REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 23-FEB-10 3LWG COMPND HP0420 HOMOLOGUE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER FELIS; SOURCE 3 ORGANISM_TAXID: 214; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PROEX-HTA AUTHOR N.-C.HA,S.PIAO >GLU.A 10 1.50 -11.39 -10.58 2.86 -12.55 -9.42 2.18 -11.97 -10.00 2 0 1000.00 -999 ? >GLY.A 11 0.36 -7.05 -13.94 0.02 -6.80 -13.21 0.19 -6.92 -13.58 1 0 1000.00 -999 ? >LEU.A 12 -3.32 -5.87 -11.18 -5.42 -5.81 -10.85 -4.37 -5.84 -11.01 3 0 1000.00 -999 ? >LEU.A 13 -2.01 -0.62 -13.51 -0.38 -1.19 -14.87 -1.20 -0.90 -14.19 3 0 1000.00 -999 ? >VAL.A 14 -5.38 -0.72 -10.30 -6.71 -1.11 -11.98 -6.04 -0.92 -11.14 3 0 1000.00 -999 ? >CYH.A 15 -7.17 -1.05 -7.00 -9.67 -1.45 -8.11 -8.42 -1.25 -7.55 2 0 1000.00 -999 ? >THR.A 16 -3.89 -1.21 -5.12 -2.56 0.28 -5.99 -3.22 -0.46 -5.55 2 0 1000.00 -999 ? >ARG.A 17 -3.40 1.38 -0.27 -3.88 3.12 2.28 -3.64 2.25 1.00 2 0 1000.00 -999 ? >LEU.A 18 -9.36 -2.79 -3.68 -11.45 -3.05 -4.15 -10.40 -2.92 -3.92 3 0 1000.00 -999 ? >ASP~A 19 -9.89 -4.73 1.80 -9.78 -6.46 3.02 -9.83 -5.60 2.41 2 0 1000.00 -999 ? >GLN~A 20 -9.21 -8.46 -3.62 -7.99 -9.93 -4.59 -8.60 -9.19 -4.11 2 0 1000.00 -999 ? >ASN~A 21 -11.42 -9.89 2.94 -9.79 -11.28 2.85 -10.61 -10.58 2.90 2 0 1000.00 -999 ? >LEU~A 22 -14.30 -5.43 2.32 -13.92 -5.13 4.45 -14.11 -5.28 3.39 3 0 1000.00 -999 ? >CYH~A 23 -15.28 -6.71 -2.05 -14.85 -5.39 -4.51 -15.07 -6.05 -3.28 2 0 1000.00 -999 ? >ALA.A 24 -14.85 -9.85 -4.35 -15.57 -9.48 -5.71 -15.21 -9.67 -5.03 2 0 1000.00 -999 ? >GLU^A 25 -12.31 -14.19 -3.76 -10.78 -13.54 -2.45 -11.55 -13.87 -3.10 2 0 1000.00 -999 ? >LEU^A 26 -9.05 -10.43 -8.73 -8.39 -9.44 -10.59 -8.72 -9.94 -9.66 3 0 1000.00 -999 ? >ILE^A 27 -11.83 -14.97 -11.38 -11.91 -16.12 -10.60 -11.87 -15.55 -10.99 3 0 1000.00 -999 ? >SER^A 28 -8.90 -13.05 -14.19 -10.75 -13.83 -15.64 -9.83 -13.44 -14.92 2 0 1000.00 -999 ? >PHE^A 29 -6.29 -8.73 -14.71 -3.64 -8.59 -13.92 -4.97 -8.66 -14.32 3 0 1000.00 -999 ? >GLY^A 30 -6.32 -8.91 -19.37 -7.18 -8.87 -19.43 -6.75 -8.89 -19.40 1 0 1000.00 -999 ? >SER.A 31 -7.24 -7.99 -22.93 -6.27 -9.94 -23.98 -6.75 -8.97 -23.45 2 0 1000.00 -999 ? >GLY.A 32 -9.84 -5.37 -21.88 -9.84 -6.18 -21.59 -9.84 -5.78 -21.73 1 0 1000.00 -999 ? >LYS^A 33 -11.76 -7.94 -19.77 -12.75 -11.99 -21.65 -12.25 -9.96 -20.71 2 0 1000.00 -999 ? >ALA^A 34 -11.91 -9.14 -16.15 -11.47 -7.98 -15.26 -11.69 -8.56 -15.71 2 0 1000.00 -999 ? >THR^A 35 -13.88 -11.48 -13.92 -14.74 -13.38 -14.58 -14.31 -12.43 -14.25 2 0 1000.00 -999 ? >VAL^A 36 -14.34 -11.23 -10.16 -14.48 -9.08 -9.72 -14.41 -10.16 -9.94 3 0 1000.00 -999 ? >CYH^A 37 -16.45 -13.47 -7.99 -17.27 -16.00 -7.17 -16.86 -14.73 -7.58 2 0 1000.00 -999 ? >LEU^A 38 -19.56 -11.06 -5.24 -20.52 -9.80 -3.64 -20.04 -10.43 -4.44 3 0 1000.00 -999 ? >THR.A 39 -19.26 -14.64 -2.27 -18.28 -16.47 -1.74 -18.77 -15.56 -2.01 2 0 1000.00 -999 ? >PRO.A 40 -23.11 -12.72 -2.01 -21.35 -13.02 -0.64 -22.23 -12.87 -1.32 3 0 1000.00 -999 ? >LYS~A 41 -20.86 -12.43 3.55 -15.16 -11.90 1.54 -18.01 -12.17 2.54 2 0 1000.00 -999 ? >GLU~A 42 -24.03 -13.50 7.62 -24.67 -14.12 9.50 -24.35 -13.81 8.56 2 0 1000.00 -999 ? >PHE~A 43 -19.13 -8.06 6.16 -17.21 -8.64 4.22 -18.17 -8.35 5.19 3 0 1000.00 -999 ? >MET.A 44 -22.73 -7.24 3.34 -20.30 -8.96 0.54 -21.52 -8.10 1.94 2 0 1000.00 -999 ? >LEU^A 45 -27.06 -8.74 4.99 -27.36 -10.83 4.57 -27.21 -9.78 4.78 3 0 1000.00 -999 ? >ALA^A 46 -28.92 -4.82 3.88 -29.36 -4.13 2.59 -29.14 -4.48 3.23 2 0 1000.00 -999 ? >GLU^A 47 -33.33 -5.76 3.40 -33.93 -4.08 4.55 -33.63 -4.92 3.98 2 0 1000.00 -999 ? >ASP.A 48 -32.88 -11.64 6.77 -33.00 -11.15 8.81 -32.94 -11.40 7.79 2 0 1000.00 -999 ? >ASP.A 49 -33.98 -12.13 2.22 -35.38 -10.52 2.38 -34.68 -11.33 2.30 2 0 1000.00 -999 ? >VAL^A 50 -30.70 -9.10 0.28 -31.71 -7.28 -0.38 -31.20 -8.19 -0.05 3 0 1000.00 -999 ? >VAL^A 51 -27.10 -8.00 -0.05 -25.25 -9.00 -0.80 -26.17 -8.50 -0.43 3 0 1000.00 -999 ? >HIS~A 52 -25.77 -2.06 1.20 -25.48 0.02 1.15 -25.62 -1.02 1.17 3 0 1000.00 -999 ? >ALA~A 53 -26.40 -2.46 -3.29 -27.36 -1.38 -3.83 -26.88 -1.92 -3.56 2 0 1000.00 -999 ? >GLY~A 54 -23.03 -1.00 -2.29 -23.24 -1.79 -2.45 -23.13 -1.40 -2.37 1 0 1000.00 -999 ? >PHE~A 55 -20.98 -5.00 0.09 -20.05 -3.99 2.56 -20.51 -4.50 1.33 3 0 1000.00 -999 ? >ILE~A 56 -24.55 -5.75 -5.76 -25.65 -6.47 -5.95 -25.10 -6.11 -5.86 3 0 1000.00 -999 ? >VAL~A 57 -22.02 -2.35 -7.36 -22.99 -0.39 -7.77 -22.51 -1.37 -7.56 3 0 1000.00 -999 ? >GLY~A 58 -18.68 -2.40 -5.55 -19.02 -3.02 -6.06 -18.85 -2.71 -5.81 1 0 1000.00 -999 ? >ALA~A 59 -17.91 -5.90 -6.94 -18.68 -7.17 -6.70 -18.29 -6.54 -6.82 2 0 1000.00 -999 ? >ALA~A 60 -18.95 -4.80 -10.43 -20.37 -4.30 -10.80 -19.66 -4.55 -10.61 2 0 1000.00 -999 ? >SER~A 61 -16.83 -1.66 -10.14 -18.21 -0.01 -9.00 -17.52 -0.84 -9.57 2 0 1000.00 -999 ? >PHE~A 62 -12.44 -5.45 -7.75 -10.07 -6.90 -7.21 -11.26 -6.18 -7.48 3 0 1000.00 -999 ? >ALA~A 63 -14.29 -5.95 -12.26 -15.55 -6.78 -12.55 -14.92 -6.36 -12.41 2 0 1000.00 -999 ? >ALA~A 64 -14.70 -2.87 -14.46 -15.84 -1.79 -14.35 -15.27 -2.33 -14.41 2 0 1000.00 -999 ? >LEU~A 65 -11.24 -0.65 -11.84 -11.80 1.31 -11.02 -11.52 0.33 -11.43 3 0 1000.00 -999 ? >CYH~A 66 -9.58 -4.39 -13.72 -9.38 -5.58 -11.16 -9.48 -4.98 -12.44 2 0 1000.00 -999 ? >ALA~A 67 -10.89 -4.82 -17.31 -12.36 -4.85 -17.72 -11.62 -4.84 -17.51 2 0 1000.00 -999 ? >LEU~A 68 -10.12 -0.06 -17.89 -9.98 1.79 -19.10 -10.05 0.87 -18.49 3 0 1000.00 -999 ? >ASN~A 69 -5.82 -3.23 -16.41 -4.05 -3.75 -15.25 -4.94 -3.49 -15.83 2 0 1000.00 -999 ? >LYS.A 70 -5.06 1.71 -16.14 -3.17 1.83 -21.24 -4.11 1.77 -18.69 2 0 1000.00 -999 ? >LYS.A 71 -3.13 3.70 -13.58 0.30 5.55 -10.20 -1.41 4.63 -11.89 2 0 1000.00 -999 ? >ASN.A 72 -4.03 8.04 -12.99 -2.01 8.25 -12.30 -3.02 8.14 -12.64 2 0 1000.00 -999 ? >SER^A 73 -8.28 5.72 -13.29 -8.31 3.34 -13.26 -8.29 4.53 -13.27 2 0 1000.00 -999 ? >LEU^A 74 -11.74 8.01 -11.20 -10.65 9.25 -9.82 -11.19 8.63 -10.51 3 0 1000.00 -999 ? >ILE^A 75 -15.97 4.41 -11.34 -16.62 3.23 -11.26 -16.29 3.82 -11.30 3 0 1000.00 -999 ? >SER^A 76 -17.02 8.66 -13.02 -16.58 8.73 -15.34 -16.80 8.70 -14.18 2 0 1000.00 -999 ? >SER^A 77 -20.53 7.33 -13.76 -20.98 7.66 -16.13 -20.75 7.49 -14.95 2 0 1000.00 -999 ? >MET^A 78 -22.67 4.26 -13.96 -22.24 2.39 -10.21 -22.45 3.32 -12.08 2 0 1000.00 -999 ? >LYS^A 79 -26.03 3.04 -15.15 -30.12 1.52 -18.94 -28.07 2.28 -17.04 2 0 1000.00 -999 ? >VAL^A 80 -26.98 -0.26 -13.41 -26.60 -0.64 -11.25 -26.79 -0.45 -12.33 3 0 1000.00 -999 ? >ASN^A 81 -30.67 -3.14 -14.43 -31.24 -1.59 -15.77 -30.95 -2.37 -15.10 2 0 1000.00 -999 ? >LEU^A 82 -30.13 -4.48 -8.74 -28.40 -3.41 -7.87 -29.27 -3.94 -8.31 3 0 1000.00 -999 ? >LEU.A 83 -31.53 -8.52 -13.03 -31.17 -7.47 -14.89 -31.35 -7.99 -13.96 3 0 1000.00 -999 ? >ALA.A 84 -32.69 -9.97 -8.71 -32.48 -11.41 -9.07 -32.58 -10.69 -8.89 2 0 1000.00 -999 ? >PRO.A 85 -34.35 -10.42 -4.70 -32.34 -9.85 -5.60 -33.35 -10.14 -5.15 3 0 1000.00 -999 ? >ILE.A 86 -27.33 -10.78 -4.71 -26.35 -10.59 -5.57 -26.84 -10.68 -5.14 3 0 1000.00 -999 ? >GLU.A 87 -30.84 -14.32 -1.46 -32.21 -15.88 -1.13 -31.53 -15.10 -1.30 2 0 1000.00 -999 ? >ILE.A 88 -26.12 -14.82 2.85 -25.54 -14.55 3.23 -25.83 -14.69 3.04 3 0 1000.00 -999 ? >LYS.A 89 -23.44 -17.02 -0.23 -21.43 -16.48 5.05 -22.43 -16.75 2.41 2 0 1000.00 -999 ? >GLN.A 90 -27.32 -16.85 -3.69 -29.05 -15.80 -4.36 -28.18 -16.32 -4.03 2 0 1000.00 -999 ? >GLU.A 91 -20.18 -18.75 -4.78 -18.84 -20.26 -5.23 -19.51 -19.51 -5.00 2 0 1000.00 -999 ? >ILE^A 92 -22.64 -12.75 -7.88 -23.99 -12.94 -8.20 -23.31 -12.84 -8.04 3 0 1000.00 -999 ? >TYR^A 93 -18.70 -16.20 -11.48 -17.69 -18.35 -10.10 -18.19 -17.28 -10.79 3 0 1000.00 -999 ? >PHE^A 94 -19.94 -8.96 -10.71 -21.85 -8.58 -8.66 -20.90 -8.77 -9.69 3 0 1000.00 -999 ? >ASN^A 95 -18.16 -11.36 -17.14 -18.22 -13.25 -16.24 -18.19 -12.31 -16.69 2 0 1000.00 -999 ? >ALA^A 96 -16.42 -6.93 -17.36 -15.57 -6.07 -16.40 -16.00 -6.50 -16.88 2 0 1000.00 -999 ? >THR^A 97 -15.61 -5.95 -21.00 -16.13 -7.47 -22.52 -15.87 -6.71 -21.76 2 0 1000.00 -999 ? >ILE^A 98 -13.01 -2.19 -23.02 -11.82 -1.35 -22.92 -12.41 -1.77 -22.97 3 0 1000.00 -999 ? >THR^A 99 -17.19 -1.60 -25.00 -19.06 -1.66 -23.87 -18.13 -1.63 -24.43 2 0 1000.00 -999 ? >HIS^A 100 -16.35 3.97 -26.91 -15.65 5.53 -28.13 -16.00 4.75 -27.52 3 0 1000.00 -999 ? >THR^A 101 -12.40 3.68 -25.18 -10.49 2.76 -24.66 -11.45 3.22 -24.92 2 0 1000.00 -999 ? >SER.A 102 -10.58 6.82 -26.28 -11.63 8.72 -25.21 -11.10 7.77 -25.75 2 0 1000.00 -999 ? >SER.A 103 -8.00 6.18 -23.54 -6.25 5.66 -25.15 -7.13 5.92 -24.35 2 0 1000.00 -999 ? >LYS.A 104 -9.12 9.26 -21.61 -10.21 12.01 -26.95 -9.66 10.64 -24.28 2 0 1000.00 -999 ? >LYS^A 105 -12.70 8.09 -21.32 -18.56 10.44 -21.48 -15.63 9.27 -21.40 2 0 1000.00 -999 ? >SER^A 106 -13.96 4.50 -21.42 -11.59 3.86 -21.43 -12.77 4.18 -21.43 2 0 1000.00 -999 ? >THR^A 107 -17.16 2.51 -21.17 -19.08 3.11 -21.92 -18.12 2.81 -21.54 2 0 1000.00 -999 ? >ILE^A 108 -16.29 -1.29 -18.30 -15.13 -1.78 -18.67 -15.71 -1.53 -18.49 3 0 1000.00 -999 ? >ARG^A 109 -23.29 -3.59 -20.81 -25.42 -3.01 -22.93 -24.36 -3.30 -21.87 2 0 1000.00 -999 ? >VAL^A 110 -20.36 -5.59 -16.62 -19.28 -5.17 -14.77 -19.82 -5.38 -15.70 3 0 1000.00 -999 ? >GLU^A 111 -23.16 -8.39 -18.63 -24.31 -9.13 -20.22 -23.73 -8.76 -19.42 2 0 1000.00 -999 ? >GLY^A 112 -23.20 -10.49 -13.04 -23.75 -10.61 -13.66 -23.48 -10.55 -13.35 1 0 1000.00 -999 ? >GLU^A 113 -24.18 -14.30 -15.59 -23.22 -15.35 -17.18 -23.70 -14.82 -16.39 2 0 1000.00 -999 ? >PHE^A 114 -26.93 -17.29 -8.41 -27.41 -19.29 -6.48 -27.17 -18.29 -7.45 3 0 1000.00 -999 ? >MET.A 115 -25.42 -20.14 -12.00 -25.17 -22.00 -9.48 -25.30 -21.07 -10.74 2 0 1000.00 -999 ? >GLU.A 116 -24.01 -20.82 -16.02 -22.38 -20.48 -17.31 -23.19 -20.65 -16.67 2 0 1000.00 -999 ? >ILE^A 117 -29.57 -17.03 -14.17 -30.74 -17.65 -13.96 -30.16 -17.34 -14.06 3 0 1000.00 -999 ? >LYS^A 118 -28.03 -12.79 -15.24 -27.70 -9.51 -20.33 -27.86 -11.15 -17.79 2 0 1000.00 -999 ? >VAL^A 119 -28.67 -11.01 -11.96 -27.94 -12.41 -10.42 -28.30 -11.71 -11.19 3 0 1000.00 -999 ? >PHE^A 120 -24.90 -6.36 -11.64 -23.67 -3.84 -11.62 -24.28 -5.10 -11.63 3 0 1000.00 -999 ? >GLU^A 121 -28.35 -5.34 -16.68 -29.57 -5.56 -18.36 -28.96 -5.45 -17.52 2 0 1000.00 -999 ? >GLY^A 122 -24.43 -2.12 -15.84 -24.03 -2.60 -16.38 -24.23 -2.36 -16.11 1 0 1000.00 -999 ? >ASP^A 123 -22.86 1.06 -19.05 -23.28 -0.21 -20.70 -23.07 0.42 -19.88 2 0 1000.00 -999 ? >PHE^A 124 -19.28 0.26 -14.24 -20.75 -1.14 -12.34 -20.02 -0.44 -13.29 3 0 1000.00 -999 ? >GLU^A 125 -17.80 7.54 -18.20 -18.94 9.34 -17.97 -18.37 8.44 -18.09 2 0 1000.00 -999 ? >ILE^A 126 -13.29 3.96 -16.31 -12.73 2.84 -15.61 -13.01 3.40 -15.96 3 0 1000.00 -999 ? >LEU^A 127 -12.17 9.70 -15.97 -13.85 10.95 -16.70 -13.01 10.32 -16.33 3 0 1000.00 -999 ? >VAL^A 128 -8.04 8.10 -16.87 -7.01 6.27 -17.53 -7.52 7.18 -17.20 3 0 1000.00 -999 ? >PHE.A 129 -7.18 11.95 -14.61 -9.90 12.28 -14.12 -8.54 12.12 -14.36 3 0 1000.00 -999 ? >ALA~B -2 -44.98 4.74 19.50 -43.99 3.67 19.06 -44.49 4.20 19.28 2 0 1000.00 -999 ? >MET~B -1 -44.05 6.25 22.88 -44.22 5.59 26.94 -44.14 5.92 24.91 2 0 1000.00 -999 ? >GLU~B 0 -38.69 3.31 22.36 -38.53 1.24 21.95 -38.61 2.27 22.15 2 0 1000.00 -999 ? >MET~B 1 -40.33 7.50 19.42 -41.20 5.77 15.69 -40.77 6.64 17.55 2 0 1000.00 -999 ? >ASN~B 2 -43.15 10.73 21.75 -44.56 10.39 20.19 -43.86 10.56 20.97 2 0 1000.00 -999 ? >MET~B 3 -39.11 10.28 24.11 -38.22 6.42 25.19 -38.67 8.35 24.65 2 0 1000.00 -999 ? >ALA.B 4 -36.64 13.00 23.23 -36.42 14.33 