REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-MAR-07 2P62 COMPND HYPOTHETICAL PROTEIN PH0156; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 GENE: PH0156; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL-X; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR Z-Q.FU,L.CHEN,J.ZHU,J.T.SWINDELL,A.EBIHARA,A.SHINKAI,S.KURAMITSU, AUTHOR 2 S.YOKOYAMA,J.CHRZAS,J.P.ROSE,B-C.WANG,SOUTHEAST COLLABORATORY FOR AUTHOR 3 STRUCTURAL GENOMICS (SECSG),RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 4 INITIATIVE (RSGI) SSBOND 1 CYS A 203 CYS B 203 1555 1555 2.05 >MET.A 1 41.65 28.17 66.76 40.10 30.13 64.24 40.88 29.15 65.50 2 0 1000.00 -999 ? >ARG^A 2 47.21 29.15 65.63 49.64 30.92 66.26 48.42 30.03 65.95 2 0 1000.00 -999 ? >ILE^A 3 42.85 31.58 72.22 41.54 31.46 72.77 42.19 31.52 72.49 3 0 1000.00 -999 ? >LYS^A 4 45.83 35.02 72.41 50.27 35.49 67.97 48.05 35.26 70.19 2 0 1000.00 -999 ? >LEU^A 5 44.52 36.60 76.71 43.08 37.19 78.20 43.80 36.90 77.45 3 0 1000.00 -999 ? >ILE^A 6 45.10 41.74 73.93 45.78 42.39 72.75 45.44 42.07 73.34 3 0 1000.00 -999 ? >ILE^A 7 45.13 42.23 79.85 44.86 41.45 81.02 44.99 41.84 80.44 3 0 1000.00 -999 ? >VAL.A 8 44.51 46.67 78.47 43.75 46.96 76.46 44.13 46.81 77.47 3 0 1000.00 -999 ? >GLU.A 9 43.71 50.92 82.89 44.88 52.51 83.65 44.29 51.72 83.27 2 0 1000.00 -999 ? >GLY~A 10 40.42 50.98 79.36 40.86 50.71 78.78 40.64 50.84 79.07 1 0 1000.00 -999 ? >LYS~A 11 38.27 51.64 76.29 34.72 50.68 72.72 36.50 51.16 74.51 2 0 1000.00 -999 ? >THR~A 12 40.82 54.10 74.88 41.29 55.63 76.37 41.06 54.87 75.62 2 0 1000.00 -999 ? >ASP~A 13 44.15 50.73 76.11 44.56 52.14 77.66 44.35 51.44 76.89 2 0 1000.00 -999 ? >GLU~A 14 38.95 47.43 73.10 36.91 47.23 73.67 37.93 47.33 73.38 2 0 1000.00 -999 ? >SER~A 15 40.14 51.16 70.48 38.17 52.46 71.04 39.15 51.81 70.76 2 0 1000.00 -999 ? >PHE~A 16 46.15 52.72 70.15 48.72 53.09 69.07 47.44 52.90 69.61 3 0 1000.00 -999 ? >PHE~A 17 46.23 47.40 71.15 48.78 47.69 72.29 47.50 47.55 71.72 3 0 1000.00 -999 ? >LYS~A 18 41.39 47.37 67.65 36.13 47.88 68.18 38.76 47.63 67.91 2 0 1000.00 -999 ? >VAL~A 19 41.75 49.89 64.82 42.23 52.02 64.55 41.99 50.96 64.68 3 0 1000.00 -999 ? >LEU~A 20 46.53 48.91 65.04 47.76 50.63 65.42 47.15 49.77 65.23 3 0 1000.00 -999 ? >LEU~A 21 44.11 44.32 65.62 45.48 43.54 67.10 44.80 43.93 66.36 3 0 1000.00 -999 ? >GLU~A 22 39.41 45.24 63.62 37.48 45.99 64.18 38.44 45.62 63.90 2 0 1000.00 -999 ? >LYS~A 23 42.35 48.21 59.61 37.62 49.01 60.61 39.99 48.61 60.11 2 0 1000.00 -999 ? >LEU~A 24 47.00 48.08 60.41 48.82 49.11 59.91 47.91 48.59 60.16 3 0 1000.00 -999 ? >TYR.A 25 48.20 43.75 61.59 50.56 45.12 62.18 49.38 44.43 61.89 3 0 1000.00 -999 ? >GLY.A 26 43.02 42.40 58.44 43.14 42.42 59.20 43.08 42.41 58.82 1 0 1000.00 -999 ? >PHE.A 27 43.15 40.22 63.42 44.98 38.19 64.04 44.07 39.20 63.73 3 0 1000.00 -999 ? >ARG^A 28 35.60 42.27 60.25 35.75 44.90 61.80 35.67 43.59 61.03 2 0 1000.00 -999 ? >GLU^A 29 33.81 42.09 66.64 33.14 43.92 67.46 33.48 43.00 67.05 2 0 1000.00 -999 ? >ALA.A 30 33.80 37.75 65.86 33.84 37.17 67.27 33.82 37.46 66.57 2 0 1000.00 -999 ? >LYS.A 31 30.41 37.01 64.29 31.05 31.91 60.53 30.73 34.46 62.41 2 0 1000.00 -999 ? >LYS.A 32 27.05 37.54 66.00 25.36 40.61 62.60 26.20 39.07 64.30 2 0 1000.00 -999 ? >LEU.A 33 29.35 33.50 67.25 29.83 31.52 67.98 29.59 32.51 67.61 3 0 1000.00 -999 ? >THR.A 34 28.66 35.59 71.47 27.77 37.45 72.15 28.21 36.52 71.81 2 0 1000.00 -999 ? >PRO.A 35 32.19 33.12 71.95 30.11 33.11 72.75 31.15 33.12 72.35 3 0 1000.00 -999 ? >GLU.A 36 27.08 33.21 77.13 26.83 35.31 77.24 26.95 34.26 77.19 2 0 1000.00 -999 ? >PHE.A 37 34.68 34.60 76.94 35.56 35.30 74.38 35.12 34.95 75.66 3 0 1000.00 -999 ? >PRO~A 38 34.09 29.09 79.80 33.03 30.89 80.57 33.56 29.99 80.19 3 0 1000.00 -999 ? >ILE~A 39 33.40 33.20 85.32 33.00 33.37 86.70 33.20 33.29 86.01 3 0 1000.00 -999 ? >GLY~A 40 35.44 29.24 85.67 35.70 29.64 85.00 35.57 29.44 85.33 1 0 1000.00 -999 ? >LYS~A 41 38.02 29.11 82.89 36.80 25.50 78.31 37.41 27.30 80.60 2 0 1000.00 -999 ? >TRP~A 42 37.26 31.96 79.12 40.27 33.12 76.88 38.77 32.54 78.00 3 0 1000.00 -999 ? >GLY~A 43 38.25 34.35 85.46 37.95 34.65 84.77 38.10 34.50 85.11 1 0 1000.00 -999 ? >PHE.A 44 37.03 37.24 81.46 39.06 36.94 79.54 38.04 37.09 80.50 3 0 1000.00 -999 ? >ARG.A 45 33.76 43.16 85.25 34.79 43.42 88.14 34.27 43.29 86.69 2 0 1000.00 -999 ? >ILE.A 46 29.04 39.12 86.69 29.28 39.80 87.09 29.16 39.46 86.89 3 0 1000.00 -999 ? >GLY.A 47 28.65 40.36 82.71 29.38 40.56 82.92 29.02 40.46 82.81 1 0 1000.00 -999 ? >GLU.A 48 34.27 41.35 80.36 36.04 41.78 81.40 35.16 41.57 80.88 2 0 1000.00 -999 ? >HIS.A 49 29.23 40.92 76.61 27.45 40.20 77.47 28.34 40.56 77.04 3 0 1000.00 -999 ? >PRO.A 50 35.39 38.60 76.15 34.73 40.72 75.93 35.06 39.66 76.04 3 0 1000.00 -999 ? >LEU^A 51 36.90 43.36 71.81 36.93 44.41 69.94 36.92 43.88 70.88 3 0 1000.00 -999 ? >VAL^A 52 37.06 39.08 69.87 36.39 37.06 70.32 36.73 38.07 70.09 3 0 1000.00 -999 ? >LEU^A 53 40.10 40.87 66.70 39.59 42.96 66.97 39.84 41.92 66.84 3 0 1000.00 -999 ? >GLU^A 54 38.29 35.44 65.65 36.76 33.98 65.60 37.53 34.71 65.63 2 0 1000.00 -999 ? >LYS^A 55 41.90 36.22 61.16 44.53 