HEADER UNKNOWN FUNCTION 25-JUN-04 1TUH COMPND HYPOTHETICAL PROTEIN EGC068; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BAL32A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; SOURCE 3 ORGANISM_TAXID: 77133; SOURCE 4 GENE: EGC068; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PETMCIII AUTHOR A.ROBINSON,P.S.-C.WU,S.J.HARROP,P.M.SCHAEFFER,N.E.DIXON, AUTHOR 2 M.R.GILLINGS,A.J.HOLMES,K.M.H.NEVALAINEN,G.OTTING, AUTHOR 3 H.W.STOKES,P.M.G.CURMI,B.C.MABBUTT HET ACT A 501 4 SITE 1 AC1 8 ARG A 106 ASP A 117 VAL A 118 GLY A 119 mASN~A 19 19.01 29.28 41.49 19.04 29.88 42.29 17.53 27.94 39.88 16.57 28.10 40.61 18.95 28.38 40.29 19.94 27.20 40.40 2 0 32.06-999 ?-999 ?-999 ? OXT ACT A 501 mGLU~A 20 17.44 27.43 38.66 18.30 27.45 38.14 15.65 25.84 39.06 14.44 25.84 39.33 16.23 26.89 38.12 16.50 26.19 36.78 2 0 30.49-999 ?-999 ?-999 ? O ACT A 501 mALA~A 21 16.51 24.94 39.51 17.46 25.10 39.26 15.39 24.35 41.61 14.33 23.90 42.01 16.02 23.82 40.32 17.10 22.87 40.64 2 0 27.15-999 ?-999 ?-999 ? O ACT A 501 mGLU~A 22 16.01 25.35 42.25 16.88 25.67 41.86 14.16 26.69 43.20 13.23 26.66 43.99 15.40 25.89 43.45 16.42 26.67 44.33 2 0 27.08-999 ?-999 ?-999 ? OXT ACT A 501 mGLN~A 23 14.08 27.41 42.08 14.91 27.42 41.52 11.69 27.08 41.56 10.61 27.28 42.02 12.83 28.10 41.74 12.94 28.83 40.41 2 0 28.34-999 ?-999 ?-999 ? O ACT A 501 mASN~A 24 12.00 25.97 40.94 12.96 25.92 40.64 10.57 24.33 42.09 9.40 24.06 42.32 10.97 24.92 40.76 11.52 23.87 39.79 2 0 25.45-999 ?-999 ?-999 ? O ACT A 501 mALA~A 25 11.53 24.17 43.03 12.46 24.38 42.73 10.30 24.72 45.07 9.35 24.31 45.75 11.22 23.72 44.38 12.51 23.42 45.19 2 0 23.06-999 ?-999 ?-999 ? O ACT A 501 mGLU~A 26 10.59 26.03 44.95 11.43 26.26 44.47 8.31 26.97 44.92 7.33 27.18 45.61 9.72 27.05 45.49 10.27 28.45 45.27 2 0 25.01-999 ?-999 ?-999 ? O ACT A 501 mTHR~A 27 8.23 26.70 43.63 9.11 26.57 43.17 6.13 25.40 43.58 4.93 25.50 43.84 6.91 26.61 42.97 7.14 26.43 41.53 2 0 24.70-999 ?-999 ?-999 ? O ACT A 501 mVAL~A 28 6.84 24.28 43.80 7.80 24.33 43.53 5.64 23.46 45.79 4.52 23.09 46.16 6.16 23.09 44.41 7.07 21.87 44.38 3 0 20.82-999 ?-999 ?-999 ? O ACT A 501 mARG~A 29 6.47 24.16 46.60 7.37 24.39 46.24 4.76 25.42 47.91 3.83 25.22 48.72 6.00 24.51 47.92 7.13 25.14 48.68 2 0 20.99-999 ?-999 ?-999 ? O ACT A 501 mARG~A 30 4.76 26.38 47.01 5.62 26.41 46.49 2.41 26.50 46.36 1.31 26.79 46.78 3.64 27.29 46.78 3.96 28.28 45.68 2 0 23.56-999 ?-999 ?-999 ? O ACT A 501 mGLY~A 31 2.61 25.48 45.52 3.56 25.35 45.24 0.88 23.79 46.14 -0.32 23.70 46.24 1.49 24.66 45.07-999.99-999.99-999.99 1 0 21.46-999 ?-999 ?-999 ? O ACT A 501 mTYR~A 32 1.70 23.17 47.00 2.68 23.28 46.85 0.23 23.34 49.01 -0.86 22.97 49.49 1.07 22.41 48.09 2.12 21.70 48.96 3 0 18.40-999 ?