HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-05 2FDO COMPND HYPOTHETICAL PROTEIN AF2331; COMPND 3 CHAIN: B, A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 STRAIN: DSM 4304; SOURCE 5 GENE: AF2331; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: P11 AUTHOR S.WANG,O.KIRILLOVA,M.CHRUSZCZ,M.T.CYMBOROWSKI,T.SKARINA, AUTHOR 2 E.GORODICHTCHENSKAIA,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,W.MINOR, AUTHOR 3 MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE B 1 8 HET MSE B 42 5 HET MSE B 70 8 HET MSE B 71 8 HET MSE A 1 8 HET MSE A 42 8 HET MSE A 70 8 HET MSE A 71 8 mHIS.B 0 18.42 12.79 51.57 17.96 11.93 51.37 20.52 12.25 50.30 19.99 11.31 49.76 19.86 12.98 51.45 20.56 12.57 52.74 3 0 1000.00-999 ?-999 ?-999 ? mMETB 1 21.73 12.68 49.98 22.04 13.45 50.53 23.16 10.74 49.27 23.44 10.46 50.43 22.51 12.09 48.93 23.57 13.10 48.54 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 2 23.43 9.91 48.23 23.04 10.20 47.36 25.58 8.89 48.94 26.08 10.00 49.01 24.21 8.69 48.36 24.37 8.22 46.91 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 3 26.19 7.79 49.34 25.61 6.98 49.38 28.54 7.75 48.47 28.32 7.00 47.49 27.59 7.78 49.70 27.90 6.63 50.64 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 4 29.58 8.58 48.58 29.55 9.14 49.41 31.89 8.40 48.44 32.33 9.22 49.26 30.65 8.70 47.65 30.71 10.14 47.08 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 5 32.45 7.21 48.21 31.92 6.65 47.58 34.75 6.55 47.74 34.50 5.84 46.76 33.70 6.78 48.81 33.52 5.46 49.59 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 6 35.93 7.14 47.93 36.06 7.57 48.82 38.21 6.49 47.39 38.68 6.76 48.48 36.95 7.15 46.92 37.33 8.57 46.47 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 7 38.78 5.66 46.52 38.19 5.35 45.77 40.98 6.50 46.60 40.52 7.51 46.08 40.13 5.23 46.67 40.47 4.30 45.53 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 8 42.20 6.47 47.13 42.42 5.60 47.57 43.34 8.15 45.63 43.26 9.36 45.42 43.11 7.62 47.06 44.45 7.30 47.73 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 9 43.63 7.26 44.67 43.75 6.32 45.00 42.45 8.23 42.65 42.52 9.19 41.89 43.73 7.64 43.26 44.29 6.51 42.38 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 10 41.29 7.66 42.97 41.34 6.88 43.59 39.74 9.51 43.10 39.10 10.36 42.50 40.06 8.20 42.42 38.87 7.26 42.56 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 11 40.19 9.67 44.33 40.63 8.87 44.74 40.85 12.06 44.33 40.38 13.18 44.11 40.00 10.96 44.99 40.31 10.88 46.46 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 12 42.10 11.71 43.98 42.38 10.81 44.31 42.34 12.98 41.82 42.32 14.13 41.44 42.96 12.64 43.16 44.39 12.11 43.01 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 13 41.76 11.99 41.16 41.81 11.10 41.60 39.92 13.15 40.06 39.79 14.08 39.33 41.11 12.24 39.90 40.68 10.95 39.19 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 14 39.08 12.88 41.04 39.32 12.06 41.55 38.26 15.15 41.56 37.57 16.03 41.03 37.92 13.69 41.37 37.29 13.19 42.65 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 15 39.29 15.41 42.38 39.65 14.61 42.87 40.30 17.39 41.19 39.97 18.57 40.91 39.84 16.76 42.53 40.99 16.75 43.52 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 16 41.04 16.63 40.37 41.20 15.69 40.68 40.42 17.60 38.25 40.49 18.64 37.60 41.58 17.15 39.14 42.45 16.10 38.43 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 17 39.36 16.79 38.23 39.47 15.95 38.75 37.42 18.33 38.03 36.73 18.98 37.26 38.16 17.10 37.50-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~B 18 37.54 18.66 39.32 38.26 18.17 39.82 37.36 20.96 40.15 36.74 21.94 40.53 36.65 19.66 39.91 35.88 19.15 41.16 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 19 38.65 21.00 39.87 39.03 20.15 39.50 39.49 23.01 38.82 40.26 22.65 37.87 39.40 22.21 40.10 40.79 21.92 40.71 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 20 38.71 24.10 38.78 