HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-06 2O9X COMPND REDUCTASE, ASSEMBLY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: AF0173; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR O.KIRILLOVA,M.CHRUSZCZ,T.SKARINA,E.GORODICHTCHENSKAIA,M.CYMBOROWSKI, AUTHOR 2 I.SHUMILIN,A.SAVCHENKO,A.EDWARDS,W.MINOR,MIDWEST CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 114 8 SSBOND 1 CYS A 64 CYS A 132 1555 1555 2.09 mARG.A -8 55.01 52.19 39.35 55.56 51.48 38.91 52.57 53.09 40.18 51.75 53.00 39.21 54.16 53.26 40.01 54.54 54.66 39.50 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A -7 52.23 52.98 41.47 53.04 52.85 42.04 51.16 53.98 43.24 52.33 54.18 43.57 50.89 53.02 42.07 50.43 51.64 42.58 2 0 1000.00-999 ?-999 ?-999 ? mASN.A -6 50.11 54.54 43.85 49.31 53.95 43.96 50.88 56.07 45.61 50.71 55.24 46.47 50.19 55.95 44.32 48.85 56.76 44.37 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A -5 51.66 57.14 45.70 51.70 57.71 44.88 51.54 58.42 47.71 52.04 58.89 48.73 52.38 57.47 46.87 53.83 57.99 46.56 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A -4 50.28 58.72 47.38 49.93 58.44 46.49 48.14 59.20 48.75 47.48 60.05 49.33 49.57 59.45 48.45 49.64 60.93 48.28 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A -3 47.63 58.05 48.39 48.22 57.41 47.90 46.21 56.41 49.26 46.83 55.52 48.67 46.28 57.81 48.75 45.38 58.03 47.55 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A -2 45.47 56.19 50.35 44.83 56.92 50.60 44.98 53.92 50.28 43.81 54.07 50.03 45.65 54.95 51.10 45.03 55.01 52.51 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A -1 45.75 52.96 49.76 46.69 53.24 49.56 44.51 51.19 48.25 43.90 52.01 47.51 45.23 51.61 49.50-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~A 0 44.46 49.88 48.10 44.31 49.38 48.96 43.43 48.71 46.00 43.58 47.83 45.17 44.62 49.22 46.81 45.60 48.10 47.03 3 0 1000.00-999 ?-999 ?-999 ? mMETA 1 42.26 49.27 46.18 42.22 50.08 46.76 41.31 48.42 43.99 40.99 47.35 43.42 41.14 48.65 45.51 39.94 49.52 45.69 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 2 41.79 49.48 43.35 42.04 50.25 43.94 42.91 48.38 41.59 42.58 47.46 40.82 41.95 49.50 41.92 42.52 50.84 41.51 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 3 44.08 48.44 42.24 44.20 49.23 42.85 44.38 46.05 42.13 44.42 45.25 41.19 45.08 47.43 42.06 46.24 47.62 43.07 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 4 43.67 45.80 43.22 43.71 46.55 43.88 42.01 44.12 42.28 42.12 43.01 41.76 42.91 44.58 43.44 42.01 44.91 44.60 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 5 41.06 44.97 41.92 40.89 45.70 42.57 41.21 44.34 39.47 40.91 43.27 38.93 40.35 44.83 40.66 39.69 46.15 40.30 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 6 42.26 45.08 39.08 42.40 45.94 39.56 43.56 43.09 38.22 43.45 42.25 37.30 43.10 44.56 37.98 44.25 45.50 37.53 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 7 44.01 42.77 39.43 44.12 43.54 40.07 43.10 40.51 39.29 43.28 39.52 38.58 44.29 41.36 39.75 44.63 41.09 41.25 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 8 41.90 40.89 39.67 41.80 41.78 40.10 40.63 39.85 37.93 40.47 38.75 37.42 40.82 39.96 39.40 39.52 40.29 40.12 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 9 40.71 40.98 37.25 40.82 41.81 37.79 41.67 40.00 35.19 41.36 39.21 34.28 40.64 40.95 35.81 40.84 42.33 35.24 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 10 42.91 40.07 