-999 ?-999 ? O ACT A 501 mALA~A 33 0.78 24.54 49.28 1.67 24.67 48.85 -1.21 25.99 49.53 -2.24 25.99 50.19 0.10 25.54 50.15 1.00 26.73 50.42 2 0 21.14-999 ?-999 ?-999 ? O ACT A 501 mALA~A 34 -1.17 26.28 48.25 -0.26 26.20 47.86 -3.41 25.54 47.33 -4.61 25.75 47.48 -2.38 26.68 47.49 -1.99 27.28 46.15 2 0 23.01-999 ?-999 ?-999 ? O ACT A 501 mPHE~A 35 -2.93 24.32 47.14 -1.95 24.27 46.97 -4.45 23.05 48.54 -5.65 22.92 48.62 -3.79 23.17 47.19 -3.02 21.88 46.88 3 0 20.05-999 ?-999 ?-999 ? O ACT A 501 mASN~A 36 -3.66 23.12 49.61 -2.70 23.34 49.43 -5.21 23.96 51.36 -6.14 23.68 52.12 -4.20 22.86 50.94 -3.08 22.74 51.97 2 0 19.19-999 ?-999 ?-999 ? O ACT A 501 mSER~A 37 -5.06 25.17 50.81 -4.30 25.26 50.17 -7.11 26.43 50.15 -7.98 27.28 50.34 -5.99 26.25 51.15 -5.21 27.53 51.37 2 0 22.93-999 ?-999 ?-999 ? O ACT A 501 mGLY~A 38 -7.12 25.63 49.08 -6.38 24.95 49.08 -7.96 26.91 47.10 -8.93 27.36 46.48 -8.13 25.73 48.02-999.99-999.99-999.99 1 0 23.65-999 ?-999 ?-999 ? O ACT A 501 mASP~A 39 -6.76 27.42 46.99 -6.04 26.90 47.46 -6.17 28.26 44.83 -5.04 28.18 44.42 -6.49 28.63 46.26 -5.38 29.42 46.95 2 0 26.10-999 ?-999 ?-999 ? O ACT A 501 mMET~A 40 -7.23 28.05 44.06 -8.10 28.28 44.49 -6.63 28.62 41.74 -6.01 28.34 40.71 -7.10 27.54 42.69 -8.42 26.81 42.27 2 0 26.44-999 ?-999 ?-999 ? O ACT A 501 mLYS~A 41 -6.83 29.89 42.08 -7.41 30.04 42.88 -4.66 30.92 41.26 -4.00 31.05 40.20 -6.21 30.95 41.29 -6.70 32.30 41.82 2 0 29.70-999 ?-999 ?-999 ? O ACT A 501 mTHR~A 42 -4.03 30.79 42.44 -4.61 30.81 43.26 -2.21 29.32 41.78 -1.30 29.25 40.98 -2.59 30.63 42.46 -2.07 30.60 43.94 2 0 28.26-999 ?-999 ?-999 ? O ACT A 501 mLEU~A 43 -2.91 28.26 42.13 -3.66 28.45 42.76 -2.52 26.95 40.03 -1.62 26.39 39.39 -2.57 26.94 41.59 -3.50 25.91 42.28 3 0 25.26-999 ?-999 ?-999 ? O ACT A 501 mTHR~A 44 -3.42 27.72 39.40 -4.13 28.06 40.01 -2.15 28.59 37.33 -1.70 28.19 36.25 -3.37 28.01 37.92 -4.53 29.04 37.58 2 0 28.09-999 ?-999 ?-999 ? O ACT A 501 mGLU~A 45 -1.63 29.58 38.01 -2.15 29.85 38.82 0.68 29.20 37.55 1.65 29.42 36.86 -0.44 30.22 37.59 -0.03 31.34 38.56 2 0 29.81-999 ?-999 ?-999 ? O ACT A 501 mLEU~A 46 0.62 28.16 38.38 -0.25 28.06 38.86 1.85 26.10 37.56 2.86 25.37 37.54 1.80 27.27 38.52 1.84 26.69 39.96 3 0 26.75-999 ?-999 ?-999 ? O ACT A 501 mPHE^A 47 0.74 25.84 36.87 0.00 26.49 37.03 0.50 25.18 34.51 -0.23 26.13 34.25 0.63 24.69 35.95 -0.64 23.87 36.22 3 0 26.17-999 ?-999 ?-999 ? O ACT A 501 mASP^A 48 1.17 24.51 33.61 1.80 23.83 34.01 -0.40 24.29 31.85 -0.89 23.31 32.38 1.03 24.72 32.19 2.05 23.82 31.50 2 0 28.74-999 ?-999 ?