REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-JAN-06 2FPN COMPND YWMB; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 STRAIN: 168; SOURCE 5 GENE: YWMB; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,R.WU,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 7 8 HET MSE A 11 8 HET MSE A 60 8 HET MSE A 98 8 HET MSE A 139 8 HET MSE A 182 8 HET MSE A 188 8 >LEU.A 1 48.83 -6.49 12.87 47.91 -7.57 11.19 48.37 -7.03 12.03 3 0 1000.00 -999 ? >THR~A 2 49.99 -2.32 13.81 49.02 -1.19 12.25 49.50 -1.76 13.03 2 0 1000.00 -999 ? >PRO~A 3 53.48 -0.96 15.94 51.28 -0.91 16.30 52.38 -0.94 16.12 3 0 1000.00 -999 ? >LEU~A 4 48.89 3.05 14.85 47.90 5.02 14.92 48.40 4.03 14.89 3 0 1000.00 -999 ? >ALA~A 5 45.88 0.14 16.24 45.62 -1.07 15.36 45.75 -0.46 15.80 2 0 1000.00 -999 ? >GLN~A 6 47.85 -3.85 19.17 49.38 -4.87 18.11 48.61 -4.36 18.64 2 0 1000.00 -999 ? >MET?A 7 48.08 1.69 21.30 51.68 3.63 21.27 49.88 2.66 21.29 2 0 1000.00 -999 ? >ALA~A 8 44.81 3.36 20.33 44.31 3.56 18.91 44.56 3.46 19.62 2 0 1000.00 -999 ? >GLU~A 9 41.76 -0.52 19.02 42.28 -1.96 17.55 42.02 -1.24 18.29 2 0 1000.00 -999 ? >GLY~A 10 44.46 -0.17 24.48 44.07 0.52 24.19 44.27 0.18 24.34 1 0 1000.00 -999 ? >MET?A 11 43.97 3.48 25.43 46.84 6.01 23.87 45.41 4.75 24.65 2 0 1000.00 -999 ? >GLU~A 12 39.11 4.28 22.67 40.18 4.26 20.82 39.64 4.27 21.74 2 0 1000.00 -999 ? >ARG~A 13 40.06 -3.40 25.79 42.65 -3.63 24.14 41.36 -3.52 24.97 2 0 1000.00 -999 ? >GLN~A 14 43.82 1.89 31.03 42.76 0.55 32.29 43.29 1.22 31.66 2 0 1000.00 -999 ? >ASP.A 15 38.73 5.08 30.89 36.82 4.23 31.10 37.77 4.65 30.99 2 0 1000.00 -999 ? >VAL^A 16 41.81 7.35 27.86 43.97 7.49 28.16 42.89 7.42 28.01 3 0 1000.00 -999 ? >SER^A 17 40.22 9.80 25.42 38.18 11.04 25.02 39.20 10.42 25.22 2 0 1000.00 -999 ? >ILE^A 18 42.62 9.35 21.24 43.15 8.33 20.58 42.88 8.84 20.91 3 0 1000.00 -999 ? >ASP^A 19 43.91 14.97 22.53 42.89 14.99 24.40 43.40 14.98 23.47 2 0 1000.00 -999 ? >LYS^A 20 46.00 13.56 18.93 50.63 17.86 18.82 48.31 15.71 18.88 2 0 1000.00 -999 ? >TRP^A 21 45.19 10.27 15.66 46.69 9.81 12.04 45.94 10.04 13.85 3 0 1000.00 -999 ? >THR^A 22 51.33 11.30 15.40 52.57 12.79 16.43 51.95 12.04 