REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAY-05 2CU6 COMPND DTDP-4-KETO-L-RHAMNOSE REDUCTASE-RELATED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR S.SATOH,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET MSE A 47 8 HET MSE B 47 8 SSBOND 1 CYS A 54 CYS B 54 1555 3455 2.67 >PRO~A 6 -37.89 -28.49 2.51 -36.93 -26.74 1.49 -37.41 -27.61 2.00 3 0 1000.00 -999 ? >LEU~A 7 -41.08 -27.90 -1.02 -41.43 -29.94 -1.64 -41.25 -28.92 -1.33 3 0 1000.00 -999 ? >GLU~A 8 -40.65 -21.45 0.99 -42.76 -21.54 0.85 -41.71 -21.49 0.92 2 0 1000.00 -999 ? >ALA~A 9 -36.96 -22.60 -2.39 -35.57 -22.95 -1.90 -36.26 -22.78 -2.15 2 0 1000.00 -999 ? >GLN~A 10 -38.03 -27.28 -6.34 -38.61 -29.32 -6.12 -38.32 -28.30 -6.23 2 0 1000.00 -999 ? >ALA~A 11 -41.28 -23.34 -5.44 -42.23 -23.14 -4.26 -41.75 -23.24 -4.85 2 0 1000.00 -999 ? >TRP~A 12 -39.47 -18.86 -2.46 -42.18 -16.22 -3.56 -40.83 -17.54 -3.01 3 0 1000.00 -999 ? >ALA~A 13 -37.45 -21.16 -8.65 -36.40 -22.29 -8.53 -36.92 -21.73 -8.59 2 0 1000.00 -999 ? >LEU~A 14 -41.39 -23.74 -9.94 -41.14 -25.88 -10.14 -41.26 -24.81 -10.04 3 0 1000.00 -999 ? >LEU~A 15 -42.89 -18.77 -8.93 -44.64 -19.68 -8.04 -43.76 -19.22 -8.49 3 0 1000.00 -999 ? >GLU~A 16 -37.95 -16.73 -9.43 -36.24 -17.13 -8.24 -37.09 -16.93 -8.83 2 0 1000.00 -999 ? >ALA.A 17 -39.76 -19.33 -14.70 -39.35 -20.80 -14.82 -39.56 -20.07 -14.76 2 0 1000.00 -999 ? >VAL.A 18 -43.43 -18.33 -15.09 -45.23 -19.03 -14.08 -44.33 -18.68 -14.58 3 0 1000.00 -999 ? >TYR^A 19 -41.17 -15.27 -18.35 -38.46 -15.21 -17.66 -39.82 -15.24 -18.01 3 0 1000.00 -999 ? >ASP^A 20 -46.33 -11.43 -16.79 -47.95 -10.15 -17.25 -47.14 -10.79 -17.02 2 0 1000.00 -999 ? >PRO.A 21 -48.08 -13.56 -21.48 -46.69 -11.93 -20.88 -47.39 -12.75 -21.18 3 0 1000.00 -999 ? >GLU.A 22 -50.09 -7.71 -20.94 -51.62 -6.45 -20.15 -50.86 -7.08 -20.55 2 0 1000.00 -999 ? >LEU.A 23 -44.41 -6.97 -17.71 -46.08 -5.61 -17.47 -45.24 -6.29 -17.59 3 0 1000.00 -999 ? >GLY.A 24 -41.99 -9.81 -20.47 -42.12 -9.62 -19.70 -42.05 -9.71 -20.08 1 0 1000.00 -999 ? >LEU^A 25 -40.74 -9.38 -15.98 -39.85 -7.46 -16.48 -40.30 -8.42 -16.23 3 0 1000.00 -999 ? >ASP^A 26 -40.43 -14.45 -14.00 -39.23 -13.59 -12.50 -39.83 -14.02 -13.25 2 0 1000.00 -999 ? >VAL.A 27 -44.26 -13.24 -11.92 -45.43 -15.07 -12.03 -44.84 -14.16 -11.98 3 0 1000.00 -999 ? >VAL.A 28 -41.76 -13.23 -9.04 -40.69 -14.83 -7.99 -41.23 -14.03 -8.52 3 0 1000.00 -999 ? >ASN.A 29 -38.44 -10.42 -11.21 -36.74 -11.46 -10.50 -37.59 -10.94 -10.85 2 0 1000.00 -999 ? >LEU.A 30 -43.74 -9.07 -12.23 -43.94 -8.46 -14.29 -43.84 -8.77 -13.26 3 0 1000.00 -999 ? >GLY.A 31 -43.94 -8.70 -7.62 -44.35 -9.04 -8.23 -44.15 -8.87 -7.92 1 0 1000.00 -999 ? >LEU.A 32 -47.55 -11.05 -9.82 -48.08 -9.89 -11.57 -47.82 -10.47 -10.69 3 0 1000.00 -999 ? >ILE^A 33 -45.72 -14.28 -5.80 -46.48 -15.36 -6.35 -46.10 -14.82 -6.07 3 0 1000.00 -999 ? >TYR^A 34 -49.95 -10.14 -3.28 -50.35 -7.75 -4.70 -50.15 -8.94 -3.99 3 0 1000.00 -999 ? >ASP^A 35 -49.43 -15.23 0.44 -49.11 -16.26 2.29 -49.27 -15.74 1.37 2 0 1000.00 -999 ? >LEU^A 36 -45.49 -18.59 -1.79 -44.83 -20.22 -3.06 -45.16 -19.40 -2.43 3 0 1000.00 -999 ? >VAL^A 37 -47.22 -21.59 1.39 -48.30 -21.29 3.27 -47.76 -21.44 2.33 3 0 1000.00 -999 ? >VAL^A 38 -46.09 -25.10 0.48 -44.88 -25.49 -1.27 -45.48 -25.29 -0.40 3 0 1000.00 -999 ? >GLU^A 39 -47.18 -26.06 4.85 -48.32 -25.05 6.33 -47.75 -25.56 5.59 2 0 1000.00 -999 ? >PRO.A 40 -45.33 -31.07 0.72 -47.32 -30.57 1.56 -46.32 -30.82 1.14 3 0 1000.00 -999 ? >PRO.A 41 -51.86 -33.28 1.14 -49.89 -32.32 0.79 -50.87 -32.80 0.96 3 0 1000.00 -999 ? >ARG^A 42 -54.32 -29.07 0.18 -55.53 -31.83 0.78 -54.93 -30.45 0.48 2 0 1000.00 -999 ? >ALA^A 43 -49.67 -25.57 -1.91 -48.91 -25.80 -3.20 -49.29 -25.68 -2.56 2 0 1000.00 -999 ? >TYR^A 44 -52.55 -20.48 -0.10 -53.71 -17.94 0.19 -53.13 -19.21 0.04 3 0 1000.00 -999 ? >VAL^A 45 -50.49 -19.01 -3.49 -49.82 -18.94 -5.59 -50.16 -18.97 -4.54 3 0 1000.00 -999 ? >ARG^A 46 -54.07 -13.27 -0.86 -52.09 -13.37 1.49 -53.08 -13.32 0.31 2 0 1000.00 -999 ? >MET?A 47 -51.26 -13.41 -6.36 -51.13 -16.04 -9.81 -51.19 -14.72 -8.08 2 0 1000.00 -999 ? >THR^A 48 -52.48 -10.49 -8.44 -52.10 -8.36 -8.18 -52.29 -9.43 -8.31 2 0 1000.00 -999 ? >LEU^A 49 -53.72 -9.63 -12.91 -54.47 -11.63 -13.36 -54.10 -10.63 -13.13 3 0 1000.00 -999 ? >THR^A 50 -50.87 -6.22 -13.60 -49.45 -6.86 -15.08 -50.16 -6.54 -14.34 2 0 1000.00 -999 ? >THR^A 51 -54.16 -4.69 -14.69 -54.02 -5.14 -16.81 -54.09 -4.91 -15.75 2 0 1000.00 -999 ? >PRO^A 52 -57.61 -2.22 -13.81 -56.92 -4.28 -13.29 -57.26 -3.25 -13.55 3 0 1000.00 -999 ? >GLY^A 53 -60.40 -6.76 -13.84 -59.74 -7.09 -13.55 -60.07 -6.92 -13.69 1 0 1000.00 -999 ? >CSS^A 54 -60.93 -10.48 -14.20 -62.14 -11.12 -11.77 -61.53 -10.80 -12.98 2 0 