HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-MAR-07 2P2E COMPND PUTATIVE FE-S BIOSYNTHESIS PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PUTATIVE FE-S CLUSTER ASSEMBLY PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS SALIVARIUS; SOURCE 3 ORGANISM_TAXID: 362948; SOURCE 4 STRAIN: UCC118; SOURCE 5 GENE: LSL_1730; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODON+RIL; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PSGX3(BC) AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 58 8 HET MSE A 83 8 HET MSE A 85 8 HET MSE A 89 8 HET MSE A 111 8 mLEU.A 3 62.07 41.98 12.62 61.90 42.87 13.05 63.58 40.63 11.14 63.88 41.59 10.44 62.31 40.65 11.98 61.12 40.25 11.11 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 4 64.30 39.52 11.21 63.93 38.82 11.81 65.59 38.06 9.71 65.05 37.05 10.16 65.53 39.38 10.45 66.73 39.51 11.40 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 5 66.24 38.08 8.55 66.63 38.98 8.31 67.80 36.73 7.21 68.40 37.68 6.72 66.38 36.89 7.73 65.43 36.93 6.51 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 6 68.31 35.51 7.32 67.71 34.85 7.75 69.49 34.35 5.57 68.79 33.35 5.59 69.64 35.19 6.83 70.44 34.39 7.88 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 7 70.12 34.78 4.49 70.64 35.62 4.62 71.40 33.38 2.92 72.42 34.05 2.82 70.05 34.05 3.22 69.69 35.02 2.07 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 8 71.41 32.05 2.80 70.51 31.62 2.91 73.23 31.75 1.19 72.55 32.41 0.40 72.65 31.32 2.53 72.43 29.79 2.49 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 9 74.48 31.37 0.93 74.92 30.85 1.66 74.40 31.12 -1.53 74.15 31.81 -2.51 75.12 31.72 -0.32 76.59 31.29 -0.32 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 10 74.06 29.84 -1.46 74.31 29.38 -0.61 72.01 29.85 -2.86 71.59 29.95 -4.00 73.35 29.20 -2.57 73.14 27.72 -2.28 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 11 71.32 30.28 -1.80 71.78 30.13 -0.93 70.13 32.32 -2.52 69.32 32.73 -3.34 70.02 30.91 -1.95 69.30 30.94 -0.61 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 12 71.13 33.06 -2.07 71.71 32.62 -1.39 71.64 34.35 -4.04 71.12 35.12 -4.84 71.30 34.42 -2.56 72.42 35.11 -1.80 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 13 72.50 33.42 -4.41 72.84 32.85 -3.66 71.66 33.03 -6.67 71.55 33.62 -7.74 72.89 33.26 -5.80 73.87 32.09 -5.94 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 14 70.74 32.19 -6.20 70.95 31.80 -5.31 68.59 33.10 -7.03 67.66 33.14 -7.85 69.53 31.90 -6.96 68.79 30.72 -6.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 15 68.82 34.08 -6.16 69.59 33.91 -5.55 68.71 36.45 -6.74 68.15 37.53 -6.87 68.00 35.28 -6.11 67.65 35.63 -4.66 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 16 69.95 36.22 -7.15 70.26 35.28 -7.00 70.14 37.98 -8.92 70.15 39.21 -8.99 70.78 37.25 -7.75 72.10 36.63 -8.18 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 17 69.56 37.21 -9.84 69.61 36.23 -9.65 67.81 38.79 -10.70 67.44 39.60 -11.55 68.90 37.77 -11.03 68.29 36.65 -11.86 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 18 67.31 38.74 -9.47 67.69 38.03 -8.89 66.84 40.82 -8.23 66.52 41.98 -8.47 66.26 39.67 -9.06 65.19 38.94 -8.24 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 19 67.70 40.51 -7.27 67.89 39.54 -7.16 69.11 42.50 -7.34 69.38 43.64 -6.95 68.29 41.57 -6.46 69.20 