REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-NOV-09 3KQ5 COMPND HYPOTHETICAL CYTOSOLIC PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; SOURCE 3 ORGANISM_TAXID: 777; SOURCE 4 GENE: CBU_0560; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,M.FREEMAN,K.T.BAIN,S.CHANG,S.OZYURT,S.WASSERMAN, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (NYSGXRC) >ASN.A 13 -28.51 1.28 15.13 -28.26 1.40 13.03 -28.39 1.34 14.08 2 0 1000.00 -999 ? >GLN.A 14 -26.41 -3.87 19.58 -26.64 -6.00 19.52 -26.53 -4.93 19.55 2 0 1000.00 -999 ? >PHE.A 15 -23.91 2.08 19.02 -25.20 3.74 17.20 -24.55 2.91 18.11 3 0 1000.00 -999 ? >TYR.A 16 -18.12 -3.20 21.52 -16.56 -4.85 23.16 -17.34 -4.03 22.34 3 0 1000.00 -999 ? >PRO.A 18 -17.03 0.86 26.92 -17.11 -1.23 25.99 -17.07 -0.19 26.45 3 0 1000.00 -999 ? >GLY.A 19 -15.70 -4.76 27.88 -16.24 -4.81 27.33 -15.97 -4.78 27.60 1 0 1000.00 -999 ? >MET.A 20 -18.55 -6.99 26.68 -22.45 -5.69 27.34 -20.50 -6.34 27.01 2 0 1000.00 -999 ? >LEU.A 21 -18.01 -11.59 25.61 -16.60 -12.05 27.20 -17.30 -11.82 26.41 3 0 1000.00 -999 ? >VAL^A 22 -19.09 -10.69 21.22 -18.68 -9.14 19.69 -18.88 -9.92 20.46 3 0 1000.00 -999 ? >PRO^A 23 -22.33 -13.36 19.71 -20.08 -13.37 20.04 -21.20 -13.36 19.88 3 0 1000.00 -999 ? >VAL.A 24 -18.26 -15.34 16.71 -16.21 -15.98 16.56 -17.24 -15.66 16.63 3 0 1000.00 -999 ? >PHE.A 25 -22.12 -14.33 14.26 -23.64 -13.02 16.20 -22.88 -13.68 15.23 3 0 1000.00 -999 ? >SER~A 26 -19.84 -18.19 10.59 -21.81 -19.61 10.20 -20.83 -18.90 10.39 2 0 1000.00 -999 ? >ALA~A 27 -20.26 -16.44 7.23 -19.37 -16.51 6.03 -19.82 -16.47 6.63 2 0 1000.00 -999 ? >ALA~A 28 -23.29 -18.69 6.65 -23.36 -20.20 6.75 -23.33 -19.45 6.70 2 0 1000.00 -999 ? >GLY~A 29 -24.75 -17.35 9.92 -24.43 -16.90 9.29 -24.59 -17.12 9.60 1 0 1000.00 -999 ? >LEU~A 30 -22.69 -13.10 8.89 -21.37 -12.64 10.49 -22.03 -12.87 9.69 3 0 1000.00 -999 ? >LEU~A 31 -24.54 -14.52 4.34 -23.03 -13.08 3.64 -23.78 -13.80 3.99 3 0 1000.00 -999 ? >LYS.A 32 -28.71 -16.03 6.21 -28.84 -15.47 11.55 -28.77 -15.75 8.88 2 0 1000.00 -999 ? >ASN~A 33 -31.07 -11.70 6.37 -32.96 -10.76 6.29 -32.02 -11.23 6.33 2 0 1000.00 -999 ? >GLY~A 34 -33.04 -13.09 2.55 -32.57 -12.53 2.88 -32.81 -12.81 2.71 1 0 1000.00 -999 ? >ARG~A 35 -34.06 -7.58 1.40 -36.35 -5.50 1.69 -35.20 -6.54 1.55 2 0 1000.00 -999 ? >TYR~A 36 -26.99 -10.29 3.93 -26.48 -8.59 6.08 -26.74 -9.44 5.01 3 0 1000.00 -999 ? >GLN~A 37 -29.23 -15.86 1.13 -27.22 -16.47 0.71 -28.22 -16.17 0.92 2 0 1000.00 -999 ? >PHE~A 38 -32.95 -10.08 -3.72 -34.33 -8.91 -5.89 -33.64 -9.49 -4.81 3 0 1000.00 -999 ? >LEU~A 39 -27.29 -8.54 -1.95 -25.37 -7.57 -1.68 -26.33 -8.05 -1.82 3 0 1000.00 -999 ? >LEU~A 40 -25.51 -13.50 -3.23 -23.91 -13.69 -1.79 -24.71 -13.59 -2.51 3 0 1000.00 -999 ? >GLN~A 41 -30.93 -12.94 -6.80 -32.77 -13.98 -7.26 -31.85 -13.46 -7.03 2 0 1000.00 -999 ? >GLN~A 42 -30.27 -8.48 -7.21 -31.34 -7.56 -8.79 -30.80 -8.02 -8.00 2 0 1000.00 -999 ? >ILE~A 43 -23.57 -9.86 -6.89 -22.56 -8.74 -6.74 -23.06 -9.30 -6.82 3 0 1000.00 -999 ? >GLU~A 44 -24.82 -15.28 -10.89 -25.55 -17.21 -10.50 -25.19 -16.25 -10.69 2 0 1000.00 -999 ? >THR~A 45 -26.60 -11.40 -12.74 -28.74 -11.22 -13.03 -27.67 -11.31 -12.89 2 0 1000.00 -999 ? >LEU~A 46 -24.31 -7.13 -11.84 -25.84 -5.65 -11.39 -25.07 -6.39 -11.62 3 0 1000.00 -999 ? >SER~A 47 -21.25 -10.42 -13.02 -21.41 -12.81 -12.50 -21.33 -11.61 -12.76 2 0 1000.00 -999 ? >LEU~A 48 -21.18 -10.76 -17.55 -22.30 -9.14 -18.54 -21.74 -9.95 -18.04 3 0 1000.00 -999 ? >LEU.A 49 -19.30 -15.02 -14.11 -17.31 -14.04 -13.99 -18.31 -14.53 -14.05 3 0 1000.00 -999 ? >PRO~A 50 -19.82 -18.99 -17.10 -21.11 -17.90 -15.58 -20.47 -18.45 -16.34 3 0 1000.00 -999 ? >THR~A 51 -22.50 -19.87 -11.99 -24.29 -20.79 -11.08 -23.39 -20.33 -11.54 2 0 1000.00 -999 ? >GLN~A 53 -15.73 -19.09 -14.03 -16.41 -21.10 -14.49 -16.07 -20.09 -14.26 2 0 1000.00 -999 ? >TYR~A 54 -21.67 -15.69 -8.94 -22.87 -15.10 -6.49 -22.27 -15.39 -7.72 3 0 1000.00 -999 ? >ALA~A 55 -19.22 -18.86 -7.02 -19.74 -20.36 -7.04 -19.48 -19.61 -7.03 2 0 1000.00 -999 ? >GLN~A 56 -13.26 -19.61 -8.58 -12.56 -20.05 -10.59 -12.91 -19.83 -9.58 2 0 1000.00 -999 ? >LEU~A 57 -14.69 -14.71 -9.02 -12.83 -15.00 -10.22 -13.76 -14.85 -9.62 3 0 1000.00 -999 ? >TYR~A 58 -18.60 -11.82 -7.98 -18.26 -9.97 -10.05 -18.43 -10.89 -9.02 3 0 1000.00 -999 ? >GLU~A 59 -21.25 -17.14 -3.02 -22.58 -18.63 -3.65 -21.92 -17.88 -3.33 2 0 1000.00 -999 ? >ALA~A 60 -16.16 -16.89 -2.15 -15.08 -17.69 -2.88 -15.62 -17.29 -2.52 2 0 1000.00 -999 ? >LEU~A 61 -14.76 -12.33 -2.97 -13.82 -10.50 -2.66 -14.29 -11.42 -2.82 3 0 1000.00 -999 ? >VAL~A 62 -18.07 -12.20 0.03 -20.02 -11.48 -0.44 -19.04 -11.84 -0.20 3 0 1000.00 -999 ? >TYR~A 63 -19.85 -16.95 1.93 -22.59 -17.56 1.69 -21.22 -17.25 1.81 3 0 1000.00 -999 ? >ARG~A 64 -11.92 -16.60 0.71 -8.81 -16.67 0.51 -10.37 -16.63 0.61 2 0 1000.00 -999 ? >PHE~A 65 -15.80 -8.60 3.16 -16.58 -6.03 4.02 -16.19 -7.31 3.59 3 0 1000.00 -999 ? >VAL~A 66 -17.76 -11.32 6.13 -19.67 -11.92 5.12 -18.72 -11.62 5.62 3 0 1000.00 -999 ? >GLU~A 67 -15.84 -16.52 7.33 -14.84 -17.88 6.03 -15.34 -17.20 6.68 2 0 1000.00 -999 ? >PHE~A 68 -10.92 -10.60 7.63 -8.53 -9.25 8.28 -9.73 -9.93 7.95 3 0 1000.00 -999 ? >VAL~A 69 -14.83 -8.56 9.52 -15.42 -7.32 7.79 -15.12 -7.94 8.66 3 0 1000.00 -999 ? >GLN~A 70 -16.12 -12.07 12.65 -17.23 -13.91 12.68 -16.68 -12.99 12.67 2 0 1000.00 -999 ? >VAL.A 71 -19.92 -7.72 13.11 -21.06 -8.85 14.65 -20.49 -8.28 13.88 3 0 1000.00 -999 ? >LEU.A 72 -15.71 -5.28 13.24 -14.22 -6.22 14.39 -14.96 -5.75 13.81 3 0 1000.00 -999 ? >PRO.A 73 -17.64 -1.27 15.44 -18.01 -2.20 13.43 -17.82 -1.74 14.43 3 0 1000.00 -999 ? >ILE.A 74 -17.17 1.63 9.56 -17.49 2.02 8.23 -17.33 1.83 8.90 3 0 1000.00 -999 ? >ARG.A 75 -14.82 6.40 12.08 -15.98 6.33 9.25 -15.40 6.36 10.66 2 0 1000.00 -999 ? >LEU.A 76 -14.92 2.13 18.37 -13.81 0.21 18.61 -14.36 1.17 18.49 3 0 1000.00 -999 ? >ASP.A 77 -18.52 6.29 17.80 -17.83 7.24 16.02 -18.17 6.76 16.91 2 0 1000.00 -999 ? >GLU.A 78 -19.50 4.44 12.67 -21.03 5.79 12.04 -20.27 5.12 12.36 2 0 1000.00 -999 ? >PRO.A 79 -24.57 1.88 13.25 -22.87 1.00 14.48 -23.72 1.44 13.87 3 0 1000.00 -999 ? >LEU.A 80 -22.84 -4.21 15.82 -21.71 -4.81 17.60 -22.27 -4.51 16.71 3 0 1000.00 -999 ? >CYH~A 81 -22.34 -4.92 11.32 -24.25 -6.77 12.32 -23.30 -5.84 11.82 2 0 1000.00 -999 ? >SER~A 82 -21.53 -1.57 9.68 -20.34 -0.06 11.27 -20.94 -0.81 10.47 2 0 1000.00 -999 ? >LEU~A 83 -16.99 -3.42 9.04 -14.91 -2.76 8.68 -15.95 -3.09 8.86 3 0 1000.00 -999 ? >MET~A 84 -19.74 -5.75 6.42 -21.85 -9.00 8.38 -20.80 -7.37 7.40 2 0 1000.00 -999 ? >ASN~A 85 -24.11 -3.50 6.34 -25.18 -5.14 7.19 -24.65 -4.32 6.76 2 0 1000.00 -999 ? >GLU~A 86 -21.55 1.11 5.65 -22.36 2.81 4.61 -21.96 1.96 5.13 2 0 1000.00 -999 ? >GLY~A 87 -18.89 -3.03 2.18 -19.75 -2.99 2.16 -19.32 -3.01 2.17 1 0 1000.00 -999 ? >LEU~A 88 -22.55 -6.04 1.28 -22.29 -8.13 1.62 -22.42 -7.09 1.45 3 0 1000.00 -999 ? >LEU~A 89 -24.39 -0.95 0.70 -26.35 -1.09 1.70 -25.37 -1.02 1.20 3 0 1000.00 -999 ? >ARG~A 90 -17.57 1.98 -0.88 -17.01 0.95 1.94 -17.29 1.46 0.53 2 0 1000.00 -999 ? >GLY~A 91 -19.91 -3.07 -3.83 -20.62 -2.72 -3.77 -20.26 -2.89 -3.80 1 0 1000.00 -999 ? >VAL~A 92 -23.36 -3.88 -5.23 -25.43 -4.55 -4.57 -24.40 -4.21 -4.90 3 0 1000.00 -999 ? >ASN~A 93 -25.02 0.61 -4.47 -26.77 -0.09 -3.53 -25.90 0.26 -4.00 2 0 1000.00 -999 ? >SER~A 94 -21.34 1.06 -7.20 -19.95 1.92 -5.43 -20.64 1.49 -6.31 2 0 1000.00 -999 ? >LEU~A 95 -21.20 -3.37 -9.14 -20.85 -5.14 -10.38 -21.02 -4.26 -9.76 3 0 1000.00 -999 ? >ASN~A 96 -26.17 -1.48 -9.63 -27.97 -0.96 -10.69 -27.07 -1.22 -10.16 2 0 1000.00 -999 ? >HIS~A 97 -24.30 4.82 -10.55 -24.70 6.78 -11.18 -24.50 5.80 -10.86 3 0 1000.00 -999 ? >TYR~A 98 -18.75 1.29 -13.48 -16.54 1.42 -15.16 -17.64 1.36 -14.32 3 0 1000.00 -999 ? >ILE~A 99 -23.39 -2.01 -14.97 -23.45 -3.41 -14.93 -23.42 -2.71 -14.95 3 0 1000.00 -999 ? >GLN~A 100 -27.58 3.50 -14.98 -28.67 4.20 -13.26 -28.13 3.85 -14.12 2 0 1000.00 -999 ? >ASN~A 101 -22.40 5.21 -16.31 -23.55 6.64 -15.23 -22.98 5.92 -15.77 2 0 1000.00 -999 ? >HIS~A 102 -19.10 3.06 -17.88 -18.42 4.96 -17.31 -18.76 4.01 -17.59 3 0 1000.00 -999 ? >PRO.A 103 -24.13 0.71 -21.83 -22.81 -0.40 -20.32 -23.47 0.16 -21.08 3 0 1000.00 -999 ? >GLU.A 104 -18.41 -0.36 -22.92 -19.45 1.27 -22.02 -18.93 0.45 -22.47 2 0 1000.00 -999 ? >ALA.A 105 -18.09 -2.78 -18.90 -18.55 -2.38 -17.49 -18.32 -2.58 -18.19 2 0 1000.00 -999 ? >THR~A 106 -16.18 -6.11 -19.17 -14.12 -5.64 -19.73 -15.15 -5.87 -19.45 2 0 1000.00 -999 ? >PRO~A 107 -16.98 -10.43 -18.57 -16.45 -8.60 -17.34 -16.71 -9.51 -17.96 3 0 1000.00 -999 ? >LEU~A 108 -11.70 -8.14 -16.06 -9.82 -8.23 -14.97 -10.76 -8.18 -15.52 3 0 1000.00 -999 ? >GLU~A 109 -13.36 -3.20 -16.96 -14.03 -1.66 -18.30 -13.69 -2.43 -17.63 2 0 1000.00 -999 ? >ARG~A 110 -19.80 -6.54 -15.50 -22.23 -5.77 -17.29 -21.01 -6.16 -16.40 2 0 1000.00 -999 ? >TYR~A 111 -13.91 -9.90 -9.87 -13.01 -11.41 -7.74 -13.46 -10.65 -8.81 3 0 1000.00 -999 ? >ALA~A 112 -12.56 -5.14 -10.05 -11.76 -4.47 -11.20 -12.16 -4.81 -10.63 2 0 1000.00 -999 ? >LEU~A 113 -16.13 -1.80 -9.99 -17.16 0.07 -9.50 -16.64 -0.87 -9.74 3 0 1000.00 -999 ? >PHE~A 114 -18.49 -6.86 -6.20 -19.64 -8.06 -3.95 -19.06 -7.46 -5.07 3 0 1000.00 -999 ? >SER~A 115 -14.10 -6.09 -4.99 -12.28 -6.44 -6.61 -13.19 -6.26 -5.80 2 0 1000.00 -999 ? >ALA~A 116 -12.79 -2.58 -4.54 -12.37 -1.58 -5.61 -12.58 -2.08 -5.08 2 0 1000.00 -999 ? >GLY~A 117 -16.08 -1.31 -3.11 -15.66 -2.02 -2.92 -15.87 -1.66 -3.02 1 0 1000.00 -999 ? >LEU~A 118 -16.44 -5.81 -1.35 -17.31 -7.55 -0.38 -16.87 -6.68 -0.86 3 0 1000.00 -999 ? >LEU~A 119 -11.79 -5.09 -0.18 -11.91 -7.23 -0.33 -11.85 -6.16 -0.26 3 0 1000.00 -999 ? >LEU~A 120 -13.36 0.47 0.23 -12.82 2.56 -0.28 -13.09 1.51 -0.03 3 0 1000.00 -999 ? >GLU.A 121 -14.12 1.46 4.58 -16.07 2.10 5.13 -15.09 1.78 4.85 2 0 1000.00 -999 ? >VAL.A 122 -11.07 -3.80 5.37 -10.25 -5.50 4.30 -10.66 -4.65 4.84 3 0 1000.00 -999 ? >ALA~A 123 -7.97 -2.36 7.11 -7.00 -1.35 6.54 -7.49 -1.85 6.82 2 0 1000.00 -999 ? >HIS~A 124 -11.72 0.83 8.91 -11.90 2.68 7.93 -11.81 1.75 8.42 3 0 1000.00 -999 ? >ALA~A 125 -10.34 -4.64 11.27 -10.62 -5.90 10.44 -10.48 -5.27 10.86 2 0 1000.00 -999 ? >VAL~A 126 -6.63 -4.14 11.99 -4.99 -4.98 10.77 -5.81 -4.56 11.38 3 0 1000.00 -999 ? >VAL~A 127 -6.17 -0.49 12.89 -6.11 0.62 11.00 -6.14 0.06 11.95 3 0 1000.00 -999 ? >ASN~A 128 -10.59 0.49 14.45 -10.84 1.98 12.88 -10.72 1.23 13.66 2 0 1000.00 -999 ? >GLN^A 129 -10.92 -3.57 16.94 -11.51 -2.71 15.11 -11.22 -3.14 16.03 2 0 1000.00 -999 ? >LYS^A 130 -7.14 -5.41 18.86 -0.94 -4.16 19.93 -4.04 -4.79 19.40 2 0 1000.00 -999 ? >ILE^A 131 -9.93 -9.08 18.04 -11.26 -8.72 18.10 -10.60 -8.90 18.07 3 0 1000.00 -999 ? >PHE^A 132 -7.68 -9.12 24.06 -5.57 -7.42 24.69 -6.63 -8.27 24.38 3 0 1000.00 -999 ? >ILE^A 133 -9.63 -15.26 21.08 -9.51 -15.81 20.03 -9.57 -15.54 20.55 3 0 1000.00 -999 ? >THR^A 134 -11.75 -15.17 25.30 -12.90 -13.38 25.71 -12.32 -14.27 25.50 2 0 1000.00 -999 ? >ASP.A 135 -13.08 -18.91 28.15 -12.90 -17.93 30.05 -12.99 -18.42 29.10 2 0 1000.00 -999 ? >GLU.A 136 -18.03 -19.92 29.03 -16.97 -21.45 28.00 -17.50 -20.68 28.51 2 0 1000.00 -999 ? >GLU.A 137 -16.22 -17.52 33.38 -18.13 -18.07 32.69 -17.18 -17.79 33.04 2 0 1000.00 -999 ? >GLY.A 138 -13.99 -13.32 29.51 -13.62 -13.96 29.82 -13.80 -13.64 29.66 1 0 1000.00 -999 ? >ASN.A 139 -10.23 -16.08 31.04 -10.97 -16.18 33.02 -10.60 -16.13 32.03 2 0 1000.00 -999 ? >PHE^A 140 -5.81 -13.01 26.74 -3.89 -12.85 24.76 -4.85 -12.93 25.75 3 0 1000.00 -999 ? >ILE^A 141 -8.07 -17.88 24.81 -8.89 -18.97 24.56 -8.48 -18.43 24.68 3 0 1000.00 -999 ? >LYS^A 142 -5.11 -15.48 22.68 -6.89 -20.23 19.57 -6.00 -17.86 21.12 2 0 1000.00 -999 ? >GLN^A 143 -3.78 -9.98 20.05 -2.17 -8.85 20.78 -2.98 -9.42 20.42 2 0 1000.00 -999 ? >TRP.A 144 -7.65 -13.27 14.31 -9.56 -10.30 12.58 -8.60 -11.78 13.45 3 0 1000.00 -999 ? >ASN~A 145 -2.34 -12.72 14.13 -0.82 -11.78 12.91 -1.58 -12.25 13.52 2 0 1000.00 -999 ? >PRO~A 146 -6.01 -8.75 12.57 -5.34 -10.80 11.91 -5.67 -9.78 12.24 3 0 1000.00 -999 ? >PHE~A 147 -1.56 -9.30 8.87 -1.86 -6.57 8.62 -1.71 -7.93 8.74 3 0 1000.00 -999 ? >SER~A 148 -2.94 -15.23 9.77 -1.34 -15.03 11.55 -2.14 -15.13 10.66 2 0 1000.00 -999 ? >GLY~A 149 -6.60 -15.55 8.87 -6.51 -15.08 9.49 -6.55 -15.32 9.18 1 0 1000.00 -999 ? >PRO~A 150 -10.77 -16.56 8.51 -9.56 -15.18 9.76 -10.16 -15.87 9.14 3 0 1000.00 -999 ? >LEU~A 151 -12.33 -14.87 14.46 -11.92 -13.18 15.70 -12.12 -14.03 15.08 3 0 1000.00 -999 ? >ILE~A 152 -14.35 -18.94 11.56 -14.60 -18.94 10.69 -14.48 -18.94 11.12 3 0 1000.00 -999 ? >ASP~A 153 -8.48 -19.96 11.09 -8.26 -19.40 9.04 -8.37 -19.68 10.07 2 0 1000.00 -999 ? >ASP~A 154 -9.04 -21.24 16.17 -8.67 -22.62 17.74 -8.85 -21.93 16.95 2 0 1000.00 -999 ? >VAL.A 155 -12.95 -23.90 15.52 -13.82 -25.87 15.12 -13.38 -24.88 15.32 3 0 1000.00 -999 ? >GLU.A 156 -11.51 -25.56 20.12 -13.40 -26.62 20.22 -12.46 -26.09 20.17 2 0 1000.00 -999 ? >THR.A 157 -12.88 -19.56 19.05 -11.56 -18.10 18.24 -12.22 -18.83 18.65 2 0 1000.00 -999 ? >LYS.A 158 -16.36 -18.62 20.26 -19.64 -21.74 18.06 -18.00 -20.18 19.16 2 0 1000.00 -999 ? >HIS^A 159 -17.77 -16.04 23.64 -19.38 -17.33 24.00 -18.57 -16.69 23.82 3 0 1000.00 -999 ? >TYR^A 160 -14.30 -11.31 19.36 -15.94 -10.23 17.37 -15.12 -10.77 18.37 3 0 1000.00 -999 ? >LYS^A 161 -13.40 -8.68 23.29 -13.49 -7.51 29.11 -13.45 -8.10 26.20 2 0 1000.00 -999 ? >ILE^A 162 -13.93 -4.74 20.52 -14.67 -4.33 19.46 -14.30 -4.53 19.99 3 0 1000.00 -999 ? >MET^A 163 -9.87 -3.54 22.68 -9.82 -5.36 25.61 -9.85 -4.45 24.14 2 0 1000.00 -999 ? >PRO^A 164 -11.68 0.43 22.74 -9.94 -0.56 21.62 -10.81 -0.07 22.18 3 0 1000.00 -999 ? >LEU.A 165 -5.91 0.90 18.56 -4.70 -0.89 18.57 -5.30 0.01 18.57 3 0 1000.00 -999 ? >SER~A 166 -5.56 5.20 19.50 -3.17 5.27 19.13 -4.36 5.23 19.32 2 0 1000.00 -999 ? >SER~A 167 -5.79 6.72 15.99 -5.37 9.05 16.39 -5.58 7.88 16.19 2 0 1000.00 -999 ? >TYR~A 168 0.40 5.83 16.07 2.98 5.79 15.03 1.69 5.81 15.55 3 0 1000.00 -999 ? >TYR~A 169 -1.72 1.38 14.72 0.03 0.64 16.75 -0.85 1.01 15.74 3 0 1000.00 -999 ? >GLN~A 170 -6.57 6.05 12.13 -8.11 4.71 11.65 -7.34 5.38 11.89 2 0 1000.00 -999 ? >ARG~A 171 1.56 6.68 11.41 1.33 9.32 13.00 1.44 8.00 12.20 2 0 1000.00 -999 ? >ASN~A 172 -0.51 1.39 8.99 1.28 1.86 10.10 0.39 1.62 9.55 2 0 1000.00 -999 ? >ILE~A 173 -5.51 2.94 6.24 -6.91 3.22 6.47 -6.21 3.08 6.35 3 0 1000.00 -999 ? >PRO~A 174 -2.46 4.98 3.34 -2.85 2.77 3.44 -2.65 3.88 3.39 3 0 1000.00 -999 ? >SER~A 175 -0.14 -0.18 3.39 1.86 1.12 3.97 0.86 0.47 3.68 2 0 1000.00 -999 ? >ILE~A 176 -3.11 -2.41 6.48 -3.22 -2.67 7.86 -3.16 -2.54 7.17 3 0 1000.00 -999 ? >THR~A 177 -5.26 -2.49 2.52 -6.83 -1.05 2.09 -6.04 -1.77 2.31 2 0 1000.00 -999 ? >PRO~A 178 -2.07 -2.02 -0.48 -3.55 -3.61 0.08 -2.81 -2.81 -0.20 3 0 1000.00 -999 ? >ILE~A 179 -1.19 -6.80 3.13 -0.04 -7.03 3.92 -0.62 -6.91 3.52 3 0 1000.00 -999 ? >LEU~A 180 -6.24 -6.93 4.26 -5.98 -7.06 