1000.00 -999 ? >PRO^A 55 -58.01 -12.85 -16.50 -59.85 -11.66 -16.88 -58.93 -12.25 -16.69 3 0 1000.00 -999 ? >LEU^A 56 -62.21 -14.16 -21.13 -64.29 -14.78 -21.11 -63.25 -14.47 -21.12 3 0 1000.00 -999 ? >HIS^A 57 -59.56 -18.13 -21.34 -60.89 -19.30 -22.47 -60.22 -18.72 -21.91 3 0 1000.00 -999 ? >ASP^A 58 -57.20 -16.52 -14.70 -55.60 -15.92 -13.43 -56.40 -16.22 -14.06 2 0 1000.00 -999 ? >SER^A 59 -53.89 -17.84 -18.14 -54.50 -17.67 -20.48 -54.20 -17.76 -19.31 2 0 1000.00 -999 ? >LEU^A 60 -51.05 -14.96 -15.45 -49.07 -14.12 -15.23 -50.06 -14.54 -15.34 3 0 1000.00 -999 ? >GLY^A 61 -52.99 -17.90 -12.74 -52.76 -18.27 -13.48 -52.87 -18.09 -13.11 1 0 1000.00 -999 ? >GLU^A 62 -53.80 -22.83 -16.54 -54.72 -24.31 -15.35 -54.26 -23.57 -15.95 2 0 1000.00 -999 ? >ALA^A 63 -49.44 -21.07 -15.42 -48.77 -20.00 -16.25 -49.11 -20.54 -15.84 2 0 1000.00 -999 ? >VAL^A 64 -48.63 -20.44 -11.76 -48.60 -18.76 -10.34 -48.61 -19.60 -11.05 3 0 1000.00 -999 ? >ARG^A 65 -52.71 -26.07 -10.64 -52.73 -27.84 -13.14 -52.72 -26.95 -11.89 2 0 1000.00 -999 ? >GLN^A 66 -50.43 -25.41 -15.30 -50.76 -27.03 -16.64 -50.60 -26.22 -15.97 2 0 1000.00 -999 ? >ALA^A 67 -45.63 -24.57 -12.05 -45.12 -23.13 -12.00 -45.37 -23.85 -12.03 2 0 1000.00 -999 ? >LEU^A 68 -47.34 -24.61 -7.50 -46.85 -22.71 -6.57 -47.10 -23.66 -7.03 3 0 1000.00 -999 ? >SER^A 69 -47.91 -28.72 -9.32 -48.58 -28.92 -11.65 -48.24 -28.82 -10.48 2 0 1000.00 -999 ? >ARG^A 70 -44.42 -29.60 -13.59 -47.25 -28.83 -14.52 -45.84 -29.22 -14.05 2 0 1000.00 -999 ? >LEU^A 71 -43.81 -28.88 -5.73 -42.87 -26.98 -5.32 -43.34 -27.93 -5.53 3 0 1000.00 -999 ? >PRO^A 72 -40.84 -33.13 -5.74 -43.03 -32.73 -5.59 -41.94 -32.93 -5.67 3 0 1000.00 -999 ? >GLY^A 73 -46.06 -34.44 -3.11 -46.14 -33.86 -3.60 -46.10 -34.15 -3.36 1 0 1000.00 -999 ? >VAL^A 74 -48.29 -31.45 -3.89 -47.74 -29.33 -3.97 -48.02 -30.39 -3.93 3 0 1000.00 -999 ? >GLU^A 75 -51.22 -35.35 -3.84 -51.67 -37.29 -4.69 -51.45 -36.32 -4.27 2 0 1000.00 -999 ? >GLU^A 76 -55.46 -28.55 -3.07 -57.01 -28.69 -1.65 -56.23 -28.62 -2.36 2 0 1000.00 -999 ? >VAL^A 77 -52.69 -26.27 -5.47 -50.94 -25.85 -6.71 -51.82 -26.06 -6.09 3 0 1000.00 -999 ? >GLU^A 78 -56.56 -22.11 -2.96 -57.24 -21.81 -0.97 -56.90 -21.96 -1.97 2 0 1000.00 -999 ? >VAL^A 79 -54.25 -20.17 -6.49 -53.06 -20.06 -8.32 -53.66 -20.12 -7.41 3 0 1000.00 -999 ? >GLU^A 80 -57.02 -18.07 -2.99 -58.93 -18.63 -3.73 -57.98 -18.35 -3.36 2 0 1000.00 -999 ? >VAL^A 81 -56.13 -14.07 -7.47 -55.94 -14.10 -9.63 -56.04 -14.09 -8.55 3 0 1000.00 -999 ? >THR^A 82 -56.77 -10.82 -5.65 -56.02 -10.30 -3.65 -56.40 -10.56 -4.65 2 0 1000.00 -999 ? >PHE^A 83 -57.74 -7.15 -8.49 -57.89 -8.55 -10.92 -57.81 -7.85 -9.70 3 0 1000.00 -999 ? >GLU^A 84 -58.33 -5.80 -2.09 -59.99 -6.03 -0.78 -59.16 -5.92 -1.44 2 0 1000.00 -999 ? >PRO^A 85 -51.36 -5.24 -1.73 -53.54 -5.36 -2.18 -52.45 -5.30 -1.96 3 0 1000.00 -999 ? >PRO^A 86 -54.30 -1.26 -5.08 -53.71 -3.42 -5.30 -54.00 -2.34 -5.19 3 0 1000.00 -999 ? >TRP^A 87 -47.79 -6.05 -8.78 -46.98 -4.25 -12.18 -47.38 -5.15 -10.48 3 0 1000.00 -999 ? >THR^A 88 -48.15 -1.14 -9.37 -48.25 0.37 -7.79 -48.20 -0.39 -8.58 2 0 1000.00 -999 ? >LEU^A 89 -44.17 -0.18 -11.98 -44.26 -0.48 -14.11 -44.22 -0.33 -13.05 3 0 1000.00 -999 ? >ALA^A 90 -43.31 -0.14 -7.43 -44.01 0.76 -6.39 -43.66 0.31 -6.91 2 0 1000.00 -999 ? >ARG^A 91 -47.08 -4.77 -5.45 -47.68 -4.88 -2.42 -47.38 -4.82 -3.94 2 0 1000.00 -999 ? >LEU^A 92 -40.33 -3.95 -10.43 -41.57 -3.81 -12.19 -40.95 -3.88 -11.31 3 0 1000.00 -999 ? >SER^A 93 -37.64 -6.34 -7.71 -36.86 -8.13 -9.13 -37.25 -7.24 -8.42 2 0 1000.00 -999 ? >GLU^A 94 -32.07 -3.61 -7.39 -32.99 -1.71 -7.29 -32.53 -2.66 -7.34 2 0 1000.00 -999 ? >LYS^A 95 -33.35 -7.32 -10.76 -32.76 -13.46 -12.27 -33.06 -10.39 -11.51 2 0 1000.00 -999 ? >ALA^A 96 -36.47 -6.45 -12.75 -37.89 -6.51 -12.23 -37.18 -6.48 -12.49 2 0 1000.00 -999 ? >PRO^B 6 -37.34 2.01 29.00 -36.94 1.42 26.88 -37.14 1.71 27.94 3 0 1000.00 -999 ? >LEU^B 7 -41.09 -0.94 27.85 -41.49 -1.47 29.91 -41.29 -1.20 28.88 3 0 1000.00 -999 ? >GLU^B 8 -40.69 0.80 21.29 -42.80 1.05 21.24 -41.75 0.93 21.26 2 0 1000.00 -999 ? >ALA^B 9 -36.99 -2.39 22.63 -35.61 -1.89 23.01 -36.30 -2.14 22.82 2 0 1000.00 -999 ? >GLN^B 10 -37.99 -6.36 27.30 -38.60 -6.20 29.34 -38.30 -6.28 28.32 2 0 1000.00 -999 ? >ALA^B 11 -41.28 -5.44 23.36 -42.23 -4.26 23.17 -41.75 -4.85 23.27 2 0 1000.00 -999 ? >TRP^B 12 -39.51 -2.43 18.88 -42.20 -3.55 16.22 -40.85 -2.99 17.55 3 0 1000.00 -999 ? >ALA^B 13 -37.46 -8.67 21.16 -36.42 -8.55 22.29 -36.94 -8.61 21.72 2 0 1000.00 -999 ? >LEU^B 14 -41.40 -9.93 23.72 -41.15 -10.09 25.86 -41.28 -10.01 24.79 3 0 1000.00 -999 ? >LEU^B 15 -42.95 -9.00 18.74 -44.76 -8.04 19.45 -43.85 -8.52 19.09 3 0 1000.00 -999 ? >GLU^B 16 -37.94 -9.44 