15.91 2 0 1000.00 -999 ? >LEU^A 23 52.85 8.20 12.15 51.48 6.55 12.46 52.17 7.37 12.30 3 0 1000.00 -999 ? >HIS^A 24 58.40 10.90 14.31 59.62 10.54 15.98 59.01 10.72 15.15 3 0 1000.00 -999 ? >ALA^A 25 60.22 8.60 10.80 59.92 7.75 9.60 60.07 8.18 10.20 2 0 1000.00 -999 ? >LYS^A 26 63.71 10.03 10.62 67.21 12.64 14.97 65.46 11.34 12.79 2 0 1000.00 -999 ? >GLN^A 27 67.57 8.47 6.16 67.08 8.34 4.10 67.32 8.41 5.13 2 0 1000.00 -999 ? >ASN^A 28 71.21 9.87 10.23 70.33 9.67 12.15 70.77 9.77 11.19 2 0 1000.00 -999 ? >LEU^A 29 70.98 12.65 5.53 69.62 11.87 4.01 70.30 12.26 4.77 3 0 1000.00 -999 ? >SER.A 30 75.22 13.69 5.41 77.58 13.71 5.82 76.40 13.70 5.61 2 0 1000.00 -999 ? >LEU.A 31 73.26 17.25 3.57 71.69 16.10 2.64 72.48 16.68 3.11 3 0 1000.00 -999 ? >THR~A 32 76.98 19.70 2.37 78.56 19.77 0.91 77.77 19.74 1.64 2 0 1000.00 -999 ? >GLU~A 33 74.76 25.50 2.28 75.53 27.48 2.43 75.14 26.49 2.36 2 0 1000.00 -999 ? >LYS~A 34 75.31 22.29 -1.74 78.10 21.42 -7.40 76.70 21.85 -4.57 2 0 1000.00 -999 ? >GLU~A 35 75.77 17.22 -1.29 76.86 15.92 -0.04 76.31 16.57 -0.66 2 0 1000.00 -999 ? >PHE~A 36 70.32 21.59 2.98 68.06 22.69 4.24 69.19 22.14 3.61 3 0 1000.00 -999 ? >TYR~A 37 70.18 25.00 -0.65 69.96 26.75 1.51 70.07 25.88 0.43 3 0 1000.00 -999 ? >GLN~A 38 70.97 18.21 -5.56 71.03 19.45 -7.29 71.00 18.83 -6.42 2 0 1000.00 -999 ? >LYS~A 39 67.84 17.65 -1.89 67.04 12.44 -0.68 67.44 15.05 -1.28 2 0 1000.00 -999 ? >VAL~A 40 65.41 20.49 -1.11 65.39 22.35 0.12 65.40 21.42 -0.50 3 0 1000.00 -999 ? >GLN~A 41 65.66 21.80 -7.17 67.27 22.26 -8.48 66.46 22.03 -7.83 2 0 1000.00 -999 ? >ARG~A 42 67.32 15.22 -6.24 69.07 14.67 -3.71 68.20 14.95 -4.97 2 0 1000.00 -999 ? >LEU~A 43 62.07 17.75 -1.13 62.86 16.33 0.33 62.47 17.04 -0.40 3 0 1000.00 -999 ? >LYS~A 44 59.90 20.47 -3.97 62.00 26.22 -2.25 60.95 23.34 -3.11 2 0 1000.00 -999 ? >GLN~A 45 61.40 19.69 -9.10 63.51 19.49 -9.57 62.45 19.59 -9.33 2 0 1000.00 -999 ? >GLU~A 46 58.94 13.02 -5.28 59.14 11.64 -6.91 59.04 12.33 -6.09 2 0 1000.00 -999 ? >TYR~A 47 57.14 14.82 -1.94 58.42 12.35 -1.84 57.78 13.59 -1.89 3 0 1000.00 -999 ? >ARG.A 48 54.88 18.97 -8.65 52.75 16.91 -9.64 53.82 17.94 -9.14 2 0 