38.13 24.18 39.59 40.07 25.74 37.59 40.82 25.71 38.60 38.70 25.08 37.65 37.56 26.12 37.79 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 21 40.42 26.31 36.44 39.69 26.34 35.75 42.19 27.92 37.29 43.24 27.78 37.96 41.77 26.83 36.24 41.94 27.31 34.79 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 22 41.38 28.96 37.45 40.52 28.94 36.94 41.24 29.96 39.75 41.03 31.00 40.36 41.76 30.05 38.31 41.26 31.35 37.69 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 23 41.01 28.76 40.31 41.19 27.96 39.73 41.61 28.49 42.76 42.71 28.02 42.44 40.53 28.73 41.70 39.33 27.77 41.96 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 24 41.29 28.86 44.01 40.47 29.42 44.07 41.18 27.64 46.06 39.97 27.66 45.86 42.08 28.45 45.18 42.64 29.65 45.94 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 25 41.74 26.88 47.00 42.74 26.92 47.04 41.02 26.61 49.33 42.11 26.69 49.92 40.94 26.05 47.88 41.37 24.57 47.87 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 26 39.89 27.04 49.88 39.13 27.12 49.23 39.43 26.05 51.99 38.50 25.32 51.60 39.77 27.36 51.27 38.64 28.33 51.47 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 27 40.25 25.75 53.01 40.92 26.46 53.21 39.85 24.86 55.18 40.49 25.72 55.75 40.18 24.50 53.75 41.50 23.74 53.71 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 28 38.86 24.22 55.78 38.33 23.59 55.22 38.60 23.11 57.88 37.92 22.18 57.47 38.60 24.45 57.17 37.26 25.10 57.34 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 29 39.33 23.01 58.97 39.96 23.76 59.13 38.43 22.29 61.12 38.46 21.58 62.09 39.18 21.86 59.84 40.55 21.28 60.15 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 30 37.73 23.42 61.09 37.70 23.85 60.18 35.66 23.39 62.43 34.65 23.99 62.02 37.07 23.98 62.28 37.04 25.52 62.17 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 31 35.57 22.19 62.98 36.44 21.79 63.27 33.54 22.12 64.29 33.99 21.98 65.42 34.28 21.53 63.11 34.42 20.05 63.34 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 32 32.42 22.78 64.06 32.12 22.81 63.10 30.60 22.56 65.74 30.03 22.91 66.75 31.71 23.43 65.15 31.12 24.80 64.72 2 0 1000.00-999 ?-999 ?-999 ? mASP^B 33 30.26 21.45 65.07 30.76 21.32 64.22 29.33 19.29 64.75 29.74 19.34 63.60 29.26 20.52 65.57 27.86 21.07 65.43 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 34 28.96 18.17 65.34 28.70 18.28 66.29 27.96 15.99 65.40 28.00 15.93 66.61 28.93 16.90 64.66 30.30 16.27 64.67 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 35 27.10 15.27 64.68 27.21 15.39 63.69 25.51 13.52 64.19 25.83 13.69 63.02 26.10 14.39 65.28 24.97 15.21 65.88 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 36 24.60 12.63 64.59 24.46 12.64 65.58 22.42 11.95 63.87 21.96 12.28 64.94 23.89 11.71 63.70 24.16 10.24 64.06 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 37 21.67 11.80 62.78 22.18 11.59 61.95 19.64 10.90 61.95 20.31 10.45 60.98 20.22 11.94 62.85 19.77 13.30 62.32 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 38 18.40 10.56 62.23 18.01 11.02 63.03 16.66 10.34 60.56 16.24 11.44 60.92 17.66 9.61 61.44 16.91 8.69 62.41 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 39 16.27 9.72 59.44 16.81 8.91 59.23 14.46 9.05 57.89 15.09 8.14 57.41 15.16 10.20 58.60 15.59 11.28 57.57 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 40 13.13 9.07 57.86 12.71 9.81 58.40 12.57 8.35 55.61 12.82 9.49 55.18 12.37 8.10 57.10 10.89 8.17 57.46 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 41 12.51 7.27 54.84 12.38 6.42 55.35 11.54 6.40 52.81 10.77 5.84 53.58 12.62 7.33 53.38 14.04 6.97 52.94 2 0 1000.00-999 ?-999 ?-999 ? mMETB 42 11.45 6.22 51.49 12.10 6.73 50.93 10.88 3.86 51.14 10.23 2.91 50.69 10.40 5.31 50.98 9.98 5.62 49.54 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 43 12.03 3.70 51.79 12.46 4.56 52.07 13.07 2.30 53.51 14.14 1.75 53.80 12.63 2.39 52.06 13.80 2.03 51.06 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 44 12.26 2.85 54.41 11.49 3.33 54.00 13.47 3.78 56.39 13.99 4.58 55.64 12.50 2.74 55.