-999 ? O ACT A 501 mGLU^A 49 -1.04 25.00 30.92 -0.55 25.81 30.57 -2.47 23.17 29.90 -3.57 22.65 29.86 -2.36 24.60 30.46 -2.89 25.65 29.43 2 0 30.15-999 ?-999 ?-999 ? O ACT A 501 mASN^A 50 -1.36 22.60 29.37 -0.58 23.23 29.35 -0.56 20.23 29.80 -0.22 19.14 29.37 -1.27 21.23 28.86 -0.59 21.22 27.51 2 0 29.19-999 ?-999 ?-999 ? O ACT A 501 mALA^A 51 -0.49 20.59 31.10 -0.82 21.51 31.27 -0.82 18.41 32.24 -2.05 18.47 32.03 0.05 19.68 32.15 0.08 20.36 33.48 2 0 25.53-999 ?-999 ?-999 ? O ACT A 501 mSER^A 52 -0.19 17.32 32.65 0.81 17.44 32.66 -0.62 15.71 34.50 0.42 16.02 35.10 -0.86 16.08 33.04 -0.34 14.94 32.19 2 0 22.88-999 ?-999 ?-999 ? O ACT A 501 mTRP^A 53 -1.58 14.98 35.06 -2.37 14.84 34.47 -1.81 12.95 36.38 -2.78 12.50 35.75 -1.50 14.44 36.38 -2.44 15.19 37.30 3 0 19.28-999 ?-999 ?-999 ? O ACT A 501 mHIS^A 54 -0.93 12.15 36.96 -0.21 12.63 37.47 -1.29 10.10 38.23 -0.51 10.20 39.15 -1.01 10.71 36.86 0.25 10.15 36.25 3 0 17.15-999 ?-999 ?-999 ? O ACT A 501 mTHR^A 55 -2.47 9.51 38.38 -3.06 9.57 37.58 -2.88 7.34 39.36 -3.61 6.80 38.47 -2.86 8.85 39.58 -4.27 9.33 39.98 2 0 14.43-999 ?-999 ?-999 ? O ACT A 501 mPRO.A 56 -2.11 6.62 40.15 -1.63 7.13 40.87 -3.25 4.50 40.57 -4.05 5.11 41.30 -2.01 5.20 39.96 -0.74 4.81 40.69 3 0 13.21-999 ?-999 ?-999 ? O ACT A 501 mGLY.A 57 -3.32 3.20 40.32 -2.67 2.86 39.63 -5.51 2.04 40.22 -5.56 2.25 39.02 -4.28 2.36 41.02-999.99-999.99-999.99 1 0 13.17-999 ?-999 ?-999 ? O ACT A 501 mARG.A 58 -6.49 1.51 40.94 -6.35 1.54 41.92 -8.95 1.58 40.72 -9.99 1.06 40.42 -7.66 0.95 40.27 -7.66 -0.56 40.48 2 0 15.80-999 ?-999 ?-999 ? O ACT A 501 mSER.A 59 -8.92 2.70 41.40 -7.99 3.04 41.58 -10.75 4.14 40.70 -10.18 4.30 39.59 -10.11 3.37 41.85 -9.77 4.36 42.99 2 0 15.85-999 ?-999 ?-999 ? O ACT A 501 mARG.A 60 -11.93 4.68 41.00 -12.24 4.49 41.93 -11.94 6.81 39.74 -12.22 7.46 38.72 -12.67 5.48 40.03 -14.09 5.77 40.51 2 0 18.95-999 ?-999 ?-999 ? O ACT A 501 mILE.A 61 -11.02 7.21 40.60 -10.93 6.65 41.42 -8.81 8.23 39.74 -8.10 9.21 39.50 -10.23 8.43 40.29 -10.31 9.49 41.42 3 0 17.43-999 ?-999 ?-999 ? O ACT A 501 mALA.A 62 -8.46 6.98 39.43 -9.12 6.28 39.69 -7.14 7.18 37.35 -8.16 7.36 36.70 -7.22 6.68 38.78 -7.00 5.19 38.76 2 0 16.50-999 ?-999 ?-999 ? O ACT A 501 mGLY^A 63 -5.91 7.32 36.86 -5.19 7.27 37.55 -4.73 8.70 35.17 -4.29 9.40 36.09 -5.64 7.54 35.46-999.99-999.99-999.99 1 0 18.86-999 ?-999 ?-999 ? O ACT A 501 mASP^A 64 -4.53 8.92 33.88 -4.96 8.22 33.31 -4.82 11.10 33.05 -5.69 10.91 32.19 -3.79 10.03 33.35 -3.06 9.64 32.06 2 0 20.76-999 ?-999 ?-999 ? O ACT A 501 mHIS^A 65 -4.81 12.14 33.86 -4.18 12.05 34.63 -4.82 14.32 32.80 -3.94 15.00 33.36 -5.66 13.32 33.62 -6.15 13.81 34.94 3 0 22.13-999 ?-999 ?