HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-DEC-06 2O6K COMPND UPF0346 PROTEIN MW1311; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 196620; SOURCE 4 STRAIN: MW2; SOURCE 5 GENE: MW1311; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR J.BENACH,M.ABASHIDZE,J.SEETHARAMAN,D.WANG,Y.FANG,R.XIAO,K.CUNNINGHAM, AUTHOR 2 L.-C.MA,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 11 8 HET MSE A 57 8 HET MSE B 11 8 HET MSE B 57 8 mTYR.A 4 31.17 51.95 -4.11 31.51 52.69 -4.69 29.21 51.10 -2.90 28.83 52.22 -2.60 30.66 50.85 -3.23 31.47 50.79 -1.92 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 5 28.40 50.05 -2.97 28.84 49.20 -3.24 26.80 50.07 -1.15 27.73 49.72 -0.43 26.98 50.18 -2.66 26.17 49.08 -3.35 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 6 25.60 50.37 -0.66 24.93 50.65 -1.35 25.58 48.87 1.24 26.15 48.64 2.30 25.33 50.28 0.76 23.88 50.65 1.04 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 7 25.12 47.91 0.43 24.67 48.24 -0.39 26.76 46.13 0.93 27.13 45.47 1.90 25.28 46.50 0.75 24.67 45.65 -0.36 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 8 27.60 46.57 -0.01 27.18 47.10 -0.74 29.58 46.84 1.36 30.33 46.16 2.07 29.02 46.27 0.07 29.77 46.84 -1.13 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 9 29.26 48.09 1.65 28.72 48.56 0.95 29.22 47.86 4.10 30.01 47.56 4.98 29.67 48.70 2.91 29.11 50.12 3.05 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 10 27.95 47.48 4.11 27.42 47.81 3.33 28.24 45.38 5.37 28.42 44.91 6.49 27.41 46.65 5.17 25.94 46.28 4.91 3 0 1000.00-999 ?-999 ?-999 ? mMETA 11 28.71 44.87 4.39 28.41 45.41 3.61 30.83 43.82 5.20 31.23 42.89 5.84 29.54 43.68 4.38 29.82 43.23 2.95 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 12 31.40 45.03 5.14 30.96 45.67 4.50 32.21 45.55 7.43 33.08 45.52 8.28 32.56 45.35 5.95 33.32 46.58 5.41 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 13 30.93 45.77 7.70 30.34 45.79 6.90 30.23 44.64 9.80 30.25 44.59 11.03 30.46 45.96 9.07 29.18 46.82 9.11 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 14 30.02 43.57 9.04 30.05 43.74 8.06 30.85 41.91 10.66 32.04 42.12 10.43 29.77 42.26 9.63 29.74 41.18 8.54 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 15 30.41 41.38 11.79 29.42 41.26 11.86 31.36 42.02 13.97 31.70 41.67 15.10 31.34 41.01 12.84-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 16 31.00 43.27 13.68 30.73 43.42 12.73 30.13 43.83 15.88 29.05 43.30 15.65 31.01 44.30 14.72 30.49 45.63 14.16 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 17 30.58 44.04 17.11 31.43 44.56 17.16 28.81 44.51 18.82 28.81 44.83 20.01 29.85 43.54 18.27 30.81 43.08 19.36 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 18 27.92 44.99 17.95 28.12 44.75 17.00 25.60 45.63 17.40 25.62 44.77 16.53 26.77 45.78 18.36 27.15 47.25 18.54 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 19 24.59 46.47 17.56 24.75 47.17 18.26 23.60 46.52 15.28 22.92 45.88 14.48 23.36 46.37 16.78 22.34 47.41 17.26 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 20 24.55 47.37 14.90 25.01 47.84 15.65 25.44 46.25 12.94 25.09 45.83 11.84 24.87 47.55 13.50 25.88 48.69 13.33 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 21 26.31 45.61 13.71 26.52 46.05 14.58 25.82 43.28 13.17 25.84 42.44 12.27 26.89 44.35 13.