16.81 -36.14 -8.36 17.15 -37.04 -8.90 16.98 2 0 1000.00 -999 ? >ALA^B 17 -39.77 -14.73 19.31 -39.37 -14.85 20.79 -39.57 -14.79 20.05 2 0 1000.00 -999 ? >VAL^B 18 -43.43 -15.11 18.30 -45.21 -14.10 19.08 -44.32 -14.61 18.69 3 0 1000.00 -999 ? >TYR^B 19 -41.13 -18.28 15.27 -38.42 -17.55 15.36 -39.78 -17.92 15.32 3 0 1000.00 -999 ? >ASP^B 20 -46.34 -16.80 11.39 -48.03 -17.24 10.19 -47.18 -17.02 10.79 2 0 1000.00 -999 ? >PRO^B 21 -48.79 -21.22 12.58 -46.67 -20.85 12.00 -47.73 -21.03 12.29 3 0 1000.00 -999 ? >GLU^B 22 -50.12 -20.97 7.83 -51.66 -20.31 6.53 -50.89 -20.64 7.18 2 0 1000.00 -999 ? >LEU^B 23 -44.44 -17.72 7.00 -46.10 -17.50 5.61 -45.27 -17.61 6.31 3 0 1000.00 -999 ? >GLY^B 24 -41.94 -20.50 9.78 -42.09 -19.72 9.58 -42.02 -20.11 9.68 1 0 1000.00 -999 ? >LEU^B 25 -40.77 -16.03 9.35 -39.36 -16.17 7.71 -40.07 -16.10 8.53 3 0 1000.00 -999 ? >ASP^B 26 -40.43 -13.98 14.44 -39.18 -12.51 13.58 -39.81 -13.25 14.01 2 0 1000.00 -999 ? >VAL^B 27 -44.28 -11.90 13.25 -45.42 -12.04 15.11 -44.85 -11.97 14.18 3 0 1000.00 -999 ? >VAL^B 28 -41.78 -9.03 13.24 -40.69 -8.00 14.84 -41.23 -8.52 14.04 3 0 1000.00 -999 ? >ASN^B 29 -38.46 -11.22 10.44 -36.76 -10.52 11.49 -37.61 -10.87 10.97 2 0 1000.00 -999 ? >LEU^B 30 -43.76 -12.20 9.04 -43.98 -14.28 8.43 -43.87 -13.24 8.74 3 0 1000.00 -999 ? >GLY^B 31 -43.92 -7.60 8.70 -44.33 -8.22 9.03 -44.13 -7.91 8.87 1 0 1000.00 -999 ? >LEU^B 32 -47.54 -9.82 11.04 -48.06 -11.59 9.92 -47.80 -10.70 10.48 3 0 1000.00 -999 ? >ILE^B 33 -45.71 -5.81 14.28 -46.47 -6.36 15.36 -46.09 -6.09 14.82 3 0 1000.00 -999 ? >TYR^B 34 -49.93 -3.30 10.13 -50.31 -4.70 7.73 -50.12 -4.00 8.93 3 0 1000.00 -999 ? >ASP^B 35 -49.40 0.45 15.21 -49.07 2.29 16.26 -49.23 1.37 15.74 2 0 1000.00 -999 ? >LEU^B 36 -45.56 -1.79 18.63 -44.86 -3.06 20.24 -45.21 -2.43 19.43 3 0 1000.00 -999 ? >VAL^B 37 -47.22 1.40 21.61 -48.29 3.29 21.35 -47.75 2.34 21.48 3 0 1000.00 -999 ? >VAL^B 38 -46.10 0.45 25.11 -44.94 -1.34 25.53 -45.52 -0.44 25.32 3 0 1000.00 -999 ? >GLU^B 39 -47.18 4.86 26.07 -48.34 6.33 25.07 -47.76 5.60 25.57 2 0 1000.00 -999 ? >PRO^B 40 -45.33 0.71 31.10 -47.31 1.57 30.57 -46.32 1.14 30.83 3 0 1000.00 -999 ? >PRO^B 41 -51.86 1.11 33.25 -49.88 0.79 32.30 -50.87 0.95 32.78 3 0 1000.00 -999 ? >ARG^B 42 -53.81 2.37 28.63 -55.98 2.33 30.80 -54.89 2.35 29.71 2 0 1000.00 -999 ? >ALA^B 43 -49.63 -1.90 