1000.00 -999 ? >GLN.A 49 51.92 17.36 -0.62 52.88 15.80 -1.69 52.40 16.58 -1.15 2 0 1000.00 -999 ? >TYR.A 50 55.22 19.10 1.56 54.99 16.58 2.67 55.11 17.84 2.12 3 0 1000.00 -999 ? >ASP^A 51 53.44 25.70 1.95 51.64 25.77 0.90 52.54 25.73 1.43 2 0 1000.00 -999 ? >TRP^A 52 58.10 23.14 -0.56 59.83 20.31 1.55 58.97 21.72 0.50 3 0 1000.00 -999 ? >VAL^A 53 59.86 27.69 4.46 58.89 28.84 6.06 59.37 28.27 5.26 3 0 1000.00 -999 ? >ILE^A 54 64.65 28.06 3.63 64.78 27.61 2.87 64.72 27.84 3.25 3 0 1000.00 -999 ? >ALA^A 55 64.90 28.79 8.22 64.03 28.49 9.44 64.47 28.64 8.83 2 0 1000.00 -999 ? >ARG.A 56 71.61 30.84 7.18 73.26 30.05 4.68 72.43 30.44 5.93 2 0 1000.00 -999 ? >GLU.A 57 68.64 28.82 15.20 68.23 26.73 15.08 68.43 27.78 15.14 2 0 1000.00 -999 ? >ASP.A 58 73.94 30.59 12.19 74.12 30.57 10.08 74.03 30.58 11.13 2 0 1000.00 -999 ? >LYS.A 59 74.95 27.43 12.19 77.54 30.42 15.03 76.25 28.93 13.61 2 0 1000.00 -999 ? >MET?A 60 72.05 25.15 11.10 69.75 22.94 13.78 70.90 24.04 12.44 2 0 1000.00 -999 ? >ILE.A 61 70.17 25.18 6.68 70.84 25.85 5.58 70.51 25.52 6.13 3 0 1000.00 -999 ? >LYS.A 62 66.07 23.83 8.11 64.03 23.50 14.08 65.05 23.67 11.09 2 0 1000.00 -999 ? >ALA.A 63 63.75 23.30 5.15 64.17 22.68 3.84 63.96 22.99 4.49 2 0 1000.00 -999 ? >ILE.A 64 59.78 23.54 7.79 59.73 23.82 9.05 59.75 23.68 8.42 3 0 1000.00 -999 ? >GLY.A 65 57.53 21.48 4.24 57.46 21.34 5.05 57.49 21.41 4.64 1 0 1000.00 -999 ? >THR.A 66 53.95 21.65 5.38 53.33 23.03 6.94 53.64 22.34 6.16 2 0 1000.00 -999 ? >TYR.A 67 49.77 18.79 2.15 47.51 17.71 0.86 48.64 18.25 1.50 3 0 1000.00 -999 ? >THR.A 68 47.18 19.52 5.41 46.06 21.03 6.56 46.62 20.28 5.98 2 0 1000.00 -999 ? >ASP.A 69 45.32 15.43 3.80 44.10 14.20 2.52 44.71 14.81 3.16 2 0 1000.00 -999 ? >LYS.A 70 41.39 18.20 4.37 40.37 23.35 1.75 40.88 20.77 3.06 2 0 1000.00 -999 ? >LYS.A 71 39.69 15.14 2.91 38.95 11.16 -1.96 39.32 13.15 0.48 2 0 1000.00 -999 ? >ASN.A 72 42.66 11.98 4.70 42.16 10.79 3.00 42.41 11.39 3.85 2 0 1000.00 -999 ? >ARG.A 73 37.75 14.13 8.80 38.46 11.59 10.45 38.11 12.86 9.63 2 0 1000.00 -999 ? >THR^A 74 45.28 14.67 8.54 46.19 12.90 7.61 45.73 13.79 8.08 2 0 1000.00 -999 ? >SER^A 75 48.49 16.79 