REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-AUG-07 2QZB COMPND UNCHARACTERIZED PROTEIN YFEY; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 28-191; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: YFEY, B2432, JW2425; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,B.WU,R.ROMERO,D.SMITH,S.WASSERMAN, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (NYSGXRC) SSBOND 1 CYS A 137 CYS A 150 1555 1555 2.05 SSBOND 2 CYS B 137 CYS B 150 1555 1555 2.08 >THR.A 39 -28.29 -6.45 -35.05 -27.52 -4.47 -35.40 -27.91 -5.46 -35.22 2 0 1000.00 -999 ? >LYS.A 40 -26.43 -9.25 -36.81 -28.15 -14.43 -33.76 -27.29 -11.84 -35.28 2 0 1000.00 -999 ? >VAL^A 41 -24.21 -9.70 -39.81 -22.06 -9.38 -39.93 -23.13 -9.54 -39.87 3 0 1000.00 -999 ? >SER^A 42 -26.17 -11.60 -42.49 -28.10 -10.21 -43.11 -27.14 -10.90 -42.80 2 0 1000.00 -999 ? >GLU.A 43 -26.34 -14.74 -46.72 -24.28 -15.06 -47.00 -25.31 -14.90 -46.86 2 0 1000.00 -999 ? >GLN.A 44 -30.11 -9.94 -46.74 -30.12 -11.49 -45.22 -30.12 -10.72 -45.98 2 0 1000.00 -999 ? >GLY^A 45 -25.60 -6.65 -44.51 -25.91 -7.28 -44.04 -25.76 -6.97 -44.27 1 0 1000.00 -999 ? >VAL^A 46 -25.36 -5.52 -40.90 -23.38 -5.21 -40.05 -24.37 -5.37 -40.47 3 0 1000.00 -999 ? >GLY.A 47 -28.79 -4.72 -39.46 -28.49 -4.78 -40.28 -28.64 -4.75 -39.87 1 0 1000.00 -999 ? >GLU.A 48 -32.24 -1.72 -40.35 -33.47 -3.49 -40.69 -32.86 -2.60 -40.52 2 0 1000.00 -999 ? >LEU.A 49 -25.59 -1.28 -42.79 -24.90 0.38 -41.56 -25.24 -0.45 -42.17 3 0 1000.00 -999 ? >THR.A 50 -27.04 -3.14 -46.98 -29.27 -3.20 -47.15 -28.16 -3.17 -47.07 2 0 1000.00 -999 ? >ALA.A 51 -25.66 -2.95 -50.52 -25.66 -4.09 -51.53 -25.66 -3.52 -51.02 2 0 1000.00 -999 ? >SER.A 52 -28.37 -0.34 -51.29 -30.44 -1.49 -50.66 -29.40 -0.92 -50.97 2 0 1000.00 -999 ? >THR.A 53 -27.41 1.90 -48.34 -27.53 1.57 -46.22 -27.47 1.74 -47.28 2 0 1000.00 -999 ? >PRO.A 54 -28.04 6.01 -49.67 -26.29 4.62 -49.39 -27.16 5.32 -49.53 3 0 1000.00 -999 ? >LEU.A 55 -21.06 5.48 -48.86 -19.26 4.92 -47.84 -20.16 5.20 -48.35 3 0 1000.00 -999 ? >GLN~A 56 -24.36 9.83 -48.81 -22.99 11.43 -49.09 -23.68 10.63 -48.95 2 0 1000.00 -999 ? >GLU~A 57 -23.17 11.68 -40.87 -22.29 13.41 -40.05 -22.73 12.55 -40.46 2 0 1000.00 -999 ? >GLN~A 58 -28.79 12.61 -41.67 -27.28 14.00 -41.06 -28.03 13.31 -41.36 2 0 1000.00 -999 ? >ALA~A 59 -28.26 7.24 -44.28 -27.82 6.93 -45.67 -28.04 7.08 -44.98 2 0 1000.00 -999 ? >ILE~A 60 -24.36 5.40 -42.10 -23.10 5.12 -42.34 -23.73 5.26 -42.22 3 0 1000.00 -999 ? >ALA~A 61 -27.09 6.97 -38.84 -26.96 8.46 -38.51 -27.02 7.71 -38.68 2 0 1000.00 -999 ? >ASP~A 62 -31.42 6.65 -41.02 -32.00 8.69 -40.89 -31.71 7.67 -40.96 2 0 1000.00 -999 ? >ALA~A 63 -29.67 2.56 -40.39 -28.79 2.10 -41.54 -29.23 2.33 -40.96 2 0 1000.00 -999 ? >LEU~A 64 -26.55 3.10 -36.75 -24.40 2.92 -37.27 -25.48 3.01 -37.01 3 0 1000.00 -999 ? >ASP.A 65 -30.33 -0.51 -34.40 -31.93 -0.65 -33.03 -31.13 -0.58 -33.72 2 0 1000.00 -999 ? >GLY.A 66 -27.25 1.33 -31.05 -27.48 2.08 -31.43 -27.36 1.70 -31.24 1 0 1000.00 -999 ? >ASP.A 67 -25.61 3.94 -27.47 -27.42 3.22 -26.60 -26.52 3.58 -27.03 2 0 1000.00 -999 ? >TYR.A 68 -23.05 2.52 -32.81 -23.20 -0.22 -32.67 -23.13 1.15 -32.74 3 0 1000.00 -999 ? >ARG^A 69 -21.20 8.49 -29.64 -20.31 9.26 -26.77 -20.75 8.87 -28.20 2 0 1000.00 -999 ? >LEU^A 