REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 12-NOV-09 3AA8 COMPND DIVALENT-CATION TOLERANCE PROTEIN CUTA; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: C-TYPE CYTOCHROME BIOGENESIS PROTEIN CYCY; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: CUTA1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR Y.MATSUURA,T.TANAKA,B.BAGAUTDINOV,N.KUNISHIMA,K.YUTANI >THR.A 9 -0.07 0.64 13.16 -2.24 0.71 13.00 -1.15 0.68 13.08 2 0 1000.00 -999 ? >ALA.A 10 1.46 -2.77 12.49 1.51 -3.90 13.51 1.48 -3.34 13.00 2 0 1000.00 -999 ? >VAL^A 11 0.82 -4.10 8.98 1.99 -2.78 7.69 1.40 -3.44 8.34 3 0 1000.00 -999 ? >VAL^A 12 0.35 -7.64 7.68 -1.33 -8.06 9.02 -0.49 -7.85 8.35 3 0 1000.00 -999 ? >VAL^A 13 0.38 -9.61 4.45 2.50 -9.98 4.12 1.44 -9.80 4.29 3 0 1000.00 -999 ? >VAL^A 14 -2.67 -11.64 3.54 -4.70 -11.15 4.22 -3.69 -11.40 3.88 3 0 1000.00 -999 ? >LEU^A 15 -1.66 -15.84 1.58 0.48 -15.55 1.53 -0.59 -15.70 1.56 3 0 1000.00 -999 ? >CYH^A 16 -5.80 -15.61 -0.56 -8.54 -15.01 -1.05 -7.17 -15.31 -0.80 2 0 1000.00 -999 ? >THR^A 17 -6.22 -17.65 -3.72 -5.43 -19.59 -3.12 -5.83 -18.62 -3.42 2 0 1000.00 -999 ? >ALA^A 18 -8.83 -17.20 -6.44 -8.98 -15.80 -7.03 -8.91 -16.50 -6.74 2 0 1000.00 -999 ? >PRO.A 19 -12.16 -19.17 -8.38 -9.94 -19.33 -8.47 -11.05 -19.25 -8.42 3 0 1000.00 -999 ? >ASP~A 20 -10.77 -17.52 -12.79 -12.53 -16.47 -12.20 -11.65 -17.00 -12.50 2 0 1000.00 -999 ? >GLU~A 21 -6.14 -14.48 -14.54 -6.22 -16.61 -14.73 -6.18 -15.55 -14.63 2 0 1000.00 -999 ? >ALA~A 22 -11.54 -12.26 -13.07 -12.74 -12.63 -13.95 -12.14 -12.44 -13.51 2 0 1000.00 -999 ? >THR~A 23 -12.45 -13.37 -9.55 -13.29 -15.16 -8.62 -12.87 -14.26 -9.09 2 0 1000.00 -999 ? >ALA~A 24 -9.00 -12.27 -8.32 -7.67 -12.79 -8.83 -8.34 -12.53 -8.57 2 0 1000.00 -999 ? >GLN~A 25 -8.94 -7.09 -11.73 -8.27 -6.85 -13.74 -8.61 -6.97 -12.73 2 0 1000.00 -999 ? >ASP~A 26 -14.12 -9.32 -8.98 -15.93 -8.60 -8.13 -15.03 -8.96 -8.55 2 0 1000.00 -999 ? >LEU~A 27 -11.31 -10.79 -4.64 -12.42 -12.52 -3.93 -11.86 -11.66 -4.29 3 0 1000.00 -999 ? >ALA~A 28 -8.99 -7.02 -4.97 -7.75 -7.09 -5.86 -8.37 -7.06 -5.42 2 0 1000.00 -999 ? >ALA~A 29 -11.08 -4.24 -6.49 -11.84 -4.32 -7.83 -11.46 -4.28 -7.16 2 0 1000.00 -999 ? >LYS~A 30 -13.77 -4.37 -3.83 -17.81 -8.10 -5.40 -15.79 -6.24 -4.62 2 0 1000.00 -999 ? >VAL~A 31 -11.58 -4.75 -0.75 -10.46 -6.62 -0.80 -11.02 -5.69 -0.77 3 0 1000.00 -999 ? >LEU~A 32 -8.65 -1.77 -3.25 -6.61 -2.44 -3.60 -7.63 -2.11 -3.43 3 0 1000.00 -999 ? >ALA~A 33 -12.59 0.26 -2.78 -13.68 -0.12 -3.77 -13.14 0.07 -3.27 2 0 1000.00 -999 ? >GLU~A 34 -15.56 -2.50 0.42 -17.30 -1.56 1.15 -16.43 -2.03 0.79 2 0 1000.00 -999 ? >LYS.A 35 -10.49 0.59 2.00 -10.41 5.51 -0.15 -10.45 3.05 0.92 2 0 1000.00 -999 ? >LEU.A 36 -10.97 -3.85 3.69 -12.87 -3.79 4.75 -11.92 -3.82 4.22 3 0 1000.00 -999 ? >ALA.A 37 -6.57 -3.15 2.03 -6.59 -4.38 1.14 -6.58 -3.77 1.58 2 0 1000.00 -999 ? >ALA.A 38 -3.90 -0.74 0.71 -2.63 -0.40 1.49 -3.26 -0.57 1.10 2 0 1000.00 -999 ? >CYH^A 39 -2.82 -2.82 -2.28 -0.05 -2.85 -1.68 -1.44 -2.83 -1.98 2 0 1000.00 -999 ? >ALA^A 40 -2.93 -6.31 -3.71 -4.36 -6.75 -3.86 -3.65 -6.53 -3.79 2 0 1000.00 -999 ? >THR^A 41 -0.54 -8.26 -5.89 1.61 -8.30 -5.83 0.54 -8.28 -5.86 2 0 1000.00 -999 ? >LEU^A 42 -3.29 -10.44 -9.01 -4.91 -9.30 -8.12 -4.10 -9.87 -8.57 3 0 1000.00 -999 ? >ILE^A 43 1.11 -14.38 -8.49 2.44 -14.42 -7.94 1.77 -14.40 -8.21 