HEADER UNKNOWN FUNCTION 02-AUG-07 2QTP COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI DSS-3; SOURCE 3 ORGANISM_TAXID: 246200; SOURCE 4 STRAIN: DSS-3, DSM 15171; SOURCE 5 ATCC: 700808; SOURCE 6 GENE: YP_166079.1, SPO0826; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 51 8 HET MSE A 84 8 HET MSE A 123 8 HET MSE A 163 8 mLYS.A 3 47.43 21.89 23.98 46.54 21.97 23.53 49.89 22.40 23.85 50.81 21.68 23.49 48.76 21.77 24.67 49.12 20.28 24.88 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 4 49.81 23.70 23.54 48.97 24.13 23.89 51.92 25.02 23.68 51.65 25.95 24.42 50.87 24.41 22.76 50.31 25.56 21.84 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 5 53.14 24.50 23.63 53.22 23.70 23.03 54.82 26.38 23.81 55.12 27.36 24.53 54.24 25.08 24.40 55.36 24.05 24.56 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 6 55.00 26.38 22.49 54.64 25.55 22.05 54.97 27.62 20.39 54.61 26.61 19.76 55.64 27.46 21.74 57.10 27.08 21.38 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 7 54.88 28.86 19.92 55.11 29.56 20.60 55.57 30.04 17.98 56.10 30.90 18.66 54.47 29.16 18.56 53.13 29.93 18.45 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 8 55.94 29.82 16.73 55.44 29.08 16.27 56.57 30.95 14.69 55.94 30.11 14.01 56.99 30.61 16.11 58.29 29.84 16.12 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 9 56.88 32.16 14.25 57.35 32.73 14.93 57.86 33.13 12.23 58.62 33.89 12.85 56.57 32.61 12.88 55.43 33.66 12.87 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 10 58.14 32.67 11.01 57.42 32.06 10.68 58.90 33.64 8.92 58.06 33.05 8.24 59.36 33.04 10.24 60.22 31.81 9.88 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 11 59.40 34.83 8.58 59.97 35.27 9.28 60.45 35.73 6.60 61.41 36.21 7.22 59.12 35.44 7.30 58.41 36.79 7.41 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 12 60.48 35.55 5.29 59.62 35.23 4.89 61.32 36.57 3.26 60.45 36.15 2.51 61.67 35.79 4.53 62.31 34.43 4.28 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 13 61.99 37.72 3.06 62.62 37.97 3.79 63.03 38.49 1.03 64.12 38.79 1.51 61.80 38.53 1.88 61.60 40.02 2.20 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 14 62.85 38.19 -0.24 61.90 38.01 -0.49 63.83 39.32 -2.10 62.81 39.50 -2.78 63.95 38.14 -1.19 63.87 36.89 -2.03 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 15 64.86 40.16 -2.07 65.59 39.91 -1.44 65.90 41.22 -4.05 65.84 42.03 -4.95 64.91 41.34 -2.88 65.35 42.53 -2.02 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 16 66.83 40.27 -3.99 66.82 39.74 -3.14 67.84 38.53 -5.27 67.94 37.79 -4.30 67.78 40.03 -5.09 69.20 40.62 -4.82 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 17 67.71 38.06 -6.50 67.62 38.77 -7.19 68.34 36.46 -8.15 68.10 37.28 -9.04 67.71 36.62 -6.78 66.30 36.03 -6.75 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 19 71.00 37.41 -9.08 70.93 37.06 -8.14 70.62 39.75 -9.98 71.05 40.73 -10.57 71.58 38.70 -9.44-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^A 20 69.32 39.58 -9.74 69.13 38.79 -9.15 67.40 41.03 -9.17 66.91 40.26 -8.35 68.28 40.46 -10.29 67.42 39.64 -11.26 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 21 67.20 42.34 -9.16 67.66 42.83 -9.90 64.88 42.59 -8.23 64.21 42.87 -9.20 66.36 43.01 -8.15 66.52 44.56 -8.22 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 22 64.39 41.90 -7.21 65.06 41.74 -6.49 62.13 42.53 -6.52 62.22 42.81 -5.32 63.01 41.43 -7.15 62.92 40.10 -6.34 