REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-NOV-05 2F20 COMPND CONSERVED HYPOTHETICAL PROTEIN, WITH CONSERVED COMPND 3 DOMAIN; COMPND 4 CHAIN: A, B; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; SOURCE 3 ORGANISM_TAXID: 818; SOURCE 4 GENE: BT1218; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR S.M.VOROBIEV,M.ABASHIDZE,J.SEETHARAMAN,F.FOROUHAR,R.XIAO,L.- AUTHOR 2 C.MA,G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 3 GENOMICS CONSORTIUM (NESG) HET MSE A 7 8 HET MSE A 79 8 HET MSE A 99 8 HET MSE A 135 8 HET MSE A 175 8 HET MSE A 209 8 HET MSE B 7 8 HET MSE B 79 8 HET MSE B 99 8 HET MSE B 135 8 HET MSE B 175 8 HET MSE B 209 8 >CYH.A 2 41.20 20.12 66.62 43.88 20.43 67.40 42.54 20.27 67.01 2 0 1000.00 -999 ? >PHE.A 3 40.73 21.00 61.84 42.57 23.08 61.51 41.65 22.04 61.67 3 0 1000.00 -999 ? >HIS^A 4 37.91 15.74 62.27 38.10 16.10 60.21 38.01 15.92 61.24 3 0 1000.00 -999 ? >ASN^A 5 34.63 18.36 68.07 34.99 18.81 70.12 34.81 18.59 69.09 2 0 1000.00 -999 ? >SER^A 6 32.72 14.75 69.44 32.46 12.41 70.04 32.59 13.58 69.74 2 0 1000.00 -999 ? >MET?A 7 29.60 15.68 71.43 28.55 17.91 73.45 29.08 16.79 72.44 2 0 1000.00 -999 ? >SER^A 8 27.91 12.40 72.39 29.23 11.24 74.06 28.57 11.82 73.23 2 0 1000.00 -999 ? >ALA^A 9 25.59 13.90 75.04 26.16 14.62 76.27 25.88 14.26 75.65 2 0 1000.00 -999 ? >LYS^A 10 22.07 15.31 74.86 18.56 11.29 72.98 20.32 13.30 73.92 2 0 1000.00 -999 ? >ALA^A 11 21.93 19.10 74.65 21.06 19.89 73.66 21.49 19.50 74.15 2 0 1000.00 -999 ? >ILE^A 12 18.70 18.93 78.29 17.30 19.13 78.69 18.00 19.03 78.49 3 0 1000.00 -999 ? >LYS^A 13 22.82 17.38 79.56 20.62 13.25 81.43 21.72 15.31 80.50 2 0 1000.00 -999 ? >VAL^A 14 25.41 19.87 78.32 26.46 20.30 76.45 25.94 20.08 77.39 3 0 1000.00 -999 ? >ALA^A 15 23.42 22.70 79.93 21.96 23.04 79.61 22.69 22.87 79.77 2 0 1000.00 -999 ? >ALA^A 16 23.23 20.74 83.21 22.58 19.35 83.36 22.90 20.05 83.28 2 0 1000.00 -999 ? >ARG^A 17 29.96 18.74 83.01 32.54 20.41 83.02 31.25 19.58 83.02 2 0 1000.00 -999 ? >TYR^A 18 29.18 23.89 81.18 31.28 22.57 79.87 30.23 23.23 80.52 3 0 1000.00 -999 ? >GLY^A 19 24.79 24.68 85.55 24.90 24.92 84.79 24.84 24.80 85.17 1 0 1000.00 -999 ? >ARG^A 20 26.25 28.56 81.37 28.58 29.30 83.24 27.41 28.93 82.31 2 0 1000.00 -999 ? >GLN^A 21 18.87 29.21 82.55 17.75 31.01 82.43 18.31 30.11 82.49 2 0 1000.00 -999 ? >SER^A 22 18.84 24.89 78.34 17.31 23.33 79.36 18.07 24.11 78.85 2 0 1000.00 -999 ? >ASP^A 23 15.70 28.36 77.04 14.88 28.25 78.97 15.29 28.30 78.00 2 0 1000.00 -999 ? >VAL^A 24 18.32 27.80 73.53 19.52 29.53 73.00 18.92 28.67 73.26 3 0 1000.00 -999 ? >VAL^A 25 20.13 24.46 73.24 21.44 23.14 74.39 20.78 23.80 73.82 3 0 1000.00 -999 ? >GLU^A 26 14.41 22.47 74.56 14.00 20.44 74.20 14.21 21.45 74.38 2 0 1000.00 -999 ? >ILE^A 27 15.39 25.94 70.42 14.83 27.19 70.14 15.11 26.56 70.28 3 0 1000.00 -999 ? >TYR^A 28 18.97 25.32 67.68 18.21 27.90 66.87 18.59 26.61 67.27 3 0 1000.00 -999 ? >GLN^A 29 16.11 18.74 70.80 14.90 17.91 72.34 15.50 18.32 71.57 2 0 1000.00 -999 ? >SER^A 30 17.65 17.77 66.92 15.27 18.05 66.70 16.46 17.91 66.81 2 0 1000.00 -999 ? >ILE^A 31 20.84 20.35 64.46 21.31 20.40 63.81 21.07 20.37 64.13 3 0 1000.00 -999 ? >LEU^A 32 22.78 20.38 69.50 22.93 22.42 68.77 22.86 21.40 69.13 3 0 1000.00 -999 ? >ASP^A 33 20.68 15.41 70.61 19.51 16.50 72.00 20.09 15.96 71.31 2 0 1000.00 -999 ? >GLU^A 34 23.15 11.62 71.85 22.17 9.76 72.11 22.66 10.69 71.98 2 0 1000.00 -999 ? >GLN^A 35 25.69 16.42 66.86 24.70 15.58 65.18 25.20 16.00 66.02 2 0 1000.00 -999 ? >TYR^A 36 28.60 9.51 68.74 27.08 8.37 70.79 27.84 8.94 69.77 3 0 1000.00 -999 ? >HIS^A 37 32.81 13.08 62.85 34.12 13.84 61.39 33.47 13.46 62.12 3 0 1000.00 -999 ? >VAL^A 38 31.38 17.11 64.58 30.63 18.52 66.09 31.00 17.82 65.33 3 0 1000.00 -999 ? >ASN^A 39 32.86 17.43 60.04 34.48 17.36 58.67 33.67 17.40 59.35 2 0 1000.00 -999 ? >ALA^A 40 34.64 21.57 61.55 36.05 21.92 62.02 35.34 21.75 61.79 2 0 1000.00 -999 ? >PHE^A 41 37.01 21.00 57.25 39.67 21.18 58.14 38.34 21.09 57.70 3 0 1000.00 -999 ? >THR^A 42 30.89 21.86 57.67 30.19 19.99 58.53 30.54 20.93 58.10 2 0 1000.00 -999 ? >PHE^A 43 32.21 26.28 58.13 34.53 26.40 56.54 33.37 26.34 57.34 3 0 1000.00 -999 ? >PRO^A 44 29.87 21.94 62.98 28.92 23.56 61.81 29.39 22.75 62.40 3 0 1000.00 -999 ? >ARG^A 45 23.16 26.79 64.21 20.25 27.65 64.11 21.71 27.22 64.16 2 0 1000.00 -999 ? >TYR^A 46 29.62 22.63 68.92 30.84 20.56 70.37 30.23 21.60 69.65 3 0 1000.00 -999 ? >PRO^A 47 26.00 22.03 71.95 26.77 24.05 71.39 26.39 23.04 71.67 3 0 1000.00 -999 ? >ILE^A 48 29.19 28.22 72.47 30.67 28.07 72.21 29.93 28.15 72.34 3 0 1000.00 -999 ? >ILE^A 49 29.80 27.32 78.23 28.62 26.86 78.90 29.21 27.09 78.57 3 0 1000.00 -999 ? >THR^A 50 29.57 31.94 77.71 29.17 33.25 76.01 29.37 32.59 76.86 2 0 1000.00 -999 ? >SER^A 51 29.22 34.23 80.74 29.28 36.46 79.81 29.25 35.35 80.27 2 0 1000.00 -999 ? >SER^A 52 25.49 34.08 79.91 23.58 33.61 78.47 24.54 33.84 79.19 2 0 1000.00 -999 ? >ASP^A 53 22.08 32.49 83.01 