41.02 -5.32 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 20 69.52 42.02 -8.52 69.24 41.07 -8.69 69.46 43.87 -10.16 70.00 44.77 -10.81 70.30 42.82 -9.45 71.00 41.95 -10.50 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 21 68.14 43.75 -10.06 67.83 42.96 -9.53 66.99 45.90 -9.77 66.15 45.83 -8.88 67.24 44.71 -10.69 65.89 44.07 -11.02 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 22 67.72 47.00 -9.98 68.36 46.91 -10.74 66.09 48.57 -8.98 65.70 49.12 -7.95 67.56 48.21 -9.17 68.26 49.38 -9.85 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 23 65.29 48.26 -9.99 65.75 47.79 -10.75 63.04 47.44 -9.35 61.80 47.46 -9.40 63.87 48.56 -9.99 63.40 48.79 -11.43 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 24 63.72 46.48 -8.73 64.71 46.60 -8.73 62.97 45.39 -6.59 63.93 45.81 -5.92 63.02 45.36 -8.11 63.64 44.06 -8.59 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 25 61.85 44.91 -6.06 61.19 44.61 -6.76 61.11 43.40 -4.31 60.38 42.78 -5.07 61.57 44.83 -4.64 60.45 45.83 -4.23 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 26 61.55 42.89 -3.16 62.14 43.50 -2.63 60.10 41.54 -1.68 60.11 42.35 -0.76 61.18 41.54 -2.74 62.40 40.81 -2.20 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 27 59.18 40.60 -1.81 59.29 40.00 -2.61 57.98 39.06 -0.32 58.06 38.09 -1.07 58.10 40.47 -0.86 56.78 40.85 -1.50 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 28 57.81 38.96 0.99 57.84 39.82 1.49 56.08 37.71 1.78 55.56 38.28 2.74 57.58 37.67 1.61 58.27 37.59 2.97 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 29 55.38 37.14 0.81 55.93 36.71 0.10 53.25 36.01 1.52 53.72 34.87 1.50 53.93 37.16 0.80 53.45 37.22 -0.65 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 30 52.15 36.32 2.18 51.93 37.30 2.18 50.15 35.23 1.88 49.32 36.13 1.81 51.34 35.32 2.84 50.89 35.77 4.22 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 31 50.12 34.14 1.13 50.86 33.50 1.32 47.73 33.64 0.69 47.35 32.49 0.86 49.11 33.90 0.11 49.53 32.71 -0.74 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 32 46.98 34.70 0.97 47.40 35.58 0.75 44.60 35.35 0.81 43.45 35.44 1.23 45.65 34.54 1.55 45.68 34.95 3.02 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 33 45.00 35.95 -0.31 45.96 35.82 -0.55 43.95 38.17 -0.62 43.28 38.97 -1.27 44.05 36.73 -1.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 34 44.58 38.50 0.50 45.07 37.75 0.95 45.65 40.71 0.32 46.81 40.28 0.23 44.54 39.87 0.99 44.70 39.92 2.53 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 35 45.28 41.90 -0.14 44.32 42.12 -0.02 45.99 42.94 -2.26 45.49 42.02 -2.92 46.25 42.78 -0.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~A 36 46.32 44.12 -2.80 46.71 44.78 -2.15 46.94 43.42 -5.07 46.50 43.01 -6.15 46.12 44.39 -4.22 46.51 45.83 -4.55 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 37 48.11 43.04 -4.57 48.33 43.41 -3.67 48.39 40.75 -5.53 48.74 40.06 -6.49 48.97 42.15 -5.33 50.37 42.08 -4.69 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 38 47.51 40.33 -4.64 47.31 40.95 -3.88 46.09 39.05 -6.15 45.91 38.02 -6.80 46.90 39.03 -4.83 45.97 38.72 -3.66 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 39 45.61 40.24 -6.54 45.84 40.99 -5.93 45.67 40.31 -9.02 45.15 40.32 -10.15 44.82 40.38 -7.77 44.06 41.72 -7.76 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 40 46.98 40.25 -8.82 47.26 40.28 -7.86 48.54 38.76 -9.86 48.87 38.27 -8.77 47.91 40.15 -9.93 49.04 41.21 -9.85 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 41 48.68 38.10 -11.00 48.36 38.59 -11.82 48.57 35.71 -10.21 47.63 35.98 -9.45 49.28 36.78 -11.02-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 42 49.04 34.47 -10.40 49.81 34.45 -11.04 48.32 33.40 -8.24 49.01 34.17 -7.58 48.52 33.27 -9.75 49.48 32.08 -9.98 3 0 1000.00-999 ?