38.59 57.14 43.21 37.40 59.15 2 0 1000.00 -999 ? >ASP.A 56 44.53 33.09 59.37 44.98 34.29 57.67 44.75 33.69 58.52 2 0 1000.00 -999 ? >ASN.A 57 44.43 29.33 62.41 46.53 29.62 62.72 45.48 29.47 62.57 2 0 1000.00 -999 ? >ILE^A 58 45.47 34.29 65.06 46.78 34.81 65.44 46.13 34.55 65.25 3 0 1000.00 -999 ? >ALA^A 59 41.76 34.65 67.72 40.76 33.69 68.35 41.26 34.17 68.03 2 0 1000.00 -999 ? >LEU^A 60 43.22 38.98 69.11 45.19 39.06 68.23 44.21 39.02 68.67 3 0 1000.00 -999 ? >VAL^A 61 40.58 38.17 72.93 39.56 36.57 74.00 40.07 37.37 73.46 3 0 1000.00 -999 ? >ILE^A 62 40.92 42.90 73.18 41.60 43.83 72.34 41.26 43.36 72.76 3 0 1000.00 -999 ? >ILE^A 63 39.59 41.64 78.74 40.02 40.36 79.29 39.81 41.00 79.01 3 0 1000.00 -999 ? >HIS.A 64 38.19 47.63 78.32 36.22 48.04 77.75 37.20 47.84 78.04 3 0 1000.00 -999 ? >ALA.A 65 38.34 47.64 82.77 37.00 48.28 82.39 37.67 47.96 82.58 2 0 1000.00 -999 ? >GLU.A 66 39.67 41.86 84.26 37.99 41.26 83.12 38.83 41.56 83.69 2 0 1000.00 -999 ? >GLY.A 67 40.46 45.90 87.60 41.04 45.59 87.09 40.75 45.74 87.35 1 0 1000.00 -999 ? >LYS.A 68 43.95 46.51 89.00 48.32 49.48 87.18 46.13 48.00 88.09 2 0 1000.00 -999 ? >GLN.A 69 42.40 43.11 93.85 41.33 43.71 95.58 41.87 43.41 94.71 2 0 1000.00 -999 ? >ARG~A 70 38.03 40.61 87.39 35.71 39.28 88.90 36.87 39.95 88.15 2 0 1000.00 -999 ? >ILE~A 71 45.47 42.09 86.29 45.31 42.44 84.89 45.39 42.26 85.59 3 0 1000.00 -999 ? >PRO~A 72 45.72 39.83 90.50 45.83 39.03 88.42 45.77 39.43 89.46 3 0 1000.00 -999 ? >LYS~A 73 42.81 36.68 89.17 37.51 35.51 90.33 40.16 36.10 89.75 2 0 1000.00 -999 ? >VAL~A 74 42.40 36.50 85.39 41.63 37.84 83.89 42.02 37.17 84.64 3 0 1000.00 -999 ? >LEU~A 75 47.23 35.99 85.26 48.61 37.05 83.99 47.92 36.52 84.63 3 0 1000.00 -999 ? >LYS~A 76 45.61 32.51 87.44 45.14 29.37 91.64 45.38 30.94 89.54 2 0 1000.00 -999 ? >SER~A 77 42.40 31.20 85.89 40.67 32.62 86.84 41.54 31.91 86.36 2 0 1000.00 -999 ? >VAL~A 78 43.67 31.22 82.30 43.73 32.70 80.67 43.70 31.96 81.49 3 0 1000.00 -999 ? >LEU~A 79 48.01 30.34 84.31 49.34 31.90 83.66 48.67 31.12 83.98 3 0 1000.00 -999 ? >ASP~A 80 44.49 27.17 86.68 45.67 27.68 88.41 45.08 27.42 87.55 2 0 1000.00 -999 ? >SER~A 81 42.90 26.27 82.57 41.00 27.77 82.89 41.95 27.02 82.73 2 0 1000.00 -999 ? >VAL~A 82 45.87 25.93 80.22 47.09 27.32 79.02 46.48 26.62 79.62 3 0 1000.00 -999 ? >LYS~A 83 47.67 23.56 82.59 49.00 23.68 88.36 48.34 23.62 85.48 2 0 1000.00 -999 ? >LEU~A 84 43.24 21.86 83.55 42.90 21.62 85.67 43.07 21.74 84.61 3 0 1000.00 -999 ? >GLY~A 85 44.08 21.65 78.99 43.53 21.96 79.50 43.81 21.81 79.25 1 0 1000.00 -999 ? >LEU.A 86 40.01 23.71 80.39 39.58 22.17 81.86 39.79 22.94 81.12 3 0 1000.00 -999 ? >LEU.A 87 41.97 27.84 77.99 40.49 29.42 78.11 41.23 28.63 78.05 3 0 1000.00 -999 ? >ASN.A 88 43.38 26.51 72.63 44.99 25.97 71.35 44.19 26.24 71.99 2 0 1000.00 -999 ? >VAL^A 89 45.71 30.10 75.08 45.06 31.74 76.38 45.38 30.92 75.73 3 0 1000.00 -999 ? >GLU^A 90 49.45 30.97 71.49 49.76 30.14 69.56 49.60 30.55 70.52 2 0 1000.00 -999 ? >GLU^A 91 51.54 33.87 72.42 52.47 34.83 70.77 52.01 34.35 71.59 2 0 1000.00 -999 ? >VAL^A 92 49.01 36.78 76.96 48.02 36.29 78.85 48.51 36.54 77.90 3 0 1000.00 -999 ? >TYR^A 93 50.22 40.38 73.97 51.55 38.85 72.03 50.88 39.62 73.00 3 0 1000.00 -999 ? >VAL^A 94 49.55 42.88 79.39 49.48 42.10 81.43 49.52 42.49 80.41 3 0 1000.00 -999 ? >VAL^A 95 49.65 46.55 78.35 49.49 47.18 76.29 49.57 46.87 77.32 3 0 1000.00 -999 ? >ARG^A 96 50.14 49.38 84.69 52.23 48.72 86.84 51.19 49.05 85.76 2 0 1000.00 -999 ? >ASP^A 97 50.49 54.28 81.10 48.79 54.80 79.97 49.64 54.54 80.54 2 0 1000.00 -999 ? >VAL.A 98 54.78 53.35 81.79 56.68 53.59 80.72 55.73 53.47 81.26 3 0 1000.00 -999 ? >ASP.A 99 52.57 57.15 83.85 53.30 58.63 82.61 52.93 57.89 83.23 2 0 1000.00 -999 ? >GLU.A 100 49.34 54.01 85.04 47.47 53.10 84.69 48.41 53.56 84.86 2 0 1000.00 -999 ? >GLY.A 101 53.11 51.90 89.19 53.45 52.29 88.61 53.28 52.09 88.90 1 0 1000.00 -999 ? >ASN.A 102 57.12 49.41 89.78 57.39 50.37 91.68 57.26 49.89 90.73 2 0 1000.00 -999 ? >ASP~A 103 59.48 48.01 85.70 60.03 47.33 83.79 59.76 47.67 84.74 2 0 1000.00 -999 ? >VAL~A 104 55.38 46.56 83.93 54.80 46.30 81.85 55.09 46.43 82.89 3 0 1000.00 -999 ? >PHE~A 105 59.65 42.03 83.31 60.55 39.37 83.20 60.10 40.70 83.25 3 0 1000.00 -999 ? >GLU~A 106 60.14 44.44 88.41 61.05 46.13 89.35 60.60 45.28 88.88 2 0 1000.00 -999 ? >TRP~A 107 51.40 45.57 88.69 49.09 45.70 85.51 50.24 45.63 87.10 3 0 1000.00 -999 ? >VAL~A 108 53.21 41.12 85.89 52.84 40.78 83.77 53.03 40.95 84.83 3 0 1000.00 -999 ? >LEU~A 109 57.38 39.29 87.54 58.97 37.83 87.61 58.17 38.56 87.57 3 0 1000.00 -999 ? >SER~A 110 54.42 39.71 90.93 53.05 41.73 91.02 53.74 40.72 90.97 2 0 1000.00 -999 ? >PHE.A 111 49.99 39.95 88.66 49.37 42.66 88.84 49.68 41.30 88.75 3 0 1000.00 -999 ? >LEU.A 112 53.78 34.56 87.73 53.01 34.77 85.74 53.39 34.67 86.73 3 0 1000.00 -999 ? >ARG.A 113 54.35 33.26 95.79 52.98 31.89 98.17 53.66 32.57 96.98 2 0 1000.00 -999 ? >GLU.A 114 52.81 29.31 95.08 54.12 28.05 96.19 53.47 28.68 95.64 2 0 1000.00 -999 ? >ARG.A 115 51.86 29.60 87.64 48.94 28.69 87.33 50.40 29.14 87.48 2 0 1000.00 -999 ? >GLU.A 116 57.60 25.24 87.67 59.12 24.85 89.10 