HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-MAY-09 3HFI COMPND PUTATIVE REGULATOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 82-251; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O6; SOURCE 3 ORGANISM_TAXID: 217992; SOURCE 4 STRAIN: CFT073; SOURCE 5 GENE: C4276, GI:26250098; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR R.ZHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (MCSG) mTHR.A 25 45.91 62.45 1.30 45.13 63.06 1.17 46.73 60.19 2.19 46.12 60.16 3.26 47.08 61.52 1.50 48.20 62.17 2.38 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 26 47.17 59.10 1.59 47.53 59.24 0.66 48.57 57.27 2.31 49.27 57.24 1.29 47.14 57.81 2.26 46.12 56.86 1.60 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 27 49.01 56.88 3.51 48.35 57.04 4.24 50.25 54.82 4.26 49.46 54.56 5.16 50.35 56.26 3.72 51.17 57.10 4.69 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 28 51.04 53.90 3.71 51.60 54.23 2.95 51.85 52.51 5.48 52.94 53.01 5.53 51.07 52.53 4.19 51.65 51.54 3.15 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 29 51.24 52.02 6.55 50.29 51.75 6.38 52.61 50.54 7.88 53.77 50.42 8.26 51.90 51.89 7.86 50.85 51.94 8.99 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 30 51.91 49.51 7.45 51.01 49.73 7.09 51.75 47.26 6.58 50.61 47.51 6.15 52.46 48.18 7.52 52.46 47.62 9.00 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 31 52.47 46.21 6.21 53.44 46.26 6.45 52.38 43.73 5.92 53.43 43.61 6.46 51.86 45.10 5.51 51.95 45.28 4.00 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 32 51.65 42.69 5.57 50.90 42.89 4.94 51.22 40.35 5.24 50.10 40.65 4.81 51.95 41.37 6.07 51.28 41.27 7.43 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 33 51.82 39.19 5.01 52.78 39.16 5.29 50.67 37.25 5.64 51.51 36.95 6.49 51.10 38.06 4.42 51.99 37.16 3.55 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 34 49.39 36.94 5.78 48.77 37.27 5.07 47.96 35.12 6.54 47.26 35.34 5.57 49.02 36.16 6.94 48.44 37.10 8.02 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 35 47.84 34.03 7.31 48.51 33.92 8.05 45.42 33.73 7.32 45.27 34.40 8.34 46.76 33.08 7.04 47.03 31.90 8.00 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 36 44.46 33.59 6.41 44.76 33.14 5.56 42.46 33.37 7.84 42.47 32.12 7.92 43.08 34.08 6.64 42.25 33.88 5.45 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 37 41.96 34.14 8.82 42.11 35.12 8.72 39.88 33.08 9.47 39.50 33.39 8.34 41.26 33.48 9.94 41.22 34.31 11.23 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 38 39.16 32.32 10.28 39.55 32.19 11.19 36.94 32.84 9.40 36.25 32.72 8.37 37.91 31.75 9.84 37.25 30.89 10.92 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 39 36.88 33.93 10.16 37.52 33.94 10.92 36.23 35.64 8.51 35.40 35.80 7.65 35.89 35.00 9.82 35.89 36.04 10.91 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 40 37.51 35.97 8.35 38.11 35.77 9.12 37.84 35.63 5.93 37.46 36.03 4.80 37.96 36.58 7.12 39.39 37.06 7.27 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 41 38.16 34.35 6.16 38.47 34.14 7.08 36.60 33.26 4.62 36.37 33.20 3.43 38.04 33.38 5.09 38.63 31.98 5.53 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 42 35.64 33.19 5.54 36.01 33.13 6.47 33.77 34.44 4.40 33.13 34.37 3.34 34.18 33.19 5.20 33.38 