70 -21.17 8.36 -37.28 -21.58 7.42 -39.21 -21.37 7.89 -38.24 3 0 1000.00 -999 ? >ARG^A 71 -13.85 9.27 -35.48 -11.35 7.94 -34.43 -12.60 8.61 -34.95 2 0 1000.00 -999 ? >SER^A 72 -15.43 9.73 -41.46 -16.11 11.89 -42.43 -15.77 10.81 -41.95 2 0 1000.00 -999 ? >GLY^A 73 -12.26 9.44 -43.50 -12.94 9.28 -44.01 -12.60 9.36 -43.76 1 0 1000.00 -999 ? >MET^A 74 -10.94 9.00 -47.01 -12.20 12.38 -49.13 -11.57 10.69 -48.07 2 0 1000.00 -999 ? >LYS^A 75 -8.45 6.76 -48.57 -10.51 0.92 -47.49 -9.48 3.84 -48.03 2 0 1000.00 -999 ? >THR^A 76 -7.03 5.68 -51.85 -5.08 6.11 -52.67 -6.05 5.90 -52.26 2 0 1000.00 -999 ? >ALA^A 77 -8.59 2.81 -53.91 -9.89 2.39 -53.28 -9.24 2.60 -53.59 2 0 1000.00 -999 ? >ASN.A 78 -9.69 1.17 -57.95 -9.96 -0.78 -57.13 -9.82 0.19 -57.54 2 0 1000.00 -999 ? >GLY.A 79 -6.81 5.02 -58.97 -7.42 4.97 -58.43 -7.12 4.99 -58.70 1 0 1000.00 -999 ? >ASN^A 80 -10.58 7.21 -57.48 -11.21 9.16 -58.07 -10.90 8.19 -57.78 2 0 1000.00 -999 ? >VAL^A 81 -10.08 8.41 -53.44 -9.32 10.16 -52.32 -9.70 9.28 -52.88 3 0 1000.00 -999 ? >VAL^A 82 -12.98 6.75 -51.57 -12.81 4.58 -51.98 -12.89 5.66 -51.77 3 0 1000.00 -999 ? >ARG^A 83 -17.00 10.56 -49.83 -19.76 9.60 -48.84 -18.38 10.08 -49.33 2 0 1000.00 -999 ? >PHE^A 84 -12.96 5.02 -44.32 -10.79 5.99 -42.85 -11.88 5.51 -43.59 3 0 1000.00 -999 ? >PHE^A 85 -19.09 7.04 -42.86 -19.94 9.18 -44.45 -19.51 8.11 -43.66 3 0 1000.00 -999 ? >GLU^A 86 -13.51 4.24 -38.67 -11.69 4.87 -37.83 -12.60 4.56 -38.25 2 0 1000.00 -999 ? >VAL^A 87 -18.95 3.64 -36.34 -20.79 2.58 -36.82 -19.87 3.11 -36.58 3 0 1000.00 -999 ? >MET^A 88 -17.67 4.31 -32.85 -14.80 5.42 -34.14 -16.24 4.86 -33.50 2 0 1000.00 -999 ? >LYS^A 89 -18.57 2.56 -29.61 -19.58 -3.12 -27.48 -19.07 -0.28 -28.55 2 0 1000.00 -999 ? >GLY.A 90 -17.08 4.72 -26.93 -16.93 4.60 -27.75 -17.00 4.66 -27.34 1 0 1000.00 -999 ? >ASP.A 91 -12.40 4.90 -26.41 -13.07 3.32 -25.01 -12.74 4.11 -25.71 2 0 1000.00 -999 ? >ASN^A 92 -13.31 0.84 -29.26 -11.88 0.54 -27.69 -12.59 0.69 -28.47 2 0 1000.00 -999 ? >VAL^A 93 -14.15 1.42 -33.60 -13.13 1.85 -35.49 -13.64 1.63 -34.55 3 0 1000.00 -999 ? >ALA^A 94 -17.26 -0.79 -33.66 -18.63 -0.37 -33.13 -17.94 -0.58 -33.40 2 0 1000.00 -999 ? >MET^A 95 -17.50 -0.99 -37.53 -21.69 -1.50 -38.26 -19.59 -1.25 -37.89 2 0 1000.00 -999 ? >VAL^A 96 -15.72 0.34 -40.59 -13.53 0.44 -40.91 -14.63 0.39 -40.75 3 0 1000.00 -999 ? >ILE^A 97 -19.35 1.74 -43.25 -20.75 1.84 -43.00 -20.05 1.79 -43.13 3 0 1000.00 -999 ? >ASN^A 98 -15.39 0.28 -47.36 -13.64 0.83 -46.29 -14.52 0.55 -46.82 2 0 1000.00 -999 ? >GLY.A 99 -18.32 1.79 -50.39 -17.56 2.09 -50.47 -17.94 1.94 -50.43 1 0 1000.00 -999 ? >GLY.A 102 -20.39 5.32 -53.47 -20.93 4.79 -53.75 -20.66 5.05 -53.61 1 0 1000.00 -999 ? >THR.A 103 -22.80 2.80 -51.93 -24.02 1.41 -53.10 -23.41 2.10 -52.52 2 0 1000.00 -999 ? >ILE.A 104 -22.62 0.04 -47.80 -22.78 0.08 -46.36 -22.70 0.06 -47.08 3 0 1000.00 -999 ? >SER.A 105 -19.72 -2.51 -50.44 -17.71 -1.53 -51.21 -18.71 -2.02 -50.83 2 0 1000.00 -999 ? >ARG^A 106 -14.09 -4.66 -46.81 -11.42 -5.84 -45.76 -12.75 -5.25 -46.28 2 0 1000.00 -999 ? >ILE^A 107 -19.94 -3.61 -42.93 -21.19 -3.18 -42.62 -20.57 -3.39 -42.78 3 0 1000.00 -999 ? >ASP^A 108 -14.45 -4.40 -40.97 -13.55 -4.63 -42.90 -14.00 -4.51 -41.94 2 0 1000.00 -999 ? >VAL^A 109 -17.50 -5.50 -37.56 -19.63 -6.06 -37.28 -18.57 -5.78 -37.42 3 0 1000.00 -999 ? >LEU.A 110 -14.25 -4.29 -34.41 -13.02 -3.46 -36.03 -13.63 -3.88 -35.22 3 0 1000.00 -999 ? >ASP.A 111 -19.52 -4.03 -32.32 -20.80 -3.59 -30.67 -20.16 -3.81 -31.50 2 0 1000.00 -999 ? >SER.A 112 -18.43 -7.94 -29.83 -18.08 -7.33 -27.53 -18.25 -7.64 -28.68 2 0 1000.00 -999 ? >ASP.A 113 -22.76 -6.05 -28.75 -21.95 -5.62 -26.85 -22.35 -5.84 -27.80 2 0 1000.00 -999 ? >ILE.A 114 -22.63 -6.83 -34.14 -23.03 -5.75 -34.98 -22.83 -6.29 -34.56 3 0 1000.00 -999 ? >PRO.A 115 -24.92 -11.91 -32.92 -22.96 -10.98 -33.73 -23.94 -11.45 -33.32 3 0 1000.00 -999 ? >ALA.A 116 -22.92 -13.20 -37.44 -21.79 -13.97 -38.14 -22.35 -13.59 -37.79 2 0 1000.00 -999 ? >ASP.A 117 -27.34 -14.54 -39.00 -26.99 -14.93 -41.02 -27.16 -14.73 -40.01 2 0 1000.00 -999 ? >THR.A 118 -23.96 -18.09 -38.54 -22.21 -17.43 -39.55 -23.08 -17.76 -39.05 2 0 1000.00 -999 ? >GLY.A 119 -23.66 -17.79 -34.73 -23.08 -17.48 -35.22 -23.37 -17.64 -34.98 1 0 1000.00 -999 ? >VAL.A 120 -20.07 -16.62 -34.91 -18.46 -17.32 -36.18 -19.26 -16.97 -35.55 3 0 1000.00 -999 ? >LYS.A 121 -19.01 -13.64 -32.74 -20.97 -16.04 -27.18 -19.99 -14.84 -29.96 2 0 1000.00 -999 ? >ILE.A 122 -15.81 -10.28 -31.46 -14.90 -9.66 -32.42 -15.36 -9.97 -31.94 3 0 1000.00 -999 ? >GLY.A 123 -14.01 -14.22 -29.58 -14.31 -14.48 -30.23 -14.16 -14.35 -29.91 1 0 1000.00 -999 ? >THR.A 124 -15.27 -17.44 -31.25 -16.91 -18.09 -32.53 -16.09 -17.76 -31.89 2 0 1000.00 -999 ? >PRO~A 125 -13.40 -20.64 -29.00 -13.00 -19.62 -31.00 -13.20 -20.13 -30.00 3 0 1000.00 -999 ? >PHE~A 126 -9.04 -21.44 -36.19 -8.28 -22.41 -38.72 -8.66 -21.93 -37.46 3 0 1000.00 -999 ? >SER~A 127 -11.27 -24.72 -33.49 -10.85 -24.60 -31.10 -11.06 -24.66 -32.29 2 0 1000.00 -999 ? >ASP~A 128 -15.68 -23.01 -32.31 -15.89 -23.31 -30.19 -15.78 -23.16 -31.25 2 0 1000.00 -999 ? >LEU~A 129 -15.27 -22.11 -37.22 -16.59 -20.60 -36.43 -15.93 -21.36 -36.82 3 0 1000.00 -999 ? >TYR~A 130 -12.36 -23.01 -40.01 -13.89 -20.88 -41.03 -13.12 -21.94 -40.52 3 0 1000.00 -999 ? >SER.A 131 -10.45 -28.40 -38.33 -10.71 -30.02 -40.10 -10.58 -29.21 -39.21 2 0 1000.00 -999 ? >LYS.A 132 -7.76 -26.91 -40.58 -6.18 -30.57 -45.30 -6.97 -28.74 -42.94 2 0 1000.00 -999 ? >ALA.A 133 -6.93 -23.67 -42.41 -5.69 -22.83 -42.07 -6.31 -23.25 -42.24 2 0 1000.00 -999 ? >PHE.A 134 -5.61 -26.97 -47.60 -5.22 -27.57 -50.31 -5.41 -27.27 -48.96 3 0 1000.00 -999 ? >GLY.A 135 -8.41 -23.64 -48.60 -8.43 -23.34 -47.87 -8.42 -23.49 -48.24 1 0 1000.00 -999 ? >ASN.A 136 -11.11 -22.56 -44.72 -11.74 -24.64 -44.67 -11.42 -23.60 -44.70 2 0 1000.00 -999 ? >CSS^A 137 -8.39 -19.29 -44.97 -9.30 -20.42 -42.58 -8.84 -19.86 -43.78 2 0 1000.00 -999 ? >GLN^A 138 -6.08 -17.32 -48.67 -7.42 -17.02 -50.32 -6.75 -17.17 -49.49 2 0 1000.00 -999 ? >LYS.A 139 -3.58 -14.07 -44.63 0.99 -13.13 -42.88 -1.30 -13.60 -43.76 2 0 1000.00 -999 ? >ALA.A 140 -5.75 -10.97 -44.23 -6.19 -10.41 -42.90 -5.97 -10.69 -43.56 2 0 1000.00 -999 ? >ALA.A 147 -4.59 -11.86 -38.90 -5.71 -10.81 -38.89 -5.15 -11.33 -38.89 2 0 1000.00 -999 ? >VAL^A 148 -5.94 -14.74 -40.98 -5.07 -16.74 -40.90 -5.51 -15.74 -40.94 3 0 1000.00 -999 ? >GLU^A 149 -10.71 -12.79 -44.20 -10.71 -11.12 -45.45 -10.71 -11.95 -44.82 2 0 1000.00 -999 ? >CSS^A 150 -11.59 -17.30 -43.55 -10.01 -18.77 -41.60 -10.80 -18.03 -42.57 2 0 1000.00 -999 ? >LYS^A 151 -14.87 -17.51 -45.44 -11.31 -19.63 -49.79 -13.09 -18.57 -47.61 2 0 1000.00 -999 ? >ALA.A 152 -17.88 -18.44 -43.43 -18.93 -17.47 -43.03 -18.41 -17.96 -43.23 2 0 1000.00 -999 ? >GLU.A 153 -19.82 -24.38 -43.76 -18.93 -25.10 -45.54 -19.37 -24.74 -44.65 2 0 1000.00 -999 ? >GLY.A 154 -22.12 -21.73 -46.69 -21.66 -21.11 -46.53 -21.89 -21.42 -46.61 1 0 1000.00 -999 ? >SER.A 155 -21.86 -17.93 -47.05 -21.67 -15.69 -46.14 -21.77 -16.81 -46.59 2 0 1000.00 -999 ? >GLN.A 156 -22.29 -17.24 -52.09 -20.53 -18.13 -52.92 -21.41 -17.68 -52.50 2 0 1000.00 -999 ? >HIS.A 157 -22.74 -11.69 -49.52 -23.80 -11.80 -51.33 -23.27 -11.74 -50.43 3 0 1000.00 -999 ? >ILE^A 158 -20.34 -13.70 -43.64 -21.27 -13.56 -42.56 -20.81 -13.63 -43.10 3 0 1000.00 -999 ? >SER^A 159 -15.70 -13.82 -43.66 -14.84 -13.37 -45.89 -15.27 -13.60 -44.77 2 0 1000.00 -999 ? >TYR^A 160 -15.76 -15.71 -39.40 -18.32 -16.80 -39.60 -17.04 -16.26 -39.50 3 0 1000.00 -999 ? >GLN^A 161 -10.22 -10.61 -40.91 -9.03 -8.84 -41.31 -9.62 -9.72 -41.11 2 0 1000.00 -999 ? >PHE^A 162 -9.81 -16.70 -36.93 -12.23 -18.02 -37.22 -11.02 -17.36 -37.07 3 0 1000.00 -999 ? >SER^A 163 -5.92 -13.30 -34.32 -6.88 -11.15 -33.64 -6.40 -12.22 -33.98 2 0 1000.00 -999 ? >GLY.A 164 -3.69 -15.00 -31.76 -3.21 -14.53 -32.34 -3.45 -14.76 -32.05 1 0 1000.00 -999 ? >GLU.A 165 2.05 -16.40 -29.60 2.59 -17.21 -27.67 2.32 -16.80 -28.64 2 0 1000.00 -999 ? >TRP.A 166 4.13 -15.35 -36.89 1.26 -14.80 -39.52 2.70 -15.08 -38.21 3 0 1000.00 -999 ? >ARG.A 167 4.03 -21.45 -32.33 2.53 -20.36 -29.85 3.28 -20.90 -31.09 2 0 1000.00 -999 ? >GLY.A 168 6.80 -19.28 -37.81 6.62 -18.53 -37.56 6.71 -18.91 -37.69 1 0 1000.00 -999 ? >PRO.A 169 8.58 -19.16 -41.77 7.61 -17.67 -40.40 8.10 -18.41 -41.09 3 0 1000.00 -999 ? >GLU.A 170 5.66 -11.44 -40.36 6.73 -10.17 -39.05 6.20 -10.81 -39.70 2 0 1000.00 -999 ? >GLY.A 171 4.71 -14.03 -44.91 4.56 -14.70 -44.47 4.63 -14.36 -44.69 1 0 1000.00 -999 ? >LEU.A 172 3.44 -18.50 -44.47 4.89 -19.34 -45.80 4.17 -18.92 -45.13 3 0 1000.00 -999 ? >MET.A 173 -0.48 -18.36 -42.71 -4.33 -19.40 -43.66 -2.41 -18.88 -43.18 2 0 1000.00 -999 ? >PRO.A 174 0.12 -17.98 -38.34 0.39 -19.52 -39.92 0.25 -18.75 -39.13 3 0 1000.00 -999 ? >SER~A 175 0.03 -23.78 -39.09 1.00 -24.81 -37.13 0.51 -24.30 -38.11 2 0 1000.00 -999 ? >ASP~A 176 -3.67 -26.86 -38.45 -4.07 -26.72 -40.56 -3.87 -26.79 -39.50 2 0 1000.00 -999 ? >ASP~A 177 -0.41 -27.06 -33.93 -0.62 -29.11 -34.25 -0.52 -28.08 -34.09 2 0 1000.00 -999 ? >THR~A 178 -1.05 -22.55 -33.71 0.51 -21.12 -34.16 -0.27 -21.84 -33.94 2 0 1000.00 -999 ? >LEU~A 179 -4.69 -21.56 -36.77 -4.09 -20.15 -38.31 -4.39 -20.85 -37.54 3 0 1000.00 -999 ? >LYS~A 180 -6.54 -23.79 -33.23 -3.28 -28.22 -29.89 -4.91 -26.01 -31.56 2 0 1000.00 -999 ? >ASN.A 181 -5.04 -21.44 -29.36 -4.63 -23.44 -28.72 -4.83 -22.44 -29.04 2 0 1000.00 -999 ? >TRP.A 182 -3.95 -18.27 -33.19 -2.89 -15.82 -36.10 -3.42 -17.04 -34.65 3 0 1000.00 -999 ? >LYS^A 183 -10.16 -16.27 -31.91 -10.10 -16.80 -25.60 -10.13 -16.54 -28.76 2 0 1000.00 -999 ? >VAL^A 184 -12.38 -14.24 -34.20 -14.36 -14.58 -35.18 -13.37 -14.41 -34.69 3 0 1000.00 -999 ? >SER^A 185 -11.27 -10.59 -34.02 -9.24 -10.60 -35.29 -10.26 -10.59 -34.66 2 0 1000.00 -999 ? >LYS^A 