58.36 25.05 88.38 2 0 1000.00 -999 ? >VAL.A 117 59.03 30.66 85.14 59.42 32.75 85.68 59.23 31.70 85.41 3 0 1000.00 -999 ? >ARG^A 118 62.63 29.29 79.24 60.34 27.97 77.69 61.49 28.63 78.46 2 0 1000.00 -999 ? >VAL^A 119 62.24 34.30 80.32 62.54 36.26 81.15 62.39 35.28 80.74 3 0 1000.00 -999 ? >ASP^A 120 61.83 32.80 76.07 62.43 32.27 74.14 62.13 32.54 75.10 2 0 1000.00 -999 ? >ASN.A 121 61.85 36.63 72.95 63.05 35.39 71.69 62.45 36.01 72.32 2 0 1000.00 -999 ? >GLY.A 122 61.53 39.46 76.91 61.20 38.74 76.75 61.36 39.10 76.83 1 0 1000.00 -999 ? >ALA^A 123 58.50 37.25 77.61 57.81 36.52 76.49 58.16 36.88 77.05 2 0 1000.00 -999 ? >ILE^A 124 56.91 36.05 82.04 56.92 36.63 83.38 56.91 36.34 82.71 3 0 1000.00 -999 ? >VAL^A 125 56.96 31.72 80.01 57.70 30.76 78.16 57.33 31.24 79.08 3 0 1000.00 -999 ? >THR^A 126 55.00 29.61 82.45 53.88 30.47 84.11 54.44 30.04 83.28 2 0 1000.00 -999 ? >GLU.A 127 50.64 26.46 83.60 51.96 25.81 85.13 51.30 26.14 84.37 2 0 1000.00 -999 ? >GLY.A 128 53.75 26.88 78.29 53.42 27.50 78.70 53.59 27.19 78.50 1 0 1000.00 -999 ? >VAL^A 129 52.19 30.34 77.94 50.11 30.87 78.47 51.15 30.60 78.20 3 0 1000.00 -999 ? >LYS^A 130 54.18 33.35 76.71 56.48 30.49 73.03 55.33 31.92 74.87 2 0 1000.00 -999 ? >ILE^A 131 53.14 36.27 80.36 52.34 36.07 81.53 52.74 36.17 80.95 3 0 1000.00 -999 ? >TYR^A 132 54.80 38.91 74.94 55.99 37.01 73.25 55.39 37.96 74.10 3 0 1000.00 -999 ? >PRO^A 133 56.31 41.59 80.72 54.60 42.05 79.34 55.46 41.82 80.03 3 0 1000.00 -999 ? >TYR^A 134 54.28 46.76 75.31 55.08 48.74 73.49 54.68 47.75 74.40 3 0 1000.00 -999 ? >GLY^A 135 54.73 49.52 78.80 54.73 49.32 77.97 54.73 49.42 78.38 1 0 1000.00 -999 ? >MET^A 136 52.92 52.03 76.57 51.23 52.41 73.63 52.07 52.22 75.10 2 0 1000.00 -999 ? >GLY.A 137 54.33 55.47 75.89 54.83 54.86 75.93 54.58 55.17 75.91 1 0 1000.00 -999 ? >ASN.A 138 58.70 53.36 75.89 59.42 52.85 77.83 59.06 53.11 76.86 2 0 1000.00 -999 ? >LEU.A 139 58.29 57.85 72.54 56.41 58.79 73.12 57.35 58.32 72.83 3 0 1000.00 -999 ? >THR.A 140 60.07 61.44 74.10 61.98 62.14 74.85 61.02 61.79 74.48 2 0 1000.00 -999 ? >LEU.A 141 56.08 63.90 73.38 54.98 65.27 72.15 55.53 64.58 72.76 3 0 1000.00 -999 ? >ASN.A 142 60.79 67.20 71.56 62.35 65.99 72.39 61.57 66.59 71.97 2 0 1000.00 -999 ? >GLU.A 143 55.15 68.70 71.45 55.28 70.03 69.80 55.21 69.37 70.62 2 0 1000.00 -999 ? >PRO.A 144 57.60 74.08 73.27 57.64 72.36 74.70 57.62 73.22 73.98 3 0 1000.00 -999 ? >PHE.A 145 53.74 75.35 75.60 54.85 77.91 75.34 54.29 76.63 75.47 3 0 1000.00 -999 ? >VAL.A 146 53.51 69.33 77.11 52.47 68.21 75.54 52.99 68.77 76.32 3 0 1000.00 -999 ? >LYS.A 147 54.53 67.33 80.18 51.71 69.03 85.60 53.12 68.18 82.89 2 0 1000.00 -999 ? >GLU.A 148 58.88 63.62 78.57 58.52 64.54 76.69 58.70 64.08 77.63 2 0 1000.00 -999 ? >LYS.A 149 54.08 61.65 80.83 49.73 63.19 84.52 51.90 62.42 82.67 2 0 1000.00 -999 ? >LYS.A 150 54.72 58.20 79.36 60.11 58.74 80.48 57.42 58.47 79.92 2 0 1000.00 -999 ? >GLU~A 151 50.21 58.92 79.23 48.97 59.78 80.72 49.59 59.35 79.97 2 0 1000.00 -999 ? >LEU~A 152 47.66 55.26 75.72 46.69 55.13 73.78 47.17 55.20 74.75 3 0 1000.00 -999 ? >GLU~A 153 46.09 60.11 76.31 45.82 58.39 77.55 45.96 59.25 76.93 2 0 1000.00 -999 ? >LEU~A 154 53.06 60.15 75.74 54.74 61.45 76.23 53.90 60.80 75.99 3 0 1000.00 -999 ? >SER~A 155 52.26 58.20 71.79 52.93 56.07 72.73 52.60 57.14 72.26 2 0 1000.00 -999 ? >LEU~A 156 47.65 59.62 71.04 46.65 57.91 70.14 47.15 58.77 70.59 3 0 1000.00 -999 ? >ALA~A 157 50.47 63.09 70.81 50.93 63.68 72.14 50.70 63.38 71.48 2 0 1000.00 -999 ? >TYR~A 158 55.81 60.84 68.51 58.15 60.83 66.99 56.98 60.83 67.75 3 0 1000.00 -999 ? >LEU~A 159 50.32 59.69 66.09 49.50 58.61 64.40 49.91 59.15 65.25 3 0 1000.00 -999 ? >ALA~A 160 49.69 64.13 65.99 48.97 64.77 67.18 49.33 64.45 66.58 2 0 1000.00 -999 ? >LYS~A 161 53.11 65.75 65.81 58.47 67.11 68.85 55.79 66.43 67.33 2 0 1000.00 -999 ? >LEU~A 162 54.44 62.19 62.76 56.18 61.21 63.60 55.31 61.70 63.18 3 0 1000.00 -999 ? >ASP~A 163 49.63 64.05 61.72 48.11 63.93 60.26 48.87 63.99 60.99 2 0 1000.00 -999 ? >GLY~A 164 51.85 68.22 61.60 51.28 67.87 62.02 51.56 68.05 61.81 1 0 1000.00 -999 ? >ILE~A 165 47.92 67.79 64.53 46.61 67.92 63.85 47.26 67.86 64.19 3 0 1000.00 -999 ? >LEU~A 166 51.66 69.28 67.80 50.85 67.85 69.19 51.26 68.56 68.50 3 0 1000.00 -999 ? >GLU~A 167 53.98 73.04 62.50 55.12 74.39 63.65 54.55 73.71 63.08 2 0 1000.00 -999 ? >LYS~A 168 49.42 73.83 63.00 43.88 72.72 60.08 46.65 73.28 61.54 2 0 1000.00 -999 ? >TYR~A 169 46.31 73.48 66.86 43.79 73.41 65.60 45.05 73.44 66.23 3 0 1000.00 -999 ? >ARG~A 170 54.85 76.21 68.40 54.39 79.25 68.26 54.62 77.73 68.33 2 0 1000.00 -999 ? >GLY~A 171 49.84 78.90 69.46 49.50 78.13 69.71 49.67 78.51 69.58 1 0 1000.00 -999 ? >SER~A 172 46.82 77.24 71.04 45.22 76.86 69.25 46.02 77.05 70.15 2 0 1000.00 -999 ? >MET~A 173 49.06 75.05 73.23 51.02 71.57 71.78 50.04 73.31 72.51 2 0 1000.00 -999 ? >ARG~A 174 52.62 81.48 73.31 55.51 80.55 72.98 54.06 81.01 73.14 2 0 1000.00 -999 ? >ALA~A 175 47.54 79.86 75.25 46.50 80.29 74.23 47.02 80.08 74.74 2 0 1000.00 -999 ? >LEU~A 176 45.92 75.32 76.32 44.04 75.37 75.21 44.98 75.34 75.76 3 0 1000.00 -999 ? >SER~A 177 