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 23 61.31 43.17 -7.36 61.35 42.81 -8.30 59.03 44.10 -7.55 58.85 44.14 -8.76 60.44 44.28 -6.97 61.00 45.62 -7.46 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 24 58.02 43.88 -6.69 57.15 43.75 -7.17 58.87 42.55 -4.79 58.93 41.58 -5.54 58.12 43.81 -5.23 56.65 43.75 -4.80 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 25 59.49 42.59 -3.60 59.46 43.47 -3.14 59.20 40.23 -2.94 58.03 40.43 -2.63 60.14 41.39 -3.06 60.55 41.83 -1.64 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 26 59.69 39.02 -3.18 60.64 38.99 -3.50 59.03 37.43 -1.52 60.07 37.63 -0.90 58.89 37.86 -2.98 59.24 36.76 -3.99 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 27 57.96 36.88 -0.95 57.19 36.71 -1.56 57.41 35.21 0.77 56.48 34.72 0.11 57.96 36.58 0.46 57.16 37.63 1.24 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 28 57.99 34.58 1.79 58.76 35.08 2.19 57.32 33.43 3.78 58.09 34.13 4.47 57.53 33.29 2.28 58.57 32.20 2.07 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 29 56.30 32.78 4.31 55.72 32.30 3.64 55.79 31.35 6.16 55.22 30.58 5.38 56.08 32.77 5.75 54.93 33.70 6.15 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 30 56.19 31.00 7.38 56.71 31.71 7.85 55.57 29.90 9.45 56.26 30.66 10.12 55.88 29.70 7.95 57.01 28.62 7.70 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 31 54.49 29.30 9.92 53.98 28.81 9.21 54.22 27.90 11.87 53.80 26.94 11.20 54.09 29.34 11.33 52.64 29.89 11.49 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 32 54.81 27.77 13.05 55.03 28.66 13.47 54.58 26.46 15.11 54.65 27.47 15.85 55.14 26.50 13.68 56.68 26.30 13.75 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 33 54.00 25.31 15.49 53.94 24.64 14.74 54.19 23.82 17.40 54.40 22.85 16.67 53.51 25.06 16.87 52.00 24.90 16.93 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 34 54.58 23.90 18.66 54.46 24.80 19.07 54.09 22.31 20.39 53.70 23.07 21.27 55.14 22.76 19.39 56.48 23.11 20.08 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 35 53.61 21.08 20.23 54.00 20.57 19.46 53.06 19.25 21.77 53.92 18.59 21.25 52.60 20.55 21.13 51.26 20.27 20.39 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 36 52.45 18.89 22.89 51.85 19.59 23.27 51.93 16.54 22.69 50.81 16.75 22.25 52.65 17.60 23.52 52.12 17.62 24.96 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 37 52.61 15.42 22.43 53.55 15.42 22.78 51.28 13.47 22.75 51.92 12.93 23.65 52.02 14.30 21.71 53.14 13.51 21.04 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 38 49.93 13.40 22.66 49.50 13.91 21.92 49.56 11.08 23.60 49.34 10.36 24.57 49.23 12.59 23.67 47.74 12.84 23.34 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 39 50.13 10.63 22.49 50.31 11.33 21.80 51.94 8.94 22.44 52.38 7.88 22.06 50.46 9.24 22.29 49.95 8.79 20.91 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 40 52.71 9.89 22.98 52.24 10.74 23.19 54.26 8.52 24.24 53.55 8.48 25.24 54.11 9.67 23.24 54.81 10.97 23.78 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 41 55.17 7.60 23.95 55.67 7.79 23.11 54.37 5.34 24.72 54.41 4.37 25.45 55.41 6.42 24.81-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 42 53.44 5.48 23.79 53.61 6.25 23.17 52.10 4.01 22.28 52.51 4.59 21.27 52.28 4.60 23.68 51.03 5.42 23.99 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 43 51.46 2.86 22.23 51.23 2.52 23.15 49.60 2.21 20.89 48.92 1.50 21.59 51.11 2.15 20.99 51.63 0.69 21.01 