-999 ? O ACT A 501 mLYS^A 66 -5.11 14.43 31.51 -5.88 13.86 31.23 -5.07 16.64 30.40 -6.30 16.70 30.06 -4.36 15.31 30.59 -4.17 14.60 29.26 2 0 25.24-999 ?-999 ?-999 ? O ACT A 501 mGLY~A 67 -4.31 17.72 30.59 -3.35 17.51 30.78 -5.00 19.62 31.93 -5.57 18.96 32.81 -4.80 19.08 30.55-999.99-999.99-999.99 1 0 27.19-999 ?-999 ?-999 ? O ACT A 501 mARG~A 68 -4.56 20.86 32.13 -4.11 21.27 31.34 -6.17 21.53 33.93 -6.45 21.33 35.09 -4.73 21.53 33.40 -4.20 22.94 33.26 2 0 26.39-999 ?-999 ?-999 ? O ACT A 501 mGLU~A 69 -7.12 21.71 33.02 -6.80 21.90 32.09 -8.91 20.23 34.03 -9.71 20.18 34.98 -8.54 21.60 33.43 -9.48 22.02 32.25 2 0 27.55-999 ?-999 ?-999 ? O ACT A 501 mALA~A 70 -8.34 19.14 33.50 -7.71 19.35 32.75 -7.87 17.58 35.28 -8.40 16.96 36.20 -8.59 17.77 33.95 -8.06 16.80 32.95 2 0 24.99-999 ?-999 ?-999 ? O ACT A 501 mILE~A 71 -6.72 18.23 35.44 -6.43 18.74 34.63 -6.83 18.79 37.81 -6.99 18.25 38.90 -5.99 18.17 36.74 -4.61 18.86 36.60 3 0 22.22-999 ?-999 ?-999 ? O ACT A 501 mPHE~A 72 -7.31 19.98 37.55 -7.11 20.32 36.63 -9.44 20.09 38.86 -9.93 20.22 40.01 -8.07 20.72 38.54 -8.14 22.19 38.16 3 0 23.45-999 ?-999 ?-999 ? O ACT A 501 mALA~A 73 -10.01 19.39 37.89 -9.57 19.52 37.00 -10.81 17.38 39.15 -11.55 17.10 40.10 -11.18 18.50 38.17 -11.68 17.89 36.92 2 0 23.72-999 ?-999 ?-999 ? O ACT A 501 mGLN~A 74 -9.66 16.76 38.93 -9.20 17.04 38.08 -9.02 16.36 41.24 -9.47 15.78 42.24 -9.15 15.76 39.90 -7.81 15.16 39.42 2 0 19.99-999 ?-999 ?-999 ? O ACT A 501 mPHE~A 75 -8.28 17.46 41.34 -7.85 17.75 40.48 -9.51 18.51 43.26 -9.72 18.33 44.48 -8.15 18.16 42.62 -7.29 19.42 42.50 3 0 19.41-999 ?-999 ?-999 ? O ACT A 501 mGLY~A 76 -10.46 18.94 42.43 -10.16 19.06 41.48 -12.49 17.99 43.47 -13.27 18.12 44.43 -11.81 19.22 42.90-999.99-999.99-999.99 1 0 22.00-999 ?-999 ?-999 ? O ACT A 501 mARG~A 77 -12.20 16.81 42.93 -11.59 16.85 42.14 -12.07 15.21 44.81 -12.72 14.72 45.75 -12.75 15.56 43.49 -12.64 14.39 42.52 2 0 20.12-999 ?-999 ?-999 ? O ACT A 501 mTYR~A 78 -10.76 15.42 44.90 -10.32 15.72 44.05 -10.71 15.95 47.31 -10.98 15.38 48.35 -10.04 15.20 46.15 -8.55 15.61 46.04 3 0 16.92-999 ?-999 ?-999 ? O ACT A 501 mGLY~A 79 -10.92 17.24 47.15 -10.59 17.59 46.27 -13.07 17.82 48.24 -13.61 17.63 49.33 -11.57 18.05 48.17-999.99-999.99-999.99 1 0 19.22-999 ?-999 ?-999 ? O ACT A 501 mGLY~A 80 -13.71 17.80 47.07 -13.10 17.90 46.29 -15.72 16.42 47.64 -16.67 16.50 48.44 -15.18 17.66 46.97-999.99-999.99-999.99 1 0 21.86-999 ?-999 ?-999 ? O ACT A 501 mGLU~A 81 -15.09 15.29 47.36 -14.27 15.42 46.80 -15.16 13.65 49.26 -15.50 12.56 49.72 -15.54 14.00 47.83 -15.04 12.91 46.89 2 0 19.91-999 ?-999 ?-999 ? CH3 ACT A 501 mTHR.A 82 -14.48 14.55 49.96 -14.27 15.38 49.45 -14.54 15.45 52.25 -14.01 15.64 53.33 -14.08 14.31 51.35 -12.53 14.16 51.45 2 0 17.93-999 ?