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~A 22 24.87 43.30 14.10 24.96 44.02 14.78 22.92 42.54 12.86 22.53 41.58 12.19 23.80 42.32 14.07 22.98 42.39 15.37 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 23 22.60 43.79 12.56 22.98 44.48 13.18 22.51 43.76 10.13 21.91 43.32 9.14 21.76 44.11 11.40 21.37 45.60 11.38 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 24 23.82 43.97 10.16 24.16 44.34 11.03 24.52 42.21 8.67 24.40 41.85 7.50 24.67 43.69 9.02 26.14 43.99 9.35 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 25 24.53 41.37 9.69 24.63 41.78 10.60 23.03 39.57 8.90 22.92 38.70 8.04 24.41 39.94 9.46 24.69 39.15 10.74 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 26 21.98 40.24 9.37 22.18 40.93 10.06 20.54 40.40 7.41 19.92 39.72 6.58 20.65 39.94 8.86 19.58 40.61 9.72 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 27 21.12 41.55 7.09 21.54 42.04 7.86 21.84 40.99 4.83 21.40 40.69 3.73 21.13 42.01 5.71 21.78 43.41 5.60 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 28 22.94 40.45 5.34 23.23 40.84 6.21 22.77 38.14 4.44 22.79 37.55 3.36 23.65 39.38 4.66 24.92 38.99 5.41 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 29 22.02 37.76 5.46 22.07 38.36 6.26 19.96 36.78 4.50 19.32 35.82 4.09 21.18 36.57 5.39 20.74 36.14 6.78 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 30 19.64 38.03 4.21 20.24 38.72 4.63 18.87 38.18 1.87 19.43 39.08 1.25 18.52 38.36 3.35 18.05 39.79 3.62 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 31 18.50 37.04 1.32 18.00 36.42 1.93 18.18 37.69 -1.07 18.52 37.67 -2.25 18.82 36.73 -0.07 18.42 35.29 -0.41 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 32 17.27 38.52 -0.60 17.16 38.50 0.39 16.97 40.85 -1.44 16.52 41.67 -2.23 16.51 39.40 -1.49 15.02 39.31 -1.18 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 33 17.88 41.16 -0.52 18.23 40.38 -0.01 18.95 43.13 -1.56 19.70 42.46 -2.26 18.32 42.54 -0.31 19.29 42.62 0.87 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 34 18.66 44.39 -1.84 18.07 44.84 -1.16 20.65 45.36 -2.96 21.04 46.22 -2.19 19.17 45.03 -3.05 18.33 46.31 -3.15 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 35 21.46 44.66 -3.75 21.00 44.22 -4.52 23.70 45.68 -4.17 24.87 45.87 -3.88 22.90 44.57 -3.49 23.42 43.21 -3.94 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 36 23.07 46.40 -5.09 22.09 46.23 -5.16 23.29 48.79 -5.74 23.76 49.71 -6.41 23.80 47.36 -5.90 23.81 46.94 -7.37 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 37 22.33 48.97 -4.85 22.08 48.14 -4.34 22.42 51.09 -3.57 22.99 50.55 -2.63 21.71 50.27 -4.64 20.23 50.10 -4.28 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 38 22.39 52.40 -3.75 21.90 52.70 -4.57 22.10 54.44 -2.39 22.40 55.19 -1.46 23.03 53.31 -2.81 24.32 53.89 -3.40 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 39 20.97 54.57 -3.08 20.82 53.86 -3.76 19.18 55.37 -1.61 18.63 54.28 -1.48 20.06 55.66 -2.82 19.19 55.94 -4.04 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 40 19.06 56.35 -0.72 19.44 57.22 -1.02 16.95 55.71 0.41 16.52 54.74 1.01 18.41 56.13 0.56 18.51 57.39 1.43 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 41 16.19 56.46 -0.38 16.66 57.24 -0.80 14.57 54.73 -1.16 13.70 54.00 -0.68 14.79 56.13 -0.61 14.15 57.17 -1.53 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 42 15.35 54.35 -2.17 16.00 55.05 -2.48 15.38 52.00 -1.63 14.54 51.12 -1.45 15.23 53.02 -2.75 16.34 52.74 -3.79 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 43 16.47 52.12 -0.86 17.06 52.89 -1.11 15.69 51.20 1.35 15.26 50.14 1.80 16.76 