REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-JUN-05 2CXD COMPND CONSERVED HYPOTHETICAL PROTEIN, TTHA0068; 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: PET11 AUTHOR S.KISHISHITA,K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 77 8 HET MSE B 1 8 HET MSE B 77 8 >MET?A 1 48.00 32.89 8.43 44.95 32.13 6.66 46.47 32.51 7.54 2 0 1000.00 -999 ? >VAL.A 2 50.15 34.42 11.16 52.10 34.15 10.21 51.13 34.28 10.69 3 0 1000.00 -999 ? >PRO.A 3 49.30 35.67 15.15 49.68 36.74 13.22 49.49 36.21 14.18 3 0 1000.00 -999 ? >ASP~A 4 50.31 41.97 12.17 51.60 43.57 11.66 50.95 42.77 11.91 2 0 1000.00 -999 ? >TRP~A 5 54.54 37.78 15.79 51.88 36.78 18.51 53.21 37.28 17.15 3 0 1000.00 -999 ? >GLU~A 6 55.74 44.93 13.85 57.10 45.47 15.39 56.42 45.20 14.62 2 0 1000.00 -999 ? >GLU~A 7 47.55 45.26 14.88 46.06 44.08 13.92 46.81 44.67 14.40 2 0 1000.00 -999 ? >VAL~A 8 49.57 43.15 18.65 49.24 41.00 18.89 49.41 42.07 18.77 3 0 1000.00 -999 ? >LEU~A 9 54.01 44.61 19.99 55.39 43.07 20.61 54.70 43.84 20.30 3 0 1000.00 -999 ? >GLY~A 10 51.12 48.11 19.78 50.75 47.46 20.17 50.94 47.79 19.98 1 0 1000.00 -999 ? >LEU~A 11 46.89 46.05 20.98 45.41 46.35 19.43 46.15 46.20 20.20 3 0 1000.00 -999 ? >TRP~A 12 52.58 44.36 25.94 51.15 41.11 27.64 51.86 42.74 26.79 3 0 1000.00 -999 ? >ARG~A 13 55.25 49.03 23.26 55.20 48.51 20.24 55.22 48.77 21.75 2 0 1000.00 -999 ? >ALA~A 14 48.83 50.62 25.15 48.03 50.98 23.91 48.43 50.80 24.53 2 0 1000.00 -999 ? >GLY.A 15 47.19 48.26 27.63 46.93 48.34 26.86 47.06 48.30 27.25 1 0 1000.00 -999 ? >ARG~A 16 43.76 49.95 22.49 45.77 52.02 21.43 44.77 50.98 21.96 2 0 1000.00 -999 ? >TYR~A 17 45.63 43.88 28.64 48.03 44.91 29.68 46.83 44.40 29.16 3 0 1000.00 -999 ? >TYR~A 18 38.24 43.12 24.77 36.13 41.85 23.43 37.18 42.49 24.10 3 0 1000.00 -999 ? >GLU~A 19 41.03 46.30 21.34 41.52 48.30 20.91 41.27 47.30 21.13 2 0 1000.00 -999 ? >VAL~A 20 44.96 41.76 21.98 46.87 41.74 23.05 45.92 41.75 22.52 3 0 1000.00 -999 ? >HIS~A 21 40.77 37.67 24.04 39.48 36.01 24.01 40.13 36.84 24.02 3 0 1000.00 -999 ? >GLU~A 22 38.43 41.31 20.57 36.88 39.86 20.43 37.65 40.59 20.50 2 0 1000.00 -999 ? >VAL~A 23 43.18 39.69 17.37 44.61 41.20 16.70 43.90 40.44 17.04 3 0 1000.00 -999 ? >LEU~A 24 45.77 36.46 19.82 47.78 37.28 19.77 46.77 36.87 19.79 3 0 1000.00 -999 ? >GLU~A 25 39.61 33.49 20.34 37.80 34.09 21.23 38.70 33.79 20.79 2 0 1000.00 -999 ? >PRO~A 26 40.26 35.52 15.45 41.27 33.71 16.27 40.76 34.62 15.86 3 0 1000.00 -999 ? >TYR~A 27 46.03 34.43 14.31 45.97 36.44 12.37 46.00 35.43 13.34 3 0 1000.00 -999 ? >TRP~A 28 45.04 28.90 21.35 41.26 28.60 22.39 43.15 28.75 21.87 3 0 1000.00 -999 ? >LEU~A 29 40.39 29.03 17.04 38.72 29.51 18.35 39.56 29.27 17.70 3 0 1000.00 -999 ? >LYS~A 30 43.35 27.32 14.14 39.40 28.87 10.78 41.37 28.10 12.46 2 0 1000.00 -999 ? >ALA~A 31 46.83 26.81 15.63 47.53 27.81 16.54 47.18 27.31 16.08 2 0 1000.00 -999 ? >THR~A 32 48.48 23.54 16.63 49.01 21.90 15.32 48.74 22.72 15.98 2 0 1000.00 -999 ? >GLY~A 33 51.49 22.37 18.64 51.08 23.03 18.73 51.28 22.70 18.68 1 0 1000.00 -999 ? >GLU~A 34 56.15 23.85 20.25 58.25 24.10 20.19 57.20 23.97 20.22 2 0 1000.00 -999 ? >GLU~A 35 53.24 27.99 15.60 52.82 27.96 13.53 53.03 27.98 14.56 2 0 1000.00 -999 ? >ARG~A 36 46.06 24.53 20.23 43.14 25.19 19.55 44.60 24.86 19.89 2 0 1000.00 -999 ? >ARG~A 37 52.68 23.83 23.95 55.32 23.73 25.52 54.00 23.78 24.73 2 0 1000.00 -999 ? >LEU~A 38 53.25 30.67 21.05 54.40 32.49 20.82 53.83 31.58 20.94 3 0 1000.00 -999 ? >LEU~A 39 48.33 31.64 19.97 48.53 32.36 17.95 48.43 32.00 18.96 3 0 1000.00 -999 ? >GLN~A 40 46.08 29.04 25.78 44.01 29.49 25.58 45.05 29.26 25.68 2 0 1000.00 -999 ? >GLY~A 41 49.98 31.81 26.56 49.54 32.27 26.02 49.76 32.04 26.29 1 0 1000.00 -999 ? >VAL~A 42 49.92 35.40 25.30 50.85 36.46 23.65 50.38 35.93 24.47 3 0 1000.00 -999 ? >ILE~A 43 45.18 34.43 24.75 44.09 34.12 23.86 44.63 34.27 24.30 3 0 1000.00 -999 ? >LEU~A 44 46.78 32.79 29.53 45.67 30.94 29.52 46.22 31.86 29.53 3 0 1000.00 -999 ? >LEU~A 45 50.12 37.12 29.50 51.98 36.16 30.04 51.05 36.64 29.77 3 0 1000.00 -999 ? >ALA~A 46 46.50 39.55 28.59 46.03 39.62 27.15 46.27 39.58 27.87 2 0 1000.00 -999 ? >ALA~A 47 43.59 38.05 30.55 43.07 36.62 30.36 43.33 37.33 30.45 2 0 1000.00 -999 ? >ALA~A 48 45.56 38.03 33.81 46.88 37.29 34.04 46.22 37.66 33.93 2 0 1000.00 -999 ? >LEU~A 49 47.48 42.19 32.22 49.64 42.23 32.33 48.56 42.21 32.28 3 0 1000.00 -999 ? >HIS~A 50 40.76 42.67 31.28 38.90 43.65 31.23 39.83 43.16 31.25 3 0 1000.00 -999 ? >GLN~A 51 40.93 38.65 35.05 38.90 39.31 35.10 39.92 38.98 35.08 2 0 1000.00 -999 ? >ARG~A 52 46.60 43.41 39.92 