REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 21-FEB-06 2G3W COMPND HYPOTHETICAL PROTEIN XAC2396; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: YAEQ PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI; SOURCE 3 ORGANISM_TAXID: 92829; SOURCE 4 STRAIN: STR. 306; SOURCE 5 GENE: XAC2396; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-3A AUTHOR C.S.FARAH,C.R.GUZZO,J.A.R.G.BARBOSA,R.A.P.NAGEM HET MSE A 17 13 HET MSE A 41 8 HET MSE A 123 8 HET MSE A 150 8 HET MSE A 163 8 HET MSE A 175 8 HET MSE B 17 8 HET MSE B 41 8 HET MSE B 123 8 HET MSE B 150 8 HET MSE B 163 8 HET MSE B 175 8 HET ACT A 801 4 HET ACT A 802 4 SITE 1 AC1 2 VAL A 7 ARG A 148 SITE 1 AC2 3 GLN A 147 ASP A 166 HIS A 167 >THR.A 4 15.77 36.27 5.98 13.69 36.71 5.42 14.73 36.49 5.70 2 0 11.99 -999 ? O ACT A 801 >ALA.A 5 17.97 36.55 9.13 19.46 36.89 9.19 18.71 36.72 9.16 2 0 10.34 -999 ? O ACT A 801 >THR^A 6 16.39 38.26 12.18 14.75 36.88 12.69 15.57 37.57 12.43 2 0 6.58 -999 ? O ACT A 801 >VAL^A 7 18.24 40.50 14.63 19.47 42.23 14.08 18.86 41.36 14.36 3 0 -5.24 -999 ? O ACT A 801s >ARG^A 8 16.44 36.66 18.67 13.76 35.44 17.90 15.10 36.05 18.29 2 0 7.44 -999 ? O ACT A 801 >ARG^A 9 17.72 46.10 20.97 16.36 48.13 19.08 17.04 47.11 20.02 2 0 4.95 -999 ? CH3 ACT A 801 >ALA^A 10 20.34 40.92 24.40 21.03 39.60 24.20 20.69 40.26 24.30 2 0 9.48 -999 ? CH3 ACT A 801 >GLU^A 11 19.80 44.76 27.14 21.12 46.08 26.07 20.46 45.42 26.61 2 0 10.50 -999 ? CH3 ACT A 801 >LEU^A 12 24.47 39.67 29.33 24.08 38.01 27.97 24.28 38.84 28.65 3 0 13.16 -999 ? OXT ACT A 802 >GLN^A 13 23.78 42.97 35.64 25.07 44.56 35.04 24.43 43.76 35.34 2 0 15.54 -999 ? OXT ACT A 802 >ILE^A 14 27.88 38.72 33.38 28.42 37.80 32.30 28.15 38.26 32.84 3 0 17.25 -999 ? OXT ACT A 802 >SER^A 15 27.91 38.01 37.96 26.29 39.38 39.07 27.10 38.70 38.51 2 0 17.62 -999 ? OXT ACT A 802 >ASP^A 16 31.47 35.39 36.30 32.41 33.49 36.00 31.94 34.44 36.15 2 0 22.91 -999 ? OXT ACT A 802 >MET?A 17 31.97 34.51 41.02 29.13 36.21 41.81 30.55 35.36 41.41 2 0 21.77 -999 ? OXT ACT A 802 >ASP.A 18 33.90 30.75 38.53 32.51 29.42 39.44 33.20 30.09 38.99 2 0 25.49 -999 ? OXT ACT A 802 >ARG.A 19 34.90 34.33 33.58 34.85 36.52 31.40 34.88 35.43 32.49 2 0 23.90 -999 ? OXT ACT A 802 >GLY.A 20 35.85 37.66 39.31 35.59 37.44 38.54 35.72 37.55 38.92 1 0 26.44 -999 ? OXT ACT A 802 >TYR^A 21 33.63 38.97 33.80 33.08 40.46 31.51 33.35 39.71 32.66 3 0 22.31 -999 ? OXT ACT A 802 >TYR^A 22 31.22 41.12 39.25 31.72 39.10 41.11 31.47 40.11 40.18 3 0 22.70 -999 ? OXT ACT A 802 >ALA^A 23 30.05 43.50 33.69 31.17 43.38 32.66 30.61 43.44 33.18 2 0 20.48 -999 ? OXT ACT A 802 >ASN^A 24 26.33 45.85 31.91 24.32 45.71 31.22 25.33 45.78 31.57 2 0 14.48 -999 ? OXT ACT A 802 >HIS^A 25 28.80 42.15 27.94 30.83 41.95 28.43 29.81 42.05 28.18 3 0 17.96 -999 ? CH3 ACT A 801 >SER^A 26 24.51 45.21 25.24 23.22 47.01 24.26 23.87 46.11 24.75 2 0 10.87 -999 ? CH3 ACT A 801 >LEU^A 27 24.66 41.19 22.89 26.48 40.46 23.81 25.57 40.82 23.35 3 0 12.03 -999 ? CH3 ACT A 801 >THR^A 28 22.99 42.23 18.96 22.73 43.79 17.46 22.86 43.01 18.21 2 0 7.47 -999 ? CH3 ACT A 801 >LEU^A 29 22.36 37.60 18.35 22.85 37.06 20.35 22.61 37.33 19.35 3 0 9.71 -999 ? CH3 ACT A 801 >ALA^A 30 21.75 38.09 13.79 22.60 38.47 12.58 22.18 38.28 13.18 2 0 10.09 -999 ? O ACT A 801 >GLN^A 31 18.20 33.00 14.52 16.62 32.49 15.86 17.41 32.75 15.19 2 0 10.43 -999 ? O ACT A 801 >HIS.A 32 22.11 31.44 8.97 22.48 30.78 7.01 22.30 31.11 7.99 3 0 16.21 -999 ? O ACT A 801 >PRO.A 33 18.09 32.81 6.95 18.28 31.72 8.89 18.19 32.27 7.92 3 0 13.68 -999 ? O ACT A 801 >SER.A 34 19.30 27.87 9.43 19.99 27.15 7.19 19.64 27.51 8.31 2 0 18.70 -999 ? O ACT A 801 >GLU.A 35 21.20 29.95 15.02 22.59 31.53 15.34 21.90 30.74 15.18 2 0 14.02 -999 ? O ACT A 801 >THR~A 36 17.37 27.35 15.61 17.78 25.27 16.09 17.57 26.31 15.85 2 0 17.73 -999 ? O ACT A 801 >ASP~A 37 14.74 29.36 19.14 13.45 30.49 17.92 14.09 29.93 18.53 2 0 12.29 -999 ? O ACT A 801 >GLU~A 38 18.78 24.46 21.58 18.44 22.33 21.50 18.61 23.39 21.54 2 0 20.64 -999 ? OXT ACT A 802 >ARG~A 39 23.38 26.74 15.65 26.12 28.09 15.25 24.75 27.42 15.45 2 0 18.91 -999 ? O ACT A 801 >LEU~A 40 19.79 31.96 18.59 19.92 34.14 18.54 19.85 33.05 18.56 3 0 11.43 -999 ? CH3 ACT A 801 >MET?A 41 20.47 30.90 22.90 18.08 33.07 23.76 19.27 31.98 23.33 2 0 11.39 -999 ? OXT ACT A 802 >VAL~A 42 23.49 28.56 23.21 