35.67 43.07 40.82 36.31 43.54 37.69 35.61 43.69 36.76 34.78 43.92 39.10 35.26 45.24 39.40 35.91 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 11 43.07 37.50 36.84 42.98 38.32 37.41 41.65 35.60 36.35 41.67 34.42 36.02 42.73 36.16 37.28 42.39 36.10 38.76 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 12 40.79 36.44 35.83 40.89 37.41 36.06 39.90 36.06 33.46 38.88 36.20 32.79 39.80 35.88 34.96 38.47 36.36 35.39 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 13 41.10 36.08 32.89 41.86 36.17 33.53 41.74 34.56 31.22 41.92 33.81 32.19 41.25 35.96 31.45 42.34 36.91 31.04 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 14 41.97 34.18 29.96 41.59 34.79 29.26 44.12 33.34 30.07 44.60 34.44 29.73 42.72 32.97 29.66 42.71 32.66 28.19 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 15 44.72 32.47 30.91 44.13 31.67 31.05 47.22 32.41 30.66 47.14 31.77 29.64 46.03 32.56 31.57 46.01 31.36 32.51 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 16 48.32 33.02 31.05 48.22 33.61 31.85 50.80 33.28 31.09 50.72 33.85 32.19 49.56 32.81 30.34 49.51 33.33 28.89 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 17 51.95 32.99 30.49 51.90 32.72 29.53 53.15 34.51 31.71 53.21 34.78 32.91 53.18 33.07 31.25 54.41 32.70 30.41 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 18 52.91 35.41 30.77 52.75 35.06 29.85 51.81 37.18 32.15 52.19 37.61 33.26 52.90 36.81 31.10 52.82 37.64 29.83 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 19 50.51 37.02 31.81 50.39 36.69 30.87 49.76 36.74 34.14 49.85 37.53 35.12 49.38 37.29 32.74 47.99 36.78 32.22 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 20 50.06 35.42 34.21 49.95 34.95 33.33 51.63 35.53 36.06 51.66 35.74 37.27 50.49 34.72 35.47 50.83 33.22 35.30 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 21 52.52 36.08 35.22 52.34 35.87 34.26 53.08 38.13 36.40 53.11 38.26 37.63 53.63 36.92 35.70-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS~A 22 52.49 38.99 35.60 52.52 38.75 34.63 51.06 39.89 37.36 51.25 40.55 38.36 51.87 40.19 36.11 51.02 40.85 35.01 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 23 50.21 38.88 37.33 50.23 38.33 36.49 50.06 38.29 39.74 50.00 39.03 40.72 49.33 38.62 38.45 48.44 37.55 38.12 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 24 50.77 37.16 39.75 50.64 36.60 38.93 52.42 38.06 41.34 52.90 38.09 42.45 51.66 36.81 40.87 52.66 35.60 40.56 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 25 52.48 39.10 40.52 51.99 39.00 39.65 52.33 41.36 41.56 52.65 41.86 42.65 53.22 40.30 40.90 53.97 40.87 39.69 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 26 51.24 41.70 40.86 51.20 41.30 39.95 49.89 41.94 42.74 50.17 42.50 43.80 50.21 42.58 41.39 48.97 42.63 40.45 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 27 49.39 40.72 42.71 49.16 40.38 41.80 50.16 40.29 45.01 49.74 40.60 46.12 49.18 39.94 43.91 49.33 38.51 43.58 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 28 51.46 40.21 44.71 51.67 40.05 43.74 52.54 41.79 46.18 52.35 42.07 47.37 52.48 40.34 45.75 53.86 39.77 45.35 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 29 52.74 42.70 45.22 52.98 42.30 44.34 51.46 44.57 46.40 51.69 45.03 47.52 52.62 44.15 45.47-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~A 30 50.21 44.40 45.94 50.17 44.08 44.99 49.01 43.75 48.02 48.16 43.89 48.88 49.03 44.65 46.76 47.70 44.54 45.95 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 31 49.97 42.83 48.11 50.57 42.76 47.31 49.13 40.88 49.50 49.33 40.10 50.42 50.12 42.03 49.30-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 32 48.07 40.78 48.70 48.00 41.50 48.01 47.91 38.35 48.67 48.47 38.11 47.61 47.12 39.66 48.87 45.90 39.82 47.94 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 33 48.02 37.54 49.73 47.27 37.61 50.38 48.97 35.18 49.40 49.69 34.68 48.53 49.18 36.62 49.85 49.74 36.49 51.31 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 34 48.04 34.51 50.08 47.60 35.03 50.82 47.31 33.06 48.25 47.81 32.20 47.49 47.70 33.13 49.76 46.62 32.60 50.74 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 35 46.47 34.01 47.82 46.11 34.59 48.55 47.35 34.32 45.50 47.22 34.34 44.28 46.12 34.17 46.40 45.19 35.39 46.14 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 36 48.53 34.43 46.11 48.52 34.35 47.10 50.44 33.34 45.17 50.94 33.02 44.10 49.73 34.64 45.33 50.62 35.64 45.98 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 37 50.51 32.58 46.25 50.07 32.95 47.07 50.31 30.49 45.25 50.76 29.99 44.21 51.20 31.31 46.18 51.38 30.67 47.58 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 38 49.03 30.44 45.61 48.78 30.99 46.41 48.50 29.79 43.43 48.78 28.80 42.77 48.08 29.65 44.88 46.63 30.09 45.16 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 39 48.62 31.04 42.97 48.43 31.72 43.68 50.46 30.96 41.27 50.71 30.04 40.45 49.00 31.40 41.56 48.69 32.90 41.19 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 40 51.39 31.60 42.00 50.99 32.34 42.55 53.12 29.81 41.66 53.97 29.51 40.80 52.83 31.29 42.00 53.47 31.69 43.36 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 41 52.37 28.90 42.29 51.66 29.28 42.87 51.50 26.64 41.40 50.94 25.69 42.00 52.61 27.45 42.13 52.95 26.83 43.50 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 42 51.18 26.96 40.14 51.58 27.81 39.80 50.76 25.66 37.96 51.49 26.43 37.30 50.28 26.06 39.37 48.80 26.51 39.39 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 43 50.38 24.47 37.51 49.80 23.92 38.12 49.99 24.76 35.16 48.82 24.42 34.97 50.82 24.05 36.19 50.74 22.54 35.94 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 44 50.65 25.70 34.48 51.63 25.72 34.69 49.17 25.83 32.59 48.00 26.15 32.45 50.01 26.62 33.52 51.03 27.44 32.69 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 45 49.76 24.79 32.00 50.72 24.66 32.23 47.69 23.59 31.73 46.66 23.80 31.12 49.03 23.91 31.09 49.80 22.63 30.62 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 46 47.67 23.15 32.98 48.53 23.20 33.48 45.49 23.78 33.79 44.28 23.73 33.55 46.41 22.63 33.51 46.64 21.83 34.75 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 47 46.10 24.86 34.26 47.10 24.79 34.36 44.48 26.40 33.44 43.26 26.58 33.62 45.35 26.03 34.60 46.26 27.19 35.00 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 48 45.09 26.49 32.26 46.08 26.30 32.30 43.19 25.93 30.95 42.04 26.37 30.73 44.37 26.83 31.05 45.17 26.51 29.80 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 49 43.49 24.67 31.12 44.35 24.48 31.59 41.28 23.80 31.32 40.22 23.61 30.66 42.62 23.66 30.66 43.23 22.32 30.96 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 50 41.34 24.14 32.62 42.27 24.23 32.98 39.51 25.61 32.91 38.33 25.62 32.50 40.14 24.36 33.45 40.49 24.54 34.93 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 51 40.34 26.64 32.83 41.27 26.51 33.16 39.02 27.48 31.13 37.85 27.84 31.05 39.86 27.86 32.30 40.96 28.78 31.84 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 52 39.60 26.73 30.22 40.54 26.44 30.43 37.70 25.51 29.32 36.67 25.65 28.67 38.90 26.37 29.03 39.80 25.63 28.09 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 53 37.81 24.58 30.25 38.68 24.53 30.76 35.60 24.62 31.03 34.45 24.47 30.68 36.67 23.74 30.46 36.96 22.52 31.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 54 35.98 25.59 31.84 36.98 25.66 31.94 34.38 27.58 31.72 33.27 28.04 32.03 35.05 26.46 32.52 35.82 27.16 33.60 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 55 35.08 28.08 30.72 35.85 27.55 30.39 34.67 29.29 28.69 33.77 29.88 28.12 34.69 29.33 30.18 35.69 30.38 30.60 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 56 35.66 28.66 28.04 36.32 28.20 28.64 34.84 27.53 25.97 33.87 27.85 25.32 35.75 28.64 26.58 37.23 28.68 26.06 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 57 35.08 26.24 26.25 35.73 26.12 26.99 33.05 24.68 26.01 32.81 24.60 27.24 34.40 25.13 25.48 35.31 23.88 25.29 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 58 32.18 24.36 25.04 32.53 24.54 24.12 30.85 22.27 25.51 30.75 21.50 24.53 30.83 23.80 25.30 29.85 24.20 24.18 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 59 31.01 21.84 26.78 31.25 22.58 27.42 29.36 19.98 26.90 29.15 19.20 25.95 30.84 20.42 27.20 31.32 20.17 28.66 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 60 28.35 20.47 27.67 28.53 20.62 28.64 27.09 22.17 26.35 27.24 22.31 25.13 27.06 20.75 26.98 26.00 20.63 28.10 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 61 26.95 23.19 27.22 26.50 22.92 28.07 28.50 24.86 27.95 28.67 24.13 28.94 27.38 24.56 26.95 26.22 25.55 27.14 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 62 29.28 25.92 27.69 29.15 26.34 26.79 29.60 26.53 30.09 28.54 27.13 30.25 30.25 26.39 28.69 30.91 27.70 28.26 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 63 30.19 25.87 31.09 30.88 25.24 30.74 29.59 27.37 32.96 28.44 27.67 33.11 29.93 25.98 32.51 31.26 25.58 33.13 3 0 1000.00-999 ?-999 ?-999 ? mCSS.A 64 30.59 28.21 33.19 31.50 27.81 33.03 30.78 30.61 32.59 31.83 31.23 32.75 30.38 29.58 33.63 31.24 29.84 34.85 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 65 29.98 30.81 31.53 29.16 30.24 31.49 30.40 33.16 31.17 29.44 33.58 31.84 30.32 31.80 30.52 29.15 31.76 29.55 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 66 31.55 33.81 31.02 32.13 33.36 30.34 31.56 36.29 30.95 32.36 37.19 30.61 32.01 35.01 31.67 33.49 34.82 31.62 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 67 30.25 36.40 30.78 29.72 35.64 31.17 28.42 37.97 30.78 27.54 37.17 31.11 29.65 37.51 30.08 29.19 37.01 28.75 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 68 28.32 39.26 30.94 29.00 39.86 30.52 25.96 39.75 30.90 24.93 40.22 31.37 27.23 39.70 31.70 27.56 41.00 32.33 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 69 26.04 39.25 29.67 26.96 39.09 29.34 24.40 37.60 29.27 23.37 37.49 29.88 24.84 38.96 28.92 25.06 39.07 27.44 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 70 25.17 36.55 28.94 26.03 36.75 28.47 24.05 35.33 30.70 22.87 34.99 30.88 24.68 35.21 29.31 25.71 34.07 29.26 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 71 24.81 35.87 31.66 25.70 36.21 31.40 23.00 36.72 33.13 21.98 36.20 33.60 24.26 35.90 33.01 25.30 36.24 34.06 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 72 23.02 37.97 32.68 23.89 38.29 32.31 20.73 38.27 31.83 19.61 38.08 32.25 21.79 38.76 32.76 22.02 40.22 32.45 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 73 21.06 38.07 30.57 22.03 37.97 30.39 19.93 36.65 28.95 18.98 36.39 28.25 20.02 38.00 29.57 20.21 39.07 28.47 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 74 20.87 35.75 29.15 21.65 36.02 29.71 21.65 34.15 27.46 22.42 33.20 27.63 20.65 34.47 28.53-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.A 75 21.69 34.90 26.36 20.98 35.60 26.28 23.98 35.54 25.56 23.91 36.53 26.29 22.77 34.64 25.38 22.26 34.68 23.93 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 76 25.08 35.17 24.92 25.03 34.24 24.57 26.03 37.09 23.66 25.35 36.83 22.65 26.25 36.05 24.74 27.42 35.31 24.18 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 77 26.67 38.24 23.85 27.21 38.30 24.69 25.18 39.94 22.88 24.59 40.09 21.84 26.55 39.29 22.86 26.89 38.79 21.42 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 78 24.68 40.36 24.04 25.29 40.19 24.82 23.34 42.46 24.63 24.32 43.19 24.47 23.37 41.02 24.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS~A 79 22.19 42.88 25.20 21.52 42.16 25.35 23.14 44.71 26.46 23.76 45.78 26.26 21.97 44.29 25.55 20.53 44.62 26.09 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 80 23.48 43.84 27.42 22.89 43.03 27.44 25.82 44.60 27.58 26.42 45.65 27.94 24.61 44.06 28.33 24.97 42.76 29.01 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 81 26.15 43.86 26.53 25.56 43.07 26.37 27.14 45.53 25.15 28.06 46.29 25.38 27.27 44.17 25.71 27.41 43.16 24.62 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 82 26.02 45.87 24.47 25.39 45.11 24.31 26.06 48.24 25.27 26.93 49.14 25.28 25.82 47.29 24.01 24.51 47.53 23.15 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 83 25.40 47.95 26.38 24.88 47.09 26.36 26.89 49.06 28.05 27.33 50.22 28.30 25.45 48.85 27.50 24.49 48.36 28.57 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 84 27.57 47.94 28.25 27.04 47.10 28.15 29.68 48.98 27.77 30.09 50.05 28.23 28.96 47.94 28.60 29.55 46.58 28.32 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 85 29.77 48.61 26.50 29.33 47.74 26.31 30.00 50.77 25.47 30.84 51.65 25.43 30.43 49.36 25.47 30.14 48.75 24.17 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 86 28.69 50.99 25.54 28.13 50.17 25.56 28.93 53.14 26.61 29.50 54.19 26.34 28.16 52.36 25.58 26.65 52.41 25.94 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 87 28.96 52.58 27.81 28.58 51.66 27.86 31.03 53.43 28.88 31.58 54.40 29.39 29.51 53.29 28.94 29.08 52.57 30.21 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 88 31.70 52.45 28.30 31.17 51.68 27.95 33.35 53.86 27.45 34.00 54.76 27.92 33.13 52.57 28.21 33.78 51.40 27.49 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 89 32.75 53.95 26.29 32.27 53.13 25.99 32.24 56.33 26.28 32.77 57.41 26.10 32.81 55.15 25.54 32.01 54.97 24.27 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 90 31.17 56.17 27.08 30.75 55.27 27.04 31.90 57.77 28.75 32.12 58.94 28.87 30.72 57.32 27.93 29.49 57.07 28.85 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 91 32.70 56.84 29.28 32.43 55.90 29.10 35.04 57.58 29.17 36.19 57.72 29.63 33.88 57.23 30.06 34.25 56.18 31.13 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 92 34.76 57.71 27.89 33.79 57.66 27.66 37.04 57.05 27.02 38.12 57.48 26.65 35.81 57.92 26.93-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 93 36.89 55.84 27.56 36.01 55.73 28.02 37.74 54.31 25.95 36.63 54.42 25.38 37.92 54.77 27.47 37.82 53.72 28.65 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 94 38.81 53.92 25.26 39.69 54.03 25.73 38.74 51.81 23.79 39.86 51.27 23.84 38.61 53.37 23.91 39.50 54.15 22.91 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 95 37.63 51.09 23.61 36.81 51.61 23.40 38.39 48.97 22.62 37.76 48.53 21.67 37.71 49.61 23.75 36.35 48.95 23.90 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 96 39.70 48.89 22.71 40.10 49.09 23.60 40.49 47.03 21.37 41.50 46.52 20.96 40.42 48.52 21.52 41.84 49.11 21.48 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 97 39.41 46.32 21.68 38.57 46.82 21.87 38.81 44.03 20.72 37.77 44.42 20.14 39.57 44.87 21.71 39.47 44.31 23.11 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 98 39.37 42.85 20.57 39.92 42.54 21.35 38.37 40.87 19.74 37.14 40.95 19.60 39.19 42.09 19.39 40.57 41.74 18.81 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 99 39.03 39.78 20.19 40.01 39.96 20.28 37.02 38.55 21.22 36.04 37.86 20.86 38.40 38.46 20.51 39.37 37.56 21.34 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 100 36.94 39.47 22.19 37.64 40.18 22.15 34.96 40.53 23.16 35.31 41.64 22.86 35.94 39.42 23.20 36.66 39.41 24.53 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 101 33.71 40.23 23.50 33.53 39.25 23.60 33.12 42.10 24.88 33.80 41.59 25.79 32.72 41.26 23.69 31.47 40.47 24.09 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 102 32.70 43.36 24.90 32.16 43.61 24.10 32.33 43.87 27.30 32.83 44.31 28.35 32.97 44.28 25.97 32.32 45.57 25.49 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 103 31.27 43.06 27.28 30.99 42.75 26.37 31.21 41.48 29.30 30.81 41.13 30.39 30.59 42.67 28.53 29.07 42.54 28.35 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 104 32.17 40.83 28.69 32.23 41.02 27.71 33.60 40.43 30.73 34.10 41.56 30.78 33.07 39.92 29.38 34.32 39.78 28.49 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 105 33.61 39.59 31.77 33.28 38.67 31.56 35.47 40.66 33.08 35.70 41.75 33.65 34.10 40.03 33.10 34.24 38.90 34.11 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 106 36.42 39.97 32.45 36.12 39.17 31.93 37.91 41.90 32.16 38.67 42.71 32.75 37.80 40.43 32.58 38.78 39.54 31.80 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 107 37.11 42.26 31.16 36.50 41.55 30.81 36.54 44.57 31.66 37.17 45.55 32.05 37.17 43.62 30.66 36.57 43.73 29.24 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 108 35.32 44.24 32.08 35.00 43.34 31.79 35.42 45.44 34.11 35.40 46.55 34.66 34.54 45.13 32.92 33.23 44.46 33.35 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 109 36.23 44.45 34.47 36.16 43.61 33.92 38.17 45.67 35.33 38.09 46.69 36.04 37.13 44.61 35.59 37.74 43.29 36.00 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 110 39.06 45.49 34.32 39.08 44.57 33.94 39.12 47.90 33.91 39.57 48.87 34.49 39.93 46.60 33.85 40.65 46.40 32.43 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 111 37.90 47.93 33.36 37.57 47.08 32.96 36.96 49.66 34.86 37.19 50.83 35.18 37.17 49.19 33.40 35.83 49.13 32.62 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 112 36.51 48.77 35.75 36.39 47.84 35.42 37.55 49.58 37.85 37.65 50.51 38.69 36.21 49.22 37.11 35.34 48.17 37.85 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 113 38.61 48.88 37.52 38.45 48.13 36.87 40.27 50.63 37.72 41.26 51.18 38.19 39.89 49.21 38.08 40.92 48.31 37.45 2 0 1000.00-999 ?