51.20 0.25 18.12 51.54 0.85 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 44 15.27 52.38 1.78 15.71 53.17 1.35 12.91 51.91 2.34 12.22 51.23 3.09 14.25 52.48 2.81 14.09 53.92 3.29 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 45 12.56 52.18 1.09 13.13 52.87 0.64 11.51 50.00 0.60 10.55 49.36 1.01 11.43 51.51 0.44 11.36 51.88 -1.04 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 46 12.67 49.42 0.29 13.38 50.05 -0.02 12.63 47.49 1.84 11.90 46.53 2.07 12.84 47.98 0.41 14.21 47.53 -0.10 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 47 13.28 48.14 2.80 13.81 48.93 2.48 11.78 47.79 4.72 11.34 46.92 5.46 13.20 47.70 4.18 14.19 48.49 5.07 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 48 11.06 48.85 4.33 11.55 49.48 3.73 8.74 47.93 4.27 7.98 47.37 5.05 9.68 49.03 4.77 9.16 50.41 4.35 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 49 8.85 47.60 2.99 9.60 48.06 2.52 8.41 45.18 2.45 7.59 44.28 2.59 7.95 46.64 2.36 7.70 47.02 0.90 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 50 9.72 44.95 2.37 10.27 45.78 2.33 11.02 43.28 3.63 11.28 42.12 3.93 10.26 43.60 2.35 11.18 43.41 1.14 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 51 11.36 44.32 4.38 10.95 45.19 4.10 11.72 43.29 6.58 10.58 43.44 7.01 12.27 44.18 5.49-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 52 12.53 42.35 7.03 13.44 42.35 6.61 13.18 41.28 9.13 13.70 40.20 9.38 12.12 41.40 8.05 11.84 40.04 7.42 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 53 13.50 42.40 9.76 12.89 43.16 9.58 14.23 42.60 12.10 13.15 43.11 12.39 14.66 42.47 10.64 15.56 43.64 10.24 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 54 15.08 42.15 13.01 15.95 41.82 12.64 15.10 43.46 15.09 14.64 43.75 16.19 14.74 42.14 14.42 15.42 40.97 15.15 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 55 15.92 44.26 14.42 16.21 43.91 13.53 15.47 46.68 14.52 14.85 46.61 13.46 16.36 45.53 14.97 17.82 45.81 14.61 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 56 15.43 47.73 15.33 16.01 47.62 16.14 15.06 49.63 13.79 16.25 49.62 13.45 14.61 48.92 15.06 14.85 49.78 16.30 3 0 1000.00-999 ?-999 ?-999 ? mMETA 57 14.12 50.24 13.10 13.20 50.17 13.50 15.52 51.98 12.04 16.26 52.26 11.11 14.40 50.96 11.86 13.14 51.67 11.37 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 58 15.62 52.54 13.24 14.94 52.22 13.90 18.05 52.97 13.31 18.97 53.71 12.95 16.65 53.53 13.53 16.51 54.05 14.96 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 59 18.22 51.68 13.52 17.41 51.19 13.86 19.90 51.12 11.79 21.03 51.45 11.47 19.50 51.04 13.27 19.54 49.58 13.75 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 60 18.95 50.85 10.90 18.10 50.49 11.29 19.58 52.49 9.17 20.55 52.72 8.47 19.18 51.05 9.48 17.97 50.67 8.64 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 61 18.81 53.44 9.68 18.02 53.10 10.20 20.53 55.17 9.93 21.28 55.82 9.21 19.10 54.85 9.50 18.12 55.72 10.30 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 62 20.90 54.71 11.12 20.18 54.21 11.61 23.28 54.28 10.74 24.32 54.87 10.47 22.24 54.92 11.65 22.36 54.36 13.07 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 63 22.98 53.07 10.28 22.11 52.71 10.60 24.08 53.11 8.07 25.21 53.23 7.60 23.87 52.36 9.38 23.33 50.95 9.10 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 64 23.00 53.63 7.49 22.14 53.41 7.94 23.88 55.73 6.52 24.67 56.14 5.69 23.11 54.44 6.29 21.75 54.74 5.67 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 65 23.63 56.37 7.65 22.90 55.97 8.21 25.89 57.26 8.06 26.68 58.03 7.53 24.39 57.55 8.04 23.92 58.08 9.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 66 26.27 56.15 8.67 25.53 55.63 9.09 28.22 55.49 7.30 29.32 55.90 6.98 27.67 55.74 8.71 27.85 54.50 9.58 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 67 27.42 54.82 6.48 26.60 54.47 6.92 28.18 55.90 4.37 29.22 55.92 3.71 27.74 54.61 5.07 26.53 53.99 4.36 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 68 27.40 56.96 4.52 26.60 56.82 5.10 29.00 58.88 4.37 29.81 59.35 3.58 27.71 58.22 3.86 26.52 59.20 3.92 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 69 29.18 58.90 5.69 28.39 58.60 6.22 31.60 58.52 5.72 32.65 59.06 5.38 30.44 59.33 6.28 30.40 59.19 7.80 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 70 31.40 57.21 5.64 30.47 56.94 5.91 32.83 56.58 3.75 34.02 56.55 3.42 32.40 56.26 5.18 31.82 54.84 5.24 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 71 31.85 56.89 2.91 30.94 56.87 3.30 32.97 58.50 1.47 34.00 58.56 0.79 32.14 57.23 1.52 30.84 57.43 0.74 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 72 32.54 59.52 2.20 31.70 59.34 2.71 34.69 60.57 2.71 35.58 61.34 2.36 33.26 60.78 2.23 32.54 61.77 3.16 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 73 34.92 59.51 3.47 34.12 58.92 3.61 37.21 58.60 3.05 38.37 58.97 2.99 36.24 59.26 4.03 36.12 58.40 5.29 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 74 36.72 57.63 2.30 35.99 57.09 2.71 37.09 58.69 0.16 36.49 59.65 0.63 37.24 57.40 0.96 36.50 56.24 0.29 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 75 37.65 58.72 -1.04 38.07 57.86 -1.34 38.03 61.14 -1.00 39.10 61.14 -0.38 37.61 59.94 -1.84 36.20 60.18 -2.38 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 4 43.19 42.88 26.40 44.14 43.09 26.16 41.08 43.62 27.63 39.94 43.40 28.02 41.79 42.58 26.75 41.70 41.20 27.42 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 5 41.71 44.75 27.94 42.64 44.83 27.56 40.20 46.79 28.00 40.25 46.87 26.77 41.05 45.77 28.77 42.07 46.54 29.60 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 6 39.45 47.60 28.74 39.57 47.49 29.73 39.24 49.58 27.25 38.89 49.75 26.09 38.53 48.55 28.13 37.67 49.26 29.17 3 0 1000.00-999 ?-999 ?-999 ? mTYR~B 7 40.23 50.27 27.82 40.41 50.06 28.77 41.50 50.64 25.76 41.34 51.20 24.69 40.97 51.26 27.05 42.12 51.85 27.86 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 8 42.12 49.48 25.89 42.18 49.14 26.83 41.56 48.49 23.71 41.78 48.66 22.52 42.65 48.77 24.74 43.32 47.47 25.17 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 9 40.39 48.08 24.18 40.38 47.90 25.17 38.87 49.17 22.56 38.59 49.12 21.37 39.24 47.90 23.31 38.03 47.38 24.08 3 0 1000.00-999 ?-999 ?-999 ? mVAL~B 10 38.85 50.29 23.26 39.09 50.19 24.22 39.46 51.90 21.50 39.06 52.42 20.47 38.50 51.56 22.64 38.46 52.72 23.65 3 0 1000.00-999 ?-999 ?-999 ? mMETB 11 40.74 51.60 21.70 40.95 51.29 22.63 41.28 51.08 19.33 41.54 51.60 18.26 41.74 51.72 20.64 43.08 51.13 21.09 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 12 40.58 49.95 19.43 40.43 49.63 20.37 38.87 49.92 17.63 38.53 49.65 16.48 40.09 49.26 18.25 39.79 47.78 18.56 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 13 38.20 50.79 18.38 38.57 50.90 19.30 37.40 52.79 17.13 36.64 53.25 16.29 37.04 51.50 17.87 36.01 51.80 18.98 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 14 38.56 53.36 17.45 39.09 52.86 18.14 38.91 