HEADER HYDROLASE ACTIVATOR 15-JUN-07 2QAS COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SSPB; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: C. CRESCENTUS SSRA PEPTIDE; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; SOURCE 3 ORGANISM_TAXID: 155892; SOURCE 4 STRAIN: CB15N; SOURCE 5 GENE: CC_2102; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 OTHER_DETAILS: SYNTHETIC SSRA PEPITDE WITH N-TERMINAL SOURCE 14 SOLUBILIZATION TAG AUTHOR P.CHIEN,R.A.GRANT,R.T.SAUER,T.A.BAKER mPRO.A 6 29.46 74.05 -16.49 30.05 74.28 -17.26 28.12 72.25 -15.42 28.35 71.57 -16.42 28.58 73.71 -15.35 27.38 74.66 -15.42 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 7 27.48 71.75 -14.34 27.21 70.79 -14.48 28.09 72.06 -11.93 28.37 70.87 -11.73 27.17 72.46 -13.10 25.72 72.08 -12.85 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 8 28.56 73.05 -11.17 28.27 73.96 -11.45 28.64 71.95 -9.00 27.53 72.32 -8.60 29.42 72.79 -10.02 29.87 74.10 -9.36 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 9 29.22 70.83 -8.59 30.13 70.68 -8.99 28.93 70.26 -6.18 30.01 69.93 -5.69 28.59 69.91 -7.63 29.07 68.48 -7.92 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 10 28.01 70.93 -5.50 27.18 71.14 -6.01 28.04 70.14 -3.18 28.34 70.21 -1.99 28.25 71.32 -4.11 27.31 72.47 -3.71 3 0 1000.00-999 ?-999 ?-999 ? mMET.A 11 27.51 69.05 -3.72 27.29 69.13 -4.70 28.49 66.92 -3.03 28.65 66.01 -2.20 27.28 67.85 -2.93 26.04 67.11 -3.44 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 12 29.33 67.14 -4.03 29.08 67.91 -4.62 30.09 64.86 -4.26 30.64 64.02 -3.53 30.52 66.32 -4.24 31.52 66.53 -3.11 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 13 29.12 64.54 -5.10 28.76 65.30 -5.64 29.75 62.24 -5.59 29.88 61.15 -5.04 28.63 63.18 -5.18 27.46 63.09 -6.17 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 14 30.55 62.67 -6.56 30.34 63.58 -6.91 32.66 61.50 -5.95 33.18 60.39 -5.90 31.64 61.83 -7.04 32.33 62.49 -8.24 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 15 32.94 62.47 -5.09 32.46 63.33 -5.25 33.26 61.28 -2.99 33.94 60.38 -2.51 33.87 62.25 -4.00 34.21 63.56 -3.32 2 0 1000.00-999 ?-999 ?-999 ? mMET~A 16 31.98 61.46 -2.68 31.54 62.22 -3.15 31.21 59.15 -2.25 31.23 58.19 -1.48 31.30 60.58 -1.73 29.89 61.09 -1.43 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 17 31.10 59.01 -3.57 31.08 59.86 -4.08 32.40 57.00 -4.07 32.49 55.78 -3.96 31.03 57.68 -4.17 30.60 57.79 -5.63 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 18 33.46 57.80 -4.12 33.22 58.77 -4.21 35.09 56.75 -2.64 35.62 55.65 -2.49 34.83 57.31 -4.03 35.81 58.45 -4.32 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 19 34.72 57.51 -1.61 34.32 58.39 -1.86 34.08 55.83 0.02 34.55 54.85 0.60 34.91 57.06 -0.23 34.47 58.14 0.75 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 20 32.83 55.88 -0.41 32.56 56.74 -0.85 32.60 53.49 -0.77 32.56 52.44 -0.14 31.93 54.75 -0.23 30.62 55.00 -0.98 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 21 33.24 53.61 -1.93 33.24 54.53 -2.33 35.17 51.97 -1.86 35.53 50.80 -1.99 33.88 52.46 -2.54 34.12 52.73 -4.02 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 22 35.85 52.85 -1.13 35.48 53.78 -1.12 36.61 51.36 0.57 37.38 50.47 0.93 37.05 52.43 -0.42 37.70 53.60 0.32 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 23 35.35 51.45 0.98 34.83 52.21 0.59 34.72 49.08 1.42 34.60 48.15 2.21 34.78 50.51 1.93-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL~A 24 34.78 48.90 0.10 34.84 49.74 -0.44 36.09 46.89 -0.18 36.17 45.68 0.06 34.75 47.55 -0.47 34.51 47.57 -2.00 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 25 37.15 47.69 -0.20 36.95 48.64 -0.42 38.50 46.68 1.52 38.96 45.58 1.80 38.49 47.18 0.08 39.54 48.28 -0.10 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 