46.70 40.35 40.28 46.65 41.88 40.10 2 0 1000.00 -999 ? >ARG~A 53 42.23 47.99 33.10 43.74 48.08 30.45 42.98 48.03 31.78 2 0 1000.00 -999 ? >LEU~A 54 38.77 44.24 36.86 37.73 44.46 34.99 38.25 44.35 35.92 3 0 1000.00 -999 ? >GLY.A 55 41.12 44.48 40.98 40.85 43.91 40.45 40.99 44.20 40.71 1 0 1000.00 -999 ? >ARG.A 56 36.92 40.58 38.94 35.15 38.11 38.47 36.04 39.35 38.71 2 0 1000.00 -999 ? >PRO.A 57 41.18 37.10 42.70 42.09 38.12 40.95 41.63 37.61 41.83 3 0 1000.00 -999 ? >GLY~A 58 44.81 36.97 37.88 45.13 36.63 38.55 44.97 36.80 38.22 1 0 1000.00 -999 ? >LEU~A 59 47.94 34.57 40.70 49.30 35.92 41.69 48.62 35.24 41.20 3 0 1000.00 -999 ? >ARG~A 60 42.06 29.84 38.31 40.79 28.84 35.70 41.43 29.34 37.01 2 0 1000.00 -999 ? >ASN~A 61 44.96 34.09 33.88 42.91 33.71 33.41 43.93 33.90 33.64 2 0 1000.00 -999 ? >LEU~A 62 49.92 34.48 36.03 51.88 35.39 35.97 50.90 34.94 36.00 3 0 1000.00 -999 ? >ARG~A 63 51.18 31.03 38.69 53.10 32.92 40.15 52.14 31.97 39.42 2 0 1000.00 -999 ? >LYS~A 64 48.32 28.68 33.13 42.35 27.31 31.56 45.33 27.99 32.35 2 0 1000.00 -999 ? >ALA~A 65 50.15 31.10 30.82 50.16 32.63 30.97 50.15 31.86 30.89 2 0 1000.00 -999 ? >GLU~A 66 54.18 31.56 34.18 54.76 31.69 36.20 54.47 31.62 35.19 2 0 1000.00 -999 ? >ALA~A 67 52.69 26.33 31.69 51.53 25.55 32.31 52.11 25.94 32.00 2 0 1000.00 -999 ? >ARG~A 68 48.91 26.32 27.11 46.88 25.22 29.12 47.89 25.77 28.11 2 0 1000.00 -999 ? >LEU~A 69 55.10 30.58 27.92 54.07 32.28 27.07 54.59 31.43 27.50 3 0 1000.00 -999 ? >GLU~A 70 57.86 25.30 31.53 59.02 26.64 32.68 58.44 25.97 32.11 2 0 1000.00 -999 ? >GLY.A 71 59.98 25.35 27.39 59.57 25.93 27.11 59.78 25.64 27.25 1 0 1000.00 -999 ? >LEU.A 72 57.87 28.06 23.93 55.84 27.55 23.38 56.85 27.80 23.66 3 0 1000.00 -999 ? >PRO.A 73 60.70 27.41 20.10 61.25 28.04 22.17 60.97 27.73 21.14 3 0 1000.00 -999 ? >CYH.A 74 62.18 32.19 21.92 61.59 34.50 23.41 61.89 33.35 22.67 2 0 1000.00 -999 ? >PRO.A 75 63.17 34.73 18.07 62.31 33.77 19.88 62.74 34.25 18.98 3 0 1000.00 -999 ? >LEU.A 76 58.05 31.09 19.29 56.70 29.43 18.93 57.37 30.26 19.11 3 0 1000.00 -999 ? >MET?A 77 56.56 33.08 15.29 52.56 31.77 16.20 54.56 32.42 15.74 2 0 1000.00 -999 ? >GLY.A 78 58.77 36.15 15.30 58.36 35.90 15.96 58.56 36.03 15.63 1 0 1000.00 -999 ? >LEU.A 79 56.27 36.80 19.23 55.08 37.80 20.74 55.67 