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 44 49.08 3.12 20.07 49.78 3.63 19.57 47.21 3.25 18.47 48.02 3.55 17.60 47.62 3.31 19.93 47.17 4.66 20.50 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 45 45.98 2.85 18.18 45.41 2.65 18.98 44.61 3.85 16.37 44.63 4.28 15.22 45.53 2.71 16.79 44.75 1.41 16.62 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 46 43.79 4.32 17.31 43.91 3.89 18.20 43.46 6.72 17.30 43.67 7.12 18.47 42.82 5.38 17.03 41.55 5.16 17.88 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 47 43.78 7.41 16.21 43.49 6.98 15.35 43.58 9.89 16.11 44.04 10.97 15.81 44.50 8.68 16.27 45.60 8.68 15.19 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 48 42.28 9.69 16.29 42.04 8.75 16.52 41.74 12.03 16.87 41.64 13.12 16.31 41.28 10.75 16.17 39.93 10.25 16.76 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 49 42.24 11.88 18.09 42.34 10.93 18.39 43.66 13.88 18.20 43.59 15.11 18.25 42.59 13.02 18.91 43.08 12.55 20.29 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 50 44.61 13.26 17.52 44.60 12.26 17.58 45.03 14.66 15.49 45.51 15.70 15.09 45.60 14.04 16.77 46.86 13.24 16.46 3 0 1000.00-999 ?-999 ?-999 ? mMETA 51 44.04 14.02 14.83 43.76 13.14 15.22 42.61 15.82 14.02 42.66 16.82 13.31 43.42 14.59 13.64 42.52 13.57 12.91 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 52 41.85 15.73 15.11 41.86 14.83 15.55 42.00 18.01 15.99 41.75 19.14 15.64 41.07 16.87 15.60 40.20 16.48 16.78 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 53 43.10 17.71 16.68 43.16 16.74 16.91 44.77 19.39 15.79 44.97 20.58 15.71 44.11 18.76 17.04 45.21 18.18 17.98 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 54 45.08 18.56 14.81 44.90 17.60 15.00 44.72 19.95 12.80 45.17 20.89 12.20 45.63 19.03 13.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~A 55 43.42 19.68 12.82 43.19 18.83 13.29 42.52 22.01 12.76 42.55 22.96 12.01 42.44 20.58 12.19 41.02 20.01 12.31 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 56 42.55 22.13 14.10 42.51 21.24 14.57 43.98 24.10 14.59 44.04 25.31 14.45 42.64 23.43 14.80 42.32 23.32 16.33 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 57 45.05 23.32 14.55 44.85 22.34 14.68 46.55 24.39 12.93 47.11 25.46 12.75 46.38 23.86 14.33 47.48 22.86 14.64 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 58 46.08 23.67 11.94 45.64 22.81 12.21 45.56 25.48 10.34 46.11 26.38 9.67 46.21 24.14 10.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~A 59 44.36 25.63 10.89 44.01 24.81 11.34 44.42 27.97 11.57 44.58 29.07 11.06 43.63 26.88 10.84 42.24 26.69 11.46 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 60 44.89 27.66 12.77 44.71 26.72 13.06 46.91 29.08 12.91 47.17 30.29 12.81 45.61 28.61 13.59 45.94 28.00 14.96 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 61 47.71 28.13 12.44 47.34 27.20 12.55 48.82 29.06 10.44 49.58 29.96 10.06 48.99 28.42 11.82 49.88 27.17 11.77 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 62 47.80 28.63 9.70 47.29 27.87 10.09 47.15 30.76 8.56 47.56 31.58 7.76 47.51 29.27 8.41-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 63 46.39 31.08 9.60 46.10 30.28 10.14 47.24 33.25 10.38 47.35 34.42 10.01 46.01 32.44 9.93 44.94 32.45 11.03 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 64 48.13 32.65 11.17 47.89 31.72 11.44 50.20 33.70 10.36 50.76 34.80 10.29 49.35 33.35 11.58 50.19 32.55 12.59 2 0 1000.00-999 ?-999 ?