33.07 6.53 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 43 34.20 35.62 4.85 34.70 35.59 5.72 34.46 36.74 2.64 33.78 37.06 1.69 33.92 36.82 4.06 34.55 38.01 4.75 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 44 35.72 36.33 2.49 36.19 36.06 3.33 36.02 35.03 0.38 36.42 34.90 -0.77 36.34 36.31 1.18 37.84 36.46 1.34 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 45 35.29 34.11 0.98 34.95 34.39 1.88 36.24 32.07 -0.05 36.37 31.63 -1.19 35.00 32.81 0.37 33.99 32.97 -0.78 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 46 37.17 31.95 0.88 36.96 32.43 1.74 38.53 30.18 1.81 37.81 30.26 2.79 38.40 31.18 0.67 39.65 32.08 0.56 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 47 39.49 29.25 1.68 40.02 29.31 0.84 40.41 28.91 3.88 41.37 29.64 3.71 39.73 28.23 2.70 40.55 27.09 2.13 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 48 39.88 28.71 5.09 39.00 28.24 5.11 42.04 28.75 6.19 42.39 27.59 5.83 40.58 29.16 6.27 39.92 28.36 7.39 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 49 42.91 29.69 6.56 42.47 30.54 6.84 45.10 29.87 5.26 46.36 29.92 5.21 44.37 29.45 6.55-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN.A 50 44.34 30.16 4.22 43.35 30.06 4.36 45.61 31.92 3.15 45.02 32.79 3.72 44.94 30.57 2.98 43.88 30.72 1.93 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 51 46.83 32.08 2.65 47.20 31.28 2.17 46.83 34.49 2.11 46.28 34.35 1.02 47.54 33.34 2.80 48.98 33.21 2.30 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 52 46.68 35.59 2.83 46.96 35.50 3.79 47.13 37.90 2.57 48.02 37.74 3.44 46.15 36.80 2.27 44.72 37.11 2.79 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 53 47.00 39.01 1.84 46.33 38.93 1.11 47.05 41.20 3.06 45.90 41.58 2.80 47.80 40.22 2.11 48.13 40.94 0.79 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 54 47.67 41.58 4.17 48.57 41.17 4.32 47.82 43.84 4.84 49.02 43.85 4.73 47.10 42.51 5.09 47.36 42.07 6.50 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 55 47.08 44.94 4.68 46.10 44.77 4.71 47.01 47.19 5.50 45.78 47.25 5.59 47.65 46.27 4.50 47.28 46.78 3.13 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 56 47.82 47.93 6.24 48.80 47.71 6.14 47.71 50.33 6.55 48.91 50.59 6.34 47.30 48.97 7.11 47.87 48.78 8.52 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 57 46.71 51.19 6.35 45.84 50.87 6.73 46.20 53.56 6.43 45.11 53.37 6.98 46.87 52.46 5.65 46.25 52.35 4.26 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 58 46.88 54.71 6.52 47.74 54.73 6.01 46.08 56.91 6.28 46.94 57.31 5.51 46.38 55.83 7.29 47.40 56.30 8.34 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 59 44.83 57.33 6.25 44.22 56.92 6.93 44.25 59.60 5.99 43.52 59.65 6.97 44.41 58.30 5.27 43.10 57.94 4.66 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 60 44.94 60.63 5.50 45.56 60.40 4.76 44.21 62.94 4.98 44.54 62.88 3.78 44.77 61.97 6.04 46.06 62.49 6.70 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 61 43.33 63.81 5.45 43.25 63.77 6.45 42.97 66.14 4.96 42.57 66.68 6.00 42.57 64.71 4.61 41.02 64.43 4.71 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 62 43.84 66.71 4.12 44.11 66.11 3.36 45.40 68.21 5.39 45.60 69.30 5.94 44.34 68.07 4.30-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 63 46.10 67.10 5.66 