-999 ?-999 ? mCYH.A 43 47.38 32.63 -7.71 46.90 32.03 -8.35 46.60 31.38 -5.71 45.47 30.96 -5.97 47.10 32.69 -6.28 46.09 33.80 -5.98 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 44 47.45 30.73 -4.93 48.34 31.17 -4.83 46.70 30.01 -2.93 47.53 30.07 -2.02 47.08 29.49 -4.30 48.31 28.58 -4.22 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 45 45.45 30.42 -2.79 44.87 30.32 -3.60 44.97 30.01 -0.36 43.99 29.94 0.38 44.99 30.99 -1.53 43.61 31.60 -1.72 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 46 46.05 29.26 -0.18 46.79 29.40 -0.84 46.89 28.91 2.11 47.45 28.19 2.94 46.12 28.31 0.93 46.78 27.02 0.46 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 47 46.90 30.23 2.17 46.39 30.68 1.43 48.96 30.34 3.52 49.20 29.79 4.59 47.59 30.96 3.22 46.73 31.00 4.49 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 48 49.84 30.43 2.53 49.49 30.88 1.70 52.19 30.96 2.23 51.83 31.93 1.56 51.18 29.91 2.65 51.35 28.68 1.78 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 49 53.44 30.77 2.62 53.57 29.94 3.16 55.10 31.51 0.92 55.24 30.40 0.45 54.51 31.70 2.30 55.64 31.57 3.30 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 50 55.46 32.62 0.28 55.27 33.46 0.78 56.75 33.89 -1.29 56.40 34.90 -0.69 56.06 32.56 -1.03 55.00 32.29 -2.09 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 51 57.73 33.89 -2.18 57.93 33.00 -2.59 57.91 35.75 -3.79 57.81 35.10 -4.82 58.44 35.12 -2.52 59.94 34.89 -2.74 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 52 57.57 37.03 -3.70 57.69 37.43 -2.79 58.06 38.85 -5.19 58.65 39.46 -4.30 57.07 37.76 -4.85 55.74 38.42 -4.53 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 53 58.27 39.08 -6.48 57.78 38.47 -7.10 58.31 41.06 -7.78 57.67 40.63 -8.75 59.15 40.14 -6.90 60.39 39.61 -7.65 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 54 58.31 42.32 -7.40 58.87 42.50 -6.59 58.53 44.48 -8.43 59.72 44.40 -8.13 57.57 43.36 -8.08 56.51 43.95 -7.15 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 55 57.99 45.53 -9.05 57.01 45.43 -9.24 58.39 47.82 -8.47 57.31 47.80 -7.87 58.77 46.70 -9.43 58.46 47.13 -10.86 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 56 59.26 48.80 -8.35 60.09 48.71 -8.91 57.84 50.78 -7.89 57.52 51.76 -7.22 59.01 49.91 -7.45 60.28 50.74 -7.29 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 57 57.19 50.42 -8.99 57.55 49.60 -9.44 54.71 50.61 -9.03 53.72 51.33 -8.90 56.05 51.21 -9.46 56.09 51.37 -10.99 2 0 1000.00-999 ?-999 ?