HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-JUN-05 2CWQ COMPND HYPOTHETICAL PROTEIN TTHA0727; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 GENE: TTHA0727; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PHCEH AUTHOR K.ITO,R.ARAI,E.FUSATOMI,T.KAMO-UCHIKUBO,S.KAWAGUCHI,T.TERADA, AUTHOR 2 M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 3 INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 12 8 HET MSE A 46 8 HET MSE A 77 8 HET MSE B 1 8 HET MSE B 12 8 HET MSE B 46 8 HET MSE B 77 8 HET MSE C 12 8 HET MSE C 46 8 HET MSE C 77 8 mSER.A -9 32.66 25.80 -5.70 33.25 25.07 -5.35 32.34 28.28 -5.91 31.82 29.30 -6.39 31.78 26.88 -6.23 30.37 26.73 -5.65 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A -8 33.40 28.30 -5.11 33.72 27.40 -4.80 34.72 30.24 -5.91 34.87 29.63 -6.98 34.04 29.55 -4.73-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A -7 35.12 31.49 -5.71 34.94 31.85 -4.79 37.11 31.64 -7.15 37.52 31.71 -8.31 35.78 32.26 -6.76 36.02 33.72 -6.34 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A -6 37.80 31.08 -6.16 37.37 31.16 -5.26 38.97 29.00 -5.78 38.25 28.80 -4.81 39.08 30.40 -6.38 40.26 31.14 -5.74 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A -5 39.69 28.02 -6.35 40.24 28.34 -7.12 40.15 26.36 -4.47 40.86 27.17 -3.88 39.69 26.62 -5.90 40.60 25.93 -6.92 3 0 1000.00-999 ?-999 ?-999 ? mARG.A -4 39.76 25.19 -3.95 39.18 24.65 -4.56 41.64 24.92 -2.44 42.39 24.44 -3.28 40.13 24.77 -2.60 39.80 23.28 -2.38 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A -3 42.07 25.57 -1.36 41.34 25.92 -0.77 44.41 26.30 -2.18 45.64 26.15 -2.10 43.49 25.74 -1.10-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER~A -2 43.83 26.97 -3.18 42.84 27.04 -3.13 45.61 28.60 -3.76 46.68 28.77 -4.32 44.65 27.52 -4.25 43.76 28.06 -5.39 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A -1 45.25 29.31 -2.68 44.37 29.08 -2.28 47.39 29.75 -1.52 48.33 30.47 -1.19 46.16 30.35 -2.19 45.46 31.28 -1.20 3 0 1000.00-999 ?-999 ?-999 ? mMETA 1 47.38 28.43 -1.33 46.56 27.96 -1.64 49.52 27.25 -1.74 50.59 26.74 -1.37 48.52 27.76 -0.70 48.04 26.57 0.14 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 2 49.18 27.38 -3.03 48.29 27.82 -3.16 51.39 27.59 -4.15 51.58 28.66 -3.57 50.03 26.92 -4.13 49.35 27.19 -5.48 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 3 52.34 26.98 -4.85 52.05 26.13 -5.28 53.89 28.43 -6.20 55.03 28.81 -6.53 53.68 27.54 -4.96 54.70 26.41 -4.89 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 4 52.79 28.72 -6.90 51.98 28.25 -6.56 51.41 30.31 -7.91 50.51 29.78 -7.27 52.77 29.64 -8.04 52.83 28.96 -9.44 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 5 51.27 31.48 -8.53 52.09 31.77 -9.01 49.03 31.75 -9.55 47.88 32.17 -9.55 50.03 32.24 -8.50 50.35 33.70 -8.81 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 6 49.47 30.86 -10.43 50.41 30.57 -10.27 47.22 29.85 -11.27 46.29 30.20 -11.98 48.64 30.37 -11.54 49.45 29.33 -12.35 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 7 47.04 29.04 -10.24 47.85 28.82 -9.71 44.73 29.66 -9.63 43.60 29.73 -10.14 45.68 28.53 -9.98 45.70 27.51 -8.84 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 8 45.16 30.53 -8.73 46.08 30.34 -8.37 44.00 32.51 -9.55 42.83 32.85 -9.75 44.34 31.66 -8.34 45.06 32.52 -7.27 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 9 45.01 32.85 -10.34 45.90 32.50 -10.05 43.84 33.08 -12.54 42.95 33.76 -13.05 44.82 33.69 -11.53 46.16 33.96 -12.23 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 10 44.02 31.80 -12.82 44.78 31.38 -12.31 41.72 31.00 -13.37 40.83 31.16 -14.22 43.18 31.07 -13.77 43.72 29.64 -13.96 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 11 41.47 30.75 -12.09 42.29 30.63 -11.53 39.41 32.03 -11.67 38.23 32.10 -12.01 40.11 30.67 -11.57 40.13 30.21 -10.12 2 0 1000.00-999 ?-999 ?-999 ? mMETA 12 40.14 33.10 -11.40 41.09 32.92 -11.14 39.24 34.81 -12.93 38.17 35.35 -13.23 39.55 34.43 -11.48 40.47 35.47 -10.83 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 13 40.17 34.51 -13.83 40.99 34.07 -13.46 38.78 34.04 -15.75 37.96 34.53 -16.52 39.98 34.83 -15.24 41.24 34.46 -16.04 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 14 38.70 32.81 -15.30 39.45 32.57 -14.67 36.29 32.28 -15.09 35.28 32.28 -15.81 37.66 31.87 -15.66 38.07 30.51 -15.11 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 15 36.27 32.62 -13.81 37.15 32.60 -13.35 34.53 34.41 -13.37 33.33 34.67 -13.22 35.02 32.98 -13.15 35.13 32.66 -11.66 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 16 35.44 35.31 -13.73 36.36 34.95 -13.81 35.07 37.08 -15.44 34.53 38.12 -15.80 35.09 36.71 -13.97 36.05 37.64 -13.24 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 17 35.69 36.26 -16.28 36.12 35.46 -15.85 36.17 37.94 -18.04 37.19 38.42 -17.52 35.73 36.53 -17.70-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 18 35.41 38.61 -18.90 34.61 38.10 -19.23 35.67 40.96 -18.13 36.15 42.08 -18.24 35.72 39.97 -19.31 34.73 40.43 -20.39 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 19 35.10 40.52 -17.02 34.74 39.59 -17.06 36.23 41.29 -14.94 36.25 41.91 -13.86 35.01 41.38 -15.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 20 37.24 40.52 -15.34 37.09 40.04 -16.20 39.08 41.81 -14.46 39.33 42.43 -15.48 38.46 40.42 -14.53 39.47 39.46 -15.17 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 21 39.33 42.32 -13.24 39.10 41.74 -12.46 41.31 43.68 -13.76 42.03 42.70 -13.69 39.92 43.66 -13.14 39.96 43.91 -11.64 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 22 41.66 44.81 -14.35 40.95 45.52 -14.33 44.09 44.80 -13.98 45.18 44.32 -14.32 42.96 45.01 -14.98 43.01 46.42 -15.56 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 23 43.84 45.16 -12.72 42.93 45.54 -12.56 45.24 43.51 -11.40 46.34 43.26 -10.94 44.86 44.98 -11.69 44.41 45.67 -10.39 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 24 44.35 42.56 -11.65 43.48 42.87 -12.05 45.90 40.62 -12.13 46.85 40.11 -11.54 44.68 41.15 -11.34 43.46 40.23 -11.54 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 25 45.88 40.72 -13.48 45.06 41.14 -13.88 48.31 40.99 -13.84 49.42 40.43 -13.83 47.04 40.23 -14.24 46.65 40.50 -15.68 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 26 48.16 42.28 -13.55 47.23 42.62 -13.62 49.89 42.56 -11.82 51.12 42.50 -11.65 49.31 43.08 -13.15 48.90 44.55 -13.06 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 27 49.02 42.17 -10.89 48.06 42.30 -11.14 50.22 40.28 -9.89 51.29 40.03 -9.34 49.48 41.60 -9.62 48.30 41.33 -8.69 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 28 49.63 39.42 -10.72 48.74 39.73 -11.05 51.70 38.38 -11.54 52.63 37.67 -11.17 50.27 38.14 -11.08 49.47 37.47 -12.20 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 29 51.88 39.41 -12.36 51.04 39.91 -12.57 54.13 40.42 -11.90 55.28 40.01 -11.72 53.19 39.75 -12.90 53.04 40.71 -14.09 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 30 53.64 41.46 -11.24 52.67 41.65 -11.41 54.46 41.98 -8.86 55.40 42.37 -8.17 54.48 42.23 -10.35 54.21 43.71 -10.64 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 31 53.41 41.35 -8.35 52.72 41.08 -9.04 52.45 39.82 -6.77 51.36 39.84 -6.20 53.28 41.08 -6.93 52.59 42.26 -6.23 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 32 52.97 38.70 -7.27 53.87 38.78 -7.70 51.83 37.03 -5.73 50.79 36.42 -5.54 52.21 37.45 -7.16 53.10 36.43 -7.90 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 33 52.69 37.35 -4.76 53.53 37.80 -5.06 51.15 37.80 -2.92 50.31 37.25 -2.19 52.40 37.04 -3.36-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 34 51.01 39.05 -3.35 51.75 39.38 -3.93 48.58 39.25 -3.66 47.49 39.31 -3.10 49.83 39.84 -2.98 50.00 41.33 -3.34 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 35 48.74 38.65 -4.84 49.67 38.65 -5.21 47.13 36.84 -4.71 45.94 36.61 -4.53 47.58 38.05 -5.52 47.93 37.61 -6.95 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 36 48.09 36.05 -4.22 49.02 36.32 -4.44 47.12 35.32 -2.08 46.23 34.67 -1.52 47.72 34.87 -3.41 48.94 33.99 -3.14 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 37 47.59 36.45 -1.56 48.32 36.89 -2.09 45.60 37.40 -0.55 44.72 37.25 0.31 47.03 36.95 -0.29 47.88 38.10 0.26 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 38 45.37 37.96 -1.73 46.18 38.06 -2.31 43.14 37.16 -2.14 42.03 37.18 -1.62 44.04 38.39 -2.13 44.08 39.02 -3.54 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 39 43.62 36.07 -2.74 44.53 36.17 -3.14 42.60 34.25 -1.40 41.50 33.75 -1.08 42.82 34.85 -2.