REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 02-MAR-07 2P1A COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; SOURCE 3 ORGANISM_TAXID: 222523; SOURCE 4 STRAIN: ATCC 10987; SOURCE 5 GENE: NP_978475.1, BCE_2162; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 20 8 HET MSE A 43 8 HET MSE A 81 8 HET MSE A 85 8 HET MSE A 107 8 HET MSE B 1 8 HET MSE B 20 8 HET MSE B 43 8 HET MSE B 81 8 HET MSE B 85 8 HET MSE B 107 8 HET MSE B 144 8 >GLY~A 0 55.61 45.48 67.51 54.92 44.95 67.27 55.27 45.22 67.39 1 0 1000.00 -999 ? >MET?A 1 55.61 42.28 65.46 55.54 38.04 66.29 55.57 40.16 65.88 2 0 1000.00 -999 ? >PHE~A 2 51.72 40.46 67.91 52.78 38.17 69.12 52.25 39.32 68.51 3 0 1000.00 -999 ? >VAL~A 3 50.94 45.66 65.20 50.75 47.48 66.43 50.85 46.57 65.81 3 0 1000.00 -999 ? >GLN~A 4 55.49 46.76 62.46 57.54 46.76 61.87 56.51 46.76 62.16 2 0 1000.00 -999 ? >SER~A 5 51.51 42.47 60.87 52.67 40.64 61.95 52.09 41.56 61.41 2 0 1000.00 -999 ? >ALA~A 6 48.04 44.04 61.26 47.38 44.38 62.55 47.71 44.21 61.90 2 0 1000.00 -999 ? >LEU~A 7 50.11 48.34 60.08 49.64 49.90 61.53 49.87 49.12 60.80 3 0 1000.00 -999 ? >HIS~A 8 52.16 43.75 55.27 52.52 42.89 53.39 52.34 43.32 54.33 3 0 1000.00 -999 ? >GLN~A 9 45.44 41.81 57.09 45.86 40.09 55.93 45.65 40.95 56.51 2 0 1000.00 -999 ? >LEU~A 10 45.40 47.77 57.17 43.79 49.21 57.45 44.60 48.49 57.31 3 0 1000.00 -999 ? >LYS~A 11 48.17 48.42 53.68 53.68 51.36 52.44 50.93 49.89 53.06 2 0 1000.00 -999 ? >VAL~A 12 47.80 45.57 51.12 48.63 43.54 50.90 48.22 44.55 51.01 3 0 1000.00 -999 ? >ALA~A 13 44.00 46.01 51.30 43.18 45.90 52.60 43.59 45.96 51.95 2 0 1000.00 -999 ? >VAL~A 14 44.30 49.79 50.78 44.64 51.56 52.05 44.47 50.68 51.41 3 0 1000.00 -999 ? >ASP~A 15 48.46 48.97 48.26 49.76 50.39 49.25 49.11 49.68 48.76 2 0 1000.00 -999 ? >THR~A 16 44.87 46.95 46.12 44.82 44.79 46.10 44.85 45.87 46.11 2 0 1000.00 -999 ? >SER~A 17 41.74 49.17 46.48 40.63 48.58 48.54 41.19 48.87 47.51 2 0 1000.00 -999 ? >ILE~A 18 44.97 52.78 45.73 45.69 53.85 46.35 45.33 53.32 46.04 3 0 1000.00 -999 ? >GLN~A 19 45.78 47.81 42.42 47.58 46.61 42.60 46.68 47.21 42.51 2 0 1000.00 -999 ? >MET?A 20 41.34 48.69 41.48 40.06 45.69 44.37 40.70 47.19 42.92 2 0 1000.00 -999 ? >LEU~A 21 40.05 53.37 42.42 38.56 53.82 43.94 39.30 53.60 43.18 3 0 1000.00 -999 ? >ASP~A 22 43.89 52.81 38.26 44.97 54.05 39.62 44.43 53.43 38.94 2 0 1000.00 -999 ? >GLN~A 23 41.67 48.27 37.20 43.59 48.81 36.39 42.63 48.54 36.79 2 0 1000.00 -999 ? >TYR~A 24 36.21 50.54 37.77 36.35 47.78 38.41 36.28 49.16 38.09 3 0 1000.00 -999 ? >THR~A 25 35.75 55.95 35.58 35.68 56.79 33.55 35.72 56.37 34.56 2 0 1000.00 -999 ? >GLU~A 26 35.01 59.82 38.90 35.39 61.88 39.07 35.20 60.85 38.98 2 0 1000.00 -999 ? >ILE~A 27 30.57 58.00 33.95 29.28 58.77 33.74 29.92 58.39 33.84 3 0 1000.00 -999 ? >ASP~A 28 32.52 53.10 34.74 33.30 53.82 32.87 32.91 53.46 33.81 2 0 1000.00 -999 ? >LEU~A 29 32.19 53.91 39.98 34.06 52.93 40.47 33.12 53.42 40.23 3 0 1000.00 -999 ? >LYS~A 30 28.05 55.72 39.28 29.53 61.79 40.21 28.79 58.75 39.75 2 0 