26 37.99 47.50 2.42 37.65 48.37 2.05 37.12 45.87 4.05 37.49 45.01 4.86 37.93 47.13 3.83 37.33 48.27 4.62 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 27 36.00 45.75 3.35 35.80 46.51 2.73 35.86 43.33 2.94 35.73 42.23 3.48 35.17 44.56 3.52 33.82 44.78 2.88 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 28 36.60 43.51 1.84 36.61 44.45 1.50 38.47 41.96 2.12 38.75 40.76 2.24 37.33 42.41 1.21 37.87 42.85 -0.14 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 29 39.14 42.91 2.77 38.83 43.84 2.58 39.73 41.87 4.94 40.51 41.20 5.61 40.23 42.58 3.68 41.03 43.83 4.06 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 30 38.45 42.01 5.27 37.92 42.60 4.66 37.64 39.89 6.14 37.73 39.03 7.01 37.92 41.34 6.46 36.65 42.03 6.98 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 31 37.30 39.61 4.89 37.22 40.40 4.28 38.41 37.54 4.37 38.53 36.35 4.64 37.06 38.23 4.49 36.33 38.18 3.14 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 32 39.44 38.30 3.98 39.19 39.25 3.81 41.43 37.53 5.20 42.32 36.70 5.34 40.78 37.76 3.84 41.64 38.72 3.01 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 33 40.98 38.28 6.19 40.26 38.93 5.94 40.82 37.04 8.29 41.25 36.64 9.36 41.52 38.16 7.54 41.37 39.47 8.29 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 34 39.74 36.53 7.71 39.51 36.95 6.83 39.82 34.17 8.35 40.51 33.84 7.39 38.98 35.44 8.32 37.69 35.19 7.53 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 35 39.76 33.43 9.47 39.17 33.78 10.19 40.30 31.30 8.35 39.17 30.86 8.10 40.55 32.19 9.57 40.05 31.57 10.88 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 36 41.36 31.05 7.59 42.22 31.44 7.91 41.56 31.09 5.16 41.82 30.57 4.08 41.24 30.24 6.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 37 41.55 32.41 5.35 41.31 32.70 6.28 40.76 33.50 3.24 39.60 33.19 3.47 41.85 33.33 4.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 38 41.15 34.01 2.07 42.13 34.22 2.03 39.81 32.92 0.33 40.53 31.93 0.40 40.23 34.23 0.97 40.89 35.09 -0.11 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 39 38.62 32.90 -0.29 38.10 33.75 -0.27 38.88 31.61 -2.30 38.62 32.43 -3.18 38.16 31.67 -0.95 36.66 31.90 -1.10 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 40 39.79 30.66 -2.45 39.91 30.06 -1.66 39.60 30.43 -4.91 38.48 29.94 -4.80 40.54 30.53 -3.71 41.47 29.32 -3.66 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 41 40.06 30.89 -6.08 39.37 30.78 -6.80 41.51 32.99 -6.13 42.42 33.62 -6.66 41.37 31.48 -6.38 41.54 31.16 -7.86 3 0 1000.00-999 ?-999 ?-999 ? mHIS.A 42 40.62 33.56 -5.32 39.93 32.94 -4.94 41.94 35.44 -4.31 42.36 34.82 -3.34 40.68 34.99 -5.05 39.45 35.43 -4.25 3 0 1000.00-999 ?-999 ?-999 ? mHIS.A 43 42.54 36.52 -4.80 42.11 36.87 -5.64 43.65 38.61 -4.51 43.00 39.02 -5.47 43.71 37.12 -4.19 45.02 36.49 -4.69 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 44 44.32 39.44 -3.70 44.86 39.00 -2.99 45.51 41.64 -4.21 46.58 41.30 -3.73 44.24 40.88 -3.91 43.56 41.53 -2.69 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 45 45.37 42.69 -5.00 44.44 42.81 -5.35 46.03 44.94 -4.79 45.03 45.51 -5.24 46.46 43.58 -5.33 46.67 43.68 -6.84 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 46 46.76 45.44 -3.80 47.53 44.86 -3.52 47.54 47.72 -3.54 48.73 47.44 -3.34 46.45 46.72 -3.19 46.41 46.62 -1.65 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 47 47.17 48.88 -4.07 46.19 48.99 -4.22 47.90 51.10 -3.51 46.76 51.52 -3.38 48.17 49.88 -4.39 48.11 50.29 -5.86 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 48 48.94 51.65 -2.91 49.82 51.21 -3.10 49.91 53.83 -2.12 51.02 53.53 -2.57 48.78 52.81 -2.04 48.65 52.37 -0.59 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 49 49.61 55.03 -1.63 48.68 55.10 -1.28 51.43 55.96 -0.37 50.94 56.06 0.75 50.57 