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~A 40 43.63 34.29 -0.55 44.46 34.71 -0.92 42.43 34.52 1.55 41.52 33.94 2.19 43.50 33.74 0.80 44.83 33.85 1.58 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 41 42.52 35.84 1.48 43.28 36.18 0.91 40.16 36.49 1.66 39.21 36.46 2.44 41.58 36.70 2.18 41.99 38.18 2.06 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 42 40.01 36.33 0.35 40.86 36.37 -0.18 38.07 34.84 0.38 36.89 34.82 0.74 38.69 36.11 -0.21 38.77 35.96 -1.74 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 43 38.88 33.80 0.50 39.83 33.96 0.23 38.11 32.53 2.49 37.22 31.82 2.97 38.37 32.53 1.00 39.30 31.36 0.61 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 44 38.87 33.34 3.22 39.56 33.85 2.71 37.29 34.05 4.89 36.53 33.60 5.74 38.68 33.46 4.66 39.74 34.39 5.27 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 45 36.97 35.08 4.11 37.68 35.35 3.45 34.50 34.90 3.78 33.41 34.95 4.35 35.67 35.75 4.26 35.69 37.11 3.50 2 0 1000.00-999 ?-999 ?-999 ? mMETA 46 34.73 34.13 2.72 35.67 34.16 2.39 34.16 31.88 1.95 34.52 31.45 0.85 33.70 33.32 2.10 33.35 33.93 0.73 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 47 34.15 31.10 3.04 33.82 31.54 3.88 33.70 28.87 2.02 32.50 29.12 1.90 34.59 29.71 2.93 34.64 29.24 4.38 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 48 34.31 27.89 1.36 35.29 27.81 1.54 32.22 26.57 0.96 31.25 26.54 0.22 33.58 27.03 0.43 34.44 25.82 0.05 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 49 32.14 26.22 2.25 33.02 26.25 2.73 30.65 26.77 4.02 30.92 26.45 5.17 30.86 25.83 2.86 30.89 24.38 3.35 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 50 30.15 27.96 3.70 29.94 28.10 2.74 28.54 29.20 5.17 27.64 28.37 5.00 29.96 28.95 4.73-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~A 51 28.34 30.39 5.72 29.15 30.97 5.74 26.08 31.26 5.17 24.87 31.14 5.33 27.05 30.78 6.24 27.24 31.85 7.33 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 52 26.60 31.77 4.06 27.60 31.76 4.04 26.07 31.59 1.67 27.21 31.21 1.44 25.75 32.29 2.98 26.00 33.79 2.80 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 53 25.08 31.46 0.80 24.19 31.83 1.09 26.01 31.77 -1.47 26.07 32.98 -1.21 25.33 30.80 -0.49 24.03 30.20 -1.08 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 54 26.52 31.26 -2.59 26.38 30.28 -2.70 26.38 33.22 -4.18 26.90 34.29 -4.53 27.23 32.11 -3.57 27.86 31.28 -4.70 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 55 25.09 32.97 -4.35 24.79 32.06 -4.08 24.22 35.17 -3.96 24.50 36.29 -4.39 24.20 33.98 -4.90 22.76 33.47 -4.99 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 56 23.91 34.91 -2.70 23.71 33.95 -2.51 25.19 36.71 -1.57 25.22 37.94 -1.53 23.87 35.97 -1.68 23.47 35.40 -0.30 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 57 26.30 35.96 -1.51 26.15 34.98 -1.54 27.85 37.54 -2.59 28.31 38.67 -2.40 27.61 36.60 -1.42 28.74 35.56 -1.39 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 58 27.54 37.08 -3.80 27.16 36.15 -3.81 26.89 39.15 -4.98 27.36 40.23 -5.34 27.75 37.88 -4.99 27.45 37.05 -6.26 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 59 25.63 39.02 -4.57 25.36 38.09 -4.29 25.18 41.20 -3.50 25.01 42.41 -3.69 24.75 40.19 -4.55 23.29 39.76 -4.34 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 60 25.73 40.72 -2.37 25.76 39.72 -2.31 27.42 42.39 -1.93 27.48 43.61 -1.85 26.21 41.63 -1.34 26.65 40.87 -0.05 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 61 28.36 41.67 -2.53 28.20 40.68 -2.52 29.13 43.27 -4.23 29.73 44.34 -4.36 29.53 42.29 -3.14 30.44 41.22 -3.73 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 62 28.11 42.90 -5.00 27.73 42.01 -4.77 27.00 45.03 -5.54 27.25 46.13 -6.06 27.63 43.75 -6.10 26.58 43.01 -6.95 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 63 26.18 44.88 -4.50 26.04 43.94 -4.18 26.63 47.00 -3.37 26.57 48.21 -3.59 25.57 46.05 -3.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~A 64 27.61 46.47 -2.65 27.55 45.48 -2.52 29.42 48.04 -3.22 29.62 49.25 -3.13 28.67 47.31 -2.12 29.67 46.49 -1.26 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 65 29.78 47.33 -4.29 29.52 46.36 -4.25 29.76 49.10 -6.00 30.34 50.17 -6.25 30.52 47.92 -5.41 30.77 46.87 -6.51 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 66 28.47 48.91 -6.23 28.13 48.00 -5.99 27.53 51.14 -5.82 27.70 52.28 -6.24 27.63 49.95 -6.78 26.22 49.40 -7.10 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 67 27.27 50.88 -4.54 27.18 49.91 -4.32 28.43 52.77 -3.34 28.35 53.97 -3.06 27.14 51.97 -3.56 26.65 51.43 -2.20 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 68 29.59 52.12 -3.47 29.49 51.16 -3.72 31.51 53.27 -4.57 32.58 53.85 -4.57 30.88 52.79 -3.27 31.94 51.86 -2.55 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 69 30.86 52.99 -5.70 30.02 52.47 -5.59 32.72 52.78 -7.39 33.58 53.42 -7.99 31.41 53.44 -6.97-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER~A 70 32.90 51.51 -7.04 32.15 51.11 -6.50 33.82 50.19 -8.82 33.24 49.13 -8.92 34.11 50.78 -7.44 34.43 49.65 -6.45 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 71 34.21 50.88 -9.89 34.68 51.74 -9.67 34.50 49.00 -11.46 33.79 48.14 -11.99 33.96 50.41 -11.24 34.58 51.38 -12.28 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 72 35.73 48.73 -11.03 36.21 49.49 -10.58 35.47 46.30 -10.55 35.29 45.22 -11.11 36.30 47.39 -11.23 37.74 47.32 -10.73 2 0 1000.00-999 ?-999 ?-999 ? mCYH~A 73 35.01 46.57 -9.33 35.25 47.47 -8.97 32.80 45.44 -9.20 32.21 44.37 -9.19 34.20 45.57 -8.61 34.09 45.94 -7.13 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 74 32.23 46.53 -9.69 32.76 47.38 -9.61 31.00 45.48 -11.52 30.18 44.54 -11.69 30.90 46.40 -10.30 30.34 47.76 -10.76 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 75 31.99 45.72 -12.37 32.61 46.46 -12.11 32.43 43.47 -13.25 31.87 42.55 -13.85 32.13 44.92 -13.59 33.23 45.47 -14.49 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 76 33.31 43.27 -12.27 33.68 44.10 -11.86 32.48 41.15 -11.31 32.24 39.99 -11.69 33.68 41.93 -11.87 34.85 42.00 -10.83 2 0 1000.00-999 ?-999 ?