1000.00 -999 ? >ILE~A 31 26.31 53.30 35.27 25.50 54.16 34.73 25.90 53.73 35.00 3 0 1000.00 -999 ? >ALA~A 32 27.03 50.01 37.90 28.39 49.41 37.57 27.71 49.71 37.73 2 0 1000.00 -999 ? >PRO.A 33 25.29 46.86 41.04 25.57 48.21 39.24 25.43 47.53 40.14 3 0 1000.00 -999 ? >ILE.A 34 22.31 47.91 34.79 22.55 49.02 33.82 22.43 48.47 34.30 3 0 1000.00 -999 ? >SER.A 36 20.37 47.84 41.81 22.35 47.71 43.26 21.36 47.77 42.53 2 0 1000.00 -999 ? >ARG.A 38 23.93 48.78 48.78 21.34 47.20 49.59 22.64 47.99 49.18 2 0 1000.00 -999 ? >SER~A 39 26.25 52.20 43.31 26.38 54.52 44.05 26.31 53.36 43.68 2 0 1000.00 -999 ? >LEU~A 40 30.64 50.57 41.88 30.25 48.51 41.24 30.45 49.54 41.56 3 0 1000.00 -999 ? >PHE~A 41 31.00 57.31 42.73 32.40 59.72 42.93 31.70 58.52 42.83 3 0 1000.00 -999 ? >MET?A 43 30.45 52.15 48.15 27.92 48.87 47.09 29.19 50.51 47.62 2 0 1000.00 -999 ? >TYR~A 44 35.30 51.80 45.08 36.57 49.58 43.87 35.94 50.69 44.48 3 0 1000.00 -999 ? >ALA~A 45 33.48 56.41 48.51 32.33 57.34 48.12 32.91 56.88 48.32 2 0 1000.00 -999 ? >HIS~A 46 30.75 53.70 53.46 30.31 53.13 55.44 30.53 53.42 54.45 3 0 1000.00 -999 ? >LEU~A 47 35.75 51.50 50.53 36.89 49.64 50.53 36.32 50.57 50.53 3 0 1000.00 -999 ? >SER~A 48 37.84 55.32 51.46 36.74 57.19 50.38 37.29 56.25 50.92 2 0 1000.00 -999 ? >LEU~A 49 35.26 57.56 54.90 34.85 59.62 54.36 35.06 58.59 54.63 3 0 1000.00 -999 ? >ILE~A 50 36.88 52.09 56.31 36.36 50.74 56.19 36.62 51.42 56.25 3 0 1000.00 -999 ? >CYH~A 51 40.38 54.19 58.23 42.15 52.74 56.74 41.26 53.47 57.48 2 0 1000.00 -999 ? >HIS~A 52 40.34 59.63 57.55 41.90 60.51 56.45 41.12 60.07 57.00 3 0 1000.00 -999 ? >ALA~A 53 36.13 57.01 60.54 34.96 56.53 59.73 35.55 56.77 60.14 2 0 1000.00 -999 ? >ASP~A 54 37.44 52.56 62.13 35.68 51.44 61.60 36.56 52.00 61.87 2 0 1000.00 -999 ? >LEU~A 55 41.27 56.53 63.27 43.20 56.98 64.08 42.24 56.75 63.68 3 0 1000.00 -999 ? >LEU~A 56 36.78 59.52 64.14 37.17 61.40 63.19 36.98 60.46 63.67 3 0 1000.00 -999 ? >ILE~A 57 34.75 54.82 65.99 33.62 54.04 65.54 34.18 54.43 65.77 3 0 1000.00 -999 ? >LEU~A 58 39.70 54.04 67.90 41.27 52.99 68.86 40.49 53.52 68.38 3 0 1000.00 -999 ? >ASN~A 59 40.26 59.11 68.76 42.22 58.38 68.36 41.24 58.74 68.56 2 0 1000.00 -999 ? >GLY.A 60 36.00 58.82 71.35 36.07 58.97 70.63 36.04 58.89 70.99 1 0 1000.00 -999 ? >SER.A 61 34.03 60.46 68.55 35.40 61.35 66.78 34.72 60.91 67.67 2 0 1000.00 -999 ? >THR~A 62 30.26 60.77 68.92 29.87 62.88 69.25 30.06 61.82 69.08 2 0 1000.00 -999 ? >GLU~A 63 25.30 58.08 66.26 23.53 57.30 67.07 24.42 57.69 66.67 2 0 1000.00 -999 ? >LYS~A 64 26.69 62.68 65.25 23.62 68.10 65.43 25.15 65.39 65.34 2 0 1000.00 -999 ? >GLU~A 65 32.12 64.19 65.92 33.59 65.16 64.79 32.85 64.68 65.36 2 0 1000.00 -999 ? >LEU~A 66 30.53 58.61 62.99 32.72 58.40 63.23 31.62 58.50 63.11 3 0 1000.00 -999 ? >HIS~A 67 24.54 61.25 60.64 22.90 61.34 59.33 23.72 61.29 59.98 3 0 1000.00 -999 ? >THR~A 68 28.20 64.19 59.71 28.16 66.11 60.71 28.18 65.15 60.21 2 0 1000.00 -999 ? >PHE~A 69 33.90 61.66 58.91 36.41 61.05 57.78 35.15 61.36 58.35 3 0 1000.00 -999 ? >TYR~A 70 30.50 57.67 57.03 32.19 55.51 57.72 31.34 56.59 57.38 3 0 1000.00 -999 ? >LYS~A 71 27.34 62.46 55.09 24.52 66.70 56.07 25.93 64.58 55.58 2 0 1000.00 -999 ? >GLU~A 72 27.98 67.09 55.73 27.91 68.68 57.17 27.95 67.88 56.45 2 0 1000.00 -999 ? >GLN~A 73 33.85 65.40 56.15 34.09 67.34 55.29 33.97 66.37 55.72 2 0 1000.00 -999 ? >THR.A 74 32.58 61.51 51.38 31.13 59.96 51.03 31.86 60.74 51.21 2 0 1000.00 -999 ? >PRO.A 75 36.40 60.50 49.47 34.61 61.73 49.00 35.50 61.12 49.23 3 0 1000.00 -999 ? >GLU.A 76 31.98 65.03 46.08 31.39 67.07 46.12 31.68 66.05 46.10 2 0 1000.00 -999 ? >THR~A 77 36.27 61.94 42.75 37.39 63.83 42.51 36.83 62.88 42.63 2 0 1000.00 -999 ? >ILE~A 78 38.59 57.98 41.11 38.53 56.75 40.33 38.56 57.37 40.72 3 0 1000.00 -999 ? >ALA~A 79 41.60 60.78 42.98 42.02 62.01 42.19 41.81 61.40 42.58 2 0 1000.00 -999 ? >GLN~A 80 40.12 64.70 46.88 41.49 64.93 48.56 40.81 64.82 47.72 2 0 1000.00 -999 ? >MET?A 81 39.10 58.60 47.22 35.89 56.70 45.23 37.49 57.65 46.22 2 0 1000.00 -999 ? >GLN~A 82 42.66 56.29 44.35 43.41 56.31 42.36 43.04 56.30 43.35 2 0 1000.00 -999 ? >LYS~A 83 44.25 60.26 48.56 45.75 65.86 46.13 45.00 63.06 47.34 2 0 1000.00 -999 ? >THR~A 84 41.82 59.78 51.47 39.79 60.46 51.76 40.81 60.12 51.62 2 0 1000.00 -999 ? >MET?A 85 42.71 56.06 51.83 40.95 52.92 49.58 41.83 54.49 50.71 2 0 1000.00 -999 ? >ILE~A 86 47.28 57.51 50.74 48.46 56.55 50.46 47.87 57.03 50.60 3 0 1000.00 -999 ? >GLN~A 87 45.56 61.94 53.40 44.19 63.51 52.96 44.88 62.72 53.18 2 0 1000.00 -999 ? >GLY~A 88 43.72 57.46 56.68 44.48 57.30 56.37 44.10 57.38 56.52 1 0 1000.00 -999 ? >TYR~A 89 47.83 52.90 55.60 49.88 51.14 56.35 48.86 52.02 55.98 3 0 1000.00 -999 ? >ASP~A 90 49.44 58.22 56.39 51.13 59.24 57.11 50.28 58.73 56.75 2 0 1000.00 -999 ? >LEU~A 91 46.10 59.35 60.28 45.51 60.95 61.63 45.81 60.15 60.95 3 0 1000.00 -999 ? >LEU~A 92 45.29 54.04 60.73 43.64 52.83 61.39 44.47 53.43 61.06 3 0 1000.00 -999 ? >SER~A 93 49.81 53.66 61.10 51.97 53.34 60.00 50.89 53.50 60.55 2 0 1000.00 -999 ? >THR~A 95 48.81 56.32 65.66 46.73 56.92 65.99 47.77 56.62 65.83 2 0 1000.00 -999 ? >PHE~A 96 47.18 51.25 65.97 44.65 50.97 67.12 45.92 51.11 66.54 3 0 1000.00 -999 ? >LEU~A 97 53.89 53.03 64.50 54.30 51.57 62.94 54.09 52.30 63.72 3 0 1000.00 -999 ? >SER.A 98 53.14 55.26 68.70 51.14 56.65 68.96 52.14 55.96 68.83 2 0 1000.00 -999 ? >TYR.A 99 48.85 53.10 70.54 46.54 54.62 69.92 47.69 53.86 70.23 3 0 1000.00 -999 ? >SER~A 100 53.07 51.00 73.97 52.18 51.99 76.03 52.63 51.50 75.00 2 0 1000.00 -999 ? >ASN~A 101 52.59 46.34 75.51 53.91 45.38 74.11 53.25 45.86 74.81 2 0 1000.00 -999 ? >GLU~A 102 51.09 49.49 80.01 49.72 48.64 81.38 50.40 49.06 80.69 2 0 1000.00 -999 ? >GLN~A 103 49.45 53.84 75.34 50.47 55.39 74.30 49.96 54.61 74.82 2 0 1000.00 -999 ? >LEU~A 104 48.58 47.79 72.15 49.82 48.03 70.35 49.20 47.91 71.25 3 0 1000.00 -999 ? >ALA~A 105 45.91 46.89 75.73 46.72 46.32 76.89 46.31 46.60 76.31 2 0 1000.00 -999 ? >GLU~A 106 43.41 52.54 77.03 43.60 52.75 79.11 43.50 52.65 78.07 2 0 1000.00 -999 ? >MET?A 