8.48 47.59 18.84 9.35 48.04 17.81 8.92 2 0 1000.00 -999 ? >PHE^A 76 51.06 14.51 5.47 49.36 12.32 5.15 50.21 13.41 5.31 3 0 1000.00 -999 ? >ARG^A 77 56.66 19.83 10.74 57.44 18.73 13.52 57.05 19.28 12.13 2 0 1000.00 -999 ? >LEU^A 78 58.49 16.74 4.22 59.54 15.07 3.24 59.01 15.91 3.73 3 0 1000.00 -999 ? >GLN^A 79 62.23 19.77 9.34 61.76 20.06 11.39 61.99 19.92 10.36 2 0 1000.00 -999 ? >LEU^A 80 65.61 18.77 4.49 67.23 17.66 3.47 66.42 18.21 3.98 3 0 1000.00 -999 ? >VAL^A 81 67.92 19.65 8.42 67.31 20.13 10.47 67.62 19.89 9.44 3 0 1000.00 -999 ? >THR^A 82 71.68 20.11 8.19 73.03 20.59 6.56 72.35 20.35 7.37 2 0 1000.00 -999 ? >THR^A 83 74.17 21.66 10.61 74.68 20.29 12.22 74.43 20.97 11.42 2 0 1000.00 -999 ? >LEU.A 84 75.67 25.50 8.29 76.07 27.17 6.96 75.87 26.33 7.62 3 0 1000.00 -999 ? >LYS.A 85 79.42 24.43 10.43 83.33 27.18 13.48 81.37 25.81 11.95 2 0 1000.00 -999 ? >LYS.A 86 81.36 21.16 9.97 78.24 17.87 13.56 79.80 19.51 11.77 2 0 1000.00 -999 ? >HIS.A 87 85.07 20.89 6.11 85.30 22.36 4.63 85.18 21.63 5.37 3 0 1000.00 -999 ? >ASN.A 88 82.45 15.07 9.13 81.80 13.21 8.32 82.12 14.14 8.72 2 0 1000.00 -999 ? >PRO.A 89 78.22 17.72 6.31 78.74 17.16 8.43 78.48 17.44 7.37 3 0 1000.00 -999 ? >THR.A 90 75.30 15.78 10.54 75.87 15.79 12.65 75.59 15.79 11.60 2 0 1000.00 -999 ? >SER^A 91 72.00 15.95 8.66 73.35 16.92 6.89 72.67 16.44 7.77 2 0 1000.00 -999 ? >TYR^A 92 67.45 15.07 10.87 66.08 17.09 12.22 66.76 16.08 11.54 3 0 1000.00 -999 ? >LEU^A 93 65.21 13.39 5.52 63.76 13.91 4.01 64.48 13.65 4.77 3 0 1000.00 -999 ? >LEU^A 94 62.17 14.66 10.32 60.86 14.59 12.09 61.51 14.62 11.21 3 0 1000.00 -999 ? >TYR^A 95 57.14 11.48 6.21 54.61 11.01 5.12 55.88 11.24 5.66 3 0 1000.00 -999 ? >GLU^A 96 55.25 14.39 12.40 55.59 16.09 13.60 55.42 15.24 13.00 2 0 1000.00 -999 ? >GLN^A 97 49.92 11.56 8.93 49.10 9.86 7.92 49.51 10.71 8.43 2 0 1000.00 -999 ? >MET?A 98 49.51 14.03 12.62 48.34 17.32 14.05 48.92 15.68 13.34 2 0 1000.00 -999 ? >SER^A 99 45.78 14.37 13.34 43.58 13.81 12.45 44.68 14.09 12.89 2 0 1000.00 -999 ? >LEU.A 100 42.93 17.10 16.20 44.19 18.73 16.90 43.56 17.92 16.55 3 0 1000.00 -999 ? >GLU.A 101 39.51 15.01 13.79 38.22 15.52 12.18 