37.30 19.99 3 0 1000.00 -999 ? >ASP~A 80 60.89 38.74 22.09 61.80 38.71 24.00 61.34 38.73 23.04 2 0 1000.00 -999 ? >TRP~A 81 58.15 33.04 23.17 58.87 31.61 26.77 58.51 32.32 24.97 3 0 1000.00 -999 ? >ARG~A 82 62.71 33.79 28.14 63.46 31.21 26.66 63.08 32.50 27.40 2 0 1000.00 -999 ? >SER~A 83 59.84 39.86 27.44 61.64 40.71 26.07 60.74 40.28 26.76 2 0 1000.00 -999 ? >LEU~A 84 55.10 39.30 26.52 54.86 40.37 24.65 54.98 39.84 25.58 3 0 1000.00 -999 ? >LEU~A 85 56.61 35.84 30.28 56.12 34.24 31.64 56.37 35.04 30.96 3 0 1000.00 -999 ? >GLN~A 86 60.90 38.28 31.53 62.71 38.64 30.47 61.81 38.46 31.00 2 0 1000.00 -999 ? >GLU~A 87 55.31 44.31 30.90 54.48 45.06 29.10 54.90 44.69 30.00 2 0 1000.00 -999 ? >ALA~A 88 53.44 40.65 33.02 52.86 39.43 32.33 53.15 40.04 32.67 2 0 1000.00 -999 ? >ARG~A 89 57.46 36.26 35.64 58.70 33.69 34.54 58.08 34.97 35.09 2 0 1000.00 -999 ? >ARG~A 90 59.53 44.35 35.74 59.67 44.08 32.69 59.60 44.22 34.22 2 0 1000.00 -999 ? >ARG~A 91 52.01 45.48 33.03 52.47 48.39 32.15 52.24 46.93 32.59 2 0 1000.00 -999 ? >LEU~A 92 50.86 40.03 37.82 49.38 39.63 36.30 50.12 39.83 37.06 3 0 1000.00 -999 ? >GLY~A 93 53.56 41.59 41.38 53.44 40.94 40.89 53.50 41.27 41.13 1 0 1000.00 -999 ? >ALA.A 94 54.59 37.99 40.79 53.65 37.09 39.98 54.12 37.54 40.39 2 0 1000.00 -999 ? >MET?B 1 39.86 41.95 55.50 38.42 41.07 51.53 39.14 41.51 53.52 2 0 1000.00 -999 ? >VAL.B 2 42.28 39.56 57.20 42.15 40.09 59.31 42.22 39.83 58.26 3 0 1000.00 -999 ? >PRO.B 3 44.63 37.00 54.73 42.93 36.69 56.16 43.78 36.85 55.44 3 0 1000.00 -999 ? >ASP~B 4 40.64 32.07 57.78 40.22 30.74 59.35 40.43 31.41 58.56 2 0 1000.00 -999 ? >TRP~B 5 46.39 35.28 60.12 48.10 35.52 56.58 47.25 35.40 58.35 3 0 1000.00 -999 ? >GLU~B 6 42.97 27.13 62.04 44.78 26.69 63.03 43.87 26.91 62.54 2 0 1000.00 -999 ? >GLU~B 7 41.54 28.26 54.88 39.95 29.39 54.04 40.74 28.83 54.46 2 0 1000.00 -999 ? >VAL~B 8 45.97 29.18 55.21 46.49 31.16 54.46 46.23 30.17 54.84 3 0 1000.00 -999 ? >LEU~B 9 48.59 27.86 59.12 49.71 29.51 59.96 49.15 28.69 59.54 3 0 1000.00 -999 ? >GLY~B 10 46.66 24.27 57.08 47.06 24.77 56.51 46.86 24.52 56.80 1 0 1000.00 -999 ? >LEU~B 11 46.73 25.51 52.38 44.79 25.53 51.43 45.76 25.52 51.91 3 0 1000.00 -999 ? >TRP~B 12 53.58 26.45 55.86 55.22 28.93 53.27 54.40 27.69 54.56 3 0 1000.00 -999 ? >ARG~B 