45.88 66.34 5.05 46.40 66.88 8.15 47.01 67.18 9.19 47.08 67.01 6.75 48.09 68.18 6.71 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 64 45.14 66.45 8.15 44.67 66.52 7.28 44.23 64.42 9.09 43.79 64.07 8.00 44.53 65.91 9.36 43.23 66.65 9.67 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 65 44.48 63.58 10.08 44.82 64.02 10.91 42.75 61.82 9.96 42.09 62.05 10.98 44.25 62.13 9.94 44.95 61.34 11.05 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 66 42.25 61.34 8.82 42.94 61.22 8.11 40.52 59.59 9.14 39.71 59.44 10.05 40.83 61.01 8.64 40.43 61.13 7.15 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 67 41.17 58.58 8.58 41.90 58.81 7.95 41.94 56.25 8.81 42.92 56.48 8.11 40.78 57.23 8.89 39.69 56.78 7.93 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 68 41.78 55.15 9.54 40.96 55.17 10.11 42.02 52.86 8.79 40.90 52.50 9.11 42.71 54.02 9.52 43.10 53.66 10.96 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 69 42.68 52.33 7.76 43.60 52.71 7.64 43.00 50.07 7.02 44.23 50.15 6.86 42.14 51.31 6.91 42.11 51.75 5.44 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 70 42.37 48.93 7.28 41.40 49.07 7.49 42.39 46.78 6.18 41.22 46.40 6.28 43.03 47.61 7.27 42.79 46.94 8.60 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 71 43.12 46.59 5.09 44.02 47.02 5.12 43.18 44.38 4.05 44.34 44.17 4.41 42.65 45.83 3.96 43.17 46.46 2.64 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 72 42.36 43.41 3.69 41.42 43.70 3.52 42.33 41.57 2.18 41.15 41.55 1.86 42.78 42.05 3.57 42.13 41.23 4.66 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 73 43.31 41.15 1.40 44.15 41.00 1.91 43.51 39.49 -0.43 44.54 38.95 -0.01 43.21 40.94 -0.05 44.20 41.88 -0.80 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 74 42.60 38.87 -1.21 41.76 39.38 -1.37 43.87 37.68 -2.88 43.55 38.08 -4.00 42.85 37.55 -1.76 41.55 36.97 -2.31 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 75 45.09 37.32 -2.61 45.18 36.91 -1.70 46.17 36.53 -4.73 46.73 36.81 -5.79 46.19 37.51 -3.55 47.55 37.51 -2.81 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 76 45.46 35.41 -4.59 45.04 35.30 -3.68 44.69 35.06 -6.93 44.95 34.65 -8.04 45.32 34.44 -5.70 44.49 33.25 -5.27 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 77 43.88 36.10 -6.73 43.81 36.38 -5.78 43.99 37.88 -8.50 43.60 38.33 -9.57 43.19 36.76 -7.82 41.86 37.35 -7.26 3 0 1000.00-999 ?-999 ?-999 ? mCYH~A 78 45.06 38.36 -7.84 45.21 37.94 -6.95 47.38 39.03 -8.16 48.05 39.50 -7.20 45.94 39.41 -8.37 45.69 40.81 -7.79 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 79 47.87 38.19 -9.09 47.16 37.77 -9.65 50.07 39.20 -9.33 49.77 40.08 -10.16 49.29 37.90 -9.30 49.31 37.18 -10.67 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 80 50.99 39.33 -8.34 50.94 38.61 -7.65 51.73 41.47 -7.20 52.61 42.33 -6.95 51.97 40.43 -8.28-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~A 81 50.57 41.39 -6.54 50.05 40.55 -6.71 51.03 42.61 -4.45 51.15 43.70 -3.85 50.11 42.47 -5.66 48.63 42.20 -5.17 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 82 51.62 41.49 -4.05 51.43 40.68 -4.59 53.74 42.34 -3.16 54.36 42.79 -2.20 52.47 41.51 -2.88 52.88 40.08 -2.36 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 83 54.10 42.57 -4.43 53.47 42.21 -5.11 