-999 ?-999 ? mMETA 114 39.55 51.22 36.79 38.83 50.67 36.37 38.81 53.47 37.08 39.12 54.55 37.54 39.86 52.58 36.45 39.92 52.80 34.94 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 115 37.57 53.01 37.08 37.45 52.12 36.65 35.75 52.89 38.61 34.70 52.35 38.29 36.49 53.76 37.65 35.60 54.18 36.55 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 116 36.34 52.68 39.78 37.19 53.18 39.91 34.49 52.31 41.39 33.73 51.51 41.95 35.78 51.79 40.77 36.87 51.74 41.80 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 117 34.26 53.62 41.30 35.02 54.15 40.93 31.88 53.24 41.28 31.03 52.78 42.10 32.98 54.21 41.71 32.71 55.55 41.04 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 118 31.93 52.87 40.00 32.74 53.15 39.49 30.79 50.63 39.78 30.04 49.88 39.13 30.85 52.12 39.44 30.83 52.28 37.96 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 119 31.53 50.16 40.77 32.16 50.80 41.22 29.90 48.42 41.51 29.29 47.43 41.02 31.35 48.76 41.09 32.35 48.37 42.15 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 120 29.39 49.28 42.41 30.03 49.99 42.69 27.11 48.64 41.90 26.21 47.89 42.23 28.03 49.19 42.95 27.52 50.56 43.37 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 121 27.38 49.00 40.63 28.20 49.56 40.56 26.82 47.25 39.03 25.94 46.40 39.10 26.57 48.63 39.45 26.94 49.45 38.24 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 122 28.05 47.03 38.57 28.68 47.78 38.75 28.42 44.55 38.88 28.49 43.37 38.46 28.42 45.79 37.86 29.69 46.01 36.90 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 123 28.21 44.81 40.18 27.94 45.76 40.36 27.62 42.42 41.24 28.21 41.38 41.51 28.37 43.77 41.25 28.19 44.35 42.65 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 124 26.33 42.41 41.04 25.90 43.23 40.68 25.99 40.23 40.26 26.25 39.06 40.51 25.68 41.17 41.37 24.18 41.33 41.55 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 125 26.01 40.75 39.03 25.73 41.71 38.96 27.79 39.33 38.23 27.99 38.11 38.12 26.43 39.92 37.91 26.43 40.74 36.62 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 126 28.68 40.23 38.69 28.32 41.16 38.70 29.97 38.85 40.27 30.87 38.74 41.05 30.04 39.89 39.13 30.84 41.17 39.56 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 127 28.90 38.08 40.35 28.32 37.97 39.54 27.91 36.22 41.43 28.35 35.19 41.91 28.68 37.46 41.60 27.89 38.39 42.49 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 128 26.76 36.34 40.77 26.43 37.28 40.66 27.15 34.40 39.52 27.31 33.19 39.65 26.04 35.17 40.26 24.86 35.56 39.34 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 129 27.98 35.15 38.81 27.72 36.11 38.72 30.05 33.97 39.27 30.32 32.79 39.25 29.16 34.58 38.22 29.96 35.67 37.49 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 130 30.51 34.81 40.17 30.16 35.74 40.08 31.13 33.08 41.86 32.06 32.32 42.19 31.44 34.42 41.20 31.51 35.49 42.26 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 131 29.83 32.83 42.08 29.23 33.58 41.79 29.37 30.44 41.66 30.05 29.45 41.88 29.33 31.58 42.68 27.93 31.76 43.30 2 0 1000.00-999 ?-999 ?