3 0 1000.00 -999 ? >PRO^A 44 -1.12 -14.36 -13.66 -1.22 -15.49 -11.75 -1.17 -14.92 -12.70 3 0 1000.00 -999 ? >GLY^A 45 -0.38 -19.44 -13.29 -0.59 -19.36 -12.55 -0.49 -19.40 -12.92 1 0 1000.00 -999 ? >ALA^A 46 -0.25 -21.17 -9.90 -0.31 -20.39 -8.58 -0.28 -20.78 -9.24 2 0 1000.00 -999 ? >THR^A 47 -1.54 -24.56 -8.76 -1.21 -26.33 -9.95 -1.37 -25.45 -9.35 2 0 1000.00 -999 ? >SER^A 48 -3.02 -25.76 -5.48 -3.77 -23.75 -4.32 -3.40 -24.75 -4.90 2 0 1000.00 -999 ? >LEU^A 49 -1.37 -30.15 -4.67 -0.09 -30.19 -6.40 -0.73 -30.17 -5.54 3 0 1000.00 -999 ? >TYR^A 50 -6.51 -29.04 -1.85 -8.56 -28.30 -3.59 -7.54 -28.67 -2.72 3 0 1000.00 -999 ? >TYR^A 51 -5.33 -35.75 0.00 -3.68 -37.69 -1.14 -4.51 -36.72 -0.57 3 0 1000.00 -999 ? >TRP^A 52 -13.44 -32.17 -2.04 -14.11 -29.81 1.04 -13.77 -30.99 -0.50 3 0 1000.00 -999 ? >GLU.A 53 -14.89 -34.90 0.18 -16.67 -34.85 -0.93 -15.78 -34.87 -0.38 2 0 1000.00 -999 ? >GLY.A 54 -9.86 -38.63 0.45 -9.95 -38.07 -0.07 -9.91 -38.35 0.19 1 0 1000.00 -999 ? >LYS^A 55 -8.71 -37.46 -2.98 -12.97 -40.35 -4.31 -10.84 -38.90 -3.65 2 0 1000.00 -999 ? >LEU^A 56 -4.43 -36.07 -4.72 -2.59 -34.94 -4.76 -3.51 -35.50 -4.74 3 0 1000.00 -999 ? >GLU^A 57 -9.49 -32.55 -5.37 -10.24 -33.44 -7.14 -9.87 -32.99 -6.26 2 0 1000.00 -999 ? >GLN^A 58 -4.31 -31.02 -10.46 -2.66 -30.97 -11.82 -3.48 -31.00 -11.14 2 0 1000.00 -999 ? >GLU^A 59 -8.95 -27.23 -7.72 -9.89 -28.10 -9.40 -9.42 -27.66 -8.56 2 0 1000.00 -999 ? >TYR^A 60 -5.44 -22.01 -12.88 -4.30 -19.55 -13.52 -4.87 -20.78 -13.20 3 0 1000.00 -999 ? >VAL^A 61 -5.38 -20.58 -8.95 -4.95 -21.68 -7.11 -5.16 -21.13 -8.03 3 0 1000.00 -999 ? >VAL^A 62 -4.28 -16.98 -8.94 -5.08 -15.39 -10.20 -4.68 -16.18 -9.57 3 0 1000.00 -999 ? >GLN^A 63 -0.21 -16.38 -4.20 -1.20 -17.48 -2.65 -0.70 -16.93 -3.42 2 0 1000.00 -999 ? >MET^A 64 -3.28 -13.08 -4.07 -7.41 -12.76 -4.46 -5.34 -12.92 -4.27 2 0 1000.00 -999 ? >ILE^A 65 0.35 -11.01 -1.98 1.67 -11.47 -1.83 1.01 -11.24 -1.90 3 0 1000.00 -999 ? >LEU^A 66 -4.39 -8.33 0.35 -5.94 -9.42 -0.69 -5.16 -8.88 -0.17 3 0 1000.00 -999 ? >LYS^A 67 -1.40 -5.52 2.33 1.23 -6.63 -2.08 -0.09 -6.08 0.12 2 0 1000.00 -999 ? >THR^A 68 -3.33 -3.95 5.17 -5.23 -4.69 5.90 -4.28 -4.32 5.54 2 0 1000.00 -999 ? >THR^A 69 -2.99 -3.23 8.91 -3.68 -1.18 9.11 -3.33 -2.21 9.01 2 0 1000.00 -999 ? >VAL.A 70 -3.67 -5.38 11.97 -3.03 -5.31 14.05 -3.35 -5.34 13.01 3 0 1000.00 -999 ? >SER.A 71 -6.69 -3.14 12.60 -5.69 -1.19 13.64 -6.19 -2.16 13.12 2 0 1000.00 -999 ? >HIS~A 72 -8.13 -1.82 8.22 -8.49 0.23 8.49 -8.31 -0.79 8.36 3 0 1000.00 -999 ? >GLN~A 73 -6.36 -8.39 11.42 -4.90 -9.52 12.50 -5.63 -8.95 11.96 2 0 1000.00 -999 ? >GLN~A 74 -12.29 -9.64 12.41 -12.78 -9.42 14.48 -12.53 -9.53 13.44 2 0 1000.00 -999 ? >ALA~A 75 -12.63 -6.91 8.38 -12.68 -5.37 8.48 -12.65 -6.14 8.43 2 0 1000.00 -999 ? >LEU~A 76 -9.06 -7.50 5.14 -8.07 -7.50 3.20 -8.56 -7.50 4.17 3 0 1000.00 -999 ? >LEU~A 77 -10.39 -12.36 6.85 -8.30 -12.98 6.95 -9.34 -12.67 6.90 3 0 1000.00 -999 ? >GLU~A 78 -14.87 -10.73 8.79 -15.65 -9.48 10.31 -15.26 -10.10 9.55 2 0 1000.00 -999 ? >CYH~A 79 -15.07 -9.14 3.14 -15.03 -6.96 1.39 -15.05 -8.05 2.27 2 0 1000.00 -999 ? >LEU~A 80 -11.43 -11.81 1.31 -9.68 -10.88 0.48 -10.56 -11.35 0.90 3 0 1000.00 -999 ? >LYS~A 81 -14.70 -14.57 2.40 -15.45 -19.00 6.81 -15.07 -16.79 4.60 2 0 1000.00 -999 ? >SER~A 82 -18.05 -12.88 1.88 -19.65 -11.07 1.88 -18.85 -11.98 1.88 2 0 1000.00 -999 ? >HIS~A 83 -17.75 -9.73 -1.89 -18.74 -8.07 -1.07 -18.24 -8.90 -1.48 3 0 1000.00 -999 ? >HIS~A 84 -13.27 -16.82 -2.35 -11.75 -17.90 -3.31 -12.51 -17.36 -2.83 3 0 1000.00 -999 ? >PRO.A 85 -14.98 -17.85 -6.06 -16.52 -17.50 -4.48 -15.75 -17.67 -5.27 3 0 1000.00 -999 ? >TYR.A 86 -13.41 -21.60 -3.48 -11.95 -22.43 -5.72 -12.68 -22.02 -4.60 3 0 1000.00 -999 ? >GLN.A 87 -18.55 -23.01 2.60 -19.79 -21.35 3.10 -19.17 -22.18 2.85 2 0 1000.00 -999 ? >THR.A 88 -13.98 -21.87 2.76 -13.99 -23.14 4.51 -13.99 -22.50 3.63 2 0 1000.00 -999 ? >PRO.A 89 -12.52 -18.06 1.22 -11.87 -20.19 1.17 -12.20 -19.12 1.20 3 0 1000.00 -999 ? >GLU.A 90 -5.10 -19.69 1.54 -3.58 -19.78 0.07 -4.34 -19.74 0.81 2 0 1000.00 -999 ? >LEU^A 91 -8.77 -16.26 4.58 -10.15 -15.22 3.28 -9.46 -15.74 3.93 3 0 1000.00 -999 ? >LEU^A 92 -3.06 -17.55 5.70 -3.20 -19.70 5.74 -3.13 -18.62 5.72 3 0 1000.00 -999 ? >VAL^A 93 -2.39 -13.55 7.76 -3.59 -11.97 8.66 -2.99 -12.76 8.21 3 0 1000.00 -999 ? >LEU^A 94 2.28 -13.52 7.02 2.11 -15.27 5.75 2.19 -14.40 6.39 3 0 1000.00 -999 ? >PRO^A 95 3.91 -12.21 11.59 2.73 -11.07 10.11 3.32 -11.64 10.85 3 0 1000.00 -999 ? >VAL.A 96 5.38 -7.79 9.21 5.12 -6.56 7.43 5.25 -7.17 8.32 3 0 1000.00 -999 ? >THR.A 97 8.05 -7.13 11.83 9.22 -8.92 11.94 8.64 -8.02 11.89 2 0 1000.00 -999 ? >HIS^A 98 11.86 -3.01 10.21 12.78 -1.13 10.27 12.32 -2.07 10.24 3 0 1000.00 -999 ? >GLY^A 99 9.34 -2.07 6.90 9.68 -1.59 7.48 9.51 -1.83 7.19 1 0 1000.00 -999 ? >ASP~A 100 10.45 1.29 3.62 10.87 3.28 3.10 10.66 2.29 3.36 2 0 1000.00 -999 ? >THR~A 101 8.91 4.02 7.06 9.59 5.25 8.70 9.25 4.63 7.88 2 0 1000.00 -999 ? >ASP~A 102 8.46 6.63 2.95 9.77 8.16 3.62 9.12 7.39 3.28 2 0 1000.00 -999 ? >TYR~A 103 5.77 0.64 1.61 3.88 -1.03 0.42 4.82 -0.20 1.02 3 0 1000.00 -999 ? >LEU~A 104 5.22 1.60 7.34 6.04 -0.37 7.74 5.63 0.62 7.54 3 0 1000.00 -999 ? >SER~A 105 3.27 5.52 6.29 3.41 7.91 5.90 3.34 6.72 6.10 2 0 1000.00 -999 ? >TRP~A 106 0.54 5.86 -0.26 0.05 2.05 -1.14 0.30 3.95 -0.70 3 0 1000.00 -999 ? >LEU~A 107 0.94 0.85 4.07 0.40 -1.18 4.48 0.67 -0.17 4.27 3 0 1000.00 -999 ? >ASN~A 108 -0.85 3.83 8.01 -0.27 2.21 9.26 -0.56 3.02 8.64 2 0 1000.00 -999 ? >ALA~A 109 -2.64 6.63 5.11 -1.67 7.67 4.54 -2.15 7.15 4.83 2 0 1000.00 -999 ? >SER~A 110 -4.25 4.73 2.23 -3.43 2.46 2.03 -3.84 3.60 2.13 2 0 1000.00 -999 ? >LEU~A 111 -6.41 2.08 5.57 -5.74 0.12 4.93 -6.08 1.10 5.25 3 0 1000.00 -999 ? >SER.B 7 -9.31 -24.94 19.41 -8.52 -26.50 21.08 -8.91 -25.72 20.24 2 0 1000.00 -999 ? >ASN.B 8 -7.20 -24.05 15.25 -9.01 -24.70 14.32 -8.11 -24.38 14.78 2 0 1000.00 -999 ? >THR.B 9 -3.12 -25.46 16.50 -1.93 -27.26 16.71 -2.53 -26.36 16.60 2 0 1000.00 -999 ? >ALA.B 10 -0.90 -22.63 15.23 0.35 -22.11 15.92 -0.27 -22.37 15.57 2 0 1000.00 -999 ? >VAL^B 11 -0.56 -22.74 11.43 -2.14 -22.96 9.92 -1.35 -22.85 10.68 3 0 1000.00 -999 ? >VAL^B 12 2.51 -21.84 9.39 3.93 -22.98 10.61 3.22 -22.41 10.00 3 0 1000.00 -999 ? >VAL^B 13 3.53 -21.23 5.80 2.75 -19.76 4.40 3.14 -20.50 5.10 3 0 1000.00 -999 ? >VAL^B 14 6.57 -23.12 4.55 7.27 -25.06 5.28 6.92 -24.09 4.91 3 0 1000.00 -999 ? >LEU^B 15 9.32 -20.52 1.68 8.27 -18.63 1.55 8.80 -19.58 1.62 3 0 1000.00 -999 ? >CYH^B 16 10.59 -24.35 -0.55 11.31 -27.08 -0.84 10.95 -25.72 -0.69 2 0 1000.00 -999 ? >THR^B 17 11.81 -24.19 -4.11 12.74 -22.43 -4.93 12.27 -23.31 -4.52 2 0 1000.00 -999 ? >ALA^B 