-999 ? mMETA 58 54.67 49.30 -8.83 55.55 48.84 -8.97 53.09 48.97 -6.98 53.97 49.27 -6.17 53.45 48.62 -8.43 53.63 47.11 -8.60 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 59 51.80 48.96 -6.67 51.19 48.70 -7.41 51.45 48.15 -4.32 50.47 47.44 -4.09 51.37 49.30 -5.32 49.96 49.86 -5.35 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 60 52.62 48.00 -3.72 53.31 48.67 -4.00 53.05 47.59 -1.40 53.02 46.92 -0.38 52.88 46.95 -2.76 54.16 46.23 -3.14 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 61 53.27 48.89 -1.39 53.27 49.32 -2.30 52.33 49.52 0.86 52.51 49.06 1.98 53.48 49.61 -0.15 53.78 51.08 -0.44 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 62 51.15 49.99 0.46 51.13 50.32 -0.48 49.81 48.66 2.08 49.56 48.65 3.29 50.01 49.99 1.35 48.74 50.35 0.57 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 63 49.95 47.56 1.35 50.18 47.72 0.39 51.03 45.67 2.59 51.02 45.34 3.77 49.77 46.23 1.93 49.26 45.27 0.85 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 64 52.11 45.56 1.83 51.98 45.84 0.88 53.99 46.24 3.07 54.95 46.84 2.59 53.37 45.05 2.37 54.23 44.57 1.21 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 65 53.41 46.56 4.22 52.69 45.91 4.48 54.88 47.55 6.04 55.18 48.50 6.75 53.76 47.71 5.02 52.51 48.17 5.75 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 66 55.46 46.37 6.14 55.10 45.65 5.54 57.78 45.61 6.43 57.70 45.02 5.35 56.54 46.19 7.09 56.09 45.34 8.27 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 67 58.92 45.79 7.07 58.85 46.26 7.95 60.92 44.32 7.32 60.86 44.33 8.55 60.16 45.32 6.49 61.12 46.48 6.22 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 68 61.65 43.47 6.61 61.56 43.60 5.62 63.89 42.78 6.71 64.10 42.93 5.51 62.49 42.46 7.21 62.10 41.05 6.71 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 69 64.84 42.91 7.63 64.53 42.79 8.58 66.88 41.88 6.85 66.60 40.85 7.43 66.22 43.19 7.25 67.01 43.78 8.42 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 70 67.75 41.93 5.85 67.89 42.84 5.46 69.75 41.10 4.73 69.95 42.24 4.32 68.44 40.73 5.40 67.58 39.95 4.41 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 71 70.62 40.10 4.61 70.30 39.23 4.97 71.89 40.47 2.47 72.92 40.72 1.86 71.92 40.29 4.00 72.84 39.12 4.37 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 72 70.72 40.35 1.85 69.94 40.11 2.42 69.75 41.73 0.06 69.41 41.92 -1.09 70.68 40.58 0.41 70.21 39.35 -0.39 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 73 69.36 42.50 1.07 69.73 42.25 1.96 67.23 43.48 1.70 67.18 42.65 2.61 68.47 43.62 0.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS.A 74 66.22 44.28 1.41 66.39 44.90 0.64 63.93 43.31 1.63 63.92 42.97 0.46 64.98 44.26 2.17 64.39 45.66 2.22 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 75 63.04 42.90 2.53 63.23 43.26 3.44 60.71 42.72 2.82 60.68 43.01 4.01 61.92 42.02 2.24 62.07 40.69 2.97 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 76 59.70 43.00 2.00 59.84 42.73 1.05 57.46 42.60 2.78 57.44 41.57 2.11 58.51 43.65 2.51 58.01 44.69 1.51 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 77 56.60 42.84 3.75 56.74 43.71 4.23 54.35 42.55 4.70 54.44 43.65 5.26 55.56 41.88 4.07 56.09 40.80 5.01 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 78 53.21 41.88 4.62 53.27 41.00 4.14 52.11 42.32 6.69 52.38 41.26 7.24 51.98 42.40 5.18 50.79 41.59 4.68 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 79 51.95 43.46 7.35 51.74 44.26 6.78 51.51 42.29 9.52 52.26 41.55 10.14 52.06 43.50 8.79-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR~A 80 50.20 42.09 9.41 49.73 42.75 8.83 50.17 39.61 9.97 50.19 38.87 10.94 49.53 40.98 10.09 48.08 40.89 9.62 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 81 50.69 39.25 8.81 50.63 39.94 8.08 52.48 37.74 9.59 53.03 36.65 9.70 51.29 37.93 8.66 51.71 37.69 7.20 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 82 52.87 38.81 10.26 52.33 39.63 10.07 53.74 37.70 12.23 54.69 37.13 12.78 53.99 38.78 11.19 54.11 40.14 11.87 2 0 1000.00-999 ?