-999 ? mCYH~A 65 50.27 32.79 9.39 49.78 31.95 9.60 50.50 34.28 7.40 51.28 35.15 7.03 51.00 33.05 8.14 50.94 31.84 7.21 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 66 49.19 34.34 7.16 48.67 33.56 7.51 48.67 36.77 7.24 48.92 37.81 6.67 48.59 35.46 6.43 47.13 35.15 5.93 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 67 48.49 36.71 8.55 48.19 35.82 8.90 50.14 38.36 9.31 50.37 39.55 9.25 48.70 37.88 9.39 48.35 37.61 10.84 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 68 51.12 37.46 9.29 50.80 36.51 9.36 52.85 38.53 7.88 53.68 39.42 7.84 52.52 37.84 9.19 53.42 36.60 9.37 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 69 52.24 38.09 6.80 51.59 37.35 6.98 51.54 39.78 5.19 51.64 40.41 4.16 52.48 38.62 5.48 52.23 37.55 4.42 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 70 50.62 40.04 6.10 50.65 39.45 6.90 48.87 40.96 4.64 48.66 41.93 3.93 49.65 41.11 5.92-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE.A 71 48.43 39.74 4.33 48.69 39.01 4.96 46.33 38.87 3.48 46.16 38.38 4.59 47.63 39.55 3.12 48.38 38.74 2.02 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 72 45.42 38.89 2.51 45.66 39.47 1.73 44.58 36.75 2.07 45.51 36.62 1.28 44.19 38.14 2.57 43.11 38.79 1.69 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 73 43.93 35.69 2.57 43.24 35.93 3.25 44.16 34.07 0.63 44.87 33.22 0.11 44.23 34.32 2.14 43.16 33.50 2.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 74 43.28 34.78 -0.05 42.74 35.42 0.50 44.40 35.19 -2.24 44.67 34.79 -3.37 43.16 34.63 -1.49 41.84 35.27 -1.96 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 75 45.17 36.06 -1.60 44.84 36.33 -0.70 47.62 35.58 -2.14 48.64 35.81 -2.79 46.42 36.57 -2.20 46.85 37.89 -1.54 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 76 47.51 34.50 -1.36 46.64 34.44 -0.88 48.80 32.71 -2.55 47.85 32.21 -3.11 48.59 33.50 -1.25 48.27 32.53 -0.11 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 77 50.05 32.59 -2.98 50.71 33.04 -2.39 50.62 30.34 -3.99 50.26 29.54 -4.84 50.40 31.86 -4.21 51.69 32.47 -4.81 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 78 51.22 29.96 -2.87 51.45 30.73 -2.27 51.22 28.29 -1.09 51.24 29.22 -0.29 51.53 28.56 -2.54 53.03 28.27 -2.67 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 79 50.96 27.02 -0.75 50.91 26.41 -1.54 51.53 25.23 0.81 51.83 24.53 -0.15 50.78 26.56 0.63 49.31 26.28 0.97 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 80 51.78 24.86 2.06 51.53 25.55 2.74 52.32 23.35 3.87 52.12 24.30 4.62 52.36 23.56 2.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^A 81 52.49 22.11 4.30 52.64 21.43 3.59 53.37 20.58 6.00 53.61 19.78 5.13 52.46 21.79 5.71 51.02 21.55 6.15 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 82 53.90 20.50 7.21 53.66 21.25 7.82 54.63 19.20 9.07 54.19 20.09 9.78 54.77 19.40 7.61 56.26 19.74 7.35 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 83 55.11 18.05 9.54 55.43 17.41 8.84 56.37 16.90 11.28 56.75 16.03 10.51 55.14 17.78 10.98 53.84 17.11 11.46 2 0 1000.00-999 ?-999 ?