22.87 33.68 84.58 22.47 33.08 83.79 2 0 1000.00 -999 ? >GLU^A 54 19.54 31.45 78.76 17.96 30.07 78.49 18.75 30.76 78.63 2 0 1000.00 -999 ? >VAL^A 55 23.93 27.85 76.89 24.40 25.71 77.01 24.16 26.78 76.95 3 0 1000.00 -999 ? >GLN^A 56 25.21 31.72 74.32 23.30 32.65 74.16 24.26 32.18 74.24 2 0 1000.00 -999 ? >VAL^A 57 24.49 27.99 69.94 22.93 26.58 69.35 23.71 27.29 69.65 3 0 1000.00 -999 ? >PHE^A 58 28.08 31.02 69.36 27.59 32.86 71.43 27.83 31.94 70.39 3 0 1000.00 -999 ? >ASN^A 59 28.34 28.85 62.95 26.33 28.42 62.38 27.34 28.63 62.67 2 0 1000.00 -999 ? >TRP^A 60 34.98 25.72 64.89 35.45 21.85 65.44 35.21 23.78 65.17 3 0 1000.00 -999 ? >GLY^A 61 34.60 29.03 62.26 34.15 29.42 62.91 34.38 29.23 62.58 1 0 1000.00 -999 ? >LEU^A 62 36.24 32.84 64.69 36.55 34.62 65.86 36.39 33.73 65.28 3 0 1000.00 -999 ? >ILE^A 63 32.94 35.53 60.65 32.16 35.39 59.41 32.55 35.46 60.03 3 0 1000.00 -999 ? >PRO^A 64 37.93 37.65 62.15 35.77 38.02 62.49 36.85 37.84 62.32 3 0 1000.00 -999 ? >PHE^A 65 34.77 43.19 65.14 37.06 44.66 65.80 35.91 43.92 65.47 3 0 1000.00 -999 ? >TRP^A 66 38.69 42.58 62.82 39.94 40.76 59.56 39.32 41.67 61.19 3 0 1000.00 -999 ? >VAL^A 67 35.28 41.65 57.93 35.37 39.53 57.44 35.33 40.59 57.68 3 0 1000.00 -999 ? >ARG^A 68 34.83 46.61 56.31 33.65 49.43 56.47 34.24 48.02 56.39 2 0 1000.00 -999 ? >SER^A 69 32.63 41.27 52.63 34.37 40.55 51.08 33.50 40.91 51.86 2 0 1000.00 -999 ? >GLU^A 70 28.75 36.39 52.80 26.69 36.27 52.36 27.72 36.33 52.58 2 0 1000.00 -999 ? >GLU^A 71 34.01 36.62 47.70 33.81 37.52 45.78 33.91 37.07 46.74 2 0 1000.00 -999 ? >ASP^A 72 36.60 38.53 52.66 37.34 39.57 50.99 36.97 39.05 51.82 2 0 1000.00 -999 ? >ALA^A 73 34.23 35.84 55.33 32.85 36.27 55.79 33.54 36.06 55.56 2 0 1000.00 -999 ? >THR^A 74 33.91 32.53 53.45 32.74 31.87 51.75 33.32 32.20 52.60 2 0 1000.00 -999 ? >GLU^A 75 38.07 32.87 50.71 37.82 30.89 49.98 37.95 31.88 50.35 2 0 1000.00 -999 ? >ILE^A 76 38.32 34.94 57.06 38.65 36.26 57.44 38.48 35.60 57.25 3 0 1000.00 -999 ? >ARG^A 77 32.47 30.82 58.32 31.64 29.11 55.91 32.05 29.96 57.11 2 0 1000.00 -999 ? >LYS^A 78 38.40 28.21 57.04 37.21 27.81 50.83 37.81 28.01 53.94 2 0 1000.00 -999 ? >MET?A 79 41.48 29.66 58.71 43.78 31.73 55.81 42.63 30.69 57.26 2 0 1000.00 -999 ? >THR^A 80 39.87 30.35 62.08 38.87 32.20 61.59 39.37 31.27 61.84 2 0 1000.00 -999 ? >LEU^A 81 38.37 25.72 62.20 36.80 25.40 60.74 37.59 25.56 61.47 3 0 1000.00 -999 ? >ASN^A 82 42.40 25.77 65.29 41.60 23.82 65.48 42.00 24.80 65.38 2 0 1000.00 -999 ? >ALA^A 83 43.39 29.70 67.13 42.51 30.75 67.81 42.95 30.22 67.47 2 0 1000.00 -999 ? >ARG^A 84 49.78 28.65 65.55 51.84 26.53 66.38 50.81 27.59 65.96 2 0 1000.00 -999 ? >ALA^A 85 47.51 30.22 71.90 47.65 29.24 73.06 47.58 29.73 72.48 2 0 1000.00 -999 ? >ASP^A 86 52.26 30.95 70.97 52.08 30.17 68.99 52.17 30.56 69.98 2 0 1000.00 -999 ? >THR^A 87 49.94 34.51 69.05 50.55 33.61 67.19 50.25 34.06 68.12 2 0 1000.00 -999 ? >ILE^A 88 45.49 33.90 70.90 44.50 33.49 71.66 44.99 33.70 71.28 3 0 1000.00 -999 ? >PHE^A 89 47.13 37.62 74.16 46.15 36.02 76.26 46.64 36.82 75.21 3 0 1000.00 -999 ? >GLU^A 90 50.80 39.05 69.43 52.51 37.80 69.15 51.66 38.43 69.29 2 0 1000.00 -999 ? >LYS^A 91 46.40 38.28 65.51 47.68 32.54 63.09 47.04 35.41 64.30 2 0 1000.00 -999 ? >PRO^A 92 45.42 41.51 62.80 44.32 40.30 64.31 44.87 40.90 63.55 3 0 1000.00 -999 ? >SER^A 93 41.18 37.89 63.95 41.74 36.80 61.84 41.46 37.35 62.89 2 0 1000.00 -999 ? >PHE^A 94 42.17 34.71 66.82 42.12 32.69 64.86 42.15 33.70 65.84 3 0 1000.00 -999 ? >ARG^A 95 44.56 42.91 67.59 45.26 44.99 65.43 44.91 43.95 66.51 2 0 1000.00 -999 ? >GLU^A 96 39.67 43.78 69.65 38.55 45.27 68.69 39.11 44.52 69.17 2 0 1000.00 -999 ? >PRO^A 97 37.39 38.19 69.08 38.16 38.82 71.06 37.77 38.50 70.07 3 0 1000.00 -999 ? >ILE^A 98 41.83 36.41 73.62 42.48 36.77 73.27 42.15 36.59 73.44 3 0 1000.00 -999 ? >MET?A 99 40.03 39.91 75.97 43.19 40.39 76.47 41.61 40.15 76.22 2 0 1000.00 -999 ? >LYS^A 100 36.27 40.40 75.62 35.94 45.43 78.04 36.10 42.91 76.83 2 0 1000.00 -999 ? >LYS^A 101 34.61 37.27 74.21 32.58 41.33 71.19 33.59 39.30 72.70 2 0 1000.00 -999 ? >ARG^A 102 39.19 34.32 77.93 37.76 36.04 80.05 38.48 35.18 78.99 2 0 1000.00 -999 ? >CYH^A 103 33.86 30.94 75.81 33.74 30.40 73.02 33.80 30.67 74.41 2 0 1000.00 -999 ? >ILE^A 104 33.52 26.71 77.97 33.75 26.12 79.25 33.64 26.42 78.61 3 0 1000.00 -999 ? >VAL^A 105 33.61 24.68 73.83 34.40 24.95 71.80 34.00 24.82 72.81 3 0 1000.00 -999 ? >PRO^A 106 30.09 22.33 74.89 32.30 22.21 75.22 31.20 22.27 75.06 3 0 1000.00 -999 ? >SER^A 107 33.47 18.18 74.29 35.44 17.25 73.19 34.46 17.71 73.74 2 0 1000.00 -999 ? >THR^A 108 33.24 14.45 74.96 31.85 12.97 74.23 32.55 13.71 74.60 2 0 1000.00 -999 ? >GLY^A 109 36.46 13.78 73.04 35.98 14.34 72.63 36.22 14.06 72.84 1 0 1000.00 -999 ? >TYR^A 110 40.17 15.93 70.23 42.74 16.05 71.29 41.46 15.99 70.76 3 0 1000.00 -999 ? >PHE^A 111 37.51 11.85 66.11 35.01 10.94 67.04 36.26 11.39 66.58 3 0 1000.00 -999 ? >GLU^A 112 43.94 14.78 67.10 44.79 16.46 