6.42 -6.11 -7.00 5.34 3 0 1000.00 -999 ? >VAL~A 181 -7.02 -7.58 -0.27 -7.75 -6.09 -1.61 -7.39 -6.83 -0.94 3 0 1000.00 -999 ? >ARG~A 182 -1.37 -11.39 -2.98 0.79 -12.32 -4.99 -0.29 -11.85 -3.99 2 0 1000.00 -999 ? >GLN~A 183 -5.01 -12.76 4.05 -4.61 -11.94 5.99 -4.81 -12.35 5.02 2 0 1000.00 -999 ? >LEU~A 184 -9.72 -11.07 1.67 -10.10 -10.55 3.76 -9.91 -10.81 2.72 3 0 1000.00 -999 ? >LEU~A 185 -8.75 -11.64 -3.68 -9.43 -9.97 -4.85 -9.09 -10.80 -4.27 3 0 1000.00 -999 ? >PRO~A 186 -11.89 -15.74 -4.35 -9.73 -15.32 -3.86 -10.81 -15.53 -4.11 3 0 1000.00 -999 ? >ASP~A 187 -5.38 -18.00 -5.65 -4.51 -18.19 -3.70 -4.95 -18.10 -4.67 2 0 1000.00 -999 ? >GLY~A 189 -9.52 -13.62 -8.65 -8.72 -13.79 -8.65 -9.12 -13.70 -8.65 1 0 1000.00 -999 ? >PHE~A 190 -4.33 -10.92 -6.57 -2.27 -9.09 -6.38 -3.30 -10.01 -6.48 3 0 1000.00 -999 ? >LEU~A 191 -4.48 -15.03 -11.01 -3.06 -16.16 -12.29 -3.77 -15.60 -11.65 3 0 1000.00 -999 ? >TRP~A 192 -9.39 -12.65 -15.50 -13.12 -11.90 -14.56 -11.25 -12.27 -15.03 3 0 1000.00 -999 ? >LEU~A 193 -7.27 -8.17 -10.53 -9.25 -7.61 -9.75 -8.26 -7.89 -10.14 3 0 1000.00 -999 ? >THR~A 194 -3.26 -8.85 -12.66 -2.26 -10.26 -11.26 -2.76 -9.55 -11.96 2 0 1000.00 -999 ? >SER~A 195 -3.94 -10.06 -16.27 -6.30 -10.72 -16.78 -5.12 -10.39 -16.52 2 0 1000.00 -999 ? >ASP~A 196 -6.24 -6.16 -17.71 -6.28 -4.58 -19.12 -6.26 -5.37 -18.42 2 0 1000.00 -999 ? >MET~A 197 -2.39 -3.80 -16.03 0.52 -3.82 -14.24 -0.94 -3.81 -15.13 2 0 1000.00 -999 ? >ARG~A 198 -4.36 1.09 -20.01 -6.25 1.32 -22.40 -5.30 1.21 -21.21 2 0 1000.00 -999 ? >VAL~A 199 -7.59 -2.35 -14.85 -9.33 -3.67 -15.28 -8.46 -3.01 -15.06 3 0 1000.00 -999 ? >PHE~A 200 -3.30 -4.83 -11.06 -2.00 -5.72 -8.79 -2.65 -5.28 -9.93 3 0 1000.00 -999 ? >SER~A 201 -3.80 0.00 -11.84 -2.76 2.08 -12.50 -3.28 1.04 -12.17 2 0 1000.00 -999 ? >ASP~A 202 -8.32 1.73 -12.66 -7.82 3.08 -14.24 -8.07 2.41 -13.45 2 0 1000.00 -999 ? >TRP~A 203 -9.94 -3.58 -7.87 -7.22 -5.92 -6.28 -8.58 -4.75 -7.07 3 0 1000.00 -999 ? >MET~A 204 -5.34 -0.39 -6.78 -2.98 -3.01 -5.77 -4.16 -1.70 -6.28 2 0 1000.00 -999 ? >GLN~A 205 -4.68 4.69 -8.88 -3.39 5.80 -7.53 -4.04 5.24 -8.21 2 0 1000.00 -999 ? >ALA~A 206 -9.69 2.83 -6.12 -10.66 1.93 -6.83 -10.18 2.38 -6.47 2 0 1000.00 -999 ? >LEU~A 207 -7.78 -0.47 -3.13 -8.86 -2.31 -3.03 -8.32 -1.39 -3.08 3 0 1000.00 -999 ? >ARG.A 208 -3.26 4.39 -3.66 -1.13 6.57 -3.59 -2.19 5.48 -3.62 2 0 1000.00 -999 ? >ASP.A 209 -9.97 5.44 0.21 -11.81 6.11 1.08 -10.89 5.78 0.64 2 0 1000.00 -999 ? >GLY.A 216 -8.85 5.96 -12.47 -9.36 6.60 -12.53 -9.10 6.28 -12.50 1 0 1000.00 -999 ? >ARG.A 217 -11.89 1.13 -15.49 -9.80 0.30 -17.63 -10.85 0.72 -16.56 2 0 1000.00 -999 ? >PHE~A 218 -13.12 1.38 -10.89 -12.60 -0.87 -12.45 -12.86 0.25 -11.67 3 0 1000.00 -999 ? >GLU~A 219 -12.10 9.60 -8.85 -11.44 10.97 -10.41 -11.77 10.28 -9.63 2 0 1000.00 -999 ? >HIS~A 220 -17.91 9.90 -11.48 -19.65 11.07 -11.49 -18.78 10.48 -11.48 3 0 1000.00 -999 ? >VAL~A 221 -18.78 6.08 -8.92 -19.15 3.93 -9.30 -18.96 5.01 -9.11 3 0 1000.00 -999 ? >LEU~A 222 -15.52 4.92 -5.46 -15.20 2.70 -5.37 -15.36 3.81 -5.41 3 0 1000.00 -999 ? >GLN~A 223 -15.04 10.39 -5.55 -14.44 10.37 -3.46 -14.74 10.38 -4.51 2 0 1000.00 -999 ? >LEU~A 224 -21.55 8.70 -7.04 -21.96 9.77 -8.90 -21.75 9.24 -7.97 3 0 1000.00 -999 ? >PHE~A 225 -21.08 4.25 -2.06 -22.11 2.69 0.03 -21.60 3.47 -1.02 3 0 1000.00 -999 ? >LYS~A 226 -19.49 8.43 -0.56 -13.80 9.24 2.10 -16.64 8.84 0.77 2 0 1000.00 -999 ? >HIS~A 227 -19.91 13.14 -1.80 -17.96 13.82 -1.43 -18.93 13.48 -1.61 3 0 1000.00 -999 ? >LYS.A 228 -24.87 9.35 -1.35 -24.52 10.50 3.71 -24.69 9.93 1.18 2 0 1000.00 -999 ? >ASN.A 229 -24.54 11.36 -5.64 -24.74 13.26 -4.87 -24.64 12.31 -5.25 2 0 1000.00 -999 ? >ILE.A 230 -24.66 5.66 -5.72 -23.95 4.79 -5.80 -24.31 5.23 -5.76 3 0 1000.00 -999 ? >ASP.A 231 -28.82 4.97 -9.47 -29.53 6.91 -10.09 -29.17 5.94 -9.78 2 0 1000.00 -999 ? >GLY.A 232 -28.74 1.76 -5.80 -29.36 1.86 -6.27 -29.05 1.81 -6.03 1 0 1000.00 -999 ? >LEU.A 233 -29.42 -3.02 -6.62 -29.65 -3.81 -8.60 -29.53 -3.42 -7.61 3 0 1000.00 -999 ? >PHE.A 234 -29.51 -4.43 -2.33 -30.24 -6.88 -3.38 -29.88 -5.65 -2.86 3 0 1000.00 -999 ? >ASN.A 235 -32.70 1.04 0.34 -33.83 1.16 -1.44 -33.26 1.10 -0.55 2 0 1000.00 -999 ? >THR.A 236 -30.36 -0.91 3.30 -31.83 -0.83 4.91 -31.09 -0.87 4.11 2 0 1000.00 -999 ? >LEU.A 237 -27.66 -4.64 4.44 -27.10 -5.69 2.57 -27.38 -5.16 3.50 3 0 1000.00 -999 ? >PRO.A 238 -30.43 -7.75 6.97 -30.10 -5.58 7.39 -30.26 -6.67 7.18 3 0 1000.00 -999 ? >ALA.A 239 -28.25 -5.45 11.25 -27.92 -4.14 11.94 -28.08 -4.80 11.60 2 0 1000.00 -999 ? >LEU.A 240 -28.29 -10.16 12.51 -26.32 -10.91 13.17 -27.31 -10.53 12.84 3 0 1000.00 -999 ? >PRO.A 241 -31.42 -9.25 16.27 -29.24 -8.81 16.03 -30.33 -9.03 16.15 3 0 1000.00 -999 ? >VAL.A 242 -25.87 -9.47 18.50 -23.87 -8.91 17.73 -24.87 -9.19 18.11 3 0 1000.00 -999 ? >ASN.A 243 -26.67 -12.51 22.29 -26.91 -12.85 24.44 -26.79 -12.68 23.36 2 0 1000.00 -999 ? >LEU.A 244 -23.14 -7.78 23.82 -22.31 -6.62 22.20 -22.72 -7.20 23.01 3 0 1000.00 -999 ? >GLN.A 245 -23.09 -13.26 26.04 -22.29 -15.09 25.34 -22.69 -14.17 25.69 2 0 1000.00 -999 ? >ASP.A 246 -21.70 -10.08 31.69 -23.74 -9.66 31.68 -22.72 -9.87 31.69 2 0 1000.00 -999 ? >SER~A 247 -17.41 -10.64 31.20 -15.17 -10.42 30.34 -16.29 -10.53 30.77 2 0 1000.00 -999 ? >PRO~A 248 -18.85 -13.65 33.97 -17.65 -11.73 34.13 -18.25 -12.69 34.05 3 0 1000.00 -999 ? >ALA~A 249 -13.92 -12.89 35.10 -13.30 -14.11 34.44 -13.61 -13.50 34.77 2 0 1000.00 -999 ? >THR~A 250 -12.72 -9.38 34.14 -12.54 -9.60 31.97 -12.63 -9.49 33.05 2 0 1000.00 -999 ? >ALA~A 251 -15.41 -6.90 35.16 -16.79 -7.21 35.78 -16.10 -7.06 35.47 2 0 1000.00 -999 ? >HIS~A 252 -14.26 -5.83 40.03 -15.87 -6.53 41.18 -15.07 -6.18 40.61 3 0 1000.00 -999 ? >ALA~A 253 -10.43 -4.93 35.54 -9.64 -6.16 35.05 -10.03 -5.55 35.29 2 0 1000.00 -999 ? >ASP~A 254 -13.94 -4.09 32.13 -13.58 -5.97 31.26 -13.76 -5.03 31.70 2 0 1000.00 -999 ? >ALA~A 255 -13.81 -0.67 35.04 -14.71 -0.77 36.29 -14.26 -0.72 35.67 2 0 1000.00 -999 ? >PHE~A 256 -7.70 -0.65 36.62 -5.06 0.34 36.67 -6.38 -0.15 36.64 3 0 1000.00 -999 ? >LEU~A 257 -9.11 -1.00 31.43 -7.74 -1.23 29.75 -8.42 -1.12 30.59 3 0 1000.00 -999 ? >ASN~A 258 -13.34 2.22 31.47 -14.47 3.54 30.20 -13.91 2.88 30.84 2 0 1000.00 -999 ? >TRP~A 259 -10.83 6.47 37.33 -7.11 5.53 38.20 -8.97 6.00 37.76 3 0 1000.00 -999 ? >LEU~A 260 -6.36 3.37 33.56 -4.23 3.10 33.56 -5.29 3.23 33.56 3 0 1000.00 -999 ? >LYS~A 261 -7.94 5.69 30.07 -9.89 1.28 26.11 -8.91 3.49 28.09 2 0 1000.00 -999 ? >ALA~A 263 -7.57 9.79 33.79 -7.28 9.03 35.08 -7.42 9.41 34.44 2 0 1000.00 -999 ? >LEU~A 264 -4.02 8.32 30.69 -2.61 6.88 31.60 -3.31 7.60 31.15 3 0 1000.00 -999 ? >ALA~A 265 -6.71 11.38 28.72 -8.02 10.87 28.12 -7.36 11.12 28.42 2 0 1000.00 -999 ? >THR~A 266 -7.12 14.37 31.15 -9.12 13.92 31.83 -8.12 14.15 31.49 2 0 1000.00 -999 ? >ASN.A 267 -2.94 15.71 32.52 -2.32 15.79 30.50 -2.63 15.75 31.51 2 0 1000.00 -999 ? >GLN.A 268 -7.48 13.55 35.77 -7.51 15.47 36.69 -7.49 14.51 36.23 2 0 1000.00 -999 ? >ILE.A 269 -2.38 9.33 36.07 -2.67 7.96 36.13 -2.53 8.65 36.10 3 0 1000.00 -999 ? >VAL.A 271 3.52 9.24 34.68 2.52 9.19 32.63 3.02 9.22 33.65 3 0 1000.00 -999 ? >ASN.A 272 7.71 9.46 33.25 7.48 8.23 31.49 7.59 8.85 32.37 2 0 1000.00 -999 ? >THR.A 273 7.98 10.50 37.95 6.34 11.90 38.29 7.16 11.20 38.12 2 0 1000.00 -999 ? >ALA.A 276 3.61 7.82 39.86 3.65 8.44 38.49 3.63 8.13 39.18 2 0 1000.00 -999 ? >GLY.A 277 2.44 4.22 39.32 