-999 ? mMETA 77 31.72 41.77 -10.41 31.98 42.70 -10.18 29.43 40.88 -10.80 28.65 39.93 -10.67 30.58 41.06 -9.83 30.09 41.76 -8.55 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 78 29.30 41.78 -11.77 29.97 42.52 -11.75 28.53 40.40 -13.59 27.64 39.60 -13.88 28.24 41.63 -12.76 28.17 42.86 -13.65 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 79 29.79 40.23 -14.00 30.42 40.94 -13.71 30.14 37.79 -13.97 29.79 36.71 -14.45 30.16 39.07 -14.79 31.53 39.28 -15.42 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 80 30.51 37.92 -12.70 30.79 38.85 -12.44 29.04 36.31 -11.70 28.74 35.11 -11.84 30.49 36.79 -11.79 30.98 37.26 -10.42 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 81 28.13 37.26 -11.50 28.51 38.18 -11.43 26.17 36.28 -12.68 25.39 35.31 -12.63 26.69 36.94 -11.40 25.88 38.24 -11.06 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 82 26.59 36.80 -13.83 27.20 37.59 -13.72 26.63 34.79 -15.26 25.84 33.90 -15.60 26.17 36.25 -15.13 26.78 37.09 -16.25 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 83 27.89 34.53 -14.95 28.44 35.32 -14.68 27.71 32.22 -14.04 27.60 31.03 -14.31 28.39 33.16 -15.02 29.91 33.15 -14.84 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 84 27.25 32.74 -12.90 27.43 33.72 -12.77 25.08 31.72 -12.38 24.33 30.93 -11.80 26.54 31.88 -11.95 26.59 32.47 -10.54 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 85 24.67 32.48 -13.39 25.35 33.09 -13.79 22.28 33.04 -12.90 21.12 32.60 -12.83 23.29 32.40 -13.84-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 86 22.69 34.08 -12.16 23.65 34.32 -12.28 20.70 35.42 -12.17 21.01 35.85 -13.27 21.75 34.77 -11.27 22.49 35.82 -10.43 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 87 19.47 35.52 -11.69 19.36 35.21 -10.74 18.40 37.55 -12.72 18.88 38.30 -11.88 18.38 36.05 -12.52 17.02 35.65 -11.94 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 88 17.85 37.98 -13.84 17.50 37.26 -14.44 17.00 40.10 -13.01 17.40 41.17 -12.57 17.77 39.39 -14.13 17.07 39.61 -15.48 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 89 15.90 39.51 -12.55 15.68 38.63 -12.97 15.88 40.33 -10.19 15.69 41.31 -9.48 15.10 40.16 -11.50 13.79 39.40 -11.22 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 90 16.74 39.37 -9.87 16.79 38.62 -10.53 18.61 40.55 -8.79 18.88 41.31 -7.85 17.55 39.45 -8.65 18.22 38.08 -8.36 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 91 19.22 40.64 -9.97 18.91 39.98 -10.65 19.67 43.05 -10.21 20.25 43.98 -9.64 20.26 41.64 -10.20 21.00 41.35 -11.52 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 92 18.51 43.20 -10.84 18.13 42.38 -11.27 17.41 44.89 -9.48 17.45 46.07 -9.13 17.86 44.49 -10.89 16.66 44.45 -11.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 93 16.95 43.93 -8.67 16.93 43.00 -9.05 17.73 44.72 -6.49 17.65 45.62 -5.67 16.52 44.29 -7.31 15.80 43.14 -6.61 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 94 18.86 44.05 -6.72 18.78 43.31 -7.39 20.48 45.85 -6.37 20.87 46.63 -5.51 20.09 44.40 -6.01 21.22 43.42 -6.39 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 95 20.34 46.19 -7.65 20.02 45.45 -8.24 19.71 48.56 -7.42 20.16 49.61 -6.95 20.64 47.54 -8.11 20.49 47.65 -9.64 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 96 18.41 48.24 -7.35 18.17 47.37 -7.78 17.80 49.28 -5.21 17.63 50.36 -4.64 17.46 49.12 -6.69 16.02 48.58 -6.80 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 97 18.28 48.21 -4.59 18.38 47.41 -5.19 19.85 49.07 -2.89 19.90 49.79 -1.89 18.64 48.22 -3.18 18.88 46.78 -2.65 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 98 20.84 48.99 -3.78 20.67 48.37 -4.54 21.74 51.26 -3.76 22.27 52.11 -3.04 22.08 49.77 -3.62 23.10 49.35 -4.68 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 99 20.86 51.56 -4.70 20.54 50.77 -5.23 19.65 53.42 -3.68 19.88 54.53 -3.22 20.40 52.92 -4.93 19.50 52.95 -6.18 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 100 18.77 52.59 -3.13 18.67 51.72 -3.62 18.95 53.17 -0.72 18.76 54.10 0.08 18.01 52.95 -1.91 17.02 51.84 -1.54 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 101 19.96 52.32 -0.60 20.00 51.63 -1.32 21.61 53.75 0.54 21.75 54.38 1.60 20.91 52.41 0.51 21.92 51.29 0.42 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 102 22.06 54.20 -0.63 21.89 53.60 -1.41 21.79 56.62 -0.36 22.18 57.61 0.28 22.75 55.48 -0.71 23.36 55.65 -2.11 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 103 20.53 56.50 -0.77 20.33 55.68 -1.30 19.27 57.49 1.08 19.20 58.53 1.76 19.54 57.53 -0.44 18.24 57.28 -1.22 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 104 19.12 56.28 1.61 19.17 55.53 0.94 20.01 56.75 3.86 19.74 57.38 4.86 18.91 56.07 3.04 18.99 54.58 3.42 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 105 21.25 56.56 3.45 21.34 56.02 2.61 22.30 58.64 4.31 22.66 59.19 5.35 22.36 57.12 4.19 23.68 56.69 3.56 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 106 21.84 59.31 3.26 21.59 58.75 2.47 20.74 61.17 4.41 21.01 62.07 5.20 21.73 60.77 3.31 21.28 61.35 1.96 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 107 19.60 60.49 4.48 19.49 59.78 3.78 19.25 60.50 6.91 19.04 61.25 7.88 18.63 60.80 5.53 17.32 60.01 5.32 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 108 20.01 59.41 7.00 20.12 58.88 6.16 21.65 60.10 8.72 21.90 60.24 9.91 20.63 59.06 8.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~A 109 22.22 60.83 7.77 21.90 60.60 6.85 22.57 63.22 8.24 23.26 64.19 8.51 23.20 61.87 8.06 24.21 62.00 6.91 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 110 21.25 63.29 8.08 20.82 62.40 7.92 20.04 65.02 9.52 19.48 66.09 9.62 20.51 64.54 8.15 19.30 64.45 7.20 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 111 20.27 64.26 10.58 20.79 63.41 10.42 20.17 66.12 12.31 19.31 66.91 12.72 19.76 64.71 11.88 20.13 63.70 12.98 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 112 21.46 66.48 12.20 22.08 65.78 11.84 21.14 68.94 11.89 20.96 70.03 12.42 21.87 67.83 12.63 23.38 67.85 12.34 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 113 20.76 68.68 10.64 21.01 67.77 10.31 18.59 69.66 10.30 18.03 70.72 10.59 20.05 69.66 9.85 20.11 69.32 8.33 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 114 17.99 68.47 10.35 18.55 67.69 10.11 16.37 69.01 12.13 15.34 69.63 12.38 16.59 68.39 10.75 16.10 66.94 10.74 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 115 17.34 68.85 13.02 18.14 68.35 12.69 17.00 70.90 14.42 16.38 71.40 15.35 17.20 69.40 14.36 18.42 69.03 15.21 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 116 17.52 71.64 13.44 18.00 71.13 12.73 16.20 73.67 12.69 16.06 74.89 12.62 17.37 73.09 13.48 18.66 73.80 13.01 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 117 15.37 72.82 12.09 15.58 71.85 12.21 12.99 73.60 12.20 13.00 73.23 13.40 14.23 73.33 11.33 13.86 72.36 10.22 3 0 1000.00-999 ?-999 ?-999 ? mSER~B -9 58.61 48.47 16.76 59.13 49.32 16.66 56.41 47.37 16.36 55.78 48.42 16.53 57.83 47.21 16.90 57.76 46.79 18.37 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B -8 55.91 46.32 15.72 56.52 45.53 15.66 53.42 46.38 16.13 53.59 46.14 17.33 54.57 46.35 15.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~B -7 52.24 46.70 15.61 52.27 46.88 14.63 50.75 45.47 17.18 50.28 45.52 18.32 51.02 46.77 16.42 49.82 47.09 15.53 3 0 1000.00-999 ?-999 ?-999 ? mVAL~B -6 51.01 44.32 16.55 51.35 44.43 15.61 52.01 42.11 16.94 52.72 42.29 15.96 50.82 43.03 17.21 49.51 42.31 16.75 3 0 1000.00-999 ?-999 ?-999 ? mPRO~B -5 52.24 41.13 17.82 51.59 41.08 18.58 53.32 39.34 16.42 52.26 38.87 16.02 53.37 40.19 17.67 53.29 39.35 18.95 3 0 1000.00-999 ?-999 ?-999 ? mARG~B -4 54.49 39.13 15.80 55.27 39.56 16.24 54.12 36.91 14.89 54.49 36.33 15.91 54.56 38.34 14.59 55.99 38.36 14.05 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B -3 53.29 36.35 14.02 53.04 36.92 13.24 51.74 34.85 15.31 51.27 33.74 15.58 52.81 35.00 14.24-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER~B -2 51.32 35.96 15.93 51.74 36.81 15.62 48.96 35.35 16.43 48.09 34.91 17.19 50.30 35.86 16.98 50.10 37.21 17.70 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B -1 48.80 35.37 15.11 49.58 35.73 14.59 47.46 33.38 14.63 46.40 32.80 14.35 47.56 34.90 14.52 47.46 35.31 13.05 3 0 1000.00-999 ?