66.10 44.36 15.62 66.60 2 0 1000.00 -999 ? >TRP^A 113 43.10 9.40 60.63 40.57 12.39 61.04 41.83 10.90 60.84 3 0 1000.00 -999 ? >ARG^A 114 51.13 7.14 65.47 53.53 5.27 65.75 52.33 6.20 65.61 2 0 1000.00 -999 ? >HIS^A 115 50.22 11.45 59.13 48.75 12.83 58.54 49.49 12.14 58.84 3 0 1000.00 -999 ? >GLU^A 116 52.13 4.88 60.88 51.97 3.98 62.80 52.05 4.43 61.84 2 0 1000.00 -999 ? >GLY^A 117 54.43 5.98 55.96 53.82 6.57 56.28 54.13 6.28 56.12 1 0 1000.00 -999 ? >ALA^A 118 51.29 6.43 53.90 51.13 5.78 52.52 51.21 6.11 53.21 2 0 1000.00 -999 ? >ASN^A 119 49.59 3.80 57.56 49.63 2.03 56.37 49.61 2.92 56.97 2 0 1000.00 -999 ? >LYS^A 120 46.80 7.33 58.61 47.83 11.28 55.31 47.32 9.31 56.96 2 0 1000.00 -999 ? >ILE^A 121 46.81 5.00 62.84 47.42 4.61 64.02 47.11 4.80 63.43 3 0 1000.00 -999 ? >PRO^A 122 41.47 5.68 62.61 43.18 6.96 63.24 42.32 6.32 62.92 3 0 1000.00 -999 ? >TYR^A 123 45.06 7.48 68.05 47.27 5.76 68.11 46.16 6.62 68.08 3 0 1000.00 -999 ? >TYR^A 124 37.53 8.58 70.82 35.54 9.69 72.44 36.54 9.13 71.63 3 0 1000.00 -999 ? >ILE^A 125 42.24 12.20 72.06 43.51 12.65 71.80 42.87 12.42 71.93 3 0 1000.00 -999 ? >TYR^A 126 38.63 9.53 76.30 39.42 6.94 77.03 39.02 8.24 76.66 3 0 1000.00 -999 ? >VAL^A 127 39.78 12.98 79.35 39.90 15.05 80.03 39.84 14.01 79.69 3 0 1000.00 -999 ? >LYS^A 128 39.77 10.29 82.05 45.33 7.38 82.86 42.55 8.83 82.46 2 0 1000.00 -999 ? >ASP^A 129 37.28 10.09 85.69 38.32 8.25 85.80 37.80 9.17 85.74 2 0 1000.00 -999 ? >GLU^A 130 36.03 15.95 83.37 37.33 17.57 82.96 36.68 16.76 83.17 2 0 1000.00 -999 ? >PRO^A 131 31.48 11.66 82.36 32.90 12.73 81.02 32.19 12.20 81.69 3 0 1000.00 -999 ? >ILE^A 132 30.84 16.92 79.35 29.58 17.40 78.83 30.21 17.16 79.09 3 0 1000.00 -999 ? >PHE^A 133 37.06 17.25 77.82 37.92 16.44 75.26 37.49 16.85 76.54 3 0 1000.00 -999 ? >SER^A 134 35.92 21.97 78.44 34.36 22.70 80.15 35.14 22.33 79.29 2 0 1000.00 -999 ? >MET?A 135 38.04 23.38 75.61 37.89 20.74 72.28 37.96 22.06 73.94 2 0 1000.00 -999 ? >ALA^A 136 39.00 27.05 75.73 40.32 27.61 76.21 39.66 27.33 75.97 2 0 1000.00 -999 ? >GLY^A 137 37.45 29.09 72.95 37.50 29.56 73.63 37.48 29.32 73.29 1 0 1000.00 -999 ? >ILE^A 138 37.87 33.41 71.23 39.24 33.59 70.93 38.56 33.50 71.08 3 0 1000.00 -999 ? >TYR^A 139 31.81 34.33 71.42 30.78 35.90 73.50 31.30 35.12 72.46 3 0 1000.00 -999 ? >ASP^A 140 33.89 37.31 66.76 34.33 39.41 66.71 34.11 38.36 66.73 2 0 1000.00 -999 ? >ARG^A 141 29.67 41.68 67.27 30.16 43.24 69.90 29.92 42.46 68.58 2 0 1000.00 -999 ? >TRP^A 142 31.49 40.58 59.88 29.76 38.52 57.00 30.62 39.55 58.44 3 0 1000.00 -999 ? >LEU^A 143 26.67 43.12 61.06 24.78 44.04 60.55 25.72 43.58 60.81 3 0 1000.00 -999 ? >ASP^A 144 26.31 39.76 56.25 26.79 39.55 54.21 26.55 39.66 55.23 2 0 1000.00 -999 ? >LYS^A 145 26.69 44.47 55.33 28.82 49.49 55.01 27.76 46.98 55.17 2 0 1000.00 -999 ? >ASP^A 146 25.89 42.60 50.98 27.63 43.71 50.59 26.76 43.16 50.79 2 0 1000.00 -999 ? >THR^A 147 22.78 40.65 53.82 23.13 38.50 53.73 22.95 39.57 53.77 2 0 1000.00 -999 ? >GLY^A 148 21.86 42.31 57.09 22.20 41.52 57.02 22.03 41.92 57.05 1 0 1000.00 -999 ? >GLU^A 149 22.26 36.28 58.52 22.45 34.54 57.31 22.35 35.41 57.92 2 0 1000.00 -999 ? >GLU^A 150 24.18 39.60 64.47 25.33 41.36 64.21 24.76 40.48 64.34 2 0 1000.00 -999 ? >HIS^A 151 26.71 35.26 60.13 25.77 35.25 58.26 26.24 35.26 59.20 3 0 1000.00 -999 ? >GLU^A 152 26.72 35.76 67.73 25.81 35.64 69.64 26.26 35.70 68.68 2 0 1000.00 -999 ? >THR^A 153 30.85 32.19 65.50 31.36 32.96 63.56 31.11 32.58 64.53 2 0 1000.00 -999 ? >PHE^A 154 32.76 28.36 68.35 32.14 25.66 67.81 32.45 27.01 68.08 3 0 1000.00 -999 ? >SER^A 155 37.10 29.18 67.39 39.32 29.54 66.48 38.21 29.36 66.93 2 0 1000.00 -999 ? >ILE^A 156 38.70 25.00 69.26 38.23 23.67 69.69 38.47 24.34 69.47 3 0 1000.00 -999 ? >ILE^A 157 42.27 28.46 72.26 42.55 29.73 72.92 42.41 29.09 72.59 3 0 1000.00 -999 ? >THR^A 158 45.10 25.25 70.55 45.16 25.04 68.42 45.13 25.15 69.48 2 0 1000.00 -999 ? >THR^A 159 48.35 24.70 72.40 48.47 23.96 74.44 48.41 24.33 73.42 2 0 1000.00 -999 ? >ASP^A 160 52.84 22.94 72.99 53.35 25.00 72.88 53.09 23.97 72.93 2 0 1000.00 -999 ? >THR^A 161 51.09 18.87 72.74 51.73 17.98 70.88 51.41 18.43 71.81 2 0 1000.00 -999 ? >ASN^A 162 50.83 16.61 76.87 49.11 15.48 76.29 49.97 16.04 76.58 2 0 1000.00 -999 ? >SER^A 163 53.26 13.12 75.87 54.27 12.95 78.07 53.76 13.04 76.97 2 0 1000.00 -999 ? >LEU^A 164 48.76 11.40 75.41 47.23 9.92 75.04 47.99 10.66 75.23 3 0 1000.00 -999 ? >THR^A 165 48.95 14.08 71.99 48.05 15.74 73.02 48.50 14.91 72.51 2 0 1000.00 -999 ? >ASP^A 166 53.73 14.79 71.44 55.19 15.71 70.26 54.46 15.25 70.85 2 0 1000.00 -999 ? >TYR^A 167 52.72 8.23 70.08 52.99 5.71 68.89 52.86 6.97 69.48 3 0 1000.00 -999 ? >ILE^A 168 47.85 11.03 68.83 46.64 10.52 69.34 47.24 10.78 69.09 3 0 1000.00 -999 ? >ASP^A 169 48.81 15.61 66.81 48.70 17.07 65.30 48.75 16.34 66.06 2 0 1000.00 -999 ? >ASN^A 170 53.59 12.26 64.95 52.89 11.06 63.34 53.24 11.66 64.15 2 0 1000.00 -999 ? >THR^A 171 52.65 15.98 61.99 51.32 14.81 