55.10 44.78 -4.91 56.06 45.50 -5.07 55.32 43.29 -4.76 55.92 42.76 -6.04 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 84 53.86 45.24 -4.84 53.18 44.54 -4.64 53.95 47.54 -3.83 53.89 47.08 -2.70 53.55 46.67 -5.06 52.00 46.88 -5.42 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 85 54.37 48.78 -4.06 54.60 48.96 -5.02 53.26 50.69 -3.07 53.16 51.58 -3.92 54.48 49.78 -3.00 55.80 50.62 -3.10 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 86 52.35 50.51 -2.12 52.58 49.81 -1.44 51.28 52.65 -1.42 50.28 53.34 -1.20 51.14 51.28 -2.12 49.99 50.46 -1.52 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 87 52.51 53.03 -1.08 53.17 52.29 -0.97 53.00 55.12 -2.27 52.94 56.34 -2.38 52.84 54.45 -0.89 54.13 54.63 -0.06 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 88 53.19 54.30 -3.30 53.17 53.33 -3.04 52.29 54.41 -5.67 52.27 54.90 -6.79 53.43 54.77 -4.68 54.78 54.19 -5.20 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 89 51.37 53.54 -5.26 51.48 53.24 -4.32 49.05 53.11 -5.37 49.09 53.05 -4.15 50.31 53.08 -6.14 50.63 51.69 -6.66 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 90 47.92 53.24 -6.07 48.07 53.37 -7.05 46.07 51.74 -5.39 46.24 50.96 -6.34 46.59 53.19 -5.45 45.60 54.06 -6.23 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 91 45.44 51.38 -4.28 45.19 52.14 -3.67 44.20 49.39 -5.01 44.53 48.42 -5.66 45.17 49.98 -4.01 44.60 49.79 -2.59 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 92 43.03 49.99 -5.16 42.93 50.87 -4.69 42.21 49.40 -7.47 42.01 48.38 -8.13 41.98 49.38 -5.95 40.63 49.89 -5.49 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 93 42.73 50.51 -8.01 42.76 51.32 -7.42 44.21 49.38 -9.62 44.17 48.76 -10.67 43.21 50.48 -9.38 43.89 51.84 -9.54 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 94 45.08 49.12 -8.64 44.97 49.67 -7.81 45.50 46.68 -8.77 45.96 45.80 -9.51 46.09 48.10 -8.80 47.21 48.23 -7.72 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 95 44.53 46.45 -7.91 44.37 47.23 -7.30 43.18 44.97 -9.26 43.34 43.89 -9.83 43.78 45.20 -7.86 42.72 45.28 -6.72 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 96 42.60 46.02 -9.84 42.67 46.88 -9.33 42.92 45.62 -12.24 42.67 44.70 -13.00 41.94 45.91 -11.14 41.08 47.15 -11.46 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 97 44.06 46.33 -12.31 44.15 47.06 -11.64 45.62 44.62 -13.24 45.74 43.94 -14.28 45.06 46.02 -13.31 46.30 46.94 -13.23 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 98 46.06 44.23 -12.06 45.94 44.89 -11.32 45.69 41.77 -12.08 46.09 40.72 -12.55 46.67 42.93 -11.88 47.30 42.82 -10.50 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 99 44.43 41.93 -11.73 44.23 42.82 -11.32 42.89 40.86 -13.36 42.40 39.86 -13.84 43.44 40.88 -11.93 42.29 41.12 -10.94 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 100 43.01 42.00 -14.05 43.68 42.62 -13.65 40.73 42.09 -15.08 40.05 41.64 -15.99 42.25 42.30 -15.26 42.83 41.58 -16.48 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 101 40.24 42.40 -13.89 40.94 42.71 -13.24 38.37 43.67 -13.04 39.17 44.37 -12.46 38.83 42.30 -13.54 38.62 41.27 -12.45 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 102 37.10 44.03 -13.24 36.57 43.41 -13.81 35.88 44.91 -11.37 35.29 43.87 -11.22 36.55 45.24 -12.69 