23.98 26.41 22.92 23.74 27.48 23.07 3 0 18.82 -999 ? OXT ACT A 802 >ARG~A 43 25.95 32.11 17.70 24.54 34.61 16.52 25.24 33.36 17.11 2 0 12.89 -999 ? CH3 ACT A 801 >LEU~A 44 22.69 34.30 23.99 22.09 36.18 24.83 22.39 35.24 24.41 3 0 12.77 -999 ? CH3 ACT A 801 >LEU~A 45 24.37 30.18 27.01 24.64 28.97 28.83 24.50 29.58 27.92 3 0 16.84 -999 ? OXT ACT A 802 >ALA~A 46 28.49 31.05 25.20 28.78 30.50 23.82 28.64 30.78 24.51 2 0 19.70 -999 ? CH3 ACT A 801 >PHE~A 47 28.91 37.18 24.38 30.17 39.69 24.43 29.54 38.43 24.41 3 0 16.54 -999 ? CH3 ACT A 801 >ALA~A 48 28.15 34.89 28.83 26.76 34.65 29.41 27.45 34.77 29.12 2 0 16.36 -999 ? OXT ACT A 802 >LEU~A 49 30.36 30.52 29.26 28.92 29.09 30.09 29.64 29.81 29.67 3 0 20.93 -999 ? OXT ACT A 802 >PHE~A 50 34.03 31.52 26.90 34.41 28.84 27.38 34.22 30.18 27.14 3 0 24.99 -999 ? CH3 ACT A 801 >ALA.A 51 32.40 37.33 28.15 31.16 37.86 28.88 31.78 37.60 28.52 2 0 20.07 -999 ? OXT ACT A 802 >ASP.A 52 36.03 39.26 26.54 37.95 39.98 26.85 36.99 39.62 26.70 2 0 24.69 -999 ? CH3 ACT A 801 >ASP.A 53 35.92 44.69 26.76 37.99 44.21 26.80 36.95 44.45 26.78 2 0 24.47 -999 ? CH3 ACT A 801 >ARG.A 54 40.12 43.56 23.27 41.39 42.66 20.63 40.75 43.11 21.95 2 0 26.29 -999 ? CH3 ACT A 801 >LEU.A 55 33.81 38.10 23.56 33.51 35.93 23.46 33.66 37.01 23.51 3 0 20.33 -999 ? CH3 ACT A 801 >GLU^A 56 33.48 41.41 18.54 34.87 42.41 17.34 34.18 41.91 17.94 2 0 19.64 -999 ? CH3 ACT A 801 >PHE^A 57 27.88 37.04 18.63 26.59 36.88 21.15 27.24 36.96 19.89 3 0 13.80 -999 ? CH3 ACT A 801 >GLY.A 58 31.59 35.57 14.14 30.75 35.47 14.40 31.17 35.52 14.27 1 0 18.49 -999 ? CH3 ACT A 801 >ARG.A 59 30.37 37.55 9.83 32.27 38.41 7.58 31.32 37.98 8.71 2 0 20.45 -999 ? CH3 ACT A 801 >GLY.A 60 30.35 30.93 11.64 29.63 31.20 11.38 29.99 31.07 11.51 1 0 20.52 -999 ? O ACT A 801 >LEU.A 61 25.78 30.09 10.39 24.92 28.49 11.62 25.35 29.29 11.00 3 0 18.15 -999 ? O ACT A 801 >SER.A 62 28.38 31.21 6.44 27.08 33.07 5.64 27.73 32.14 6.04 2 0 19.14 -999 ? O ACT A 801 >ASN.A 63 30.06 27.04 7.78 29.99 26.03 5.91 30.02 26.54 6.85 2 0 25.08 -999 ? O ACT A 801 >ASP.A 64 34.32 29.36 4.49 33.61 31.34 4.23 33.97 30.35 4.36 2 0 25.43 -999 ? O ACT A 801 >ASP.A 65 37.02 32.15 7.02 38.63 33.11 8.05 37.83 32.63 7.53 2 0 27.34 -999 ? CH3 ACT A 801 >GLU.A 66 34.84 34.54 10.26 33.92 36.47 10.36 34.38 35.50 10.31 2 0 21.25 -999 ? CH3 ACT A 801 >PRO.A 67 35.50 32.12 15.50 34.32 30.97 13.98 34.91 31.54 14.74 3 0 23.18 -999 ? CH3 ACT A 801 >ASP.A 68 29.80 30.20 16.94 29.22 28.69 15.60 29.51 29.44 16.27 2 0 20.45 -999 ? CH3 ACT A 801 >LEU^A 69 32.00 33.50 20.12 30.19 32.86 21.14 31.10 33.18 20.63 3 0 19.10 -999 ? CH3 ACT A 801 >TRP^A 70 35.22 36.35 16.31 37.39 35.67 13.08 36.31 36.01 14.69 3 0 22.54 -999 ? CH3 ACT A 801 >ARG^A 71 39.51 38.47 24.17 39.63 35.78 25.65 39.57 37.13 24.91 2 0 26.75 -999 ? CH3 ACT A 801 >ARG^A 72 39.62 38.22 14.95 37.34 39.84 13.67 38.48 39.03 14.31 2 0 22.74 -999 ? CH3 ACT A 801 >ASP.A 73 45.71 39.72 19.88 46.71 39.17 18.08 46.21 39.45 18.98 2 0 31.73 -999 ? CH3 ACT A 801 >TYR.A 74 44.96 45.21 20.84 43.22 45.72 22.98 44.09 45.47 21.91 3 0 29.19 -999 ? CH3 ACT A 801 >THR.A 75 46.96 42.60 15.55 48.93 41.93 16.23 47.95 42.26 15.89 2 0 33.73 -999 ? CH3 ACT A 801 >GLY.A 76 44.02 40.40 14.50 44.49 40.03 15.00 44.26 40.22 14.75 1 0 29.10 -999 ? CH3 ACT A 801 >ASP.A 77 46.55 36.40 15.57 47.76 37.08 13.97 47.15 36.74 14.77 2 0 33.33 -999 ? CH3 ACT A 801 >PRO^A 78 41.98 33.84 15.19 42.99 35.01 16.80 42.49 34.43 16.00 3 0 28.74 -999 ? CH3 ACT A 801 >ASP^A 79 43.01 35.69 22.07 44.84 36.66 22.30 43.92 36.18 22.19 2 0 30.69 -999 ? CH3 ACT A 801 >LEU^A 80 39.12 33.09 22.79 37.95 32.00 24.27 38.54 32.55 23.53 3 0 26.35 -999 ? CH3 ACT A 801 >TRP^A 81 37.38 28.23 16.72 38.50 29.86 13.33 37.94 29.05 15.02 3 0 27.02 -999 ? CH3 ACT A 801 >ILE^A 82 33.69 29.92 21.04 33.25 30.29 22.36 33.47 30.10 21.70 3 0 22.94 -999 ? CH3 ACT A 801 >ASP^A 83 33.35 25.62 16.88 34.28 26.61 15.22 33.82 26.11 16.05 2 0 25.55 -999 ? CH3 ACT A 801 >LEU^A 84 27.89 26.17 18.88 27.74 28.12 19.85 27.82 27.14 19.36 3 0 20.67 -999 ? CH3 ACT A 801 >GLY.A 85 27.99 21.79 18.25 28.72 21.89 18.57 28.36 21.84 18.41 1 0 25.16 -999 ? CH3 ACT A 801 >GLN.A 86 29.21 16.51 17.75 27.52 16.42 19.00 28.36 16.47 18.38 2 0 29.63 -999 ? O ACT A 801 >PRO.A 87 33.51 21.34 16.51 32.21 19.99 15.31 32.86 20.67 15.91 3 0 28.87 -999 ? CH3 ACT A 801 >ASP~A 88 34.05 17.14 11.09 35.01 18.46 9.68 34.53 17.80 10.38 2 0 32.60 -999 ? O ACT A 801 >GLU~A 89 37.77 14.03 13.36 38.80 12.24 13.25 38.29 13.14 13.30 2 0 39.28 -999 ? O ACT A 801 >SER~A 90 39.30 18.93 10.50 39.59 17.78 8.40 39.44 18.36 9.45 2 0 36.42 -999 ? O ACT A 801 >ARG~A 91 35.89 24.45 12.22 34.78 27.22 11.35 35.33 25.84 11.79 2 0 26.19 -999 ? CH3 ACT A 801 >VAL~A 92 38.72 20.84 15.46 38.10 19.60 17.14 38.41 20.22 16.30 3 0 32.85 -999 ? CH3 ACT A 801 >ARG~A 93 44.69 18.67 11.77 42.59 17.73 9.72 43.64 18.20 10.74 2 0 38.39 -999 ? O ACT A 801 >LYS~A 94 42.00 23.96 12.38 38.40 28.21 9.29 40.20 26.08 10.83 2 0 28.98 -999 ? CH3 ACT A 801 >ALA~A 95 40.70 25.77 15.45 39.39 25.53 16.18 40.04 25.65 15.81 2 0 30.11 -999 ? CH3 ACT A 801 >CYH~A 96 43.55 24.51 17.70 42.67 22.62 19.55 43.11 23.56 18.63 2 0 34.49 -999 ? CH3 ACT A 801 >ASN~A 97 46.27 24.57 13.79 48.02 25.02 12.73 47.14 24.80 13.26 2 0 37.93 -999 ? CH3 ACT A 801 >ARG~A 98 43.60 30.43 11.41 41.01 30.70 9.76 42.30 30.57 10.59 2 0 29.83 -999 ? CH3 ACT A 801 >SER~A 99 43.92 30.19 17.87 41.94 30.79 19.31 42.93 30.49 18.59 2 0 29.58 -999 ? CH3 ACT A 801 >ARG.A 100 46.65 33.02 24.15 44.07 32.06 25.59 45.36 32.54 24.87 2 0 31.97 -999 ? CH3 ACT A 801 >GLU^A 101 41.22 28.13 24.94 40.44 28.79 26.85 40.83 28.46 25.90 2 0 30.54 -999 ? CH3 ACT A 801 >ALA^A 102 39.96 26.72 20.97 40.35 25.69 19.90 40.15 26.20 20.43 2 0 30.83 -999 ? CH3 ACT A 801 >VAL^A 103 36.61 25.83 22.53 35.96 27.11 24.25 36.29 26.47 23.39 3 0 27.62 -999 ? CH3 ACT A 801 >VAL^A 104 33.99 23.34 21.39 34.24 21.55 20.17 34.11 22.44 20.78 3 0 28.41 -999 ? CH3 ACT A 801 >ILE^A 105 30.04 25.13 23.37 29.73 26.28 24.29 29.89 25.71 23.83 3 0 23.81 -999 ? CH3 ACT A 801 >GLY^A 106 28.37 20.66 22.51 28.27 21.12 23.18 28.32 20.89 22.85 1 0 26.70 -999 ? OXT ACT A 802 >TYR.A 107 23.99 22.48 22.11 23.52 23.54 19.57 23.75 23.01 20.84 3 0 22.38 -999 ? CH3 ACT A 801 >GLY.A 108 23.26 17.48 21.48 23.47 17.25 22.23 23.36 17.36 21.86 1 0 26.67 -999 ? OXT ACT A 802 >GLY~A 109 22.47 14.94 24.20 23.17 14.86 23.69 22.82 14.90 23.94 1 0 27.81 -999 ? OXT ACT A 802 >GLN~A 110 21.71 9.57 24.29 22.80 7.97 25.21 22.26 8.77 24.75 2 0 34.13 -999 ? OXT ACT A 802 >ALA~A 111 25.04 12.39 20.14 24.42 13.30 19.10 24.73 12.85 19.62 2 0 31.26 -999 ? O ACT A 801 >THR~A 112 27.45 14.60 22.07 27.34 16.69 22.61 27.40 15.64 22.34 2 0 29.06 -999 ? OXT ACT A 802 >GLU~A 113 28.04 9.94 26.30 26.88 9.17 27.86 27.46 9.56 27.08 2 0 34.39 -999 ? OXT ACT A 802 >THR~A 114 28.84 9.36 21.75 26.97 9.01 20.83 27.91 9.19 21.29 2 0 35.70 -999 ? OXT ACT A 802 >TRP~A 115 32.10 14.37 17.78 33.55 16.84 20.49 32.82 15.60 19.14 3 0 32.98 -999 ? CH3 ACT A 801 >TRP~A 116 34.10 11.91 26.29 36.91 14.61 25.64 35.50 13.26 25.96 3 0 36.14 -999 ? OXT ACT A 802 >LYS~A 117 33.65 8.72 23.72 29.55 5.73 27.65 31.60 7.22 25.69 2 0 38.68 -999 ? OXT ACT A 802 >LYS~A 118 34.49 8.18 20.00 34.54 6.59 14.88 34.52 7.39 17.44 2 0 41.46 -999 ? O ACT A 801 >HIS~A 119 35.88 12.07 17.86 34.74 11.84 16.12 35.31 11.96 16.99 3 0 37.33 -999 ? O ACT A 801 >ALA~A 120 38.28 11.35 23.50 37.67 10.71 24.70 37.98 11.03 24.10 2 0 39.61 -999 ? OXT ACT A 802 >ASN~A 121 41.52 7.85 22.42 43.49 7.07 22.28 42.51 7.46 22.35 2 0 46.29 -999 ? CH3 ACT A 801 >ALA~A 122 42.10 11.43 19.82 41.21 11.47 18.59 41.66 11.45 19.21 2 0 41.21 -999 ? CH3 ACT A 801 >MET?A 123 41.46 14.89 21.28 37.62 16.46 20.65 39.54 15.68 20.96 2 0 35.19 -999 ? CH3 ACT A 801 >GLY~A 124 44.14 14.36 23.97 44.20 14.52 23.17 44.17 14.44 23.57 1 0 41.48 -999 ? CH3 ACT A 801 >ARG.A 125 44.90 14.81 17.49 45.66 15.27 14.52 45.28 15.04 16.00 2 0 41.60 -999 ? CH3 ACT A 801 >TYR.A 126 43.98 18.99 19.62 43.34 18.19 17.05 43.66 18.59 18.34 3 0 37.77 -999 ? CH3 ACT A 801 >ARG.A 127 50.69 22.28 24.42 51.13 23.13 27.38 50.91 22.70 25.90 2 0 42.34 -999 ? CH3 ACT A 801 >ASN.A 128 45.68 25.29 22.91 45.46 24.84 20.82 45.57 25.07 21.86 2 0 35.62 -999 ? CH3 ACT A 801 >LEU^A 129 41.42 21.50 22.67 39.69 20.78 21.59 40.55 21.14 22.13 3 0 34.03 -999 ? CH3 ACT A 801 >ARG^A 130 36.99 26.09 28.08 38.85 26.11 30.53 37.92 26.10 29.30 2 0 30.81 -999 ? OXT ACT A 802 >VAL^A 131 35.61 20.93 25.32 35.58 19.15 23.99 35.59 20.04 24.66 3 0 31.78 -999 ? OXT ACT A 802 >ILE^A 132 32.16 22.87 27.90 32.08 24.18 28.14 32.12 23.53 28.02 3 0 26.51 -999 ? OXT ACT A 802 >GLU^A 