49.22 76.50 79.07 51.53 75.88 79.53 50.38 76.18 79.30 2 0 1000.00 -999 ? >GLN~A 178 50.51 81.87 78.81 50.49 83.49 77.40 50.50 82.68 78.11 2 0 1000.00 -999 ? >ASP~A 179 44.23 79.93 80.19 44.13 81.57 78.83 44.18 80.75 79.51 2 0 1000.00 -999 ? >LYS~A 180 45.87 76.67 82.89 47.49 70.57 82.68 46.68 73.62 82.78 2 0 1000.00 -999 ? >GLY~A 181 48.89 77.93 84.77 48.86 77.21 84.38 48.88 77.57 84.58 1 0 1000.00 -999 ? >ASP.A 182 50.44 73.79 84.99 51.83 72.22 85.44 51.14 73.01 85.21 2 0 1000.00 -999 ? >LYS.A 183 52.13 72.65 81.11 58.40 71.60 81.04 55.27 72.13 81.08 2 0 1000.00 -999 ? >LEU.A 184 49.25 70.95 77.75 48.21 72.75 77.23 48.73 71.85 77.49 3 0 1000.00 -999 ? >THR~A 185 49.29 66.90 79.91 47.74 66.55 81.37 48.51 66.72 80.64 2 0 1000.00 -999 ? >PRO~A 186 50.08 62.82 78.56 49.42 64.75 77.65 49.75 63.79 78.10 3 0 1000.00 -999 ? >LYS~A 187 45.58 63.92 77.72 44.52 58.96 80.34 45.05 61.44 79.03 2 0 1000.00 -999 ? >ASP~A 188 45.84 68.79 78.13 45.28 69.07 80.17 45.56 68.93 79.15 2 0 1000.00 -999 ? >VAL~A 189 46.56 67.55 73.92 48.62 67.48 73.16 47.59 67.51 73.54 3 0 1000.00 -999 ? >MET~A 190 44.10 64.83 73.07 45.56 61.78 72.70 44.83 63.30 72.89 2 0 1000.00 -999 ? >HIS~A 191 40.23 67.03 75.75 39.51 65.56 77.06 39.87 66.29 76.40 3 0 1000.00 -999 ? >ILE~A 192 44.53 70.38 71.37 45.47 71.48 71.54 45.00 70.93 71.45 3 0 1000.00 -999 ? >LEU~A 193 43.80 65.65 68.95 44.37 64.19 67.42 44.08 64.92 68.19 3 0 1000.00 -999 ? >SER~A 194 39.40 66.71 68.96 38.86 65.37 70.94 39.13 66.04 69.95 2 0 1000.00 -999 ? >ILE~A 195 39.58 71.53 68.92 39.38 72.64 69.76 39.48 72.08 69.34 3 0 1000.00 -999 ? >ALA~A 196 41.73 70.17 65.30 43.20 69.82 65.51 42.47 69.99 65.41 2 0 1000.00 -999 ? >ASN~A 197 40.20 65.85 63.99 42.30 65.53 63.87 41.25 65.69 63.93 2 0 1000.00 -999 ? >ASP.A 198 35.89 69.25 63.10 33.97 70.18 63.27 34.93 69.71 63.18 2 0 1000.00 -999 ? >TYR.A 199 35.89 63.50 67.79 34.85 61.08 68.71 35.37 62.29 68.25 3 0 1000.00 -999 ? >THR.A 200 31.86 65.63 67.43 30.84 65.82 65.56 31.35 65.72 66.49 2 0 1000.00 -999 ? >GLY.A 201 31.72 62.28 69.21 31.99 62.98 69.52 31.86 62.63 69.36 1 0 1000.00 -999 ? >ASP.A 202 30.25 61.01 73.58 30.28 61.05 75.69 30.26 61.03 74.64 2 0 1000.00 -999 ? >CSS~A 203 34.47 59.64 73.57 32.68 57.82 74.79 33.58 58.73 74.18 2 0 1000.00 -999 ? >LEU~A 204 39.17 60.58 73.75 39.62 62.59 74.39 39.39 61.58 74.07 3 0 1000.00 -999 ? >SER~A 205 38.36 56.43 72.14 36.30 55.46 73.04 37.33 55.94 72.59 2 0 1000.00 -999 ? >GLY~A 206 36.08 56.94 69.15 36.78 57.36 69.33 36.43 57.15 69.24 1 0 1000.00 -999 ? >LEU~A 207 38.78 60.93 68.69 39.77 62.68 67.89 39.27 61.81 68.29 3 0 1000.00 -999 ? >TYR~A 208 42.19 57.53 70.35 42.54 59.25 72.55 42.37 58.39 71.45 3 0 1000.00 -999 ? >GLU~A 209 38.33 53.06 67.18 36.46 52.15 67.58 37.40 52.61 67.38 2 0 1000.00 -999 ? >LYS~A 210 38.47 57.50 63.32 35.43 62.84 62.02 36.95 60.17 62.67 2 0 1000.00 -999 ? >TYR~A 211 43.65 60.88 64.11 46.03 62.28 63.61 44.84 61.58 63.86 3 0 1000.00 -999 ? >ILE~A 212 44.25 55.31 63.86 45.29 54.67 64.69 44.77 54.99 64.28 3 0 1000.00 -999 ? >GLY~A 213 41.42 54.59 60.48 41.78 55.32 60.38 41.60 54.96 60.43 1 0 1000.00 -999 ? >ILE~A 214 40.84 58.90 58.37 39.91 59.96 58.09 40.38 59.43 58.23 3 0 1000.00 -999 ? >MET~A 215 45.25 57.92 58.22 48.61 58.63 60.63 46.93 58.28 59.43 2 0 1000.00 -999 ? >ILE~A 216 44.87 53.12 57.73 44.97 51.80 58.39 44.92 52.46 58.06 3 0 1000.00 -999 ? >HIS~A 217 41.53 54.40 54.01 40.30 52.70 54.18 40.91 53.55 54.10 3 0 1000.00 -999 ? >ARG~A 218 44.77 61.87 55.93 46.41 62.49 58.47 45.59 62.18 57.20 2 0 1000.00 -999 ? >ASN~A 219 49.45 59.65 55.17 51.58 59.77 55.06 50.51 59.71 55.12 2 0 1000.00 -999 ? >ARG~A 220 48.74 51.15 54.25 50.11 48.50 54.96 49.42 49.83 54.60 2 0 1000.00 -999 ? >GLU~A 221 54.19 54.75 53.23 54.44 52.74 53.85 54.31 53.75 53.54 2 0 1000.00 -999 ? >LEU~A 222 52.18 59.14 58.12 52.49 60.96 59.23 52.34 60.05 58.68 3 0 1000.00 -999 ? >LEU~A 223 49.93 54.88 60.39 48.66 53.93 61.88 49.29 54.40 61.14 3 0 1000.00 -999 ? >ILE~A 224 54.01 52.06 58.55 54.08 50.92 57.68 54.05 51.49 58.12 3 0 1000.00 -999 ? >ARG~A 225 58.04 58.63 59.70 58.88 61.49 60.45 58.46 60.06 60.07 2 0 1000.00 -999 ? >PHE~A 226 52.90 56.69 65.14 51.69 56.28 67.63 52.30 56.49 66.38 3 0 1000.00 -999 ? >LEU~A 227 53.66 51.62 64.18 51.54 51.21 64.35 52.60 51.41 64.26 3 0 1000.00 -999 ? >SER~A 228 58.15 52.02 64.26 60.10 51.51 62.87 59.13 51.76 63.57 2 0 1000.00 -999 ? >GLU~A 229 59.72 56.79 64.02 59.87 58.83 63.45 59.80 57.81 63.73 2 0 1000.00 -999 ? >VAL~A 230 57.49 54.47 69.07 55.65 55.47 69.65 56.57 54.97 69.36 3 0 1000.00 -999 ? >ASN.A 231 59.53 50.66 70.02 60.79 48.95 69.76 60.16 49.81 69.89 2 0 1000.00 -999 ? >LEU~A 232 53.76 50.28 68.38 52.35 50.88 69.91 53.05 50.58 69.14 3 0 1000.00 -999 ? >LEU~A 233 56.65 47.74 64.34 55.83 48.54 62.51 56.24 48.14 63.43 3 0 1000.00 -999 ? >PRO~A 234 58.80 46.09 68.20 57.31 45.07 66.89 58.05 45.58 67.54 3 0 1000.00 -999 ? >LEU~A 235 54.15 45.14 70.60 52.73 44.95 72.23 53.44 45.04 71.42 3 0 1000.00 -999 ? >LEU~A 236 51.64 45.32 66.03 50.42 47.04 66.49 51.03 46.18 66.26 3 0 1000.00 -999 ? >GLU~A 237 55.14 43.31 63.22 56.92 43.69 62.14 56.03 43.50 