-999 ?-999 ? CH3 ACT A 501 mGLY.A 83 -15.53 16.21 51.79 -15.86 15.94 50.88 -15.00 18.31 52.90 -15.01 18.93 53.97 -16.08 17.34 52.55-999.99-999.99-999.99 1 0 21.12-999 ?-999 ?-999 ? CH3 ACT A 501 mGLY.A 84 -14.04 18.45 51.97 -14.15 17.90 51.14 -11.91 18.97 53.23 -11.12 19.81 53.63 -12.93 19.34 52.17-999.99-999.99-999.99 1 0 20.27-999 ?-999 ?-999 ? CH3 ACT A 501 mTHR.A 85 -11.91 17.72 53.67 -12.62 17.15 53.27 -9.56 16.83 54.05 -8.58 16.75 54.74 -10.93 17.26 54.67 -11.46 16.07 55.47 2 0 17.21-999 ?-999 ?-999 ? CH3 ACT A 501 mPHE.A 86 -9.56 16.50 52.78 -10.46 16.58 52.34 -7.24 17.09 52.27 -7.42 18.26 51.95 -8.34 16.05 52.12 -8.63 15.81 50.65 3 0 14.90-999 ?-999 ?-999 ? CH3 ACT A 501 mLYS^A 87 -6.09 16.62 52.74 -6.14 15.64 52.96 -3.65 16.69 52.40 -3.55 15.46 52.46 -4.87 17.41 52.93 -4.58 17.65 54.40 2 0 14.26-999 ?-999 ?-999 ? O ACT A 501 mALA^A 88 -2.71 17.49 51.93 -3.01 18.44 51.82 -0.35 17.63 52.50 0.07 18.76 52.26 -1.37 17.00 51.59 -1.03 17.34 50.13 2 0 12.76-999 ?-999 ?-999 ? O ACT A 501 mVAL^A 89 0.09 16.90 53.51 -0.32 15.99 53.56 2.48 17.22 53.93 2.97 16.11 53.89 1.08 17.40 54.47 0.93 16.67 55.83 3 0 12.80-999 ?-999 ?-999 ? OXT ACT A 501 mLEU^A 90 3.10 18.30 53.53 2.61 19.15 53.72 5.52 17.96 53.88 5.66 18.68 54.88 4.40 18.22 52.88 4.64 19.53 52.11 3 0 13.73-999 ?-999 ?-999 ? OXT ACT A 501 mLEU^A 91 6.31 16.94 53.61 6.12 16.48 52.75 8.74 16.93 53.99 9.54 17.42 54.74 7.35 16.54 54.50 7.27 15.03 54.69 3 0 12.74-999 ?-999 ?-999 ? OXT ACT A 501 mHIS^A 92 9.02 16.68 52.71 8.28 16.26 52.19 10.18 17.35 50.65 9.25 16.92 49.95 10.29 16.99 52.12 11.30 15.85 52.23 3 0 14.66-999 ?-999 ?-999 ? OXT ACT A 501 mVAL^A 93 11.10 18.20 50.21 11.71 18.53 50.92 12.61 18.30 48.29 13.60 18.75 48.85 11.19 18.59 48.80 10.83 20.06 48.55 3 0 17.27-999 ?-999 ?-999 ? OXT ACT A 501 mLEU^A 94 12.69 17.50 47.24 11.81 17.16 46.93 14.00 17.65 45.15 12.96 17.82 44.48 13.93 17.14 46.60 14.19 15.66 46.69 3 0 18.54-999 ?-999 ?-999 ? OXT ACT A 501 mLYS^A 95 15.23 17.87 44.66 15.96 17.56 45.28 16.55 17.73 42.63 17.57 17.29 43.22 15.50 18.49 43.35 16.15 19.92 43.51 2 0 21.89-999 ?-999 ?-999 ? OXT ACT A 501 mSER.A 96 16.42 17.67 41.32 15.53 17.93 40.95 18.19 18.53 40.01 17.59 19.63 39.98 17.53 17.26 40.51 17.12 16.37 39.33 2 0 23.86-999 ?-999 ?-999 ? O ACT A 501 mASP.A 97 19.41 18.36 39.54 19.72 17.41 39.50 19.46 20.10 37.96 19.49 21.33 37.81 20.19 19.50 39.13 21.66 19.10 38.75 2 0 27.57-999 ?-999 ?-999 ? O ACT A 501 mASP.A 98 18.81 19.25 37.15 18.89 18.29 37.41 16.57 20.24 36.21 15.85 20.49 35.24 18.03 19.68 35.97 18.01 18.57 34.90 2 0 28.01-999 ?-999 ?