133 27.57 17.78 27.07 27.42 15.72 26.76 27.49 16.75 26.92 2 0 29.13 -999 ? OXT ACT A 802 >LEU.A 134 25.25 22.64 27.41 26.38 24.51 27.48 25.82 23.57 27.45 3 0 21.91 -999 ? OXT ACT A 802 >ASP~A 135 21.93 19.31 30.35 20.24 17.99 30.47 21.09 18.65 30.41 2 0 23.53 -999 ? OXT ACT A 802 >SER~A 136 20.38 19.17 25.89 19.82 16.84 25.52 20.10 18.00 25.70 2 0 24.84 -999 ? OXT ACT A 802 >GLN~A 137 16.09 17.19 28.28 15.38 15.79 29.68 15.74 16.49 28.98 2 0 24.28 -999 ? OXT ACT A 802 >ALA~A 138 18.40 22.63 29.49 19.58 22.72 30.50 18.99 22.67 30.00 2 0 18.95 -999 ? OXT ACT A 802 >THR~A 139 19.50 24.23 26.19 21.22 23.10 25.40 20.36 23.66 25.79 2 0 19.92 -999 ? OXT ACT A 802 >GLU~A 140 14.33 21.89 23.62 13.80 19.92 23.18 14.07 20.91 23.40 2 0 21.08 -999 ? OXT ACT A 802 >ALA~A 141 14.40 25.05 27.70 14.55 24.62 29.16 14.47 24.84 28.43 2 0 15.48 -999 ? OXT ACT A 802 >LEU~A 142 18.26 28.05 27.29 19.53 29.69 27.99 18.89 28.87 27.64 3 0 13.49 -999 ? OXT ACT A 802 >GLY~A 143 15.73 28.28 23.51 15.27 28.30 24.19 15.50 28.29 23.85 1 0 13.89 -999 ? OXT ACT A 802 >ALA~A 144 12.14 28.68 24.67 11.32 27.64 25.47 11.73 28.16 25.07 2 0 12.88 -999 ? OXT ACT A 802 >LEU.A 145 14.01 31.93 27.72 13.43 31.23 29.73 13.72 31.58 28.73 3 0 8.60 -999 ? OXT ACT A 802 >ILE.A 146 14.45 32.88 21.91 14.56 32.73 20.51 14.50 32.81 21.21 3 0 11.16 -999 ? O ACT A 801 >GLN.A 147 11.53 36.98 24.86 11.01 38.18 26.52 11.27 37.58 25.69 2 0 -3.77 -999 ? OXT ACT A 802s >ARG.A 148 12.59 39.53 17.02 11.36 39.78 14.21 11.97 39.66 15.62 2 0 -4.20 -999 ? O ACT A 801s >GLY^A 149 14.56 42.11 23.03 14.26 41.35 23.24 14.41 41.73 23.13 1 0 5.50 -999 ? CH3 ACT A 801 >MET?A 150 16.10 40.14 25.90 16.92 36.39 24.06 16.51 38.27 24.98 2 0 8.86 -999 ? OXT ACT A 802 >ARG^A 151 15.79 44.44 29.89 16.36 46.87 28.07 16.07 45.66 28.98 2 0 8.58 -999 ? O ACT A 802 >PHE^A 152 18.89 36.33 29.90 16.99 34.79 28.54 17.94 35.56 29.22 3 0 7.95 -999 ? OXT ACT A 802 >ASP^A 153 20.41 38.11 36.14 19.64 40.00 36.63 20.02 39.05 36.39 2 0 10.76 -999 ? OXT ACT A 802 >VAL^A 154 23.68 35.47 34.27 24.48 35.02 32.28 24.08 35.25 33.28 3 0 14.02 -999 ? OXT ACT A 802 >ILE^A 155 23.77 34.11 38.79 23.11 34.48 39.86 23.44 34.29 39.33 3 0 16.33 -999 ? OXT ACT A 802 >ILE^A 156 28.92 32.14 36.38 29.40 31.81 35.05 29.16 31.98 35.71 3 0 20.38 -999 ? OXT ACT A 802 >GLN.A 157 26.85 30.56 41.91 25.91 30.69 43.84 26.38 30.62 42.87 2 0 22.14 -999 ? OXT ACT A 802 >ASP.A 158 30.28 26.40 42.69 30.89 27.34 44.47 30.59 26.87 43.58 2 0 27.41 -999 ? OXT ACT A 802 >GLY.A 159 30.77 25.98 37.75 30.14 26.27 38.15 30.45 26.12 37.95 1 0 25.14 -999 ? OXT ACT A 802 >GLU^A 160 24.74 26.13 38.84 23.72 25.65 40.60 24.23 25.89 39.72 2 0 21.63 -999 ? OXT ACT A 802 >VAL^A 161 25.28 28.92 35.44 25.46 29.12 33.21 25.37 29.02 34.32 3 0 18.27 -999 ? OXT ACT A 802 >GLN^A 162 19.78 31.25 37.16 18.81 31.81 38.99 19.30 31.53 38.07 2 0 14.20 -999 ? OXT ACT A 802 >MET?A 163 20.25 32.53 33.04 22.31 33.21 30.14 21.28 32.87 31.59 2 0 12.87 -999 ? OXT ACT A 802 >LEU^A 164 17.74 34.84 36.18 16.21 35.26 37.66 16.98 35.05 36.92 3 0 10.17 -999 ? OXT ACT A 802 >ALA^A 165 14.96 36.78 32.91 14.75 36.50 31.45 14.85 36.64 32.18 2 0 5.01 -999 ? OXT ACT A 802 >ASP.A 166 11.00 39.60 33.73 12.21 41.25 34.40 11.61 40.42 34.07 2 0 -4.49 -999 ? O ACT A 802s >HIS.A 167 10.68 35.74 29.53 12.38 35.63 28.29 11.53 35.69 28.91 3 0 -4.17 -999 ? OXT ACT A 802s >GLY^A 168 11.67 32.35 32.94 12.17 33.00 33.08 11.92 32.67 33.01 1 0 7.95 -999 ? OXT ACT A 802 >SER^A 169 14.90 30.78 34.15 16.41 30.82 36.04 15.66 30.80 35.10 2 0 11.97 -999 ? OXT ACT A 802 >VAL^A 170 17.26 27.94 33.24 17.28 27.07 31.20 17.27 27.50 32.22 3 0 13.82 -999 ? OXT ACT A 802 >THR^A 171 20.12 26.66 35.43 20.27 27.17 37.57 20.20 26.91 36.50 2 0 17.24 -999 ? OXT ACT A 802 >LEU^A 172 22.67 24.09 32.69 23.01 25.43 31.02 22.84 24.76 31.85 3 0 19.04 -999 ? OXT ACT A 802 >THR.A 173 26.25 22.99 35.06 26.72 22.16 36.96 26.49 22.58 36.01 2 0 24.45 -999 ? OXT ACT A 802 >PRO.A 174 28.30 25.21 32.01 28.13 23.04 32.59 28.21 24.12 32.30 3 0 23.19 -999 ? OXT ACT A 802 >MET?A 175 30.52 19.62 31.86 31.77 16.69 33.15 31.15 18.15 32.51 2 0 31.04 -999 ? OXT ACT A 802 >VAL.A 176 34.23 20.15 31.14 35.46 21.78 31.85 34.84 20.96 31.49 3 0 30.21 -999 ? OXT ACT A 802 >ARG.A 177 32.98 15.32 28.15 30.63 13.45 28.82 31.81 14.39 28.49 2 0 32.69 -999 ? OXT ACT