HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-NOV-06 2NYS COMPND AGR_C_3712P; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58-ATCC 33970; SOURCE 5 GENE: AGR_C3712; 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_VECTOR: PET21 AUTHOR S.M.VOROBIEV,M.ABASHIDZE,J.SEETHARAMAN,L.ZHAO,L.C.MA, AUTHOR 2 K.CUNNINGHAM,C.NWOSU,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG, AUTHOR 3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 64 8 HET MSE A 75 8 HET MSE B 64 8 HET MSE B 75 8 mGLN.A 3 43.61 27.67 59.91 44.30 26.97 59.71 41.82 29.01 58.92 42.40 29.50 57.95 42.58 28.71 60.20 43.25 29.97 60.74 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 4 40.52 28.72 58.92 40.20 28.35 59.79 38.86 30.23 57.88 38.11 30.43 58.83 39.65 28.92 57.76 38.67 27.74 57.64 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 5 39.02 31.11 56.90 39.65 30.82 56.18 37.19 32.34 55.89 36.28 33.17 55.91 38.32 32.39 56.90 39.27 33.53 56.51 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 6 37.26 31.35 55.00 38.04 30.74 55.15 35.18 30.15 54.14 34.04 30.36 53.72 36.29 31.19 53.93 37.04 30.85 52.62 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 7 35.51 29.04 54.79 36.46 29.00 55.09 33.94 27.56 53.70 32.85 28.00 53.32 34.53 27.99 55.03 33.38 28.48 55.94 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 8 34.66 26.72 52.98 35.53 26.45 53.39 32.99 25.33 51.89 31.99 25.42 51.17 34.19 26.24 51.69 35.31 25.49 50.97 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 9 33.09 24.45 52.88 33.95 24.51 53.39 30.67 24.17 53.33 29.71 23.69 52.72 32.04 23.50 53.20 32.41 22.72 54.46 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 10 30.58 25.25 54.11 31.43 25.53 54.57 28.88 26.52 52.90 27.69 26.59 52.60 29.30 25.94 54.24 29.30 27.08 55.28 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 11 29.84 26.94 52.09 30.77 26.84 52.45 29.09 26.41 49.78 28.17 26.61 48.99 29.52 27.50 50.78 30.71 28.31 50.24 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 12 29.76 25.26 49.83 30.50 25.23 50.50 28.02 23.59 49.33 27.21 23.25 48.46 29.41 24.16 48.95 30.46 23.06 49.06 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 13 27.76 23.51 50.63 28.50 23.82 51.22 25.31 23.84 50.74 24.28 23.31 50.38 26.50 23.00 51.13 26.53 22.89 52.64 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 14 25.44 25.16 50.83 26.32 25.49 51.15 24.12 25.93 48.95 22.99 25.97 48.44 24.31 25.99 50.47 24.54 27.42 50.95 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 15 25.23 25.81 48.23 26.07 25.78 48.76 24.42 24.45 46.36 23.48 24.50 45.55 25.16 25.73 46.78 26.57 25.73 46.20 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 16 24.83 23.31 46.91 25.60 23.39 47.55 22.73 22.08 47.04 21.84 21.56 46.36 24.18 22.06 46.58 24.95 20.90 47.20 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 17 22.49 22.69 48.20 23.29 23.06 48.65 20.35 23.53 47.65 19.16 23.33 47.50 21.14 22.79 48.72 21.14 23.60 50.02 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 18 21.04 24.38 46.91 22.01 24.43 47.14 20.03 24.30 44.65 19.18 24.69 43.86 20.42 25.15 45.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL~A 19 20.67 23.15 44.52 21.37 22.97 45.21 18.97 21.62 43.74 18.10 21.57 42.88 20.35 22.24 43.44 21.41 21.14 43.31 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 20 18.79 21.19 44.99 19.58 21.30 45.59 16.41 21.61 45.20 15.27 21.22 44.98 17.53 20.61 45.43 17.50 20.28 46.95 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 21 16.71 22.90 45.25 17.68 23.11 45.43 15.22 24.02 43.64 14.02 24.10 43.36 15.68 23.92 45.07 16.14 25.30 45.49 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 22 16.16 24.04 42.70 17.11 23.96 43.01 15.14 22.89 40.80 14.24 22.91 39.96 15.73 24.18 41.33 16.85 24.70 40.44 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 23 15.64 21.75 41.29 16.39 21.86 41.94 13.67 20.36 41.43 12.71 20.22 40.67 15.09 20.48 40.85 15.99 19.31 41.29 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 24 13.52 20.45 42.75 14.36 20.57 43.28 11.30 21.48 42.76 10.10 21.30 42.59 12.18 20.37 43.32 12.20 20.51 44.85 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 25 11.90 22.63 42.50 12.88 22.66 42.67 10.63 23.50 40.57 9.55 23.96 40.21 11.13 23.74 41.98-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 26 11.42 22.78 39.77 12.27 22.46 40.19 9.86 21.53 38.38 8.96 21.65 37.56 11.03 22.50 38.40 12.21 21.92 37.62 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 27 9.87 20.57 39.30 10.66 20.58 39.91 7.53 20.22 39.91 6.44 19.96 39.41 8.81 19.58 39.39 9.21 18.42 40.33 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 28 7.67 21.07 40.92 8.61 21.19 41.25 5.82 22.53 40.38 4.61 22.68 40.36 6.51 21.74 41.49 6.93 22.67 42.62 