-999 ? mMETA 84 57.00 17.18 12.40 56.63 17.97 12.89 57.73 15.88 14.22 57.47 16.65 15.16 58.13 16.41 12.86 59.39 17.25 12.98 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 85 57.65 14.56 14.34 57.85 14.05 13.50 58.61 13.65 16.40 59.63 13.26 15.82 57.30 13.94 15.62 56.34 12.71 15.41 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 86 58.58 13.90 17.70 57.72 14.31 18.01 59.94 12.10 18.72 59.07 11.25 18.37 59.70 13.60 18.59-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.A 87 61.08 11.77 19.29 61.55 12.56 19.69 60.67 9.32 19.99 60.68 8.15 19.58 61.59 10.39 19.33 63.04 10.39 19.95 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 88 59.87 9.69 20.99 59.95 10.66 21.23 57.60 8.56 20.98 56.74 7.79 21.43 58.97 8.71 21.66 58.83 9.02 23.15 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 89 57.42 9.26 19.86 58.16 9.88 19.63 56.47 8.16 17.87 57.44 7.41 17.84 56.24 9.11 19.04-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 90 55.53 8.17 16.93 54.79 8.82 17.13 55.25 8.25 14.56 54.57 9.26 14.70 55.53 7.35 15.73 54.42 6.29 15.76 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 91 55.71 7.84 13.38 56.20 6.97 13.41 54.03 8.76 11.85 53.64 9.79 11.30 55.51 8.59 12.16 56.23 7.91 11.00 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 92 53.21 7.76 12.21 53.68 6.99 12.64 51.11 8.93 12.76 50.06 9.40 12.36 51.76 7.81 11.99 51.06 6.50 12.43 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 93 51.73 9.35 13.87 52.53 8.82 14.12 51.35 11.82 13.80 50.45 12.66 13.84 51.24 10.51 14.62 51.95 10.65 15.97 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 94 52.43 11.95 13.06 53.09 11.21 13.18 51.61 12.99 11.01 51.00 13.99 10.62 52.62 13.09 12.14 54.07 13.11 11.58 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 95 51.43 11.81 10.44 52.06 11.10 10.76 49.01 12.08 9.92 48.29 12.77 9.19 50.38 11.60 9.44 50.33 10.17 9.02 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 96 48.65 11.70 11.15 49.35 11.19 11.64 47.20 13.49 11.88 46.19 14.08 11.49 47.35 12.01 11.72 47.16 11.30 13.08 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 97 48.21 14.11 12.47 48.96 13.52 12.76 48.03 16.32 11.33 47.31 17.30 11.27 48.17 15.56 12.68 49.33 16.06 13.65 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 98 48.56 15.80 10.24 49.01 14.92 10.42 47.30 16.00 8.05 47.15 16.47 6.91 48.48 16.42 8.91 49.76 16.06 8.12 3 0 1000.00-999 ?-999 ?-999 ? mHIS.A 99 46.50 15.08 8.55 46.73 14.83 9.49 44.31 15.47 7.31 44.00 15.51 6.13 45.40 14.48 7.78 44.78 13.35 8.59 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 100 43.75 16.28 8.21 44.09 16.21 9.15 43.14 18.20 6.74 44.27 18.67 6.82 42.69 17.20 7.76 42.29 17.93 9.05 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 101 42.27 18.55 5.80 41.40 18.06 5.83 42.70 20.96 5.52 41.98 21.19 6.49 42.61 19.59 4.80 41.59 19.57 3.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 102 43.59 21.86 5.11 44.14 21.56 4.32 42.40 23.97 5.97 41.63 24.15 5.02 43.72 23.17 5.80 44.77 24.07 5.11 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 116 46.46 19.80 -4.90 46.48 19.98 -5.88 47.67 20.12 -2.79 48.70 20.35 -3.44 46.43 19.52 -3.47 46.34 18.01 -3.18 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 117 47.54 20.39 -1.50 46.64 20.16 -1.13 49.71 19.94 -0.34 49.40 18.89 0.21 48.62 20.99 -0.69 48.02 21.63 0.60 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 118 50.98 20.22 -0.68 51.16 21.09 -1.15 52.21 19.12 1.19 52.03 20.10 1.91 51.98 19.21 -0.32 53.24 19.69 -1.05 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 119 52.53 17.93 1.67 52.51 17.18 1.00 54.07 16.81 3.23 54.32 16.02 2.35 52.88 17.76 3.08 51.68 17.24 3.86 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 120 54.83 16.91 4.32 54.62 17.69 4.91 55.86 15.62 6.06 55.47 16.44 6.87 55.89 15.93 4.58 57.28 16.43 4.16 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 121 56.27 14.42 6.42 56.55 13.84 5.66 57.67 13.40 8.07 58.22 12.73 7.21 56.30 14.00 7.82 55.20 12.97 8.11 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 122 58.22 13.68 9.25 57.63 14.25 9.83 59.54 12.88 11.17 58.75 13.41 11.92 59.53 13.20 9.67 60.57 14.32 9.43 2 0 1000.00-999 ?