18 11.97 -27.01 -6.65 10.72 -27.87 -6.84 11.35 -27.44 -6.75 2 0 1000.00 -999 ? >PRO.B 19 14.51 -29.39 -9.28 13.77 -27.29 -9.20 14.14 -28.34 -9.24 3 0 1000.00 -999 ? >ASP~B 20 11.50 -28.99 -13.13 12.04 -30.87 -12.30 11.77 -29.93 -12.72 2 0 1000.00 -999 ? >GLU~B 21 6.40 -26.70 -13.59 4.68 -26.07 -14.66 5.54 -26.38 -14.13 2 0 1000.00 -999 ? >ALA~B 22 7.63 -32.33 -12.14 8.51 -33.12 -13.10 8.07 -32.72 -12.62 2 0 1000.00 -999 ? >THR~B 23 9.67 -32.32 -8.93 11.80 -32.26 -8.52 10.73 -32.29 -8.73 2 0 1000.00 -999 ? >ALA~B 24 7.47 -29.67 -7.31 7.13 -28.29 -7.89 7.30 -28.98 -7.60 2 0 1000.00 -999 ? >GLN~B 25 3.40 -30.73 -10.15 2.53 -31.27 -12.02 2.96 -31.00 -11.08 2 0 1000.00 -999 ? >ASP~B 26 7.39 -35.31 -7.48 7.30 -37.36 -7.99 7.34 -36.33 -7.74 2 0 1000.00 -999 ? >LEU~B 27 8.38 -32.15 -3.33 10.53 -32.27 -3.20 9.46 -32.21 -3.26 3 0 1000.00 -999 ? >ALA~B 28 4.01 -31.83 -2.83 3.31 -30.84 -3.76 3.66 -31.33 -3.30 2 0 1000.00 -999 ? >ALA~B 29 2.10 -35.04 -3.54 2.10 -35.80 -4.86 2.10 -35.42 -4.20 2 0 1000.00 -999 ? >LYS~B 30 4.33 -36.96 -1.12 7.70 -39.01 -2.84 6.02 -37.98 -1.98 2 0 1000.00 -999 ? >VAL~B 31 4.07 -34.57 1.83 5.11 -32.71 1.35 4.59 -33.64 1.59 3 0 1000.00 -999 ? >LEU~B 32 -0.37 -33.79 0.00 -0.81 -31.72 -0.44 -0.59 -32.76 -0.22 3 0 1000.00 -999 ? >ALA~B 33 0.05 -38.14 1.13 0.76 -39.03 0.11 0.41 -38.59 0.62 2 0 1000.00 -999 ? >GLU~B 34 4.42 -38.98 3.51 4.07 -41.06 3.52 4.24 -40.02 3.51 2 0 1000.00 -999 ? >LYS.B 35 -0.21 -35.75 5.84 -5.02 -37.73 8.55 -2.62 -36.74 7.19 2 0 1000.00 -999 ? >LEU.B 36 4.18 -33.92 6.34 5.29 -35.58 7.18 4.73 -34.75 6.76 3 0 1000.00 -999 ? >ALA.B 37 1.10 -30.62 4.98 1.94 -30.18 3.79 1.52 -30.40 4.39 2 0 1000.00 -999 ? >ALA.B 38 -2.55 -29.68 4.46 -3.33 -28.84 5.46 -2.94 -29.26 4.96 2 0 1000.00 -999 ? >CYH^B 39 -2.10 -27.73 1.22 -3.48 -25.75 -0.26 -2.79 -26.74 0.48 2 0 1000.00 -999 ? >ALA^B 40 0.52 -26.71 -1.33 1.43 -27.87 -1.68 0.98 -27.29 -1.50 2 0 1000.00 -999 ? >THR^B 41 0.61 -23.85 -3.80 -0.43 -21.97 -3.60 0.09 -22.91 -3.70 2 0 1000.00 -999 ? >LEU^B 42 3.17 -25.47 -7.39 3.52 -27.40 -6.50 3.35 -26.44 -6.95 3 0 1000.00 -999 ? >ILE^B 43 4.33 -19.69 -7.85 3.80 -18.40 -7.46 4.06 -19.05 -7.66 3 0 1000.00 -999 ? >PRO^B 44 4.33 -23.47 -11.99 5.69 -21.87 -11.22 5.01 -22.67 -11.61 3 0 1000.00 -999 ? >GLY^B 45 8.48 -19.72 -13.74 8.57 -19.78 -12.97 8.52 -19.75 -13.35 1 0 1000.00 -999 ? >ALA^B 46 10.27 -18.15 -10.78 10.03 -18.50 -9.31 10.15 -18.33 -10.05 2 0 1000.00 -999 ? >THR^B 47 13.96 -17.20 -10.78 14.95 -16.00 -12.28 14.45 -16.60 -11.53 2 0 1000.00 -999 ? >SER^B 48 16.41 -17.99 -7.99 17.36 -19.48 -6.32 16.88 -18.73 -7.15 2 0 1000.00 -999 ? >LEU^B 49 19.21 -14.21 -8.07 18.90 -13.36 -10.03 19.05 -13.79 -9.05 3 0 1000.00 -999 ? >TYR^B 50 21.99 -18.88 -5.41 22.23 -21.07 -7.13 22.11 -19.97 -6.27 3 0 1000.00 -999 ? >TYR^B 51 27.18 -14.02 -5.17 27.63 -11.79 -6.80 27.41 -12.91 -5.98 3 0 1000.00 -999 ? >TRP^B 52 28.41 -22.84 -6.60 27.53 -24.19 -3.01 27.97 -23.52 -4.81 3 0 1000.00 -999 ? >GLU.B 53 31.60 -22.56 -5.92 31.91 -24.17 -7.25 31.75 -23.36 -6.58 2 0 1000.00 -999 ? >GLY.B 54 32.30 -16.33 -6.04 31.73 -16.66 -6.36 32.01 -16.49 -6.20 1 0 1000.00 -999 ? >LYS^B 55 29.82 -15.79 -8.88 32.65 -20.03 -10.75 31.24 -17.91 -9.82 2 0 1000.00 -999 ? >LEU^B 56 25.66 -13.58 -9.93 23.68 -12.75 -9.61 24.67 -13.17 -9.77 3 0 1000.00 -999 ? >GLU^B 57 25.56 -19.80 -9.31 26.34 -20.59 -11.11 25.95 -20.20 -10.21 2 0 1000.00 -999 ? >GLN^B 58 18.97 -16.37 -13.11 18.84 -14.58 -14.26 18.91 -15.48 -13.69 2 0 1000.00 -999 ? >GLU^B 59 19.59 -21.90 -10.41 19.72 -23.44 -8.96 19.65 -22.67 -9.68 2 0 1000.00 -999 ? >TYR^B 60 14.32 -20.44 -15.75 14.85 -18.40 -17.57 14.59 -19.42 -16.66 3 0 1000.00 -999 ? >VAL^B 61 12.52 -22.61 -10.40 13.80 -21.75 -8.85 13.16 -22.18 -9.62 3 0 1000.00 -999 ? >VAL^B 62 9.08 -23.35 -9.00 7.69 -24.88 -9.63 8.38 -24.11 -9.31 3 0 1000.00 -999 ? >GLN^B 63 7.66 -19.66 -4.17 9.42 -19.70 -2.98 8.54 -19.68 -3.57 2 0 1000.00 -999 ? >MET^B 64 6.34 -23.86 -3.26 8.06 -27.68 -3.50 7.20 -25.77 -3.38 2 0 1000.00 -999 ? >ILE^B 65 3.27 -21.29 -0.76 3.10 -19.80 -0.71 3.18 -20.55 -0.74 3 0 1000.00 -999 ? >LEU^B 66 4.13 -26.49 2.21 5.52 -27.63 1.01 4.82 -27.06 1.61 3 0 1000.00 -999 ? >LYS^B 67 0.67 -24.92 4.69 -0.84 -22.79 0.56 -0.09 -23.85 2.62 2 0 1000.00 -999 ? >THR^B 68 0.79 -27.02 7.85 2.55 -28.19 8.40 1.67 -27.60 8.12 2 0 1000.00 -999 ? >THR^B 69 0.91 -26.64 11.65 -0.60 -28.07 12.28 0.16 -27.35 11.96 2 0 1000.00 -999 ? >VAL~B 70 3.76 -25.93 14.05 3.12 -24.40 15.48 3.44 -25.16 14.76 3 0 1000.00 -999 ? >SER~B 71 3.47 -29.50 15.29 1.28 -30.45 14.89 2.38 -29.97 15.09 2 0 1000.00 -999 ? >HIS~B 72 2.06 -32.04 11.36 0.48 -33.17 12.14 1.27 -32.61 11.75 3 0 1000.00 -999 ? >GLN~B 73 7.49 -26.90 12.46 8.23 -24.99 13.10 7.86 -25.95 12.78 2 0 1000.00 -999 ? >GLN~B 74 11.28 -31.33 13.39 12.94 -30.15 12.75 12.11 -30.74 13.07 2 0 1000.00 -999 ? >ALA~B 75 8.58 -33.51 10.07 7.39 -34.37 10.55 7.98 -33.94 10.31 2 0 1000.00 -999 ? >LEU~B 76 6.64 -30.40 6.85 5.89 -29.79 4.91 6.26 -30.10 5.88 3 0 1000.00 -999 ? >LEU~B 77 11.65 -29.07 7.48 11.25 -26.94 7.49 11.45 -28.00 7.48 3 0 1000.00 -999 ? >GLU~B 78 13.06 -35.61 8.32 12.57 -36.89 9.93 12.82 -36.25 9.12 2 0 1000.00 -999 ? >CYH~B 79 10.51 -35.09 4.51 8.30 -36.33 3.32 9.40 -35.71 3.92 2 0 1000.00 -999 ? >LEU~B 80 10.71 -30.91 2.06 8.82 -29.97 1.60 9.76 -30.44 1.83 3 0 1000.00 -999 ? >LYS~B 81 14.82 -32.43 2.42 19.69 -30.48 6.01 17.25 -31.45 4.22 2 0 1000.00 -999 ? >SER~B 82 14.91 -36.22 2.33 14.40 -38.50 3.03 14.65 -37.36 2.68 2 0 1000.00 -999 ? >HIS~B 83 11.53 -37.88 -0.59 10.98 -39.40 0.75 11.25 -38.64 0.08 3 0 1000.00 -999 ? >HIS~B 84 14.80 -30.54 -2.56 14.32 -28.83 -3.68 14.56 -29.68 -3.12 3 0 1000.00 -999 ? >PRO.B 85 15.12 -32.68 -6.82 16.51 -33.07 -5.14 15.81 -32.88 -5.98 3 0 1000.00 -999 ? >TYR.B 86 19.05 -28.79 -4.72 17.07 -26.90 -5.14 18.06 -27.84 -4.93 3 0 1000.00 -999 ? >GLN.B 87 24.07 -31.45 0.34 23.50 -33.47 0.74 23.78 -32.46 0.54 2 0 1000.00 -999 ? >THR.B 88 20.65 -27.83 0.78 22.19 -26.94 1.99 21.42 -27.38 1.38 2 0 1000.00 -999 ? >PRO.B 89 16.40 -28.83 0.50 17.72 -27.17 -0.16 17.06 -28.00 0.17 3 0 1000.00 -999 ? >GLU.B 90 13.54 -21.82 0.44 12.35 -20.70 -0.90 12.95 -21.26 -0.23 2 0 1000.00 -999 ? >LEU.B 91 13.80 -25.98 4.41 13.42 -27.95 3.61 13.61 -26.97 4.01 3 0 1000.00 -999 ? >LEU^B 92 12.13 -20.28 4.94 14.06 -19.43 4.48 13.09 -19.85 4.71 3 0 1000.00 -999 ? >VAL^B 93 8.92 -21.45 7.97 8.46 -23.12 9.29 8.69 -22.29 8.63 3 0 1000.00 -999 ? >LEU^B 94 6.49 -17.48 6.95 7.88 -16.51 5.62 7.18 -16.99 6.29 3 0 1000.00 -999 ? >PRO^B 95 5.45 -15.90 11.66 4.79 -17.71 10.53 5.12 -16.81 11.09 3 0 1000.00 -999 ? >VAL.B 96 0.48 -17.20 10.40 -0.81 -18.25 9.00 -0.16 -17.72 9.70 