-999 ?-999 ? mMETB 1 48.56 32.73 15.01 49.34 33.32 15.19 48.40 30.86 16.60 48.39 29.68 16.92 48.59 31.27 15.16 49.92 30.69 14.66 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 2 48.25 31.86 17.47 48.29 32.77 17.06 46.77 30.81 19.12 45.85 30.87 18.32 48.04 31.63 18.90 47.88 32.97 19.62 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 3 46.71 30.08 20.24 47.52 30.14 20.82 44.30 30.15 20.77 43.19 29.76 20.44 45.54 29.27 20.56 45.79 28.43 21.81 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 4 44.49 31.32 21.39 45.42 31.50 21.70 43.78 33.62 21.06 44.92 33.84 20.70 43.37 32.24 21.57 42.92 32.38 23.06 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 5 42.83 34.54 21.05 41.95 34.21 21.38 43.67 36.79 21.67 43.91 37.97 21.44 43.04 35.91 20.59 41.69 36.51 20.27 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 6 43.90 36.24 22.85 43.71 35.26 22.90 45.63 37.91 23.75 45.65 39.07 24.18 44.41 37.03 23.96 44.61 36.13 25.18 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 7 46.65 37.37 23.11 46.50 36.43 22.82 47.65 39.28 21.90 48.14 40.40 22.12 47.88 38.11 22.86 48.90 37.13 22.29 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 8 46.90 39.04 20.82 46.59 38.09 20.72 45.79 41.22 20.59 46.07 42.42 20.44 46.58 40.11 19.87 45.74 39.59 18.67 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 9 44.81 40.83 21.39 44.69 39.84 21.46 44.82 42.68 23.07 44.66 43.90 23.13 44.00 41.82 22.10 42.86 41.12 22.88 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 10 45.71 42.03 23.81 45.75 41.05 23.63 47.52 43.66 24.14 47.73 44.76 24.63 46.55 42.70 24.80 47.33 41.67 25.63 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 11 48.10 43.24 23.02 47.84 42.31 22.72 48.30 45.29 21.74 48.81 46.40 21.80 49.03 44.08 22.30 49.73 43.30 21.17 2 0 1000.00-999 ?-999 ?-999 ? mMETB 12 47.10 45.10 21.19 46.76 44.16 21.20 45.97 47.24 21.71 46.09 48.46 21.52 46.39 46.25 20.64 45.18 45.78 19.82 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 13 45.48 46.73 22.84 45.42 45.73 22.85 46.24 48.42 24.48 46.10 49.61 24.79 45.06 47.58 23.96 44.51 46.71 25.09 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 14 47.40 47.78 24.57 47.36 46.83 24.28 49.15 49.46 24.06 49.54 50.56 24.44 48.62 48.43 25.05 49.68 47.35 25.32 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 15 49.17 49.10 22.78 48.82 48.19 22.58 48.72 51.14 21.39 49.17 52.20 20.96 49.69 50.03 21.79 50.16 49.28 20.54 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 16 47.42 50.92 21.54 47.18 50.03 21.93 45.83 52.71 22.30 45.26 53.78 22.09 46.44 51.93 21.14 45.31 51.31 20.31 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 17 45.94 52.15 23.50 46.42 51.28 23.53 43.93 53.19 24.53 43.10 52.40 24.07 45.39 52.81 24.68-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~B 18 43.62 54.42 24.93 44.38 54.95 25.29 41.81 55.00 23.38 40.63 55.21 23.11 42.26 54.92 24.83 42.16 56.29 25.50 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 19 42.75 54.85 22.45 43.67 54.71 22.81 41.94 53.55 20.48 41.55 53.46 19.30 42.43 54.89 21.03-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~B 20 41.95 52.51 21.31 42.29 52.71 22.23 40.00 51.28 20.40 39.14 51.73 21.15 41.47 51.19 20.86 41.60 50.17 22.00 3 0 1000.00-999 ?-999 ?-999 ? mPRO~B 21 39.69 50.88 19.15 40.46 50.56 18.58 37.39 50.06 19.56 37.80 48.97 19.96 38.29 50.95 18.70 38.35 50.46 17.26 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 22 36.17 50.51 19.85 35.95 51.41 19.48 34.93 48.37 20.00 34.51 47.40 20.66 35.25 49.71 20.66 33.96 50.49 20.91 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 23 35.14 48.30 18.68 35.48 49.14 18.26 35.85 45.92 18.37 35.49 44.75 18.33 34.88 47.04 17.97 34.96 47.26 16.46 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 24 37.08 46.28 18.74 37.25 47.26 18.76 37.69 44.39 20.28 37.76 43.16 20.22 38.06 45.25 19.08 39.47 45.86 19.26 3 0 1000.00-999 ?-999 ?-999 ? mPRO~B 25 37.30 45.02 21.40 37.28 46.02 21.41 35.74 43.27 22.14 35.62 42.13 22.58 36.94 44.14 22.52 36.61 45.13 23.63 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 26 34.83 43.81 21.33 35.02 44.76 21.06 34.03 41.86 20.00 33.40 40.80 20.08 33.66 43.05 20.89 32.68 43.97 20.16 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 27 35.03 42.04 19.14 35.44 42.96 19.14 36.07 39.87 19.18 35.81 38.68 18.99 35.48 40.94 18.30 36.55 41.40 17.31 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 28 36.89 40.30 20.15 37.01 41.29 20.18 36.48 38.50 21.75 36.64 37.29 21.91 37.53 39.37 21.06 38.37 40.15 22.10 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 29 35.38 39.12 22.15 35.37 40.10 21.94 33.41 37.57 21.93 33.03 36.44 22.27 34.31 38.42 22.85 33.40 39.45 23.56 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 30 33.08 38.10 20.76 33.51 38.98 20.56 32.63 36.83 18.58 31.97 35.98 18.00 32.14 37.43 19.88 30.97 38.38 19.61 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 31 33.77 37.30 18.09 34.21 38.02 18.63 35.83 36.78 16.91 36.49 37.50 16.16 34.31 36.76 16.84 33.80 37.58 15.65 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 32 36.41 36.00 17.83 35.77 35.47 18.39 38.61 35.60 16.73 39.72 36.10 16.52 37.86 35.94 17.99 38.06 34.89 19.10 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 33 38.03 34.74 15.90 37.14 34.39 16.21 38.90 35.58 13.74 39.93 35.66 13.07 38.66 34.37 14.64-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~B 34 37.95 36.52 13.73 37.16 36.31 14.31 39.16 38.65 13.57 39.91 39.31 12.86 38.09 37.73 12.94 36.72 38.45 12.82 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 35 39.25 38.69 14.90 38.57 38.15 15.40 41.68 38.92 15.16 42.63 39.66 14.89 40.29 39.51 15.52 40.09 39.56 17.04 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 36 41.79 37.60 15.13 40.97 37.10 15.39 43.39 37.24 13.29 44.56 37.48 12.95 43.05 36.96 14.75 42.97 35.46 14.99 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 37 42.39 37.20 12.42 41.50 36.97 12.81 42.99 38.96 10.83 43.80 39.31 9.96 42.62 37.48 11.00 41.36 37.15 10.19 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 38 42.39 39.81 11.66 41.73 39.40 12.28 44.20 41.39 11.91 44.91 42.15 11.26 42.71 41.25 11.62 41.91 42.02 12.67 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 39 44.67 40.65 12.91 44.01 40.08 13.38 46.96 40.12 12.13 48.01 40.66 11.79 46.09 40.72 13.24-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~B 40 46.51 39.01 11.56 45.64 38.67 11.92 47.39 39.30 9.30 48.49 39.45 8.74 47.26 38.37 10.49 46.59 37.07 10.02 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 41 46.27 39.93 8.92 45.47 39.73 9.48 47.09 42.06 8.04 47.79 42.57 7.13 46.25 40.82 7.77 44.79 41.18 7.37 2 0 1000.00-999 ?-999 ?-999 ? mTRP~B 42 47.06 42.54 9.28 46.45 42.05 9.91 49.36 43.39 9.45 50.09 44.16 8.82 47.87 43.71 9.64 47.62 44.12 11.10 3 0 1000.00-999 ?-999 ?-999 ? mTHR~B 43 49.81 42.26 9.98 49.12 41.70 10.45 51.64 41.51 8.46 52.81 41.64 8.11 51.22 41.90 9.87 51.63 40.83 10.88 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 44 50.69 41.08 7.64 49.78 40.99 8.03 51.37 42.09 5.56 52.37 42.20 4.88 51.02 40.77 6.25 49.84 40.13 5.52 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 45 50.52 43.10 5.74 49.73 42.90 6.32 52.01 45.09 5.64 52.79 45.68 4.87 50.76 44.40 5.11 49.56 45.32 5.33 2 0 1000.00-999 ?