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.B 45 13.70 3.75 57.70 13.22 3.00 58.16 16.06 4.58 58.11 16.57 3.47 58.00 14.56 4.72 58.41 14.34 4.59 59.92 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 46 16.75 5.71 57.98 16.18 6.54 58.05 18.91 6.73 58.71 18.28 7.61 59.33 18.21 5.74 57.78 18.59 6.07 56.32 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 47 20.23 6.59 58.80 20.60 5.85 58.25 22.16 8.19 58.84 22.82 7.60 57.98 21.03 7.46 59.63 21.59 6.61 60.74 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 48 22.33 9.49 59.13 21.71 9.83 59.84 24.17 11.00 59.58 23.70 11.24 60.70 23.32 10.33 58.51 22.66 11.33 57.55 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 49 25.44 11.25 59.25 25.75 10.84 58.39 26.25 13.48 59.54 26.20 13.68 58.33 26.27 12.08 60.09 27.72 11.64 60.08 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 50 26.32 14.43 60.46 26.44 14.11 61.40 27.47 16.47 60.68 27.76 16.38 61.88 26.24 15.82 60.12 24.94 16.39 60.70 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 51 28.23 17.11 59.81 27.89 17.13 58.87 29.41 19.18 59.76 29.15 19.43 58.58 29.46 17.74 60.26 30.63 17.03 59.71 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 52 29.62 20.10 60.68 29.89 19.75 61.58 30.83 22.14 60.59 31.52 21.87 61.59 29.47 21.49 60.41 28.47 22.13 61.41 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 53 31.18 23.03 59.67 30.46 23.23 59.01 32.25 25.11 59.54 31.27 25.53 58.89 32.47 23.66 59.65 33.34 23.23 58.42 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 54 33.17 25.84 60.17 33.86 25.27 60.62 34.40 27.78 59.42 35.46 27.13 59.34 33.23 27.29 60.24 33.46 27.73 61.66 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 55 34.25 28.95 58.85 33.33 29.34 58.87 35.19 31.10 58.02 34.06 31.56 57.76 35.42 29.57 58.24 35.91 28.79 57.01 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 56 36.26 31.89 58.21 37.15 31.46 58.30 35.47 33.83 56.93 35.87 33.34 55.88 35.99 33.33 58.27 37.33 33.94 58.63 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 57 34.53 34.76 56.98 34.26 35.01 57.91 34.85 36.42 55.16 34.69 36.72 54.00 33.96 35.36 55.78 32.58 35.97 56.08 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 58 35.78 36.97 55.95 35.83 36.50 56.83 37.59 37.86 54.42 38.27 38.78 53.91 36.62 38.16 55.59 37.46 38.60 56.79 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 59 37.69 36.57 54.04 37.12 35.94 54.55 37.85 36.25 51.61 38.48 36.28 50.56 38.57 36.16 52.95 39.24 34.80 53.20 3 0 1000.00-999 ?-999 ?-999 ? mPHE.B 60 36.53 36.34 51.68 36.15 36.26 52.60 35.39 37.99 50.28 34.97 38.65 51.19 35.73 36.54 50.49 34.42 35.79 50.64 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 61 35.60 38.48 49.07 36.29 37.99 48.53 33.69 39.06 47.84 33.70 38.92 46.62 34.88 39.65 48.60 35.76 40.52 47.69 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 62 32.69 38.65 48.61 32.79 38.89 49.57 30.43 37.92 49.14 30.71 37.82 50.34 31.54 37.90 48.09 31.94 36.45 47.79 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 63 29.18 38.05 48.69 29.08 38.24 47.72 27.65 36.44 49.89 28.22 35.49 49.29 28.06 37.91 49.64 26.86 38.81 49.27 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 64 26.68 36.27 50.79 26.22 37.13 51.01 25.85 33.98 50.35 26.30 32.84 50.35 26.32 34.99 51.38 25.24 35.22 52.44 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 65 24.94 34.40 49.46 24.68 35.36 49.58 25.47 33.16 47.38 25.44 32.07 46.84 24.40 33.53 48.42 23.17 34.17 47.77 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 66 26.42 34.07 47.11 26.23 34.97 47.51 28.44 32.68 46.97 28.80 31.70 46.30 27.61 33.78 46.32 28.47 35.04 46.09 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 67 28.75 32.80 48.27 28.43 33.64 48.71 28.69 30.42 48.95 29.27 29.34 48.85 29.50 31.74 48.93 30.03 32.12 50.34 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 68 27.37 30.54 49.04 27.05 31.48 49.15 26.60 28.66 47.65 26.61 27.45 47.59 26.48 29.36 48.98 25.01 29.75 49.20 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 69 26.76 29.45 46.61 26.87 30.41 46.86 28.07 28.27 44.88 28.11 27.42 43.98 26.77 28.96 45.24 26.54 30.13 44.29 2 0 1000.00-999 ?