62.68 2 0 1000.00 -999 ? >ARG~A 238 56.65 38.26 68.53 59.02 37.45 70.29 57.84 37.86 69.41 2 0 1000.00 -999 ? >MET~A 239 50.32 39.55 68.49 49.01 43.28 69.98 49.66 41.41 69.23 2 0 1000.00 -999 ? >VAL~A 240 49.61 38.67 64.87 48.55 39.89 63.44 49.08 39.28 64.15 3 0 1000.00 -999 ? >GLY.A 241 51.42 35.90 63.04 51.21 35.94 63.82 51.31 35.92 63.43 1 0 1000.00 -999 ? >MET.B 1 4.54 53.19 90.64 7.92 53.63 91.16 6.23 53.41 90.90 2 0 1000.00 -999 ? >ARG^B 2 2.74 59.32 90.36 3.21 62.02 88.97 2.98 60.67 89.67 2 0 1000.00 -999 ? >ILE^B 3 5.41 54.23 84.17 6.44 53.30 84.59 5.93 53.77 84.38 3 0 1000.00 -999 ? >LYS^B 4 7.28 58.29 82.88 6.39 63.34 86.57 6.84 60.82 84.73 2 0 1000.00 -999 ? >LEU^B 5 8.53 57.24 78.42 9.47 56.10 76.81 9.00 56.67 77.61 3 0 1000.00 -999 ? >ILE^B 6 13.03 60.68 79.94 13.48 61.65 80.89 13.25 61.17 80.42 3 0 1000.00 -999 ? >ILE^B 7 12.62 59.98 74.06 12.01 59.14 73.02 12.31 59.56 73.54 3 0 1000.00 -999 ? >VAL.B 8 16.92 61.83 74.56 17.88 61.68 76.50 17.40 61.75 75.53 3 0 1000.00 -999 ? >GLU.B 9 20.55 62.43 69.50 21.08 64.14 68.34 20.82 63.29 68.92 2 0 1000.00 -999 ? >GLY~B 10 22.55 60.18 73.07 22.21 60.58 73.65 22.38 60.38 73.36 1 0 1000.00 -999 ? >LYS~B 11 24.74 59.26 76.07 25.60 56.02 80.16 25.17 57.64 78.11 2 0 1000.00 -999 ? >THR~B 12 25.75 62.91 76.52 26.62 63.64 74.66 26.18 63.27 75.59 2 0 1000.00 -999 ? >ASP~B 13 21.05 63.93 75.84 21.82 64.71 74.04 21.44 64.32 74.94 2 0 1000.00 -999 ? >GLU~B 14 21.18 58.48 79.88 22.27 56.66 79.85 21.73 57.57 79.87 2 0 1000.00 -999 ? >SER~B 15 24.19 61.86 81.59 26.18 60.63 80.91 25.18 61.24 81.25 2 0 1000.00 -999 ? >PHE~B 16 22.48 67.79 80.90 21.81 70.42 81.60 22.15 69.10 81.25 3 0 1000.00 -999 ? >PHE~B 17 17.87 65.19 81.15 16.84 67.37 79.72 17.36 66.28 80.43 3 0 1000.00 -999 ? >LYS~B 18 20.93 61.64 85.00 25.37 57.69 84.86 23.15 59.67 84.93 2 0 1000.00 -999 ? >VAL~B 19 23.21 63.73 87.20 24.75 65.26 86.91 23.98 64.49 87.05 3 0 1000.00 -999 ? >LEU~B 20 19.91 67.25 86.52 20.65 69.17 85.85 20.28 68.21 86.18 3 0 1000.00 -999 ? >LEU~B 21 17.14 62.92 87.42 15.50 63.39 86.09 16.32 63.15 86.75 3 0 1000.00 -999 ? >GLU~B 22 20.64 59.63 89.75 22.28 58.36 89.23 21.46 58.99 89.49 2 0 1000.00 -999 ? >LYS~B 23 22.23 64.45 92.61 25.23 60.31 93.01 23.73 62.38 92.81 2 0 1000.00 -999 ? >LEU~B 24 19.69 68.35 91.41 19.34 70.48 91.57 19.51 69.41 91.49 3 0 1000.00 -999 ? >TYR.B 25 15.22 67.04 91.07 14.81 69.62 90.05 15.02 68.33 90.56 3 0 1000.00 -999 ? >GLY.B 26 17.44 62.59 94.75 17.18 62.55 94.06 17.31 62.57 94.40 1 0 1000.00 -999 ? >PHE.B 27 14.69 60.56 90.57 11.99 61.25 90.38 13.34 60.91 90.47 3 0 1000.00 -999 ? >ARG^B 28 17.00 54.17 95.06 15.18 51.93 93.99 16.09 53.05 94.52 2 0 1000.00 -999 ? >GLU^B 29 20.98 54.51 88.14 22.68 53.78 87.13 21.83 54.15 87.63 2 0 1000.00 -999 ? >ALA.B 30 16.75 50.83 89.60 16.04 50.31 88.36 16.40 50.57 88.98 2 0 1000.00 -999 ? >LYS.B 31 18.05 47.89 91.63 13.94 47.34 96.45 16.00 47.61 94.04 2 0 1000.00 -999 ? >LYS.B 32 18.94 44.52 90.07 22.51 45.06 92.98 20.73 44.79 91.52 2 0 1000.00 -999 ? >LEU.B 33 14.62 46.31 88.90 12.54 46.57 88.39 13.58 46.44 88.64 3 0 1000.00 -999 ? >THR.B 34 16.41 44.28 84.88 18.54 44.13 84.49 17.47 44.21 84.68 2 0 1000.00 -999 ? >PRO.B 35 12.23 45.31 84.08 13.64 43.67 83.54 12.94 44.49 83.81 3 0 1000.00 -999 ? >GLU.B 36 14.76 40.55 79.19 16.64 41.23 78.50 15.70 40.89 78.84 2 0 1000.00 -999 ? >PHE.B 37 11.89 47.84 79.26 12.32 49.25 81.64 12.11 48.54 80.45 3 0 1000.00 -999 ? >PRO.B 38 7.29 44.28 77.15 9.32 44.09 76.26 8.30 44.18 76.71 3 0 1000.00 -999 ? >ILE.B 39 10.79 44.70 71.18 11.13 44.29 69.81 10.96 44.49 70.50 3 0 1000.00 -999 ? >GLY.B 40 6.14 44.49 71.49 6.40 45.02 72.07 6.27 44.75 71.78 1 0 1000.00 -999 ? >LYS.B 41 5.01 47.07 74.04 2.25 44.32 79.03 3.63 45.69 76.53 2 0 1000.00 -999 ? >TRP.B 42 8.11 48.50 77.15 7.71 51.86 79.15 7.91 50.18 78.15 3 0 1000.00 -999 ? >GLY.B 43 8.99 49.33 70.56 9.46 49.47 71.18 9.22 49.40 70.87 1 0 1000.00 -999 ? >PHE.B 44 14.31 51.00 72.52 16.40 52.86 72.46 15.35 51.93 72.49 3 0 1000.00 -999 ? >ARG.B 45 15.18 48.13 66.39 12.55 49.64 66.87 13.87 48.88 66.63 2 0 1000.00 -999 ? >ILE.B 46 16.50 43.02 70.00 15.88 42.67 69.47 16.19 42.84 69.73 3 0 1000.00 -999 ? >GLY.B 47 19.31 44.35 73.24 18.78 44.94 73.21 19.05 44.65 73.22 1 0 1000.00 -999 ? >GLU.B 48 18.31 50.29 73.62 17.55 51.47 75.19 17.93 50.88 74.41 2 0 1000.00 -999 ? >HIS.B 49 20.14 46.26 78.68 20.46 44.31 77.99 20.30 45.28 78.33 3 0 1000.00 -999 ? >PRO.B 50 15.14 50.35 79.51 17.25 50.95 79.15 16.20 50.65 79.33 3 0 1000.00 -999 ? >LEU^B 51 18.97 54.92 82.32 20.19 55.80 83.88 19.58 55.36 83.10 3 0 1000.00 -999 ? >VAL^B 52 15.52 53.48 85.16 14.02 51.90 85.23 14.77 52.69 85.19 3 0 1000.00 -999 ? >LEU^B 53 16.04 57.58 87.53 18.00 58.14 86.89 17.02 57.86 87.21 3 0 1000.00 -999 ? >GLU^B 54 12.58 53.66 90.07 11.87 51.73 90.64 12.23 52.69 90.35 2 0 1000.00 -999 ? >LYS^B 55 12.30 58.10 93.87 12.84 63.98 95.86 12.57 61.04 94.86 2 0 1000.00 -999 ? >ASP.B 56 8.61 58.94 96.09 9.76 60.34 97.22 9.19 59.64 96.66 2 0 1000.00 -999 ? >ASN.B 57 5.08 56.25 94.18 4.07 58.08 93.75 4.58 57.16 93.96 2 0 1000.00 -999 ? >ILE^B 58 8.19 59.09 90.30 7.84 60.42 89.79 