-999 ?-999 ? mMETA 123 60.47 12.03 11.59 60.91 11.53 10.84 62.08 12.73 13.23 62.92 12.79 12.39 60.82 11.85 12.99 61.15 10.40 13.25 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 124 62.19 13.39 14.35 61.41 13.32 14.97 63.63 14.37 16.08 62.97 13.78 16.93 63.40 14.16 14.62-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^A 125 64.56 15.25 16.37 64.99 15.66 15.57 65.12 17.11 17.83 65.04 17.83 16.81 64.91 15.59 17.73 66.13 14.78 18.15 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 126 65.31 17.63 19.06 65.39 16.97 19.81 66.43 19.75 18.32 67.56 19.30 18.27 65.40 19.08 19.22 65.77 19.24 20.69 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 127 66.03 20.80 17.61 65.06 21.02 17.69 67.11 21.08 15.37 67.73 21.76 14.59 66.96 21.56 16.80-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN^A 128 66.54 19.93 15.01 66.04 19.45 15.73 65.74 20.24 12.73 64.61 20.64 13.09 66.65 19.44 13.65 66.25 17.98 13.52 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 129 66.25 20.42 11.51 67.14 20.00 11.38 64.46 20.38 9.80 64.61 19.21 9.45 65.58 21.17 10.47 66.59 21.69 9.40 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 130 63.30 21.02 9.67 63.29 21.94 10.07 61.95 21.23 7.71 61.86 22.45 7.75 62.14 20.43 8.99 60.86 20.53 9.87 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 131 61.89 20.53 6.59 62.01 19.54 6.70 60.17 21.18 5.04 59.54 20.14 5.01 61.67 21.16 5.32 62.40 20.38 4.25 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 132 59.60 22.38 4.91 60.22 23.15 5.03 57.99 22.70 3.10 58.45 23.67 2.54 58.17 22.51 4.62 57.53 23.66 5.38 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 133 57.34 21.76 2.43 57.01 20.99 2.98 56.17 23.02 0.62 55.35 23.43 1.43 57.13 21.88 0.99 56.56 20.51 0.61 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 134 56.30 23.56 -0.58 57.04 23.16 -1.12 54.94 24.29 -2.45 55.72 24.28 -3.40 55.43 24.64 -1.04 56.16 25.99 -1.07 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 135 53.66 23.98 -2.57 53.14 24.01 -1.72 52.32 24.79 -4.38 51.51 25.37 -3.64 53.11 23.62 -3.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS^A 136 52.56 25.14 -5.64 53.28 24.59 -6.07 50.48 25.74 -6.78 49.52 26.49 -6.77 51.85 26.23 -6.33 52.65 26.74 -7.55 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 146 58.91 20.28 -5.59 59.25 19.49 -6.09 59.53 22.38 -4.36 60.66 21.95 -4.12 58.41 21.45 -4.86 57.52 21.01 -3.67 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 147 59.20 23.67 -4.23 58.32 23.90 -4.64 59.87 24.32 -2.05 59.18 23.34 -1.70 60.06 24.64 -3.55 59.63 26.07 -3.91 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 148 60.46 25.12 -1.16 61.02 25.85 -1.54 60.85 25.93 1.17 61.52 26.88 0.74 60.27 24.88 0.26-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE^A 149 60.58 25.78 2.46 59.94 25.05 2.68 61.59 25.78 4.64 60.85 24.88 5.04 61.19 26.64 3.44 60.26 27.86 3.82 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 150 62.78 26.02 5.17 63.28 26.76 4.72 62.92 25.97 7.58 62.99 27.20 7.68 63.29 25.28 6.30 64.79 25.13 6.18 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 151 62.54 25.18 8.57 