-999 ?-999 ? mMETB 70 29.14 28.66 45.58 28.95 29.39 46.24 30.49 26.57 45.69 29.87 26.08 46.60 30.44 28.07 45.40 31.44 28.78 46.27 2 0 1000.00-999 ?-999 ?-999 ? mMETB 71 31.22 25.87 44.85 31.57 26.44 44.11 32.26 24.13 46.26 33.40 24.61 46.47 31.49 24.45 44.96 32.32 24.09 43.74 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 72 31.65 23.30 47.10 30.76 22.98 46.79 31.90 21.49 48.74 30.85 21.00 48.34 32.23 22.91 48.37 31.73 23.85 49.51 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 73 32.76 20.86 49.56 33.49 21.46 49.89 33.21 19.33 51.33 34.14 20.07 51.73 32.69 19.46 49.93 33.58 18.55 49.06 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 74 32.64 18.38 52.05 31.72 18.13 51.75 34.03 16.46 52.77 33.51 15.60 51.99 33.32 17.75 53.19 32.35 17.44 54.32 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 75 35.17 16.29 53.40 35.43 17.02 54.03 36.43 14.61 54.52 36.81 15.37 55.44 35.98 15.13 53.20 37.22 15.44 52.26 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 76 36.42 13.28 54.58 36.17 12.87 53.70 37.68 11.38 55.28 37.44 10.74 54.28 36.73 12.48 55.76 35.44 11.82 56.36 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 77 38.77 11.23 56.01 38.85 11.90 56.75 39.47 9.07 56.71 39.49 9.21 57.91 39.76 10.23 55.80 41.14 10.81 56.06 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 78 39.15 7.93 56.10 39.32 7.94 55.11 39.52 5.60 56.47 39.61 5.19 55.30 38.62 6.78 56.80 37.20 6.43 56.26 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 79 40.20 5.07 57.48 40.20 5.62 58.32 39.92 2.71 56.87 38.75 2.70 57.28 40.89 3.80 57.35 41.46 3.38 58.70 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 80 40.41 1.80 56.04 41.38 1.92 55.85 38.92 -0.27 56.49 37.79 -0.71 56.26 39.57 0.72 55.49 40.29 -0.06 54.37 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 81 39.63 -0.63 57.56 40.59 -0.38 57.48 37.76 -0.69 59.33 37.00 -1.35 60.02 39.04 -1.33 58.73 40.09 -1.42 59.84 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 82 37.52 0.59 59.06 38.17 1.02 58.44 35.15 1.39 58.73 34.19 2.09 59.05 36.38 1.27 59.65 36.81 2.63 60.25 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 83 35.16 0.68 57.60 36.02 0.19 57.44 33.11 -0.58 57.03 33.60 -1.62 57.47 34.00 0.63 56.70 34.46 0.52 55.23 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 84 31.82 -0.46 56.78 31.50 0.49 56.68 31.19 -2.34 55.31 31.97 -1.87 54.44 30.95 -1.62 56.66 29.50 -1.14 56.67 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 85 30.50 -3.46 55.12 30.07 -3.82 55.95 29.83 -3.07 52.82 30.32 -2.95 51.69 30.38 -4.10 53.81 29.51 -5.37 53.88 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 86 28.84 -2.30 53.25 28.56 -2.44 54.20 29.24 -0.27 51.92 29.24 0.13 50.75 28.24 -1.32 52.36 27.02 -0.70 52.99 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 87 30.10 0.16 52.87 29.96 -0.27 53.76 32.24 0.63 51.72 32.82 1.39 50.96 31.14 1.15 52.63-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~B 88 32.50 -0.67 51.82 32.01 -1.13 52.56 32.86 -1.48 49.50 33.58 -1.24 48.53 33.43 -1.36 50.92 33.80 -2.73 51.47 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 89 31.58 -1.84 49.38 31.14 -2.07 50.25 30.96 -0.58 47.31 30.85 -0.58 46.09 30.92 -1.90 48.06 29.43 -2.26 48.18 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 90 31.07 0.52 48.04 31.29 0.35 49.00 32.17 2.48 46.96 32.13 3.55 46.33 30.88 1.85 47.47 30.18 2.79 48.51 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 91 33.30 1.85 47.24 33.19 0.94 47.64 34.79 2.60 45.48 34.71 1.62 44.78 34.59 2.48 46.98 35.78 1.67 47.55 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 92 35.03 3.83 45.01 34.91 4.56 45.69 36.91 3.85 43.52 37.67 4.52 44.18 35.42 4.08 43.64 35.07 5.53 43.26 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 0 37.74 30.09 67.44 37.67 30.20 68.44 39.24 29.91 65.33 40.10 30.75 65.61 37.84 29.92 65.94 36.95 30.90 65.16 3 0 1000.00-999 ?