8.02 59.76 90.05 3 0 1000.00 -999 ? >ALA^B 59 9.91 55.65 87.86 9.52 54.19 87.64 9.72 54.92 87.75 2 0 1000.00 -999 ? >LEU^B 60 12.53 58.81 85.44 11.73 60.67 86.19 12.13 59.74 85.82 3 0 1000.00 -999 ? >VAL^B 61 12.67 55.30 82.17 11.33 54.15 80.86 12.00 54.72 81.52 3 0 1000.00 -999 ? >ILE^B 62 16.38 57.97 80.81 16.96 59.11 81.39 16.67 58.54 81.10 3 0 1000.00 -999 ? >ILE^B 63 15.28 55.24 75.84 13.91 54.80 75.59 14.59 55.02 75.72 3 0 1000.00 -999 ? >HIS.B 64 21.08 57.00 74.94 22.49 55.58 75.57 21.79 56.29 75.25 3 0 1000.00 -999 ? >ALA.B 65 20.60 56.20 70.84 21.55 55.07 71.27 21.07 55.63 71.06 2 0 1000.00 -999 ? >GLU.B 66 14.70 56.32 69.75 14.76 54.86 71.28 14.73 55.59 70.52 2 0 1000.00 -999 ? >GLY.B 67 17.38 57.37 65.68 16.81 57.81 66.14 17.09 57.59 65.91 1 0 1000.00 -999 ? >LYS.B 68 15.59 59.67 63.26 15.81 65.21 63.22 15.70 62.44 63.24 2 0 1000.00 -999 ? >GLN.B 69 14.58 55.26 61.19 14.84 54.11 59.41 14.71 54.68 60.30 2 0 1000.00 -999 ? >ARG~B 70 15.25 52.87 68.00 17.68 51.24 67.07 16.46 52.06 67.53 2 0 1000.00 -999 ? >ILE~B 71 11.64 59.44 67.72 12.22 59.84 69.04 11.93 59.64 68.38 3 0 1000.00 -999 ? >PRO~B 72 9.46 57.45 63.95 8.79 57.64 66.05 9.12 57.54 65.00 3 0 1000.00 -999 ? >LYS~B 73 8.10 53.77 66.35 6.04 50.24 62.91 7.07 52.00 64.63 2 0 1000.00 -999 ? >VAL~B 74 8.63 54.14 70.08 10.37 54.51 71.36 9.50 54.32 70.72 3 0 1000.00 -999 ? >LEU~B 75 5.77 58.06 69.85 6.42 59.90 70.75 6.10 58.98 70.30 3 0 1000.00 -999 ? >LYS~B 76 3.48 54.58 68.29 0.90 51.73 64.48 2.19 53.16 66.39 2 0 1000.00 -999 ? >SER~B 77 4.09 51.35 70.25 5.98 50.23 69.18 5.03 50.79 69.71 2 0 1000.00 -999 ? >VAL~B 78 3.78 53.01 73.65 5.18 54.10 74.98 4.48 53.56 74.31 3 0 1000.00 -999 ? >LEU~B 79 0.51 56.03 71.62 0.68 58.07 72.28 0.59 57.05 71.95 3 0 1000.00 -999 ? >ASP~B 80 -0.11 50.80 70.03 -0.41 51.54 68.06 -0.26 51.17 69.05 2 0 1000.00 -999 ? >SER~B 81 -0.05 49.91 74.42 2.17 48.98 74.17 1.06 49.44 74.30 2 0 1000.00 -999 ? >VAL~B 82 -1.59 52.57 76.64 -0.52 54.47 76.33 -1.06 53.52 76.48 3 0 1000.00 -999 ? >LYS~B 83 -4.69 52.54 74.45 -7.04 53.80 68.67 -5.86 53.17 71.56 2 0 1000.00 -999 ? >LEU~B 84 -4.36 47.75 74.47 -5.10 47.10 72.55 -4.73 47.42 73.51 3 0 1000.00 -999 ? >GLY.B 85 -4.06 49.54 78.88 -3.63 49.11 78.32 -3.84 49.33 78.60 1 0 1000.00 -999 ? >LEU.B 86 -0.52 46.84 77.04 -1.64 45.26 76.06 -1.08 46.05 76.55 3 0 1000.00 -999 ? >LEU.B 87 2.44 50.70 78.87 4.28 49.85 78.11 3.36 50.27 78.49 3 0 1000.00 -999 ? >ASN.B 88 1.31 52.17 84.14 0.08 50.57 84.82 0.69 51.37 84.48 2 0 1000.00 -999 ? >VAL^B 89 3.06 55.31 80.99 4.55 55.48 79.41 3.80 55.39 80.20 3 0 1000.00 -999 ? >GLU^B 90 2.01 59.26 84.30 1.28 59.11 86.30 1.64 59.18 85.30 2 0 1000.00 -999 ? >GLU^B 91 3.62 63.06 82.30 4.04 63.81 84.23 3.83 63.43 83.26 2 0 1000.00 -999 ? >VAL^B 92 6.48 61.17 77.73 6.24 59.79 76.04 6.36 60.48 76.88 3 0 1000.00 -999 ? >TYR^B 93 9.46 64.38 79.77 7.88 65.19 81.93 8.67 64.79 80.85 3 0 1000.00 -999 ? >VAL^B 94 11.13 64.13 74.06 10.09 63.25 72.38 10.61 63.69 73.22 3 0 1000.00 -999 ? >VAL^B 95 14.17 66.38 74.04 15.19 66.31 75.99 14.68 66.35 75.01 3 0 1000.00 -999 ? >ARG^B 96 15.19 68.00 67.93 13.68 67.29 65.36 14.43 67.65 66.64 2 0 1000.00 -999 ? >ASP^B 97 20.20 69.87 69.53 21.68 68.92 70.69 20.94 69.40 70.11 2 0 1000.00 -999 ? >VAL.B 98 17.03 73.13 68.91 16.34 75.08 69.67 16.68 74.11 69.29 3 0 1000.00 -999 ? >ASP.B 99 20.87 73.81 65.96 22.10 72.29 66.80 21.48 73.05 66.38 2 0 1000.00 -999 ? >GLU.B 100 19.08 67.67 65.30 19.85 66.61 66.97 19.46 67.14 66.14 2 0 1000.00 -999 ? >GLY.B 101 15.51 69.80 62.12 15.69 70.38 62.62 15.60 70.09 62.37 1 0 1000.00 -999 ? >ASN.B 102 11.06 71.54 61.76 11.35 71.34 59.65 11.20 71.44 60.71 2 0 1000.00 -999 ? >ASP~B 103 9.57 73.93 65.91 9.04 74.10 67.91 9.31 74.02 66.91 2 0 1000.00 -999 ? >VAL~B 104 10.58 70.14 68.27 11.10 69.94 70.40 10.84 70.04 69.33 3 0 1000.00 -999 ? >PHE~B 105 6.29 72.04 70.92 6.54 72.36 73.70 6.42 72.20 72.31 3 0 1000.00 -999 ? >GLU~B 106 5.70 70.97 62.89 6.92 71.38 61.27 6.31 71.18 62.08 2 0 1000.00 -999 ? >TRP~B 107 10.47 65.40 63.99 12.29 63.93 67.16 11.38 64.67 65.57 3 0 1000.00 -999 ? >VAL~B 108 6.60 65.34 67.77 6.85 65.19 69.93 6.72 65.26 68.85 3 0 1000.00 -999 ? >LEU~B 109 2.58 67.78 66.49 1.40 68.85 67.94 1.99 68.31 67.21 3 0 1000.00 -999 ? >SER~B 110 3.90 65.15 63.03 6.32 65.00 62.52 5.11 65.07 62.77 2 0 1000.00 -999 ? >PHE.B 111 6.57 61.51 65.08 9.15 62.17 64.22 7.86 61.84 64.65 3 0 1000.00 -999 ? >LEU.B 112 0.60 62.73 67.54 1.73 62.27 69.32 1.16 62.50 68.43 3 0 1000.00 -999 ? >ARG.B 113 0.75 63.82 59.95 -1.74 63.24 58.24 -0.49 63.53 59.09 2 0 1000.00 -999 ? >GLU.B 114 -2.76 58.37 61.43 -0.66 58.70 61.25 -1.71 58.53 61.34 2 0 1000.00 -999 ? >ARG.B 115 -1.35 58.45 68.35 -1.68 55.42 68.77 -1.52 56.93 68.56 2 0 1000.00 -999 ? >GLU.B 116 -8.94 63.54 69.97 -10.75 62.82 70.79 -9.85 63.18 70.38 2 0 1000.00 -999 ? >VAL.B 117 -4.48 65.54 70.51 -2.34 65.56 70.13 -3.41 65.55 70.32 3 0 1000.00 -999 ? >ARG^B 118 -8.84 68.85 74.43 -11.69 69.73 75.20 -10.27 69.29 74.82 2 0 1000.00 -999 ? >VAL^B 119 -2.88 71.15 73.61 -2.20 71.78 71.65 -2.54 71.46 72.63 3 0 1000.00 -999 ? >ASP.B 120 -2.28 72.15 78.08 -4.17 