-999 ?-999 ? mMETA 83 52.47 37.43 12.49 51.81 37.96 11.95 52.42 35.02 13.05 52.46 34.10 13.86 52.08 36.44 13.49 50.58 36.53 13.78 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 84 52.69 34.85 11.75 52.63 35.69 11.20 54.52 33.37 11.03 54.98 32.33 10.58 53.02 33.54 11.23 52.30 33.31 9.91 3 0 1000.00-999 ?-999 ?-999 ? mMETA 85 55.27 34.40 11.40 54.79 35.18 11.79 57.48 34.14 12.52 56.90 33.97 13.59 56.71 34.34 11.22 57.18 35.61 10.51 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 86 58.79 34.18 12.38 59.08 34.33 11.44 60.62 35.26 13.48 60.80 35.89 12.44 59.73 34.01 13.48 60.59 32.78 13.20 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 87 61.19 35.60 14.63 60.98 35.00 15.40 63.34 36.63 13.92 63.85 37.59 13.34 62.04 36.79 14.70 62.35 37.12 16.16 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 88 63.86 35.42 13.91 63.36 34.73 14.42 64.84 34.00 12.26 64.78 32.86 12.71 65.09 35.17 13.19 66.20 34.82 14.16 2 0 1000.00-999 ?-999 ?-999 ? mMETA 89 64.70 34.29 10.98 64.79 35.25 10.74 65.56 33.00 9.06 66.52 33.75 9.02 64.43 33.23 10.03 63.17 33.55 9.26 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 90 65.41 31.96 8.26 64.56 31.46 8.37 65.87 31.10 6.00 64.88 30.37 5.98 66.44 31.62 7.30 67.35 30.57 7.92 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 91 66.52 31.50 4.91 67.27 32.12 5.10 67.36 30.30 3.07 68.45 30.85 2.98 66.15 31.06 3.58 65.86 32.25 2.67 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 92 67.17 29.03 2.76 66.24 28.69 2.90 67.80 27.54 0.99 66.66 27.74 0.56 68.26 28.22 2.26 68.67 27.17 3.29 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 93 68.69 26.75 0.39 69.57 26.69 0.85 68.25 24.54 -0.61 69.16 23.92 -0.05 68.36 26.05 -0.85 69.42 26.33 -1.91 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 94 67.13 23.97 -1.03 66.48 24.59 -1.46 67.93 21.73 -1.63 68.32 22.07 -2.76 66.90 22.54 -0.87 65.50 22.16 -1.36 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 95 68.38 20.66 -1.00 67.98 20.52 -0.09 68.70 18.80 -2.55 69.34 18.31 -3.49 69.36 19.77 -1.59 70.13 18.98 -0.52 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 96 67.41 18.53 -2.34 67.01 19.02 -1.56 66.12 18.19 -4.48 66.22 17.58 -5.55 66.67 17.60 -3.19 65.50 16.98 -2.42 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 97 65.51 19.36 -4.37 65.51 19.74 -3.45 65.57 21.40 -5.64 66.44 21.74 -4.83 64.92 20.03 -5.52 63.41 20.15 -5.28 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 98 65.17 22.20 -6.62 64.44 21.83 -7.20 65.03 24.61 -6.07 65.24 25.79 -6.35 65.78 23.51 -6.80 65.86 23.85 -8.28 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 99 64.15 24.23 -5.14 64.08 23.25 -5.00 64.07 25.75 -3.16 65.02 25.14 -2.66 63.38 25.23 -4.42 62.02 24.65 -4.03 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 100 63.58 26.88 -2.67 62.82 27.28 -3.18 63.38 26.92 -0.26 62.32 26.32 -0.39 64.13 27.45 -1.46 64.03 28.97 -1.49 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 101 63.95 27.15 0.92 64.81 27.66 0.87 63.30 27.87 3.13 64.22 28.67 3.20 63.35 26.70 2.16 64.18 25.57 2.75 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 102 62.21 27.97 3.88 61.52 27.27 3.72 61.93 28.43 6.25 60.92 27.79 6.55 62.07 29.03 4.86 60.84 29.88 4.56 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 103 62.93 28.64 7.10 63.69 29.17 6.74 63.04 29.21 9.50 63.60 30.26 9.21 62.87 28.11 8.46 63.95 27.03 8.70 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 104 62.53 28.96 10.71 62.08 28.08 10.81 63.35 29.34 13.00 63.25 28.14 13.25 62.66 29.94 11.