13 50.62 23.05 60.08 50.44 25.83 61.35 50.53 24.44 60.72 2 0 1000.00 -999 ? >ALA~B 14 50.19 20.24 53.88 48.70 20.18 53.55 49.44 20.21 53.71 2 0 1000.00 -999 ? >GLY.B 15 52.57 21.50 51.21 51.77 21.65 51.20 52.17 21.57 51.20 1 0 1000.00 -999 ? >ARG~B 16 46.46 21.22 50.38 45.55 18.54 49.21 46.00 19.88 49.79 2 0 1000.00 -999 ? >TYR~B 17 53.97 25.28 48.90 55.42 24.04 50.94 54.70 24.66 49.92 3 0 1000.00 -999 ? >TYR~B 18 48.61 26.43 42.74 46.77 27.50 40.92 47.69 26.97 41.83 3 0 1000.00 -999 ? >GLU~B 19 45.81 24.27 46.79 47.44 23.37 45.74 46.63 23.82 46.27 2 0 1000.00 -999 ? >VAL~B 20 48.00 29.09 49.62 49.43 29.09 51.28 48.71 29.09 50.45 3 0 1000.00 -999 ? >HIS~B 21 50.30 32.13 44.74 50.99 33.54 43.35 50.65 32.84 44.05 3 0 1000.00 -999 ? >GLU~B 22 43.46 30.14 44.15 42.87 28.57 42.88 43.16 29.35 43.52 2 0 1000.00 -999 ? >VAL~B 23 43.57 31.76 48.59 42.91 30.47 50.24 43.24 31.12 49.41 3 0 1000.00 -999 ? >LEU~B 24 47.05 34.78 50.05 47.58 34.32 52.09 47.32 34.55 51.07 3 0 1000.00 -999 ? >GLU~B 25 45.28 37.40 43.78 45.65 36.71 41.81 45.47 37.06 42.80 2 0 1000.00 -999 ? >PRO~B 26 41.09 36.38 46.40 42.58 37.96 46.88 41.84 37.17 46.64 3 0 1000.00 -999 ? >TYR~B 27 42.59 37.85 52.06 40.53 36.17 52.94 41.56 37.01 52.50 3 0 1000.00 -999 ? >TRP~B 28 49.40 41.96 48.06 49.58 41.53 44.15 49.49 41.74 46.11 3 0 1000.00 -999 ? >LEU~B 29 43.78 42.42 45.17 44.36 41.61 43.25 44.07 42.01 44.21 3 0 1000.00 -999 ? >LYS~B 30 42.62 44.85 48.82 36.77 42.40 48.24 39.69 43.63 48.53 2 0 1000.00 -999 ? >ALA~B 31 45.40 45.50 51.33 46.26 44.38 51.92 45.83 44.94 51.63 2 0 1000.00 -999 ? >THR~B 32 47.69 48.53 51.62 46.11 50.00 51.69 46.90 49.26 51.66 2 0 1000.00 -999 ? >GLY~B 33 50.76 49.53 53.61 50.60 48.82 53.27 50.68 49.17 53.44 1 0 1000.00 -999 ? >GLU~B 34 53.69 48.24 57.44 54.51 48.22 59.38 54.10 48.23 58.41 2 0 1000.00 -999 ? >GLU~B 35 47.81 45.16 57.10 48.72 47.00 57.64 48.26 46.08 57.37 2 0 1000.00 -999 ? >ARG~B 36 49.63 46.59 48.33 47.68 45.83 46.08 48.65 46.21 47.21 2 0 1000.00 -999 ? >ARG~B 37 55.76 47.03 52.70 58.23 46.79 54.49 57.00 46.91 53.59 2 0 1000.00 -999 ? >LEU~B 38 52.32 40.96 55.63 52.24 39.33 57.07 52.28 40.14 56.35 3 0 1000.00 -999 ? >LEU~B 39 49.09 39.78 51.81 47.38 39.65 53.15 48.23 39.71 52.48 3 0 1000.00 -999 ? >GLN~B 40 53.54 40.73 46.86 