107 40.03 49.48 76.64 39.41 46.20 76.66 39.72 47.84 76.65 2 0 1000.00 -999 ? >LYS.A 108 38.13 52.05 74.55 40.73 56.13 76.29 39.43 54.09 75.42 2 0 1000.00 -999 ? >THR.A 109 34.32 52.19 74.18 32.90 51.90 75.79 33.61 52.04 74.99 2 0 1000.00 -999 ? >ALA.A 110 32.74 53.08 70.80 32.47 52.12 69.66 32.60 52.60 70.23 2 0 1000.00 -999 ? >TYR.A 111 29.13 56.23 68.46 28.52 55.54 65.81 28.82 55.88 67.13 3 0 1000.00 -999 ? >TRP.A 112 28.36 49.59 68.87 31.05 51.25 66.54 29.70 50.42 67.70 3 0 1000.00 -999 ? >GLY.A 113 28.65 50.82 73.61 29.08 50.66 73.03 28.87 50.74 73.32 1 0 1000.00 -999 ? >ILE.A 114 31.04 47.10 71.19 30.78 46.79 69.78 30.91 46.95 70.48 3 0 1000.00 -999 ? >SER^A 115 34.33 48.17 74.30 35.51 48.69 76.36 34.92 48.43 75.33 2 0 1000.00 -999 ? >TYR^A 116 36.53 45.83 70.56 34.67 44.22 69.17 35.60 45.02 69.87 3 0 1000.00 -999 ? >SER^A 117 41.28 47.04 73.40 42.46 45.11 72.42 41.87 46.08 72.91 2 0 1000.00 -999 ? >ARG~A 118 44.42 52.88 71.68 44.62 54.65 74.18 44.52 53.77 72.93 2 0 1000.00 -999 ? >PHE~A 119 46.27 44.51 69.01 47.17 42.81 66.98 46.72 43.66 67.99 3 0 1000.00 -999 ? >GLU~A 120 39.52 43.20 69.03 38.42 41.95 70.29 38.97 42.57 69.66 2 0 1000.00 -999 ? >TRP~A 121 38.82 49.81 69.91 35.48 49.94 67.80 37.15 49.88 68.86 3 0 1000.00 -999 ? >LEU~A 122 44.52 47.81 64.96 46.10 48.30 63.50 45.31 48.05 64.23 3 0 1000.00 -999 ? >LEU~A 123 42.02 43.06 64.75 43.96 41.99 64.85 42.99 42.52 64.80 3 0 1000.00 -999 ? >GLU~A 124 35.87 46.44 64.45 35.54 48.30 63.38 35.71 47.37 63.91 2 0 1000.00 -999 ? >ILE~A 125 40.34 49.26 61.30 40.66 50.77 61.40 40.50 50.01 61.35 3 0 1000.00 -999 ? >VAL~A 126 40.94 45.34 59.10 42.85 44.19 59.16 41.90 44.76 59.13 3 0 1000.00 -999 ? >ALA~A 127 37.70 43.31 59.34 37.09 42.79 60.63 37.39 43.05 59.99 2 0 1000.00 -999 ? >HIS~A 128 34.58 48.69 58.98 33.12 50.17 58.76 33.85 49.43 58.87 3 0 1000.00 -999 ? >PHE~A 129 39.63 48.36 54.18 40.52 49.65 51.82 40.07 49.00 53.00 3 0 1000.00 -999 ? >TYR~A 130 40.03 42.42 54.16 42.67 42.46 53.17 41.35 42.44 53.67 3 0 1000.00 -999 ? >HIS~A 131 31.71 43.59 55.81 29.63 43.47 55.53 30.67 43.53 55.67 3 0 1000.00 -999 ? >HIS~A 132 32.10 48.24 54.06 30.52 48.75 55.34 31.31 48.50 54.70 3 0 1000.00 -999 ? >ARG~A 133 39.50 45.57 49.48 41.14 43.12 48.55 40.32 44.34 49.01 2 0 1000.00 -999 ? >GLY~A 134 34.04 41.96 49.85 33.72 42.72 49.74 33.88 42.34 49.79 1 0 1000.00 -999 ? >GLN~A 135 29.57 44.28 51.43 28.64 45.82 52.58 29.10 45.05 52.01 2 0 1000.00 -999 ? >ILE~A 136 33.44 46.74 46.54 34.03 48.07 46.41 33.74 47.41 46.48 3 0 1000.00 -999 ? >HIS~A 137 35.52 40.50 44.98 36.11 38.75 43.97 35.81 39.63 44.47 3 0 1000.00 -999 ? >ILE~A 138 30.01 39.87 45.40 29.63 39.14 45.32 29.82 39.51 45.36 3 0 1000.00 -999 ? >LEU~A 139 28.56 44.87 43.49 26.66 44.86 44.56 27.61 44.87 44.03 3 0 1000.00 -999 ? >LEU~A 140 33.65 44.35 40.76 34.75 46.15 41.41 34.20 45.25 41.09 3 0 1000.00 -999 ? >CYH.A 141 30.78 41.04 38.69 32.51 39.55 40.28 31.65 40.29 39.49 2 0 1000.00 -999 ? >GLU.A 142 28.99 44.04 35.61 29.65 45.90 36.45 29.32 44.97 36.03 2 