71.20 78.14 -3.23 71.67 78.11 2 0 1000.00 -999 ? >ASN.B 121 0.92 75.47 79.66 0.17 74.22 81.23 0.54 74.85 80.45 2 0 1000.00 -999 ? >GLY.B 122 3.82 73.06 76.58 3.12 72.74 76.80 3.47 72.90 76.69 1 0 1000.00 -999 ? >ALA.B 123 1.91 69.81 77.10 1.30 69.57 78.48 1.60 69.69 77.79 2 0 1000.00 -999 ? >ILE^B 124 1.28 67.08 73.21 1.61 67.00 71.77 1.45 67.04 72.49 3 0 1000.00 -999 ? >VAL^B 125 -2.39 65.56 75.77 -3.42 66.15 77.60 -2.91 65.85 76.68 3 0 1000.00 -999 ? >THR^B 126 -3.48 62.36 74.05 -2.34 61.47 72.42 -2.91 61.92 73.24 2 0 1000.00 -999 ? >GLU.B 127 -4.44 58.00 73.17 -3.53 56.35 72.24 -3.98 57.18 72.70 2 0 1000.00 -999 ? >GLY.B 128 -4.54 60.25 78.98 -3.97 60.29 78.41 -4.25 60.27 78.69 1 0 1000.00 -999 ? >VAL^B 129 -0.82 60.82 78.36 0.45 59.18 77.69 -0.19 60.00 78.03 3 0 1000.00 -999 ? >LYS^B 130 1.03 64.13 78.68 -1.25 66.97 83.83 -0.11 65.55 81.26 2 0 1000.00 -999 ? >ILE^B 131 3.39 64.15 74.55 3.54 63.31 73.38 3.47 63.73 73.97 3 0 1000.00 -999 ? >TYR^B 132 5.68 67.49 79.12 3.74 67.74 81.12 4.71 67.61 80.12 3 0 1000.00 -999 ? >PRO^B 133 6.60 68.93 72.69 7.96 67.96 74.16 7.28 68.45 73.42 3 0 1000.00 -999 ? >TYR^B 134 12.80 70.95 76.58 14.47 72.95 77.64 13.64 71.95 77.11 3 0 1000.00 -999 ? >GLY^B 135 14.29 71.97 72.59 14.28 72.03 73.41 14.28 72.00 73.00 1 0 1000.00 -999 ? >MET^B 136 17.76 72.06 74.14 19.34 71.13 77.09 18.55 71.60 75.61 2 0 1000.00 -999 ? >GLY.B 137 19.83 75.18 73.65 19.08 75.33 73.78 19.46 75.26 73.71 1 0 1000.00 -999 ? >ASN.B 138 15.84 77.99 73.82 14.79 77.20 72.14 15.31 77.60 72.98 2 0 1000.00 -999 ? >LEU.B 139 20.33 80.25 76.15 22.17 79.27 75.53 21.25 79.76 75.84 3 0 1000.00 -999 ? >THR.B 140 22.31 83.21 73.67 21.90 85.00 72.51 22.10 84.10 73.09 2 0 1000.00 -999 ? >LEU.B 141 26.46 80.94 74.41 28.46 80.96 75.22 27.46 80.95 74.81 3 0 1000.00 -999 ? >ASN.B 142 27.18 86.95 74.60 25.21 87.44 74.04 26.20 87.20 74.32 2 0 1000.00 -999 ? >GLU.B 143 31.36 82.78 75.09 32.72 83.96 76.19 32.04 83.37 75.64 2 0 1000.00 -999 ? >PRO.B 144 34.55 86.83 72.25 32.82 86.03 71.07 33.69 86.43 71.66 3 0 1000.00 -999 ? >PHE.B 145 37.20 84.12 69.46 38.69 86.49 69.34 37.94 85.30 69.40 3 0 1000.00 -999 ? >VAL.B 146 32.03 80.67 69.56 31.90 79.61 71.46 31.97 80.14 70.51 3 0 1000.00 -999 ? >LYS.B 147 29.40 79.89 66.92 31.61 76.98 61.76 30.51 78.43 64.34 2 0 1000.00 -999 ? >GLU.B 148 24.21 82.04 69.07 25.28 82.43 70.87 24.75 82.23 69.97 2 0 1000.00 -999 ? >LYS.B 149 24.60 76.62 67.68 27.63 72.12 65.39 26.12 74.37 66.53 2 0 1000.00 -999 ? >LYS.B 150 21.50 75.91 69.75 17.26 80.63 69.47 19.38 78.27 69.61 2 0 1000.00 -999 ? >GLU~B 151 24.52 72.20 70.56 25.75 71.47 68.98 25.14 71.84 69.77 2 0 1000.00 -999 ? >LEU~B 152 23.10 69.32 74.79 23.35 68.25 76.64 23.23 68.78 75.72 3 0 1000.00 -999 ? >GLU~B 153 28.02 70.09 73.33 26.49 68.76 72.67 27.26 69.43 73.00 2 0 1000.00 -999 ? >LEU~B 154 24.57 76.18 73.12 24.67 78.19 72.30 24.62 77.19 72.71 3 0 1000.00 -999 ? >SER~B 155 23.82 75.36 77.46 21.59 74.64 76.89 22.71 75.00 77.18 2 0 1000.00 -999 ? >LEU~B 156 27.28 72.19 78.68 26.64 70.25 79.47 26.96 71.22 79.07 3 0 1000.00 -999 ? >ALA~B 157 28.97 76.33 77.62 29.07 76.71 76.15 29.02 76.52 76.89 2 0 1000.00 -999 ? >TYR~B 158 24.72 80.38 79.64 23.61 82.63 80.87 24.17 81.51 80.25 3 0 1000.00 -999 ? >LEU~B 159 26.82 75.74 82.86 26.56 74.82 84.81 26.69 75.28 83.84 3 0 1000.00 -999 ? >ALA~B 160 30.97 77.32 82.13 31.73 76.66 80.99 31.35 76.99 81.56 2 0 1000.00 -999 ? >LYS~B 161 30.57 81.00 81.32 28.23 85.54 77.65 29.40 83.27 79.49 2 0 1000.00 -999 ? >LEU~B 162 27.30 81.18 84.91 25.42 82.08 84.33 26.36 81.63 84.62 3 0 1000.00 -999 ? >ASP~B 163 31.41 78.05 86.22 32.32 77.06 87.86 31.87 77.55 87.04 2 0 1000.00 -999 ? >GLY~B 164 33.81 81.95 85.18 33.78 81.19 84.94 33.80 81.57 85.06 1 0 1000.00 -999 ? >ILE~B 165 35.32 77.75 83.20 35.50 76.35 83.48 35.41 77.05 83.34 3 0 1000.00 -999 ? >LEU~B 166 34.08 81.01 79.07 33.16 79.33 78.06 33.62 80.17 78.57 3 0 1000.00 -999 ? >GLU~B 167 36.57 86.43 82.21 38.51 86.78 82.96 37.54 86.61 82.59 2 0 1000.00 -999 ? >LYS~B 168 39.72 82.18 82.82 42.42 78.74 86.02 41.07 80.46 84.42 2 0 1000.00 -999 ? >TYR~B 169 40.61 78.67 79.52 41.81 76.73 81.17 41.21 77.70 80.35 3 0 1000.00 -999 ? >ARG~B 170 39.48 87.20 76.99 42.14 88.11 75.74 40.81 87.66 76.37 2 0 1000.00 -999 ? >GLY~B 171 43.00 83.66 75.27 42.45 82.98 75.28 42.72 83.32 75.28 1 0 1000.00 -999 ? >SER~B 172 42.76 79.95 74.49 43.53 78.78 76.51 43.14 79.37 75.50 2 0 1000.00 -999 ? >MET~B 173 39.42 80.40 72.66 35.67 80.69 74.70 37.54 80.55 73.68 2 0 1000.00 -999 ? >ARG~B 174 42.94 86.57 70.66 40.98 88.81 69.87 41.96 87.69 70.27 2 0 1000.00 -999 ? >ALA~B 175 44.12 81.10 69.87 45.13 80.67 70.93 44.62 80.88 70.40 2 0 1000.00 -999 ? >LEU~B 176 41.20 77.14 69.98 42.59 75.76 70.92 41.90 76.45 70.45 3 0 1000.00 -999 ? >SER~B 177 39.85 79.82 66.69 38.03 81.22 65.98 38.94 80.52 66.34 2 0 1000.00 -999 ? >GLN~B 178 45.00 82.75 64.76 46.27 84.13 65.80 45.63 83.44 65.28 2 0 1000.00 -999 ? >ASP~B 179 45.12 77.11 65.53 46.81 77.97 66.46 45.97 77.54 65.99 2 0 1000.00 -999 ? >LYS~B 180 41.26 76.33 63.44 37.17 72.66 64.52 39.22 74.49 63.98 2 0 1000.00 -999 ? >GLY~B 181 40.71 79.12 60.92 40.13 78.84 61.46 40.42 78.98 61.19 1 0 1000.00 -999 ? >ASP.B 182 36.43 78.35 61.29 34.33 78.53 61.20 35.38 78.44 61.25 2 0 1000.00 -999 ? >LYS.B 183 34.92 80.14 65.06 31.01 85.07 65.82 32.96 82.60 65.44 2 0 1000.00 -999 ? >LEU.B 184 35.36 77.53 69.07 37.47 77.39 69.52 36.41 77.46 69.29 3 0 1000.00 -999 ? >THR~B 185 31.68 75.18 67.99 32.04 73.37 66.89 31.86 74.27 67.44 2 0 1000.00 -999 ? >PRO~B 186 28.00 74.42 70.15 30.14 74.77 70.65 29.07 74.59 70.40 3 0 1000.00 -999 ? >LYS~B 187 31.38 71.11 71.14 27.20 68.11 69.04 29.29 69.61 70.09 2 0 1000.00 -999 ? >ASP~B 188 35.52 73.48 69.80 35.50 72.81 67.78 35.51 73.14 68.79 2 0 1000.00 -999 ? >VAL~B 189 34.37 74.48 74.01 33.34 76.35 74.51 33.85 75.41 74.26 3 0 1000.00 -999 ? >MET~B 190 33.42 71.24 75.69 30.23 71.30 76.60 31.83 71.27 76.15 2 0 1000.00 -999 ? >HIS~B 191 36.80 68.54 72.94 35.83 66.78 72.32 36.31 67.66 72.63 3 0 1000.00 -999 ? >ILE~B 192 38.05 74.72 76.07 38.30 76.01 75.59 38.17 75.36 75.83 3 0 1000.00 -999 ? >LEU~B 193 34.87 72.36 79.60 33.58 72.59 81.29 34.23 72.47 80.45 3 0 1000.00 -999 ? >SER~B 194 38.05 69.15 79.81 36.92 67.77 78.16 37.48 68.46 78.98 2 0 1000.00 -999 ? >ILE~B 195 42.13 71.55 78.81 43.11 71.64 77.75 42.62 71.60 78.28 3 0 1000.00 -999 ? >ALA~B 196 40.28 73.50 82.34 39.16 74.50 82.07 39.72 74.00 82.21 2 0 1000.00 -999 ? >ASN~B 197 37.52 70.40 84.78 36.02 71.93 84.79 36.77 71.16 84.79 2 0 1000.00 -999 ? >ASP.B 198 42.78 68.57 85.42 44.54 67.40 85.20 43.66 67.99 85.31 2 0 1000.00 -999 ? >TYR.B 199 37.25 64.94 82.09 35.58 62.71 81.81 36.41 63.83 81.95 3 0 1000.00 -999 ? >THR.B 200 41.15 62.55 82.40 42.26 62.27 84.23 41.70 62.41 83.32 2 0 1000.00 -999 ? >GLY.B 201 38.12 60.53 81.35 38.54 61.01 80.84 38.33 60.77 81.10 1 0 1000.00 -999 ? >ASP.B 202 37.29 57.59 77.67 37.00 57.05 75.62 37.15 57.32 76.65 2 0 1000.00 -999 ? >CSS~B 203 33.90 60.53 77.41 33.12 57.84 76.78 33.51 59.18 77.10 2 0 1000.00 -999 ? >LEU~B 204 32.14 64.93 76.41 33.56 66.07 75.25 32.85 65.50 75.83 3 0 1000.00 -999 ? >SER~B 205 29.32 62.55 79.03 29.35 60.14 78.57 29.34 61.35 78.80 2 0 1000.00 -999 ? >GLY~B 206 31.41 61.51 82.03 31.35 62.28 81.70 31.38 61.90 81.86 1 0 1000.00 -999 ? >LEU~B 207 33.41 65.83 81.27 34.40 67.75 81.55 33.90 66.79 81.41 3 0 1000.00 -999 ? >TYR~B 208 28.56 66.71 80.16 29.45 67.42 77.61 29.01 67.06 78.88 3 0 1000.00 -999 ? >GLU~B 209 27.24 62.06 84.61 27.34 59.96 84.53 27.29 61.01 84.57 2 0 1000.00 -999 ? >LYS~B 210 31.58 65.00 87.30 37.94 64.86 87.63 34.76 64.93 87.46 2 0 1000.00 -999 ? >TYR~B 211 31.47 70.87 85.28 31.43 73.65 85.16 31.45 72.26 85.22 3 0 1000.00 -999 ? >ILE~B 212 26.54 68.86 86.65 25.43 69.12 85.82 25.99 68.99 86.24 3 0 1000.00 -999 ? >GLY~B 213 27.99 66.72 90.32 28.37 67.44 90.24 28.18 67.08 90.28 1 0 1000.00 -999 ? >ILE~B 214 32.10 69.01 91.74 32.48 69.41 91.01 32.29 69.21 91.37 3 0 1000.00 -999 ? >MET~B 215 28.88 72.15 91.53 27.39 74.79 88.71 28.13 73.47 90.12 2 0 1000.00 -999 ? >ILE~B 216 25.08 69.53 93.08 23.98 68.72 92.65 24.53 69.12 92.86 3 0 1000.00 -999 ? >HIS~B 217 29.16 68.69 96.56 30.62 67.55 95.56 29.89 68.12 96.06 3 0 1000.00 -999 ? >ARG~B 218 33.02 74.13 93.09 32.98 74.56 90.06 33.00 74.35 91.57 2 0 1000.00 -999 ? >ASN~B 219 28.71 77.08 93.53 27.94 79.06 93.49 28.33 78.07 93.51 2 0 1000.00 -999 ? >ARG~B 220 21.84 72.72 96.46 18.83 73.21 96.18 20.34 72.97 96.32 2 0 1000.00 -999 ? >GLU~B 221 22.26 79.22 96.27 20.21 78.68 96.04 21.23 78.95 96.16 2 0 1000.00 -999 ? >LEU~B 222 26.36 78.74 90.69 27.59 79.40 89.05 26.98 79.07 89.87 3 0 1000.00 -999 ? >LEU~B 223 23.76 74.26 89.82 23.55 72.43 88.71 23.66 73.35 89.26 3 0 1000.00 -999 ? >ILE~B 224 19.51 76.93 91.56 18.51 75.90 91.79 19.01 76.41 91.67 3 0 1000.00 -999 ? >ARG~B 225 22.06 83.38 89.44 24.75 83.75 88.02 23.40 83.56 88.73 2 0 1000.00 -999 ? >PHE~B 226 23.05 76.53 84.05 23.00 74.94 81.75 23.03 75.74 82.90 3 0 1000.00 -999 ? >LEU~B 227 18.59 74.86 86.22 19.39 72.86 86.37 18.99 73.86 86.30 3 0 1000.00 -999 ? >SER~B 228 16.53 78.82 85.61 15.51 80.66 86.82 16.02 79.74 86.21 2 0 1000.00 -999 ? >GLU~B 229 19.61 82.66 84.46 21.45 83.71 84.56 20.53 83.19 84.51 2 0 1000.00 -999 ? >VAL~B 230 18.13 78.49 80.35 19.87 77.26 80.77 19.00 77.87 80.56 3 0 1000.00 -999 ? >ASN.B 231 13.85 77.93 79.68 13.46 80.00 79.55 13.66 78.96 79.61 2 0 1000.00 -999 ? >LEU~B 232 16.79 73.63 82.29 17.63 72.38 80.73 17.21 73.01 81.51 3 0 1000.00 -999 ? >LEU~B 233 13.69 75.52 86.62 14.87 75.73 88.40 14.28 75.62 87.51 3 0 1000.00 -999 ? >PRO~B 234 10.60 75.74 83.10 10.79 74.22 84.73 10.69 74.98 83.91 3 0 1000.00 -999 ? >LEU~B 235 12.04 70.91 81.38 12.26 69.35 79.88 12.15 70.13 80.63 3 0 1000.00 -999 ? >LEU~B 236 14.13 69.84 86.01 16.17 69.45 85.37 15.15 69.65 85.69 3 0 1000.00 -999 ? >GLU~B 237 9.53 72.31 89.23 11.43 73.15 89.63 10.48 72.73 89.43 2 0 1000.00 -999 ? >ARG~B 238 6.16 70.51 82.72 4.98 72.99 81.34 5.57 71.75 82.03 2 0 1000.00 -999 ? >MET~B 239 9.80 65.27 85.16 13.31 65.64 82.86 11.56 65.45 84.01 2 0 1000.00 -999 ? >VAL~B 240 9.96 64.82 88.96 11.70 65.96 89.69 10.83 65.39 89.33 3 0 1000.00 -999 ? >GLY.B 241 6.45 66.17 89.56 6.59 65.43 89.29 6.52 65.80 89.42 1 0 1000.00 -999 ?