53.78 42.54 45.76 53.66 41.64 46.31 2 0 1000.00 -999 ? >GLY~B 41 55.59 38.30 50.80 54.85 37.95 50.72 55.22 38.12 50.76 1 0 1000.00 -999 ? >VAL~B 42 53.77 35.15 51.94 52.52 34.62 53.66 53.15 34.89 52.80 3 0 1000.00 -999 ? >ILE~B 43 51.56 35.81 47.65 50.43 36.23 46.85 50.99 36.02 47.25 3 0 1000.00 -999 ? >LEU~B 44 56.76 36.22 46.98 56.69 37.92 45.66 56.73 37.07 46.32 3 0 1000.00 -999 ? >LEU~B 45 57.10 32.43 50.94 58.51 33.44 52.21 57.81 32.94 51.57 3 0 1000.00 -999 ? >ALA~B 46 54.37 30.00 48.41 52.88 30.27 48.59 53.63 30.14 48.50 2 0 1000.00 -999 ? >ALA~B 47 55.15 30.69 44.74 55.11 32.07 44.06 55.13 31.38 44.40 2 0 1000.00 -999 ? >ALA~B 48 58.85 29.98 45.29 59.74 30.67 46.32 59.29 30.32 45.80 2 0 1000.00 -999 ? >LEU~B 49 57.44 26.40 48.25 58.62 26.48 50.08 58.03 26.44 49.16 3 0 1000.00 -999 ? >HIS~B 50 53.49 25.96 42.65 52.44 24.92 41.15 52.97 25.44 41.90 3 0 1000.00 -999 ? >GLN~B 51 58.38 29.07 40.96 57.73 28.74 38.96 58.06 28.90 39.96 2 0 1000.00 -999 ? >ARG~B 52 63.16 22.94 43.99 65.35 24.38 45.57 64.25 23.66 44.78 2 0 1000.00 -999 ? >ARG~B 53 55.60 19.84 44.96 54.28 20.17 47.70 54.94 20.01 46.33 2 0 1000.00 -999 ? >LEU~B 54 56.90 23.46 38.67 54.78 23.79 38.34 55.84 23.62 38.50 3 0 1000.00 -999 ? >GLY.B 55 61.26 21.48 39.06 60.99 22.22 39.12 61.12 21.85 39.09 1 0 1000.00 -999 ? >ARG.B 56 60.24 26.65 36.43 60.38 29.47 35.25 60.31 28.06 35.84 2 0 1000.00 -999 ? >PRO.B 57 66.26 27.17 39.62 64.54 26.69 40.94 65.40 26.93 40.28 3 0 1000.00 -999 ? >GLY~B 58 62.24 29.38 42.88 63.06 29.52 42.84 62.65 29.45 42.86 1 0 1000.00 -999 ? >LEU~B 59 66.57 31.35 43.70 67.64 29.81 44.78 67.10 30.58 44.24 3 0 1000.00 -999 ? >ARG~B 60 62.46 36.15 38.78 60.82 38.72 39.23 61.64 37.43 39.01 2 0 1000.00 -999 ? >ASN~B 61 59.47 33.37 43.94 58.21 33.66 42.25 58.84 33.51 43.09 2 0 1000.00 -999 ? >LEU~B 62 63.35 32.93 47.68 64.07 32.46 49.67 63.71 32.70 48.67 3 0 1000.00 -999 ? >ARG~B 63 66.92 38.70 44.14 64.56 38.77 42.16 65.74 38.74 43.15 2 0 1000.00 -999 ? >LYS~B 64 61.28 39.15 45.90 57.85 40.90 41.57 59.56 40.03 43.73 2 0 1000.00 -999 ? >ALA~B 65 59.56 37.76 48.99 59.37 36.28 49.32 59.46 37.02 49.16 2 0 1000.00 -999 ? >GLU~B 66 63.91 36.74 51.23 65.84 35.92 51.05 64.87 36.33 51.14 2 0 1000.00 -999 ? >ALA~B 67 62.34 42.29 49.70 62.44 42.61 48.20 62.39 42.45 