54.49 15.33 39.22 53.45 14.77 38.99 54.61 16.83 40.42 54.94 17.23 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 15 38.49 55.57 14.67 38.28 56.36 15.24 36.97 55.26 12.74 36.60 55.69 11.65 38.38 55.54 13.23-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.B 16 36.17 54.56 13.55 36.59 54.29 14.41 33.99 55.52 12.89 33.96 56.43 13.72 34.80 54.24 13.16 34.13 53.40 14.24 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 17 33.31 55.56 11.75 33.34 54.72 11.21 31.19 56.85 11.94 30.20 56.91 11.22 32.60 56.77 11.35 32.58 56.91 9.83 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 18 31.14 56.85 13.27 32.00 56.62 13.72 30.21 57.66 15.40 31.36 57.92 15.74 29.91 57.17 13.98 28.97 55.96 14.01 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 19 29.17 57.80 16.20 28.31 57.42 15.85 30.24 57.68 18.41 30.90 58.28 19.26 29.29 58.44 17.50 27.92 58.60 18.16 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 20 30.32 56.37 18.24 29.72 56.00 17.53 32.67 55.88 18.66 33.54 56.01 19.52 31.23 55.56 19.04 30.98 54.07 18.84 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 21 32.91 55.98 17.35 32.13 55.81 16.75 34.64 57.67 17.45 35.80 57.90 17.78 34.24 56.31 16.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~B 22 33.65 58.56 17.56 32.76 58.23 17.25 34.18 59.87 19.58 35.09 60.56 20.04 33.87 59.90 18.09 32.67 60.80 17.78 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 23 33.44 59.08 20.35 32.72 58.57 19.88 35.09 58.38 21.94 35.91 58.85 22.73 33.70 58.99 21.78 32.65 58.13 22.47 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 24 35.36 57.33 21.17 34.62 57.07 20.55 37.80 57.64 21.01 38.82 57.57 21.69 36.65 56.65 21.23 36.71 55.55 20.18 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 25 37.64 58.56 20.05 36.77 58.50 19.55 38.82 60.53 20.96 39.93 60.96 21.27 38.67 59.54 19.78 38.37 60.31 18.50 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 26 37.71 60.87 21.60 36.87 60.46 21.25 38.51 61.09 23.88 39.29 61.73 24.58 37.76 61.77 22.74 36.35 62.14 23.19 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 27 38.26 59.79 24.07 37.59 59.39 23.44 40.44 59.04 24.80 41.28 59.29 25.67 38.94 59.06 25.12 38.40 57.63 25.24 3 0 1000.00-999 ?-999 ?-999 ? mPHE~B 28 40.78 58.73 23.56 40.02 58.47 22.96 42.81 60.11 23.47 43.91 60.16 24.01 42.17 58.76 23.13 42.29 58.48 21.63 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 29 42.10 61.19 23.16 41.18 60.99 22.83 42.80 62.95 24.75 43.54 63.88 25.06 42.64 62.53 23.30 41.77 63.54 22.55 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 30 42.10 62.27 25.65 41.58 61.51 25.27 43.30 62.04 27.76 43.29 60.87 28.15 42.10 62.64 27.05 40.80 62.20 27.73 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 31 44.34 62.85 27.93 44.15 63.80 27.69 45.51 61.74 29.79 46.31 60.89 30.16 45.63 62.37 28.41 46.63 63.52 28.44 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 32 44.50 62.16 30.54 43.87 62.78 30.08 43.29 60.65 32.08 42.92 60.30 33.20 44.35 61.73 31.92 44.04 62.92 32.81 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 33 42.80 60.13 30.97 43.11 60.56 30.12 42.47 57.84 31.80 43.63 57.47 31.59 41.88 59.00 31.02 41.47 58.54 29.61 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 34 41.68 57.26 32.69 40.79 57.69 32.80 42.19 54.85 32.53 41.19 54.19 32.31 42.13 56.08 33.43 41.05 55.92 34.51 3 0 1000.00-999 ?-999 ?