0 1000.00 -999 ? >GLY~B 0 48.28 36.06 74.01 48.09 36.62 73.38 48.19 36.34 73.70 1 0 1000.00 -999 ? >MET?B 1 46.35 39.33 74.20 46.67 43.43 74.21 46.51 41.38 74.20 2 0 1000.00 -999 ? >PHE~B 2 49.20 41.16 70.57 50.62 43.21 71.89 49.91 42.18 71.23 3 0 1000.00 -999 ? >VAL~B 3 45.98 36.24 69.57 46.99 34.25 69.47 46.48 35.24 69.52 3 0 1000.00 -999 ? >SER~B 5 41.94 39.77 69.95 43.05 41.58 71.22 42.50 40.68 70.59 2 0 1000.00 -999 ? >ALA~B 6 42.35 38.14 66.47 43.66 37.64 65.90 43.00 37.89 66.19 2 0 1000.00 -999 ? >LEU~B 7 40.72 33.94 68.46 42.07 32.26 68.01 41.39 33.10 68.24 3 0 1000.00 -999 ? >HIS~B 8 36.39 38.76 70.60 34.56 39.61 71.17 35.48 39.18 70.89 3 0 1000.00 -999 ? >GLN~B 9 38.47 41.43 65.72 36.73 42.69 65.73 37.60 42.06 65.72 2 0 1000.00 -999 ? >LEU~B 10 38.05 34.73 63.86 38.30 33.26 62.26 38.17 34.00 63.06 3 0 1000.00 -999 ? >LYS~B 11 34.37 34.54 66.40 31.62 30.40 68.68 33.00 32.47 67.54 2 0 1000.00 -999 ? >VAL~B 12 32.31 37.75 65.97 32.35 39.87 66.54 32.33 38.81 66.25 3 0 1000.00 -999 ? >ALA~B 13 32.24 36.94 62.23 33.46 36.91 61.30 32.85 36.92 61.77 2 0 1000.00 -999 ? >VAL~B 14 31.29 33.27 62.97 32.37 31.43 63.60 31.83 32.35 63.28 3 0 1000.00 -999 ? >ASP~B 15 28.71 34.73 66.84 29.79 33.51 68.21 29.25 34.12 67.53 2 0 1000.00 -999 ? >THR~B 16 27.04 36.82 63.24 28.35 38.53 63.20 27.70 37.68 63.22 2 0 1000.00 -999 ? >SER~B 17 27.18 34.54 60.15 29.26 34.87 59.00 28.22 34.70 59.58 2 0 1000.00 -999 ? >ILE~B 18 25.86 31.13 63.43 26.28 29.92 64.13 26.07 30.52 63.78 3 0 1000.00 -999 ? >GLN~B 19 23.24 35.25 65.56 24.04 36.84 66.75 23.64 36.04 66.15 2 0 1000.00 -999 ? >MET?B 20 22.42 35.79 59.66 24.78 37.94 56.60 23.60 36.87 58.13 2 0 1000.00 -999 ? >LEU~B 21 23.08 31.09 58.56 23.69 29.49 57.25 23.39 30.29 57.90 3 0 1000.00 -999 ? >ASP~B 22 18.89 31.74 62.17 20.01 30.23 63.16 19.45 30.98 62.67 2 0 1000.00 -999 ? >GLN~B 23 18.10 36.57 59.99 16.96 36.17 61.76 17.53 36.37 60.88 2 0 1000.00 -999 ? >TYR.B 24 18.32 34.11 54.57 18.79 36.88 54.59 18.56 35.49 54.58 3 0 1000.00 -999 ? >THR~B 25 15.95 28.74 54.74 13.82 28.91 54.37 14.89 28.82 54.55 2 0 1000.00 -999 ? >GLU~B 26 18.28 23.82 51.62 18.49 21.76 52.10 18.39 22.79 51.86 2 0 1000.00 -999 ? >ILE~B 27 13.66 26.81 49.72 13.35 25.96 49.63 13.50 26.39 49.68 3 0 1000.00 -999 ? >ASP~B 28 15.78 31.74 51.32 13.85 32.02 52.15 14.82 31.88 51.73 2 0 1000.00 -999 ? >LEU~B 29 20.52 29.84 50.63 21.06 30.76 52.52 20.79 30.30 51.58 3 0 1000.00 -999 ? >LYS~B 30 19.41 27.86 46.72 19.66 21.81 48.68 19.53 24.83 47.70 2 0 1000.00 -999 ? >ILE~B 31 15.07 29.47 45.10 14.70 28.86 44.60 14.89 29.16 44.85 3 0 1000.00 -999 ? >ALA~B 32 18.03 33.33 45.09 18.91 33.87 46.21 18.47 33.60 45.65 2 0 1000.00 -999 ? >PRO.B 33 17.55 36.63 42.22 18.58 34.64 42.21 18.07 35.63 42.21 3 0 1000.00 -999 ? >ILE.B 34 23.22 34.98 42.67 23.50 35.43 43.96 23.36 35.20 43.31 3 0 1000.00 -999 ? >SER.B 36 27.30 34.68 39.78 28.16 36.39 41.28 27.73 35.53 40.53 2 0 1000.00 -999 ? >ARG.B 38 30.45 29.45 44.72 32.64 29.81 46.88 31.54 29.63 45.80 2 0 1000.00 -999 ? >SER~B 