-999 ?-999 ? mMETB 46 52.19 44.99 6.96 51.51 44.43 7.42 54.11 44.66 8.50 53.94 44.54 9.73 53.28 45.64 7.67 52.67 46.73 8.54 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 47 55.02 43.94 7.85 55.07 44.11 6.86 56.99 43.65 9.34 57.37 44.78 9.05 55.84 42.98 8.58 56.33 42.04 7.49 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 48 57.53 42.95 10.32 57.11 42.05 10.48 59.74 43.69 10.08 59.91 42.85 9.19 58.64 43.49 11.09 59.09 42.49 12.16 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 49 60.47 44.78 10.17 60.24 45.41 10.91 60.98 44.84 7.78 61.37 43.94 7.04 61.54 44.98 9.20 62.64 43.92 9.41 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 50 60.06 45.72 7.41 59.80 46.39 8.12 60.14 46.78 5.29 61.28 47.16 5.57 59.49 45.68 6.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~B 51 59.44 47.33 4.30 58.52 46.96 4.17 59.96 49.76 4.18 60.83 50.60 3.98 60.03 48.39 3.50 59.36 48.44 2.14 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 52 58.93 49.97 4.99 58.32 49.19 5.11 58.76 51.14 7.17 58.28 50.14 7.71 58.74 51.26 5.65 57.39 51.85 5.23 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 53 59.29 52.15 7.86 59.64 52.89 7.29 57.95 52.42 9.90 57.05 52.84 9.18 59.33 52.13 9.32 60.36 53.15 9.88 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 54 57.78 52.16 11.20 58.59 51.82 11.67 56.01 53.80 11.79 54.81 54.04 11.74 56.49 52.36 11.84 56.51 51.85 13.29 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 55 56.92 54.76 11.81 57.88 54.47 11.89 55.78 56.37 10.39 54.67 56.85 10.37 56.48 56.14 11.73 57.64 57.12 11.84 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 56 56.44 56.02 9.29 57.35 55.64 9.45 54.53 55.41 7.85 53.54 55.92 7.33 55.85 56.20 7.98 56.83 55.77 6.87 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 57 54.52 54.17 8.31 55.40 53.87 8.70 52.14 54.03 8.99 51.01 54.05 8.49 53.30 53.36 8.26 53.55 51.99 8.89 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 58 52.43 54.56 10.18 53.39 54.48 10.45 50.89 56.49 10.36 49.70 56.76 10.43 51.41 55.22 10.99 51.94 55.52 12.43 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 59 51.77 57.29 9.76 52.72 56.98 9.77 50.50 58.22 7.86 49.54 58.93 7.55 51.32 58.53 9.13 52.51 59.44 8.80 3 0 1000.00-999 ?-999 ?-999 ? mILE~B 60 50.86 57.16 7.14 51.67 56.68 7.48 48.67 56.37 6.42 47.67 56.80 5.84 50.08 56.78 5.96 50.72 55.62 5.14 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 61 48.59 55.55 7.47 49.47 55.27 7.86 46.47 56.30 8.52 45.24 56.35 8.37 47.28 55.13 7.97 47.46 54.07 9.06 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 62 47.16 57.24 9.16 48.14 57.08 9.21 45.93 59.30 8.62 44.81 59.81 8.69 46.48 58.41 9.73 47.46 59.20 10.63 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 63 46.75 59.49 7.59 47.64 59.05 7.66 45.10 59.68 5.79 44.14 60.39 5.46 46.33 60.29 6.45-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~B 64 45.12 58.36 5.59 45.96 57.90 5.89 42.74 57.87 5.86 41.65 58.18 5.36 43.98 57.69 4.98 44.24 56.17 4.78 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 65 42.91 57.69 7.17 43.84 57.46 7.44 41.12 59.17 8.03 39.89 59.26 8.00 41.79 57.80 8.11 42.28 57.53 9.54 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 66 41.92 60.22 8.01 42.89 59.99 8.06 40.71 61.83 6.59 39.62 62.39 6.54 41.41 61.59 7.93 42.57 62.58 8.10 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 67 41.34 61.39 5.51 42.21 60.93 5.69 39.49 60.81 3.96 38.62 61.28 3.24 40.79 61.58 4.18 41.81 61.18 3.11 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 68 39.33 59.67 4.62 40.09 59.42 5.22 37.09 59.11 5.55 36.01 58.53 5.53 38.11 58.87 4.44 38.40 57.33 4.40 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 69 37.45 59.93 6.53 38.37 60.33 6.44 36.25 59.00 8.50 35.15 58.91 9.06 36.54 60.19 7.61-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER~B 70 37.21 58.10 8.66 38.05 58.27 8.14 37.36 57.40 10.95 38.53 57.47 11.31 37.00 56.94 9.54 37.87 55.75 9.13 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 71 36.33 57.71 11.74 35.43 57.57 11.33 37.37 57.26 13.95 38.27 57.70 14.67 36.56 58.20 13.09 35.24 58.50 13.80 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 72 37.03 55.97 13.91 36.29 55.75 13.27 39.20 54.89 14.39 40.05 54.74 15.26 37.72 54.99 14.74 37.04 53.61 14.64 2 0 1000.00-999 ?-999 ?-999 ? mCYH~B 73 39.51 55.00 13.10 38.73 55.14 12.49 41.67 56.21 12.99 42.85 56.15 13.32 40.90 54.93 12.66 40.96 54.62 11.16 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 74 41.03 57.37 12.88 40.08 57.31 12.56 42.12 58.56 14.68 43.27 58.83 15.02 41.71 58.63 13.21 40.79 59.88 12.99 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 75 41.19 58.19 15.55 40.30 57.96 15.15 42.56 57.09 17.28 43.51 57.34 18.03 41.48 58.13 16.99 40.21 57.81 17.78 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 76 42.43 55.92 16.68 41.63 55.83 16.08 44.82 55.29 16.45 45.79 55.09 17.18 43.42 54.89 16.92 42.98 53.57 16.23 2 0 1000.00-999 ?-999 ?-999 ? mMETB 77 44.94 55.86 15.25 44.08 56.01 14.75 46.88 57.41 15.45 48.10 57.54 15.54 46.26 56.21 14.75 46.23 56.41 13.22 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 78 46.02 58.30 15.96 45.06 58.09 15.79 47.13 58.95 17.99 48.20 59.40 18.39 46.50 59.46 16.69 45.34 60.39 17.02 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 79 46.47 58.00 18.65 45.61 57.71 18.24 48.25 56.62 19.65 49.20 56.64 20.44 47.03 57.46 19.89 45.99 56.67 20.67 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 80 48.22 55.87 18.55 47.37 55.93 18.04 50.56 56.00 17.95 51.64 55.79 18.50 49.37 55.05 18.16 49.02 54.30 16.87 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 81 50.34 57.06 17.17 49.41 57.10 16.79 51.93 58.66 18.17 53.15 58.84 18.32 51.38 58.05 16.89 50.81 59.17 16.00 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 82 51.04 59.01 19.10 50.09 58.82 18.85 52.36 58.62 21.12 53.45 58.97 21.57 51.48 59.60 20.36 50.26 60.00 21.21 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 83 51.90 57.38 21.23 51.01 57.22 20.80 54.00 56.02 21.27 54.95 55.64 21.96 52.67 56.35 21.94 51.81 55.10 22.13 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 84 54.07 56.19 19.95 53.22 56.49 19.51 56.21 57.17 19.38 57.38 57.14 19.01 55.32 55.95 19.24 55.09 55.68 17.75 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 85 55.65 58.27 19.90 54.68 58.18 20.13 56.66 60.31 18.83 57.67 61.02 18.73 56.44 59.47 20.