-999 ? mLYS.B 35 43.38 54.56 32.01 44.14 55.06 32.44 43.57 52.18 31.45 43.77 51.23 30.70 43.55 53.61 30.92 44.85 53.88 30.17 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 36 43.37 52.03 32.75 43.05 52.85 33.22 42.34 50.25 34.08 42.34 49.17 34.67 43.60 50.76 33.40 44.75 50.87 34.41 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 37 41.27 51.02 33.97 41.40 51.83 33.39 39.04 49.99 33.72 38.85 50.37 32.57 40.03 50.70 34.63 39.40 51.95 35.24 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 38 38.42 48.93 34.24 38.65 48.76 35.20 36.07 48.31 33.95 35.12 47.96 33.26 37.50 48.12 33.47 37.89 46.64 33.56 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 39 35.93 48.87 35.15 36.75 49.31 35.50 33.70 49.92 35.39 34.09 51.06 35.21 34.66 48.83 35.87 34.90 48.98 37.38 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 40 32.45 49.54 35.19 32.23 48.62 35.52 31.26 51.72 35.28 31.26 52.79 34.68 31.49 50.42 34.53 30.16 49.70 34.30 3 0 1000.00-999 ?-999 ?-999 ? mASN~B 41 31.07 51.64 36.60 31.11 50.71 36.96 32.02 53.77 37.51 31.87 54.99 37.63 30.82 52.83 37.42 30.38 52.42 38.83 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 42 33.22 53.21 37.49 33.22 52.21 37.42 34.59 54.83 36.29 34.80 56.04 36.34 34.44 54.01 37.57 35.69 53.13 37.75 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 43 34.47 54.16 35.15 34.29 53.18 35.26 33.41 55.78 33.67 33.56 56.91 33.17 34.59 54.83 33.86 34.62 53.79 32.74 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 44 32.24 55.32 34.10 32.27 54.40 34.49 31.11 57.40 34.80 30.67 58.45 34.33 31.02 56.11 34.00 29.82 55.30 34.48 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 45 31.70 57.32 35.99 31.99 56.39 36.24 32.85 59.47 36.21 32.61 60.67 36.22 31.88 58.48 36.85 32.38 58.07 38.23 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 46 33.93 58.95 35.64 34.00 57.95 35.71 34.29 60.58 33.82 34.41 61.79 33.75 34.91 59.79 34.98 36.11 58.97 34.49 3 0 1000.00-999 ?-999 ?-999 ? mILE~B 47 33.63 59.86 32.92 33.58 58.88 33.12 31.99 61.52 32.12 31.94 62.60 31.54 33.04 60.48 31.74 32.46 59.41 30.80 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 48 31.17 61.18 33.12 31.36 60.28 33.51 30.63 63.40 34.08 29.98 64.42 33.91 30.10 62.05 33.59 29.29 61.38 34.70 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 49 31.80 63.38 34.71 32.29 62.52 34.65 33.35 65.34 34.63 33.92 66.29 35.15 32.30 64.56 35.41 32.85 64.18 36.79 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 50 33.59 64.94 33.39 32.99 64.22 33.05 34.18 66.18 31.31 33.47 65.57 30.52 34.67 65.54 32.60 35.77 64.52 32.32 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 51 34.59 67.43 31.10 35.41 67.69 31.61 34.22 68.09 28.74 33.51 68.57 27.87 33.89 68.32 30.20-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.B 52 35.29 67.35 28.47 35.82 67.05 29.26 34.67 66.02 26.48 34.63 65.83 25.27 35.62 67.04 27.09 37.08 66.60 26.93 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 53 33.88 65.37 27.33 34.05 65.58 28.29 31.48 65.05 26.98 31.00 65.31 28.08 32.87 64.43 26.87 32.93 63.14 27.69 3 0 1000.00-999 ?-999 ?-999 ? mTHR.B 54 30.84 65.29 25.84 31.33 64.99 25.02 28.52 65.21 24.95 27.38 65.65 24.82 29.53 65.94 25.82 29.65 67.41 25.36 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 55 28.93 64.10 24.36 29.92 63.96 24.36 27.02 62.64 24.84 27.37 62.54 26.01 27.98 63.16 23.78 28.70 62.01 23.09 3 0 1000.00-999 ?-999 ?-999 ? mPRO~B 56 25.80 62.30 24.44 25.61 62.52 23.48 25.42 60.40 25.96 26.07 59.62 25.27 24.84 61.67 25.34 23.67 61.32 24.42 3 0 1000.00-999 ?