62.45 24.22 8.33 62.97 24.84 10.92 63.19 23.64 10.71 62.28 25.71 9.90 60.75 25.77 10.25 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 152 63.36 25.46 12.03 63.30 26.46 11.99 63.60 25.49 14.44 63.41 26.68 14.38 63.83 24.72 13.19 65.27 24.28 13.08 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 153 63.56 24.81 15.56 63.55 23.81 15.43 64.59 24.72 17.69 64.59 23.47 17.70 63.54 25.46 16.86 62.16 25.35 17.49 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 154 65.45 25.47 18.38 65.26 26.45 18.34 66.14 23.85 20.12 66.87 22.89 20.34 66.57 24.91 19.12 67.41 26.02 19.82 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 155 64.93 23.96 20.67 64.35 24.67 20.28 63.33 22.21 21.45 62.69 21.71 22.35 64.54 23.09 21.76 64.24 23.97 22.97 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 156 63.03 22.01 20.17 63.67 22.39 19.50 62.08 20.55 18.52 62.95 20.94 17.73 61.85 21.29 19.82 60.65 22.26 19.71 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 157 61.36 19.43 18.31 61.52 19.07 17.39 61.18 17.84 20.25 62.03 17.05 19.86 60.45 18.76 19.26 59.58 17.91 18.35 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 158 60.85 17.97 21.53 60.24 18.74 21.73 60.71 15.68 22.28 59.77 15.56 21.50 61.34 17.07 22.55 60.99 17.60 23.94 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 159 61.24 14.65 22.92 61.94 14.91 23.59 59.30 13.03 22.73 58.74 12.23 21.95 60.82 13.27 22.65 61.62 12.31 23.60 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 160 58.62 13.74 23.62 59.19 14.37 24.16 56.35 14.68 23.07 55.20 14.89 23.43 57.17 13.60 23.78 56.79 13.58 25.27 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 161 56.92 15.33 22.05 57.84 15.01 21.83 56.10 16.15 19.85 56.69 15.22 19.30 56.25 16.40 21.34 57.03 17.70 21.54 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 162 55.31 17.03 19.22 54.80 17.60 19.86 55.38 18.66 17.36 54.83 19.54 18.04 55.20 17.17 17.75 53.86 16.66 17.17 3 0 1000.00-999 ?-999 ?-999 ? mMETA 163 56.21 18.92 16.34 56.67 18.11 15.97 55.68 20.27 14.45 55.99 19.50 13.55 56.42 20.26 15.79 57.92 20.56 15.63 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 164 54.65 21.10 14.36 54.52 21.66 15.18 54.00 22.54 12.50 54.03 23.53 13.18 53.80 21.17 13.17 52.32 21.03 13.62 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 165 54.08 22.58 11.18 53.97 21.68 10.75 53.34 23.93 9.23 52.98 22.96 8.56 54.30 23.79 10.42 55.77 23.83 9.90 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 166 52.92 25.18 9.00 53.17 25.82 9.72 52.91 26.76 7.15 53.33 27.71 7.84 52.16 25.58 7.80 50.72 25.99 8.16 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 167 53.09 26.70 5.83 52.70 25.88 5.41 52.90 28.24 3.95 52.06 27.50 3.44 53.79 27.74 5.08 55.09 27.19 4.51 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 168 53.11 29.51 3.59 53.82 29.95 4.14 53.44 31.14 1.86 54.35 31.63 2.52 52.41 30.21 2.53 51.22 31.06 3.11 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 169 53.32 31.33 0.55 52.61 30.79 0.10 53.30 33.34 -0.77 52.12 33.12 -1.02 54.17 32.27 -0.15 55.03 31.67 -1.29 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 170 53.89 34.51 -0.96 54.83 34.54 -0.63 54.10 36.30 -2.61 55.25 36.65 -2.33 53.21 35.62 -1.59 52.83 36.64 -0.53 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 171 53.55 36.47 -3.81 52.70 35.96 -3.92 55.10 36.55 -5.78 55.39 37.02 -6.88 54.16 37.32 -4.85 54.89 38.53 -4.22 2 0 1000.00-999 ?-999 ?-999 ?