35.54 45.91 -13.67 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 103 36.00 45.83 -10.42 36.70 46.51 -10.62 33.76 46.30 -9.49 33.55 47.38 -10.01 35.18 45.85 -9.21 35.84 46.73 -8.14 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 104 32.81 45.42 -9.20 33.12 44.59 -8.74 30.48 45.76 -8.33 29.38 46.26 -8.57 31.44 45.62 -9.49 30.92 44.50 -10.38 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 105 30.87 45.32 -7.14 31.79 44.93 -7.13 30.83 45.60 -4.69 31.99 45.14 -4.56 30.04 45.42 -5.94 29.18 44.17 -5.65 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 106 30.13 46.16 -3.72 29.17 46.27 -4.00 29.46 46.33 -1.44 28.32 46.67 -1.77 30.60 46.57 -2.42 30.68 48.10 -2.42 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 107 29.77 45.91 -0.21 30.72 45.62 -0.08 29.51 46.49 2.04 30.63 46.12 2.30 28.78 45.89 0.85 28.44 44.44 1.23 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 108 28.84 47.31 2.83 27.92 47.58 2.53 28.45 47.60 5.18 27.25 47.70 5.00 29.42 47.78 4.04 29.73 49.28 3.91 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 109 29.01 47.51 6.37 30.01 47.55 6.34 28.88 48.29 8.59 30.09 48.34 8.70 28.27 47.35 7.60 28.43 45.93 8.06 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 110 28.07 49.12 9.20 27.10 48.95 9.04 28.23 49.89 11.51 27.11 49.51 11.83 28.56 50.19 10.03 27.92 51.52 9.62 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 111 29.18 50.16 12.40 29.99 50.59 11.99 29.83 50.85 14.69 30.84 51.37 14.25 29.05 49.84 13.83 29.56 48.42 14.10 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 112 29.37 51.11 15.90 28.47 50.70 16.08 31.15 51.04 17.56 30.82 49.94 18.00 30.14 51.92 16.89 29.23 52.52 17.93 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 113 32.39 51.49 17.63 32.56 52.30 17.07 34.17 51.81 19.36 34.06 53.03 19.20 33.41 50.81 18.45 34.38 50.04 17.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 114 34.91 51.29 20.33 34.80 50.30 20.44 37.26 51.84 20.71 37.85 50.85 21.16 35.81 52.13 21.15 35.56 51.89 22.64 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 115 37.81 52.72 19.86 37.32 53.59 19.89 40.03 51.42 19.35 40.31 50.49 18.57 38.98 52.48 18.96 39.71 53.86 18.64 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 116 40.61 51.58 20.54 40.20 52.31 21.09 43.00 51.61 21.17 43.06 52.76 20.69 41.74 50.77 21.01-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN~A 117 44.01 51.06 21.85 43.88 50.09 22.08 46.07 52.07 21.04 46.44 53.21 20.77 45.19 51.82 22.24 45.99 51.09 23.31 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 118 46.38 51.00 20.33 45.96 50.15 20.65 46.69 51.79 17.99 47.40 52.54 17.30 47.28 51.06 19.19 47.62 49.67 18.74 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 119 45.44 51.49 17.68 45.05 50.73 18.20 44.50 53.63 17.08 44.56 54.53 16.24 44.70 52.22 16.66 43.32 51.64 16.45 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 120 44.19 53.80 18.37 44.09 52.95 18.88 45.22 55.95 18.61 45.08 57.05 18.12 44.02 55.12 18.97-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~A 121 46.41 55.38 18.81 46.37 54.43 19.11 47.78 56.54 17.14 48.21 57.65 16.85 47.65 56.10 18.59 48.87 55.28 19.09 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 122 47.37 55.72 16.21 47.03 54.84 16.54 46.49 57.30 