-999 ?-999 ? mMETB 57 25.19 60.21 27.25 24.62 60.90 27.68 25.42 57.75 27.25 26.13 56.77 27.40 25.74 59.06 27.96 25.22 59.01 29.40 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 58 24.34 57.74 26.47 23.87 58.63 26.39 24.98 55.99 24.86 25.02 54.81 24.57 23.91 56.53 25.81 22.61 56.77 25.03 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 59 25.84 56.88 24.39 25.65 57.83 24.64 27.98 55.66 24.36 28.36 54.57 23.93 26.97 56.48 23.56 27.66 57.67 22.89 3 0 1000.00-999 ?-999 ?-999 ? mPHE~B 60 28.40 56.17 25.51 28.07 57.10 25.71 28.64 54.08 26.78 29.30 53.06 26.81 29.27 55.40 26.38 29.66 56.17 27.64 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 61 27.35 54.13 27.09 26.95 55.05 27.08 26.75 51.88 26.33 27.14 50.75 26.59 26.61 52.92 27.42 25.13 53.24 27.67 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 62 26.45 52.26 25.09 26.18 53.22 24.99 27.98 50.90 23.74 28.23 49.78 23.30 26.54 51.32 23.99 25.92 51.90 22.72 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 63 28.92 51.79 24.02 28.57 52.67 24.34 30.81 50.44 24.87 31.54 49.52 24.52 30.34 51.48 23.86 31.19 52.75 23.96 3 0 1000.00-999 ?-999 ?-999 ? mTYR~B 64 30.38 50.59 26.12 29.84 51.42 26.28 30.05 48.26 26.90 30.67 47.23 27.11 30.69 49.62 27.16 30.32 50.13 28.55 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 65 28.79 48.28 26.46 28.37 49.18 26.42 28.90 46.31 25.01 29.09 45.10 25.08 28.12 47.04 26.09 26.68 47.30 25.64 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 66 29.36 47.05 24.01 29.14 48.02 24.08 31.39 45.85 23.50 31.82 44.75 23.13 30.13 46.46 22.91 30.50 47.51 21.85 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 67 32.01 46.59 24.42 31.58 47.48 24.58 32.97 44.77 25.78 33.77 43.85 25.60 33.19 46.12 25.11 33.65 47.16 26.14 3 0 1000.00-999 ?-999 ?-999 ? mTHR~B 68 31.89 44.64 26.54 31.32 45.46 26.61 31.43 42.22 26.21 31.93 41.13 26.45 31.59 43.37 27.20 30.37 43.47 28.14 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 69 30.75 42.46 25.10 30.33 43.37 25.05 31.99 41.10 23.45 32.37 39.94 23.37 30.64 41.44 24.06 29.64 41.84 22.97 2 0 1000.00-999 ?-999 ?-999 ? mTRP~B 70 32.71 42.13 23.02 32.20 42.99 22.97 34.89 41.12 23.61 35.57 40.19 23.19 34.12 42.01 22.65 34.76 43.40 22.59 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 71 34.77 41.41 24.90 34.15 42.17 25.08 35.13 39.20 25.92 36.01 38.35 25.98 35.47 40.68 25.94 35.15 41.27 27.31 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 72 33.85 38.90 25.84 33.24 39.69 25.77 33.93 36.76 24.63 34.45 35.65 24.76 33.39 37.51 25.84 31.86 37.45 25.91 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 73 33.79 37.34 23.44 33.28 38.20 23.46 35.85 36.49 22.40 36.35 35.46 21.97 34.36 36.76 22.24 34.11 37.67 21.03 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 74 36.54 37.43 23.02 36.00 38.22 23.29 38.28 36.13 24.20 39.16 35.32 23.91 37.97 37.31 23.29 38.47 38.61 23.92 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 75 37.55 36.03 25.31 36.92 36.80 25.45 37.53 33.59 25.51 38.22 32.62 25.82 37.67 34.92 26.25 36.57 35.00 27.31 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 76 36.64 33.56 24.53 36.51 34.44 24.06 36.27 31.95 22.77 35.88 30.87 22.32 35.92 32.36 24.18 34.42 32.59 24.30 3 0 1000.00-999 ?-999 ?-999 ? mHIS~B 77 36.99 32.80 22.05 37.20 33.67 22.49 38.94 32.32 20.75 39.64 33.34 20.77 37.42 32.43 20.72 36.95 33.46 19.67 3 0 1000.00-999 ?-999 ?-999 ?