56.13 -1.61 49.82 57.47 -1.56 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 50 52.72 55.72 -0.58 52.96 55.68 -1.55 53.84 56.70 1.44 54.08 56.52 2.64 53.69 55.52 0.49 55.07 55.21 -0.10 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 51 53.72 57.91 0.91 53.51 57.92 -0.07 52.58 59.60 2.38 52.62 60.49 3.24 53.87 59.12 1.72 54.49 60.24 0.88 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 52 51.45 59.03 1.98 51.56 58.35 1.26 50.35 59.35 4.10 51.07 58.49 4.61 50.18 59.40 2.58 49.09 58.43 2.13 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 53 49.73 60.27 4.82 49.19 60.93 4.29 49.27 58.96 6.77 48.49 58.31 6.07 49.85 60.27 6.27 49.08 61.45 6.87 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 54 49.65 58.55 7.97 50.31 59.14 8.44 49.83 56.01 8.17 49.67 55.02 8.89 49.13 57.31 8.53-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 55 50.60 55.97 7.08 50.66 56.83 6.56 52.62 54.60 7.40 53.42 55.53 7.44 51.27 54.73 6.72 51.42 54.54 5.17 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 56 52.86 53.42 7.95 52.12 52.75 7.85 54.71 51.85 8.08 53.99 50.96 7.64 54.11 53.14 8.62 53.87 53.02 10.13 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 57 56.03 51.76 8.11 56.50 52.56 8.49 58.19 50.75 7.82 58.63 51.82 8.23 56.71 50.58 7.61-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO~A 58 59.01 49.72 7.56 58.57 48.87 7.23 60.90 51.10 6.93 60.51 51.24 5.77 60.44 49.90 7.76 61.03 48.58 7.27 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 59 61.72 51.95 7.53 61.95 51.70 8.47 62.91 52.79 5.54 62.74 53.48 4.54 62.23 53.14 6.86 63.21 53.88 7.78 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 60 63.68 51.71 5.55 63.72 51.25 6.44 63.44 50.96 3.23 63.60 51.44 2.11 64.40 51.26 4.37 65.21 49.99 4.69 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 61 62.42 50.15 3.53 62.42 49.84 4.48 60.68 50.96 1.95 60.59 51.10 0.73 61.42 49.76 2.54 60.42 48.80 3.19 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 62 60.15 51.82 2.82 60.30 51.58 3.78 60.24 53.88 1.44 59.71 54.46 0.49 59.42 53.00 2.38 58.97 53.83 3.59 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 63 61.54 53.98 1.71 61.83 53.46 2.51 62.61 54.24 -0.52 62.87 54.98 -1.46 62.45 54.79 0.90 63.83 54.86 1.57 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 64 62.45 52.93 -0.65 62.25 52.45 0.21 61.38 52.62 -2.83 61.50 52.67 -4.06 62.57 52.26 -1.94 62.64 50.76 -1.71 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 65 60.22 52.86 -2.21 60.27 52.78 -1.22 58.53 54.60 -2.59 57.67 54.79 -1.73 59.00 53.20 -2.94 57.92 52.17 -2.62 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 66 59.09 55.61 -3.28 59.75 55.28 -3.95 57.33 57.42 -3.01 56.92 58.00 -2.00 58.81 57.04 -3.12 59.49 57.67 -4.35 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 67 56.54 57.12 -4.04 56.98 56.66 -4.81 54.17 56.25 -3.92 53.48 56.05 -2.92 55.12 57.45 -3.97 54.71 58.39 -5.12 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 68 54.13 55.46 -4.99 54.76 55.72 -5.72 53.89 52.99 -4.67 55.10 52.82 -4.80 53.24 54.31 -5.07 52.70 54.16 -6.50 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 69 53.08 52.06 -4.18 52.13 52.35 -4.09 52.43 49.76 -3.87 51.37 49.99 -3.30 53.57 50.74 -3.80 54.17 50.72 -2.39 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 70 52.64 48.67 -4.59 53.54 48.62 -5.03 52.05 46.43 -3.89 53.24 46.11 -3.81 51.63 47.64 -4.71 51.43 47.19 -6.17 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 71 51.08 45.78 -3.26 50.18 46.19 -3.35 50.33 43.58 -2.94 49.23 43.95 -3.33 51.36 44.58 -2.50 51.26 44.80 -0.95 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 72 50.69 42.31 -2.91 51.63 42.13 -2.59 49.50 40.40 -2.09 50.42 40.08 -1.33 49.77 41.27 -3.31 50.36 40.43 -4.48 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 