38.86 15.26 12.98 2 0 1000.00 -999 ? >THR.A 102 40.51 9.31 15.01 39.14 8.83 16.59 39.82 9.07 15.80 2 0 1000.00 -999 ? >PRO.A 103 42.85 6.83 12.31 40.99 8.06 12.23 41.92 7.45 12.27 3 0 1000.00 -999 ? >ASP.A 104 38.38 5.47 8.16 36.99 6.92 7.47 37.68 6.19 7.82 2 0 1000.00 -999 ? >SER~A 105 41.16 2.77 10.31 42.26 0.88 9.29 41.71 1.82 9.80 2 0 1000.00 -999 ? >TRP~A 106 42.18 2.85 15.56 43.56 6.42 16.43 42.87 4.64 16.00 3 0 1000.00 -999 ? >ASN~A 107 45.15 -1.34 10.64 45.45 -2.27 12.52 45.30 -1.80 11.58 2 0 1000.00 -999 ? >ASP~A 108 43.85 1.79 6.37 42.59 0.11 6.24 43.22 0.95 6.30 2 0 1000.00 -999 ? >THR~A 109 46.72 4.79 8.16 45.66 6.01 9.64 46.19 5.40 8.90 2 0 1000.00 -999 ? >TYR~A 110 51.25 1.99 11.49 53.77 1.42 12.54 52.51 1.70 12.02 3 0 1000.00 -999 ? >GLU~A 111 49.44 -1.39 7.27 48.06 -2.96 6.91 48.75 -2.17 7.09 2 0 1000.00 -999 ? >GLN~A 112 47.85 4.76 3.36 48.40 6.12 1.86 48.12 5.44 2.61 2 0 1000.00 -999 ? >PHE~A 113 53.46 7.17 8.40 55.53 8.80 9.31 54.49 7.98 8.85 3 0 1000.00 -999 ? >GLU~A 114 55.80 0.64 6.82 55.51 -1.05 8.06 55.65 -0.21 7.44 2 0 1000.00 -999 ? >ARG~A 115 51.40 1.70 0.26 49.52 0.56 2.40 50.46 1.13 1.33 2 0 1000.00 -999 ? >GLU~A 116 52.90 7.88 1.76 51.32 8.57 3.01 52.11 8.23 2.39 2 0 1000.00 -999 ? >THR~A 117 58.11 6.26 4.20 58.49 5.45 6.19 58.30 5.86 5.20 2 0 1000.00 -999 ? >LEU~A 118 59.26 2.46 1.44 59.27 0.70 2.71 59.26 1.58 2.07 3 0 1000.00 -999 ? >GLY~A 119 59.09 6.14 -1.15 59.46 6.31 -0.42 59.28 6.23 -0.78 1 0 1000.00 -999 ? >ILE~A 120 59.86 9.87 1.87 59.16 10.82 2.53 59.51 10.35 2.20 3 0 1000.00 -999 ? >PHE~A 121 62.90 8.07 4.71 61.91 9.91 6.53 62.40 8.99 5.62 3 0 1000.00 -999 ? >GLN~A 122 64.42 5.80 -2.36 65.73 6.23 -3.98 65.07 6.02 -3.17 2 0 1000.00 -999 ? >GLU.A 123 66.50 3.30 5.05 68.25 4.21 5.78 67.38 3.75 5.42 2 0 1000.00 -999 ? >LYS.A 124 63.33 0.84 5.71 61.69 -3.49 9.59 62.51 -1.32 7.65 2 0 1000.00 -999 ? >VAL.A 125 63.29 3.15 8.72 62.98 5.00 7.64 63.14 4.08 8.18 3 0 1000.00 -999 ? >VAL.A 126 62.05 2.93 12.29 62.99 2.52 14.26 62.52 2.72 13.27 3 0 1000.00 -999 ? >ILE^A 127 57.38 3.63 11.83 56.43 3.70 10.74 56.90 3.67 11.28 3 0 1000.00 -999 ? >PHE^A 128 59.88 7.00 16.42 