-999 ? mCSS~A 132 28.67 30.59 40.54 28.06 31.38 40.51 30.25 29.09 39.42 30.41 27.92 39.62 28.83 29.65 39.44 28.53 30.33 38.11 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 133 31.27 29.92 39.17 31.03 30.88 39.04 32.93 28.68 40.44 33.35 27.53 40.41 32.62 29.39 39.12 33.69 30.42 38.79 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 134 32.68 29.32 41.59 32.27 30.23 41.49 32.46 27.26 42.90 33.23 26.33 43.11 33.01 28.67 42.89 32.63 29.48 44.16 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 135 31.16 27.06 42.62 30.65 27.91 42.47 31.15 24.90 41.34 31.77 23.85 41.51 30.59 25.69 42.55 29.04 25.65 42.59 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 136 30.99 25.43 40.14 30.70 26.38 40.10 32.70 24.15 38.69 32.87 23.51 37.68 31.24 24.60 38.99 30.52 25.14 37.74 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 137 33.73 24.44 39.51 33.52 25.10 40.23 36.32 24.24 39.99 36.44 25.42 40.33 35.06 23.76 39.28 35.42 23.58 37.78 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 138 37.30 23.33 40.02 37.31 22.75 39.20 39.49 24.07 41.23 39.65 24.74 42.25 38.26 23.17 41.12 38.67 21.69 41.26 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 139 40.38 24.09 40.24 40.18 23.54 39.44 41.06 26.34 40.77 41.36 26.92 41.83 41.58 24.93 40.44 42.56 24.95 39.20 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 140 40.22 26.82 39.85 39.92 26.14 39.19 39.03 28.61 41.06 39.30 29.65 41.64 39.79 28.22 39.82 39.01 28.55 38.53 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 141 38.13 27.74 41.49 37.99 26.95 40.90 38.11 28.88 43.73 37.46 29.82 44.21 37.43 27.95 42.73 37.18 26.66 43.35 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 142 39.39 28.66 44.07 39.85 27.92 43.59 39.65 30.96 44.90 39.03 31.64 45.71 40.00 29.51 45.12 41.53 29.51 45.10 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 143 40.10 31.43 43.77 40.58 30.76 43.20 38.47 33.12 43.46 38.08 34.14 44.03 39.91 32.79 43.39 40.34 32.91 41.94 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 144 37.69 32.25 42.83 38.14 31.42 42.50 35.68 32.86 44.00 34.92 33.85 44.11 36.29 32.51 42.63 35.59 31.33 41.95 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 145 36.07 32.11 45.04 36.65 31.33 44.82 36.24 33.83 46.74 35.59 34.84 46.54 35.62 32.46 46.38 35.90 31.33 47.40 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 146 37.48 33.85 47.20 37.81 32.94 47.46 37.71 36.35 46.62 37.69 37.46 47.19 38.29 35.10 47.31 39.70 34.84 46.78 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 147 37.26 36.15 45.39 37.44 35.25 45.00 35.27 37.58 45.36 35.14 38.73 45.72 36.56 37.18 44.69 36.25 36.70 43.30 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 148 34.33 36.63 45.49 34.56 35.77 45.02 33.44 37.48 47.55 33.15 38.66 47.77 33.06 36.84 46.24 32.27 35.53 46.44 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 149 34.18 36.73 48.38 34.29 35.78 48.08 35.14 38.74 49.42 34.76 39.60 50.23 34.76 37.27 49.61 35.97 36.44 50.04 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 150 35.81 39.04 48.32 36.08 38.26 47.76 34.95 41.39 47.87 34.91 42.42 48.50 36.13 40.42 47.99 36.92 40.50 46.71 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 151 34.02 41.11 47.00 34.01 40.19 46.60 31.97 42.07 47.69 31.11 42.97 47.79 33.12 42.17 46.70 32.69 42.07 45.24 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 152 31.98 40.97 48.44 32.68 40.31 48.18 31.33 41.76 50.69 30.39 42.23 51.36 31.02 40.76 49.55 30.98 39.29 50.05 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 153 32.61 42.10 50.88 33.25 41.57 50.33 32.53 44.58 51.40 32.00 45.35 52.21 33.03 43.18 51.82 34.56 43.19 52.02 2 0 1000.00-999 ?-999 ?-999 ?