39 24.26 30.07 44.67 23.73 27.81 45.47 24.00 28.94 45.07 2 0 1000.00 -999 ? >LEU~B 40 22.95 32.75 48.61 22.97 34.95 48.67 22.96 33.85 48.64 3 0 1000.00 -999 ? >PHE~B 41 22.78 26.00 49.89 22.73 23.75 51.54 22.76 24.88 50.71 3 0 1000.00 -999 ? >GLU~B 42 26.54 25.84 45.83 26.60 25.67 43.72 26.57 25.76 44.77 2 0 1000.00 -999 ? >MET?B 43 28.83 30.43 49.04 28.05 33.78 46.64 28.44 32.10 47.84 2 0 1000.00 -999 ? >TYR~B 44 25.83 31.05 54.11 25.31 33.04 56.03 25.57 32.04 55.07 3 0 1000.00 -999 ? >ALA~B 45 28.75 26.30 52.54 28.29 25.22 51.55 28.52 25.76 52.04 2 0 1000.00 -999 ? >HIS~B 46 32.65 27.04 49.00 32.53 25.70 47.39 32.59 26.37 48.20 3 0 1000.00 -999 ? >LEU~B 47 31.03 31.27 54.45 31.08 33.21 55.46 31.06 32.24 54.96 3 0 1000.00 -999 ? >SER~B 48 31.56 27.47 56.76 30.41 25.48 55.94 30.98 26.47 56.35 2 0 1000.00 -999 ? >LEU~B 49 34.78 24.87 54.26 34.06 22.88 53.89 34.42 23.87 54.08 3 0 1000.00 -999 ? >ILE~B 50 36.73 30.17 55.91 36.79 31.53 55.36 36.76 30.85 55.64 3 0 1000.00 -999 ? >CYH~B 51 38.32 27.96 59.45 37.10 29.72 61.06 37.71 28.84 60.26 2 0 1000.00 -999 ? >HIS~B 52 37.31 22.53 59.46 36.13 21.63 60.95 36.72 22.08 60.21 3 0 1000.00 -999 ? >ALA~B 53 40.55 24.81 55.19 39.76 25.43 54.03 40.15 25.12 54.61 2 0 1000.00 -999 ? >ASP~B 54 42.37 29.12 56.38 41.48 30.14 54.69 41.92 29.63 55.53 2 0 1000.00 -999 ? >LEU~B 55 43.24 25.12 60.35 44.16 24.67 62.28 43.70 24.90 61.31 3 0 1000.00 -999 ? >LEU~B 56 43.89 21.87 56.08 43.28 20.37 57.58 43.58 21.12 56.83 3 0 1000.00 -999 ? >ILE~B 57 46.14 26.45 53.89 45.84 27.25 52.71 45.99 26.85 53.30 3 0 1000.00 -999 ? >LEU~B 58 48.06 27.14 58.81 48.97 28.39 60.32 48.51 27.76 59.57 3 0 1000.00 -999 ? >ASN~B 59 48.61 22.13 59.47 48.32 23.03 61.36 48.46 22.58 60.42 2 0 1000.00 -999 ? >GLY.B 60 51.13 22.03 55.18 50.40 21.94 55.26 50.76 21.99 55.22 1 0 1000.00 -999 ? >SER.B 61 48.17 20.55 53.31 46.43 19.94 54.84 47.30 20.25 54.08 2 0 1000.00 -999 ? >THR~B 62 48.65 20.07 49.57 49.11 17.96 49.21 48.88 19.02 49.39 2 0 1000.00 -999 ? >GLU~B 63 45.87 22.66 44.59 46.64 23.68 42.89 46.26 23.17 43.74 2 0 1000.00 -999 ? >LYS~B 64 45.14 18.07 46.04 47.17 12.02 45.80 46.16 15.05 45.92 2 0 1000.00 -999 ? >GLU~B 65 44.22 17.33 52.21 45.37 16.94 53.90 44.80 17.14 53.05 2 0 1000.00 -999 ? >LEU~B 66 42.82 22.37 49.65 43.29 22.81 51.79 43.06 22.59 50.72 3 0 1000.00 -999 ? >HIS~B 67 41.60 21.15 44.43 42.04 22.92 43.39 41.82 22.03 43.91 3 0 1000.00 -999 ? >THR~B 68 39.45 16.68 47.88 40.40 14.73 48.00 39.92 15.71 47.94 2 0 1000.00 -999 ? >PHE~B 69 38.76 19.91 53.26 37.54 21.06 55.53 38.15 20.49 54.40 3 0 1000.00 -999 ? >TYR~B 70 36.96 23.33 49.39 37.63 25.58 50.96 37.29 24.45 50.18 3 0 1000.00 -999 ? >GLU~B 72 35.85 14.64 51.36 37.31 13.10 51.47 36.58 13.87 51.42 2 0 1000.00 -999 ? >GLN~B 73 35.21 16.82 54.04 36.53 16.62 55.69 35.87 16.72 54.87 2 0 1000.00 -999 ? >THR~B 74 31.22 21.03 51.77 31.27 22.33 50.05 31.25 21.68 50.91 2 0 1000.00 -999 ? >PRO.B 75 29.08 22.47 55.35 28.65 21.24 53.57 28.86 21.85 54.46 3 0 1000.00 -999 ? >GLU.B 76 25.77 18.32 