A 802 >GLN.A 178 40.81 18.39 26.79 41.54 17.42 25.03 41.17 17.90 25.91 2 0 37.71 -999 ? CH3 ACT A 801 >ALA.A 179 40.60 22.03 29.42 40.21 22.56 30.81 40.41 22.30 30.11 2 0 33.71 -999 ? OXT ACT A 802 >PRO.A 180 42.81 25.36 27.45 43.29 23.43 28.56 43.05 24.39 28.00 3 0 35.24 -999 ? CH3 ACT A 801 >ALA.A 181 46.89 22.92 30.93 48.23 22.25 30.64 47.56 22.58 30.78 2 0 40.94 -999 ? OXT ACT A 802 >GLU.A 182 46.09 24.87 35.32 44.29 25.13 36.41 45.19 25.00 35.87 2 0 36.73 -999 ? OXT ACT A 802 >THR.B 4 63.43 21.75 44.68 64.23 22.49 46.57 63.83 22.12 45.63 2 0 58.17 -999 ? OXT ACT A 802 >ALA.B 5 60.04 20.14 43.95 58.67 20.81 43.89 59.35 20.47 43.92 2 0 52.95 -999 ? OXT ACT A 802 >THR^B 6 60.24 17.61 41.06 61.26 15.68 40.86 60.75 16.65 40.96 2 0 56.58 -999 ? OXT ACT A 802 >VAL^B 7 57.77 18.73 38.39 58.66 20.39 37.20 58.22 19.56 37.79 3 0 51.74 -999 ? OXT ACT A 802 >ARG^B 8 57.30 13.35 38.40 59.68 11.45 38.87 58.49 12.40 38.64 2 0 56.81 -999 ? OXT ACT A 802 >ARG^B 9 54.52 19.42 31.97 56.06 21.99 32.77 55.29 20.70 32.37 2 0 48.31 -999 ? OXT ACT A 802 >ALA^B 10 50.46 13.81 33.66 50.02 13.16 34.94 50.24 13.49 34.30 2 0 47.29 -999 ? OXT ACT A 802 >GLU^B 11 48.58 14.84 29.14 49.48 14.77 27.22 49.03 14.80 28.18 2 0 45.66 -999 ? CH3 ACT A 801 >LEU^B 12 44.25 11.35 33.54 45.35 10.76 35.35 44.80 11.06 34.44 3 0 44.38 -999 ? OXT ACT A 802 >GLN^B 13 43.90 9.94 27.92 44.06 11.58 26.60 43.98 10.76 27.26 2 0 43.38 -999 ? OXT ACT A 802 >ILE^B 14 39.10 9.72 33.33 39.23 10.00 34.76 39.17 9.86 34.04 3 0 41.10 -999 ? OXT ACT A 802 >SER^B 15 36.52 6.51 31.26 37.18 6.22 28.98 36.85 6.37 30.12 2 0 42.39 -999 ? OXT ACT A 802 >ASP^B 16 34.94 6.86 35.69 34.29 6.10 37.58 34.61 6.48 36.64 2 0 41.48 -999 ? OXT ACT A 802 >MET?B 17 31.60 3.69 33.97 33.35 3.10 31.05 32.48 3.39 32.51 2 0 42.80 -999 ? OXT ACT A 802 >ASP.B 18 31.69 3.20 38.84 32.36 1.20 38.62 32.03 2.20 38.73 2 0 44.79 -999 ? OXT ACT A 802 >ARG.B 19 33.74 9.08 39.67 34.60 11.99 39.21 34.17 10.53 39.44 2 0 37.44 -999 ? OXT ACT A 802 >GLY.B 20 29.53 7.91 34.35 30.12 8.26 34.83 29.83 8.09 34.59 1 0 36.96 -999 ? OXT ACT A 802 >TYR^B 21 34.14 11.90 35.42 35.84 14.14 35.22 34.99 13.02 35.32 3 0 36.15 -999 ? OXT ACT A 802 >TYR^B 22 32.83 9.06 29.93 31.45 6.73 30.48 32.14 7.90 30.21 3 0 38.09 -999 ? OXT ACT A 802 >ALA^B 23 37.06 13.54 30.55 36.91 14.44 31.83 36.98 13.99 31.19 2 0 36.10 -999 ? OXT ACT A 802 >ASN^B 24 41.19 14.49 28.26 40.72 13.04 26.84 40.96 13.76 27.55 2 0 39.90 -999 ? OXT ACT A 802 >HIS^B 25 41.35 15.63 34.18 39.37 15.92 34.85 40.36 15.78 34.51 3 0 37.99 -999 ? OXT ACT A 802 >SER^B 26 46.37 17.71 31.82 46.31 18.04 29.42 46.34 17.88 30.62 2 0 41.26 -999 ? OXT ACT A 802 >LEU^B 27 47.50 16.97 36.24 45.46 16.26 36.78 46.48 16.62 36.51 3 0 42.67 -999 ? OXT ACT A 802 >THR^B 28 51.21 19.31 36.84 52.38 20.92 35.97 51.79 20.12 36.40 2 0 45.65 -999 ? OXT ACT A 802 >LEU^B 29 51.98 16.22 40.46 50.31 14.83 40.01 51.15 15.53 40.24 3 0 47.81 -999 ? OXT ACT A 802 >ALA^B 30 55.01 18.93 42.32 54.95 20.26 43.03 54.98 19.59 42.68 2 0 49.63 -999 ? OXT ACT A 802 >GLN^B 31 57.59 13.52 43.97 58.42 11.86 42.95 58.00 12.69 43.46 2 0 56.33 -999 ? OXT ACT A 802 >HIS.B 32 57.44 17.98 49.74 58.36 18.84 51.43 57.90 18.41 50.58 3 0 55.31 -999 ? OXT ACT A 802 >PRO.B 33 61.94 18.51 48.01 60.78 16.60 47.97 61.36 17.55 47.99 3 0 57.72 -999 ? OXT ACT A 802 >SER.B 34 59.95 14.06 50.86 60.60 15.46 52.77 60.28 14.76 51.82 2 0 59.57 -999 ? OXT ACT A 802 >GLU.B 35 55.09 12.58 47.32 53.65 13.92 46.59 54.37 13.25 46.95 2 0 52.37 -999 ? OXT ACT A 802 >THR~B 36 58.08 8.93 47.52 57.51 7.55 49.07 57.80 8.24 48.29 2 0 59.53 -999 ? OXT ACT A 802 >ASP~B 37 58.27 7.09 43.03 60.05 8.11 42.48 59.16 7.60 42.75 2 0 59.50 -999 ? OXT ACT A 802 >GLU~B 38 53.56 3.83 46.72 53.67 2.57 48.42 53.62 3.20 47.57 2 0 59.36 -999 ? OXT ACT A 802 >ARG~B 39 52.89 10.99 48.97 50.97 12.62 50.65 51.93 11.81 49.81 2 0 52.37 -999 ? OXT ACT A 802 >LEU~B 40 54.33 10.92 43.23 53.71 12.52 41.83 54.02 11.72 42.53 3 0 52.68 -999 ? OXT ACT A 802 >MET?B 41 51.36 7.97 41.94 52.82 8.04 39.07 52.09 8.00 40.51 2 0 53.08 -999 ? OXT ACT A 802 >VAL~B 42 48.81 7.28 44.67 48.58 6.21 46.58 48.69 6.75 45.63 3 0 52.32 -999 ? OXT ACT A 802 >ARG~B 43 49.24 14.35 46.01 51.30 16.17 44.56 50.27 15.26 45.28 2 0 48.73 -999 ? OXT ACT A 802 >LEU~B 44 48.83 10.57 39.82 48.79 11.01 37.68 48.81 