23.95 -36.53 13.67 23.59 2 0 1000.00 -999 ? >ASP.B 5 -33.53 9.82 25.03 -34.77 8.29 25.80 -34.15 9.05 25.41 2 0 1000.00 -999 ? >ALA.B 6 -35.57 7.77 21.23 -36.91 7.89 20.56 -36.24 7.83 20.89 2 0 1000.00 -999 ? >PRO~B 7 -33.58 4.11 20.16 -33.52 6.24 19.46 -33.55 5.18 19.81 3 0 1000.00 -999 ? >LEU~B 8 -31.72 8.21 14.83 -31.51 9.52 13.17 -31.61 8.87 14.00 3 0 1000.00 -999 ? >GLU~B 9 -30.92 3.45 13.29 -29.71 4.93 14.32 -30.32 4.19 13.81 2 0 1000.00 -999 ? >GLU~B 10 -38.39 3.98 17.57 -38.01 2.28 18.74 -38.20 3.13 18.16 2 0 1000.00 -999 ? >GLY~B 11 -39.05 4.07 12.91 -38.29 3.94 12.72 -38.67 4.00 12.82 1 0 1000.00 -999 ? >LEU~B 12 -35.30 2.72 10.24 -33.97 3.42 8.75 -34.64 3.07 9.50 3 0 1000.00 -999 ? >LEU.B 13 -39.86 0.18 7.61 -41.62 0.66 8.86 -40.74 0.42 8.24 3 0 1000.00 -999 ? >VAL.B 14 -35.61 -0.73 5.88 -36.00 0.91 4.47 -35.80 0.09 5.17 3 0 1000.00 -999 ? >CYH.B 15 -31.92 -1.70 5.99 -31.04 0.03 4.01 -31.48 -0.83 5.00 2 0 1000.00 -999 ? >THR.B 16 -32.57 -3.79 9.07 -34.31 -4.95 8.49 -33.44 -4.37 8.78 2 0 1000.00 -999 ? >ARG.B 17 -29.85 -8.71 9.80 -28.28 -11.33 9.18 -29.07 -10.02 9.49 2 0 1000.00 -999 ? >LEU.B 18 -27.57 -1.71 6.59 -26.38 -0.78 5.03 -26.98 -1.25 5.81 3 0 1000.00 -999 ? >ASP~B 19 -22.74 -3.03 9.65 -21.28 -2.31 11.01 -22.01 -2.67 10.33 2 0 1000.00 -999 ? >GLN~B 20 -25.94 2.68 10.10 -27.04 4.14 11.19 -26.49 3.41 10.64 2 0 1000.00 -999 ? >ASN~B 21 -19.24 0.65 11.18 -19.65 1.28 13.17 -19.44 0.97 12.18 2 0 1000.00 -999 ? >LEU~B 22 -19.78 -1.62 6.32 -18.80 -3.51 6.67 -19.29 -2.56 6.49 3 0 1000.00 -999 ? >CYH~B 23 -21.79 2.39 4.97 -24.25 2.58 3.62 -23.02 2.48 4.30 2 0 1000.00 -999 ? >ALA.B 24 -22.68 5.82 6.43 -23.38 6.67 5.35 -23.03 6.25 5.89 2 0 1000.00 -999 ? >GLU^B 25 -24.02 8.65 11.80 -23.65 7.40 13.52 -23.83 8.02 12.66 2 0 1000.00 -999 ? >LEU^B 26 -28.90 6.89 9.83 -30.93 6.96 9.18 -29.91 6.92 9.50 3 0 1000.00 -999 ? >ILE^B 27 -27.82 12.75 9.51 -26.78 13.09 10.37 -27.30 12.92 9.94 3 0 1000.00 -999 ? >SER^B 28 -32.19 12.10 9.55 -31.96 14.13 8.18 -32.08 13.11 8.86 2 0 1000.00 -999 ? >PHE^B 29 -35.55 8.30 8.62 -36.39 6.68 10.79 -35.97 7.49 9.71 3 0 1000.00 -999 ? >GLY^B 30 -38.88 11.30 7.21 -38.40 11.66 6.60 -38.64 11.48 6.91 1 0 1000.00 -999 ? >SER.B 31 -41.28 13.18 4.97 -41.76 14.74 6.77 -41.52 13.96 5.87 2 0 1000.00 -999 ? >GLY.B 32 -39.83 11.71 1.83 -39.31 12.00 2.40 -39.57 11.85 2.12 1 0 1000.00 -999 ? >LYS^B 33 -36.16 12.61 2.61 -37.22 18.83 2.66 -36.69 15.72 2.63 2 0 1000.00 -999 ? >ALA^B 34 -33.13 11.22 4.36 -33.16 9.70 4.32 -33.14 10.46 4.34 2 0 1000.00 -999 ? >THR^B 35 -29.58 12.31 5.07 -28.89 14.34 5.37 -29.23 13.33 5.22 2 0 1000.00 -999 ? >VAL^B 36 -26.63 10.02 5.84 -27.05 8.19 4.54 -26.84 9.11 5.19 3 0 1000.00 -999 ? >CYH^B 37 -23.00 11.06 6.38 -21.23 12.95 7.42 -22.11 12.00 6.90 2 0 1000.00 -999 ? >LEU^B 38 -19.97 8.51 3.70 -18.70 6.98 2.95 -19.33 7.74 