2.43 4.73 38.69 2.44 4.47 39.01 1 0 1000.00 -999 ? >VAL^A 278 2.56 4.45 35.50 0.70 4.73 34.38 1.63 4.59 34.94 3 0 1000.00 -999 ? >HIS^A 279 7.24 4.46 35.61 7.65 5.26 37.51 7.44 4.86 36.56 3 0 1000.00 -999 ? >VAL^A 280 6.49 4.64 29.72 5.33 5.62 28.11 5.91 5.13 28.92 3 0 1000.00 -999 ? >ILE^A 281 10.27 1.86 29.66 10.27 0.92 30.63 10.27 1.39 30.14 3 0 1000.00 -999 ? >PRO.A 282 12.96 2.88 25.68 10.81 2.18 25.91 11.88 2.53 25.80 3 0 1000.00 -999 ? >GLU.A 283 11.41 -2.89 26.30 12.89 -1.59 27.18 12.15 -2.24 26.74 2 0 1000.00 -999 ? >GLY^A 284 5.81 -0.19 26.60 6.32 0.13 27.12 6.07 -0.03 26.86 1 0 1000.00 -999 ? >VAL^A 285 3.61 1.06 29.41 1.46 1.54 29.63 2.54 1.30 29.52 3 0 1000.00 -999 ? >PHE^A 286 5.89 -0.81 34.83 6.36 -2.21 37.21 6.13 -1.51 36.02 3 0 1000.00 -999 ? >LEU^A 287 0.12 -0.87 35.02 -1.10 0.14 33.57 -0.49 -0.37 34.29 3 0 1000.00 -999 ? >GLU^A 288 4.35 -0.29 40.94 5.33 1.23 42.09 4.84 0.47 41.51 2 0 1000.00 -999 ? >LYS.A 289 0.59 -2.95 41.30 -0.40 -8.57 43.77 0.10 -5.76 42.53 2 0 1000.00 -999 ? >THR.A 290 0.97 -1.03 44.55 2.45 -2.10 45.76 1.71 -1.57 45.15 2 0 1000.00 -999 ? >GLY~A 291 0.90 2.19 42.50 0.22 1.63 42.44 0.56 1.91 42.47 1 0 1000.00 -999 ? >ILE~A 292 -1.55 2.84 38.34 -2.09 3.15 37.84 -1.82 3.00 38.09 3 0 1000.00 -999 ? >PHE~A 293 -3.44 -2.11 39.53 -3.07 -3.12 36.93 -3.25 -2.62 38.23 3 0 1000.00 -999 ? >LYS~A 294 -3.91 1.00 44.63 -0.12 0.08 49.13 -2.02 0.54 46.88 2 0 1000.00 -999 ? >GLN~A 295 -4.40 6.76 42.13 -3.18 8.07 40.91 -3.79 7.42 41.52 2 0 1000.00 -999 ? >TYR~A 296 -9.14 1.92 40.35 -11.68 0.92 39.68 -10.41 1.42 40.01 3 0 1000.00 -999 ? >ILE~A 297 -8.09 0.41 45.71 -9.05 -0.55 45.79 -8.57 -0.07 45.75 3 0 1000.00 -999 ? >ASP~A 298 -6.76 4.82 47.70 -5.78 3.17 48.69 -6.27 3.99 48.20 2 0 1000.00 -999 ? >HIS~A 300 -13.07 4.63 42.11 -12.69 5.71 40.36 -12.88 5.17 41.23 3 0 1000.00 -999 ? >VAL.A 303 -16.81 0.11 44.76 -16.28 0.19 42.65 -16.54 0.15 43.70 3 0 1000.00 -999 ? >PRO.A 304 -18.85 -3.65 45.44 -16.84 -2.79 45.98 -17.84 -3.22 45.71 3 0 1000.00 -999 ? >VAL.A 305 -13.25 -4.76 45.41 -12.35 -4.88 43.36 -12.80 -4.82 44.39 3 0 1000.00 -999 ? >ASN~A 306 -9.44 -6.29 48.05 -10.16 -8.29 47.69 -9.80 -7.29 47.87 2 0 1000.00 -999 ? >LEU~A 307 -5.28 -4.10 45.94 -3.53 -3.24 45.01 -4.40 -3.67 45.48 3 0 1000.00 -999 ? >PHE~A 308 -6.27 -10.87 45.59 -6.47 -13.52 44.66 -6.37 -12.19 45.12 3 0 1000.00 -999 ? >THR~A 309 -9.12 -8.90 42.89 -11.08 -9.64 43.29 -10.10 -9.27 43.09 2 0 1000.00 -999 ? >VAL~A 310 -8.66 -5.93 40.56 -8.07 -3.82 40.66 -8.37 -4.88 40.61 3 0 1000.00 -999 ? >TYR~A 311 -2.53 -7.00 40.27 0.06 -7.09 39.20 -1.23 -7.04 39.74 3 0 1000.00 -999 ? >GLN~A 312 -7.35 -12.69 39.75 -6.50 -14.52 40.35 -6.93 -13.60 40.05 2 0 1000.00 -999 ? >GLN~A 313 -10.95 -9.88 38.22 -12.97 -9.27 38.27 -11.96 -9.58 38.25 2 0 1000.00 -999 ? >PHE~A 314 -5.03 -5.38 34.61 -4.15 -3.52 32.77 -4.59 -4.45 33.69 3 0 1000.00 -999 ? >GLY~A 315 -4.24 -10.61 34.72 -5.02 -10.42 34.51 -4.63 -10.51 34.62 1 0 1000.00 -999 ? >ASN~A 316 -8.68 -12.57 34.17 -8.62 -13.72 36.02 -8.65 -13.14 35.09 2 0 1000.00 -999 ? >LEU~A 317 -8.37 -8.14 31.40 -9.38 -6.58 30.21 -8.87 -7.36 30.81 3 0 1000.00 -999 ? >PHE~A 318 -4.22 -6.96 29.35 -5.29 -4.47 28.59 -4.76 -5.72 28.97 3 0 1000.00 -999 ? >GLY.A 319 -3.60 -13.09 29.54 -3.26 -12.50 29.94 -3.43 -12.79 29.74 1 0 1000.00 -999 ? >LEU.A 320 -0.76 -11.74 33.33 -0.31 -9.68 32.60 -0.53 -10.71 32.97 3 0 1000.00 -999 ? >THR.A 321 -0.70 -16.39 32.81 -2.39 -16.85 34.14 -1.54 -16.62 33.48 2 0 1000.00 -999 ? >LYS.A 322 -1.04 -17.36 29.12 -6.54 -18.75 29.14 -3.79 -18.05 29.13 2 0 1000.00 -999 ? >LEU.A 323 2.77 -19.16 26.67 4.02 -20.28 28.06 3.40 -19.72 27.36 3 0 1000.00 -999 ? >SER.A 324 0.01 -16.65 