186 -13.36 -9.21 -36.90 -10.27 -5.15 -39.86 -11.82 -7.18 -38.38 2 0 1000.00 -999 ? >ILE^A 187 -17.83 -10.52 -38.23 -18.82 -11.40 -37.72 -18.32 -10.96 -37.98 3 0 1000.00 -999 ? >ILE^A 188 -15.12 -9.05 -43.27 -13.88 -8.64 -43.69 -14.50 -8.85 -43.48 3 0 1000.00 -999 ? >TRP^A 189 -22.65 -9.04 -45.76 -22.90 -5.80 -48.02 -22.78 -7.42 -46.89 3 0 1000.00 -999 ? >ARG^A 190 -15.08 -8.88 -49.11 -12.73 -9.66 -47.31 -13.91 -9.27 -48.21 2 0 1000.00 -999 ? >ARG.A 191 -21.48 -4.32 -53.95 -22.37 -1.41 -53.37 -21.92 -2.86 -53.66 2 0 1000.00 -999 ? >THR.B 39 -0.92 13.92 0.13 -2.88 13.57 -0.71 -1.90 13.74 -0.29 2 0 1000.00 -999 ? >LYS.B 40 1.89 12.39 -1.97 6.94 15.02 0.79 4.41 13.71 -0.59 2 0 1000.00 -999 ? >VAL^B 41 2.61 9.70 -4.51 2.39 9.55 -6.72 2.50 9.63 -5.61 3 0 1000.00 -999 ? >SER^B 42 4.48 6.95 -2.67 3.14 6.15 -0.85 3.81 6.55 -1.76 2 0 1000.00 -999 ? >GLU.B 43 7.28 1.41 -3.59 8.33 1.76 -5.44 7.81 1.59 -4.52 2 0 1000.00 -999 ? >GLN.B 44 3.82 -0.16 -1.45 3.65 -1.66 -2.97 3.73 -0.91 -2.21 2 0 1000.00 -999 ? >GLY^B 45 -0.24 4.33 -3.16 0.45 4.76 -3.13 0.10 4.54 -3.15 1 0 1000.00 -999 ? >VAL^B 46 -1.40 7.89 -3.30 -1.67 8.80 -5.30 -1.54 8.34 -4.30 3 0 1000.00 -999 ? >GLY.B 47 -2.23 9.10 0.20 -2.19 8.32 -0.21 -2.21 8.71 0.00 1 0 1000.00 -999 ? >GLU.B 48 -5.53 7.47 3.74 -4.42 6.11 4.95 -4.97 6.79 4.34 2 0 1000.00 -999 ? >LEU^B 49 -5.77 6.06 -3.31 -7.48 7.22 -3.77 -6.63 6.64 -3.54 3 0 1000.00 -999 ? >THR^B 50 -3.88 1.78 -2.44 -3.91 1.22 -0.31 -3.90 1.50 -1.38 2 0 1000.00 -999 ? >ALA.B 51 -4.07 -1.51 -4.38 -2.90 -2.43 -4.55 -3.48 -1.97 -4.46 2 0 1000.00 -999 ? >SER.B 52 -6.67 -2.58 -1.74 -5.48 -3.74 -0.05 -6.07 -3.16 -0.90 2 0 1000.00 -999 ? >THR.B 53 -9.04 0.32 -2.33 -8.75 2.46 -2.06 -8.90 1.39 -2.20 2 0 1000.00 -999 ? >PRO.B 54 -12.98 -1.55 -1.87 -11.72 -0.73 -3.57 -12.35 -1.14 -2.72 3 0 1000.00 -999 ? >LEU.B 55 -12.46 0.48 -8.71 -11.76 1.71 -10.35 -12.11 1.10 -9.53 3 0 1000.00 -999 ? >GLN~B 56 -16.71 0.00 -4.99 -18.11 -0.35 -6.56 -17.41 -0.17 -5.77 2 0 1000.00 -999 ? >GLU~B 57 -18.43 8.02 -5.73 -20.27 8.80 -6.37 -19.35 8.41 -6.05 2 0 1000.00 -999 ? >GLN~B 58 -18.60 3.37 -0.89 -19.19 2.27 0.92 -18.89 2.82 0.02 2 0 1000.00 -999 ? >ALA~B 59 -14.25 4.11 -0.88 -13.82 2.71 -1.39 -14.03 3.41 -1.13 2 0 1000.00 -999 ? >ILE~B 60 -12.41 6.81 -4.56 -12.00 6.73 -5.85 -12.21 6.77 -5.20 3 0 1000.00 -999 ? >ALA~B 61 -14.22 9.52 -1.45 -15.76 9.68 -1.50 -14.99 9.60 -1.47 2 0 1000.00 -999 ? >ASP~B 62 -13.89 6.81 2.50 -13.68 6.44 4.58 -13.78 6.63 3.54 2 0 1000.00 -999 ? >ALA~B 63 -9.71 7.67 1.30 -9.15 6.74 0.23 -9.43 7.20 0.77 2 0 1000.00 -999 ? >LEU~B 64 -10.19 11.76 -1.26 -9.64 11.48 -3.33 -9.91 11.62 -2.30 3 0 1000.00 -999 ? >TYR.B 68 -9.77 16.33 -4.27 -6.96 16.81 -4.48 -8.36 16.57 -4.38 3 0 1000.00 -999 ? >ARG^B 69 -17.47 17.04 -9.34 -19.98 18.62 -8.42 -18.73 17.83 -8.88 2 0 1000.00 -999 ? >LEU^B 70 -15.72 11.31 -7.63 -14.45 10.72 -6.00 -15.08 11.01 -6.81 3 0 1000.00 -999 ? >ARG^B 71 -16.64 15.07 -14.07 -15.34 15.88 -16.70 -15.99 15.48 -15.38 2 0 1000.00 -999 ? >SER^B 72 -17.00 8.43 -13.46 -19.19 7.59 -12.94 -18.10 8.01 -13.20 2 0 1000.00 -999 ? >GLY^B 73 -16.47 6.85 -16.84 -16.34 6.29 -16.20 -16.40 6.57 -16.52 1 0 1000.00 -999 ? >MET^B 74 -15.89 3.51 -18.54 -19.22 0.91 -17.60 -17.56 2.21 -18.07 2 0 1000.00 -999 ? >LYS^B 75 -13.42 2.61 -21.29 -8.32 5.40 -18.44 -10.87 4.00 -19.87 2 0 1000.00 -999 ? >THR^B 76 -11.45 -0.28 -22.82 -11.96 -1.20 -24.72 -11.71 -0.74 -23.77 2 0 1000.00 -999 ? >ALA^B 77 -8.42 -2.23 -21.80 -7.77 -1.85 -20.47 -8.09 -2.04 -21.13 2 0 1000.00 -999 ? >ASN.B 78 -7.51 -6.74 -21.65 -5.97 -5.92 -20.38 -6.74 -6.33 -21.01 2 0 1000.00 -999 ? >GLY.B 79 -11.13 -5.85 -24.90 -11.13 -5.52 -24.19 -11.13 -5.69 -24.55 1 0 1000.00 -999 ? >ASN^B 80 -13.74 -6.53 -20.91 -15.74 -6.59 -20.11 -14.74 -6.56 -20.51 2 0 1000.00 -999 ? >VAL^B 81 -15.46 -2.67 -20.14 -17.52 -2.03 -20.65 -16.49 -2.35 -20.40 3 0 1000.00 -999 ? >VAL^B 82 -13.50 -1.33 -17.17 -11.33 -1.43 -17.71 -12.41 -1.38 -17.44 3 0 1000.00 -999 ? >ARG^B 83 -17.54 0.13 -13.15 -16.95 0.68 -10.20 -17.25 0.40 -11.68 2 0 1000.00 -999 ? >PHE^B 84 -12.02 6.08 -16.05 -13.04 7.84 -17.98 -12.53 6.96 -17.02 3 0 1000.00 -999 ? >PHE^B 85 -14.13 6.60 -9.96 -16.09 4.70 -9.27 -15.11 5.65 -9.61 3 0 1000.00 -999 ? >GLU^B 86 -11.51 11.62 -14.86 -12.29 12.77 -16.47 -11.90 12.19 -15.66 2 0 1000.00 -999 ? >VAL^B 87 -11.00 13.36 -9.14 -9.95 12.79 -7.36 -10.48 13.07 -8.25 3 0 1000.00 -999 ? >MET^B 88 -11.81 16.92 -9.92 -12.96 15.97 -12.98 -12.39 16.45 -11.45 2 0 1000.00 -999 ? >LYS^B 89 -10.66 20.24 -8.63 -6.45 21.61 -4.32 -8.56 20.92 -6.48 2 0 1000.00 -999 ? >GLY.B 90 -12.87 22.88 -10.23 -12.71 22.12 -10.48 -12.79 22.50 -10.35 1 0 1000.00 -999 ? >ASP.B 91 -12.59 23.98 -14.95 -10.73 25.06 -14.51 -11.66 24.52 -14.73 2 0 1000.00 -999 ? >ASN^B 92 -8.53 21.10 -13.93 -8.40 22.89 -15.08 -8.46 22.00 -14.50 2 0 1000.00 -999 ? >VAL^B 93 -8.88 16.72 -13.69 -9.19 14.96 -14.97 -9.04 15.84 -14.33 3 0 1000.00 -999 ? >ALA^B 94 -6.48 16.33 -10.73 -6.84 16.80 -9.34 -6.66 16.57 -10.03 2 0 1000.00 -999 ? >MET^B 95 -6.31 12.54 -10.73 -5.76 10.90 -6.86 -6.04 11.72 -8.80 2 0 1000.00 -999 ? >VAL^B 96 -7.51 9.57 -12.79 -7.60 9.55 -15.03 -7.56 9.56 -13.91 3 0 1000.00 -999 ? >ILE^B 97 -8.80 6.40 -9.60 -8.64 6.43 -8.08 -8.72 6.41 -8.84 3 0 1000.00 -999 ? >ASN^B 98 -7.36 2.75 -14.07 -7.78 4.06 -15.68 -7.57 3.41 -14.88 2 0 1000.00 -999 ? >GLY^B 99 -9.06 -0.43 -11.57 -9.08 -0.41 -12.36 -9.07 -0.42 -11.97 1 0 1000.00 -999 ? >ASP.B 100 -7.45 -4.87 -12.24 -6.75 -5.86 -13.96 -7.10 -5.36 -13.10 2 0 1000.00 -999 ? >GLY.B 102 -12.43 -4.61 -8.55 -11.69 -4.69 -8.30 -12.06 -4.65 -8.42 1 0 1000.00 -999 ? >THR.B 103 -9.63 -2.59 -6.90 -8.73 -4.22 -5.85 -9.18 -3.41 -6.38 2 0 1000.00 -999 ? >ILE^B 104 -7.03 1.57 -6.90 -7.00 2.99 -6.57 -7.02 2.28 -6.73 3 0 1000.00 -999 ? >SER^B 105 -4.64 -0.62 -10.21 -5.86 -0.82 -12.30 -5.25 -0.72 -11.26 2 0 1000.00 -999 ? >ARG^B 106 -2.47 3.58 -15.23 -1.23 4.90 -17.72 -1.85 4.24 -16.48 2 0 1000.00 -999 ? >ILE^B 107 -3.35 6.63 -8.96 -3.82 6.89 -7.55 -3.59 6.76 -8.26 3 0 1000.00 -999 ? >ASP^B 108 -2.91 9.42 -14.14 -2.62 7.69 -15.29 -2.76 8.56 -14.72 2 0 1000.00 -999 ? >VAL^B 109 -1.64 12.49 -10.96 -1.01 12.75 -8.93 -1.32 12.62 -9.94 3 0 1000.00 -999 ? >LEU.B 110 -3.27 15.88 -13.81 -4.13 14.38 -15.16 -3.70 15.13 -14.49 3 0 1000.00 -999 ? >ASP.B 111 -3.22 17.67 -8.70 -3.74 19.23 -7.33 -3.48 18.45 -8.01 2 0 1000.00 -999 ? >SER.B 112 0.92 19.97 -9.04 0.54 22.38 -9.26 0.73 21.17 -9.15 2 0 1000.00 -999 ? >ASP.B 113 -1.59 20.49 -4.95 -1.95 22.56 -5.37 -1.77 21.53 -5.16 2 0 1000.00 -999 ? >ILE.B 114 -0.63 15.25 -5.55 -1.77 14.35 -5.28 -1.20 14.80 -5.42 3 0 1000.00 -999 ? >PRO.B 115 4.46 16.30 -3.18 3.60 15.75 -5.20 4.03 16.03 -4.19 3 0 1000.00 -999 ? >ALA.B 116 5.97 12.17 -5.34 6.76 11.55 -6.45 6.37 11.86 -5.90 2 0 1000.00 -999 ? >ASP.B 117 7.39 9.88 -1.25 7.72 8.06 -2.29 7.55 8.97 -1.77 2 0 1000.00 -999 ? >THR.B 118 10.90 11.46 -4.19 10.49 10.35 -6.03 10.70 10.91 -5.11 2 0 1000.00 -999 ? >GLY.B 119 10.44 15.27 -4.20 10.21 14.76 -4.82 10.32 15.02 -4.51 1 0 1000.00 -999 ? >VAL.B 120 9.56 15.05 -7.93 10.23 13.75 -9.56 9.89 14.40 -8.74 3 0 1000.00 -999 ? >LYS.B 121 6.59 17.20 -8.85 9.06 21.76 -7.13 7.82 19.48 -7.99 2 0 1000.00 -999 ? >ILE.B 122 3.07 18.68 -11.85 2.48 17.82 -12.78 2.77 18.25 -12.31 3 0 1000.00 -999 ? >GLY.B 123 6.91 20.89 -13.41 7.26 20.13 -13.25 7.09 20.51 -13.33 1 0 1000.00 -999 ? >THR.B 124 10.18 19.06 -12.59 10.77 17.70 -10.98 10.48 18.38 -11.78 2 0 1000.00 -999 ? >PRO~B 125 13.49 21.25 -14.51 12.34 19.32 -14.91 12.91 20.29 -14.71 3 0 1000.00 -999 ? >PHE~B 126 14.26 14.48 -19.12 15.25 12.04 -20.02 14.76 13.26 -19.57 3 0 1000.00 -999 ? >SER~B 127 17.49 17.20 -16.65 17.25 19.62 -16.84 17.37 18.41 -16.74 2 0 1000.00 -999 ? >ASP~B 128 15.85 17.91 -12.14 16.12 20.00 -11.76 15.99 18.96 -11.95 2 0 1000.00 -999 ? >LEU~B 129 15.01 13.12 -13.02 13.50 13.63 -11.52 14.26 13.38 -12.27 3 0 1000.00 -999 ? >TYR~B 130 15.75 10.57 -16.12 13.63 9.48 -14.63 14.69 10.03 -15.37 3 0 1000.00 -999 ? >SER.B 131 21.35 11.93 -17.77 23.58 11.40 -18.33 22.46 11.66 -18.05 2 0 1000.00 -999 ? >LYS.B 132 19.81 10.15 -20.76 25.00 9.04 -22.36 22.41 9.59 -21.56 2 0 1000.00 -999 ? >ALA.B 133 16.54 8.55 -21.76 15.64 9.04 -22.86 16.09 8.79 -22.31 2 0 1000.00 -999 ? >PHE.B 134 19.54 3.40 -23.64 20.03 0.70 -24.19 19.79 2.05 -23.91 3 0 1000.00 -999 ? >GLY.B 135 16.49 2.28 -20.66 16.10 2.99 -20.68 16.29 2.63 -20.67 1 0 1000.00 -999 ? >ASN.B 136 15.34 5.76 -17.46 17.19 5.45 -16.43 16.27 5.60 -16.95 2 0 1000.00 -999 ? >CSS^B 137 12.30 5.99 -20.62 13.32 8.36 -19.45 12.81 7.17 -20.04 2 0 1000.00 -999 ? >GLN^B 138 8.41 3.54 -22.05 7.81 1.51 -21.58 8.11 2.52 -21.82 2 0 1000.00 -999 ? >LYS^B 139 7.17 6.75 -25.48 7.41 7.26 -30.42 7.29 7.01 -27.95 2 0 1000.00 -999 ? >ALA.B 140 3.94 6.79 -23.49 3.53 7.98 -22.62 3.74 7.39 -23.05 2 0 1000.00 -999 ? >ASP.B 141 0.31 3.69 -24.34 -0.40 2.66 -26.08 -0.04 3.18 -25.21 2 0 1000.00 -999 ? >GLY.B 142 -2.79 6.85 -25.00 -2.26 7.03 -25.61 -2.52 6.94 -25.31 1 0 1000.00 -999 ? >ASN.B 145 -0.04 10.26 -27.70 -0.43 12.37 -27.54 -0.23 11.32 -27.62 2 0 1000.00 -999 ? >ARG.B 146 4.23 12.71 -30.84 3.20 10.44 -32.72 3.72 11.57 -31.78 2 0 1000.00 -999 ? >ALA.B 147 4.81 12.22 -24.07 3.85 12.23 -22.87 4.33 12.23 -23.47 2 0 1000.00 -999 ? >VAL^B 148 7.74 10.13 -22.82 9.84 10.22 -23.49 8.79 10.17 -23.16 3 0 1000.00 -999 ? >GLU^B 149 5.77 6.57 -18.13 4.14 5.21 -18.22 4.96 5.89 -18.18 2 0 1000.00 -999 ? >CSS^B 150 10.27 7.26 -17.33 11.65 9.31 -18.68 10.96 8.29 -18.00 2 0 1000.00 -999 ? >LYS^B 151 10.58 4.91 -14.36 11.35 2.02 -18.73 10.96 3.46 -16.54 2 0 1000.00 -999 ? >ALA.B 152 11.27 6.60 -11.00 10.25 6.86 -9.86 10.76 6.73 -10.43 2 0 1000.00 -999 ? >GLU.B 153 17.26 5.81 -9.20 17.84 4.38 -10.69 17.55 5.10 -9.94 2 0 1000.00 -999 ? >GLY.B 154 14.62 2.59 -7.53 13.98 2.93 -7.87 14.30 2.76 -7.70 1 0 1000.00 -999 ? >SER.B 155 10.81 2.33 -7.68 8.57 3.27 -7.68 9.69 2.80 -7.68 2 0 1000.00 -999 ? >GLN.B 156 10.00 -2.81 -7.90 9.71 -4.57 -6.69 9.85 -3.69 -7.30 2 0 1000.00 -999 ? >HIS.B 157 4.85 -0.01 -7.11 4.60 -2.01 -6.53 4.72 -1.01 -6.82 3 0 1000.00 -999 ? >ILE^B 158 6.59 6.03 -8.73 6.48 7.02 -7.71 6.54 6.53 -8.22 3 0 1000.00 -999 ? >SER^B 159 6.74 6.64 -13.21 6.52 4.50 -14.26 6.63 5.57 -13.73 2 0 1000.00 -999 ? >TYR^B 160 8.45 10.86 -12.80 9.47 10.45 -10.25 8.96 10.66 -11.52 3 0 1000.00 -999 ? >GLN^B 161 3.61 9.99 -18.85 1.72 9.75 -19.79 2.67 9.87 -19.32 2 0 1000.00 -999 ? >PHE^B 162 9.57 13.93 -18.40 10.97 13.44 -16.05 10.27 13.69 -17.22 3 0 1000.00 -999 ? >SER^B 163 5.96 16.77 -22.05 3.69 16.14 -21.58 4.83 16.46 -21.82 2 0 1000.00 -999 ? >GLY.B 164 7.61 19.59 -24.06 7.15 19.10 -24.59 7.38 19.35 -24.32 1 0 1000.00 -999 ? >GLU.B 165 8.61 22.66 -29.47 6.97 23.90 -30.05 7.79 23.28 -29.76 2 0 1000.00 -999 ? >TRP.B 166 8.26 16.13 -32.67 7.79 12.99 -30.34 8.02 14.56 -31.50 3 0 1000.00 -999 ? >ARG.B 167 13.07 21.27 -30.69 11.62 23.66 -29.40 12.35 22.46 -30.05 2 0 1000.00 -999 ? >GLY.B 168 12.49 15.70 -34.88 11.68 15.95 -34.81 12.09 15.83 -34.85 1 0 1000.00 -999 ? >PRO.B 169 12.51 12.43 -37.72 10.92 13.47 -36.48 11.71 12.95 -37.10 3 0 1000.00 -999 ? >GLU.B 170 5.44 13.86 -35.72 3.41 14.33 -35.69 4.43 14.10 -35.71 2 0 1000.00 -999 ? >GLY.B 171 7.73 8.35 -35.18 8.25 8.85 -34.87 7.99 8.60 -35.02 1 0 1000.00 -999 ? >LEU.B 172 12.07 9.24 -33.65 13.16 8.66 -35.41 12.62 8.95 -34.53 3 0 1000.00 -999 ? >MET.B 173 11.76 9.18 -29.31 12.39 7.61 -25.51 12.07 8.40 -27.41 2 0 1000.00 -999 ? >PRO.B 174 10.80 13.40 -28.34 12.55 12.18 -28.95 11.67 12.79 -28.64 3 0 1000.00 -999 ? >SER~B 175 16.76 13.04 -28.46 17.47 15.22 -29.14 17.11 14.13 -28.80 2 0 1000.00 -999 ? >ASP~B 176 19.58 12.90 -24.46 19.34 10.81 -24.20 19.46 11.86 -24.33 2 0 1000.00 -999 ? >ASP~B 177 20.01 17.50 -27.32 20.71 19.51 -27.16 20.36 18.51 -27.24 2 0 1000.00 -999 ? >THR~B 178 15.47 17.70 -26.76 14.06 17.36 -28.41 14.76 17.53 -27.59 2 0 1000.00 -999 ? >LEU~B 179 14.32 14.51 -23.39 13.01 12.93 -24.22 13.67 13.72 -23.81 3 0 1000.00 -999 ? >LYS~B 180 16.56 17.82 -21.22 20.73 21.33 -24.05 18.65 19.57 -22.64 2 0 1000.00 -999 ? >ASN.B 181 14.16 21.81 -22.28 16.02 22.84 -22.38 15.09 22.32 -22.33 2 0 1000.00 -999 ? >TRP.B 182 10.96 18.30 -24.02 8.74 15.38 -25.45 9.85 16.84 -24.73 3 0 1000.00 -999 ? >LYS^B 183 9.01 18.75 -17.59 10.04 24.65 -16.53 9.52 21.70 -17.06 2 0 1000.00 -999 ? >VAL^B 184 6.92 16.32 -15.57 7.23 15.06 -13.84 7.08 15.69 -14.70 3 0 1000.00 -999 ? >SER^B 185 3.31 16.51 -16.79 3.44 15.38 -18.93 3.37 15.94 -17.86 2 0 1000.00 -999 ? >LYS^B 186 1.98 13.47 -14.95 -2.18 10.73 -18.47 -0.10 12.10 -16.71 2 0 1000.00 -999 ? >ILE^B 187 3.25 11.77 -10.65 4.15 12.28 -9.63 3.70 12.03 -10.14 3 0 1000.00 -999 ? >ILE^B 188 1.95 6.95 -13.80 1.53 6.56 -15.10 1.74 6.76 -14.45 3 0 1000.00 -999 ? >TRP^B 189 2.24 3.78 -6.70 -0.84 1.40 -6.25 0.70 2.59 -6.47 3 0 1000.00 -999 ? >ARG^B 190 1.81 1.10 -14.60 2.76 3.13 -16.66 2.28 2.12 -15.63 2 0 1000.00 -999 ? >ARG.B 191 -3.01 -3.76 -8.61 -5.62 -5.05 -9.59 -4.32 -4.41 -9.10 2 0 1000.00 -999 ?