-999 ?-999 ? mMETA 1 39.47 28.98 64.43 38.72 28.34 64.28 40.89 29.96 62.63 39.89 30.37 62.05 40.76 28.94 63.75 41.03 27.55 63.23 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 2 42.13 30.35 62.30 42.89 29.95 62.81 41.94 30.65 59.91 41.70 29.43 59.88 42.30 31.33 61.23 43.79 31.64 61.29 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 3 41.90 31.41 58.82 42.10 32.38 58.99 42.80 30.17 56.89 43.90 30.73 56.96 41.58 30.84 57.51 41.08 31.94 56.59 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 4 42.58 29.00 56.28 41.66 28.65 56.45 43.22 28.32 53.97 42.17 27.82 53.56 43.60 28.29 55.44 43.90 26.87 55.98 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 5 44.06 28.99 53.19 44.87 29.32 53.67 45.05 28.71 51.03 46.17 29.15 51.30 43.82 29.22 51.78 43.57 30.74 51.44 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 6 44.82 27.77 50.12 43.85 27.56 50.01 45.65 27.32 47.87 44.53 27.24 47.37 45.84 27.09 49.35 45.69 25.58 49.56 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 7 46.74 27.57 47.15 47.53 27.86 47.69 46.52 25.94 45.33 46.62 25.07 46.17 46.76 27.42 45.70 48.13 27.82 45.16 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 8 46.24 25.68 44.06 46.23 26.47 43.46 47.08 23.31 43.98 46.81 22.23 44.51 45.97 24.30 43.63 45.65 24.24 42.13 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 9 48.31 23.71 43.70 48.37 24.62 43.28 49.76 22.66 45.46 50.04 21.52 45.84 49.47 22.90 43.99 50.68 23.44 43.28 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 10 49.67 23.70 46.29 49.51 24.57 45.83 48.69 22.66 48.34 48.92 21.87 49.24 49.79 23.54 47.74 49.75 24.91 48.40 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 11 47.48 22.85 47.84 47.40 23.59 47.17 46.56 20.55 47.98 46.32 19.71 48.87 46.36 22.05 48.26 45.10 22.48 47.56 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 12 46.98 20.24 46.75 47.04 20.99 46.10 48.46 18.33 47.29 48.35 17.20 47.79 47.32 18.88 46.42 47.62 18.72 44.93 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 13 49.53 19.10 47.51 49.53 19.97 47.01 50.06 18.38 49.85 50.35 17.36 50.47 50.59 18.63 48.43 51.83 19.53 48.43 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 14 49.21 19.28 50.32 49.02 20.07 49.73 47.84 17.81 51.72 48.08 17.05 52.64 48.61 19.11 51.60 47.69 20.26 51.88 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 15 46.89 17.55 50.83 46.73 18.27 50.15 47.05 15.01 50.74 46.73 13.97 51.28 46.18 16.28 50.88 45.15 16.22 49.79 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 16 48.12 15.09 50.00 48.28 15.98 49.57 49.48 13.46 51.19 49.62 12.26 51.42 48.98 13.94 49.84 50.15 14.29 48.91 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 17 49.76 14.41 52.06 49.61 15.34 51.72 49.24 13.35 54.23 49.60 12.88 55.30 50.24 14.11 53.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mHIS~A 18 48.00 13.22 53.76 47.85 13.65 52.87 46.66 11.14 53.90 45.98 10.31 54.51 46.97 12.51 54.51 45.67 13.29 54.51 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 19 47.13 10.92 52.69 47.70 11.66 52.32 47.90 8.65 52.19 48.25 7.86 51.31 46.82 9.71 51.96 46.63 10.05 50.48 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 20 48.41 8.64 53.41 47.95 9.25 54.06 49.17 6.32 53.96 49.86 5.43 53.44 49.55 7.80 53.76 50.26 8.35 55.00 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 21 48.08 6.06 54.71 47.53 6.87 54.92 46.76 3.91 54.25 46.64 4.23 53.04 47.77 4.68 55.17 47.42 4.64 56.69 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 