23.91 -2.26 -17.13 24.55 -1.12 -16.89 24.23 2 0 1000.00 -999 ? >GLY.A 325 -0.29 -13.20 25.50 0.43 -13.58 25.45 0.07 -13.39 25.47 1 0 1000.00 -999 ? >ILE.A 326 4.09 -12.64 23.34 4.34 -13.17 22.06 4.22 -12.90 22.70 3 0 1000.00 -999 ? >ASP.A 327 1.51 -7.76 23.65 2.08 -7.91 21.62 1.80 -7.83 22.64 2 0 1000.00 -999 ? >TYR^A 328 -0.80 -8.08 27.06 -1.90 -7.25 24.68 -1.35 -7.67 25.87 3 0 1000.00 -999 ? >ARG^A 329 7.33 -9.53 29.59 9.00 -7.48 27.96 8.16 -8.51 28.78 2 0 1000.00 -999 ? >PHE^A 330 3.21 -10.95 35.99 0.57 -11.65 36.70 1.89 -11.30 36.34 3 0 1000.00 -999 ? >GLU^A 331 8.32 -6.72 32.51 10.32 -7.41 32.50 9.32 -7.07 32.51 2 0 1000.00 -999 ? >GLN^A 332 12.02 -6.96 38.52 12.76 -8.11 40.18 12.39 -7.53 39.35 2 0 1000.00 -999 ? >LEU^A 333 11.03 -1.17 36.42 10.10 -1.25 34.43 10.56 -1.21 35.42 3 0 1000.00 -999 ? >PHE.A 334 15.81 -2.96 38.93 15.29 -5.71 39.07 15.55 -4.34 39.00 3 0 1000.00 -999 ? >ALA~A 340 14.35 5.83 45.73 13.50 4.79 44.97 13.93 5.31 45.35 2 0 1000.00 -999 ? >LEU~A 341 16.51 2.93 48.96 15.74 0.98 48.32 16.13 1.96 48.64 3 0 1000.00 -999 ? >LYS~A 342 17.75 7.18 49.94 23.71 7.48 47.91 20.73 7.33 48.92 2 0 1000.00 -999 ? >ARG~A 343 11.93 10.49 46.99 11.21 12.02 44.40 11.57 11.25 45.69 2 0 1000.00 -999 ? >LYS~A 344 12.62 7.19 51.84 9.54 3.01 48.30 11.08 5.10 50.07 2 0 1000.00 -999 ? >SER~A 345 15.52 7.40 54.35 16.87 5.46 54.18 16.19 6.43 54.26 2 0 1000.00 -999 ? >LYS~A 346 15.64 11.21 54.40 19.75 12.86 56.31 17.70 12.04 55.35 2 0 1000.00 -999 ? >MET~A 347 11.93 11.99 53.85 11.68 13.64 50.01 11.80 12.81 51.93 2 0 1000.00 -999 ? >GLY~A 348 10.20 8.91 55.46 10.98 9.06 55.75 10.59 8.98 55.61 1 0 1000.00 -999 ? >PHE.A 349 8.80 5.07 58.26 6.74 3.69 56.98 7.77 4.38 57.62 3 0 1000.00 -999 ? >ALA.A 350 13.21 3.72 56.04 13.52 3.80 54.56 13.36 3.76 55.30 2 0 1000.00 -999 ? >GLY.A 351 16.13 4.94 58.22 15.50 4.46 58.41 15.81 4.70 58.32 1 0 1000.00 -999 ? >LEU.A 352 13.20 3.19 61.71 12.95 4.87 63.09 13.08 4.03 62.40 3 0 1000.00 -999 ? >PRO.A 360 16.42 -2.30 44.05 14.69 -1.51 45.30 15.55 -1.90 44.68 3 0 1000.00 -999 ? >ARG^A 362 9.02 1.39 42.42 7.83 3.96 41.15 8.43 2.68 41.78 2 0 1000.00 -999 ? >GLU^A 363 4.88 -5.15 42.76 4.82 -3.10 43.42 4.85 -4.13 43.09 2 0 1000.00 -999 ? >GLY^A 364 3.77 -4.69 37.88 4.31 -5.13 37.59 4.04 -4.91 37.73 1 0 1000.00 -999 ? >VAL^A 365 2.39 -5.31 34.42 0.40 -6.08 34.09 1.40 -5.70 34.26 3 0 1000.00 -999 ? >LEU^A 366 5.46 -4.59 30.78 6.81 -3.33 29.59 6.13 -3.96 30.18 3 0 1000.00 -999 ? >ILE^A 367 0.39 -2.99 28.25 -0.90 -2.92 28.40 -0.26 -2.95 28.32 3 0 1000.00 -999 ? >ALA.A 368 3.90 -3.69 25.01 4.25 -4.88 24.17 4.08 -4.28 24.59 2 0 1000.00 -999 ? >ASP~A 369 0.73 -2.01 21.83 0.31 -0.66 20.23 0.52 -1.33 21.03 2 0 1000.00 -999 ? >PRO~A 370 3.15 2.25 24.70 1.13 1.27 24.45 2.14 1.76 24.57 3 0 1000.00 -999 ? >ASN~A 371 -1.62 2.49 20.51 -0.11 3.74 19.71 -0.86 3.11 20.11 2 0 1000.00 -999 ? >LEU~A 372 -3.96 -1.16 24.23 -4.21 -3.05 23.21 -4.09 -2.10 23.72 3 0 1000.00 -999 ? >ILE~A 373 -2.64 2.35 27.94 -3.17 1.66 29.11 -2.91 2.00 28.52 3 0 1000.00 -999 ? >PHE.A 374 -1.14 6.75 26.72 0.34 6.75 29.06 -0.40 6.75 27.89 3 0 1000.00 -999 ? >THR.A 375 -6.20 5.92 23.23 -7.46 4.49 24.20 -6.83 5.20 23.71 2 0 1000.00 -999 ? >GLY.A 377 -3.94 11.63 23.21 -3.75 10.79 23.04 -3.84 11.21 23.12 1 0 1000.00 -999 ? >ILE.A 379 2.64 7.39 23.35 1.82 6.49 23.75 2.23 6.94 23.55 3 0 1000.00 -999 ? >PRO.A 380 2.71 9.63 28.30 3.76 9.83 26.29 3.24 9.73 27.29 3 0 1000.00 -999 ? >SER.A 381 8.05 9.91 25.75 8.32 12.24 25.16 8.18 11.07 25.45 2 0 1000.00 -999 ? >ALA.A 382 10.07 7.16 27.40 10.86 6.09 26.69 10.47 6.62 27.04 2 0 1000.00 -999 ? >LEU.A 388 14.43 -4.34 31.72 12.47 -4.60 30.74 13.45 -4.47 31.23 3 0 1000.00 -999 ?