50.62 25.85 16.31 49.91 25.81 17.31 50.27 2 0 1000.00 -999 ? >THR~B 77 22.43 21.56 54.93 21.65 20.46 56.64 22.04 21.01 55.78 2 0 1000.00 -999 ? >ILE~B 78 21.04 25.73 57.12 20.45 27.09 56.98 20.75 26.41 57.05 3 0 1000.00 -999 ? >ALA~B 79 22.61 22.62 60.23 21.76 21.42 60.61 22.19 22.02 60.42 2 0 1000.00 -999 ? >GLN~B 80 26.17 19.86 56.78 25.92 17.96 55.77 26.05 18.91 56.27 2 0 1000.00 -999 ? >MET?B 81 27.11 24.49 57.91 25.14 26.69 54.89 26.12 25.59 56.40 2 0 1000.00 -999 ? >GLN~B 82 24.48 27.21 61.40 22.65 27.75 62.31 23.57 27.48 61.85 2 0 1000.00 -999 ? >LYS~B 83 28.12 22.70 63.05 25.04 17.39 63.12 26.58 20.04 63.08 2 0 1000.00 -999 ? >THR~B 84 31.15 22.78 60.70 31.52 22.05 58.68 31.34 22.42 59.69 2 0 1000.00 -999 ? >MET?B 85 31.83 26.52 61.14 30.01 30.20 59.99 30.92 28.36 60.56 2 0 1000.00 -999 ? >ILE~B 86 30.57 25.82 65.92 30.45 26.97 66.94 30.51 26.40 66.43 3 0 1000.00 -999 ? >GLN~B 87 32.60 20.97 65.07 31.67 19.42 63.95 32.14 20.20 64.51 2 0 1000.00 -999 ? >GLY~B 88 36.46 24.84 62.59 36.16 25.11 63.33 36.31 24.98 62.96 1 0 1000.00 -999 ? >TYR~B 89 35.95 29.81 66.32 37.01 31.52 68.27 36.48 30.66 67.30 3 0 1000.00 -999 ? >ASP~B 90 36.34 24.49 68.45 34.56 25.14 69.36 35.45 24.81 68.91 2 0 1000.00 -999 ? >LEU~B 91 39.93 22.83 64.93 41.17 21.06 64.50 40.55 21.95 64.71 3 0 1000.00 -999 ? >LEU~B 92 40.93 28.04 63.90 41.95 29.34 62.52 41.44 28.69 63.21 3 0 1000.00 -999 ? >SER~B 93 41.38 28.83 68.27 39.21 28.30 69.20 40.30 28.56 68.73 2 0 1000.00 -999 ? >LYS~B 94 42.62 25.83 70.31 38.69 23.40 73.44 40.65 24.62 71.88 2 0 1000.00 -999 ? >THR~B 95 45.54 25.62 67.91 45.85 24.84 65.91 45.69 25.23 66.91 2 0 1000.00 -999 ? >PHE~B 96 46.32 30.65 65.83 47.48 30.86 63.28 46.90 30.75 64.55 3 0 1000.00 -999 ? >LEU~B 97 44.76 29.24 72.58 43.25 30.69 73.09 44.01 29.96 72.83 3 0 1000.00 -999 ? >SER~B 98 48.57 26.55 72.01 48.70 25.10 69.98 48.64 25.82 71.00 2 0 1000.00 -999 ? >TYR~B 99 50.74 28.39 67.69 50.02 26.85 65.43 50.38 27.62 66.56 3 0 1000.00 -999 ? >SER~B 100 54.19 30.34 71.99 56.25 29.39 71.04 55.22 29.87 71.51 2 0 1000.00 -999 ? >ASN~B 101 56.05 34.92 71.45 54.58 36.31 72.18 55.32 35.62 71.81 2 0 1000.00 -999 ? >GLU~B 102 60.20 31.65 70.51 59.28 32.55 72.24 59.74 32.10 71.38 2 0 1000.00 -999 ? >GLN~B 103 55.52 27.46 68.48 54.49 25.98 69.55 55.00 26.72 69.01 2 0 1000.00 -999 ? >LEU~B 104 52.90 33.78 67.30 51.01 33.59 68.31 51.96 33.68 67.80 3 0 1000.00 -999 ? >ALA~B 105 56.58 34.12 64.57 57.79 34.70 65.32 57.19 34.41 64.94 2 0 1000.00 -999 ? >GLU~B 106 57.64 28.26 62.42 59.71 27.95 62.74 58.68 28.11 62.58 2 0 1000.00 -999 ? >MET?B 107 57.19 30.99 58.96 57.74 34.23 58.36 57.47 32.61 58.66 2 0 1000.00 -999 ? >LYS.B 108 54.97 28.54 57.07 55.92 24.78 60.06 55.45 26.66 58.57 2 0 1000.00 -999 ? >THR.B 109 54.62 28.25 53.29 56.28 28.15 51.90 55.45 28.20 52.60 2 0 1000.00 -999 ? >ALA.B 110 51.13 27.77 51.80 50.14 28.88 51.46 50.64 28.32 51.63 2 0 1000.00 -999 ? >TYR.B 111 48.50 24.64 48.30 45.98 25.57 47.41 47.24 25.11 47.86 3 0 1000.00 -999 ? >TRP.B 112 49.85 31.09 