3 0 1000.00 -999 ? >THR.B 97 -0.64 -14.88 13.19 0.69 -13.21 13.10 0.02 -14.05 13.15 2 0 1000.00 -999 ? >HIS^B 98 -6.16 -13.22 12.43 -8.18 -13.07 12.99 -7.17 -13.15 12.71 3 0 1000.00 -999 ? >GLY^B 99 -6.64 -16.43 9.58 -7.08 -16.30 10.28 -6.86 -16.36 9.93 1 0 1000.00 -999 ? >ASP~B 100 -10.82 -17.65 7.44 -12.84 -18.21 7.52 -11.83 -17.93 7.48 2 0 1000.00 -999 ? >THR~B 101 -11.40 -19.77 11.57 -12.46 -19.45 13.43 -11.93 -19.61 12.50 2 0 1000.00 -999 ? >ASP~B 102 -14.23 -22.00 8.29 -15.98 -21.53 9.37 -15.10 -21.76 8.83 2 0 1000.00 -999 ? >TYR~B 103 -8.29 -21.63 5.21 -6.26 -22.57 3.52 -7.28 -22.10 4.37 3 0 1000.00 -999 ? >LEU~B 104 -7.48 -21.82 11.00 -6.22 -20.08 10.78 -6.85 -20.95 10.89 3 0 1000.00 -999 ? >SER~B 105 -10.01 -25.62 11.11 -11.70 -24.46 12.40 -10.85 -25.04 11.75 2 0 1000.00 -999 ? >TRP~B 106 -10.66 -28.90 4.89 -7.42 -27.88 2.90 -9.04 -28.39 3.89 3 0 1000.00 -999 ? >LEU~B 107 -5.45 -25.61 7.97 -4.32 -24.64 6.38 -4.88 -25.13 7.17 3 0 1000.00 -999 ? >ASN~B 108 -6.37 -27.94 12.47 -5.05 -26.44 13.23 -5.71 -27.19 12.85 2 0 1000.00 -999 ? >ALA~B 109 -8.39 -31.36 10.69 -9.89 -31.16 10.46 -9.14 -31.26 10.57 2 0 1000.00 -999 ? >SER~B 110 -6.64 -32.09 7.38 -5.66 -31.56 5.22 -6.15 -31.82 6.30 2 0 1000.00 -999 ? >LEU~B 111 -2.46 -32.33 9.73 -1.52 -30.91 8.40 -1.99 -31.62 9.07 3 0 1000.00 -999 ? >ASN.C 8 14.38 -21.41 15.33 15.28 -22.84 14.06 14.83 -22.12 14.70 2 0 1000.00 -999 ? >THR.C 9 16.65 -17.98 13.58 16.22 -18.17 11.47 16.44 -18.07 12.52 2 0 1000.00 -999 ? >ALA.C 10 17.15 -14.26 12.98 18.41 -13.52 13.49 17.78 -13.89 13.24 2 0 1000.00 -999 ? >VAL^C 11 16.76 -14.90 9.26 17.29 -16.38 7.74 17.03 -15.64 8.50 3 0 1000.00 -999 ? >VAL^C 12 13.94 -12.89 7.70 14.43 -10.93 8.63 14.18 -11.91 8.16 3 0 1000.00 -999 ? >VAL^C 13 12.34 -12.59 4.28 10.84 -14.19 4.18 11.59 -13.39 4.23 3 0 1000.00 -999 ? >VAL^C 14 11.91 -9.23 2.60 13.27 -7.53 2.80 12.59 -8.38 2.70 3 0 1000.00 -999 ? >LEU^C 15 7.65 -8.68 0.54 6.65 -10.53 1.04 7.15 -9.60 0.79 3 0 1000.00 -999 ? >CYH^C 16 9.79 -5.95 -2.58 11.59 -4.05 -3.64 10.69 -5.00 -3.11 2 0 1000.00 -999 ? >THR^C 17 7.80 -5.16 -5.69 5.66 -4.94 -5.71 6.73 -5.05 -5.70 2 0 1000.00 -999 ? >ALA^C 18 9.59 -4.37 -8.95 10.84 -5.19 -9.33 10.21 -4.78 -9.14 2 0 1000.00 -999 ? >PRO.C 19 9.90 -1.44 -12.15 8.47 -3.04 -11.57 9.18 -2.24 -11.86 3 0 1000.00 -999 ? >ASP~C 20 10.10 -4.64 -15.74 11.55 -3.15 -15.47 10.82 -3.89 -15.61 2 0 1000.00 -999 ? >GLU~C 21 10.81 -10.24 -15.56 10.83 -12.03 -16.68 10.82 -11.13 -16.12 2 0 1000.00 -999 ? >ALA~C 22 15.18 -6.18 -15.71 15.22 -5.18 -16.87 15.20 -5.68 -16.29 2 0 1000.00 -999 ? >THR~C 23 14.70 -4.01 -12.62 13.59 -2.21 -12.22 14.14 -3.11 -12.42 2 0 1000.00 -999 ? >ALA~C 24 14.03 -6.93 -10.29 12.94 -7.98 -10.46 13.49 -7.46 -10.38 2 0 1000.00 -999 ? >GLN~C 25 18.44 -9.69 -13.68 17.99 -11.69 -13.13 18.21 -10.69 -13.40 2 0 1000.00 -999 ? >ASP~C 26 20.14 -4.61 -11.89 18.54 -3.36 -12.42 19.34 -3.98 -12.15 2 0 1000.00 -999 ? >LEU~C 27 16.63 -4.77 -7.41 15.53 -2.92 -7.23 16.08 -3.85 -7.32 3 0 1000.00 -999 ? >ALA~C 28 18.80 -8.56 -6.76 18.13 -9.76 -7.43 18.47 -9.16 -7.10 2 0 1000.00 -999 ? >ALA~C 29 22.25 -8.64 -8.37 22.54 -8.33 -9.84 22.39 -8.48 -9.10 2 0 1000.00 -999 ? >LYS~C 30 23.06 -5.40 -6.55 26.19 -1.34 -5.32 24.62 -3.37 -5.94 2 0 1000.00 -999 ? >VAL~C 31 22.05 -6.43 -3.03 19.87 -6.45 -2.90 20.96 -6.44 -2.97 3 