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 29 6.62 23.01 39.43 7.59 22.81 39.57 5.13 22.92 37.49 3.92 23.18 37.47 6.09 23.78 38.31 7.24 24.27 37.44 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 30 5.67 21.91 36.82 6.66 21.83 36.94 3.88 20.20 36.84 2.66 20.33 36.68 4.88 21.01 35.99 5.81 20.01 35.25 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 31 4.41 19.38 37.74 5.41 19.37 37.77 3.89 17.11 38.39 3.22 16.23 38.95 3.57 18.57 38.60-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 32 4.91 16.83 37.59 5.37 17.63 37.21 6.80 15.26 37.28 7.53 16.10 36.77 5.29 15.46 37.33 4.64 14.99 36.02 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 33 7.28 14.15 37.83 6.59 13.56 38.26 9.08 13.46 36.37 8.34 12.76 35.69 8.70 13.85 37.80 9.06 12.68 38.72 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 34 10.24 13.91 35.90 10.79 14.48 36.51 11.25 12.15 34.47 12.00 11.76 35.37 10.61 13.54 34.53 11.58 14.64 34.13 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 35 10.95 11.41 33.41 10.32 11.83 32.76 11.27 9.17 34.42 10.15 9.08 34.93 11.51 10.08 33.23-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 36 12.33 8.49 34.86 13.17 8.65 34.35 12.67 8.27 37.29 12.88 7.61 38.31 12.23 7.59 36.01 13.08 6.34 35.79 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 37 12.82 9.58 37.27 12.62 10.02 36.39 12.28 10.33 39.61 11.09 10.55 39.43 13.26 10.29 38.46 13.64 11.73 38.12 3 0 1000.00-999 ?-999 ?-999 ? mHIS.A 38 12.81 10.11 40.80 13.78 9.90 40.79 13.03 10.46 43.13 14.20 10.08 43.02 12.02 10.16 42.02 11.22 8.85 42.27 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 39 12.60 11.17 44.17 11.63 11.40 44.15 13.25 10.99 46.61 12.11 10.94 47.08 13.52 11.55 45.23 13.55 13.08 45.35 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 40 14.33 10.59 47.28 15.18 10.65 46.76 14.79 11.28 49.42 15.97 11.61 49.32 14.26 10.09 48.64 15.17 8.88 48.84 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 41 13.92 11.95 50.16 12.99 11.58 50.15 14.23 12.82 52.41 13.16 12.56 52.96 14.31 13.12 50.93 13.41 14.30 50.59 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 42 15.36 12.89 53.08 16.16 13.14 52.54 15.54 13.88 55.29 16.47 14.64 55.05 15.39 12.59 54.50 16.57 11.66 54.80 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 43 14.65 14.12 56.25 13.93 13.43 56.36 14.53 15.19 58.53 14.22 14.10 59.02 14.76 15.34 57.03 13.81 16.41 56.49 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 44 14.71 16.28 59.26 15.00 17.08 58.73 13.09 16.77 61.01 12.73 17.91 60.74 14.51 16.29 60.71 15.52 17.22 61.38 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 45 12.29 15.87 61.55 12.71 14.98 61.71 10.83 17.19 63.01 9.81 17.86 63.19 10.90 16.18 61.88 10.19 14.92 62.30 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 46 11.93 17.29 63.75 12.68 16.69 63.48 12.39 19.63 64.51 11.90 20.58 65.13 11.99 18.21 64.87-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.A 47 13.27 19.79 63.53 13.58 18.94 63.11 12.63 22.13 62.98 11.50 21.78 62.65 13.75 21.11 63.13 14.53 21.02 61.83 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 48 12.94 23.42 63.22 13.90 23.57 63.47 11.49 24.75 61.69 12.27 24.60 60.75 11.95 24.49 63.11 12.68 25.69 63.70 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 49 10.23 25.15 61.54 9.71 25.23 62.39 9.09 24.20 59.59 8.40 24.32 58.58 9.70 25.43 60.23-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 50 9.36 23.04 60.17 9.96 23.11 60.97 7.38 21.67 60.13 7.07 21.83 61.31 8.83 21.77 59.69 9.59 20.56 60.28 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 51 6.48 21.41 59.19 6.85 21.30 58.27 4.47 19.95 59.12 4.10 19.75 57.97 5.06 21.30 59.52 4.27 22.43 58.85 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 52 4.38 19.04 60.09 4.73 19.36 60.97 2.79 17.38 60.99 2.86 17.94 62.08 3.81 17.71 59.88 4.92 16.61 59.84 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 53 1.86 16.48 60.69 1.95 16.11 59.76 1.27 15.25 62.83 2.33 14.62 62.80 0.81 16.08 61.63 -0.28 15.31 60.88 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 54 0.45 15.24 63.87 -0.38 15.79 63.75 0.90 13.01 64.70 1.70 12.28 65.28 0.75 14.47 65.09 -0.38 14.64 66.11 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 55 0.12 12.59 63.72 -0.50 13.29 63.35 1.61 10.88 62.86 2.19 9.95 63.41 0.17 11.22 63.23 -0.76 11.06 62.02 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 56 2.19 11.67 61.95 1.61 12.42 61.63 4.64 11.77 62.49 5.63 11.05 62.59 3.55 11.43 61.49 3.80 12.19 60.18 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 57 4.47 12.85 63.24 3.62 13.35 63.09 5.65 12.18 65.30 6.71 12.04 65.90 5.50 13.23 64.20 5.18 14.60 64.82 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 58 4.57 11.44 65.55 3.78 11.66 64.98 5.07 9.08 66.00 5.76 8.30 66.67 4.58 