62.61 6.46 16.82 61.24 6.73 16.62 3 0 1000.00 -999 ? >THR^A 129 54.00 6.19 17.12 52.57 4.70 16.53 53.29 5.44 16.82 2 0 1000.00 -999 ? >CYH^A 130 52.80 8.64 19.77 53.52 10.80 21.45 53.16 9.72 20.61 2 0 1000.00 -999 ? >LEU^A 131 48.36 8.03 21.38 48.01 6.82 19.55 48.19 7.43 20.46 3 0 1000.00 -999 ? >ASN^A 132 48.33 13.52 22.91 50.39 13.93 22.61 49.36 13.73 22.76 2 0 1000.00 -999 ? >GLY^A 133 44.86 11.78 25.31 45.43 12.15 25.79 45.15 11.97 25.55 1 0 1000.00 -999 ? >HIS^A 134 40.98 14.28 27.61 39.22 14.29 26.46 40.10 14.28 27.03 3 0 1000.00 -999 ? >LEU^A 135 41.83 11.05 32.67 43.25 9.47 33.15 42.54 10.26 32.91 3 0 1000.00 -999 ? >ASP.A 136 36.46 10.37 31.80 34.43 10.91 31.90 35.45 10.64 31.85 2 0 1000.00 -999 ? >ASP.A 137 37.02 16.01 33.81 35.78 16.89 32.28 36.40 16.45 33.05 2 0 1000.00 -999 ? >ASN~A 138 32.26 12.45 33.78 30.26 12.00 34.38 31.26 12.22 34.08 2 0 1000.00 -999 ? >MET?A 139 33.04 13.33 38.58 35.89 14.37 39.89 34.47 13.85 39.23 2 0 1000.00 -999 ? >ASN~A 140 28.68 11.52 37.40 26.86 12.24 38.24 27.77 11.88 37.82 2 0 1000.00 -999 ? >ILE~A 141 32.49 7.96 35.97 32.58 7.26 35.45 32.54 7.61 35.71 3 0 1000.00 -999 ? >VAL~A 142 34.24 8.20 40.29 35.87 9.67 39.91 35.05 8.94 40.10 3 0 1000.00 -999 ? >LEU~A 143 30.56 10.27 42.81 30.79 12.38 43.39 30.68 11.32 43.10 3 0 1000.00 -999 ? >GLN~A 144 27.43 6.73 40.24 26.98 7.29 38.23 27.21 7.01 39.24 2 0 1000.00 -999 ? >LYS~A 145 32.31 3.60 41.64 34.53 -1.13 41.63 33.42 1.24 41.63 2 0 1000.00 -999 ? >LYS~A 146 33.42 4.29 45.23 38.24 4.31 47.13 35.83 4.30 46.18 2 0 1000.00 -999 ? >ALA~A 147 29.77 4.13 46.34 28.63 4.82 45.61 29.20 4.48 45.97 2 0 1000.00 -999 ? >ASN~A 148 29.74 0.12 43.61 27.88 0.48 42.64 28.81 0.30 43.12 2 0 1000.00 -999 ? >GLN~A 149 34.92 0.41 44.87 36.61 1.70 44.60 35.77 1.05 44.74 2 0 1000.00 -999 ? >LEU~A 150 31.22 2.33 50.11 32.30 3.95 51.11 31.76 3.14 50.61 3 0 1000.00 -999 ? >LEU~A 151 27.40 -0.74 48.00 25.29 -1.25 47.82 26.34 -1.00 47.91 3 0 1000.00 -999 ? >ASN~A 152 30.96 -4.54 47.45 29.62 -4.52 45.79 30.29 -4.53 46.62 2 0 1000.00 -999 ? >GLU~A 153 34.20 -1.70 52.81 35.90 -2.86 52.37 35.05 -2.28 52.59 2 0 1000.00 -999 ? >PHE~A 154 29.61 -1.49 54.61 31.19 0.38 55.88 30.40 -0.55 55.25 3 0 1000.00 -999 ? >GLN~A 155 28.00 -7.65 52.52 28.17 -8.81 54.29 28.08 -8.23 53.40 2 0 1000.00 -999 ? >VAL.A 159 20.77 -1.20 48.28 22.25 -2.14 46.99 21.51 -1.67 47.64 3 0 1000.00 -999 ? >GLU.A 160 17.20 1.08 48.52 15.62 2.33 49.13 16.41 1.70 48.83 2 0 1000.00 -999 ? >HIS.A 161 19.09 2.05 43.18 18.19 0.16 43.12 18.64 1.10 43.15 3 0 1000.00 -999 ? >VAL.A 162 19.87 7.57 43.00 19.78 9.45 44.05 19.83 8.51 43.53 3 0 1000.00 -999 ? >VAL.A 163 21.79 9.96 40.76 23.14 8.88 39.36 22.47 9.42 40.06 3 0 1000.00 -999 ? >GLU.A 164 19.88 14.46 41.52 19.12 14.71 43.48 19.50 14.59 42.50 2 0 1000.00 -999 ? >PRO.A 165 22.49 17.96 38.85 23.76 16.10 38.93 23.12 17.03 38.89 3 0 1000.00 -999 ? >ASN.A 166 28.18 17.06 41.21 29.50 17.30 39.54 28.84 17.18 40.37 2 0 1000.00 -999 ? >PHE^A 167 23.79 13.94 45.33 22.64 13.18 47.77 23.22 13.56 46.55 3 0 1000.00 -999 ? >VAL^A 168 24.97 9.86 44.48 26.38 8.18 44.12 25.67 9.02 44.30 3 0 1000.00 -999 ? >SER^A 169 22.95 8.23 47.30 20.61 8.92 47.58 21.78 8.58 47.44 2 0 1000.00 -999 ? >ILE^A 170 23.34 3.67 47.94 24.02 3.48 47.28 23.68 3.57 47.61 3 0 1000.00 -999 ? >SER^A 171 19.88 2.89 50.74 18.12 4.54 51.00 19.00 3.71 50.87 2 0 1000.00 -999 ? >ALA^A 172 20.85 -0.71 51.59 22.34 -0.84 51.29 21.60 -0.77 51.44 2 0 1000.00 -999 ? >PHE.A 173 18.86 -5.26 55.00 18.22 -6.97 57.14 18.54 -6.11 56.07 3 0 1000.00 -999 ? >THR.A 174 22.87 -6.31 55.54 24.79 -5.32 55.36 23.83 -5.81 55.45 2 0 1000.00 -999 ? >ASP.A 175 22.15 -10.59 57.67 21.16 -10.86 55.78 21.65 -10.72 56.72 2 0 1000.00 -999 ? >GLU.A 176 26.98 -7.42 57.71 28.73 -8.52 58.16 27.85 -7.97 57.93 2 0 1000.00 -999 ? >TRP.A 177 26.26 -3.82 62.02 25.99 -1.41 58.92 26.13 -2.61 60.47 3 0 1000.00 -999 ? >GLU.A 178 21.81 -5.75 66.93 22.15 -7.78 66.43 21.98 -6.76 66.68 2 0 1000.00 -999 ? >GLU.A 179 20.53 -0.55 63.69 21.99 -1.45 64.95 21.26 -1.00 64.32 2 0 1000.00 -999 ? >TYR.A 180 14.74 -3.27 61.03 12.68 -3.86 62.84 13.71 -3.57 61.93 3 0 1000.00 -999 ? >ILE^A 181 13.81 2.06 59.43 14.48 3.24 59.46 14.15 2.65 59.45 3 0 1000.00 -999 ? >MET?A 182 10.52 -0.14 57.38 10.60 -2.86 59.48 10.56 -1.50 58.43 2 0 1000.00 -999 ? >THR^A 183 8.66 2.78 55.94 9.76 4.67 55.88 9.21 3.72 55.91 2 0 1000.00 -999 ? >SER.A 184 6.87 3.38 52.66 7.77 5.61 52.32 7.32 4.50 52.49 2 0 1000.00 -999 ? >LYS.A 185 7.76 0.22 50.75 7.89 0.79 44.55 7.83 0.50 47.65 2 0 1000.00 -999 ? >HIS^A 186 11.91 0.19 49.88 12.09 1.96 48.76 12.00 1.07 49.32 3 0 1000.00 -999 ? >LYS^A 187 13.36 -1.87 54.48 14.82 -6.89 57.20 14.09 -4.38 55.84 2 0 1000.00 -999 ? >MET?A 188 16.81 -0.49 55.03 16.01 3.80 53.62 16.41 1.65 54.33 2 0 1000.00 -999 ? >ASN^A 189 19.77 -1.00 58.44 20.92 -2.74 57.96 20.35 -1.87 58.20 2 0 1000.00 -999 ? >LEU^A 190 23.67 0.62 54.91 25.76 1.15 54.43 24.71 0.89 54.67 3 0 1000.00 -999 ? >GLN^A 191 20.62 6.33 53.33 19.13 7.50 54.38 19.88 6.92 53.85 2 0 1000.00 -999 ? >ILE^A 192 26.61 4.91 50.56 27.80 4.20 51.19 27.20 4.55 50.87 3 0 1000.00 -999 ? >ALA^A 193 26.18 9.47 50.05 25.19 10.39 50.76 25.68 9.93 50.40 2 0 1000.00 -999 ? >LEU^A 194 29.72 10.21 46.93 30.68 8.51 48.03 30.20 9.36 47.48 3 0 1000.00 -999 ? >ARG^A 195 27.05 17.86 47.59 24.03 17.86 48.20 25.54 17.86 47.90 2 0 1000.00 -999 ? >SER^A 196 31.65 16.37 44.22 32.55 16.85 41.99 32.10 16.61 43.10 2 0 1000.00 -999 ? >HIS^A 203 35.24 14.58 45.36 35.47 15.31 43.41 35.35 14.95 44.39 3 0 1000.00 -999 ? >THR^A 204 32.37 14.31 50.35 30.86 15.75 51.07 31.61 15.03 50.71 2 0 1000.00 -999 ? >VAL^A 205 31.40 10.94 51.85 32.63 9.19 51.34 32.01 10.07 51.59 3 0 1000.00 -999 ? >THR^A 206 28.54 10.19 54.28 27.33 11.90 54.85 27.93 11.05 54.57 2 0 1000.00 -999 ? >VAL^A 207 27.81 6.76 55.77 29.29 5.23 55.14 28.55 6.00 55.45 3 0 1000.00 -999 ? >GLY^A 208 24.91 6.14 58.22 24.94 5.50 57.78 24.93 5.82 58.00 1 0 1000.00 -999 ? >THR^A 209 22.89 3.52 60.18 23.93 1.69 60.74 23.41 2.60 60.46 2 0 1000.00 -999 ? >PRO^A 210 18.68 2.47 61.69 20.28 3.32 60.37 19.48 2.89 61.03 3 0 1000.00 -999 ? >ILE^A 211 18.31 6.88 57.34 17.04 6.60 58.20 17.67 6.74 57.77 3 0 1000.00 -999 ? >VAL^A 212 21.74 9.58 57.57 22.96 10.65 56.04 22.35 10.12 56.81 3 0 1000.00 -999 ? >THR^A 213 19.31 12.06 59.25 18.77 11.05 61.09 19.04 11.56 60.17 2 0 1000.00 -999 ? >THR^A 214 18.89 15.89 59.59 17.85 17.02 58.02 18.37 16.45 58.80 2 0 1000.00 -999 ?