14.46 46.79 58.07 13.57 47.42 56.13 14.82 47.12 54.94 13.92 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 123 45.35 57.42 15.15 45.26 56.75 15.89 44.29 59.58 15.87 43.53 60.54 15.71 44.35 58.44 14.84 42.99 57.77 14.76 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 124 45.10 59.45 16.91 45.68 58.64 16.85 44.00 60.19 18.97 44.12 60.42 20.14 45.14 60.38 18.03 45.18 61.81 17.57 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 125 42.88 59.75 18.46 42.86 59.63 17.47 42.31 59.03 20.74 43.33 58.39 20.86 41.79 59.48 19.36 40.86 58.40 18.77 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 126 41.58 59.40 21.77 40.85 60.04 21.56 41.52 57.44 22.99 40.46 57.07 22.53 41.84 58.89 23.09 41.00 59.59 24.16 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 127 42.41 56.59 23.43 43.29 56.96 23.73 40.67 55.24 24.06 40.30 56.23 24.66 42.04 55.21 23.43 43.01 54.42 24.30 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 128 39.92 54.17 23.92 40.35 53.44 23.39 37.60 55.17 24.02 36.44 55.16 24.39 38.59 54.09 24.50 38.64 54.02 26.03 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 129 38.06 56.06 23.16 39.05 56.10 23.08 36.27 56.04 21.49 36.72 55.01 21.00 37.14 56.90 22.42 37.90 57.91 21.61 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 130 35.03 56.45 21.25 34.74 57.23 21.80 34.44 56.28 18.83 34.52 57.50 18.59 34.19 55.77 20.26 32.76 56.11 20.72 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 131 34.56 55.35 17.89 34.51 54.41 18.22 33.71 54.97 15.67 33.11 53.99 16.15 34.74 55.71 16.50 36.15 55.37 16.05 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 132 33.49 55.43 14.44 33.91 56.31 14.23 33.55 53.58 12.93 34.65 53.82 12.41 32.67 54.67 13.52 32.06 55.54 12.41 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 133 33.05 52.36 13.03 32.19 52.29 13.54 32.91 50.75 11.24 31.70 50.56 11.34 33.73 51.24 12.44 33.90 50.13 13.45 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 134 33.58 50.54 10.14 34.55 50.81 10.21 33.69 48.69 8.57 34.93 48.62 8.65 32.99 49.99 8.94 33.20 51.00 7.87 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 135 32.92 47.65 8.25 31.97 47.74 8.53 32.97 46.57 6.12 31.78 46.71 5.93 33.47 46.48 7.54 32.97 45.15 8.07 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 136 33.83 46.40 5.14 34.77 46.19 5.44 33.98 45.33 2.99 35.18 45.01 3.07 33.44 46.50 3.77 34.05 47.75 3.18 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 137 33.12 44.70 2.23 32.19 45.07 2.27 33.38 44.08 -0.04 32.37 44.59 -0.40 33.50 43.58 1.39 32.57 42.38 1.67 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 138 34.43 43.88 -0.82 35.14 43.35 -0.36 34.68 43.15 -3.13 35.41 42.21 -2.83 34.57 44.35 -2.20 35.80 45.29 -2.33 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 139 33.92 43.16 -4.24 33.49 44.04 -4.42 34.05 42.38 -6.54 33.73 43.49 -7.00 33.72 42.01 -5.11 32.26 41.59 -5.18 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 140 34.65 41.43 -7.27 35.08 40.70 -6.74 33.33 41.06 -9.31 32.84 41.62 -10.26 34.66 41.49 -8.71 35.72 40.53 -9.21 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 141 32.77 39.99 -8.80 33.28 39.54 -8.07 30.75 39.14 -8.07 31.34 39.01 -6.99 31.50 39.55 -9.30 31.62 38.35 -10.25 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 