-999 ? O ACT A 501 mGLY.A 99 16.19 20.49 37.46 16.86 20.19 38.15 13.68 20.23 37.99 12.60 20.77 38.24 14.93 21.12 37.78-999.99-999.99-999.99 1 0 26.06-999 ?-999 ?-999 ? O ACT A 501 mARG.A 100 13.82 18.90 37.85 14.66 18.61 37.39 12.69 18.17 39.83 13.72 18.40 40.49 12.78 17.97 38.33 13.19 16.53 38.10 2 0 22.69-999 ?-999 ?-999 ? O ACT A 501 mVAL^A 101 11.50 17.97 40.39 10.78 17.71 39.74 10.43 16.98 42.30 9.52 16.56 41.56 11.28 18.14 41.83 10.57 19.44 42.15 3 0 19.99-999 ?-999 ?-999 ? O ACT A 501 mILE^A 102 10.72 16.45 43.48 11.62 16.71 43.83 9.30 16.23 45.47 10.11 16.76 46.26 9.76 15.58 44.17 10.37 14.20 44.44 3 0 16.23-999 ?-999 ?-999 ? O ACT A 501 mGLY^A 103 8.00 16.12 45.68 7.48 15.82 44.87 7.13 15.04 47.65 6.54 14.16 47.04 7.39 16.39 46.98-999.99-999.99-999.99 1 0 14.42-999 ?-999 ?-999 ? O ACT A 501 mILE^A 104 7.65 14.84 48.86 8.34 15.52 49.09 6.24 14.27 50.71 6.53 15.22 51.46 7.24 13.71 49.74 8.42 13.11 50.54 3 0 11.17-999 ?-999 ?-999 ? OXT ACT A 501 mHIS^A 105 5.09 13.64 50.78 5.05 12.82 50.21 3.15 12.92 52.19 3.35 11.76 51.82 3.97 14.09 51.62 3.09 15.10 50.93 3 0 9.90-999 ?-999 ?-999 ? O ACT A 501 mARG^A 106 2.26 13.27 53.09 2.37 14.21 53.42 -0.16 12.96 53.23 -0.40 14.14 53.53 1.20 12.35 53.56 1.34 12.18 55.08 2 0 -7.80-999 ?-999 ?-999 ? O ACT A 501s mASN^A 107 -1.04 12.18 52.63 -0.68 11.29 52.35 -3.29 12.00 53.51 -3.17 10.81 53.85 -2.41 12.57 52.39 -2.94 12.07 51.04 2 0 8.84-999 ?-999 ?-999 ? O ACT A 501 mTHR^A 108 -4.07 12.88 54.10 -3.89 13.82 53.81 -6.43 13.03 54.64 -6.53 14.05 53.94 -5.08 12.50 55.07 -4.75 12.97 56.46 2 0 9.87-999 ?-999 ?-999 ? CH3 ACT A 501 mALA^A 109 -7.48 12.33 55.03 -7.28 11.53 55.60 -9.85 11.81 55.29 -9.49 10.75 55.76 -8.83 12.74 54.62 -8.98 12.60 53.14 2 0 12.50-999 ?-999 ?-999 ? CH3 ACT A 501 mGLU^A 110 -11.13 12.23 55.25 -11.24 13.16 54.90 -13.30 11.36 54.59 -13.57 12.37 53.92 -12.24 11.39 55.67 -12.86 11.95 56.94 2 0 14.50-999 ?-999 ?-999 ? CH3 ACT A 501 mARG^A 111 -13.93 10.21 54.45 -13.61 9.49 55.06 -15.91 8.92 53.93 -15.51 7.75 53.98 -14.99 10.04 53.47 -14.38 9.67 52.14 2 0 16.45-999 ?-999 ?-999 ? CH3 ACT A 501 mGLY.A 112 -17.15 9.27 54.24 -17.33 10.26 54.17 -17.63 7.32 55.72 -17.58 6.13 55.51 -18.15 8.28 54.67-999.99-999.99-999.99 1 0 18.94-999 ?-999 ?-999 ? CH3 ACT A 501 mGLY.A 113 -17.20 7.85 56.85 -17.27 8.84 56.91 -15.34 6.24 57.66 -14.87 5.48 58.53 -16.67 6.97 57.91-999.99-999.99-999.99 1 0 17.51-999 ?-999 ?-999 ? CH3 ACT A 501 mLYS^A 114 -14.70 6.45 56.50 -15.21 6.98 55.82 -12.34 7.04 56.44 -12.67 8.19 56.19 -13.35 5.92 56.29 -13.18 5.31 54.91 2 0 13.88-999 ?-999 ?-999 ? CH3 ACT A 501 mARG^A 115 -11.12 6.67 56.84 -11.01 5.69 56.97 -8.89 7.28 56.10 -8.59 6.12 55.85 -10.05 7.63 57.05 -9.67 7.64 58.53 2 0 11.16-999 ?