47.35 47.15 29.80 49.92 48.50 30.45 48.64 3 0 1000.00 -999 ? >GLY.B 113 54.49 29.10 47.64 53.92 29.47 47.91 54.20 29.28 47.78 1 0 1000.00 -999 ? >ILE.B 114 52.50 33.31 49.18 53.10 34.43 48.49 52.80 33.87 48.83 3 0 1000.00 -999 ? >SER^B 115 54.98 32.43 53.08 56.80 30.89 52.72 55.89 31.66 52.90 2 0 1000.00 -999 ? >TYR^B 116 51.30 34.04 54.93 50.00 34.01 52.41 50.65 34.02 53.67 3 0 1000.00 -999 ? >SER^B 117 54.25 33.99 59.96 53.58 36.06 61.13 53.91 35.02 60.54 2 0 1000.00 -999 ? >ARG~B 118 51.90 28.58 63.20 53.97 26.45 64.04 52.94 27.51 63.62 2 0 1000.00 -999 ? >PHE~B 119 49.95 37.33 64.75 48.11 39.25 65.71 49.03 38.29 65.23 3 0 1000.00 -999 ? >GLU~B 120 52.30 38.23 59.27 54.19 38.19 58.34 53.25 38.21 58.80 2 0 1000.00 -999 ? >TRP~B 121 47.05 30.64 58.17 46.53 31.43 54.34 46.79 31.03 56.25 3 0 1000.00 -999 ? >LEU~B 122 45.94 34.29 62.88 44.48 33.96 64.50 45.21 34.12 63.69 3 0 1000.00 -999 ? >LEU~B 123 46.08 38.97 60.26 46.52 40.01 62.14 46.30 39.49 61.20 3 0 1000.00 -999 ? >GLU~B 124 46.84 36.50 55.27 46.42 37.67 53.56 46.63 37.08 54.42 2 0 1000.00 -999 ? >ILE~B 125 41.95 32.98 59.16 42.15 31.89 58.53 42.05 32.44 58.84 3 0 1000.00 -999 ? >VAL~B 126 40.18 37.00 59.53 40.44 38.16 61.40 40.31 37.58 60.46 3 0 1000.00 -999 ? >ALA~B 127 40.42 39.00 56.26 41.72 39.48 55.61 41.07 39.24 55.93 2 0 1000.00 -999 ? >HIS~B 128 39.65 33.45 53.37 39.36 31.84 52.04 39.50 32.65 52.71 3 0 1000.00 -999 ? >PHE~B 129 35.06 34.20 58.36 32.73 32.92 59.26 33.89 33.56 58.81 3 0 1000.00 -999 ? >TYR~B 130 35.45 40.13 58.75 34.80 40.14 61.52 35.13 40.14 60.13 3 0 1000.00 -999 ? >HIS~B 131 36.97 39.29 50.46 36.99 39.89 48.45 36.98 39.59 49.46 3 0 1000.00 -999 ? >HIS~B 132 35.09 34.45 50.97 36.60 34.12 49.56 35.84 34.28 50.26 3 0 1000.00 -999 ? >ARG~B 133 30.60 37.93 58.47 30.08 40.67 59.93 30.34 39.30 59.20 2 0 1000.00 -999 ? >GLY~B 134 30.76 40.61 52.91 30.68 39.88 52.54 30.72 40.24 52.73 1 0 1000.00 -999 ? >GLN~B 135 32.42 38.42 48.29 33.66 36.91 47.43 33.04 37.66 47.86 2 0 1000.00 -999 ? >ILE~B 136 27.45 35.87 51.98 27.32 34.51 52.48 27.39 35.19 52.23 3 0 1000.00 -999 ? >HIS~B 137 25.93 41.89 54.54 24.90 43.58 55.24 25.42 42.74 54.89 3 0 1000.00 -999 ? >ILE~B 138 26.59 43.04 49.15 26.52 43.78 48.82 26.55 43.41 48.99 3 0 1000.00 -999 ? >LEU~B 140 21.73 38.53 52.01 21.96 36.48 52.75 21.85 37.51 52.38 3 0 1000.00 -999 ? >CYH~B 141 20.48 42.68 50.68 22.08 43.71 52.69 21.28 43.19 51.68 2 0 1000.00 -999 ? >GLU~B 142 22.44 43.88 45.98 21.75 45.50 44.77 22.10 44.69 45.37 2 0 1000.00 -999 ? >HIS~B 143 20.00 39.05 44.35 21.54 39.84 43.18 20.77 39.45 43.77 3 0 1000.00 -999 ? >MET?B 144 16.58 38.61 49.42 15.72 35.35 49.11 16.15 36.98 49.27 2 0 1000.00 -999 ? >ASP~B 146 17.87 44.08 54.51 19.61 45.18 55.09 18.74 44.63 54.80 2 0 1000.00 -999 ? >PRO~B 147 21.44 40.31 56.30 19.38 40.99 56.87 20.41 40.65 56.59 3 0 1000.00 -999 ? >ASN~B 148 19.76 42.59 61.88 18.25 43.88 61.09 19.00 43.24 61.49 2 0 1000.00 -999 ? >ILE~B 149 25.71 42.78 61.42 27.01 42.58 60.71 26.36 42.68 61.06 3 0 1000.00 -999 ?