25.54 -48.87 -3.19 25.75 -49.25 -2.55 25.65 2 0 1000.00 -999 ? >TYR^B 44 -52.56 -0.11 20.46 -53.72 0.19 17.92 -53.14 0.04 19.19 3 0 1000.00 -999 ? >VAL^B 45 -50.49 -3.47 18.99 -49.82 -5.56 18.93 -50.15 -4.51 18.96 3 0 1000.00 -999 ? >ARG^B 46 -54.06 -0.84 13.27 -52.10 1.52 13.37 -53.08 0.34 13.32 2 0 1000.00 -999 ? >MET?B 47 -51.24 -6.36 13.41 -51.13 -9.81 16.04 -51.18 -8.09 14.73 2 0 1000.00 -999 ? >THR^B 48 -52.47 -8.44 10.51 -52.10 -8.16 8.38 -52.29 -8.30 9.44 2 0 1000.00 -999 ? >LEU^B 49 -53.74 -12.90 9.65 -54.51 -13.35 11.66 -54.13 -13.13 10.66 3 0 1000.00 -999 ? >THR^B 50 -50.87 -13.60 6.25 -49.43 -15.06 6.90 -50.15 -14.33 6.57 2 0 1000.00 -999 ? >THR^B 51 -54.17 -14.69 4.70 -54.04 -16.81 5.16 -54.10 -15.75 4.93 2 0 1000.00 -999 ? >PRO^B 52 -57.63 -13.82 2.23 -56.94 -13.31 4.29 -57.28 -13.56 3.26 3 0 1000.00 -999 ? >GLY^B 53 -60.45 -13.86 6.74 -59.78 -13.57 7.07 -60.11 -13.72 6.90 1 0 1000.00 -999 ? >CSS^B 54 -60.95 -14.22 10.48 -62.16 -11.80 11.13 -61.56 -13.01 10.80 2 0 1000.00 -999 ? >PRO^B 55 -58.01 -16.52 12.83 -59.87 -16.89 11.65 -58.94 -16.71 12.24 3 0 1000.00 -999 ? >LEU^B 56 -62.26 -21.15 14.19 -63.80 -21.25 12.66 -63.03 -21.20 13.43 3 0 1000.00 -999 ? >HIS^B 57 -59.63 -21.34 18.09 -61.00 -22.53 19.14 -60.31 -21.94 18.61 3 0 1000.00 -999 ? >ASP^B 58 -57.19 -14.71 16.52 -55.58 -13.45 15.88 -56.39 -14.08 16.20 2 0 1000.00 -999 ? >SER^B 59 -53.94 -18.09 17.98 -53.28 -19.77 16.38 -53.61 -18.93 17.18 2 0 1000.00 -999 ? >LEU^B 60 -51.09 -15.49 14.95 -49.12 -15.15 14.12 -50.11 -15.32 14.54 3 0 1000.00 -999 ? >GLY^B 61 -52.93 -12.72 17.90 -52.73 -13.47 18.27 -52.83 -13.09 18.09 1 0 1000.00 -999 ? >GLU^B 62 -53.79 -16.54 22.83 -54.70 -15.34 24.32 -54.25 -15.94 23.57 2 0 1000.00 -999 ? >ALA^B 63 -49.45 -15.40 21.09 -48.77 -16.24 20.01 -49.11 -15.82 20.55 2 0 1000.00 -999 ? >VAL^B 64 -48.61 -11.76 20.43 -48.59 -10.33 18.76 -48.60 -11.04 19.60 3 0 1000.00 -999 ? >ARG^B 65 -52.72 -10.65 26.03 -52.74 -13.16 27.81 -52.73 -11.91 26.92 2 0 1000.00 -999 ? >GLN^B 66 -50.31 -15.40 25.32 -50.73 -16.59 27.03 -50.52 -16.00 26.17 2 0 1000.00 -999 ? >ALA^B 67 -45.61 -12.06 24.58 -45.10 -12.03 23.14 -45.35 -12.04 23.86 2 0 1000.00 -999 ? >LEU^B 68 -47.36 -7.51 24.59 -46.90 -6.58 22.69 -47.13 -7.05 23.64 3 0 1000.00 -999 ? >SER^B 69 -47.91 -9.31 28.72 -48.54 -11.66 28.91 -48.23 -10.48 28.81 