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~B 86 55.73 60.24 17.88 54.98 59.61 18.08 55.67 62.51 16.98 54.86 62.87 17.83 55.84 61.02 16.65 54.76 60.58 15.66 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 87 56.43 63.36 16.30 57.02 62.94 15.61 55.10 65.53 16.19 54.41 65.15 15.24 56.39 64.80 16.57 57.56 65.50 15.88 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 88 54.79 66.58 16.93 55.43 66.77 17.67 53.66 67.88 15.23 52.66 67.90 14.51 53.59 67.37 16.66 53.51 68.55 17.64 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 89 54.85 68.29 14.81 55.58 68.20 15.48 54.73 67.80 12.36 54.14 68.14 11.34 55.03 68.83 13.46 56.46 69.37 13.29 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 90 55.15 66.57 12.58 55.62 66.43 13.45 53.44 65.18 11.50 52.91 64.96 10.40 54.93 65.50 11.60 55.73 64.24 11.99 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 91 52.77 65.16 12.65 53.32 65.37 13.46 50.52 65.98 12.04 49.55 65.72 11.34 51.35 64.86 12.68 50.90 64.60 14.11 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 92 50.91 67.22 12.27 51.70 67.31 12.88 50.45 68.38 10.18 49.57 68.77 9.41 50.20 68.34 11.67 50.61 69.67 12.31 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 93 51.64 68.00 9.75 52.30 67.73 10.46 51.07 66.89 7.67 50.63 67.04 6.55 51.91 68.00 8.32 53.40 67.78 8.03 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 94 50.85 65.80 8.39 51.27 65.80 9.29 48.59 65.19 7.70 47.92 64.91 6.69 50.03 64.69 7.85 50.08 63.47 8.81 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 95 48.12 65.94 8.69 48.74 66.08 9.46 46.67 67.42 7.39 45.71 67.35 6.60 46.76 66.48 8.59 46.39 67.22 9.88 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 96 47.67 68.30 7.22 48.39 68.28 7.91 47.66 68.47 4.73 47.00 68.88 3.76 47.65 69.22 6.06 48.85 70.19 6.10 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 97 48.42 67.38 4.68 48.91 67.17 5.53 47.19 65.86 3.13 46.77 65.82 1.96 48.51 66.57 3.46 49.63 65.51 3.58 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 98 46.53 65.31 4.15 46.98 65.40 5.03 44.23 65.66 3.43 43.42 65.37 2.56 45.25 64.64 3.95 44.77 64.03 5.28 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 99 44.26 66.87 3.99 44.95 66.98 4.71 43.62 68.28 2.09 42.69 68.39 1.27 43.35 67.91 3.56 43.50 69.13 4.48 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 100 44.90 68.43 1.75 45.55 68.31 2.50 44.90 67.64 -0.57 44.48 67.89 -1.71 45.29 68.76 0.38 46.81 68.98 0.28 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 101 45.05 66.40 -0.12 45.40 66.33 0.81 43.24 65.29 -1.38 42.92 65.10 -2.57 44.72 65.25 -0.96 45.01 63.97 -0.22 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 102 42.35 65.55 -0.42 42.74 65.70 0.48 40.60 66.71 -1.71 39.76 66.53 -2.60 40.92 65.58 -0.73 40.12 65.72 0.57 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 103 41.28 67.85 -1.57 41.92 67.85 -0.79 41.63 68.59 -3.85 40.99 68.87 -4.88 41.09 68.98 -2.48 41.81 70.24 -1.96 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 104 42.81 67.96 -3.88 43.22 67.84 -2.98 42.48 66.60 -5.95 42.40 66.70 -7.19 43.42 67.49 -5.13 44.68 66.64 -4.84 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 105 41.81 65.68 -5.26 41.99 65.70 -4.28 39.76 65.43 -6.63 39.35 64.99 -7.71 40.91 64.74 -5.91 40.36 63.72 -4.89 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 106 39.23 66.50 -6.03 39.64 66.76 -5.16 38.61 67.75 -8.05 37.92 67.60 -9.07 38.13 67.21 -6.69 37.59 68.38 -5.80 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 107 39.80 68.36 -8.09 40.28 68.42 -7.21 40.54 67.69 -10.31 40.25 67.79 -11.50 40.31 68.87 -9.36 41.62 69.64 -9.15 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 108 41.06 66.57 -9.78 41.28 66.62 -8.81 39.98 64.89 -11.29 40.03 64.29 -12.36 41.26 65.39 -10.62-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~B 109 38.83 65.14 -10.66 38.93 65.65 -9.80 36.86 65.78 -12.04 35.76 65.57 -12.56 37.53 64.70 -11.19 36.57 64.35 -10.05 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 110 37.53 66.92 -12.20 38.44 66.93 -11.80 37.08 68.14 -14.43 36.50 69.03 -15.04 36.94 68.06 -12.91 37.45 69.35 -12.28 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 111 37.82 67.22 -15.04 38.21 66.53 -14.44 36.71 67.46 -17.29 36.62 68.34 -18.14 38.00 67.28 -16.49 38.75 66.03 -16.97 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 112 35.69 66.63 -17.04 35.86 65.94 -16.33 33.78 68.14 -17.68 33.16 68.62 -18.64 34.43 66.76 -17.78 33.56 65.66 -17.18 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 113 33.91 68.79 -16.53 34.40 68.29 -15.82 34.17 71.16 -17.10 33.63 71.96 -17.86 33.34 70.12 -16.36 33.27 70.51 -14.89 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 114 35.47 71.17 -16.85 35.77 70.46 -16.21 36.30 72.01 -19.00 36.47 72.98 -19.72 36.37 72.14 -17.48 37.81 71.92 -16.99 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 115 36.03 70.79 -19.46 35.91 70.11 -18.74 34.89 71.37 -21.58 35.11 71.82 -22.70 35.93 70.50 -20.88 35.56 69.03 -21.08 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 116 33.75 71.61 -20.92 33.70 71.19 -20.01 32.76 73.90 -21.23 31.96 74.68 -21.76 32.68 72.41 -21.52 31.26 71.93 -21.09 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 117 33.71 74.31 -20.40 34.28 73.59 -20.02 34.51 76.43 -21.26 34.89 75.72 -22.22 33.86 75.73 -20.08 34.74 75.93 -18.85 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 6 52.51 78.58 -18.10 52.14 78.21 -18.95 54.09 78.16 -16.22 54.29 77.05 -16.73 53.06 79.12 -16.82 51.91 79.38 -15.84 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 7 54.74 78.58 -15.14 54.47 79.48 -14.82 55.17 76.79 -13.47 55.85 75.85 -13.04 55.76 77.75 -14.49 56.82 78.63 -13.81 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 8 53.93 77.03 -13.06 53.50 77.84 -13.44 52.90 74.91 -12.93 52.97 73.77 -12.45 53.30 76.12 -12.11 52.05 76.75 -11.45 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 9 52.52 75.16 -14.18 52.54 76.13 -14.42 53.32 73.32 -15.59 53.29 72.08 -15.65 52.11 74.10 -15.09 51.37 74.69 -16.29 3 0 1000.00-999 ?-999 ?-999 ? mGLN~C 10 54.39 74.03 -15.94 54.28 75.02 -15.84 56.21 72.44 -15.38 56.57 71.30 -15.70 55.61 73.39 -16.43 56.67 74.43 -16.79 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 11 56.31 72.93 -14.15 55.98 73.87 -14.06 56.07 70.91 -12.75 56.65 69.87 -12.41 56.87 72.18 -13.03 56.91 73.05 -11.80 2 0 1000.00-999 ?-999 ?-999 ? mMETC 12 54.75 71.00 -12.87 54.41 71.90 -13.13 54.09 68.82 -13.76 54.22 67.62 -13.52 53.91 69.83 -12.63 52.45 70.25 -12.50 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 13 54.10 69.29 -15.00 53.97 70.28 -15.08 55.69 67.77 -15.94 55.94 66.62 -16.31 54.30 68.39 -16.13 54.24 69.16 -17.43 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 14 56.58 68.56 -15.33 56.21 69.46 -15.08 58.02 66.89 -14.18 58.53 65.86 -14.61 57.94 68.14 -15.04 58.70 69.27 -14.31 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 15 57.50 66.99 -12.95 57.08 67.88 -12.76 56.42 64.87 -12.00 56.37 64.04 -11.10 57.54 65.91 -11.99 57.66 66.49 -10.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 16 55.53 64.92 -12.99 55.68 65.65 -13.66 54.43 63.20 -14.40 53.95 62.07 -14.48 54.44 63.94 -13.07 53.07 64.61 -12.86 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 17 54.97 63.83 -15.43 55.33 64.74 -15.24 53.67 62.71 -17.26 52.69 63.45 -17.30 55.00 63.20 -16.74-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~C 18 53.64 61.44 -17.68 54.52 60.98 -17.57 51.33 60.69 -17.19 50.19 60.38 -17.52 52.45 60.79 -18.23 52.83 59.38 -18.74 2 0 1000.00-999 ?-999 ?-999 ? mGLY~C 19 51.67 60.94 -15.93 52.63 61.16 -15.78 50.02 62.21 -14.58 49.25 62.33 -13.63 50.67 60.87 -14.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~C 20 50.32 63.24 -15.38 50.96 63.02 -16.11 48.23 64.44 -15.40 47.82 64.03 -16.47 49.73 64.55 -15.14 50.33 65.59 -16.10 3 0 1000.00-999 ?-999 ?-999 ? mPRO~C 21 47.39 64.80 -14.42 47.83 65.11 -13.58 45.47 65.54 -15.84 45.96 66.63 -16.10 45.94 64.71 -14.62 45.38 65.26 -13.31 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 22 44.51 64.99 -16.58 44.24 64.09 -16.25 43.35 67.00 -17.38 43.27 67.92 -18.21 43.94 65.64 -17.76 42.85 64.71 -18.33 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 23 42.96 67.15 -16.12 43.07 66.34 -15.54 43.46 69.53 -15.50 43.11 70.71 -15.54 42.41 68.42 -15.68 41.65 68.22 -14.38 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 24 44.73 69.20 -15.32 44.94 68.22 -15.34 45.88 71.17 -16.33 45.83 72.39 -16.21 45.71 70.26 -15.11 47.07 69.71 -14.64 3 0 1000.00-999 ?