-999 ?-999 ? CH3 ACT A 501 mLEU^A 116 -8.32 8.32 55.48 -8.78 9.19 55.66 -5.90 8.58 55.38 -5.89 9.59 56.06 -7.13 8.17 54.63 -7.26 9.05 53.40 3 0 8.45-999 ?-999 ?-999 ? CH3 ACT A 501 mASP^A 117 -4.85 7.82 55.23 -5.04 6.98 54.72 -2.48 7.43 55.06 -2.17 6.27 55.39 -3.53 8.22 55.78 -3.44 7.97 57.27 2 0 -5.62-999 ?-999 ?-999 ? CH3 ACT A 501s mVAL^A 118 -1.93 8.05 54.00 -2.19 9.01 53.88 0.17 8.24 52.75 0.05 9.46 52.78 -1.01 7.34 53.13 -1.66 6.87 51.82 3 0 -3.67-999 ?-999 ?-999 ? O ACT A 501s mGLY^A 119 1.32 7.64 52.51 1.29 6.65 52.60 2.58 8.44 50.62 2.19 7.47 49.95 2.50 8.44 52.13-999.99-999.99-999.99 1 0 -4.04-999 ?-999 ?-999 ? O ACT A 501s mCYH^A 120 3.17 9.50 50.07 3.53 10.16 50.72 4.51 10.42 48.22 4.90 11.32 48.96 3.25 9.63 48.61 1.99 10.38 48.13 2 0 6.75-999 ?-999 ?-999 ? O ACT A 501 mCYH^A 121 5.14 10.04 47.11 4.91 9.11 46.83 5.50 11.34 45.05 5.12 10.49 44.23 6.11 10.92 46.38 7.38 10.19 46.11 2 0 10.11-999 ?-999 ?-999 ? O ACT A 501 mILE^A 122 5.36 12.66 44.87 5.55 13.24 45.66 6.17 13.63 42.82 6.94 14.45 43.35 4.98 13.18 43.56 3.98 14.32 43.64 3 0 13.05-999 ?-999 ?-999 ? O ACT A 501 mVAL^A 123 6.36 13.09 41.61 5.73 12.34 41.41 6.81 14.69 39.82 5.84 14.48 39.17 7.41 13.58 40.68 7.96 12.45 39.79 3 0 16.18-999 ?-999 ?-999 ? O ACT A 501 mPHE^A 124 7.40 15.88 39.89 8.14 15.89 40.56 8.10 17.33 38.03 9.31 17.42 38.29 7.04 17.07 39.11 7.00 18.30 40.00 3 0 19.30-999 ?-999 ?-999 ? O ACT A 501 mGLU^A 125 7.60 17.50 36.82 6.62 17.31 36.77 7.89 19.31 35.31 6.66 19.58 35.38 8.40 17.93 35.68 8.17 16.94 34.52 2 0 22.73-999 ?-999 ?-999 ? O ACT A 501 mPHE^A 126 8.83 20.15 34.86 9.72 19.72 34.73 8.84 21.91 33.12 9.72 21.32 32.48 8.60 21.54 34.57 9.53 22.35 35.51 3 0 25.84-999 ?-999 ?-999 ? O ACT A 501 mLYS^A 127 8.09 22.89 32.66 7.35 23.14 33.29 8.22 25.01 31.60 7.19 25.56 32.00 8.32 23.55 31.38 7.32 23.09 30.31 2 0 29.36-999 ?-999 ?-999 ? O ACT A 501 mASN.A 128 9.31 25.70 31.34 10.07 25.15 31.00 8.85 27.57 32.92 8.10 28.50 33.10 9.33 27.17 31.55 8.56 27.86 30.45 2 0 31.94-999 ?-999 ?-999 ? O ACT A 501 mGLY.A 129 9.29 26.81 33.91 9.82 26.01 33.63 7.60 26.81 35.82 7.28 27.03 37.00 8.97 27.19 35.30-999.99-999.99-999.99 1 0 29.51-999 ?-999 ?-999 ? O ACT A 501 mARG^A 130 6.77 26.23 34.94 7.12 26.15 34.00 5.42 24.24 35.35 6.12 23.61 34.63 5.47 25.76 35.36 4.38 26.30 34.44 2 0 27.66-999 ?-999 ?-999 ? O ACT A 501 mVAL^A 131 4.53 23.65 36.13 3.98 24.28 36.67 3.82 21.68 34.82 2.76 22.21 34.40 4.43 22.17 36.16 3.53 21.72 37.35 3 0 24.33-999 ?-999 ?-999 ? O ACT A 501 mILE^A 132 4.49 20.75 34.15 5.38 20.52 34.55 3.43 18.70 33.24 2.66 18.14 32.48 3.95 20.12 32.95 4.95 20.22 31.80 3 0 25.26-999 ?