0 1000.00 -999 ? >LEU~C 32 23.27 -10.86 -4.57 21.71 -12.35 -4.38 22.49 -11.60 -4.47 3 0 1000.00 -999 ? >ALA~C 33 26.94 -8.32 -4.61 27.11 -7.36 -5.77 27.02 -7.84 -5.19 2 0 1000.00 -999 ? >GLU~C 34 26.12 -3.68 -2.27 27.99 -2.80 -1.85 27.06 -3.24 -2.06 2 0 1000.00 -999 ? >LYS.C 35 26.00 -9.18 0.42 31.58 -12.00 -0.20 28.79 -10.59 0.11 2 0 1000.00 -999 ? >LEU.C 36 22.53 -6.16 1.71 23.63 -4.40 2.36 23.08 -5.28 2.04 3 0 1000.00 -999 ? >ALA.C 37 20.91 -10.52 0.95 19.93 -10.18 -0.16 20.42 -10.35 0.40 2 0 1000.00 -999 ? >ALA.C 38 21.88 -14.20 0.80 21.67 -15.19 1.94 21.78 -14.69 1.37 2 0 1000.00 -999 ? >CYH^C 39 19.53 -15.01 -2.09 18.16 -17.03 -0.68 18.85 -16.02 -1.38 2 0 1000.00 -999 ? >ALA^C 40 16.54 -13.76 -4.06 16.87 -12.42 -4.72 16.70 -13.09 -4.39 2 0 1000.00 -999 ? >THR^C 41 13.48 -15.33 -5.68 12.47 -17.06 -4.84 12.98 -16.19 -5.26 2 0 1000.00 -999 ? >LEU^C 42 12.65 -12.88 -9.63 14.28 -11.48 -9.32 13.47 -12.18 -9.47 3 0 1000.00 -999 ? >ILE^C 43 7.17 -14.61 -8.34 6.51 -15.60 -7.52 6.84 -15.11 -7.93 3 0 1000.00 -999 ? >PRO^C 44 8.38 -14.01 -13.83 7.43 -12.84 -12.18 7.91 -13.42 -13.00 3 0 1000.00 -999 ? >GLY^C 45 3.86 -12.12 -14.55 3.96 -11.78 -13.85 3.91 -11.95 -14.20 1 0 1000.00 -999 ? >ALA^C 46 1.96 -10.39 -11.75 2.43 -10.50 -10.31 2.20 -10.44 -11.03 2 0 1000.00 -999 ? >THR^C 47 -0.06 -7.17 -11.52 -1.77 -7.69 -12.75 -0.91 -7.43 -12.13 2 0 1000.00 -999 ? >SER^C 48 -0.45 -4.80 -8.61 0.58 -3.42 -6.89 0.06 -4.11 -7.75 2 0 1000.00 -999 ? >LEU^C 49 -5.00 -3.68 -7.87 -5.75 -5.03 -9.38 -5.38 -4.36 -8.63 3 0 1000.00 -999 ? >TYR^C 50 -1.63 1.06 -6.17 -0.14 2.27 -8.22 -0.89 1.67 -7.19 3 0 1000.00 -999 ? >TYR^C 51 -8.27 3.33 -4.84 -10.79 2.54 -5.79 -9.53 2.94 -5.32 3 0 1000.00 -999 ? >TRP^C 52 -1.90 8.28 -8.87 0.00 9.18 -5.54 -0.95 8.73 -7.21 3 0 1000.00 -999 ? >GLU.C 53 -4.09 11.33 -7.14 -3.36 12.75 -8.52 -3.73 12.04 -7.83 2 0 1000.00 -999 ? >GLY.C 54 -9.53 8.35 -6.24 -8.93 8.08 -6.70 -9.23 8.21 -6.47 1 0 1000.00 -999 ? >LYS^C 55 -8.60 6.07 -9.15 -6.71 3.80 -13.40 -7.65 4.93 -11.27 2 0 1000.00 -999 ? >LEU^C 56 -9.01 1.24 -9.27 -8.72 -0.85 -8.77 -8.87 0.20 -9.02 3 0 1000.00 -999 ? >GLU^C 57 -3.40 4.11 -10.67 -3.68 4.46 -12.74 -3.54 4.28 -11.70 2 0 1000.00 -999 ? >GLN^C 58 -5.67 -2.24 -12.39 -6.93 -3.60 -13.47 -6.30 -2.92 -12.93 2 0 1000.00 -999 ? >GLU^C 59 1.47 -1.18 -11.13 2.89 0.19 -10.37 2.18 -0.50 -10.75 2 0 1000.00 -999 ? >TYR^C 60 2.04 -5.50 -16.58 -0.01 -5.75 -18.43 1.02 -5.63 -17.51 3 0 1000.00 -999 ? >VAL^C 61 5.01 -6.17 -11.49 3.78 -5.48 -9.82 4.40 -5.82 -10.66 3 0 1000.00 -999 ? >VAL^C 62 7.49 -8.82 -10.40 9.27 -9.32 -11.53 8.38 -9.07 -10.97 3 0 1000.00 -999 ? >GLN^C 63 6.26 -11.30 -4.81 5.82 -9.53 -3.70 6.04 -10.41 -4.25 2 0 1000.00 -999 ? >MET^C 64 10.65 -10.29 -5.12 12.96 -7.05 -6.36 11.81 -8.67 -5.74 2 0 1000.00 -999 ? >ILE^C 65 10.79 -13.80 -2.01 9.73 -14.68 -1.52 10.26 -14.24 -1.76 3 0 1000.00 -999 ? >LEU^C 66 15.52 -10.39 -0.67 15.39 -8.86 -2.19 15.46 -9.63 -1.43 3 0 1000.00 -999 ? >LYS^C 67 16.48 -13.55 2.37 13.52 -17.06 0.05 15.00 -15.31 1.21 2 0 1000.00 -999 ? >THR^C 68 18.67 -11.90 4.97 18.76 -9.75 5.17 18.72 -10.82 5.07 2 0 1000.00 -999 ? >THR^C 69 18.69 -11.36 8.75 20.73 -11.90 9.18 19.71 -11.63 8.96 2 0 1000.00 -999 ? >VAL.C 70 17.27 -8.86 11.23 16.93 -9.06 13.37 17.10 -8.96 12.30 3 0 1000.00 -999 ? >SER.C 71 20.79 -7.47 11.75 21.85 -8.76 