-999 ?-999 ? mPRO~C 25 46.08 70.60 -17.52 46.12 69.60 -17.56 44.95 72.33 -18.85 45.01 73.53 -19.15 46.23 71.51 -18.66 46.51 70.57 -19.82 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 26 43.80 71.69 -18.66 43.89 70.72 -18.43 42.42 73.55 -17.84 41.90 74.61 -18.20 42.52 72.38 -18.80 41.36 71.42 -18.57 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 27 42.91 73.37 -16.61 43.28 72.46 -16.43 43.78 75.58 -16.12 43.40 76.74 -16.03 42.88 74.46 -15.64 43.39 74.01 -14.27 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 28 44.97 75.23 -16.61 45.14 74.24 -16.63 45.26 77.09 -18.17 45.42 78.31 -18.21 45.91 76.24 -17.09 47.17 75.57 -17.63 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 29 44.50 76.43 -19.03 44.44 75.45 -18.84 42.59 77.89 -19.75 42.44 79.03 -20.17 43.83 77.07 -20.14 43.40 76.00 -21.15 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 30 41.73 77.32 -18.91 42.00 76.42 -18.57 40.36 78.59 -17.15 39.51 79.44 -16.91 40.49 78.00 -18.54 39.33 77.06 -18.83 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 31 41.18 78.13 -16.21 41.82 77.42 -16.51 42.48 78.76 -14.25 42.78 78.13 -13.23 41.09 78.66 -14.86 40.18 77.77 -14.00 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 32 43.36 79.58 -14.87 43.01 80.05 -15.68 44.83 80.17 -12.92 45.78 79.79 -12.23 44.74 79.76 -14.38 45.33 80.80 -15.33 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 33 43.87 80.94 -12.44 43.15 81.19 -13.09 43.77 80.17 -10.10 44.37 80.13 -9.01 43.91 81.36 -11.05-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~C 34 42.97 79.19 -10.52 42.54 79.35 -11.41 44.01 77.13 -9.74 44.35 76.50 -8.74 42.75 78.00 -9.72 41.54 77.22 -10.24 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 35 44.70 77.09 -10.88 44.32 77.62 -11.63 46.97 76.89 -10.01 47.71 76.15 -9.37 45.92 76.31 -10.95 46.45 76.25 -12.39 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 36 47.03 78.22 -9.89 46.38 78.72 -10.47 47.64 78.59 -7.53 48.52 78.35 -6.70 47.99 78.86 -8.98 48.03 80.38 -9.19 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 37 46.35 78.64 -7.22 45.74 78.85 -7.98 46.24 76.95 -5.49 46.63 76.67 -4.37 45.89 78.39 -5.86 44.37 78.61 -5.78 2 0 1000.00-999 ?-999 ?-999 ? mHIS~C 38 46.05 76.05 -6.45 45.66 76.42 -7.30 47.86 74.56 -5.87 48.22 73.92 -4.89 46.38 74.64 -6.25 46.16 73.86 -7.55 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 39 48.71 75.21 -6.65 48.30 75.69 -7.43 50.45 75.83 -4.99 51.31 75.35 -4.25 50.14 75.20 -6.35-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~C 40 49.74 76.91 -4.66 49.06 77.20 -5.33 49.59 76.73 -2.18 50.35 76.65 -1.21 49.98 77.57 -3.39 49.23 78.90 -3.31 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 41 48.41 76.12 -2.23 47.88 76.27 -3.06 48.88 74.07 -0.97 49.18 73.65 0.15 47.97 75.29 -1.11 46.50 74.85 -1.30 2 0 1000.00-999 ?-999 ?-999 ? mTRP~C 42 49.31 73.49 -2.09 48.97 73.90 -2.93 51.47 72.72 -1.24 51.86 72.02 -0.31 50.20 72.34 -2.03 50.58 71.89 -3.45 3 0 1000.00-999 ?-999 ?-999 ? mTHR~C 43 52.10 73.83 -1.62 51.67 74.31 -2.38 53.07 74.61 0.53 53.94 74.40 1.38 53.31 74.27 -0.93 53.95 75.46 -1.67 2 0 1000.00-999 ?-999 ?-999 ? mTYR~C 44 51.87 75.10 0.86 51.24 75.24 0.09 51.49 74.10 3.05 51.93 74.02 4.20 51.56 75.40 2.25 50.22 76.11 2.37 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 45 50.92 73.06 2.45 50.60 73.22 1.52 52.13 71.06 3.26 52.40 70.39 4.27 50.80 71.80 3.17 49.75 70.91 2.47 2 0 1000.00-999 ?-999 ?-999 ? mMETC 46 52.94 71.18 2.22 52.58 71.80 1.51 55.35 71.46 1.74 55.84 71.45 0.61 54.23 70.49 2.12 54.13 69.39 1.06 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 47 55.78 72.28 2.69 55.32 72.17 3.57 58.24 72.65 2.27 58.49 71.51 2.68 56.85 73.26 2.44 56.75 74.17 3.66 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 48 59.13 73.39 1.61 58.80 74.26 1.25 61.05 72.85 2.89 60.71 73.68 3.73 60.49 72.90 1.47 61.31 73.85 0.59 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 49 61.87 71.84 3.16 62.05 71.24 2.39 61.32 71.69 5.56 61.34 72.51 6.48 62.43 71.66 4.50 63.47 72.74 4.79 2 0 1000.00-999 ?-999 ?-999 ? mGLY~C 50 60.34 70.79 5.41 60.43 70.19 4.62 59.44 69.59 7.36 60.57 69.20 7.68 59.26 70.73 6.37-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~C 51 58.32 69.04 7.84 57.48 69.44 7.49 58.65 66.59 8.20 59.26 65.74 8.86 58.37 67.95 8.81 57.07 67.90 9.61 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 52 58.21 66.36 6.96 57.75 67.14 6.53 59.13 65.20 4.99 59.01 66.21 4.31 58.40 65.06 6.31 57.03 64.38 6.07 3 0 1000.00-999 ?-999 ?-999 ? mASP~C 53 59.91 64.18 4.63 59.95 63.43 5.29 59.67 63.92 2.21 58.55 63.42 2.42 60.63 64.21 3.36 61.79 63.20 3.38 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 54 60.10 64.23 0.99 61.02 64.61 0.95 58.83 62.57 -0.39 57.78 62.33 -0.98 59.27 64.01 -0.18 59.95 64.55 -1.42 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 55 59.63 61.61 0.08 60.47 61.94 0.51 58.02 59.90 0.78 57.05 59.33 0.29 59.26 60.20 -0.05 60.39 59.28 0.44 2 0 1000.00-999 ?-999 ?-999 ? mTHR~C 56 58.07 60.26 2.06 58.93 60.69 2.33 55.73 60.79 2.48 54.62 60.27 2.51 56.96 60.03 2.96 57.30 60.49 4.39 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 57 55.93 62.03 2.02 56.88 62.35 2.03 54.13 62.09 0.38 52.91 61.96 0.35 54.82 62.81 1.53 55.30 64.19 1.07 2 0 1000.00-999 ?-999 ?-999 ? mTHR~C 58 54.93 61.61 -0.57 55.90 61.77 -0.41 53.68 59.63 -1.36 52.61 59.35 -1.89 54.41 60.92 -1.73 55.53 60.61 -2.73 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 59 54.24 58.87 -0.43 55.10 59.21 -0.04 52.28 57.91 0.69 51.31 57.14 0.54 53.60 57.63 -0.03 54.54 56.79 0.84 3 0 1000.00-999 ?-999 ?-999 ? mILE~C 60 52.21 59.00 1.46 53.04 59.54 1.52 49.89 59.70 1.10 48.76 59.24 1.14 50.95 59.31 2.14 51.10 60.44 3.18 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 61 50.26 60.54 0.14 51.21 60.86 0.20 48.91 59.71 -1.73 47.76 59.60 -2.15 49.33 60.93 -0.91 49.97 61.98 -1.83 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 62 49.86 58.81 -1.99 50.76 59.01 -1.62 48.56 56.73 -2.00 47.58 56.26 -2.56 49.54 57.61 -2.77 50.82 56.82 -3.10 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 63 48.83 56.53 -0.72 49.67 56.97 -0.40 46.56 56.28 0.12 45.57 55.54 -0.06 47.97 55.71 0.12-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~C 64 46.45 57.59 0.29 47.31 58.09 0.40 44.40 58.02 -1.02 43.22 57.65 -1.04 45.12 58.20 0.31 45.18 59.73 0.64 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 65 45.10 58.28 -2.13 46.05 58.55 -1.97 43.93 56.77 -3.70 42.85 56.62 -4.26 44.49 58.17 -3.46 45.53 58.53 -4.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 66 44.66 55.76 -3.26 45.52 56.01 -2.82 43.00 54.10 -2.56 42.05 53.45 -2.99 44.21 54.38 -3.43 45.33 53.39 -3.08 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 67 43.04 54.59 -1.33 43.87 55.12 -1.11 40.67 55.08 -0.78 39.59 54.58 -0.49 41.95 54.37 -0.38 42.37 54.81 1.03 2 0 1000.00-999 ?-999 ?-999 ? mTHR~C 68 40.80 56.24 -1.43 41.74 56.51 -1.60 39.19 56.76 -3.29 38.20 57.32 -3.74 39.63 57.01 -1.85 39.83 58.54 -1.67 2 0 1000.00-999 ?-999 ?-999 ? mGLY~C 69 39.93 55.94 -4.01 40.73 55.55 -3.55 39.72 56.79 -6.35 39.01 56.85 -7.35 39.55 55.64 -5.37-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER~C 70 40.66 57.69 -6.09 41.16 57.53 -5.24 41.87 58.35 -8.08 43.08 58.34 -7.90 40.91 58.82 -6.98 41.53 59.99 -6.21 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 71 41.31 57.98 -9.22 40.31 58.06 -9.24 43.18 58.48 -10.74 44.32 58.10 -10.97 42.11 57.49 -10.33 41.21 57.16 -11.53 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 72 42.83 59.75 -10.85 41.87 59.94 -10.64 44.98 60.89 -10.27 46.14 61.06 -10.69 43.82 60.76 -11.25 43.13 62.13 -11.41 2 0 1000.00-999 ?