22 46.09 2.88 54.80 46.34 2.71 55.76 43.76 2.85 54.18 42.78 2.43 54.82 45.08 2.08 54.07 45.01 0.64 54.65 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 23 43.77 4.02 53.57 44.51 4.13 52.91 41.92 5.24 52.62 42.45 5.28 51.51 42.77 5.03 53.86 43.47 6.35 54.33 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 24 40.61 5.33 52.79 40.29 4.98 53.68 39.26 7.33 52.12 39.54 7.82 53.19 39.74 5.89 51.75 38.57 4.92 51.38 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 25 38.59 8.02 51.20 38.42 7.54 50.34 36.67 9.36 51.24 36.23 9.05 50.12 38.15 9.38 51.47 38.76 10.44 50.51 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 26 35.90 9.66 52.29 36.39 9.68 53.16 34.25 11.40 51.76 34.74 12.34 52.41 34.49 9.93 52.16 33.76 9.51 53.45 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 27 33.55 11.61 50.65 33.24 10.78 50.21 31.79 13.25 50.15 31.00 12.38 49.70 33.28 12.97 50.16 33.76 13.14 48.72 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 28 31.40 14.45 50.63 32.14 15.04 50.96 29.88 16.24 50.06 30.58 17.13 50.50 30.01 14.86 50.65 29.51 14.88 52.07 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 29 29.01 16.41 49.04 28.72 15.57 48.58 27.09 18.06 49.15 26.47 19.01 48.70 28.54 17.77 48.68 28.70 18.04 47.18 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 30 26.56 17.22 50.04 27.20 16.51 50.34 25.20 18.33 51.67 25.31 17.96 52.83 25.18 17.32 50.52 24.78 15.94 51.00 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 31 25.14 19.61 51.31 25.20 19.74 50.32 23.60 20.83 52.76 22.70 21.16 52.04 25.01 20.71 52.25 25.45 22.05 51.62 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 32 23.40 20.56 54.02 24.24 20.32 54.52 21.77 21.99 55.15 20.61 22.33 55.36 22.08 20.60 54.61 21.98 19.62 55.81 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 33 22.82 22.77 55.41 23.71 22.35 55.24 23.86 25.00 55.60 25.02 24.56 55.69 22.64 24.12 55.90 22.28 24.10 57.38 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 34 23.58 26.22 55.14 22.61 26.39 55.00 24.18 28.60 55.26 23.15 29.06 54.82 24.63 27.19 54.87 25.13 27.20 53.42 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 35 24.98 29.28 56.07 25.75 28.76 56.42 25.99 31.42 56.88 26.99 30.78 57.19 24.72 30.68 56.41 23.66 30.75 57.53 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 36 25.90 32.76 56.90 25.10 33.10 56.40 26.23 34.11 58.87 25.04 34.41 58.92 26.84 33.67 57.57 27.05 34.94 56.77 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 37 27.05 34.17 59.91 28.00 33.95 59.68 27.73 35.38 61.87 28.90 35.19 61.58 26.63 34.51 61.24 26.34 33.22 62.05 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 38 27.35 36.36 62.67 26.36 36.44 62.78 28.82 36.61 64.58 28.05 36.04 65.31 28.31 37.25 63.31 27.63 38.55 63.74 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 39 30.10 36.74 64.85 30.65 37.12 64.11 31.17 37.57 66.86 31.84 38.42 66.27 30.64 36.35 66.15 31.72 35.26 66.02 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 40 30.86 37.67 68.14 30.33 36.91 68.50 32.34 38.49 69.96 32.33 37.40 70.54 31.28 38.83 68.91 30.06 39.57 69.54 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 41 33.24 39.44 70.18 33.18 40.21 69.54 34.47 40.78 71.78 33.90 41.76 71.28 34.24 39.38 71.25 35.56 38.84 70.73 2 0 1000.00-999 ?-999 ?-999 ? mMETA 42 35.33 40.88 72.79 35.71 39.99 73.06 36.19 43.22 72.44 35.94 44.41 72.64 35.70 42.13 73.44 36.72 41.80 74.54 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 43 36.83 42.80 71.35 36.92 41.80 71.30 36.52 43.83 69.02 37.08 44.10 67.94 37.36 43.72 70.33 38.85 43.38 69.97 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 44 35.20 43.60 69.11 34.91 43.27 70.01 33.72 42.59 67.29 33.95 41.46 67.71 34.28 43.83 67.99-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 45 32.99 42.79 66.19 32.94 43.74 65.89 33.04 41.18 64.25 33.63 41.97 63.54 32.35 41.66 65.53 30.89 41.97 65.27 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 46 32.95 39.87 64.00 32.39 39.39 64.67 32.50 38.25 62.28 31.74 37.58 63.01 33.57 39.19 62.88 34.74 38.36 63.42 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 47 32.40 38.20 60.96 32.97 38.87 60.47 32.19 35.92 59.98 33.27 35.92 59.44 31.52 37.23 60.32 30.95 37.79 59.04 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 48 31.52 34.82 60.31 30.72 35.04 60.87 30.82 32.82 58.98 29.62 33.04 59.15 31.87 33.46 59.92 32.04 32.62 61.17 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 49 31.26 32.06 57.97 32.23 32.20 57.76 30.30 29.76 58.00 31.27 29.31 58.59 30.37 31.11 57.27 30.82 30.86 55.85 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 50 29.15 29.12 57.94 28.44 29.60 57.43 28.33 26.96 57.51 27.36 27.37 56.85 28.96 27.85 58.57 28.06 28.00 59.79 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 51 28.92 25.78 57.30 29.67 25.58 57.93 28.34 23.53 56.91 29.28 23.00 57.48 28.51 24.87 56.26 29.57 24.79 55.17 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 52 27.13 22.98 56.86 26.44 23.54 56.41 26.65 20.64 56.32 25.87 20.88 55.40 26.85 21.66 57.42 25.61 21.70 58.31 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 53 27.37 19.53 56.42 27.95 19.52 57.24 26.83 17.15 56.12 27.16 16.89 57.29 27.32 18.44 55.44 28.69 18.17 54.80 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 54 26.04 16.40 55.37 25.83 16.82 54.48 26.24 14.05 54.95 26.59 14.26 53.80 25.50 15.12 55.74 24.03 15.08 55.38 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 55 26.48 12.91 55.57 26.34 12.95 56.56 26.44 10.46 55.51 26.27 10.44 56.74 26.93 11.72 54.84 28.44 11.66 54.65 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 56 26.16 9.41 54.71 26.45 9.46 53.75 26.31 7.60 56.32 27.50 7.46 56.10 25.44 8.29 55.31 25.12 7.37 54.12 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 57 25.70 7.24 57.43 24.74 7.53 57.48 26.56 4.99 58.14 27.50 4.37 58.63 26.37 6.47 58.49 25.61 6.60 59.79 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 58 25.68 4.41 57.33 25.00 5.01 56.90 26.98 2.45 56.35 27.14 1.25 56.19 25.76 2.96 57.12 24.44 2.34 56.60 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 59 27.86 3.36 55.92 27.59 4.31 56.09 30.21 2.68 56.32 31.25 2.07 56.02 29.10 2.95 55.27 29.58 3.98 54.20 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 60 29.94 3.10 57.54 29.03 3.50 57.66 30.66 1.76 59.48 29.52 1.35 59.70 30.91 2.97 58.61 30.87 4.21 59.49 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 61 31.75 1.19 59.99 32.60 1.54 59.60 32.33 0.85 62.19 33.47 0.55 62.56 31.69 0.16 61.00 32.52 -1.05 60.56 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 62 31.59 1.78 62.78 30.64 1.80 62.49 31.03 3.43 64.48 30.05 3.80 63.85 32.15 2.69 63.76 33.09 3.70 63.06 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 63 31.17 3.69 65.79 31.97 3.29 66.23 30.35 6.01 66.19 31.23 6.41 65.43 30.17 4.50 66.46 30.00 4.15 67.96 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 64 29.48 6.82 66.76 28.85 6.35 67.39 30.75 9.00 66.94 31.21 9.92 66.24 29.45 8.27 66.51 28.23 8.88 67.19 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 65 31.31 8.59 68.08 30.81 7.84 68.52 33.75 8.83 67.77 34.64 9.67 67.60 32.53 9.17 68.63 32.72 8.74 70.08 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 66 33.78 7.62 67.22 33.05 7.01 67.53 34.76 8.03 64.94 35.79 8.48 64.45 34.82 7.24 66.26 34.82 5.73 66.02 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 67 33.59 8.19 64.35 32.83 7.68 64.76 33.85 10.54 63.60 34.56 11.22 62.84 33.47 9.08 63.20 32.07 8.95 62.50 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 68 33.44 10.99 64.79 32.85 10.33 65.26 35.31 12.50 65.30 35.74 13.51 64.79 33.80 12.32 65.36 33.30 12.46 66.84 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 69 36.07 11.49 65.76 35.53 10.72 66.08 38.34 11.46 64.47 39.51 11.81 64.43 37.55 11.50 65.81 38.06 10.39 66.76 2 0 1000.00-999 ?-999 ?-999 ? mMETA 70 37.71 11.04 63.38 36.75 10.77 63.52 38.67 12.39 61.54 37.91 13.33 61.78 38.38 10.99 62.10 37.53 10.21 61.10 2 0 1000.00-999 ?-999 ?-999 ? mMETA 71 39.76 12.48 60.79 40.25 11.62 60.70 39.24 14.10 59.08 38.86 13.31 58.20 40.21 13.69 60.15 41.54 13.39 59.46 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 72 38.83 15.35 59.13 39.25 15.91 59.85 38.01 17.34 57.97 38.54 18.06 58.83 37.85 15.84 58.20 36.45 15.49 58.70 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 73 37.54 17.78 56.81 37.06 17.08 56.29 36.58 19.53 55.45 36.03 18.70 54.69 37.72 19.15 56.33 38.94 19.27 55.45 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 74 36.23 20.79 55.52 36.58 21.31 56.30 36.34 21.95 53.53 37.34 22.50 53.97 35.36 21.30 54.48 34.38 22.31 55.01 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 75 36.09 21.85 52.25 35.31 21.28 52.00 36.02 23.40 50.42 34.96 22.97 50.09 36.93 22.54 51.29 37.80 21.52 50.44 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 76 36.42 24.60 50.03 37.30 24.89 50.42 36.46 25.83 47.95 37.58 26.29 48.15 35.61 25.39 49.11 35.07 26.64 49.82 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 77 35.94 25.71 46.73 35.04 25.27 46.72 36.14 27.56 45.17 34.95 27.75 44.88 36.63 26.17 45.51 36.39 25.23 44.30 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 78 37.08 28.51 45.20 38.00 28.15 45.38 37.69 30.51 43.86 38.92 30.41 43.87 36.83 29.93 44.99 37.15 30.77 46.24 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 79 37.01 31.12 42.90 36.03 30.93 42.91 38.53 32.98 42.63 38.10 33.61 43.61 37.63 31.99 41.92 36.53 32.74 41.17 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 80 39.77 33.11 42.18 40.04 32.41 41.52 39.96 35.57 42.63 40.17 36.37 43.57 40.64 34.19 42.64 41.92 34.28 41.79 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 81 39.14 35.86 41.59 39.04 35.15 40.89 37.35 37.29 42.55 36.60 38.25 42.52 38.48 37.19 41.55 37.96 37.55 40.15 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 82 37.23 36.32 43.45 37.91 35.59 43.40 36.68 36.47 45.85 35.89 36.49 46.80 36.16 36.37 44.41 35.24 35.17 44.20 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 83 38.01 36.55 45.98 38.50 36.51 45.11 38.72 38.13 47.70 38.65 39.00 46.86 38.69 36.68 47.28 40.13 36.17 47.18 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 84 38.79 38.38 49.01 38.69 37.58 49.59 40.52 40.02 49.36 41.26 39.15 48.89 39.01 39.75 49.50 38.58 39.87 50.95 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 85 40.98 41.20 49.76 40.30 41.85 50.09 43.13 40.60 50.77 44.24 40.11 50.53 42.42 41.44 49.72 42.76 42.93 49.86 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 86 42.49 40.41 51.92 41.62 40.91 51.99 43.08 38.05 52.57 44.06 37.35 52.86 43.03 39.53 52.97 42.27 39.72 54.29 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 87 42.04 37.58 51.89 41.29 38.25 51.81 43.12 35.95 50.33 43.85 34.96 50.43 42.00 36.21 51.33-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG~A 88 43.26 36.84 49.36 42.51 37.50 49.30 45.77 36.81 49.24 46.67 36.06 48.91 44.44 36.83 48.48 44.40 38.01 47.52 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 89 45.84 37.63 50.30 45.02 38.20 50.42 47.42 36.38 51.77 48.61 36.10 51.89 46.99 37.70 51.19 46.69 38.66 52.35 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 90 46.44 35.59 52.17 45.53 35.92 51.91 46.92 33.11 52.01 47.10 32.02 52.56 46.65 34.35 52.89 45.43 34.10 53.83 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 91 46.97 33.25 50.67 46.83 34.18 50.34 48.54 31.46 50.17 49.46 32.18 50.54 47.20 32.08 49.80 47.19 32.45 48.28 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 92 48.65 30.13 50.10 47.77 29.67 49.93 50.31 28.72 48.94 49.45 27.99 48.46 49.94 29.42 50.25 49.84 28.36 51.36 2 0 1000.00-999 ?-999 ?-999 ?