10.79 38.75 3 0 48.25 -999 ? OXT ACT A 802 >LEU~B 45 45.79 6.53 41.75 44.64 4.68 41.75 45.21 5.61 41.75 3 0 49.59 -999 ? OXT ACT A 802 >ALA~B 46 43.35 9.74 43.83 43.94 10.39 45.07 43.64 10.06 44.45 2 0 46.47 -999 ? OXT ACT A 802 >PHE~B 47 43.11 14.47 39.74 41.84 16.40 38.20 42.47 15.44 38.97 3 0 40.60 -999 ? OXT ACT A 802 >ALA~B 48 41.59 9.96 38.72 42.47 8.86 38.10 42.03 9.41 38.42 2 0 44.67 -999 ? OXT ACT A 802 >LEU~B 49 39.70 7.61 42.55 40.37 5.51 42.76 40.04 6.56 42.65 3 0 45.73 -999 ? OXT ACT A 802 >PHE~B 50 37.66 10.98 44.57 37.30 8.83 46.28 37.48 9.91 45.43 3 0 42.64 -999 ? OXT ACT A 802 >ALA.B 51 38.28 13.67 38.93 38.78 13.09 37.56 38.53 13.38 38.24 2 0 39.07 -999 ? OXT ACT A 802 >ASP.B 52 35.90 17.38 39.78 34.51 18.90 39.58 35.21 18.14 39.68 2 0 32.70 -999 ? OXT ACT A 802 >ASP.B 53 36.61 20.99 35.68 37.63 22.67 34.92 37.12 21.83 35.30 2 0 31.83 -999 ? OXT ACT A 802 >ARG.B 54 34.19 24.04 39.97 35.39 26.89 39.87 34.79 25.46 39.92 2 0 29.12 -999 ? OXT ACT A 802 >LEU.B 55 39.60 17.77 41.71 39.88 16.24 43.28 39.74 17.01 42.50 3 0 38.56 -999 ? OXT ACT A 802 >GLU^B 56 42.33 23.20 42.62 42.92 25.19 43.18 42.62 24.19 42.90 2 0 37.30 -999 ? OXT ACT A 802 >PHE^B 57 47.27 17.84 42.96 46.90 15.70 41.17 47.09 16.77 42.06 3 0 44.27 -999 ? OXT ACT A 802 >GLY.B 58 46.99 20.93 47.97 47.48 20.62 47.41 47.23 20.77 47.69 1 0 44.24 -999 ? OXT ACT A 802 >ARG.B 59 50.87 26.00 49.64 48.84 27.39 51.49 49.85 26.70 50.56 2 0 45.07 -999 ? OXT ACT A 802 >GLY.B 60 52.74 19.25 49.84 52.57 19.78 50.39 52.66 19.52 50.11 1 0 50.39 -999 ? OXT ACT A 802 >LEU.B 61 55.32 16.74 53.22 55.86 15.65 55.13 55.59 16.20 54.17 3 0 55.76 -999 ? OXT ACT A 802 >SER.B 62 55.62 21.28 53.49 55.28 22.14 51.24 55.45 21.71 52.36 2 0 52.00 -999 ? OXT ACT A 802 >ASN.B 63 51.28 23.35 53.82 49.89 24.43 55.08 50.58 23.89 54.45 2 0 48.59 -999 ? OXT ACT A 802 >ASP.B 64 50.80 20.64 58.72 51.02 19.19 60.30 50.91 19.92 59.51 2 0 54.10 -999 ? OXT ACT A 802 >ASP.B 65 47.09 23.13 57.74 48.04 23.31 59.64 47.56 23.22 58.69 2 0 50.07 -999 ? OXT ACT A 802 >GLU.B 66 46.22 23.51 52.43 46.83 24.55 50.72 46.53 24.03 51.57 2 0 43.93 -999 ? OXT ACT A 802 >PRO.B 67 42.69 19.21 51.49 44.61 18.70 52.53 43.65 18.95 52.01 3 0 44.38 -999 ? OXT ACT A 802 >ASP.B 68 46.67 14.72 49.52 48.01 14.30 51.09 47.34 14.51 50.30 2 0 49.46 -999 ? OXT ACT A 802 >LEU^B 69 43.07 15.97 46.22 44.01 14.19 45.44 43.54 15.08 45.83 3 0 43.64 -999 ? OXT ACT A 802 >TRP^B 70 42.57 21.58 47.73 42.47 23.73 51.03 42.52 22.65 49.38 3 0 40.60 -999 ? OXT ACT A 802 >ARG^B 71 34.67 20.29 43.23 33.71 17.46 43.95 34.19 18.88 43.59 2 0 34.60 -999 ? OXT ACT A 802 >ARG^B 72 39.91 25.47 48.97 42.50 26.48 47.63 41.20 25.97 48.30 2 0 38.29 -999 ? OXT ACT A 802 >ASP.B 73 32.17 26.35 47.28 32.02 27.09 49.27 32.09 26.72 48.28 2 0 31.07 -999 ? OXT ACT A 802 >TYR.B 74 32.89 32.61 45.31 33.36 35.36 45.21 33.12 33.99 45.26 3 0 27.33 -999 ? OXT ACT A 802 >THR.B 75 33.23 30.67 49.77 31.59 30.31 51.12 32.41 30.49 50.45 2 0 30.85 -999 ? OXT ACT A 802 >GLY.B 76 36.41 28.70 50.48 35.68 28.33 50.58 36.04 28.51 50.53 1 0 34.31 -999 ? OXT ACT A 802 >ASP.B 77 33.03 25.70 52.37 32.19 27.35 53.41 32.61 26.53 52.89 2 0 33.81 -999 ? OXT ACT A 802 >PRO^B 78 37.57 22.70 52.72 35.87 23.08 51.31 36.72 22.89 52.02 3 0 37.69 -999 ? OXT ACT A 802 >ASP^B 79 32.97 20.88 47.46 31.24 19.83 46.84 32.10 20.35 47.15 2 0 32.89 -999 ? OXT ACT A 802 >LEU^B 80 35.86 16.87 47.37 35.73 14.73 46.99 35.80 15.80 47.18 3 0 38.38 -999 ? OXT ACT A 802 >TRP^B 81 40.33 16.30 53.97 41.43 19.88 55.21 40.88 18.09 54.59 3 0 44.21 -999 ? OXT ACT A 802 >ILE^B 82 41.20 13.63 48.84 40.82 12.81 47.68 41.01 13.22 48.26 3 0 43.88 -999 ? OXT ACT A 802 >ASP^B 83 43.72 12.89 54.16 43.85 14.90 54.86 43.79 13.90 54.51 2 0 47.97 -999 ? OXT ACT A 802 >LEU^B 84 47.33 10.40 50.51 46.67 10.80 48.43 47.00 10.60 49.47 3 0 50.09 -999 ? OXT ACT A 802 >GLY.B 85 47.70 7.60 54.24 46.92 7.82 54.32 47.31 7.71 54.28 1 0 54.33 -999 ? OXT ACT A 802 >GLN.B 86 47.57 4.79 58.10 48.64 4.60 56.24 48.10 4.69 57.17 2 0 57.66 -999 ? OXT ACT A 802 >PRO.B 87 43.88 10.55 57.59 45.69 10.13 58.86 44.78 10.34 58.22 3 0 52.81 -999 ? OXT ACT A 802 >ASP~B 88 45.51 12.48 63.74 45.21 12.37 65.83 45.36 12.43 64.79 2 0 56.48 -999 ? OXT ACT A 802 >GLU~B 89 39.19 10.09 65.30 38.61 10.51 67.30 38.90 10.30 66.30 2 0 54.76 -999 ? OXT ACT A 