-999 ?-999 ? mCYH~C 73 44.70 60.81 -8.98 43.74 60.65 -8.76 46.60 59.68 -7.88 47.78 59.74 -7.61 45.77 60.94 -7.99 45.21 61.31 -6.61 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 74 45.98 58.52 -8.09 45.00 58.57 -8.28 47.80 57.34 -9.13 48.98 57.15 -8.89 46.77 57.29 -8.01 45.89 56.02 -8.18 3 0 1000.00-999 ?-999 ?-999 ? mLYS~C 75 47.36 57.63 -10.35 46.37 57.79 -10.41 49.34 58.76 -11.26 50.54 58.54 -11.44 48.29 57.68 -11.48 47.53 57.94 -12.79 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 76 48.90 59.94 -10.83 47.91 59.98 -10.68 50.85 60.77 -9.56 52.03 61.06 -9.76 49.81 61.06 -10.61 49.02 62.33 -10.24 2 0 1000.00-999 ?-999 ?-999 ? mMETC 77 50.44 60.22 -8.42 49.46 60.02 -8.36 52.28 58.75 -7.73 53.43 58.68 -7.28 51.39 59.94 -7.37 50.67 59.68 -6.03 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 78 51.76 57.83 -8.55 50.82 57.98 -8.83 53.76 57.15 -9.82 54.90 56.71 -9.63 52.57 56.67 -8.97 51.72 55.67 -9.79 2 0 1000.00-999 ?-999 ?-999 ? mHIS~C 79 53.48 58.04 -10.77 52.52 58.30 -10.83 55.51 59.44 -10.88 56.71 59.43 -11.13 54.53 58.57 -11.64 53.92 59.35 -12.81 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 80 54.97 60.21 -9.94 53.97 60.13 -9.88 56.74 60.21 -8.29 57.95 60.51 -8.21 55.76 61.08 -9.10 54.81 61.83 -8.16 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 81 56.23 59.13 -7.72 55.26 58.99 -7.88 58.23 57.65 -7.71 59.37 57.59 -7.23 57.07 58.25 -6.90 56.22 57.14 -6.30 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 82 57.92 57.21 -8.92 56.96 57.31 -9.17 59.97 57.69 -10.17 61.16 57.38 -10.27 58.94 56.63 -9.80 58.28 56.06 -11.05 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 83 59.54 58.93 -10.34 58.56 59.07 -10.23 61.41 60.30 -9.52 62.58 60.64 -9.71 60.50 59.99 -10.69 59.77 61.25 -11.15 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 84 60.89 60.18 -8.30 59.92 59.93 -8.29 62.60 59.22 -6.78 63.44 59.30 -5.88 61.69 60.41 -7.10 60.77 60.68 -5.91 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 85 62.41 58.11 -7.49 61.69 58.17 -8.18 62.79 56.06 -6.07 63.61 55.34 -5.49 63.23 56.93 -7.23-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~C 86 61.50 56.11 -5.71 60.94 56.74 -6.24 61.08 53.83 -5.06 60.81 53.53 -6.22 61.00 55.29 -4.61 59.56 55.69 -4.27 3 0 1000.00-999 ?-999 ?-999 ? mSER~C 87 61.44 52.93 -4.14 61.59 53.31 -3.23 60.26 50.80 -4.69 59.22 51.19 -4.17 61.58 51.53 -4.48 62.38 50.80 -3.39 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 88 60.33 49.73 -5.48 61.24 49.55 -5.86 58.61 48.34 -4.47 57.38 48.25 -4.31 59.17 48.91 -5.77 59.56 47.76 -6.71 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 89 59.49 47.96 -3.54 60.45 48.09 -3.80 58.26 48.43 -1.45 57.25 48.10 -0.82 59.04 47.41 -2.26 60.22 46.91 -1.41 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 90 58.73 49.67 -1.45 59.57 49.79 -1.98 56.69 51.06 -1.32 55.75 51.39 -0.59 58.07 50.75 -0.73 58.94 52.01 -0.74 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 91 56.58 50.98 -2.64 57.42 50.72 -3.12 54.33 50.13 -3.09 53.14 50.35 -2.87 55.31 51.28 -3.29 55.53 51.58 -4.77 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 92 54.81 48.89 -3.14 55.79 48.80 -3.32 53.48 47.72 -1.46 52.36 47.31 -1.16 53.90 47.78 -2.92 54.53 46.45 -3.32 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 93 54.37 48.12 -0.54 55.25 48.42 -0.90 52.94 49.17 1.09 51.98 48.99 1.85 54.01 48.09 0.87 55.23 48.34 1.78 2 0 1000.00-999 ?-999 ?-999 ? mTHR~C 94 53.09 50.30 0.41 53.91 50.33 -0.16 50.71 50.89 0.03 49.67 51.22 0.60 52.09 51.37 0.53 52.53 52.63 -0.25 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 95 50.71 50.10 -1.03 51.62 49.92 -1.42 48.83 48.58 -0.54 47.62 48.62 -0.31 49.46 49.55 -1.56 49.72 48.81 -2.89 3 0 1000.00-999 ?-999 ?-999 ? mLYS~C 96 49.64 47.71 0.08 50.60 47.77 -0.19 48.54 47.51 2.26 47.51 47.13 2.83 49.12 46.75 1.06 50.23 45.79 1.53 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 97 49.20 48.61 2.62 50.01 48.81 2.07 47.42 50.10 3.43 46.55 50.16 4.30 48.75 49.42 3.73 49.82 50.48 4.12 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 98 47.25 50.62 2.21 48.02 50.51 1.59 44.89 50.24 1.85 43.77 50.50 2.27 45.99 51.28 1.85 46.10 51.93 0.44 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 99 45.22 49.04 1.38 46.17 48.95 1.09 43.79 47.58 2.73 42.58 47.40 2.98 44.25 47.95 1.32 44.89 46.74 0.60 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 100 44.74 47.49 3.65 45.66 47.66 3.30 43.65 48.28 5.74 42.79 48.01 6.58 44.44 47.16 5.05 45.73 46.92 5.82 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 101 43.97 49.53 5.41 44.71 49.61 4.74 41.79 50.64 5.70 40.94 50.96 6.56 43.29 50.69 6.01 43.87 52.00 5.47 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 102 41.47 50.28 4.46 42.23 50.08 3.85 39.37 49.05 4.82 38.20 49.17 5.21 40.07 50.20 4.08 39.93 50.05 2.56 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 103 40.09 47.95 5.03 41.02 47.98 4.65 39.38 47.22 7.21 38.36 46.95 7.83 39.54 46.80 5.75 40.49 45.58 5.63 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 104 40.40 47.89 7.74 41.17 48.02 7.12 39.13 49.24 9.41 38.50 49.12 10.47 40.36 48.37 9.13 41.59 49.23 9.48 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 105 38.79 50.14 8.48 39.37 50.13 7.66 36.32 50.33 8.78 35.41 50.80 9.46 37.66 51.05 8.68 37.60 52.12 7.56 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 106 36.18 49.20 8.09 36.97 48.94 7.54 34.84 47.87 9.60 33.77 47.90 10.22 34.94 48.43 8.18 34.95 47.29 7.14 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 107 35.95 47.37 10.15 36.77 47.41 9.57 35.59 47.95 12.48 34.85 47.77 13.46 35.89 46.82 11.51 37.19 46.12 11.90 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 108 36.16 49.13 12.20 36.75 49.13 11.39 34.46 50.70 13.07 33.98 51.23 14.06 35.93 50.29 13.04-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~C 109 33.74 50.46 11.98 34.26 50.06 11.23 31.42 49.64 12.39 30.19 49.78 12.37 32.32 50.78 11.93 31.91 51.13 10.49 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 110 32.00 48.52 12.79 33.00 48.54 12.82 30.66 47.26 14.59 29.89 46.35 14.88 31.18 47.36 13.17 31.95 46.04 12.82 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 111 31.07 48.15 15.49 31.69 48.84 15.14 29.07 47.85 17.05 28.62 46.94 17.74 30.59 48.03 16.89 31.06 49.24 17.72 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 112 28.27 48.71 16.41 28.73 49.41 15.87 26.27 47.18 16.16 25.27 46.71 16.72 26.81 48.56 16.55 26.26 49.68 15.65 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 113 26.93 46.53 15.19 27.71 47.03 14.81 26.97 44.13 15.77 26.17 43.30 16.22 26.53 45.20 14.76 27.14 44.88 13.38 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 114 28.25 44.17 16.15 28.79 44.89 15.72 28.00 43.26 18.44 27.79 42.24 19.08 28.78 43.22 17.10 30.27 43.52 17.33 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 115 27.58 44.45 18.85 27.81 45.21 18.24 25.55 43.76 20.12 25.15 43.30 21.18 26.82 44.60 20.09 26.45 46.08 20.32 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 116 24.92 43.54 18.96 25.36 43.94 18.16 23.84 41.25 18.83 22.85 40.52 18.86 23.68 42.76 18.95 22.70 43.24 17.84 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 117 25.08 40.78 18.69 25.79 41.48 18.69 25.47 38.66 19.92 25.50 39.38 20.94 25.32 39.34 18.56 26.58 39.10 17.74 3 0 1000.00-999 ?-999 ?-999 ?