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP~A 105 64.05 30.17 13.76 64.05 31.12 13.45 63.92 29.05 16.03 64.41 28.24 16.81 64.77 29.70 14.95 65.53 30.84 15.62 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 106 62.64 29.42 16.08 62.36 30.07 15.37 60.62 28.04 16.58 60.00 27.31 17.34 61.76 28.90 17.11 61.21 30.09 17.90 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 107 60.36 28.12 15.28 60.97 28.73 14.77 59.75 26.20 13.81 58.99 25.28 13.51 59.27 27.36 14.67 58.41 28.29 13.81 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 108 61.02 26.24 13.43 61.55 27.02 13.76 61.12 25.51 11.17 61.06 26.68 10.79 61.55 25.19 12.58-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 109 60.80 24.49 10.38 60.88 23.58 10.80 59.06 25.46 8.98 58.06 25.00 9.52 60.38 24.71 9.01 60.21 23.39 8.27 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 110 59.07 26.63 8.34 59.96 26.90 7.97 57.30 27.14 6.84 56.08 27.13 6.66 57.87 27.44 8.21 58.21 28.92 8.33 3 0 1000.00-999 ?-999 ?-999 ? mMETA 111 58.20 26.90 5.89 59.14 26.95 6.22 58.93 25.77 3.86 59.90 26.32 3.35 57.83 26.60 4.52 57.65 27.89 3.73 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 112 58.78 24.45 3.84 57.94 24.12 4.28 60.07 23.78 1.75 61.17 23.49 1.28 59.79 23.58 3.23 59.27 22.17 3.54 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 113 59.10 24.28 1.00 58.25 24.47 1.49 58.81 25.94 -0.76 57.67 26.16 -1.15 59.29 24.53 -0.43 58.52 23.50 -1.24 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 114 59.71 26.90 -0.61 60.61 26.56 -0.31 59.59 28.67 -2.33 60.70 28.67 -2.84 59.42 28.30 -0.86 60.36 29.12 0.00 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 115 58.50 28.98 -3.02 57.65 28.97 -2.48 58.85 30.79 -4.69 58.79 31.60 -3.79 58.58 29.32 -4.44 57.28 28.96 -5.15 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 116 59.14 31.12 -5.94 59.15 30.35 -6.59 58.53 32.94 -7.46 58.48 32.28 -8.49 59.41 32.50 -6.30 60.86 32.68 -6.72 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 117 57.85 34.06 -7.30 57.99 34.52 -6.42 57.42 35.92 -8.88 57.56 36.87 -8.11 56.98 34.56 -8.35 55.56 34.66 -7.82 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 118 57.65 35.99 -10.18 57.50 35.14 -10.68 56.85 37.97 -11.37 56.32 37.59 -12.41 58.06 37.23 -10.81 59.04 36.96 -11.95 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 119 56.42 39.01 -10.67 56.95 39.20 -9.84 55.74 41.16 -11.64 54.95 42.11 -11.70 55.28 39.80 -11.10 54.29 40.03 -9.95 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 120 57.01 41.27 -12.00 57.56 40.44 -11.88 56.94 42.79 -13.91 56.77 41.86 -14.72 57.52 42.53 -12.53 59.03 42.50 -12.65 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 121 56.64 44.05 -14.18 56.80 44.70 -13.44 57.29 44.50 -16.45 57.14 44.05 -17.61 56.11 44.42 -15.48 55.35 45.76 -15.39 2 0 1000.00-999 ?-999 ?-999 ?