3.33 3 0 1000.00 -999 ? >THR.B 39 -16.57 9.77 6.55 -16.04 10.93 8.26 -16.31 10.35 7.41 2 0 1000.00 -999 ? >PRO.B 40 -14.93 8.78 2.64 -14.82 7.94 4.74 -14.87 8.36 3.69 3 0 1000.00 -999 ? >LYS~B 41 -12.23 4.95 6.36 -16.02 6.47 9.35 -14.12 5.71 7.85 2 0 1000.00 -999 ? >GLU~B 42 -7.38 4.04 6.83 -5.58 3.85 7.85 -6.48 3.95 7.34 2 0 1000.00 -999 ? >PHE~B 43 -12.87 -0.46 6.00 -15.35 0.46 6.95 -14.11 0.00 6.48 3 0 1000.00 -999 ? >MET.B 44 -13.03 1.85 1.97 -16.00 3.95 3.85 -14.51 2.90 2.91 2 0 1000.00 -999 ? >LEU^B 45 -8.75 3.26 0.15 -8.20 5.19 0.94 -8.48 4.22 0.55 3 0 1000.00 -999 ? >ALA^B 46 -9.65 1.54 -3.89 -10.53 1.89 -5.12 -10.09 1.72 -4.50 2 0 1000.00 -999 ? >GLU^B 47 -7.05 3.83 -6.83 -6.01 2.20 -7.74 -6.53 3.01 -7.29 2 0 1000.00 -999 ? >ASP.B 48 -2.98 6.23 -2.02 -1.48 4.78 -1.95 -2.23 5.50 -1.98 2 0 1000.00 -999 ? >ASP.B 49 -5.72 9.91 -3.47 -3.81 10.23 -2.71 -4.77 10.07 -3.09 2 0 1000.00 -999 ? >VAL^B 50 -9.61 7.23 -4.11 -9.75 7.15 -6.31 -9.68 7.19 -5.21 3 0 1000.00 -999 ? >VAL^B 51 -12.56 5.81 -2.13 -13.79 6.50 -0.43 -13.18 6.16 -1.28 3 0 1000.00 -999 ? >HIS~B 52 -14.33 0.32 -4.22 -14.93 -1.23 -5.50 -14.63 -0.46 -4.86 3 0 1000.00 -999 ? >ALA~B 53 -17.19 3.42 -5.79 -17.44 3.28 -7.36 -17.31 3.35 -6.57 2 0 1000.00 -999 ? >GLY~B 54 -18.97 0.68 -3.89 -18.67 1.43 -3.60 -18.82 1.06 -3.74 1 0 1000.00 -999 ? >PHE~B 55 -17.12 1.66 0.79 -16.31 -0.85 1.64 -16.72 0.41 1.22 3 0 1000.00 -999 ? >ILE~B 56 -19.15 6.73 -3.59 -18.71 7.98 -3.04 -18.93 7.35 -3.32 3 0 1000.00 -999 ? >VAL~B 57 -22.81 4.40 -4.17 -23.20 3.69 -6.18 -23.00 4.05 -5.18 3 0 1000.00 -999 ? >GLY~B 58 -23.53 2.28 -1.07 -23.53 3.09 -1.15 -23.53 2.68 -1.11 1 0 1000.00 -999 ? >ALA~B 59 -23.93 5.39 1.11 -22.81 6.43 1.36 -23.37 5.91 1.24 2 0 1000.00 -999 ? >ALA~B 60 -26.23 6.99 -1.48 -25.84 7.37 -2.92 -26.04 7.18 -2.20 2 0 1000.00 -999 ? >SER~B 61 -28.23 3.71 -1.71 -27.06 2.23 -3.26 -27.65 2.97 -2.49 2 0 1000.00 -999 ? >PHE~B 62 -28.02 3.73 4.50 -28.56 3.73 7.25 -28.29 3.73 5.88 3 0 1000.00 -999 ? >ALA~B 63 -30.03 7.36 2.01 -29.28 8.61 1.53 -29.65 7.99 1.77 2 0 1000.00 -999 ? >ALA~B 64 -32.36 6.53 -0.94 -31.96 6.00 -2.31 -32.16 6.27 -1.63 2 0 1000.00 -999 ? >LEU~B 65 -33.21 2.25 1.23 -33.28 0.36 0.02 -33.25 1.30 0.62 3 0 1000.00 -999 ? >CYH~B 66 -34.39 5.61 4.09 -32.27 4.89 5.72 -33.33 5.25 4.90 2 0 1000.00 -999 ? >ALA~B 67 -36.08 8.49 2.18 -35.51 9.21 0.95 -35.79 8.85 1.56 2 0 1000.00 -999 ? >LEU~B 68 -38.81 5.22 -0.20 -40.39 4.51 -1.48 -39.60 4.86 -0.84 3 0 1000.00 -999 ? >ASN~B 69 -38.86 4.95 5.39 -38.72 3.89 7.23 -38.79 4.42 6.31 2 0 1000.00 -999 ? >LYS.B 70 -41.17 1.37 2.82 -44.67 4.11 0.09 -42.92 2.74 1.45 2 0 1000.00 -999 ? >LYS.B 71 -41.19 -2.18 4.22 -44.99 -0.95 8.09 -43.09 -1.57 6.16 2 0 1000.00 -999 ? >ASN.B 72 -41.63 -5.46 1.44 -42.28 -6.75 2.98 -41.95 -6.11 2.21 2 0 1000.00 -999 ? >SER^B 73 -38.50 -2.39 -0.65 -37.87 -0.48 0.73 -38.18 -1.44 0.04 2 0 1000.00 -999 ? >LEU^B 74 -34.72 -4.18 -2.74 -35.35 -5.54 -4.28 -35.03 -4.86 -3.51 3 0 1000.00 -999 ? >ILE^B 75 -31.70 -0.40 -4.82 -31.67 1.09 -4.85 -31.69 0.34 -4.83 3 0 1000.00 -999 ? >SER^B 76 -33.85 -1.99 -8.55 -35.81 -0.80 -9.33 -34.83 -1.39 -8.94 2 0 1000.00 -999 ? >SER^B 77 -31.86 0.43 -10.75 -32.05 1.14 -13.03 -31.95 0.78 -11.89 2 0 1000.00 -999 ? >MET^B 78 -29.67 3.51 -10.58 -26.55 2.28 -8.08 -28.11 2.89 -9.33 2 0 1000.00 -999 ? >LYS^B 79 -28.04 6.16 -12.76 -31.07 4.32 -16.73 -29.55 5.24 -14.74 2 0 1000.00 -999 ? >VAL^B 80 -25.28 7.91 -10.94 -24.96 6.30 -9.44 -25.12 7.11 -10.19 3 0 1000.00 -999 ? >ASN^B 81 -22.83 11.84 -12.10 -23.87 11.69 -13.99 -23.35 11.76 -13.05 2 0 1000.00 -999 ? >LEU^B 82 -18.58 9.03 -9.03 -19.17 6.98 -8.38 -18.87 8.01 -8.71 3 0 1000.00 -999 ? >LEU.B 83 -19.32 15.17 -9.43 -21.23 15.55 -10.34 -20.28 15.36 -9.89 3 0 1000.00 -999 ? >ALA.B 84 -15.17 13.97 -7.84 -15.14 15.23 -6.92 -15.15 14.60 -7.38 2 0 1000.00 -999 ? >PRO.B 85 -11.03 12.66 -7.47 -13.04 11.98 -6.66 -12.04 12.32 -7.06 3 0 1000.00 -999 ? >ILE.B 86 -14.53 10.71 -1.89 -15.20 11.88 -1.51 -14.86 11.30 -1.70 3 0 1000.00 -999 ? >GLU.B 87 -8.70 12.09 -1.33 -7.31 13.65 -1.19 -8.01 12.87 -1.26 2 0 1000.00 -999 ? >ILE.B 88 -9.21 8.62 4.29 -8.35 8.76 4.45 -8.78 8.69 4.37 3 0 1000.00 -999 ? >LYS.B 89 -11.44 11.84 6.25 -6.84 13.15 10.18 -9.14 12.50 8.22 2 0 1000.00 -999 ? >GLN.B 90 -12.44 14.59 1.78 -12.86 14.81 -0.34 -12.65 14.70 0.72 2 0 1000.00 -999 ? >GLU.B 91 -17.08 14.72 7.78 -18.08 15.75 9.35 -17.58 15.23 8.57 2 0 1000.00 -999 ? >ILE^B 92 -19.53 12.51 1.47 -18.87 13.29 0.39 -19.20 12.90 0.93 3 0 1000.00 -999 ? >TYR^B 93 -23.52 15.86 5.15 -22.67 16.29 7.72 -23.09 16.08 6.43 3 0 1000.00 -999 ? >PHE^B 94 -24.40 10.41 0.25 -21.83 9.65 -0.79 -23.11 10.03 -0.27 3 0 1000.00 -999 ? >ASN^B 95 -29.39 15.48 0.82 -27.96 16.43 2.12 -28.67 15.96 1.47 2 0 1000.00 -999 ? >ALA^B 96 -32.09 11.80 -0.66 -32.24 10.33 -0.23 -32.17 11.06 -0.45 2 0 1000.00 -999 ? >THR^B 97 -35.46 13.15 -1.75 -35.71 15.36 -1.76 -35.59 14.26 -1.76 2 0 1000.00 -999 ? >ILE^B 98 -39.59 10.72 -2.70 -40.59 9.69 -2.31 -40.09 10.20 -2.50 3 0 1000.00 -999 ? >THR^B 99 -39.01 12.64 -6.82 -37.08 12.59 -7.81 -38.05 12.61 -7.32 2 0 1000.00 -999 ? >HIS^B 100 -41.05 10.90 -10.43 -40.33 12.42 -11.68 -40.69 11.66 -11.05 3 0 1000.00 -999 ? >THR^B 101 -43.79 7.65 -6.29 -44.41 7.79 -4.15 -44.10 7.72 -5.22 2 0 1000.00 -999 ? >SER.B 102 -46.51 5.10 -6.80 -45.78 3.52 -8.45 -46.15 4.31 -7.62 2 0 1000.00 -999 ? >SER.B 103 -47.72 2.11 -4.83 -49.13 0.16 -4.55 -48.43 1.14 -4.69 2 0 1000.00 -999 ? >LYS.B 104 -45.39 -0.10 -6.85 -50.95 0.30 -7.11 -48.17 0.10 -6.98 2 0 1000.00 -999 ? >LYS^B 105 -42.27 1.94 -7.66 -39.90 3.07 -13.46 -41.09 2.50 -10.56 2 0 1000.00 -999 ? >SER^B 106 -40.47 5.14 -6.63 -41.69 5.14 -4.49 -41.08 5.14 -5.56 2 0 1000.00 -999 ? >THR^B 107 -37.60 7.29 -7.95 -37.28 7.70 -10.03 -37.44 7.50 -8.99 2 0 1000.00 -999 ? >ILE^B 108 -34.97 8.03 -4.08 -35.76 7.89 -3.51 -35.37 7.96 -3.80 3 0 1000.00 -999 ? >ARG^B 109 -31.20 13.71 -8.13 -32.60 15.08 -10.52 -31.90 14.40 -9.32 2 0 1000.00 -999 ? >VAL^B 110 -29.63 11.70 -4.07 -29.05 9.94 -2.81 -29.34 10.82 -3.44 3 0 1000.00 -999 ? >GLU^B 111 -28.38 16.27 -4.97 -28.63 18.32 -5.22 -28.50 17.29 -5.09 2 0 1000.00 -999 ? >GLY^B 112 -23.74 14.03 -2.07 -23.84 14.75 -2.61 -23.79 14.39 -2.34 1 0 1000.00 -999 ? >GLU^B 113 -24.16 18.57 -1.22 -25.24 20.25 -0.53 -24.70 19.41 -0.88 2 0 1000.00 -999 ? >PHE^B 114 -16.09 17.74 0.59 -13.68 18.26 2.00 -14.88 18.00 1.29 3 0 1000.00 -999 ? >MET.B 115 -18.56 21.24 2.50 -16.54 20.83 5.01 -17.55 21.04 3.75 2 0 1000.00 -999 ? >GLU.B 116 -22.44 23.63 2.59 -23.02 25.51 3.35 -22.73 24.57 2.97 2 0 1000.00 -999 ? >ILE^B 117 -18.67 21.63 -3.00 -17.52 22.30 -3.25 -18.09 21.96 -3.13 3 0 1000.00 -999 ? >LYS^B 118 -21.93 18.75 -4.88 -26.11 18.97 -9.09 -24.02 18.86 -6.98 2 0 1000.00 -999 ? >VAL^B 119 -19.60 15.78 -5.48 -18.45 15.87 -3.61 -19.03 15.82 -4.55 3 0 1000.00 -999 ? >PHE^B 120 -23.00 10.85 -5.46 -24.60 8.66 -6.07 -23.80 9.76 -5.76 3 0 1000.00 -999 ? >GLU^B 121 -25.44 13.96 -10.19 -25.39 15.78 -11.32 -25.42 14.87 -10.75 2 0 1000.00 -999 ? >GLY^B 122 -27.79 9.89 -8.71 -28.29 10.43 -8.33 -28.04 10.16 -8.52 1 0 1000.00 -999 ? >ASP^B 123 -32.14 9.10 -10.58 -32.31 11.21 -10.82 -32.23 10.16 -10.70 2 0 1000.00 -999 ? >PHE^B 124 -30.53 5.45 -5.97 -27.82 5.89 -5.54 -29.18 5.67 -5.76 3 0 1000.00 -999 ? >GLU^B 125 -35.95 3.81 -10.93 -36.19 3.12 -12.90 -36.07 3.47 -11.91 2 0 1000.00 -999 ? >ILE^B 126 -36.96 2.09 -4.38 -36.45 2.28 -2.98 -36.71 2.19 -3.68 3 0 1000.00 -999 ? >LEU^B 127 -39.28 -2.55 -6.86 -39.30 -2.43 -9.02 -39.29 -2.49 -7.94 3 0 1000.00 -999 ? >VAL^B 128 -41.90 -2.48 -3.15 -42.85 -1.07 -1.83 -42.37 -1.77 -2.49 3 0 1000.00 -999 ? >PHE.B 129 -40.95 -6.94 -4.24 -39.37 -6.45 -6.44 -40.16 -6.69 -5.34 3 0 1000.00 -999 ? >GLU.B 130 -47.05 -9.56 -2.93 -48.87 -10.74 -2.82 -47.96 -10.15 -2.88 2 0 1000.00 -999 ? >LYS.B 131 -43.80 -11.25 -0.27 -46.32 -14.77 -4.79 -45.06 -13.01 -2.53 2 0 1000.00 -999 ? >ARG.B 132 -39.53 -9.14 1.98 -37.62 -7.69 3.89 -38.58 -8.41 2.93 2 0 1000.00 -999 ? >PRO~B 133 -37.82 -15.77 1.55 -38.78 -13.74 1.63 -38.30 -14.75 1.59 3 0 1000.00 -999 ? >PHE~B 134 -36.73 -8.96 -1.11 -37.11 -6.58 0.33 -36.92 -7.77 -0.39 3 0 1000.00 -999 ? >LYS~B 135 -36.72 -14.13 -3.92 -34.87 -19.37 -0.84 -35.79 -16.75 -2.38 2 0 1000.00 -999 ? >PHE~B 136 -40.90 -16.55 -1.65 -40.11 -18.63 0.09 -40.50 -17.59 -0.78 3 0 1000.00 -999 ? >ASN~B 137 -41.06 -10.93 -5.50 -41.86 -10.61 -3.57 -41.46 -10.77 -4.53 2 0 1000.00 -999 ? >PHE~B 138 -37.39 -11.61 -8.37 -36.99 -8.96 -7.58 -37.19 -10.28 -7.98 3 0 1000.00 -999 ?