60.78 51.98 15.39 61.39 2 0 1000.00 -999 ? >LYS^A 172 51.13 19.22 63.35 49.77 18.94 58.77 50.45 19.08 61.06 2 0 1000.00 -999 ? >HIS^A 173 54.40 18.23 66.47 55.68 16.74 65.74 55.04 17.48 66.11 3 0 1000.00 -999 ? >ARG^A 174 48.90 23.80 66.98 50.06 25.45 69.27 49.48 24.63 68.12 2 0 1000.00 -999 ? >MET?A 175 46.13 19.79 70.77 47.64 18.86 74.69 46.89 19.33 72.73 2 0 1000.00 -999 ? >PRO^A 176 41.95 19.74 72.03 43.58 21.24 71.69 42.77 20.49 71.86 3 0 1000.00 -999 ? >ALA^A 177 43.59 24.02 75.00 43.66 25.55 74.98 43.63 24.79 74.99 2 0 1000.00 -999 ? >ILE^A 178 41.91 20.48 77.77 41.44 19.12 77.56 41.68 19.80 77.66 3 0 1000.00 -999 ? >LEU^A 179 39.55 24.82 80.84 39.51 26.88 80.19 39.53 25.85 80.51 3 0 1000.00 -999 ? >THR^A 180 40.42 21.80 84.08 42.14 22.22 85.31 41.28 22.01 84.69 2 0 1000.00 -999 ? >GLN^A 181 35.94 19.56 85.51 35.42 17.76 86.51 35.68 18.66 86.01 2 0 1000.00 -999 ? >GLU^A 182 39.08 22.63 90.39 39.76 20.73 89.69 39.42 21.68 90.04 2 0 1000.00 -999 ? >GLU^A 183 41.70 26.03 85.80 43.20 25.22 84.53 42.45 25.62 85.16 2 0 1000.00 -999 ? >GLU^A 184 35.36 24.55 83.21 34.23 22.78 83.48 34.79 23.67 83.34 2 0 1000.00 -999 ? >GLU^A 185 32.19 29.03 86.81 30.99 29.52 85.11 31.59 29.27 85.96 2 0 1000.00 -999 ? >LYS^A 186 37.60 31.67 86.14 43.78 31.69 87.63 40.69 31.68 86.88 2 0 1000.00 -999 ? >TRP^A 187 37.08 30.23 79.24 40.52 31.16 77.57 38.80 30.69 78.41 3 0 1000.00 -999 ? >LEU^A 188 33.58 32.48 81.89 32.90 30.93 80.50 33.24 31.71 81.20 3 0 1000.00 -999 ? >ASN^A 189 36.50 35.96 85.56 36.24 37.51 87.00 36.37 36.74 86.28 2 0 1000.00 -999 ? >PRO^A 190 33.29 39.33 82.59 35.45 38.87 82.82 34.37 39.10 82.70 3 0 1000.00 -999 ? >SER^A 191 38.29 40.77 84.83 36.81 41.49 86.61 37.55 41.13 85.72 2 0 1000.00 -999 ? >LEU^A 192 40.95 37.08 83.01 40.48 35.18 83.92 40.71 36.13 83.47 3 0 1000.00 -999 ? >SER^A 193 44.25 40.22 82.65 46.06 39.64 84.16 45.15 39.93 83.41 2 0 1000.00 -999 ? >LYS^A 194 46.38 39.22 79.68 50.80 38.92 76.58 48.59 39.07 78.13 2 0 1000.00 -999 ? >ALA^A 195 48.78 37.25 81.86 49.62 37.83 82.99 49.20 37.54 82.42 2 0 1000.00 -999 ? >GLU^A 196 45.37 36.98 85.57 43.78 37.80 86.70 44.57 37.39 86.13 2 0 1000.00 -999 ? >ILE^A 197 43.85 35.42 79.27 42.89 36.09 78.51 43.37 35.76 78.89 3 0 1000.00 -999 ? >ALA^A 198 47.61 33.21 78.88 48.86 34.08 78.66 48.24 33.65 78.77 2 0 1000.00 -999 ? >SER^A 199 48.28 31.27 82.06 48.60 30.94 84.44 48.44 31.11 83.25 2 0 1000.00 -999 ? >LEU^A 200 43.71 29.78 81.70 42.76 30.22 83.59 43.24 30.00 82.64 3 0 1000.00 -999 ? >LEU^A 201 46.12 29.04 76.87 44.38 30.11 76.14 45.25 29.58 76.51 3 0 1000.00 -999 ? >LYS^A 202 48.63 25.19 78.47 52.71 27.38 81.33 50.67 26.29 79.90 2 0 1000.00 -999 ? >PRO^A 203 51.10 22.25 76.57 49.15 22.23 77.64 50.13 22.24 77.10 3 0 1000.00 -999 ? >PHE^A 204 44.44 18.49 80.14 42.41 18.25 82.05 43.43 18.37 81.09 3 0 1000.00 -999 ? >ASP^A 205 48.04 16.72 83.50 49.17 15.21 84.49 48.60 15.96 83.99 2 0 1000.00 -999 ? >THR^A 206 49.11 13.78 79.92 50.91 12.66 79.51 50.01 13.22 79.71 2 0 1000.00 -999 ? >GLU^A 207 50.36 11.72 84.34 51.34 10.15 83.33 50.85 10.94 83.84 2 0 1000.00 -999 ? >LYS^A 208 44.64 12.78 82.91 44.90 18.34 85.95 44.77 15.56 84.43 2 0 1000.00 -999 ? >MET?A 209 44.04 11.83 79.29 44.96 15.35 77.23 44.50 13.59 78.26 2 0 1000.00 -999 ? >ASP^A 210 43.05 7.59 78.02 44.02 5.68 77.89 43.53 6.64 77.96 2 0 1000.00 -999 ? >ALA^A 211 43.05 7.48 73.69 43.84 8.43 72.81 43.45 7.95 73.25 2 0 1000.00 -999 ? >TYR^A 212 40.26 3.73 72.11 37.54 4.38 72.09 38.90 4.05 72.10 3 0 1000.00 -999 ? >VAL^A 213 42.72 3.54 67.81 44.36 2.72 66.66 43.54 3.13 67.24 3 0 1000.00 -999 ? >ILE^A 214 38.38 4.76 66.28 38.12 6.15 66.65 38.25 5.46 66.46 3 0 1000.00 -999 ? >ARG^A 215 35.33 -0.03 63.32 33.70 -2.44 64.29 34.52 -1.24 63.80 2 0 1000.00 -999 ? >ASN^A 216 39.96 4.19 58.48 41.99 4.55 59.03 40.98 4.37 58.75 2 0 1000.00 -999 ? >ASP^A 217 34.69 2.94 58.02 33.95 1.98 59.76 34.32 2.46 58.89 2 0 1000.00 -999 ? >PHE^A 218 35.62 8.03 62.38 37.34 10.26 62.38 36.48 9.15 62.38 3 0 1000.00 -999 ? >LEU^A 219 35.64 9.65 57.91 37.08 11.21 58.33 36.36 10.43 58.12 3 0 1000.00 -999 ? >LYS^A 220 31.71 7.70 56.52 33.39 3.05 53.32 32.55 5.37 54.92 2 0 1000.00 -999 ? >LYS^A 221 29.03 7.32 59.22 31.26 2.43 62.60 30.14 4.88 60.91 2 0 1000.00 -999 ? >SER^A 222 26.11 9.60 60.08 24.10 8.55 59.20 25.10 9.07 59.64 2 0 1000.00 -999 ? >PRO^A 223 27.03 13.74 61.03 26.98 11.80 62.13 27.01 12.77 61.58 3 0 1000.00 -999 ? >ASN^A 224 23.39 11.06 65.36 22.13 10.05 63.99 22.76 10.55 64.67 2 0 1000.00 -999 ? >ASP^A 225 26.70 6.49 63.61 26.65 4.38 63.57 26.67 5.43 63.59 2 0 1000.00 -999 ? >PRO^A 226 25.02 5.68 68.84 26.91 6.00 67.70 25.97 5.84 68.27 3 0 1000.00 -999 ? >THR^A 227 29.66 3.30 66.62 28.53 2.05 65.25 29.09 2.67 65.93 2 0 1000.00 -999 ? >ILE^A 228 31.37 7.69 65.31 31.28 8.96 64.67 31.32 8.32 64.99 3 0 1000.00 -999 ? >VAL^A 229 33.83 5.66 68.57 32.76 6.81 70.07 33.30 6.23 69.32 3 0 1000.00 -999 ? >GLN^A 230 33.58 -0.50 67.45 33.12 -1.33 69.36 