2 0 1000.00 -999 ? >ARG^B 70 -43.32 -13.80 29.23 -41.14 -14.60 27.22 -42.23 -14.20 28.22 2 0 1000.00 -999 ? >LEU^B 71 -43.83 -5.74 28.89 -42.97 -5.30 26.95 -43.40 -5.52 27.92 3 0 1000.00 -999 ? >PRO^B 72 -41.10 -4.64 32.92 -43.09 -5.64 32.76 -42.09 -5.14 32.84 3 0 1000.00 -999 ? >GLY^B 73 -46.07 -3.08 34.43 -46.16 -3.60 33.85 -46.12 -3.34 34.14 1 0 1000.00 -999 ? >VAL^B 74 -48.26 -3.91 31.43 -47.71 -3.97 29.31 -47.98 -3.94 30.37 3 0 1000.00 -999 ? >GLU^B 75 -51.48 -4.50 35.42 -52.39 -3.63 37.12 -51.93 -4.07 36.27 2 0 1000.00 -999 ? >GLU^B 76 -55.55 -3.12 28.55 -56.84 -1.45 28.53 -56.20 -2.29 28.54 2 0 1000.00 -999 ? >VAL^B 77 -52.67 -5.49 26.25 -50.93 -6.74 25.85 -51.80 -6.12 26.05 3 0 1000.00 -999 ? >GLU^B 78 -56.54 -2.96 22.09 -57.18 -0.96 21.78 -56.86 -1.96 21.94 2 0 1000.00 -999 ? >VAL^B 79 -54.26 -6.51 20.18 -53.07 -8.35 20.07 -53.66 -7.43 20.13 3 0 1000.00 -999 ? >GLU^B 80 -57.00 -2.99 18.11 -58.91 -3.70 18.69 -57.96 -3.34 18.40 2 0 1000.00 -999 ? >VAL^B 81 -56.14 -7.47 14.08 -55.94 -9.63 14.10 -56.04 -8.55 14.09 3 0 1000.00 -999 ? >THR^B 82 -56.78 -5.64 10.82 -56.04 -3.65 10.31 -56.41 -4.65 10.57 2 0 1000.00 -999 ? >PHE^B 83 -57.72 -8.49 7.16 -57.92 -10.90 8.59 -57.82 -9.69 7.87 3 0 1000.00 -999 ? >GLU^B 84 -58.36 -2.12 5.81 -60.03 -0.84 6.05 -59.20 -1.48 5.93 2 0 1000.00 -999 ? >PRO^B 85 -51.35 -1.77 5.23 -53.54 -2.20 5.34 -52.44 -1.98 5.28 3 0 1000.00 -999 ? >PRO^B 86 -54.28 -5.14 1.26 -53.71 -5.32 3.42 -53.99 -5.23 2.34 3 0 1000.00 -999 ? >TRP^B 87 -47.77 -8.79 6.03 -46.96 -12.21 4.25 -47.36 -10.50 5.14 3 0 1000.00 -999 ? >THR^B 88 -48.13 -9.38 1.15 -48.23 -7.80 -0.36 -48.18 -8.59 0.39 2 0 1000.00 -999 ? >LEU^B 89 -44.16 -11.96 0.15 -44.29 -14.08 0.49 -44.22 -13.02 0.32 3 0 1000.00 -999 ? >ALA^B 90 -43.28 -7.43 0.13 -43.99 -6.40 -0.76 -43.64 -6.92 -0.31 2 0 1000.00 -999 ? >ARG^B 91 -47.06 -5.45 4.73 -47.67 -2.44 4.89 -47.37 -3.95 4.81 2 0 1000.00 -999 ? >LEU^B 92 -40.36 -10.42 3.95 -41.48 -12.26 3.90 -40.92 -11.34 3.93 3 0 1000.00 -999 ? >SER^B 93 -37.64 -7.71 6.34 -36.84 -9.11 8.12 -37.24 -8.41 7.23 2 0 1000.00 -999 ? >GLU^B 94 -32.15 -7.39 3.51 -33.16 -7.14 1.67 -32.66 -7.27 2.59 2 0 1000.00 -999 ? >LYS^B 95 -33.38 -10.82 7.30 -33.07 -12.53 13.40 -33.23 -11.68 10.35 2 0 1000.00 -999 ? >ALA^B 96 -36.53 -12.78 6.48 -37.94 -12.23 6.51 -37.24 -12.51 6.50 2 0 1000.00 -999 ?