-999 ?-999 ? O ACT A 501 mASP^A 133 3.93 18.07 34.33 4.56 18.61 34.89 3.79 16.43 36.14 4.81 16.86 36.71 3.58 16.72 34.66 4.46 15.75 33.90 2 0 21.85-999 ?-999 ?-999 ? O ACT A 501 mGLY^A 134 2.80 15.81 36.74 1.98 15.70 36.18 2.45 13.88 38.15 1.49 13.48 37.51 2.88 15.34 38.10-999.99-999.99-999.99 1 0 18.19-999 ?-999 ?-999 ? O ACT A 501 mARG^A 135 3.23 13.08 38.89 3.97 13.55 39.36 3.06 11.21 40.40 4.13 11.24 40.99 2.99 11.64 38.99 4.02 10.89 38.17 2 0 15.50-999 ?-999 ?-999 ? O ACT A 501 mGLU^A 136 1.90 10.82 40.93 1.14 10.93 40.30 2.33 8.87 42.42 1.89 7.95 41.65 1.76 10.30 42.31 0.27 10.28 42.66 2 0 11.86-999 ?-999 ?-999 ? O ACT A 501 mHIS^A 137 3.17 8.63 43.44 3.46 9.44 43.95 3.29 7.09 45.27 4.02 7.52 46.16 3.63 7.33 43.78 5.16 7.16 43.64 3 0 9.60-999 ?-999 ?-999 ? O ACT A 501 mPHE^A 138 2.19 6.41 45.54 1.66 6.16 44.73 2.59 4.88 47.38 3.02 4.04 46.58 1.80 6.09 46.91 0.30 5.78 47.01 3 0 5.99-999 ?-999 ?-999 ? O ACT A 501 mTYR.A 139 2.92 4.84 48.66 2.67 5.64 49.19 2.55 2.59 49.29 2.62 1.66 48.56 3.60 3.70 49.20 4.20 4.01 50.59 3 0 -4.24-999 ?-999 ?-999 ? O ACT A 501s mASP~A 140 1.56 2.78 50.13 1.64 3.62 50.66 -0.72 2.13 49.27 -1.69 2.76 49.67 0.44 1.75 50.21 0.02 1.59 51.63 2 0 -3.90-999 ?-999 ?-999 ? O ACT A 501s mLEU~A 141 -0.57 1.77 48.01 0.28 1.26 47.86 -2.91 1.43 47.30 -3.97 1.96 47.06 -1.57 2.10 46.97 -1.06 1.61 45.63 3 0 6.92-999 ?-999 ?-999 ? O ACT A 501 mTYR~A 142 -2.83 0.27 47.94 -1.90 -0.05 48.10 -4.91 0.36 49.32 -6.14 0.40 49.22 -4.07 -0.44 48.35 -3.67 -1.85 48.83 3 0 8.61-999 ?-999 ?-999 ? O ACT A 501 mALA~A 143 -4.28 1.01 50.29 -3.30 0.84 50.34 -5.64 3.04 50.50 -6.78 3.46 50.87 -4.96 1.89 51.18 -4.03 2.44 52.27 2 0 6.88-999 ?-999 ?-999 ? CH3 ACT A 501 mTRP~A 144 -4.94 3.62 49.50 -4.03 3.25 49.32 -6.78 4.22 48.02 -7.85 4.84 48.07 -5.56 4.73 48.76 -4.51 5.28 47.78 3 0 7.99-999 ?-999 ?-999 ? O ACT A 501 mASP~A 145 -6.62 3.12 47.33 -5.70 2.72 47.38 -8.92 2.15 47.45 -10.10 2.38 47.07 -7.74 2.57 46.57 -7.35 1.42 45.69 2 0 11.19-999 ?-999 ?-999 ? O ACT A 501 mGLU~A 146 -8.60 1.52 48.57 -7.63 1.28 48.66 -10.40 2.45 50.03 -11.63 2.40 50.05 -9.62 1.22 49.57 -9.03 0.50 50.77 2 0 11.69-999 ?-999 ?-999 ? CH3 ACT A 501 mPHE~A 147 -9.73 3.55 50.39 -8.73 3.45 50.38 -11.38 5.32 49.69 -12.41 5.91 50.05 -10.41 4.79 50.76 -9.36 5.89 51.06 3 0 11.52-999 ?-999 ?-999 ? CH3 ACT A 501 mTRP~A 148 -11.02 5.19 48.41 -10.17 4.66 48.29 -12.83 4.81 46.77 -13.55 5.13 45.82 -11.77 5.75 47.30 -10.83 6.13 46.12 3 0 14.27-999 ?-999 ?-999 ? O ACT A 501 mARG~A 149 -12.84 3.59 47.28 -12.17 3.46 48.01 -15.21 3.06 46.93 -15.55 3.62 47.99 -13.76 2.56 46.81 -13.55 1.33 47.68 2 0 16.34-999 ?-999 ?-999 ? CH3 ACT A 501