33.35 -0.92 68.40 2 0 1000.00 -999 ? >ARG^A 231 37.72 -2.20 71.34 34.73 -2.33 72.13 36.23 -2.27 71.74 2 0 1000.00 -999 ? >ALA^A 232 39.44 -0.79 65.62 40.92 -0.65 65.32 40.18 -0.72 65.47 2 0 1000.00 -999 ? >LEU^A 233 37.04 -4.44 63.40 35.98 -6.36 63.32 36.51 -5.40 63.36 3 0 1000.00 -999 ? >CYH^B 2 61.21 36.54 61.26 61.14 33.77 61.72 61.18 35.15 61.49 2 0 1000.00 -999 ? >PHE^B 3 57.53 39.37 62.23 55.51 37.44 62.45 56.52 38.41 62.34 3 0 1000.00 -999 ? >HIS^B 4 62.38 42.93 63.13 60.84 43.99 64.08 61.61 43.46 63.60 3 0 1000.00 -999 ? >ASN^B 5 64.61 40.68 56.63 65.69 39.24 55.47 65.15 39.96 56.05 2 0 1000.00 -999 ? >SER^B 6 68.64 42.37 56.90 70.83 42.92 57.82 69.73 42.65 57.36 2 0 1000.00 -999 ? >MET?B 7 69.90 43.22 53.41 70.12 42.52 50.28 70.01 42.87 51.84 2 0 1000.00 -999 ? >SER^B 8 73.31 44.88 53.67 74.87 43.12 54.32 74.09 44.00 53.99 2 0 1000.00 -999 ? >ALA^B 9 74.02 44.39 49.95 74.11 43.00 49.33 74.06 43.70 49.64 2 0 1000.00 -999 ? >LYS^B 10 73.14 46.57 46.96 75.44 51.36 46.90 74.29 48.96 46.93 2 0 1000.00 -999 ? >ALA^B 11 70.32 45.47 44.68 69.20 46.36 44.15 69.76 45.92 44.41 2 0 1000.00 -999 ? >ILE^B 12 73.64 46.13 41.19 74.03 47.13 40.28 73.83 46.63 40.73 3 0 1000.00 -999 ? >LYS^B 13 74.80 42.64 43.78 79.56 41.32 45.35 77.18 41.98 44.56 2 0 1000.00 -999 ? >VAL^B 14 71.68 40.66 44.71 69.93 40.94 45.98 70.81 40.80 45.35 3 0 1000.00 -999 ? >ALA^B 15 70.95 40.27 41.02 70.78 41.43 40.03 70.87 40.85 40.52 2 0 1000.00 -999 ? >ALA^B 16 74.47 39.03 40.32 75.74 39.84 40.51 75.10 39.43 40.41 2 0 1000.00 -999 ? >ARG^B 17 74.51 35.06 45.96 72.89 32.52 46.62 73.70 33.79 46.29 2 0 1000.00 -999 ? >TYR^B 18 69.71 35.08 43.57 69.48 34.68 46.35 69.60 34.88 44.96 3 0 1000.00 -999 ? >GLY^B 19 72.42 35.41 37.98 71.77 35.72 38.34 72.09 35.56 38.16 1 0 1000.00 -999 ? >ARG^B 20 67.55 35.58 38.61 66.59 32.76 39.12 67.07 34.17 38.86 2 0 1000.00 -999 ? >GLN^B 21 68.64 40.22 33.23 70.72 39.94 32.88 69.68 40.08 33.06 2 0 1000.00 -999 ? >SER^B 22 68.73 44.29 37.64 70.81 45.51 37.33 69.77 44.90 37.49 2 0 1000.00 -999 ? >ASP^B 23 65.94 45.66 33.90 67.46 45.19 32.49 66.70 45.42 33.19 2 0 1000.00 -999 ? >VAL^B 24 63.47 46.18 37.51 61.78 44.80 37.59 62.63 45.49 37.55 3 0 1000.00 -999 ? >VAL^B 25 65.36 46.80 40.77 66.52 45.02 41.27 65.94 45.91 41.02 3 0 1000.00 -999 ? >GLU^B 26 69.37 48.92 37.82 70.25 48.89 35.89 69.81 48.90 36.85 2 0 1000.00 -999 ? >ILE^B 27 62.86 51.32 39.00 61.85 51.31 37.99 62.36 51.32 38.49 3 0 1000.00 -999 ? >TYR^B 28 61.63 50.30 43.18 59.22 50.18 41.76 60.42 50.24 42.47 3 0 1000.00 -999 ? >GLN^B 29 69.04 51.57 41.83 70.27 49.86 42.10 69.65 50.72 41.97 2 0 1000.00 -999 ? >SER^B 30 67.64 54.08 46.87 67.74 56.24 45.76 67.69 55.16 46.31 2 0 1000.00 -999 ? >ILE^B 31 63.78 52.42 49.15 62.61 53.04 48.66 63.19 52.73 48.90 3 0 1000.00 -999 ? >LEU^B 32 66.04 47.91 47.04 64.06 47.91 46.19 65.05 47.91 46.61 3 0 1000.00 -999 ? >ASP^B 33 71.00 49.76 47.74 70.85 49.19 45.70 70.92 49.47 46.72 2 0 1000.00 -999 ? >GLU^B 34 73.96 49.35 50.65 75.31 50.96 50.35 74.63 50.15 50.50 2 0 1000.00 -999 ? >GLN^B 35 67.14 48.79 52.72 66.90 50.82 53.32 67.02 49.81 53.02 2 0 1000.00 -999 ? >TYR^B 36 72.88 47.75 57.57 75.14 48.28 56.01 74.01 48.01 56.79 3 0 1000.00 -999 ? >HIS^B 37 65.74 47.05 61.14 63.92 46.92 62.19 64.83 46.99 61.67 3 0 1000.00 -999 ? >VAL^B 38 63.99 45.84 57.14 64.01 45.17 55.07 64.00 45.50 56.11 3 0 1000.00 -999 ? >ASN^B 39 60.59 47.29 60.21 59.27 46.94 61.85 59.93 47.12 61.03 2 0 1000.00 -999 ? >ALA^B 40 58.15 43.74 58.14 57.95 42.29 58.57 58.05 43.01 58.35 2 0 1000.00 -999 ? >PHE^B 41 55.56 44.90 62.22 55.67 42.50 63.66 55.61 43.70 62.94 3 0 1000.00 -999 ? >THR^B 42 56.06 48.69 57.38 58.12 49.37 57.60 57.09 49.03 57.49 2 0 1000.00 -999 ? >PHE^B 43 52.76 46.18 55.40 51.09 45.48 57.55 51.93 45.83 56.47 3 0 1000.00 -999 ? >PRO^B 44 59.52 46.11 54.21 57.84 47.11 53.16 58.68 46.61 53.68 3 0 1000.00 -999 ? >ARG^B 45 58.73 49.39 46.24 57.75 52.25 46.70 58.24 50.82 46.47 2 0 1000.00 -999 ? >TYR^B 46 62.82 42.52 50.63 65.07 41.53 51.95 63.95 42.03 51.29 3 0 1000.00 -999 ? >PRO^B 47 65.89 42.80 47.24 63.74 42.80 46.61 64.81 42.80 46.93 3 0 1000.00 -999 ? >ILE^B 48 61.01 38.88 45.40 60.72 38.11 46.67 60.86 38.49 46.04 3 0 1000.00 -999 ? >ILE^B 49 65.24 35.51 43.29 65.96 35.96 43.25 65.60 35.74 43.27 3 0 1000.00 -999 ? >THR^B 50 61.29 34.32 41.00 59.93 35.94 40.47 60.61 35.13 40.73 2 0 1000.00 -999 ? >SER^B 51 61.53 32.12 37.89 59.24 31.76 37.14 60.39 31.94 37.51 2 0 1000.00 -999 ? >SER^B 52 61.80 35.41 35.96 61.48 37.80 35.60 61.64 36.60 35.78 2 0 1000.00 -999 ? >ASP^B 53 65.66 36.43 33.15 64.55 37.81 31.97 65.10 37.12 32.56 2 0 1000.00 -999 ? >GLU^B 54 63.99 41.15 34.16 65.26 42.82 33.88 64.62 41.99 34.02 2 0 1000.00 -999 ? >VAL^B 55 64.90 40.39 39.99 66.50 40.61 41.48 65.70 40.50 40.74 3 0 1000.00 -999 ? >GLN^B 56 60.11 39.60 40.07 59.67 40.75 38.33 59.89 40.17 39.20 2 0 1000.00 -999 ? >VAL^B 57 60.35 44.03 43.74 61.31 45.99 43.76 60.83 45.01 43.75 3 0 1000.00 -999 ? >PHE^B 58 57.08 40.75 44.64 57.14 39.22 42.29 57.11 39.99 43.47 3 0 1000.00 -999 ? >ASN^B 59 54.74 45.22 49.29 55.10 47.14 48.48 54.92 46.18 48.89 2 0 1000.00 -999 ? >TRP^B 60 57.06 40.10 54.35 60.20 40.75 56.66 58.63 40.43 55.51 3 0 1000.00 -999 ? >GLY^B 61 52.81 41.13 53.49 53.03 40.89 52.67 52.92 41.01 53.08 1 0 1000.00 -999 ? >LEU^B 62 51.24 37.24 51.13 50.52 35.71 49.79 50.88 36.48 50.46 3 0 1000.00 -999 ? >ILE^B 63 47.27 41.18 49.45 46.73 42.52 49.60 47.00 41.85 49.53 3 0 1000.00 -999 ? >PRO^B 64 45.49 36.03 50.81 46.01 37.21 48.99 45.75 36.62 49.90 3 0 1000.00 -999 ? >PHE^B 65 44.27 34.70 43.99 43.57 32.08 44.60 43.92 33.39 44.30 3 0 1000.00 -999 ? >TRP^B 66 42.31 33.48 47.88 41.33 34.95 51.40 41.82 34.21 49.64 3 0 1000.00 -999 ? >VAL^B 67 40.57 39.16 48.69 41.79 40.08 50.23 41.18 39.62 49.46 3 0 1000.00 -999 ? >ARG^B 68 34.45 41.13 46.18 32.34 42.05 44.15 33.40 41.59 45.16 2 0 1000.00 -999 ? >SER^B 69 37.66 44.01 50.06 35.56 43.40 51.10 36.61 43.71 50.58 2 0 1000.00 -999 ? >GLU^B 70 38.94 48.95 50.60 36.99 48.12 50.38 37.97 48.54 50.49 2 0 1000.00 -999 ? >GLU^B 71 38.42 48.14 55.90 38.73 50.15 55.30 38.57 49.14 55.60 2 0 1000.00 -999 ? >ASP^B 72 39.23 42.03 53.92 37.23 42.10 54.62 38.23 42.07 54.27 2 0 1000.00 -999 ? >ALA^B 73 43.34 43.26 52.51 43.51 43.96 51.17 43.43 43.61 51.84 2 0 1000.00 -999 ? >THR^B 74 44.72 45.65 55.13 44.42 47.75 55.53 44.57 46.70 55.33 2 0 1000.00 -999 ? >GLU^B 75 41.76 44.09 59.08 42.83 45.19 60.53 42.30 44.64 59.81 2 0 1000.00 -999 ? >ILE^B 76 44.34 39.48 54.99 43.56 38.52 54.30 43.95 39.00 54.64 3 0 1000.00 -999 ? >ARG^B 77 48.91 44.88 53.79 48.53 47.42 55.50 48.72 46.15 54.65 2 0 1000.00 -999 ? >LYS^B 78 49.20 41.80 58.96 45.87 46.69 61.38 47.53 44.25 60.17 2 0 1000.00 -999 ? >MET?B 79 48.85 38.02 59.33 45.00 37.47 61.04 46.92 37.74 60.19 2 0 1000.00 -999 ? >THR^B 80 50.79 36.90 56.23 49.27 37.30 54.74 50.03 37.10 55.48 2 0 1000.00 -999 ? >LEU^B 81 54.66 39.31 57.93 54.30 41.45 58.01 54.48 40.38 57.97 3 0 1000.00 -999 ? >ASN^B 82 55.70 34.55 59.07 57.54 35.50 59.57 56.62 35.03 59.32 2 0 1000.00 -999 ? >ALA^B 83 53.71 31.49 56.50 53.55 31.40 54.99 53.63 31.45 55.74 2 0 1000.00 -999 ? >ARG^B 84 52.09 28.69 61.97 53.75 26.84 63.75 52.92 27.77 62.86 2 0 1000.00 -999 ? >ALA^B 85 55.39 25.44 56.52 56.85 24.94 56.54 56.12 25.19 56.53 2 0 1000.00 -999 ? >ASP^B 86 53.35 22.35 59.74 52.86 23.98 61.01 53.10 23.16 60.38 2 0 1000.00 -999 ? >THR^B 87 49.96 24.12 57.19 49.31 25.01 59.05 49.63 24.56 58.12 2 0 1000.00 -999 ? >ILE^B 88 52.51 26.15 53.57 53.52 26.41 52.65 53.01 26.28 53.11 3 0 1000.00 -999 ? >PHE^B 89 51.24 21.85 51.03 53.93 21.60 50.28 52.58 21.72 50.65 3 0 1000.00 -999 ? >GLU^B 90 46.07 21.53 54.48 47.27 20.98 56.12 46.67 21.25 55.30 2 0 1000.00 -999 ? >LYS^B 91 45.68 27.44 54.35 47.63 28.69 59.43 46.66 28.07 56.89 2 0 1000.00 -999 ? >PRO^B 92 41.70 28.83 53.25 43.76 29.08 52.46 42.73 28.95 52.85 3 0 1000.00 -999 ? >SER^B 93 45.94 32.38 51.85 45.33 33.70 53.82 45.63 33.04 52.83 2 0 1000.00 -999 ? >PHE^B 94 50.00 30.89 52.89 50.32 32.77 54.95 50.16 31.83 53.92 3 0 1000.00 -999 ? >ARG^B 95 43.73 26.24 48.92 42.86 23.41 48.06 43.29 24.83 48.49 2 0 1000.00 -999 ? >GLU^B 96 46.62 29.22 43.33 48.07 30.45 42.41 47.35 29.84 42.87 2 0 1000.00 -999 ? >PRO^B 97 49.62 32.00 46.76 50.26 30.08 45.83 49.94 31.04 46.30 3 0 1000.00 -999 ? >ILE^B 98 52.44 26.57 48.58 52.99 26.02 48.88 52.72 26.30 48.73 3 0 1000.00 -999 ? >MET?B 99 52.09 25.34 44.21 51.46 22.53 45.69 51.77 23.93 44.95 2 0 1000.00 -999 ? >LYS^B 100 52.42 28.01 41.52 51.51 26.01 37.04 51.96 27.01 39.28 2 0 1000.00 -999 ? >LYS^B 101 54.09 31.13 42.93 48.78 34.35 41.82 51.44 32.74 42.37 2 0 1000.00 -999 ? >ARG^B 102 57.74 26.35 45.28 57.13 24.63 42.84 57.43 25.49 44.06 2 0 1000.00 -999 ? >CYH^B 103 60.04 32.66 45.26 58.78 34.58 46.80 59.41 33.62 46.03 2 0 1000.00 -999 ? >ILE^B 104 64.60 33.01 46.39 65.82 32.27 46.29 65.21 32.64 46.34 3 0 1000.00 -999 ? >VAL^B 105 63.62 36.16 49.64 62.04 36.79 51.00 62.83 36.47 50.32 3 0 1000.00 -999 ? >PRO^B 106 66.82 38.78 48.22 66.62 37.03 49.57 66.72 37.90 48.90 3 0 1000.00 -999 ? >SER^B 107 68.80 37.87 53.11 68.51 37.39 55.48 68.66 37.63 54.30 2 0 1000.00 -999 ? >THR^B 108 72.08 38.88 54.65 73.08 40.81 54.80 72.58 39.85 54.72 2 0 1000.00 -999 ? >GLY^B 109 70.82 37.84 58.10 70.24 38.27 57.67 70.53 38.06 57.88 1 0 1000.00 -999 ? >TYR^B 110 66.67 36.23 60.78 66.55 33.68 61.94 66.61 34.95 61.36 3 0 1000.00 -999 ? >PHE^B 111 67.76 41.96 63.38 69.57 43.54 61.92 68.66 42.75 62.65 3 0 1000.00 -999 ? >GLU^B 112 64.66 35.84 65.33 62.56 35.60 65.33 63.61 35.72 65.33 2 0 1000.00 -999 ? >TRP^B 113 64.92 41.86 71.05 63.25 42.69 67.60 64.09 42.28 69.32 3 0 1000.00 -999 ? >ARG^B 114 66.44 34.17 75.58 68.56 32.27 76.68 67.50 33.22 76.13 2 0 1000.00 -999 ? >HIS^B 115 61.06 37.26 75.36 59.94 38.43 74.03 60.50 37.84 74.70 3 0 1000.00 -999 ? >GLU^B 116 67.14 35.44 79.18 69.19 35.85 79.44 68.16 35.64 79.31 2 0 1000.00 -999 ? >GLY^B 117 61.89 36.95 82.09 62.12 37.29 81.31 62.01 37.12 81.70 1 0 1000.00 -999 ? >ALA^B 118 61.79 40.75 81.65 61.90 41.59 82.92 61.84 41.17 82.28 2 0 1000.00 -999 ? >ASN^B 119 65.83 42.00 79.61 65.85 42.63 81.65 65.84 42.32 80.63 2 0 1000.00 -999 ? >LYS^B 120 64.54 41.01 75.41 58.52 42.71 74.23 61.53 41.86 74.82 2 0 1000.00 -999 ? >ILE^B 121 68.98 39.23 74.80 70.08 38.87 75.68 69.53 39.05 75.24 3 0 1000.00 -999 ? >PRO^B 122 69.18 43.20 71.10 68.34 41.14 71.18 68.76 42.17 71.14 3 0 1000.00 -999 ? >TYR^B 123 70.64 36.69 69.83 71.56 35.62 72.26 71.10 36.15 71.05 3 0 1000.00 -999 ? >TYR^B 124 73.17 39.99 62.96 73.96 39.90 60.27 73.56 39.94 61.61 3 0 1000.00 -999 ? >ILE^B 125 70.22 34.75 63.33 69.39 33.91 64.01 69.80 34.33 63.67 3 0 1000.00 -999 ? >TYR^B 126 75.62 35.60 60.45 77.94 35.24 62.00 76.78 35.42 61.23 3 0 1000.00 -999 ? >VAL^B 127 74.76 31.90 57.68 73.70 30.72 56.18 74.23 31.31 56.93 3 0 1000.00 -999 ? >LYS^B 128 78.51 31.41 58.01 81.98 31.05 61.37 80.24 31.23 59.69 2 0 1000.00 -999 ? >ASP^B 129 81.29 30.73 54.71 82.55 30.54 56.40 81.92 30.64 55.56 2 0 1000.00 -999 ? >GLU^B 130 75.79 31.34 51.32 73.90 30.36 51.26 74.84 30.85 51.29 2 0 1000.00 -999 ? >PRO^B 131 79.17 36.56 51.50 77.26 35.94 52.43 78.21 36.25 51.97 3 0 1000.00 -999 ? >ILE^B 132 73.47 37.13 49.46 73.11 38.18 48.63 73.29 37.65 49.04 3 0 1000.00 -999 ? >PHE^B 133 71.11 33.38 54.05 70.06 34.67 56.29 70.58 34.03 55.17 3 0 1000.00 -999 ? >SER^B 134 68.07 32.30 50.40 68.85 31.89 48.13 68.46 32.09 49.26 2 0 1000.00 -999 ? >MET?B 135 64.85 32.13 52.42 64.78 35.05 55.46 64.81 33.59 53.94 2 0 1000.00 -999 ? >ALA^B 136 61.94 30.18 50.88 61.59 28.73 51.19 61.77 29.46 51.03 2 0 1000.00 -999 ? >GLY^B 137 58.93 32.31 50.10 59.00 31.74 49.51 58.96 32.02 49.80 1 0 1000.00 -999 ? >ILE^B 138 54.53 31.75 48.66 53.89 30.95 49.64 54.21 31.35 49.15 3 0 1000.00 -999 ? >TYR^B 139 55.11 35.73 44.03 55.18 34.66 41.44 55.15 35.19 42.73 3 0 1000.00 -999 ? >ASP^B 140 49.69 36.31 46.11 48.00 35.29 45.32 48.85 35.80 45.71 2 0 1000.00 -999 ? >ARG^B 141 47.94 37.15 41.03 46.05 38.68 39.13 46.99 37.92 40.08 2 0 1000.00 -999 ? >TRP^B 142 43.43 41.29 45.94 43.41 44.95 47.38 43.42 43.12 46.66 3 0 1000.00 -999 ? >LEU^B 143 43.47 43.02 40.65 42.47 41.17 40.10 42.97 42.10 40.38 3 0 1000.00 -999 ? >ASP^B 144 42.53 47.12 44.89 43.67 48.57 43.91 43.10 47.85 44.40 2 0 1000.00 -999 ? >LYS^B 145 38.75 46.70 41.99 36.15 42.49 40.67 37.45 44.59 41.33 2 0 1000.00 -999 ? >ASP^B 146 38.69 50.80 44.67 39.83 49.54 45.95 39.26 50.17 45.31 2 0 1000.00 -999 ? >THR^B 147 41.88 51.90 41.92 43.38 51.84 43.48 42.63 51.87 42.70 2 0 1000.00 -999 ? >GLY^B 148 42.44 49.06 39.47 42.98 49.29 40.02 42.71 49.18 39.74 1 0 1000.00 -999 ? >GLU^B 149 46.65 51.21 41.14 47.42 52.51 42.63 47.04 51.86 41.89 2 0 1000.00 -999 ? >GLU^B 150 47.92 44.86 38.29 46.22 43.63 38.52 47.07 44.25 38.41 2 0 1000.00 -999 ? >HIS^B 151 48.33 46.39 45.49 47.73 48.39 45.68 48.03 47.39 45.58 3 0 1000.00 -999 ? >GLU^B 152 52.95 42.04 41.71 54.43 41.78 40.22 53.69 41.91 40.96 2 0 1000.00 -999 ? >THR^B 153 53.26 40.79 47.63 51.30 41.19 48.41 52.28 40.99 48.02 2 0 1000.00 -999 ? >PHE^B 154 57.57 38.88 49.65 59.33 40.54 51.09 58.45 39.71 50.37 3 0 1000.00 -999 ? >SER^B 155 55.49 36.08 52.57 54.27 34.83 54.25 54.88 35.45 53.41 2 0 1000.00 -999 ? >ILE^B 156 59.49 35.08 55.07 60.85 35.57 55.32 60.17 35.32 55.20 3 0 1000.00 -999 ? >ILE^B 157 58.11 29.52 53.96 57.58 28.51 53.12 57.85 29.01 53.54 3 0 1000.00 -999 ? >THR^B 158 58.80 29.59 58.54 57.58 30.91 59.74 58.19 30.25 59.14 2 0 1000.00 -999 ? >THR^B 159 59.75 26.16 59.87 61.52 25.77 58.67 60.63 25.97 59.27 2 0 1000.00 -999 ? >ASP^B 160 60.33 23.13 63.61 58.32 22.48 63.55 59.33 22.80 63.58 2 0 1000.00 -999 ? >THR^B 161 63.67 25.73 64.94 62.94 26.69 66.72 63.30 26.21 65.83 2 0 1000.00 -999 ? >ASN^B 162 68.22 24.32 64.04 68.92 26.30 63.84 68.57 25.31 63.94 2 0 1000.00 -999 ? >SER^B 163 69.11 24.18 68.32 71.28 23.36 67.65 70.20 23.77 67.98 2 0 1000.00 -999 ? >LEU^B 164 71.47 28.13 66.61 72.43 30.06 66.37 71.95 29.10 66.49 3 0 1000.00 -999 ? >THR^B 165 67.24 29.26 66.76 66.27 29.73 64.87 66.75 29.49 65.81 2 0 1000.00 -999 ? >ASP^B 166 65.24 25.90 69.70 63.48 25.33 70.74 64.36 25.61 70.22 2 0 1000.00 -999 ? >TYR^B 167 69.85 29.62 73.13 71.01 30.96 75.29 70.43 30.29 74.21 3 0 1000.00 -999 ? >ILE^B 168 67.83 33.13 69.24 68.81 33.99 68.58 68.32 33.56 68.91 3 0 1000.00 -999 ? >ASP^B 169 62.87 32.21 68.24 60.78 32.61 68.14 61.82 32.41 68.19 2 0 1000.00 -999 ? >ASN^B 170 63.54 30.98 74.22 63.49 32.89 75.19 63.52 31.93 74.71 2 0 1000.00 -999 ? >THR^B 171 59.08 32.24 72.89 59.37 34.38 73.02 59.23 33.31 72.95 2 0 1000.00 -999 ? >LYS^B 172 57.66 31.40 69.43 55.16 35.35 70.73 56.41 33.37 70.08 2 0 1000.00 -999 ? >HIS^B 173 59.67 27.50 70.57 59.97 27.65 72.64 59.82 27.58 71.61 3 0 1000.00 -999 ? >ARG^B 174 56.92 29.41 63.56 56.88 26.61 62.30 56.90 28.01 62.93 2 0 1000.00 -999 ? >MET?B 175 62.81 30.38 62.09 65.64 27.24 