802 >SER~B 90 41.28 14.40 65.25 41.54 14.94 67.60 41.41 14.67 66.42 2 0 54.31 -999 ? OXT ACT A 802 >ARG~B 91 44.84 15.39 58.88 45.79 17.51 56.83 45.32 16.45 57.85 2 0 49.10 -999 ? OXT ACT A 802 >VAL~B 92 39.62 13.45 60.20 39.45 11.36 59.50 39.53 12.41 59.85 3 0 49.41 -999 ? OXT ACT A 802 >ARG~B 93 35.83 15.39 66.28 38.00 17.24 67.42 36.91 16.31 66.85 2 0 51.25 -999 ? OXT ACT A 802 >LYS~B 94 37.97 18.41 61.74 42.13 19.51 66.30 40.05 18.96 64.02 2 0 51.82 -999 ? OXT ACT A 802 >ALA~B 95 38.08 17.69 57.97 38.97 16.61 57.32 38.53 17.15 57.64 2 0 45.31 -999 ? OXT ACT A 802 >CYH~B 96 34.62 16.13 58.08 35.01 13.34 58.16 34.81 14.74 58.12 2 0 45.35 -999 ? OXT ACT A 802 >ASN~B 97 33.64 19.51 61.46 32.95 18.18 63.01 33.30 18.85 62.23 2 0 45.04 -999 ? OXT ACT A 802 >ARG~B 98 38.26 22.45 57.63 40.79 23.90 56.64 39.53 23.18 57.14 2 0 42.86 -999 ? OXT ACT A 802 >SER~B 99 33.93 19.86 54.22 36.34 19.35 54.23 35.14 19.61 54.22 2 0 40.44 -999 ? OXT ACT A 802 >ARG.B 100 28.69 18.22 49.19 30.30 15.88 47.97 29.49 17.05 48.58 2 0 35.45 -999 ? OXT ACT A 802 >GLU^B 101 32.85 12.71 50.90 32.39 11.51 49.17 32.62 12.11 50.04 2 0 40.16 -999 ? OXT ACT A 802 >ALA^B 102 36.05 13.89 53.35 36.54 14.16 54.79 36.30 14.02 54.07 2 0 43.72 -999 ? OXT ACT A 802 >VAL^B 103 38.05 10.99 51.93 37.66 10.49 49.83 37.86 10.74 50.88 3 0 44.58 -999 ? OXT ACT A 802 >VAL^B 104 40.83 8.90 53.44 41.37 8.63 55.55 41.10 8.76 54.50 3 0 49.53 -999 ? OXT ACT A 802 >ILE^B 105 43.15 7.35 49.59 42.83 7.33 48.17 42.99 7.34 48.88 3 0 49.15 -999 ? OXT ACT A 802 >GLY^B 106 45.06 4.29 52.74 44.94 4.25 51.91 45.00 4.27 52.32 1 0 54.03 -999 ? OXT ACT A 802 >TYR.B 107 49.53 4.82 50.26 51.32 6.84 50.99 50.43 5.83 50.63 3 0 55.80 -999 ? OXT ACT A 802 >GLY.B 108 51.32 1.58 52.93 50.84 0.98 52.64 51.08 1.28 52.79 1 0 59.92 -999 ? OXT ACT A 802 >GLY~B 109 50.31 -2.04 53.52 50.03 -1.48 54.09 50.17 -1.76 53.81 1 0 61.86 -999 ? OXT ACT A 802 >GLN~B 110 51.14 -5.45 57.98 50.11 -5.87 59.80 50.63 -5.66 58.89 2 0 66.95 -999 ? OXT ACT A 802 >ALA~B 111 50.02 0.49 58.17 50.74 1.61 57.39 50.38 1.05 57.78 2 0 61.38 -999 ? OXT ACT A 802 >THR~B 112 46.46 0.81 56.91 45.93 1.43 54.91 46.19 1.12 55.91 2 0 57.39 -999 ? OXT ACT A 802 >GLU~B 113 44.49 -4.28 56.83 45.53 -5.84 55.85 45.01 -5.06 56.34 2 0 62.63 -999 ? OXT ACT A 802 >THR~B 114 46.04 -1.52 61.91 48.22 -1.71 62.00 47.13 -1.61 61.96 2 0 64.13 -999 ? OXT ACT A 802 >TRP~B 115 45.13 5.52 61.02 42.03 5.76 58.66 43.58 5.64 59.84 3 0 55.70 -999 ? OXT ACT A 802 >TRP~B 116 38.90 -1.14 58.77 36.91 2.28 58.82 37.90 0.57 58.79 3 0 55.46 -999 ? OXT ACT A 802 >LYS~B 117 41.56 -1.90 63.44 46.01 -5.09 63.17 43.78 -3.49 63.31 2 0 65.73 -999 ? OXT ACT A 802 >LYS~B 118 42.09 1.01 65.88 44.98 4.84 68.91 43.54 2.93 67.40 2 0 62.24 -999 ? OXT ACT A 802 >HIS~B 119 41.72 5.44 64.15 43.23 6.42 65.23 42.47 5.93 64.69 3 0 57.66 -999 ? OXT ACT A 802 >ALA~B 120 36.78 2.06 62.73 36.52 0.57 62.52 36.65 1.31 62.62 2 0 56.86 -999 ? OXT ACT A 802 >ASN~B 121 34.44 2.57 67.06 32.72 3.15 68.20 33.58 2.86 67.63 2 0 57.12 -999 ? OXT ACT A 802 >ALA~B 122 35.28 6.73 66.03 36.58 7.28 66.60 35.93 7.01 66.31 2 0 55.12 -999 ? OXT ACT A 802 >MET?B 123 35.25 7.29 62.25 38.96 7.35 60.69 37.11 7.32 61.47 2 0 52.55 -999 ? OXT ACT A 802 >GLY~B 124 31.84 5.69 61.79 32.04 6.35 62.16 31.94 6.02 61.97 1 0 50.96 -999 ? OXT ACT A 802 >ARG.B 125 31.51 9.77 67.08 34.25 11.21 67.25 32.88 10.49 67.17 2 0 52.29 -999 ? OXT ACT A 802 >TYR.B 126 33.60 11.62 61.67 35.02 11.90 64.07 34.31 11.76 62.87 3 0 48.97 -999 ? OXT ACT A 802 >ARG.B 127 25.29 9.88 60.07 23.36 8.50 58.08 24.32 9.19 59.08 2 0 43.74 -999 ? OXT ACT A 802 >ASN.B 128 29.94 13.81 55.38 31.19 14.96 56.72 30.56 14.38 56.05 2 0 41.57 -999 ? OXT ACT A 802 >LEU^B 129 34.10 9.85 56.80 36.16 9.40 57.31 35.13 9.62 57.06 3 0 47.03 -999 ? OXT ACT A 802 >ARG^B 130 34.79 7.72 48.88 31.89 6.99 48.12 33.34 7.35 48.50 2 0 42.76 -999 ? OXT ACT A 802 >VAL^B 131 37.56 5.51 53.65 38.20 5.19 55.72 37.88 5.35 54.68 3 0 50.04 -999 ? OXT ACT A 802 >ILE^B 132 39.11 3.76 49.56 38.25 4.85 48.67 38.68 4.30 49.12 3 0 48.74 -999 ? OXT ACT A 802 >GLU^B 133 43.73 -0.69 52.32 43.79 -2.18 53.81 43.76 -1.44 53.07 2 0 58.19 -999 ? OXT ACT A 802 >LEU.B 134 45.31 1.57 47.42 44.36 3.22 46.34 44.84 2.39 46.88 3 0 53.01 -999 ? OXT ACT A 802 >ASP~B 135 46.20 -3.93 46.92 47.66 -5.44 46.73 46.93 -4.69 46.83 2 0 60.41 -999 ? OXT ACT A 802 >SER~B 136 50.26 -2.23 48.63 50.75 -3.94 50.26 50.51 -3.08 49.44 2 0 62.30 -999 ? OXT ACT A 802 >GLN~B 137 51.79 -6.76 44.55 51.56 -8.89 44.61 51.68 -7.82 44.58 2 0 64.85 -999 ? OXT ACT A 802 >ALA~B 138 49.46 -2.46 43.35 47.93 -2.42 43.30 48.69 -2.44 43.33 2 0 57.46 -999 ? OXT ACT A 802 >THR~B 139 50.54 0.98 44.67 49.56 1.39 46.60 50.05 1.18 45.64 2 0 56.71 -999 ? OXT ACT A 802 >GLU~B 140 56.34 -1.25 45.40 57.09 -0.02 46.97 56.71 -0.64 46.18 2 0 63.03 -999 ? OXT ACT A 802 >ALA~B 141 53.72 -1.31 40.99 52.79 -2.44 40.52 53.25 -1.88 40.75 2 0 60.14 -999 ? OXT ACT A 802 >LEU~B 142 50.79 2.53 40.95 49.31 3.64 39.84 50.05 3.09 40.40 3 0 54.40 -999 ? OXT ACT A 802 >GLY~B 143 54.99 3.94 41.72 55.01 3.37 41.13 55.00 3.65 41.43 1 0 57.75 -999 ? OXT ACT A 802 >ALA~B 144 57.49 2.12 39.50 57.76 0.61 39.52 57.62 1.36 39.51 2 0 61.54 -999 ? OXT ACT A 802 >LEU.B 145 54.17 3.16 36.16 53.46 1.40 35.19 53.81 2.28 35.68 3 0 57.00 -999 ? OXT ACT A 802 >ILE.B 146 56.99 7.66 38.88 57.51 8.48 39.80 57.25 8.07 39.34 3 0 56.65 -999 ? OXT ACT A 802 >GLN.B 147 57.54 7.53 33.23 56.75 7.09 31.29 57.14 7.31 32.26 2 0 56.03 -999 ? OXT ACT A 802 >ARG.B 148 61.77 13.97 32.37 64.28 12.93 30.94 63.02 13.45 31.65 2 0 59.24 -999 ? CH3 ACT A 801 >GLY^B 149 55.97 13.24 31.45 56.13 12.47 31.80 56.05 12.86 31.62 1 0 52.03 -999 ? OXT ACT A 802 >MET?B 150 53.26 10.63 31.96 53.68 9.55 36.08 53.47 10.09 34.02 2 0 52.45 -999 ? OXT ACT A 802 >ARG^B 151 51.01 11.46 26.44 51.25 9.14 24.43 51.13 10.30 25.44 2 0 50.19 -999 ? CH3 ACT A 801 >PHE^B 152 48.78 6.69 33.45 51.17 5.79 34.59 49.97 6.24 34.02 3 0 51.37 -999 ? OXT ACT A 802 >ASP^B 153 43.90 4.91 29.00 44.61 5.47 27.08 44.25 5.19 28.04 2 0 47.92 -999 ? OXT ACT A 802 >VAL^B 154 42.19 5.28 33.21 42.60 6.38 35.07 42.40 5.83 34.14 3 0 46.24 -999 ? OXT ACT A 802 >ILE^B 155 39.43 1.66 31.91 39.45 1.11 30.73 39.44 1.38 31.32 3 0 47.62 -999 ? OXT ACT A 802 >ILE^B 156 36.95 3.58 36.88 37.33 4.40 37.93 37.14 3.99 37.40 3 0 44.76 -999 ? OXT ACT A 802 >GLN^B 157 32.59 -1.28 34.43 32.05 -1.81 32.45 32.32 -1.55 33.44 2 0 46.52 -999 ? OXT ACT A 802 >ASP.B 158 32.39 -3.64 38.28 30.63 -3.75 37.11 31.51 -3.69 37.69 2 0 48.14 -999 ? OXT ACT A 802 >GLY.B 159 35.05 -0.81 41.36 35.29 -1.09 40.66 35.17 -0.95 41.01 1 0 48.38 -999 ? OXT ACT A 802 >GLU^B 160 39.36 -4.02 38.57 39.47 -5.36 36.96 39.42 -4.69 37.76 2 0 53.66 -999 ? OXT ACT A 802 >VAL^B 161 40.59 0.55 38.10 41.41 2.15 39.40 41.00 1.35 38.75 3 0 49.36 -999 ? OXT ACT A 802 >GLN^B 162 41.72 -1.95 34.30 41.10 -2.96 32.56 41.41 -2.46 33.43 2 0 52.16 -999 ? OXT ACT A 802 >MET?B 163 45.83 2.55 34.76 45.85 5.37 36.97 45.84 3.96 35.87 2 0 49.28 -999 ? OXT ACT A 802 >LEU^B 164 46.45 1.46 30.23 45.01 0.04 29.84 45.73 0.75 30.04 3 0 52.06 -999 ? OXT ACT A 802 >ALA^B 165 50.53 3.44 29.92 51.52 4.01 30.96 51.02 3.72 30.44 2 0 53.86 -999 ? OXT ACT A 802 >ASP.B 166 53.65 3.61 26.18 52.47 4.45 24.65 53.06 4.03 25.42 2 0 54.36 -999 ? CH3 ACT A 801 >HIS.B 167 55.88 3.42 30.97 55.08 4.76 32.38 55.48 4.09 31.67 3 0 56.85 -999 ? OXT ACT A 802 >GLY^B 168 53.20 -0.60 31.82 52.74 -0.08 31.43 52.97 -0.34 31.62 1 0 58.24 -999 ? OXT ACT A 802 >SER^B 169 49.76 -1.12 33.37 49.36 -3.34 32.48 49.56 -2.23 32.92 2 0 57.58 -999 ? OXT ACT A 802 >VAL^B 170 48.38 -1.66 36.85 49.48 -1.03 38.69 48.93 -1.35 37.77 3 0 56.30 -999 ? OXT ACT A 802 >THR^B 171 44.99 -2.99 37.90 43.86 -4.27 36.58 44.43 -3.63 37.24 2 0 55.18 -999 ? OXT ACT A 802 >LEU^B 172 44.32 -1.75 42.23 44.91 0.34 42.09 44.61 -0.70 42.16 3 0 53.84 -999 ? OXT ACT A 802 >THR.B 173 40.17 -2.73 43.18 38.59 -4.19 43.02 39.38 -3.46 43.10 2 0 53.37 -999 ? OXT ACT A 802 >PRO.B 174 40.06 1.48 44.10 39.98 -0.44 45.29 40.02 0.52 44.69 3 0 50.83 -999 ? OXT ACT A 802 >MET?B 175 38.44 -1.48 49.17 40.84 -4.58 50.56 39.64 -3.03 49.87 2 0 57.13 -999 ? OXT ACT A 802 >VAL.B 176 35.64 0.77 50.36 34.19 1.87 49.12 34.92 1.32 49.74 3 0 49.27 -999 ? OXT ACT A 802 >ARG.B 177 37.91 -1.51 54.79 39.00 -4.01 53.37 38.46 -2.76 54.08 2 0 56.86 -999 ? OXT ACT A 802 >GLN.B 178 32.42 4.95 56.63 32.89 6.12 58.35 32.65 5.54 57.49 2 0 49.04 -999 ? OXT ACT A 802 >ALA.B 179 31.12 5.55 52.49 30.94 4.90 51.12 31.03 5.23 51.80 2 0 45.26 -999 ? OXT ACT A 802 >PRO.B 180 30.08 9.75 51.95 29.02 7.90 52.62 29.55 8.82 52.28 3 0 42.30 -999 ? OXT ACT A 802