10.40 66.58 3.18 10.23 67.15 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 59 4.71 8.83 64.74 4.15 9.55 64.33 6.62 7.70 63.78 7.30 6.67 63.72 5.11 7.62 64.05 4.31 7.49 62.74 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 60 7.13 8.92 63.65 6.46 9.65 63.74 9.15 10.09 64.44 8.76 11.26 64.54 8.56 9.14 63.40 8.78 9.71 61.98 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 61 10.12 9.58 65.19 10.35 8.64 64.95 11.49 11.64 65.90 11.04 12.72 66.30 10.78 10.32 66.27 11.76 9.39 67.00 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 62 12.59 11.55 65.17 12.83 10.62 64.89 13.71 12.88 63.37 13.73 13.98 62.82 13.36 12.74 64.84 14.64 12.78 65.68 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 63 14.01 11.75 62.74 13.98 10.94 63.32 13.24 11.00 60.55 12.48 10.23 61.11 14.33 11.71 61.32 15.62 10.97 61.09 2 0 1000.00-999 ?-999 ?-999 ? mMETA 64 13.19 11.24 59.26 13.89 11.87 58.92 12.59 10.72 56.97 13.14 11.72 56.55 12.18 10.61 58.43 10.85 11.31 58.66 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 65 12.32 9.67 56.21 11.89 8.90 56.67 11.37 9.61 54.00 10.59 8.70 54.19 12.66 9.70 54.80 13.59 8.53 54.44 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 66 11.13 10.58 53.13 11.84 11.28 53.07 10.31 10.24 50.94 11.43 10.47 50.53 9.92 10.58 52.35 9.20 11.96 52.37 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 67 9.37 9.70 50.19 8.48 9.58 50.64 8.66 9.99 47.90 7.45 9.84 48.04 9.64 9.31 48.82 9.52 7.79 48.64 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 68 9.20 10.76 46.97 10.20 10.83 47.00 8.50 10.59 44.74 9.56 10.56 44.12 8.37 11.43 46.00 8.86 12.86 45.76 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 69 7.44 9.87 44.40 6.64 9.96 44.99 6.20 8.86 42.43 6.09 9.34 41.31 7.48 9.02 43.22 7.98 7.64 43.58 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 70 5.24 8.15 43.00 5.44 7.83 43.93 2.84 8.72 42.79 2.14 9.36 42.00 4.00 7.89 42.29 3.65 6.41 42.41 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 71 2.63 8.74 44.09 3.28 8.22 44.66 1.82 10.71 45.45 1.87 10.63 46.68 1.52 9.50 44.60 0.56 8.57 45.36 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 72 2.01 11.84 44.77 1.98 11.74 43.78 1.34 14.16 44.82 1.00 14.09 43.63 2.24 13.10 45.46 3.71 13.53 45.39 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 73 0.95 15.15 45.62 1.30 15.09 46.56 0.41 17.51 45.87 1.03 17.51 46.93 0.09 16.21 45.16 -1.39 15.84 45.40 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 74 0.00 18.61 45.26 -0.44 18.44 44.37 1.58 20.36 46.21 1.78 21.01 47.23 0.17 19.94 45.82 -0.75 20.09 47.03 2 0 1000.00-999 ?-999 ?-999 ? mMETA 75 2.57 20.00 45.40 2.30 19.48 44.59 4.14 21.85 45.44 3.97 22.31 44.31 3.93 20.38 45.72 4.94 19.58 44.93 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 76 4.55 22.57 46.47 4.68 22.04 47.31 6.18 24.29 46.89 6.48 24.07 48.06 4.78 23.99 46.37 3.72 24.71 47.21 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 77 7.05 24.78 46.02 6.70 24.87 45.08 8.33 26.60 46.85 7.76 27.43 46.15 8.40 25.14 46.42 9.40 24.96 45.26 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 78 8.89 26.91 48.00 9.31 26.14 48.49 10.32 28.75 48.63 11.23 28.17 48.04 8.88 28.27 48.50 8.13 28.35 49.86 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 79 10.52 29.82 49.40 9.68 30.20 49.80 12.57 29.62 50.72 13.74 29.27 50.60 11.85 30.38 49.61 11.74 31.86 49.98 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 80 11.83 29.35 51.80 10.89 29.68 51.72 12.54 27.15 52.80 13.54 26.59 53.28 12.32 28.66 52.98 11.35 28.90 54.15 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 81 11.60 26.50 52.12 10.85 27.07 51.80 10.65 24.67 50.86 10.51 25.33 49.83 11.70 25.07 51.88-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^A 82 9.93 23.58 51.12 10.17 23.11 51.97 7.74 22.43 50.92 7.84 22.08 52.10 8.88 23.14 50.20 9.45 22.25 49.08 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 83 6.64 22.25 50.20 6.70 22.59 49.27 5.11 20.46 49.83 5.19 20.59 48.61 5.45 21.59 50.75 4.27 22.56 50.80 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 84 4.71 19.33 50.39 4.67 19.35 51.39 3.22 17.43 50.21 3.02 17.45 51.43 4.37 18.19 49.58 5.60 17.25 49.40 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 85 2.44 16.77 49.35 2.68 16.87 48.39 1.58 14.55 49.40 1.77 14.28 48.22 1.34 15.98 49.83-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^A 86 1.62 13.64 50.38 1.52 14.05 51.29 0.80 11.49 51.05 0.13 12.13 51.88 1.80 12.21 50.15 3.20 11.70 50.56 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 87 0.71 10.17 50.89 1.29 9.80 50.17 0.65 8.36 52.53 1.53 7.68 52.01 -0.17 9.35 51.72 -1.19 8.60 50.86 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 88 0.36 8.30 53.83 -0.37 8.93 54.10 0.01 6.49 55.41 -0.85 6.95 56.16 1.04 7.40 54.76 1.76 8.21 55.84 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 89 0.12 5.20 55.11 0.90 4.99 54.51 -2.27 4.55 55.32 -3.16 4.41 56.16 -0.80 4.18 55.61 -0.56 3.89 57.12 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 90 -2.48 5.05 54.10 -1.64 5.13 53.56 -4.44 6.75 54.09 -5.57 7.08 53.71 -3.79 5.45 53.58 -4.76 4.29 53.73 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 91 -3.74 7.50 54.93 -2.85 7.12 55.19 -3.42 9.86 54.75 -2.21 9.95 54.98 -4.26 8.77 55.41 -4.18 8.88 56.97 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 92 -4.04 10.70 53.88 -5.02 10.52 53.75 -2.60 12.70 54.16 -3.08 12.95 55.26 -3.31 11.77 53.19 -4.41 12.49 52.41 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 93 -1.46 13.22 53.73 -1.21 12.95 52.80 -0.15 15.31 53.84 0.02 15.29 52.62 -0.67 14.09 54.57 0.53 13.32 55.13 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 94 0.11 16.37 54.59 -0.11 16.25 55.56 1.95 17.82 54.81 1.97 17.77 56.04 0.66 17.59 54.03 -0.31 18.76 54.23 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 95 3.04 18.03 54.08 2.89 18.03 53.09 5.00 19.53 54.30 5.04 19.86 53.11 4.32 18.24 54.73 5.28 17.08 54.41 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 96 5.53 20.25 55.29 5.39 19.86 56.20 7.68 21.19 55.49 7.93 20.99 56.67 6.26 21.48 55.04 5.69 22.65 55.85 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 97 8.61 21.16 54.54 8.27 21.34 53.61 10.91 22.03 54.50 11.06 22.36 53.32 10.00 20.88 54.86 10.58 19.67 54.06 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 98 11.49 22.70 55.49 11.28 22.41 56.43 13.70 23.18 54.62 14.19 22.21 55.19 12.39 23.80 55.13 12.56 24.57 56.44 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 99 14.26 23.74 53.54 13.76 24.52 53.19 16.61 22.92 53.93 17.34 21.95 53.77 15.50 23.23 52.94 16.04 24.20 51.90 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 100 16.74 23.76 54.96 16.08 24.50 54.98 17.49 22.43 56.92 18.30 22.11 57.79 17.78 23.56 55.95 18.03 24.88 56.68 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 101 16.33 21.81 56.78 15.75 22.17 56.05 16.30 19.37 56.90 16.36 18.31 57.53 15.96 20.68 57.62 14.47 20.73 57.95 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 102 16.51 19.45 55.59 16.41 20.37 55.21 18.24 17.78 55.19 19.18 18.56 55.30 16.86 18.28 54.79 16.89 18.62 53.28 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 103 18.36 16.48 55.39 17.52 15.96 55.25 20.24 15.17 54.60 21.44 15.17 54.40 19.63 15.90 55.78 19.42 14.91 56.93 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 104 19.39 14.55 53.80 18.42 14.61 54.07 18.85 13.86 51.52 17.66 13.99 51.77 19.86 13.83 52.64-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^A 105 19.35 13.76 50.29 20.34 13.68 50.28 19.13 12.69 48.17 20.31 12.76 47.83 18.54 13.76 49.08 18.63 15.11 48.38 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 106 18.32 11.71 47.78 17.39 11.77 48.13 17.83 10.39 45.78 16.61 10.44 45.95 18.80 10.63 46.92 19.01 9.35 47.74 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 107 18.39 10.15 44.60 19.38 10.16 44.62 18.11 8.54 42.87 19.04 8.49 42.06 17.61 9.89 43.40 17.90 10.98 42.38 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 108 17.49 7.43 43.31 16.75 7.60 43.96 18.00 5.94 41.36 18.84 5.19 40.86 17.90 6.09 42.87 16.82 5.19 43.46 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 109 17.16 6.67 40.64 16.54 7.23 41.19 18.48 6.81 38.51 18.79 6.14 37.54 17.13 6.64 39.18 16.22 7.75 38.65 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 110 19.28 7.72 39.03 18.92 8.19 39.84 21.63 7.99 39.55 22.62 8.69 39.46 20.58 7.99 38.46 20.58 9.37 37.75 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 111 21.38 7.20 40.58 20.52 6.70 40.52 22.99 8.39 42.09 24.22 8.47 42.09 22.30 7.07 41.71 23.34 6.01 41.38 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 112 22.19 9.40 42.40 21.22 9.18 42.34 22.26 11.00 44.24 21.07 11.09 44.53 22.68 10.72 42.80 22.11 11.80 41.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 113 23.23 11.17 45.13 24.16 11.09 44.77 23.63 12.66 47.08 24.76 12.94 46.72 22.92 11.44 46.53 23.27 10.22 47.38 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 114 22.95 13.40 47.96 22.02 13.07 48.13 23.27 14.47 50.08 22.22 14.02 50.51 23.52 14.57 48.59 22.88 15.85 48.06 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 115 24.24 14.88 50.88 25.06 15.20 50.41 24.45 16.18 52.92 25.26 16.91 52.38 24.09 14.83 52.33 24.98 13.74 52.91 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 116 23.84 16.52 54.04 23.19 15.84 54.40 24.21 17.61 56.19 23.98 16.53 56.72 24.10 17.80 54.69 22.96 18.77 54.37 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 117 24.59 18.68 56.88 24.80 19.49 56.32 23.36 19.26 58.79 23.28 20.43 59.14 24.68 18.66 58.33 25.86 19.50 58.82 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 118 22.31 18.44 58.75 22.54 17.52 58.44 20.79 19.34 60.57 19.98 20.23 60.82 20.96 18.85 59.13 19.98 17.72 58.84 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 119 21.53 18.75 61.54 22.16 18.03 61.25 21.74 20.70 63.13 20.88 21.46 63.64 21.37 19.23 62.92 22.25 18.27 63.73 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 4 16.46 10.17 33.22 15.62 9.70 33.50 17.47 12.35 32.49 18.42 13.10 32.24 17.71 10.87 32.80 18.31 10.16 31.58 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 5 16.21 12.76 32.50 15.56 12.04 32.74 16.47 15.20 33.09 16.42 16.39 32.77 15.81 14.13 32.21 14.29 14.27 32.31 3 0 1000.00-999 ?-999 ?-999 ? mILE.B 6 17.06 14.79 34.20 17.02 13.80 34.37 19.21 15.61 35.01 19.77 14.53 35.21 17.70 15.75 35.08 17.26 15.56 36.54 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 7 19.87 16.73 34.71 19.28 17.53 34.58 21.94 17.17 35.92 22.47 18.28 36.03 21.31 16.75 34.60 21.72 17.72 33.49 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 8 21.87 16.29 36.91 21.42 15.43 36.68 23.89 17.03 38.16 24.29 17.95 38.86 22.43 16.59 38.22 22.31 15.38 39.15 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 9 24.66 16.36 37.31 24.19 15.64 36.81 26.28 18.13 36.71 27.18 18.81 37.20 26.07 16.68 37.16 26.72 15.71 36.16 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 10 25.46 18.59 35.77 24.78 17.94 35.43 25.20 20.89 36.42 25.96 21.78 36.79 25.59 19.96 35.29 24.66 20.25 34.08 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 11 24.01 20.67 36.96 23.51 19.90 36.55 24.50 21.63 39.21 24.68 22.72 39.76 23.51 21.47 38.05 22.21 20.86 38.57 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 12 25.15 20.52 39.58 24.92 19.70 39.05 27.30 21.41 40.31 27.69 22.28 41.09 26.10 20.54 40.67 26.54 19.13 40.99 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 13 27.87 21.17 39.14 27.45 20.44 38.60 28.74 23.42 38.52 29.62 24.24 38.72 29.02 21.94 38.71 29.61 21.34 37.44 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 14 27.53 23.80 38.14 26.88 23.07 37.94 27.22 25.75 39.47 27.76 26.82 39.76 27.25 25.23 38.03 25.89 25.51 37.40 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 15 26.58 24.99 40.35 26.19 24.16 39.97 27.84 25.52 42.39 28.08 26.50 43.10 26.47 25.35 41.76 25.69 24.28 42.51 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 16 28.73 24.58 42.14 28.42 23.84 41.54 30.87 25.75 42.05 31.67 26.45 42.69 30.07 24.64 42.70 30.77 23.31 42.54 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 17 30.65 25.88 40.75 30.00 25.22 40.37 30.98 28.19 40.67 31.87 28.99 40.94 31.31 26.88 39.95 30.69 26.87 38.55 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 18 29.71 28.38 41.01 29.10 27.63 40.76 29.83 29.83 43.09 29.62 30.89 43.69 29.28 29.59 41.69-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL~B 19 30.51 28.83 43.64 30.56 28.00 43.07 32.46 29.66 44.69 32.87 30.56 45.44 31.13 28.94 44.95 31.35 27.54 45.58 3 0 1000.00-999 ?-999 ?-999 ? mILE~B 20 33.12 29.25 43.61 32.68 28.50 43.11 34.11 31.31 42.90 34.95 32.16 43.21 34.37 29.84 43.21 34.94 29.17 41.96 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 21 32.96 31.60 42.30 32.38 30.81 42.08 32.47 33.81 43.28 33.04 34.90 43.37 32.59 32.98 41.99 31.26 33.06 41.25 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 22 31.73 33.29 44.26 31.32 32.40 44.03 32.85 34.23 46.26 33.08 35.33 46.77 31.53 33.96 45.54 30.67 33.10 46.46 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 23 33.69 33.20 46.32 33.36 32.38 45.86 35.88 34.38 46.45 36.05 35.42 47.08 34.99 33.27 46.98 35.76 31.93 46.85 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 24 36.47 34.16 45.28 36.27 33.28 44.84 36.52 36.44 44.51 37.04 37.51 44.29 37.35 35.17 44.74 38.05 34.65 43.48 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 25 35.21 36.30 44.62 34.87 35.38 44.81 34.53 38.38 45.67 34.43 39.60 45.56 34.36 37.47 44.47-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~B 26 34.78 37.81 46.84 34.83 36.81 46.84 36.44 38.89 48.31 36.78 39.73 49.13 34.96 38.63 48.02 34.24 38.03 49.24 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 27 37.32 38.17 47.61 36.92 37.50 47.00 39.08 39.65 46.98 39.92 40.45 47.38 38.76 38.39 47.76 39.58 37.25 47.15 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 28 38.40 39.83 45.86 37.75 39.10 45.66 37.92 42.21 45.58 38.31 43.34 45.31 38.61 40.99 45.01 38.09 40.70 43.61 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 29 36.89 41.98 46.39 36.68 41.01 46.53 37.06 43.90 47.87 37.02 45.13 47.87 36.15 43.08 46.99 34.99 42.53 47.81 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 30 37.90 43.21 48.63 37.84 42.22 48.50 40.24 43.93 48.98 41.13 44.49 49.61 38.83 43.84 49.55 38.90 43.04 50.85 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 31 40.44 43.37 47.80 39.64 42.94 47.37 42.74 42.48 47.88 43.67 41.97 47.24 41.76 43.42 47.20-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.B 32 42.55 42.23 49.17 41.76 42.69 49.58 42.88 39.93 50.03 41.67 39.73 49.99 43.44 41.34 49.88 43.77 41.91 51.25 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 33 43.78 38.97 50.19 44.72 39.31 50.19 43.46 37.24 51.87 44.46 37.47 52.55 43.42 37.58 50.36 44.41 36.74 49.55 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 34 42.35 36.70 52.42 41.62 36.56 51.76 43.18 35.33 54.43 43.55 34.36 53.78 42.21 36.35 53.84 40.78 35.86 53.92 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 35 43.57 35.58 55.68 43.18 36.41 56.08 45.57 34.12 55.50 46.08 34.81 54.62 44.48 34.69 56.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.B 36 45.93 32.87 55.75 45.43 32.43 56.50 46.40 31.45 53.77 46.96 30.45 53.32 46.97 32.20 54.98 47.75 31.23 55.88 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 37 45.28 31.95 53.25 44.94 32.77 53.72 45.30 31.71 50.78 46.10 32.64 50.72 44.61 31.36 52.09 43.15 31.83 51.99 3 0 1000.00-999 ?-999 ?-999 ? mHIS.B 38 44.97 30.96 49.73 44.33 30.23 49.96 44.95 30.08 47.45 44.76 28.94 47.87 45.48 31.18 48.37 47.01 31.25 48.33 3 0 1000.00-999 ?-999 ?-999 ? mPHE.B 39 44.71 30.44 46.19 44.95 31.39 45.97 45.02 29.10 44.05 45.83 29.88 43.55 44.15 29.50 45.24 42.85 30.08 44.69 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 40 44.81 27.87 43.59 44.13 27.36 44.11 44.42 27.03 41.40 43.92 25.91 41.32 45.51 27.31 42.43 46.17 25.98 42.78 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 41 44.05 28.04 40.62 44.53 28.90 40.76 43.55 27.31 38.29 44.32 27.99 37.62 43.02 27.82 39.63 42.23 29.09 39.37 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 42 43.12 26.11 37.91 42.50 25.68 38.57 42.41 25.63 35.63 41.28 25.22 35.90 43.53 25.49 36.66 43.83 24.01 36.87 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 43 42.72 26.19 34.47 43.68 26.45 34.37 42.14 25.97 32.02 43.29 25.59 31.80 41.71 26.39 33.43 41.25 27.85 33.41 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 44 41.21 26.05 31.07 40.32 26.35 31.41 41.81 26.95 28.86 40.95 27.78 28.55 41.47 25.71 29.67 40.26 25.00 29.05 3 0 1000.00-999 ?-999 ?-999 ? mTHR.B 45 43.08 27.07 28.52 43.66 26.31 28.82 42.83 28.50 26.47 42.76 29.65 26.03 43.58 28.21 27.77 45.06 28.01 27.43 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 46 42.25 27.46 25.87 42.36 26.58 26.34 40.02 27.55 24.73 39.33 27.51 23.72 41.53 27.63 24.63-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.B 47 39.49 27.53 25.95 40.16 27.57 26.69 37.36 28.73 25.67 37.95 29.81 25.65 38.04 27.45 26.14 37.72 27.20 27.62 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 48 36.09 28.62 25.26 35.71 27.70 25.30 35.34 30.81 25.95 35.40 30.42 27.11 35.36 29.80 24.81 33.96 29.25 24.53 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 49 35.25 32.09 25.64 35.22 32.31 24.66 36.53 33.47 27.29 36.65 34.56 27.85 35.19 33.08 26.70-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.B 50 37.53 32.60 27.19 37.28 31.74 26.74 39.53 33.98 26.87 39.44 33.98 25.64 38.86 32.89 27.70 39.77 31.67 27.65 3 0 1000.00-999 ?-999 ?-999 ? mARG.B 51 40.18 34.92 27.55 40.14 34.79 28.54 42.34 35.94 27.39 42.65 36.23 28.54 40.89 36.02 26.91 40.30 37.38 27.31 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 52 43.24 35.56 26.50 42.88 35.38 25.59 45.48 36.15 25.80 44.99 37.06 25.14 44.64 35.42 26.87 44.97 33.90 26.96 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 53 46.75 35.78 25.65 47.05 35.07 26.28 48.19 35.24 23.84 48.29 34.13 24.36 47.60 36.39 24.63 48.72 37.22 25.26 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 54 48.56 35.48 22.58 48.40 36.41 22.25 50.41 33.98 22.51 50.84 32.83 22.41 49.15 34.41 21.79 49.50 34.88 20.38 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 55 50.98 34.92 23.26 50.52 35.80 23.24 51.93 33.52 25.02 52.58 32.48 24.96 52.18 34.65 24.03 52.61 35.92 24.78 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 56 50.98 33.72 25.93 50.52 34.61 25.86 50.10 31.42 26.33 50.44 30.33 26.77 50.64 32.71 26.94 49.60 33.27 27.93 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 57 49.26 31.56 25.31 49.07 32.51 25.06 49.74 29.60 23.91 49.60 28.39 23.72 48.67 30.41 24.62 47.62 30.89 23.62 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 58 50.81 30.27 23.50 50.79 31.25 23.70 52.87 29.13 23.90 54.04 28.84 23.64 51.92 29.60 22.82 52.64 30.58 21.89 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 59 52.36 29.06 25.12 51.40 29.32 25.18 52.43 27.51 27.01 53.07 26.60 27.53 53.15 28.63 26.25 53.42 29.83 27.17 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 60 51.10 27.58 27.05 50.72 28.38 26.58 49.11 26.13 26.83 47.96 26.13 27.27 50.27 26.57 27.72 49.71 27.11 29.04 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 61 49.43 25.76 25.60 50.41 25.80 25.43 47.11 24.74 25.03 46.07 25.12 24.49 48.46 25.33 24.59 49.14 24.36 23.62 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 62 47.12 23.82 26.00 48.03 23.60 26.36 45.29 23.75 27.73 44.15 24.23 27.75 45.88 23.19 26.45 46.07 21.69 26.62 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 63 46.05 23.67 28.82 46.94 23.23 28.69 46.71 24.76 30.92 47.80 24.19 30.99 45.58 24.19 30.08 44.80 23.13 30.86 2 0 1000.00-999 ?-999 ?-999 ? mMETB 64 46.44 25.89 31.54 45.50 26.22 31.39 46.89 26.68 33.81 45.68 26.69 34.04 47.40 26.60 32.37 47.59 28.00 31.78 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 65 47.81 26.74 34.76 48.76 26.73 34.44 48.00 28.04 36.88 49.17 28.06 37.25 47.43 26.82 36.17 47.89 25.59 36.93 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 66 47.17 29.06 37.06 46.25 28.93 36.70 47.62 30.01 39.25 47.18 28.96 39.70 47.61 30.26 37.75 46.67 31.44 37.45 3 0 1000.00-999 ?-999 ?-999 ? mVAL.B 67 48.13 30.98 40.02 48.45 31.77 39.52 47.95 32.20 42.16 48.85 33.02 42.23 48.19 30.85 41.48 49.56 30.35 41.96 3 0 1000.00-999 ?-999 ?-999 ? mILE.B 68 46.74 32.42 42.66 46.09 31.67 42.56 46.90 33.69 44.77 46.25 33.12 45.64 46.43 33.69 43.31 44.93 33.98 43.27 3 0 1000.00-999 ?-999 ?-999 ? mGLN.B 69 48.03 34.33 45.03 48.45 34.77 44.24 48.95 35.79 46.83 48.46 36.77 46.24 48.59 34.37 46.39 49.81 33.45 46.44 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 70 49.81 35.89 47.85 50.12 35.00 48.19 49.69 38.40 47.67 48.69 38.98 48.12 50.26 37.17 48.42 51.82 37.21 48.47 3 0 1000.00-999 ?-999 ?-999 ? mGLN.B 71 50.32 38.78 46.55 51.13 38.23 46.32 49.76 39.69 44.19 50.75 39.40 43.49 49.83 39.90 45.73 50.61 41.20 46.02 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 72 48.53 39.85 43.72 47.90 40.10 44.45 47.47 41.10 42.15 47.45 41.89 43.10 48.08 39.71 42.33 46.96 38.67 42.31 3 0 1000.00-999 ?-999 ?-999 ? mTRP^B 73 46.91 41.38 40.98 46.92 40.65 40.30 45.19 42.79 39.81 44.93 41.86 39.04 46.35 42.71 40.79 47.47 43.68 40.34 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 74 44.49 43.92 39.84 44.81 44.57 40.53 42.28 43.09 38.93 41.47 43.07 37.99 43.37 44.17 38.95 43.88 44.36 37.51 2 0 1000.00-999 ?-999 ?-999 ? mMETB 75 42.26 42.21 39.92 42.96 42.32 40.62 39.82 41.75 40.02 39.48 42.46 40.96 41.23 41.17 39.94 41.45 40.18 41.09 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 76 39.03 41.48 38.99 39.47 40.94 38.27 36.87 40.64 38.77 37.34 39.71 38.12 37.65 41.93 38.94 37.42 42.87 37.76 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 77 35.70 40.57 39.38 35.42 41.40 39.87 33.49 39.60 38.87 32.71 40.29 39.53 34.92 39.36 39.33 34.92 38.66 40.71 3 0 1000.00-999 ?-999 ?-999 ? mTHR.B 78 33.15 39.01 37.73 33.88 38.47 37.30 31.06 37.82 37.30 31.64 36.81 37.69 31.81 39.15 37.17 31.89 39.57 35.68 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 79 29.78 37.82 36.97 29.43 38.71 36.66 29.49 35.53 36.13 29.22 34.35 36.34 28.97 36.61 37.06 27.53 36.90 36.67 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 80 30.23 35.94 35.11 30.40 36.92 35.10 32.15 34.50 34.32 32.49 33.39 33.92 30.75 35.01 34.10 30.71 35.68 32.73 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 81 32.99 35.31 34.95 32.62 36.20 35.22 35.10 35.92 35.96 34.52 36.87 36.47 34.35 34.87 35.19-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^B 82 36.41 35.73 36.07 36.77 34.90 35.64 38.34 37.19 35.89 38.91 36.44 35.10 37.21 36.70 36.78 37.78 36.11 38.06 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 83 38.63 38.47 36.03 38.07 38.95 36.70 40.81 39.32 36.25 40.54 39.67 37.40 39.69 39.09 35.26 39.18 40.43 34.74 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 84 42.05 39.11 35.85 42.15 38.77 34.91 44.44 39.79 36.05 44.57 39.64 34.83 43.16 39.37 36.76 43.53 38.15 37.63 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 85 45.37 40.34 36.83 45.11 40.44 37.79 47.63 39.68 36.70 47.49 39.08 37.76 46.65 40.75 36.29-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.B 86 48.63 39.43 35.88 48.66 39.99 35.05 51.01 38.76 35.76 51.48 38.33 34.71 49.60 38.39 36.20 49.17 37.08 35.55 3 0 1000.00-999 ?-999 ?-999 ? mSER.B 87 51.69 39.56 36.58 51.19 39.83 37.40 53.95 38.81 35.97 54.16 37.93 36.80 53.06 39.99 36.28 53.64 40.77 37.46 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 88 54.49 38.80 34.75 54.23 39.58 34.18 56.80 38.24 34.24 57.05 39.44 34.21 55.37 37.74 34.31 54.93 37.22 32.94 3 0 1000.00-999 ?-999 ?-999 ? mSER.B 89 57.73 37.30 34.21 57.38 36.36 34.23 59.46 38.72 33.11 60.29 39.59 33.35 59.14 37.64 34.15 59.96 36.38 33.87 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 90 58.77 38.68 31.97 58.07 37.96 31.92 57.90 40.50 30.39 58.12 41.38 29.55 59.05 39.63 30.89 59.65 38.87 29.70 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 91 56.69 40.29 30.89 56.63 39.56 31.57 54.33 40.96 31.27 54.03 39.88 31.78 55.56 41.09 30.42 55.13 40.69 29.00 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 92 53.58 42.06 31.44 53.91 42.89 30.99 51.31 41.31 31.39 51.21 41.59 30.19 52.37 41.98 32.25 52.07 43.44 32.55 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 93 50.55 40.41 32.00 50.77 40.28 32.96 48.18 39.95 32.05 48.16 40.12 33.27 49.48 39.69 31.32 49.75 38.18 31.33 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 94 47.09 40.00 31.30 47.26 39.88 30.32 44.83 39.23 31.20 44.53 39.36 30.01 45.78 40.22 31.87 45.31 41.67 31.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 95 44.38 38.23 31.94 44.71 38.22 32.89 42.10 37.22 32.03 41.96 37.47 33.22 43.47 37.26 31.38 44.09 35.85 31.37 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 96 41.10 36.95 31.19 41.39 36.86 30.24 39.50 35.31 31.55 39.69 34.70 30.51 39.71 36.82 31.61 38.73 37.49 30.62 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 97 39.14 34.72 32.68 39.04 35.34 33.46 37.49 33.01 33.15 37.13 33.22 34.30 38.92 33.28 32.75 39.84 32.65 33.78 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 98 36.66 32.56 32.20 37.06 32.44 31.29 35.20 31.02 33.38 35.98 30.09 33.17 35.26 32.28 32.53 34.62 32.12 31.16 3 0 1000.00-999 ?-999 ?-999 ? mTYR.B 99 34.28 31.00 34.35 33.71 31.82 34.38 34.01 28.52 34.59 34.65 27.55 35.00 34.15 29.86 35.26 32.98 30.08 36.21 3 0 1000.00-999 ?-999 ?-999 ? mASN.B 100 33.17 28.46 33.56 32.71 29.33 33.34 34.27 26.67 32.28 34.36 25.49 31.97 32.95 27.22 32.83 31.97 27.43 31.67 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 101 35.28 27.53 32.17 35.06 28.47 32.46 37.48 26.55 32.74 38.47 25.88 32.44 36.58 27.12 31.66 37.28 28.29 30.99 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 102 37.14 26.80 34.01 36.33 27.37 34.12 37.70 24.78 35.21 36.56 24.32 35.10 37.94 26.28 35.12 37.52 26.90 36.47 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 103 38.76 24.00 35.40 39.64 24.46 35.45 39.06 22.09 36.87 38.91 20.93 37.23 38.56 22.56 35.52 39.29 21.80 34.41 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 104 39.66 23.00 37.62 39.72 23.92 37.23 40.47 23.85 39.80 41.05 24.82 39.33 40.17 22.65 38.93-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^B 105 40.06 23.77 41.06 39.59 22.91 41.28 40.85 24.19 43.29 40.23 23.30 43.85 40.27 24.84 42.04 38.94 25.52 42.37 3 0 1000.00-999 ?-999 ?-999 ? mTYR^B 106 42.03 24.61 43.72 42.43 25.35 43.19 43.16 25.05 45.88 43.92 25.93 45.51 42.66 24.00 44.89 43.85 23.12 44.46 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 107 42.72 24.95 47.13 42.07 24.19 47.27 43.85 24.99 49.19 43.22 24.16 49.83 43.14 25.87 48.17 41.94 26.54 48.83 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 108 45.17 25.14 49.34 45.60 25.85 48.78 45.76 24.65 51.80 45.81 23.77 52.66 45.89 24.30 50.31 47.34 24.39 49.83 3 0 1000.00-999 ?-999 ?-999 ? mSER.B 109 45.58 25.93 52.11 45.53 26.55 51.32 44.46 25.57 54.32 44.65 25.35 55.51 45.46 26.37 53.50 45.09 27.85 53.57 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 110 43.37 25.16 53.67 43.35 25.43 52.71 42.08 23.10 53.55 41.03 22.47 53.68 42.32 24.38 54.32 41.00 25.18 54.39 3 0 1000.00-999 ?-999 ?-999 ? mASN.B 111 43.06 22.71 52.74 43.85 23.32 52.75 41.60 21.32 51.26 40.89 20.37 51.56 42.98 21.52 51.91 43.35 20.28 52.72 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 112 41.26 22.24 50.37 41.95 22.95 50.23 40.25 22.02 48.16 41.13 22.65 47.59 39.99 22.22 49.65 39.25 23.54 49.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 113 39.47 21.14 47.53 38.77 20.72 48.11 38.36 20.65 45.34 37.45 19.95 45.77 39.65 20.85 46.12 40.53 19.60 45.97 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 114 38.29 21.29 44.17 39.10 21.84 43.98 37.68 20.71 41.94 38.79 21.04 41.55 37.15 21.19 43.28 36.49 22.55 43.08 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 115 36.89 19.91 41.23 36.01 19.69 41.67 36.08 19.37 39.04 35.00 19.01 39.48 37.30 19.42 39.93 37.93 18.04 40.06 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 116 36.26 19.74 37.77 37.20 19.98 37.53 35.46 19.00 35.56 36.61 18.65 35.29 35.15 19.76 36.84 34.82 21.21 36.50 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 117 34.42 18.75 34.76 33.54 19.07 35.13 34.59 19.14 32.39 33.60 19.83 32.16 34.56 18.08 33.48 33.39 17.14 33.21 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 118 35.73 19.26 31.73 36.45 18.63 32.02 35.96 19.56 29.30 37.00 19.71 28.61 35.88 20.24 30.67 37.12 21.11 30.91 3 0 1000.00-999 ?-999 ?-999 ?