61.73 64.23 28.81 61.91 2 0 1000.00 -999 ? >PRO^B 176 63.70 33.31 59.05 62.86 31.23 59.09 63.28 32.27 59.07 3 0 1000.00 -999 ? >ALA^B 177 62.85 28.34 55.90 61.69 27.88 55.01 62.27 28.11 55.46 2 0 1000.00 -999 ? >ILE^B 178 67.64 29.00 55.61 68.57 29.90 56.23 68.10 29.45 55.92 3 0 1000.00 -999 ? >LEU^B 179 66.89 27.30 50.14 64.82 27.07 49.56 65.85 27.19 49.85 3 0 1000.00 -999 ? >THR^B 180 71.14 25.86 50.69 71.23 23.72 50.91 71.19 24.79 50.80 2 0 1000.00 -999 ? >GLN^B 181 74.40 28.62 46.17 75.99 30.01 46.50 75.19 29.31 46.34 2 0 1000.00 -999 ? >GLU^B 182 74.20 22.58 45.82 75.12 20.73 46.27 74.66 21.65 46.05 2 0 1000.00 -999 ? >GLU^B 183 68.46 22.52 48.85 67.97 22.39 50.89 68.22 22.46 49.87 2 0 1000.00 -999 ? >GLU^B 184 69.48 28.95 46.73 71.05 30.34 46.44 70.26 29.65 46.59 2 0 1000.00 -999 ? >GLU^B 185 68.24 25.90 39.60 69.76 24.71 38.66 69.00 25.30 39.13 2 0 1000.00 -999 ? >LYS^B 186 65.33 23.49 42.76 63.85 18.42 43.89 64.59 20.95 43.33 2 0 1000.00 -999 ? >TRP^B 187 61.83 28.59 46.35 59.35 26.60 48.68 60.59 27.60 47.52 3 0 1000.00 -999 ? >LEU^B 188 62.69 28.68 41.27 63.06 30.44 42.44 62.87 29.56 41.85 3 0 1000.00 -999 ? >ASN^B 189 62.22 23.17 39.61 62.19 22.00 37.86 62.20 22.58 38.73 2 0 1000.00 -999 ? >PRO^B 190 58.47 26.03 36.78 58.46 24.52 38.42 58.47 25.27 37.60 3 0 1000.00 -999 ? >SER^B 191 57.74 20.61 38.07 58.92 20.56 35.96 58.33 20.58 37.01 2 0 1000.00 -999 ? >LEU^B 192 58.71 21.12 42.79 60.80 21.24 43.33 59.76 21.18 43.06 3 0 1000.00 -999 ? >SER^B 193 55.49 17.89 43.45 56.35 15.91 44.51 55.92 16.90 43.98 2 0 1000.00 -999 ? >LYS^B 194 53.87 18.53 46.83 51.11 17.37 51.30 52.49 17.95 49.07 2 0 1000.00 -999 ? >ALA^B 195 56.21 16.14 48.67 56.29 14.62 48.46 56.25 15.38 48.57 2 0 1000.00 -999 ? >GLU^B 196 59.97 16.40 44.88 60.48 16.60 42.85 60.22 16.50 43.87 2 0 1000.00 -999 ? >ILE^B 197 56.76 21.75 47.76 55.94 22.77 47.14 56.35 22.26 47.45 3 0 1000.00 -999 ? >ALA^B 198 57.70 20.00 51.67 56.64 19.01 52.19 57.17 19.51 51.93 2 0 1000.00 -999 ? >SER^B 199 61.06 18.23 51.78 61.83 17.61 49.56 61.44 17.92 50.67 2 0 1000.00 -999 ? >LEU^B 200 62.59 22.27 49.65 63.74 21.89 47.84 63.16 22.08 48.74 3 0 1000.00 -999 ? >LEU^B 201 59.55 23.62 53.94 58.77 25.16 52.64 59.16 24.39 53.29 3 0 1000.00 -999 ? >LYS^B 202 63.02 22.03 57.03 64.95 16.39 55.92 63.99 19.21 56.47 2 0 1000.00 -999 ? >PRO^B 203 63.70 22.43 61.30 64.66 23.20 59.43 64.18 22.81 60.37 3 0 1000.00 -999 ? >PHE^B 204 69.98 26.31 57.15 71.92 26.72 55.16 70.95 26.52 56.15 3 0 1000.00 -999 ? >ASP^B 205 72.54 22.04 59.18 71.70 20.33 58.25 72.12 21.18 58.71 2 0 1000.00 -999 ? >THR^B 206 72.73 24.60 63.06 73.07 23.78 65.05 72.90 24.19 64.06 2 0 1000.00 -999 ? >GLU^B 207 76.37 22.04 60.44 76.74 19.98 60.12 76.55 21.01 60.28 2 0 1000.00 -999 ? >LYS^B 208 76.05 26.25 59.14 74.32 22.24 54.56 75.18 24.25 56.85 2 0 1000.00 -999 ? >MET?B 209 74.82 29.18 61.25 70.65 28.67 60.85 72.74 28.93 61.05 2 0 1000.00 -999 ? >ASP^B 210 77.48 32.07 63.58 78.65 32.13 65.38 78.06 32.10 64.48 2 0 1000.00 -999 ? >ALA^B 211 74.63 34.60 65.82 73.22 34.21 66.25 73.93 34.40 66.04 2 0 1000.00 -999 ? >TYR^B 212 77.04 38.72 66.75 77.17 40.45 64.57 77.11 39.58 65.66 3 0 1000.00 -999 ? >VAL^B 213 74.05 39.80 70.64 73.50 39.66 72.74 73.77 39.73 71.69 3 0 1000.00 -999 ? >ILE^B 214 72.96 43.54 67.89 72.17 43.05 66.77 72.56 43.30 67.33 3 0 1000.00 -999 ? >ARG^B 215 75.37 48.96 70.68 78.23 50.08 70.60 76.80 49.52 70.64 2 0 1000.00 -999 ? >ASN^B 216 68.00 46.70 72.88 69.17 47.60 74.43 68.59 47.15 73.65 2 0 1000.00 -999 ? >ASP^B 217 69.71 51.53 70.67 71.68 51.33 69.92 70.69 51.43 70.29 2 0 1000.00 -999 ? >PHE^B 218 68.58 46.83 66.11 66.74 44.71 66.27 67.66 45.77 66.19 3 0 1000.00 -999 ? >LEU^B 219 64.26 48.97 67.13 63.46 46.97 67.25 63.86 47.97 67.19 3 0 1000.00 -999 ? >LYS^B 220 65.59 53.33 66.55 62.95 53.97 70.95 64.27 53.65 68.75 2 0 1000.00 -999 ? >LYS^B 221 68.42 53.68 64.02 72.42 52.31 67.50 70.42 52.99 65.76 2 0 1000.00 -999 ? >SER^B 222 68.06 54.49 60.33 68.29 55.88 58.34 68.17 55.19 59.34 2 0 1000.00 -999 ? >PRO^B 223 65.23 51.95 58.17 67.41 51.95 58.61 66.32 51.95 58.39 3 0 1000.00 -999 ? >ASN^B 224 70.57 52.98 55.06 70.10 54.98 55.60 70.34 53.98 55.33 2 0 1000.00 -999 ? >ASP^B 225 72.35 53.24 60.60 73.88 53.64 61.99 73.12 53.44 61.30 2 0 1000.00 -999 ? >PRO^B 226 76.61 51.35 57.58 75.32 50.60 59.24 75.96 50.98 58.41 3 0 1000.00 -999 ? >THR^B 227 76.06 50.07 63.15 76.19 52.14 63.75 76.12 51.10 63.45 2 0 1000.00 -999 ? >ILE^B 228 71.61 48.23 62.41 70.27 48.47 61.99 70.94 48.35 62.20 3 0 1000.00 -999 ? >VAL^B 229 74.58 44.89 63.26 74.78 44.46 61.13 74.68 44.67 62.20 3 0 1000.00 -999 ? >GLN^B 230 79.14 47.52 66.64 79.73 49.55 66.89 79.43 48.54 66.76 2 0 1000.00 -999 ? >ARG^B 231 80.18 40.17 68.79 81.11 37.30 69.28 80.64 38.73 69.03 2 0 1000.00 -999 ? >ALA^B 232 77.10 44.55 71.80 76.16 43.77 72.71 76.63 44.16 72.25 2 0 1000.00 -999 ? >LEU^B 233 79.50 47.67 74.63 77.75 48.52 75.60 78.63 48.09 75.12 3 0 1000.00 -999 ?