13.53 21.32 -8.12 12.64 2 0 1000.00 -999 ? >HIS~C 72 22.85 -8.27 7.51 24.81 -8.81 8.03 23.83 -8.54 7.77 3 0 1000.00 -999 ? >GLN~C 73 16.01 -5.59 9.61 14.22 -6.06 10.69 15.12 -5.82 10.15 2 0 1000.00 -999 ? >GLN~C 74 17.71 0.25 8.68 15.70 0.75 8.14 16.70 0.50 8.41 2 0 1000.00 -999 ? >ALA~C 75 20.81 -1.97 5.50 22.12 -2.67 5.86 21.46 -2.32 5.68 2 0 1000.00 -999 ? >LEU~C 76 18.60 -5.57 3.11 18.03 -6.94 1.53 18.32 -6.25 2.32 3 0 1000.00 -999 ? >LEU~C 77 15.10 -1.71 3.98 13.54 -3.07 4.62 14.32 -2.39 4.30 3 0 1000.00 -999 ? >GLU~C 78 18.51 1.84 4.71 19.81 2.86 6.03 19.16 2.35 5.37 2 0 1000.00 -999 ? >CYH~C 79 20.12 -0.36 -0.50 22.08 -1.84 -1.81 21.10 -1.10 -1.15 2 0 1000.00 -999 ? >LEU~C 80 15.96 -2.52 -1.81 15.77 -4.66 -2.04 15.86 -3.59 -1.93 3 0 1000.00 -999 ? >LYS~C 81 15.31 1.83 -1.70 12.10 5.33 1.23 13.70 3.58 -0.23 2 0 1000.00 -999 ? >SER~C 82 18.27 3.75 -3.11 20.36 2.55 -2.89 19.32 3.15 -3.00 2 0 1000.00 -999 ? >HIS~C 83 20.62 0.71 -6.12 22.58 1.02 -5.44 21.60 0.87 -5.78 3 0 1000.00 -999 ? >HIS~C 84 12.37 0.15 -6.15 10.67 -0.80 -6.92 11.52 -0.33 -6.54 3 0 1000.00 -999 ? >PRO.C 85 12.38 1.35 -10.56 13.26 2.87 -9.17 12.82 2.11 -9.87 3 0 1000.00 -999 ? >TYR.C 86 8.15 2.01 -7.97 6.74 0.43 -9.80 7.44 1.22 -8.89 3 0 1000.00 -999 ? >GLN.C 87 9.18 9.24 -4.55 11.18 9.73 -5.14 10.18 9.49 -4.84 2 0 1000.00 -999 ? >THR.C 88 8.04 4.68 -2.29 6.90 5.78 -0.83 7.47 5.23 -1.56 2 0 1000.00 -999 ? >PRO.C 89 10.83 1.42 -2.93 8.62 1.71 -3.06 9.72 1.56 -2.99 3 0 1000.00 -999 ? >GLU.C 90 5.73 -3.85 -0.50 4.06 -5.00 -1.01 4.90 -4.42 -0.75 2 0 1000.00 -999 ? >LEU^C 91 10.82 -2.00 1.56 12.34 -1.51 0.08 11.58 -1.75 0.82 3 0 1000.00 -999 ? >LEU^C 92 6.90 -5.82 3.79 5.17 -4.53 3.61 6.03 -5.17 3.70 3 0 1000.00 -999 ? >VAL^C 93 10.14 -7.66 6.44 12.04 -7.17 7.37 11.09 -7.41 6.90 3 0 1000.00 -999 ? >LEU^C 94 7.82 -11.78 6.37 6.01 -11.15 5.38 6.91 -11.47 5.87 3 0 1000.00 -999 ? >PRO^C 95 7.94 -12.71 11.40 9.54 -12.64 9.87 8.74 -12.67 10.63 3 0 1000.00 -999 ? >VAL.C 96 11.12 -16.65 9.80 12.40 -17.49 8.26 11.76 -17.07 9.03 3 0 1000.00 -999 ? >THR.C 97 10.27 -18.69 12.89 8.11 -18.78 12.97 9.19 -18.74 12.93 2 0 1000.00 -999 ? >HIS^C 98 11.20 -23.20 13.73 11.26 -23.46 15.81 11.23 -23.33 14.77 3 0 1000.00 -999 ? >GLY^C 99 14.23 -23.26 8.97 14.45 -23.65 9.69 14.34 -23.46 9.33 1 0 1000.00 -999 ? >ASP~C 100 16.65 -26.80 6.66 18.11 -28.35 6.59 17.38 -27.58 6.63 2 0 1000.00 -999 ? >THR~C 101 19.83 -25.79 9.88 20.65 -26.52 11.75 20.24 -26.16 10.82 2 0 1000.00 -999 ? >ASP~C 102 22.07 -27.70 5.99 22.96 -29.28 7.07 22.51 -28.49 6.53 2 0 1000.00 -999 ? >TYR~C 103 18.09 -22.92 3.41 17.33 -20.91 1.61 17.71 -21.92 2.51 3 0 1000.00 -999 ? >LEU~C 104 19.58 -21.46 8.95 17.53 -21.06 9.53 18.55 -21.26 9.24 3 0 1000.00 -999 ? >SER~C 105 23.90 -21.74 7.94 24.13 -23.60 9.48 24.02 -22.67 8.71 2 0 1000.00 -999 ? >TRP~C 106 25.16 -21.67 1.15 22.20 -19.95 -0.80 23.68 -20.81 0.18 3 0 1000.00 -999 ? >LEU~C 107 20.86 -17.86 4.74 19.05 -18.09 3.59 19.96 -17.97 4.16 3 0 1000.00 -999 ? >ASN~C 108 24.40 -17.20 8.61 22.60 -16.97 9.72 23.50 -17.09 9.17 2 0 1000.00 -999 ? >ALA~C 109 27.56 -17.61 5.49 27.92 -19.04 5.08 27.74 -18.33 5.28 2 0 1000.00 -999 ? >SER~C 110 26.45 -15.72 2.38 25.27 -17.49 1.20 25.86 -16.61 1.79 2 0 1000.00 -999 ? >LEU~C 111 24.71 -12.40 5.34 22.61 -12.44 4.86 23.66 -12.42 5.10 3 0 1000.00 -999 ?