48.95 2 0 1000.00 -999 ? >ARG~B 68 57.02 43.65 48.21 58.22 43.94 45.40 57.62 43.79 46.81 2 0 1000.00 -999 ? >LEU~B 69 59.12 39.76 54.45 57.68 38.18 54.15 58.40 38.97 54.30 3 0 1000.00 -999 ? >GLU~B 70 64.43 44.12 55.08 65.63 45.42 53.95 65.03 44.77 54.52 2 0 1000.00 -999 ? >GLY.B 71 61.49 45.53 58.11 60.98 44.95 57.97 61.24 45.24 58.04 1 0 1000.00 -999 ? >LEU.B 72 57.17 43.34 58.04 55.93 43.72 56.31 56.55 43.53 57.17 3 0 1000.00 -999 ? >PRO.B 73 55.09 45.00 62.10 57.07 44.02 61.82 56.08 44.51 61.96 3 0 1000.00 -999 ? >CYH.B 74 56.47 40.15 63.53 57.08 37.47 62.94 56.77 38.81 63.23 2 0 1000.00 -999 ? >PRO.B 75 52.94 38.82 66.36 54.39 39.18 64.71 53.66 39.00 65.54 3 0 1000.00 -999 ? >LEU.B 76 52.47 41.55 60.66 51.93 43.39 59.65 52.20 42.47 60.15 3 0 1000.00 -999 ? >MET?B 77 47.97 40.42 61.16 47.59 40.97 56.85 47.78 40.69 59.00 2 0 1000.00 -999 ? >GLY.B 78 48.46 37.87 63.94 48.89 37.86 63.25 48.67 37.87 63.60 1 0 1000.00 -999 ? >LEU.B 79 50.56 35.77 60.28 51.16 34.22 58.89 50.86 35.00 59.58 3 0 1000.00 -999 ? >ASP~B 80 54.73 33.71 63.68 56.82 33.36 63.80 55.78 33.54 63.74 2 0 1000.00 -999 ? >TRP~B 81 55.42 38.49 59.56 59.14 39.27 58.53 57.28 38.88 59.04 3 0 1000.00 -999 ? >ARG~B 82 61.42 37.23 60.91 61.28 40.11 61.99 61.35 38.67 61.45 2 0 1000.00 -999 ? >SER~B 83 58.85 31.17 60.79 58.10 30.87 63.08 58.48 31.02 61.94 2 0 1000.00 -999 ? >LEU~B 84 56.20 31.59 56.76 54.17 30.96 57.13 55.18 31.27 56.94 3 0 1000.00 -999 ? >LEU~B 85 60.85 34.03 56.07 62.22 35.16 54.84 61.54 34.59 55.45 3 0 1000.00 -999 ? >GLN~B 86 63.41 31.76 59.79 62.87 31.84 61.86 63.14 31.80 60.83 2 0 1000.00 -999 ? >GLU~B 87 59.18 25.56 56.65 57.09 25.23 56.71 58.13 25.39 56.68 2 0 1000.00 -999 ? >ALA~B 88 60.94 28.47 52.97 60.30 29.77 52.47 60.62 29.12 52.72 2 0 1000.00 -999 ? >ARG~B 89 65.95 32.53 54.34 66.29 35.41 55.34 66.12 33.97 54.84 2 0 1000.00 -999 ? >ARG~B 90 65.09 23.54 57.64 63.59 25.60 59.34 64.34 24.57 58.49 2 0 1000.00 -999 ? >ARG~B 91 59.39 23.23 53.01 58.48 20.89 54.81 58.93 22.06 53.91 2 0 1000.00 -999 ? >LEU~B 92 64.22 27.14 48.67 62.40 27.73 47.67 63.31 27.43 48.17 3 0 1000.00 -999 ? >GLY.B 93 68.07 24.79 50.20 67.76 25.55 50.13 67.91 25.17 50.16 1 0 1000.00 -999 ? >ALA.B 94 68.98 28.43 50.66 67.99 29.54 50.29 68.49 28.98 50.48 2 0 1000.00 -999 ?