HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-DEC-05 2FFG COMPND YKUJ; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: YKUJ; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) + MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR A.P.KUZIN,M.ABASHIDZE,F.FOROUHAR,S.M.VOROBIEV,C.K.HO, AUTHOR 2 H.JANJUA,K.CUNNINGHAM,K.CONOVER,L.C.MA,R.XIAO,T.B.ACTON, AUTHOR 3 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 5 8 HET MSE A 25 8 HET MSE A 69 8 HET MSE B 5 8 HET MSE B 25 8 HET MSE B 69 8 mSER~A 2 23.68 57.35 14.37 24.13 57.11 13.51 24.03 58.32 16.62 25.24 58.18 16.44 23.01 57.72 15.65 22.39 56.48 16.30 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 3 23.52 58.99 17.64 22.52 59.02 17.67 25.32 58.64 19.30 26.50 58.92 19.47 24.37 59.63 18.63 23.51 60.33 19.68 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 4 24.79 57.47 19.65 23.82 57.38 19.43 26.76 56.02 19.40 27.91 55.93 19.86 25.59 56.44 20.30 24.69 55.25 20.64 3 0 1000.00-999 ?-999 ?-999 ? mMETA 5 26.47 55.78 18.12 25.50 55.88 17.90 28.62 56.44 17.18 29.80 56.09 17.27 27.49 55.40 17.14 26.86 55.35 15.73 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 6 28.23 57.71 17.14 27.23 57.84 17.10 30.06 58.89 18.39 31.20 59.35 18.29 29.18 58.80 17.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~A 7 29.54 58.46 19.53 28.61 58.12 19.45 31.34 57.39 20.84 32.44 57.56 21.35 30.30 58.50 20.78 29.38 58.31 22.01 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 8 30.97 56.23 20.32 30.04 56.22 19.94 33.00 55.32 19.35 34.14 54.99 19.65 31.85 55.08 20.31 31.07 53.82 19.87 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 9 32.70 55.89 18.19 31.73 56.10 18.06 34.78 57.08 17.86 35.97 56.78 17.85 33.73 56.17 17.22 33.16 56.87 15.97 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 10 34.30 58.17 18.45 33.31 58.27 18.41 36.06 58.50 20.18 37.21 58.89 20.38 35.19 59.12 19.09 34.37 60.28 19.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 11 35.50 57.53 20.91 34.56 57.29 20.66 37.27 55.90 21.39 38.29 55.63 22.01 36.25 56.88 21.96 35.31 56.16 22.93 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 12 36.98 55.37 20.21 36.12 55.66 19.81 39.11 55.18 19.06 40.24 54.72 19.23 37.90 54.43 19.58 37.21 53.70 18.43 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 13 38.87 56.33 18.45 37.91 56.59 18.37 40.72 57.77 19.10 41.90 58.08 18.99 39.97 57.14 17.94 39.47 58.22 16.97 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 14 40.03 57.93 20.23 39.08 57.63 20.17 41.69 57.56 21.99 42.78 57.99 22.36 40.63 58.51 21.42 39.54 58.80 22.47 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 15 41.38 56.27 22.04 40.46 56.03 21.71 43.43 55.07 21.52 44.61 54.97 21.84 42.34 55.30 22.56 41.67 53.97 22.91 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 16 43.01 54.99 20.26 42.02 55.08 20.15 45.01 55.85 19.20 46.20 55.57 19.04 43.93 54.78 19.16 43.14 54.86 17.85 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 17 44.60 57.09 19.45 43.62 57.19 19.58 46.40 58.16 20.76 47.55 58.60 20.76 45.54 58.20 19.51 44.79 59.54 19.44 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 18 45.86 57.60 21.84 44.92 57.26 21.71 47.68 56.43 23.06 48.74 56.60 23.67 46.59 57.50 23.09 45.63 57.22 24.22 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 19 47.42 55.33 22.37 46.53 55.31 21.92 49.62 54.69 21.49 50.76 54.42 21.87 48.40 54.25 22.29 47.76 53.01 21.67 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 20 49.37 55.39 20.39 48.40 55.55 20.22 51.28 56.97 20.20 52.51 56.95 20.13 50.43 55.89 19.53 49.83 56.43 18.23 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 21 50.62 57.93 20.85 49.62 57.83 20.82 51.97 58.47 22.79 52.78 59.15 23.43 51.32 59.01 21.52 50.34 60.12 21.88 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 22 51.62 57.24 23.14 50.98 56.80 22.50 51.96 57.46 25.57 52.86 57.58 26.39 52.13 56.59 24.33 53.60 56.22 24.16 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 23 50.78 58.07 25.68 50.15 57.90 24.92 48.95 59.14 26.93 48.24 59.16 25.92 50.46 58.92 26.82 51.17 60.27 26.72 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 24 48.44 59.29 28.16 49.12 59.25 28.89 46.48 60.62 27.51 47.18 61.59 27.22 47.01 59.51 28.40 46.97 59.91 29.87 3 0 1000.00-999 ?-999 ?-999 ? mMETA 25 45.24 60.46 27.06 44.79 59.62 27.35 43.17 61.63 26.67 42.58 60.71 27.22 44.62 61.46 26.21 44.67 61.02 24.75 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 26 42.61 62.81 26.43 43.18 63.47 25.95 40.47 63.98 25.92 41.06 64.68 25.10 41.25 63.08 26.87 41.29 63.73 28.24 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 27 39.15 63.95 26.03 38.81 63.30 26.71 36.98 65.10 25.99 36.64 64.42 26.97 38.28 64.81 25.23 37.98 64.19 23.86 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 28 36.27 66.12 25.54 36.67 66.58 24.74 33.84 66.15 25.31 33.96 65.90 24.12 35.03 66.54 26.16 34.98 68.06 26.32 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 29 32.69 66.09 25.96 32.76 66.24 26.94 30.59 66.92 25.81 30.36 67.02 27.01 31.45 65.81 25.27 30.87 64.46 25.66 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 30 30.15 67.79 24.92 30.43 67.63 23.97 27.97 68.87 24.62 27.83 68.27 23.56 29.31 68.89 25.33 30.02 70.22 25.10 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 31 27.00 69.50 25.25 27.28 69.90 26.12 25.34 71.10 24.73 25.35 71.72 25.79 25.65 69.61 24.72 24.63 68.86 25.61 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 32 25.09 71.67 23.56 25.16 71.05 22.78 25.90 74.00 23.95 25.68 74.94 24.70 24.76 73.09 23.47 23.48 73.37 24.27 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 33 27.12 73.69 23.51 27.16 72.89 22.92 28.79 74.31 25.31 29.83 74.86 25.67 28.28 74.48 23.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 34 28.07 73.56 26.12 27.25 73.15 25.71 29.08 71.97 27.78 28.52 70.94 27.41 28.47 73.35 27.51 27.25 73.56 28.42 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 35 30.24 71.97 28.44 30.58 72.88 28.68 30.12 69.93 29.79 29.92 70.38 30.91 30.92 70.72 28.77 32.32 71.01 29.33 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 36 29.67 68.74 29.40 29.89 68.50 28.46 29.86 66.92 30.98 29.75 66.67 32.18 28.91 67.88 30.29 27.85 67.06 29.53 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 37 30.81 66.38 30.21 30.77 66.67 29.25 33.04 65.30 29.84 33.06 65.72 28.68 31.80 65.44 30.73 31.15 64.06 30.93 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 38 34.10 64.73 30.40 33.98 64.49 31.36 35.76 63.06 29.92 35.49 62.51 31.00 35.31 64.49 29.64 36.41 65.47 30.05 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 39 36.40 62.44 28.95 36.53 62.97 28.11 38.36 61.02 28.86 38.85 61.60 27.90 36.87 61.08 29.14 36.11 60.08 28.22 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 40 39.08 60.33 29.72 38.56 59.93 30.48 40.84 58.69 29.43 40.32 57.85 30.18 40.52 60.18 29.57 41.23 60.77 30.78 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 41 41.66 58.36 28.45 41.99 59.12 27.89 43.43 56.69 28.74 44.39 57.33 28.31 42.03 56.97 28.23 41.98 56.62 26.74 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 42 43.55 55.74 29.67 42.69 55.32 29.94 45.26 54.02 29.62 44.59 53.02 29.87 44.85 55.37 30.21 44.80 55.25 31.73 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 43 46.33 53.99 28.84 46.77 54.88 28.70 47.62 51.97 29.27 48.45 51.13 28.92 46.79 52.74 28.25 47.62 52.99 26.99 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 44 47.38 52.29 30.54 46.70 53.01 30.64 47.10 50.49 31.99 46.99 50.01 33.12 48.03 51.65 31.67 48.11 52.62 32.85 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 45 46.44 50.07 30.92 46.69 50.60 30.11 44.76 49.45 29.60 45.39 50.02 28.72 45.47 48.99 30.87 44.49 49.04 32.06 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 46 43.46 49.23 29.53 43.06 48.76 30.32 41.46 50.31 28.94 40.34 50.10 28.46 42.70 49.65 28.36 42.31 48.43 27.52 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 47 41.66 51.13 29.97 42.63 51.25 30.22 40.28 53.26 30.40 41.16 54.04 30.02 40.56 51.79 30.67 40.73 51.65 32.19 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 48 39.03 53.63 30.62 38.44 52.88 30.92 38.21 55.56 31.78 37.68 54.85 32.64 38.59 54.99 30.43 37.36 55.03 29.52 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 49 38.51 56.83 31.98 38.99 57.27 31.22 37.17 58.62 32.83 37.52 59.55 32.10 38.14 57.51 33.21 39.36 58.10 33.90 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 50 35.94 58.50 33.29 35.77 57.69 33.84 34.78 60.51 34.12 34.61 60.14 35.28 34.93 59.50 32.98 33.59 58.82 32.73 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 51 34.87 61.78 33.77 35.04 61.92 32.80 33.43 63.60 34.41 33.22 64.07 33.29 34.74 62.87 34.72 35.93 63.83 34.61 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 52 32.55 63.67 35.41 32.87 63.25 36.26 31.21 65.64 36.00 31.37 65.71 37.22 31.24 64.30 35.27 30.13 63.41 35.87 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 53 30.99 66.72 35.26 30.83 66.54 34.29 29.70 68.43 36.58 28.61 67.96 36.25 30.99 68.04 35.86 31.33 69.10 34.79 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 54 29.86 69.26 37.60 30.81 69.49 37.79 29.14 71.17 38.82 30.19 71.35 39.44 28.74 69.77 38.37 28.44 68.89 39.59 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 55 28.33 72.17 38.48 27.52 71.88 37.97 28.94 73.81 40.33 28.25 73.32 41.23 28.62 73.55 38.85 27.46 74.45 38.43 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 56 29.99 74.58 40.56 30.46 74.90 39.74 30.86 73.72 42.72 31.16 73.84 43.92 30.40 74.92 41.91-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 57 30.95 72.57 42.07 30.72 72.62 41.10 32.58 70.69 42.10 32.81 70.83 40.90 31.36 71.35 42.74 30.19 70.37 42.74 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 58 33.35 69.98 42.90 33.06 70.00 43.86 33.90 68.11 41.56 32.94 67.45 41.97 34.50 69.24 42.41 35.27 68.67 43.62 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 59 34.44 67.86 40.36 35.22 68.43 40.09 34.12 65.36 40.04 35.12 65.09 40.69 33.86 66.79 39.55 34.45 67.04 38.16 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 60 33.20 64.46 39.72 32.42 64.82 39.20 33.87 62.23 38.95 33.51 62.47 37.80 33.35 63.06 40.11 32.03 62.51 40.62 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 61 34.74 61.28 39.25 34.97 61.21 40.22 34.90 58.97 38.42 34.73 58.51 39.54 35.32 60.41 38.22 36.83 60.45 38.24 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 62 34.73 58.26 37.31 34.92 58.78 36.47 35.16 56.06 36.34 35.25 56.41 35.16 34.32 56.87 37.32 32.85 56.75 36.93 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 63 35.80 54.98 36.82 35.67 54.80 37.80 35.77 53.17 35.12 34.74 52.69 35.60 36.61 54.17 35.91 37.60 53.51 36.86 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 64 36.19 52.88 33.90 37.02 53.39 33.64 36.63 51.24 32.22 37.58 51.88 31.78 35.53 51.93 33.01 34.59 52.63 32.01 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 65 36.52 49.93 32.06 35.71 49.52 32.47 36.92 48.72 30.00 37.58 48.06 29.20 37.52 49.18 31.31 38.01 47.97 32.11 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 66 35.67 49.09 29.76 35.24 49.64 30.48 34.39 49.89 27.80 33.54 50.60 28.32 34.99 48.70 28.54 33.90 47.68 28.85 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 67 34.85 50.09 26.56 35.52 49.41 26.27 32.87 51.26 25.51 32.31 52.35 25.45 34.40 51.18 25.72 35.09 51.09 24.35 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 68 32.21 50.12 25.41 32.76 49.29 25.49 30.04 50.64 26.45 29.04 51.35 26.34 30.76 50.13 25.21 30.23 48.73 24.85 2 0 1000.00-999 ?-999 ?-999 ? mMETA 69 30.56 50.28 27.61 31.38 49.72 27.55 30.18 52.16 29.23 29.33 52.78 29.86 29.96 50.70 28.86 30.45 49.79 29.97 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 70 31.32 52.72 28.84 31.96 52.12 28.36 30.75 54.94 28.14 30.21 55.99 28.48 31.57 54.12 29.14 33.08 54.46 29.03 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 71 30.62 54.44 26.92 31.10 53.57 26.78 28.38 55.24 26.30 27.75 56.27 26.07 29.84 55.10 25.89 29.92 54.32 24.58 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 72 27.85 54.19 26.90 28.48 53.42 27.02 26.23 55.20 28.43 25.24 55.94 28.41 26.46 54.15 27.35 26.12 52.75 27.89 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 73 27.15 55.24 29.38 27.88 54.57 29.26 27.11 57.60 29.93 26.33 58.46 30.36 27.08 56.17 30.48 28.28 55.93 31.40 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 74 28.01 57.85 28.99 28.58 57.07 28.73 26.78 59.53 27.72 26.24 60.62 27.91 28.10 59.18 28.40 29.23 59.28 27.37 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 75 26.26 58.59 26.94 26.80 57.75 26.89 23.87 59.19 27.18 23.23 60.22 27.01 25.00 58.79 26.23 24.62 57.51 25.48 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 76 23.63 58.36 28.20 24.23 57.56 28.25 22.77 59.99 29.84 21.82 60.70 30.16 22.56 58.64 29.14 22.46 57.50 30.17 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 77 24.03 60.33 30.05 24.69 59.66 29.72 24.05 62.77 29.80 23.56 63.80 30.26 24.39 61.58 30.71 25.88 61.55 31.02 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 78 24.31 62.62 28.51 24.72 61.73 28.27 22.53 63.74 27.31 22.01 64.79 26.96 24.02 63.67 27.57 24.76 63.42 26.25 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 79 21.84 62.61 27.48 22.38 61.82 27.77 19.68 63.41 28.26 18.76 64.14 27.92 20.40 62.57 27.24 19.86 61.14 27.28 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 80 20.10 63.30 29.52 20.84 62.66 29.68 19.82 65.56 30.28 19.26 66.47 30.88 19.46 64.10 30.55 19.89 63.64 31.95 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 81 20.75 65.75 29.34 21.11 64.90 28.95 22.00 67.82 29.99 23.11 68.29 29.64 21.19 67.08 28.92 19.97 67.89 28.49 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 2 38.56 52.66 7.36 38.33 52.30 8.27 39.69 54.47 6.15 39.73 55.08 7.21 38.90 53.19 6.01 37.63 53.49 5.22 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 3 40.33 54.87 5.06 40.21 54.29 4.26 40.23 57.32 5.29 40.57 58.24 6.03 41.12 56.08 5.09 41.90 56.21 3.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 4 39.08 57.33 4.63 38.90 56.52 4.08 37.69 58.65 6.18 37.67 59.77 6.68 38.17 58.46 4.74 36.98 58.26 3.80 3 0 1000.00-999 ?-999 ?-999 ? mMETB 5 37.31 57.56 6.84 37.39 56.71 6.33 37.88 58.35 9.09 37.54 59.22 9.88 36.84 57.66 8.22 36.52 56.27 8.78 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 6 39.15 57.97 8.91 39.28 57.27 8.22 40.31 60.07 9.53 40.59 60.80 10.48 40.22 58.57 9.69-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~B 7 40.06 60.53 8.31 39.83 59.84 7.62 38.97 62.64 8.73 39.14 63.72 9.31 40.12 61.95 8.02 40.04 62.20 6.52 3 0 1000.00-999 ?-999 ?-999 ? mILE~B 8 37.80 62.02 8.68 37.81 61.16 8.17 36.79 62.72 10.85 36.48 63.76 11.41 36.62 62.57 9.34 35.38 61.69 9.10 3 0 1000.00-999 ?-999 ?-999 ? mTHR~B 9 37.27 61.66 11.51 37.48 60.86 10.95 38.51 62.70 13.40 38.39 63.34 14.44 37.44 61.71 12.96 37.72 60.30 13.56 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 10 39.56 62.84 12.60 39.58 62.25 11.79 39.95 65.18 12.92 40.14 65.97 13.84 40.59 63.79 12.95 41.77 63.72 11.97 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 11 39.16 65.46 11.89 39.07 64.71 11.23 37.44 66.97 12.81 37.23 68.09 13.28 38.50 66.75 11.75 37.87 66.90 10.37 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 12 36.75 65.89 13.18 36.99 65.05 12.70 36.37 66.52 15.48 35.84 67.42 16.12 35.73 65.98 14.21 35.11 64.61 14.50 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 13 37.52 65.96 15.83 37.86 65.25 15.22 38.82 67.79 16.83 38.94 68.57 17.77 38.20 66.40 17.04 39.27 65.39 17.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 14 39.22 68.08 15.60 39.08 67.35 14.93 38.75 70.40 15.68 39.00 71.33 16.45 39.80 69.38 15.29 40.10 69.47 13.78 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 15 37.55 70.18 15.16 37.50 69.38 14.57 36.06 71.08 16.91 35.85 72.15 17.48 36.42 71.04 15.43 35.23 70.54 14.63 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 16 35.97 69.90 17.53 36.18 69.12 16.95 36.62 70.37 19.92 36.24 71.02 20.90 35.61 69.80 18.94 35.30 68.34 19.30 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 17 37.91 70.15 19.69 38.13 69.61 18.88 38.92 72.21 20.42 39.37 72.94 21.29 38.90 70.71 20.61 40.31 70.15 20.37 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 18 38.43 72.66 19.26 38.12 71.95 18.64 37.42 74.72 19.98 37.69 75.80 20.52 38.37 74.09 18.97 37.86 74.32 17.55 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 19 36.29 74.05 20.22 36.18 73.22 19.68 35.59 73.74 22.49 34.83 72.87 22.90 35.32 74.51 21.20 33.88 74.29 20.71 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 20 36.72 74.07 23.10 37.23 74.78 22.62 37.98 74.58 25.00 38.37 74.49 26.17 37.19 73.47 24.34 38.09 72.28 24.05 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 21 38.21 75.64 24.23 37.84 75.56 23.31 38.48 78.05 23.93 39.08 79.12 24.05 38.94 76.81 24.70 40.45 76.60 24.50 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 22 37.41 77.90 23.16 37.02 76.98 23.17 37.96 79.67 21.53 38.20 80.88 21.64 36.86 79.01 22.37 36.21 80.06 23.27 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 23 38.61 78.88 20.70 38.31 77.92 20.72 39.90 78.39 18.69 39.70 77.18 18.84 39.68 79.37 19.83 40.97 79.52 20.64 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 24 40.32 78.90 17.51 40.43 79.89 17.52 41.58 76.93 16.60 42.22 76.90 17.65 40.57 78.05 16.34 41.05 79.06 15.30 3 0 1000.00-999 ?-999 ?-999 ? mMETB 25 41.71 76.01 15.64 41.13 76.19 14.84 43.09 74.49 14.33 42.43 74.85 13.35 42.61 74.85 15.75 41.83 73.68 16.37 2 0 1000.00-999 ?-999 ?-999 ? mGLN.B 26 44.23 73.79 14.19 44.68 73.55 15.06 45.34 72.01 12.76 45.64 71.39 13.78 44.73 73.43 12.86 45.75 74.47 12.38 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 27 45.52 71.51 11.54 45.24 72.12 10.80 46.59 69.90 9.90 45.99 70.34 8.92 46.08 70.16 11.33 45.03 69.10 11.69 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 28 47.69 69.15 9.80 48.06 68.86 10.68 47.94 67.36 8.10 47.70 66.50 8.94 48.29 68.79 8.51 49.81 68.88 8.59 3 0 1000.00-999 ?-999 ?-999 ? mPHE.B 29 47.91 67.11 6.79 48.09 67.91 6.22 48.77 65.42 5.30 49.05 66.17 4.37 47.64 65.77 6.26 46.28 65.72 5.56 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 30 49.41 64.28 5.50 49.07 63.71 6.25 50.56 62.56 3.96 49.76 61.67 4.26 50.54 63.93 4.64 51.83 64.06 5.44 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 31 51.50 62.43 3.04 52.05 63.26 2.90 53.24 61.03 2.20 53.91 61.76 1.47 51.72 61.20 2.30 51.11 61.27 0.89 3 0 1000.00-999 ?-999 ?-999 ? mASN.B 32 53.75 60.06 2.95 53.07 59.54 3.47 55.96 60.96 3.56 56.92 61.43 2.95 55.18 59.77 2.99 55.71 59.40 1.60 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 33 55.52 61.45 4.72 54.72 60.98 5.09 56.03 63.92 4.69 56.46 64.94 5.24 56.18 62.57 5.36-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^B 34 55.41 63.95 3.52 55.10 63.06 3.19 53.83 65.80 3.02 52.81 65.14 2.82 55.21 65.20 2.80 55.42 64.97 1.30 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 35 53.81 67.06 3.44 54.71 67.47 3.58 51.82 68.02 2.36 52.37 68.59 1.43 52.56 67.78 3.68 52.85 69.14 4.34 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 36 50.58 67.57 2.29 50.24 67.12 3.11 48.86 68.96 1.25 48.71 69.77 0.35 49.79 67.76 1.07 48.97 66.49 0.74 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 37 48.26 69.06 2.42 48.47 68.33 3.07 47.27 70.39 4.20 47.76 69.58 4.99 47.36 70.17 2.70 45.96 69.90 2.11 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 38 46.63 71.48 4.58 46.28 72.03 3.82 45.04 72.33 6.23 44.40 72.89 5.34 46.47 71.85 5.97 47.46 72.97 6.31 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 39 44.53 72.10 7.43 45.15 71.64 8.07 43.12 73.26 9.08 43.85 72.93 10.01 43.17 72.51 7.76 42.22 71.29 7.89 3 0 1000.00-999 ?-999 ?-999 ? mLYS^B 40 42.26 74.26 9.14 41.75 74.41 8.29 40.56 75.23 10.52 39.83 75.33 9.54 42.07 75.07 10.33 42.73 76.43 10.15 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 41 40.10 75.24 11.77 40.79 75.12 12.48 38.40 76.66 12.83 39.15 77.01 13.74 38.68 75.39 12.04 38.14 74.19 12.81 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 42 37.32 77.34 12.47 36.80 76.94 11.72 35.65 78.37 13.91 34.58 78.24 13.31 36.94 78.57 13.15 36.78 79.71 12.14 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 43 35.77 78.33 15.23 36.71 78.46 15.56 33.58 79.22 15.95 32.44 78.94 15.62 34.64 78.13 16.13 35.13 78.11 17.58 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 44 33.99 80.46 16.20 34.95 80.53 16.48 32.99 81.89 14.59 33.36 82.96 14.11 33.10 81.61 16.08 33.73 82.82 16.78 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 45 32.48 80.90 13.85 32.20 80.10 14.38 31.67 79.75 11.89 30.81 79.80 11.01 32.35 81.01 12.41 33.74 81.14 11.79 2 0 1000.00-999 ?-999 ?-999 ? mGLN.B 46 32.08 78.61 12.46 32.78 78.75 13.16 32.07 76.85 10.73 31.36 76.19 9.97 31.56 77.30 12.10 30.02 77.31 12.08 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 47 33.32 77.19 10.44 33.81 77.70 11.15 35.28 76.19 9.19 36.07 76.43 10.09 33.90 76.83 9.15 33.97 78.07 8.23 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 48 35.54 75.37 8.18 34.78 75.26 7.54 37.56 75.40 6.90 36.96 75.66 5.86 36.83 74.70 8.04 36.63 73.24 7.64 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 49 38.84 75.71 7.09 39.20 75.48 7.99 40.71 75.39 5.57 41.61 75.05 6.33 39.61 76.33 6.03 40.19 77.68 6.47 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 50 40.61 74.97 4.32 39.81 75.33 3.83 42.65 74.80 2.95 42.36 75.60 2.07 41.57 74.06 3.74 40.84 73.09 2.80 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 51 43.91 74.54 3.28 44.03 73.89 4.03 45.71 74.08 1.78 46.17 73.11 2.36 45.01 75.17 2.57 46.03 75.82 3.52 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 52 45.76 74.24 0.47 45.34 75.07 0.11 47.78 73.74 -0.78 47.93 74.90 -1.18 46.42 73.23 -0.35 45.56 72.89 -1.59 3 0 1000.00-999 ?-999 ?-999 ? mPHE.B 53 48.79 72.88 -0.69 48.53 71.97 -0.36 50.56 72.94 -2.47 50.22 71.89 -3.02 50.15 73.25 -1.04 51.14 72.60 -0.08 3 0 1000.00-999 ?-999 ?-999 ? mGLN.B 54 51.29 73.87 -3.06 51.46 74.68 -2.49 53.22 74.31 -4.41 53.42 75.49 -4.15 51.81 73.72 -4.41 50.89 74.44 -5.41 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 55 54.21 73.45 -4.69 53.89 72.52 -4.88 55.89 75.13 -5.50 55.48 75.26 -6.65 55.62 73.85 -4.72 56.48 72.73 -5.29 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 56 56.57 76.07 -4.86 56.82 75.84 -3.92 55.79 78.32 -5.70 55.89 79.22 -6.54 56.92 77.33 -5.51-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.B 57 54.72 78.19 -4.94 54.75 77.43 -4.28 52.85 79.39 -3.79 52.95 78.65 -2.81 53.61 79.11 -5.08 52.63 78.56 -6.12 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 58 52.11 80.49 -3.79 52.17 81.04 -4.63 50.20 79.75 -2.62 49.71 79.32 -3.66 51.28 80.84 -2.65 50.65 82.22 -2.86 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 59 49.84 79.28 -1.42 50.31 79.67 -0.63 47.40 78.79 -1.43 47.13 79.91 -0.99 48.82 78.24 -1.35 49.10 77.58 -0.02 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 60 46.50 77.99 -1.99 46.87 77.13 -2.33 44.37 77.91 -0.84 44.60 76.81 -0.34 45.11 78.38 -2.09 44.46 77.74 -3.33 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 61 43.51 78.78 -0.31 43.46 79.66 -0.78 41.29 78.32 0.34 40.89 79.05 -0.56 42.72 78.43 0.85 42.79 79.50 1.94 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 62 40.53 77.40 0.92 40.98 76.90 1.65 38.28 76.94 1.73 38.57 76.06 2.53 39.15 77.18 0.51 39.08 75.93 -0.37 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 63 37.22 77.73 1.90 37.08 78.43 1.20 35.31 76.45 2.85 34.88 76.18 1.72 36.35 77.54 3.06 35.72 78.92 3.24 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 64 34.93 75.80 3.95 35.39 76.12 4.77 33.13 74.88 5.23 33.70 75.17 6.28 33.93 74.74 3.95 34.58 73.35 3.98 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 65 31.82 74.71 5.15 31.45 74.52 4.24 30.55 73.39 6.75 29.87 73.22 7.75 31.01 74.79 6.36 29.81 75.71 6.16 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 66 30.98 72.40 5.97 31.57 72.70 5.23 31.83 70.11 6.31 32.68 70.07 5.42 30.60 71.02 6.20 29.71 70.55 5.04 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 67 31.90 69.36 7.41 31.12 69.49 8.03 33.13 67.36 6.59 34.23 66.95 6.23 33.00 68.46 7.67 32.83 67.84 9.09 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 68 31.99 66.91 6.06 31.17 67.33 6.44 32.57 66.40 3.70 33.31 65.69 3.02 31.98 65.88 5.01 30.55 65.37 4.76 2 0 1000.00-999 ?-999 ?-999 ? mMETB 69 32.24 67.64 3.36 31.63 68.09 4.01 34.25 68.34 2.13 34.89 67.91 1.17 32.74 68.28 2.15 32.22 69.72 2.05 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 70 34.82 68.90 3.19 34.17 69.21 3.89 36.95 67.69 3.45 38.01 67.47 2.86 36.25 69.04 3.31 36.60 69.99 4.49 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 71 36.36 66.76 4.20 35.51 67.05 4.63 37.11 64.81 2.96 38.11 64.16 2.68 36.95 65.44 4.34 36.07 64.53 5.20 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 72 36.11 65.00 2.11 35.35 65.54 2.49 37.22 65.15 -0.07 37.98 64.50 -0.79 36.13 64.47 0.75 34.77 64.71 0.04 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 73 37.28 66.47 0.03 36.59 66.88 0.63 39.67 66.77 -0.26 40.57 66.62 -1.10 38.28 67.22 -0.70 38.09 68.72 -0.44 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 74 39.86 66.54 1.03 39.06 66.70 1.61 41.47 64.69 0.97 42.57 64.45 0.47 41.15 66.09 1.51 41.20 66.07 3.06 3 0 1000.00-999 ?-999 ?-999 ? mPHE~B 75 40.51 63.78 1.05 39.65 64.10 1.46 41.23 62.36 -0.89 42.19 61.66 -1.19 40.73 62.42 0.56 39.44 61.60 0.65 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 76 40.56 63.09 -1.77 39.81 63.62 -1.37 42.24 63.75 -3.46 42.90 63.42 -4.44 40.89 63.11 -3.18 39.78 63.82 -3.96 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 77 42.63 64.69 -2.61 41.97 64.88 -1.88 45.01 64.35 -2.39 46.05 64.31 -3.05 43.91 65.36 -2.72 43.96 66.51 -1.73 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 78 44.76 63.55 -1.36 43.88 63.69 -0.92 45.82 61.40 -1.93 46.88 60.81 -2.12 45.73 62.54 -0.93 45.36 61.97 0.44 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 79 44.70 61.09 -2.57 43.91 61.66 -2.34 45.63 60.22 -4.68 46.13 59.27 -5.29 44.67 59.99 -3.52 43.24 59.80 -4.03 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 80 45.91 61.49 -4.97 45.44 62.16 -4.39 48.26 61.65 -5.57 48.96 62.67 -5.41 46.83 61.84 -6.04 46.61 63.29 -6.46 3 0 1000.00-999 ?-999 ?-999 ?