142 29.47 38.93 -8.26 29.16 39.01 -9.21 29.13 37.40 -6.41 28.96 37.31 -5.22 28.59 38.60 -7.17 27.19 38.29 -7.72 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 143 29.81 36.49 -7.07 29.95 36.69 -8.04 31.79 35.29 -6.10 32.30 34.31 -5.65 30.30 35.31 -6.39 30.01 34.07 -7.26 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 144 32.49 36.39 -6.36 31.93 37.16 -6.66 34.37 37.72 -5.45 34.69 38.74 -6.05 33.92 36.46 -6.21 34.53 36.44 -7.61 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 145 34.41 37.65 -4.11 33.99 36.83 -3.72 36.52 38.77 -3.57 37.12 37.79 -3.99 35.02 38.68 -3.30 34.74 38.21 -1.85 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 146 37.09 39.97 -3.41 36.45 40.71 -3.19 39.18 40.79 -2.35 40.35 40.54 -2.07 38.53 40.15 -3.58 38.90 40.94 -4.82 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 147 38.42 41.59 -1.59 37.45 41.61 -1.82 38.03 42.57 0.58 36.84 42.74 0.28 39.03 42.35 -0.50 39.58 43.69 -1.01 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 148 38.51 42.53 1.84 39.49 42.37 1.86 38.42 43.71 3.93 39.54 43.45 4.41 37.69 42.69 3.06 37.53 41.36 3.83 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 149 37.81 44.88 4.07 36.91 44.91 3.64 37.68 46.35 6.04 36.45 46.22 6.14 38.40 46.01 4.76-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN^A 150 38.45 46.78 7.02 39.43 46.68 6.81 38.44 48.75 8.34 39.65 48.99 8.21 37.97 47.32 8.27 38.57 46.58 9.44 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 151 37.51 49.69 8.55 36.59 49.33 8.74 37.45 51.74 9.83 36.37 51.49 10.34 37.83 51.11 8.50 37.12 51.81 7.35 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 152 38.33 52.59 10.35 39.14 52.73 9.77 38.10 54.72 11.33 39.11 55.32 10.93 38.16 53.25 11.62 39.33 52.93 12.52 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 153 36.92 55.29 11.51 36.28 54.77 12.07 36.42 57.29 12.19 35.69 56.79 13.00 36.60 56.57 10.91 35.13 56.73 10.58 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 154 37.07 58.42 12.44 37.62 58.77 11.69 35.90 60.19 13.65 35.60 60.88 14.63 36.90 59.04 13.78 38.29 59.56 13.33 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 155 35.40 60.41 12.44 35.74 59.78 11.75 33.00 61.10 11.90 32.25 60.96 12.85 34.45 61.48 12.16-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.A 156 32.59 60.97 10.64 33.30 61.07 9.95 30.83 60.10 9.00 31.42 60.42 7.99 31.18 60.69 10.35 30.34 61.95 10.60 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 157 29.83 59.22 8.99 29.36 59.13 9.87 29.74 59.24 6.54 29.65 60.46 6.53 29.47 58.46 7.80 27.99 58.09 7.83 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 158 30.02 58.53 5.45 30.05 57.54 5.60 30.58 58.20 3.01 31.01 58.59 1.93 30.27 59.18 4.15 31.39 60.23 4.28 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 159 30.34 56.92 3.26 30.18 56.69 4.22 28.96 56.06 1.58 28.67 55.44 0.60 30.34 55.95 2.20 30.58 54.56 2.75 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 160 28.10 56.87 2.18 28.45 57.34 2.98 26.62 58.22 0.80 27.13 59.25 1.11 26.76 57.02 1.66 25.79 57.14 2.79 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 161 25.91 58.08 -0.29 25.61 57.14 -0.46 26.23 59.02 -2.52 27.36 58.51 -2.64 25.61 59.22 -1.16-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ?