REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 05-JAN-10 3L9T COMPND PUTATIVE UNCHARACTERIZED PROTEIN SMU.31; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; SOURCE 3 ORGANISM_TAXID: 210007; SOURCE 4 STRAIN: UA159; SOURCE 5 GENE: SMU.31; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28A AUTHOR X.-D.SU,Q.CAO,X.LIU HET MSE A 1 8 HET MSE A 55 8 HET MSE A 74 8 HET EPE A 207 15 SITE 1 AC1 8 ASP A 81 ASN A 82 GLN A 87 LEU A 119 >SER~A 0 16.45 0.51 29.65 18.85 0.14 29.60 17.65 0.33 29.63 2 0 31.48 -999 ? O8 EPE A 207 >MET?A 1 16.90 4.26 30.08 18.84 7.88 28.58 17.87 6.07 29.33 2 0 25.34 -999 ? O8 EPE A 207 >LYS~A 2 13.28 4.25 29.00 9.89 6.36 25.95 11.59 5.30 27.48 2 0 23.28 -999 ? O8 EPE A 207 >GLN~A 3 13.05 -0.82 30.57 14.33 -2.53 30.44 13.69 -1.67 30.51 2 0 31.88 -999 ? O8 EPE A 207 >TYR~A 4 16.12 4.84 35.69 16.78 6.11 38.08 16.45 5.48 36.89 3 0 25.50 -999 ? O8 EPE A 207 >VAL~A 5 12.06 6.55 33.45 12.02 8.13 31.93 12.04 7.34 32.69 3 0 21.70 -999 ? O8 EPE A 207 >ALA~A 6 8.96 4.32 33.59 8.71 3.08 32.73 8.84 3.70 33.16 2 0 24.72 -999 ? O8 EPE A 207 >ARG~A 7 12.42 2.36 39.66 15.07 1.89 41.12 13.75 2.13 40.39 2 0 28.74 -999 ? O8 EPE A 207 >LEU~A 8 11.35 7.92 37.45 13.43 8.26 38.00 12.39 8.09 37.72 3 0 21.42 -999 ? O8 EPE A 207 >GLU~A 9 7.03 8.22 34.47 6.37 7.87 32.49 6.70 8.04 33.48 2 0 19.61 -999 ? O8 EPE A 207 >LYS~A 10 5.68 4.66 39.12 3.92 0.34 35.91 4.80 2.50 37.51 2 0 26.69 -999 ? C8 EPE A 207 >ASP~A 11 9.30 5.49 42.28 10.08 3.53 42.08 9.69 4.51 42.18 2 0 25.73 -999 ? C8 EPE A 207 >PHE~A 12 9.32 10.37 41.38 12.07 10.52 41.73 10.70 10.44 41.55 3 0 19.72 -999 ? C8 EPE A 207 >SER~A 13 3.42 9.14 41.34 3.13 6.91 40.42 3.28 8.02 40.88 2 0 20.82 -999 ? C8 EPE A 207 >LEU.A 14 3.71 7.13 45.68 3.31 5.16 44.86 3.51 6.14 45.27 3 0 23.29 -999 ? C8 EPE A 207 >GLU~A 22 10.38 14.18 42.43 9.04 14.66 44.00 9.71 14.42 43.21 2 0 16.75 -999 ? C8 EPE A 207 >GLU~A 23 16.85 18.25 45.29 16.69 19.82 46.67 16.77 19.03 45.98 2 0 19.76 -999 ? O8 EPE A 207 >GLN~A 24 17.05 13.97 48.64 16.75 13.08 50.55 16.90 13.52 49.60 2 0 25.45 -999 ? C7 EPE A 207 >ARG~A 25 16.14 7.96 42.87 13.40 6.60 43.05 14.77 7.28 42.96 2 0 24.59 -999 ? O8 EPE A 207 >ALA~A 26 18.33 13.56 40.84 17.65 14.90 40.53 17.99 14.23 40.68 2 0 19.91 -999 ? O8 EPE A 207 >LEU~A 27 21.29 15.03 44.38 23.07 16.08 45.06 22.18 15.56 44.72 3 0 24.54 -999 ? O8 EPE A 207 >THR~A 28 22.20 10.83 43.48 21.53 9.20 44.75 21.87 10.01 44.12 2 0 27.70 -999 ? O8 EPE A 207 >ASP~A 29 20.52 10.03 38.99 19.22 8.48 39.59 19.87 9.25 39.29 2 0 25.13 -999 ? O8 EPE A 207 >TYR~A 30 24.63 15.49 38.84 26.64 17.33 38.26 25.64 16.41 38.55 3 0 25.14 -999 ? O8 EPE A 207 >LYS~A 31 26.64 12.10 41.23 26.55 17.02 43.99 26.60 14.56 42.61 2 0 27.19 -999 ? O8 EPE A 207 >SER~A 32 26.60 8.47 40.13 25.20 7.82 41.99 25.90 8.15 41.06 2 0 30.24 -999 ? O8 EPE A 207 >ASN~A 33 25.58 8.48 35.67 24.55 6.85 36.57 25.06 7.66 36.12 2 0 29.47 -999 ? O8 EPE A 207 >ASP~A 34 29.82 10.06 32.66 30.42 11.49 31.23 30.12 10.77 31.95 2 0 31.41 -999 ? O8 EPE A 207 >GLY~A 35 27.42 13.95 32.50 27.54 13.31 32.06 27.48 13.63 32.28 1 0 27.50 -999 ? O8 EPE A 207 >GLU~A 36 27.62 11.46 26.77 29.16 10.68 25.51 28.39 11.07 26.14 2 0 31.80 -999 ? O8 EPE A 207 >TYR~A 37 24.19 7.76 31.09 22.18 5.89 31.51 23.19 6.82 31.30 3 0 28.55 -999 ? O8 EPE A 207 >ILE~A 38 23.30 12.58 33.89 22.35 12.02 34.81 22.83 12.30 34.35 3 0 24.50 -999 ? O8 EPE A 207 >LYS~A 39 21.99 14.72 29.96 27.06 18.30 28.77 24.52 16.51 29.36 2 0 25.86 -999 ? O8 EPE A 207 >LYS~A 40 20.29 12.09 27.79 24.63 9.15 24.25 22.46 10.62 26.02 2 0 29.56 -999 ? O8 EPE A 207 >LEU~A 41 19.07 10.23 32.12 18.07 8.86 33.48 18.57 9.55 32.80 3 0 23.32 -999 ? O8 EPE A 207 >ALA~A 42 17.35 14.33 31.77 18.28 15.50 32.08 17.82 14.91 31.92 2 0 19.06 -999 ? O8 EPE A 207 >PHE~A 43 17.16 16.59 26.96 18.39 19.07 26.83 17.77 17.83 26.89 3 0 18.62 -999 ? O8 EPE A 207 >LEU~A 44 14.70 10.28 28.38 13.63 8.53 27.64 14.17 9.41 28.01 3 0 21.66 -999 ? O8 EPE A 207 >ALA~A 45 12.66 12.17 31.79 13.46 12.13 33.09 13.06 12.15 32.44 2 0 18.15 -999 ? O8 EPE A 207 >TYR~A 46 11.60 18.17 30.61 9.94 20.38 30.77 10.77 19.28 30.69 3 0 11.35 -999 ? O8 EPE A 207 >GLN~A 47 10.30 14.61 26.01 9.23 16.46 25.90 9.76 15.54 25.96 2 0 14.70 -999 ? O8 EPE A 207 >SER.A 48 7.32 12.34 30.93 6.77 11.38 33.08 7.04 11.86 32.01 2 0 16.19 -999 ? O8 EPE A 207 >ASP.A 49 2.47 12.70 30.70 2.16 10.65 31.08 2.31 11.67 30.89 2 0 16.74 -999 ? C8 EPE A 207 >VAL~A 50 4.22 12.72 35.18 4.30 10.82 36.29 4.26 11.77 35.73 3 0 15.34 -999 ? C8 EPE A 207 >TYR~A 51 3.57 16.99 38.55 2.69 16.62 41.17 3.13 16.81 39.86 3 0 11.34 -999 ? C8 EPE A 207 >GLN~A 52 5.66 13.79 41.42 3.71 13.29 40.71 4.68 13.54 41.06 2 0 14.93 -999 ? C8 EPE A 207 >VAL~A 53 9.45 13.03 36.88 9.49 11.11 35.80 9.47 12.07 36.34 3 0 16.45 -999 ? O8 EPE A 207 >ARG~A 54 7.36 17.25 32.16 4.59 17.81 33.35 5.97 17.53 32.76 2 0 9.48 -999 ? O8 EPE A 207 >MET?A 55 10.71 17.94 38.43 7.63 18.32 41.43 9.17 18.13 39.93 2 0 12.11 -999 ? C8 EPE A 207 >TYR~A 56 14.28 12.93 38.29 16.35 11.28 37.42 15.32 12.11 37.86 3 0 19.60 -999 ? O8 EPE A 207 >ALA~A 57 14.56 16.11 35.22 13.72 15.93 33.94 14.14 16.02 34.58 2 0 15.29 -999 ? O8 EPE A 207 >VAL~A 58 14.67 19.85 35.90 13.27 21.50 35.60 13.97 20.67 35.75 3 0 12.56 -999 ? O8 EPE A 207 >PHE~A 59 15.71 19.03 41.29 14.13 20.18 43.31 14.92 19.61 42.30 3 0 16.08 -999 ? O8 EPE A 207 >LEU~A 60 18.80 16.13 35.86 19.20 14.06 36.42 19.00 15.09 36.14 3 0 19.87 -999 ? O8 EPE A 207 >PHE~A 61 17.30 20.14 32.55 16.01 18.69 30.52 16.65 19.41 31.53 3 0 15.61 -999 ? O8 EPE A 207 >GLY~A 62 20.29 22.51 37.14 20.64 21.84 36.83 20.47 22.18 36.99 1 0 17.83 -999 ? O8 EPE A 207 >TYR~A 63 22.22 18.71 39.68 20.48 18.50 41.82 21.35 18.60 40.75 3 0 21.02 -999 ? O8 EPE A 207 >LEU~A 64 23.35 19.14 33.29 23.20 16.98 33.24 23.27 18.06 33.27 3 0 21.92 -999 ? O8 EPE A 207 >SER.A 65 23.58 23.79 33.57 23.34 24.89 35.73 23.46 24.34 34.65 2 0 20.18 -999 ? O8 EPE A 207 >LYS.A 66 27.21 24.53 32.74 31.93 23.07 35.15 29.57 23.80 33.95 2 0 28.89 -999 ? O8 EPE A 207 >ASP~A 67 25.71 21.69 29.18 25.62 21.13 27.18 25.66 21.41 28.18 2 0 24.08 -999 ? O8 EPE A 207 >GLU~A 69 23.29 23.24 23.27 23.49 21.57 21.97 23.39 22.41 22.62 2 0 24.16 -999 ? O8 EPE A 207 >ILE~A 70 21.73 21.93 29.98 20.94 20.69 30.10 21.34 21.31 30.04 3 0 19.34 -999 ? O8 EPE A 207 >LEU~A 71 21.98 27.20 30.43 21.77 28.85 31.88 21.87 28.03 31.15 3 0 18.77 -999 ? O8 EPE A 207 >ILE~A 72 19.70 27.44 25.62 20.13 28.02 24.38 19.91 27.73 25.00 3 0 18.89 -999 ? O8 EPE A 207 >PHE~A 73 15.76 22.18 26.97 13.53 20.55 26.58 14.64 21.37 26.78 3 0 14.65 -999 ? O8 EPE A 207 >MET?A 74 15.80 25.66 30.74 18.84 24.75 33.66 17.32 25.20 32.20 2 0 15.68 -999 ? O8 EPE A 207 >ARG~A 75 17.39 32.25 28.04 18.56 32.11 25.21 17.98 32.18 26.63 2 0 18.28 -999 ? O8 EPE A 207 >ASP~A 76 13.91 28.67 25.24 15.09 30.38 24.99 14.50 29.53 25.12 2 0 15.18 -999 ? O8 EPE A 207 >GLU~A 77 12.82 24.34 24.87 11.42 25.11 23.45 12.12 24.73 24.16 2 0 13.50 -999 ? O8 EPE A 207 >VAL~A 78 11.22 24.33 30.61 12.48 23.36 32.12 11.85 23.85 31.37 3 0 9.52 -999 ? O8 EPE A 207 >SER~A 79 9.77 27.81 31.07 10.71 28.96 29.18 10.24 28.38 30.12 2 0 9.02 -999 ? O8 EPE A 207 >LYS~A 80 6.83 26.62 28.94 8.72 26.60 22.87 7.77 26.61 25.91 2 0 12.44 -999 ? O8 EPE A 207 >ASP~A 81 6.86 23.29 32.54 6.33 21.30 32.96 6.59 22.30 32.75 2 0 -6.68 -999 ? O8 EPE A 207s >ASN.A 82 1.27 22.84 31.49 0.74 23.52 29.56 1.00 23.18 30.52 2 0 -6.38 -999 ? O8 EPE A 207s >ASN~A 83 3.18 21.09 36.02 2.64 20.43 37.95 2.91 20.76 36.98 2 0 7.22 -999 ? C8 EPE A 207 >TRP~A 84 0.76 23.85 40.42 2.46 24.45 43.92 1.61 24.15 42.17 3 0 7.33 -999 ? C7 EPE A 207 >ARG~A 85 3.46 20.06 42.53 1.39 20.06 44.80 2.43 20.06 43.67 2 0 11.91 -999 ? C7 EPE A 207 >VAL~A 86 7.81 22.19 37.70 7.72 20.91 35.92 7.77 21.55 36.81 3 0 7.65 -999 ? O8 EPE A 207 >GLN~A 87 6.26 26.92 35.84 7.47 27.63 34.21 6.87 27.27 35.03 2 0 -4.14 -999 ? O8 EPE A 207s >GLU~A 88 7.22 26.21 42.72 7.45 28.31 43.00 7.34 27.26 42.86 2 0 8.79 -999 ? C7 EPE A 207 >VAL~A 89 11.98 23.64 40.24 12.12 21.46 40.36 12.05 22.55 40.30 3 0 11.65 -999 ? O8 EPE A 207 >LEU~A 90 12.03 26.42 36.23 12.94 27.28 34.40 12.49 26.85 35.31 3 0 9.22 -999 ? O8 EPE A 207 >ALA~A 91 13.69 28.64 39.69 12.64 29.34 40.55 13.17 28.99 40.12 2 0 11.49 -999 ? C7 EPE A 207 >LYS~A 92 15.73 26.32 41.90 12.65 25.61 46.16 14.19 25.97 44.03 2 0 14.80 -999 ? C7 EPE A 207 >ALA~A 93 17.67 25.00 38.92 17.10 24.21 37.76 17.38 24.60 38.34 2 0 14.53 -999 ? O8 EPE A 207 >PHE~A 94 18.05 30.87 36.93 19.35 33.19 36.16 18.70 32.03 36.54 3 0 16.28 -999 ? O8 EPE A 207 >ASP~A 95 18.89 29.25 42.56 20.00 29.92 44.25 19.45 29.58 43.40 2 0 19.70 -999 ? O8 EPE A 207 >GLU~A 96 22.26 23.63 40.69 23.10 23.27 42.61 22.68 23.45 41.65 2 0 21.86 -999 ? O8 EPE A 207 >PHE~A 97 23.56 28.63 35.55 25.32 30.02 33.90 24.44 29.32 34.72 3 0 21.20 -999 ? O8 EPE A 207 >CYH~A 98 24.23 30.77 39.31 22.17 32.54 38.55 23.20 31.66 38.93 2 0 20.07 -999 ? O8 EPE A 207 >LYS~A 99 25.81 29.03 42.33 22.96 26.30 46.42 24.38 27.67 44.37 2 0 23.18 -999 ? O8 EPE A 207 >LYS~A 100 27.81 26.71 40.06 27.25 21.91 38.62 27.53 24.31 39.34 2 0 24.88 -999 ? O8 EPE A 207 >ILE~A 101 28.87 29.94 36.67 28.13 30.31 35.76 28.50 30.12 36.22 3 0 25.41 -999 ? O8 EPE A 207 >GLU~A 102 31.72 31.84 41.74 33.74 32.43 41.49 32.73 32.13 41.62 2 0 31.72 -999 ? O8 EPE A 207 >TYR.A 103 25.21 34.12 43.10 23.62 32.07 43.96 24.42 33.10 43.53 3 0 23.83 -999 ? O8 EPE A 207 >LYS.A 104 29.00 37.73 40.06 32.47 41.95 39.26 30.74 39.84 39.66 2 0 32.45 -999 ? O3S EPE A 207 >LYS.A 105 29.94 35.80 36.93 35.44 32.78 38.02 32.69 34.29 37.47 2 0 32.80 -999 ? O8 EPE A 207 >ALA~A 106 26.30 34.83 36.33 25.51 33.87 37.24 25.91 34.35 36.78 2 0 23.36 -999 ? O8 EPE A 207 >LEU~A 107 26.05 39.69 36.53 26.00 40.46 38.58 26.02 40.07 37.55 3 0 25.61 -999 ? O3S EPE A 207 >PRO~A 108 27.36 38.34 32.28 25.24 38.42 32.98 26.30 38.38 32.63 3 0 25.48 -999 ? O3S EPE A 207 >ILE~A 109 23.17 33.99 32.60 23.57 32.81 32.22 23.37 33.40 32.41 3 0 21.03 -999 ? O8 EPE A 207 >ILE~A 110 21.17 37.30 36.66 21.34 37.25 38.00 21.26 37.27 37.33 3 0 20.48 -999 ? C6 EPE A 207 >ASP~A 111 21.21 40.97 32.79 21.88 42.18 34.38 21.54 41.58 33.59 2 0 21.73 -999 ? O3S EPE A 207 >GLU~A 112 19.50 36.15 28.40 20.85 34.71 27.68 20.17 35.43 28.04 2 0 20.10 -999 ? O8 EPE A 207 >TRP~A 113 18.47 33.37 31.68 16.60 30.18 33.01 17.53 31.78 32.35 3 0 15.01 -999 ? O8 EPE A 207 >LEU~A 114 15.90 39.90 34.58 16.05 39.68 36.73 15.97 39.79 35.66 3 0 15.51 -999 ? O3S EPE A 207 >LYS~A 115 14.58 40.58 30.26 18.73 42.96 31.58 16.65 41.77 30.92 2 0 19.11 -999 ? O3S EPE A 207 >SER~A 116 13.36 37.45 28.47 12.53 35.17 28.31 12.95 36.31 28.39 2 0 12.96 -999 ? O3S EPE A 207 >SER.A 117 9.97 37.59 26.76 9.80 36.28 24.71 9.89 36.93 25.74 2 0 12.81 -999 ? O3S EPE A 207 >ASN~A 118 9.31 33.03 28.40 7.96 31.46 28.99 8.64 32.25 28.70 2 0 8.09 -999 ? O8 EPE A 207 >LEU~A 119 5.62 35.88 31.95 3.87 34.66 32.46 4.74 35.27 32.20 3 0 -4.35 -999 ? O3S EPE A 207s >HIS~A 120 6.14 30.70 32.79 4.05 30.45 32.88 5.09 30.57 32.84 3 0 -4.02 -999 ? O8 EPE A 207s >THR~A 121 11.74 32.83 32.46 12.93 32.69 30.67 12.33 32.76 31.57 2 0 11.56 -999 ? O8 EPE A 207 >ARG~A 122 10.48 39.25 31.98 7.67 38.81 30.84 9.08 39.03 31.41 2 0 7.79 -999 ? O3S EPE A 207 >ARG~A 123 7.13 33.15 39.58 7.73 30.80 41.50 7.43 31.97 40.54 2 0 7.91 -999 ? C5 EPE A 207 >ALA~A 124 12.31 31.86 37.62 12.62 30.79 36.53 12.46 31.32 37.07 2 0 10.24 -999 ? O8 EPE A 207 >ALA~A 125 15.20 34.31 37.88 15.69 35.24 36.78 15.44 34.77 37.33 2 0 14.56 -999 ? C6 EPE A 207 >THR~A 126 13.38 36.66 40.26 12.03 38.31 39.94 12.71 37.48 40.10 2 0 12.75 -999 ? O3S EPE A 207 >GLU~A 127 10.29 32.19 43.31 9.31 33.36 44.78 9.80 32.77 44.05 2 0 11.71 -999 ? C5 EPE A 207 >GLY~A 128 15.00 31.51 42.26 15.06 32.25 42.56 15.03 31.88 42.41 1 0 14.59 -999 ? C5 EPE A 207 >LEU~A 129 18.20 35.06 42.98 19.44 34.63 41.23 18.82 34.84 42.11 3 0 18.60 -999 ? C5 EPE A 207 >ARG.A 130 11.56 35.58 46.22 9.58 35.26 48.55 10.57 35.42 47.38 2 0 15.28 -999 ? C5 EPE A 207 >ILE~A 131 16.63 36.05 50.71 16.18 36.54 51.96 16.41 36.29 51.33 3 0 21.78 -999 ? C5 EPE A 207 >TRP~A 132 16.39 37.91 44.62 18.04 39.09 41.26 17.22 38.50 42.94 3 0 18.52 -999 ? C6 EPE A 207 >THR~A 133 20.85 39.50 49.43 19.77 41.31 49.86 20.31 40.40 49.64 2 0 24.83 -999 ? O1S EPE A 207 >ASN~A 134 20.65 35.16 51.60 19.80 35.78 53.46 20.23 35.47 52.53 2 0 25.45 -999 ? C5 EPE A 207 >ARG~A 135 21.75 33.14 46.60 18.95 32.07 47.32 20.35 32.60 46.96 2 0 20.49 -999 ? C5 EPE A 207 >PRO.A 136 27.61 33.42 47.47 26.68 35.46 47.55 27.14 34.44 47.51 3 0 28.06 -999 ? C5 EPE A 207 >TYR.A 137 28.02 40.09 43.38 27.98 42.48 41.95 28.00 41.29 42.67 3 0 28.85 -999 ? O3S EPE A 207 >PHE.A 138 22.98 39.69 44.28 22.74 39.50 41.50 22.86 39.60 42.89 3 0 23.80 -999 ? C6 EPE A 207 >LYS.A 139 25.14 40.19 49.97 24.30 39.48 55.39 24.72 39.83 52.68 2 0 30.89 -999 ? C5 EPE A 207 >GLU.A 140 30.21 41.53 49.94 29.50 39.58 50.27 29.86 40.55 50.10 2 0 32.40 -999 ? C5 EPE A 207 >ASN~A 141 26.85 44.44 45.35 28.97 44.36 45.51 27.91 44.40 45.43 2 0 31.34 -999 ? O3S EPE A 207 >PRO~A 142 23.45 45.53 49.87 23.23 45.04 47.70 23.34 45.28 48.78 3 0 28.26 -999 ? O1S EPE A 207 >ASN~A 143 22.36 49.08 44.98 21.68 50.44 46.47 22.02 49.76 45.73 2 0 27.99 -999 ? O3S EPE A 207 >GLU~A 144 25.26 45.27 42.26 25.31 46.29 40.42 25.28 45.78 41.34 2 0 27.08 -999 ? O3S EPE A 207 >ALA~A 145 19.78 43.17 43.56 19.75 42.39 44.87 19.77 42.78 44.21 2 0 22.56 -999 ? O3S EPE A 207 >ILE~A 146 17.57 47.19 45.21 17.12 48.05 46.34 17.35 47.62 45.78 3 0 23.04 -999 ? O1S EPE A 207 >ARG~A 147 20.49 49.65 38.75 22.60 49.90 40.97 21.54 49.78 39.86 2 0 26.46 -999 ? O3S EPE A 207 >ARG~A 148 20.69 42.23 38.31 23.42 43.48 37.85 22.06 42.85 38.08 2 0 23.89 -999 ? O3S EPE A 207 >ILE~A 149 14.27 42.96 42.26 14.13 42.11 43.33 14.20 42.53 42.79 3 0 17.07 -999 ? O3S EPE A 207 >ALA~A 150 12.81 46.84 40.73 13.41 48.07 41.41 13.11 47.46 41.07 2 0 18.62 -999 ? O3S EPE A 207 >ASP~A 151 14.45 46.57 36.17 15.36 48.19 35.17 14.91 47.38 35.67 2 0 18.65 -999 ? O3S EPE A 207 >LEU.A 152 10.56 43.00 36.82 12.25 41.90 35.91 11.41 42.45 36.36 3 0 12.32 -999 ? O3S EPE A 207 >LYS.A 153 8.02 46.55 38.94 10.94 51.21 38.38 9.48 48.88 38.66 2 0 18.39 -999 ? O3S EPE A 207 >GLU.A 154 5.70 49.76 36.22 6.19 51.57 35.25 5.94 50.66 35.74 2 0 16.08 -999 ? O3S EPE A 207 >ASP.A 155 6.43 42.46 35.28 6.85 40.92 33.88 6.64 41.69 34.58 2 0 7.43 -999 ? O3S EPE A 207 >VAL.A 156 2.65 42.61 32.66 2.14 42.67 30.54 2.40 42.64 31.60 3 0 6.80 -999 ? O3S EPE A 207 >SER~A 157 2.57 39.26 34.48 3.20 36.94 34.82 2.88 38.10 34.65 2 0 -2.48 -999 ? O3S EPE A 207s >GLU~A 158 -0.62 39.02 39.88 -2.65 38.84 40.44 -1.63 38.93 40.16 2 0 -5.58 -999 ? O1S EPE A 207s >TYR~A 159 3.70 33.59 37.74 5.08 31.24 38.25 4.39 32.41 38.00 3 0 -3.72 -999 ? C6 EPE A 207s >VAL~A 160 6.14 37.88 37.88 7.32 38.43 36.14 6.73 38.15 37.01 3 0 6.78 -999 ? O3S EPE A 207 >ARG~A 161 2.83 43.65 38.29 0.20 42.42 37.29 1.51 43.04 37.79 2 0 6.17 -999 ? O1S EPE A 207 >LYS~A 162 4.32 38.81 43.05 -1.26 35.83 43.53 1.53 37.32 43.29 2 0 7.60 -999 ? O1S EPE A 207 >SER~A 163 7.88 37.49 42.82 8.98 35.51 41.99 8.43 36.50 42.41 2 0 10.46 -999 ? C6 EPE A 207 >VAL~A 164 9.27 41.02 42.33 9.28 42.40 40.60 9.27 41.71 41.46 3 0 12.18 -999 ? O1S EPE A 207 >GLY~A 165 7.30 42.36 45.30 7.82 41.73 45.25 7.56 42.04 45.27 1 0 13.37 -999 ? O1S EPE A 207 >ASN~A 166 7.92 38.10 47.50 5.86 37.89 48.00 6.89 38.00 47.75 2 0 13.53 -999 ? O1S EPE A 207 >ALA~A 167 12.05 39.67 46.45 12.57 39.51 45.01 12.31 39.59 45.73 2 0 15.96 -999 ? O1S EPE A 207 >LEU~A 168 11.38 44.49 46.68 12.06 45.65 44.97 11.72 45.07 45.83 3 0 17.74 -999 ? O1S EPE A 207 >ARG~A 169 7.06 40.82 51.85 4.34 41.66 53.01 5.70 41.24 52.43 2 0 18.36 -999 ? O1S EPE A 207 >ASP~A 170 13.59 38.90 50.58 12.27 37.37 49.97 12.93 38.13 50.28 2 0 18.57 -999 ? C5 EPE A 207 >ILE~A 171 16.09 43.15 49.67 16.94 43.24 48.54 16.52 43.19 49.10 3 0 22.33 -999 ? O1S EPE A 207 >SER~A 172 13.79 45.31 52.98 11.49 44.67 53.48 12.64 44.99 53.23 2 0 22.60 -999 ? O1S EPE A 207 >LYS~A 173 14.12 43.18 56.12 9.92 38.65 55.03 12.02 40.92 55.58 2 0 21.68 -999 ? O1S EPE A 207 >LYS.A 174 17.93 43.49 56.06 21.14 40.52 57.71 19.54 42.01 56.89 2 0 30.58 -999 ? C5 EPE A 207 >PHE~A 175 20.37 45.55 52.72 22.50 43.76 52.85 21.44 44.66 52.78 3 0 28.63 -999 ? O1S EPE A 207 >PRO~A 176 15.85 47.90 57.18 16.05 48.38 55.00 15.95 48.14 56.09 3 0 28.34 -999 ? O1S EPE A 207 >ASP~A 177 18.35 52.70 54.63 18.08 53.21 56.67 18.21 52.95 55.65 2 0 32.32 -999 ? O1S EPE A 207 >LEU~A 178 19.15 49.78 50.23 21.30 50.10 50.23 20.23 49.94 50.23 3 0 28.37 -999 ? O1S EPE A 207 >VAL~A 179 14.74 49.67 49.81 13.75 47.75 50.10 14.25 48.71 49.95 3 0 23.57 -999 ? O1S EPE A 207 >LYS~A 180 13.09 52.86 51.08 12.36 57.53 55.26 12.73 55.20 53.17 2 0 31.23 -999 ? O1S EPE A 207 >ILE~A 181 16.92 54.90 48.88 18.16 55.35 49.10 17.54 55.13 48.99 3 0 28.90 -999 ? O1S EPE A 207 >GLU~A 182 14.05 50.76 44.43 14.68 51.50 42.56 14.37 51.13 43.49 2 0 22.15 -999 ? O3S EPE A 207 >LEU~A 183 10.07 52.25 47.76 9.83 50.08 47.71 9.95 51.16 47.73 3 0 21.43 -999 ? O1S EPE A 207 >LYS~A 184 10.80 56.72 47.17 14.33 59.78 50.89 12.56 58.25 49.03 2 0 31.31 -999 ? O1S EPE A 207 >ASN~A 185 12.70 56.90 42.77 14.36 57.82 43.74 13.53 57.36 43.26 2 0 27.05 -999 ? O1S EPE A 207 >TRP.A 186 10.26 52.96 42.75 8.93 49.32 43.38 9.59 51.14 43.06 3 0 19.07 -999 ? O1S EPE A 207 >LYS.A 187 5.21 56.87 40.89 8.53 60.23 41.11 6.87 58.55 41.00 2 0 25.90 -999 ? O1S EPE A 207 >LEU.A 188 1.78 54.52 43.27 3.26 53.97 44.81 2.52 54.25 44.04 3 0 19.75 -999 ? O1S EPE A 207 >GLU.A 189 1.39 57.68 38.30 2.66 58.90 37.12 2.02 58.29 37.71 2 0 22.71 -999 ? O1S EPE A 207 >SER~A 190 -0.80 51.84 37.68 1.25 50.78 36.88 0.22 51.31 37.28 2 0 14.48 -999 ? O1S EPE A 207 >LYS~A 191 -2.35 48.74 39.22 -5.41 45.69 35.54 -3.88 47.21 37.38 2 0 10.62 -999 ? O1S EPE A 207 >GLU~A 192 0.79 46.12 35.93 -0.83 47.25 35.16 -0.02 46.68 35.55 2 0 10.89 -999 ? O1S EPE A 207 >ILE~A 193 4.00 50.34 39.74 4.44 51.71 39.96 4.22 51.03 39.85 3 0 15.76 -999 ? O1S EPE A 207 >ASN~A 194 -0.43 50.04 43.06 -0.48 52.03 43.79 -0.45 51.03 43.42 2 0 17.45 -999 ? O1S EPE A 207 >GLN~A 195 0.33 43.22 43.04 -0.52 41.85 41.65 -0.10 42.53 42.34 2 0 7.83 -999 ? O1S EPE A 207 >VAL~A 196 4.52 45.51 43.64 6.11 45.32 42.15 5.32 45.42 42.89 3 0 12.63 -999 ? O1S EPE A 207 >TYR~A 197 4.45 50.93 46.75 4.95 52.74 48.80 4.70 51.83 47.77 3 0 20.01 -999 ? O1S EPE A 207 >LYS~A 198 2.34 47.12 48.55 -0.76 49.17 51.40 0.79 48.15 49.98 2 0 19.99 -999 ? O1S EPE A 207 >LEU~A 199 4.52 42.87 47.59 3.16 41.22 47.12 3.84 42.04 47.36 3 0 13.30 -999 ? O1S EPE A 207 >ALA~A 200 7.70 45.61 48.87 8.35 46.19 47.63 8.03 45.90 48.25 2 0 17.45 -999 ? O1S EPE A 207 >SER~A 201 6.97 48.33 51.42 4.92 49.50 50.84 5.94 48.91 51.13 2 0 20.44 -999 ? O1S EPE A 207 >LYS.A 202 5.39 46.40 54.33 1.28 44.38 57.36 3.34 45.39 55.85 2 0 22.83 -999 ? O1S EPE A 207 >PHE.A 203 8.45 44.43 57.07 6.88 42.21 57.63 7.67 43.32 57.35 3 0 23.78 -999 ? O1S EPE A 207 >ILE.A 204 10.27 50.49 54.01 9.92 50.68 53.22 10.09 50.58 53.62 3 0 24.85 -999 ? O1S EPE A 207 >ASP.A 205 9.81 54.45 57.83 8.84 55.86 59.07 9.32 55.16 58.45 2 0 31.50 -999 ? O1S EPE A 207