73 48.22 40.08 -1.89 47.59 40.46 -2.57 47.28 37.95 -1.38 46.15 37.87 -1.84 47.79 39.25 -0.77 46.67 39.95 0.01 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 74 48.15 36.94 -1.39 49.03 37.14 -0.97 48.48 34.51 -1.29 47.87 33.84 -0.45 47.79 35.67 -2.00 48.18 35.72 -3.48 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 75 49.76 34.30 -1.61 50.13 34.95 -2.27 51.38 33.58 0.16 51.74 32.71 0.94 50.53 33.21 -1.03 51.46 32.60 -2.09 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 76 51.72 34.86 0.30 51.33 35.49 -0.37 52.25 36.48 2.21 52.73 37.58 1.94 52.60 35.24 1.40 54.03 35.37 0.86 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 77 51.38 36.28 3.19 51.04 35.34 3.25 50.50 36.71 5.39 49.87 35.65 5.41 50.97 37.34 4.09 49.87 38.21 3.49 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 78 50.82 37.38 6.49 51.28 38.25 6.33 49.89 37.94 8.65 50.11 39.13 8.41 50.49 36.86 7.80 51.78 36.37 8.46 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 79 49.12 37.50 9.64 49.01 36.51 9.66 47.84 39.63 10.01 48.10 40.76 10.44 48.49 38.39 10.60 49.55 38.77 11.64 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 80 46.99 39.43 9.01 46.88 38.48 8.73 45.29 41.05 9.46 44.44 40.29 9.94 46.27 40.54 8.40 45.51 40.05 7.18 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 81 45.42 42.32 9.84 46.15 42.81 9.37 43.88 44.16 10.29 44.44 45.26 10.35 44.55 42.91 10.85 45.35 43.28 12.08 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 82 42.68 44.00 9.71 42.34 43.06 9.71 41.11 45.91 10.13 39.99 45.50 10.47 41.96 45.14 9.13 41.13 44.49 8.02 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 83 41.65 47.03 10.61 42.57 47.23 10.27 39.81 48.59 10.83 39.55 48.30 9.66 40.94 47.87 11.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.A 84 39.16 49.54 11.49 39.48 49.71 12.43 38.56 51.40 9.96 37.88 51.76 9.00 38.07 50.25 10.84 37.04 50.74 11.88 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 85 39.73 51.94 10.26 40.19 51.54 11.05 41.56 52.72 8.69 41.96 53.46 7.79 40.27 53.04 9.46 40.52 54.28 10.34 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 86 42.21 51.61 9.04 41.78 51.10 9.78 43.69 49.72 8.61 43.09 49.13 9.51 43.44 51.21 8.37 44.62 52.01 8.93 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 87 44.56 49.12 7.81 44.96 49.70 7.10 46.40 47.52 8.10 47.17 48.32 7.56 44.89 47.71 8.00 44.34 46.84 6.85 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 88 46.82 46.49 8.82 46.10 45.95 9.26 48.43 44.72 8.55 47.51 43.92 8.73 48.24 46.19 8.93 48.79 46.53 10.33 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 89 49.60 44.40 7.99 50.23 45.16 7.93 51.41 42.79 7.53 52.20 43.72 7.44 49.91 43.04 7.50 49.54 42.85 5.99 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 90 51.78 41.52 7.61 51.03 40.86 7.70 53.42 40.51 6.21 52.70 39.59 5.83 53.19 41.15 7.57 53.54 40.13 8.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 91 54.41 41.01 5.49 54.90 41.77 5.92 56.28 40.23 4.15 57.00 40.62 5.08 54.76 40.48 4.18 54.38 41.50 3.11 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 92 56.78 39.60 3.09 56.10 39.35 2.40 58.84 40.06 1.82 58.29 40.11 0.72 58.21 39.33 2.97 58.44 37.83 2.77 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 93 60.01 40.63 2.06 60.32 40.52 3.00 62.14 40.76 1.03 62.88 40.89 2.01 60.74 41.35 1.03 60.77 42.85 1.35 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 94 62.49 40.08 -0.06 61.81 40.05 -0.79 63.88 38.42 1.00 64.91 38.35 1.68 63.78 39.43 -0.13-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 95 62.80 37.67 1.22 62.04 37.85 0.60 62.70 37.19 3.69 62.62 36.40 4.64 62.77 36.67 2.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN^A 96 62.74 38.52 3.86 62.79 39.04 3.01 61.29 39.64 5.55 60.77 40.53 4.90 62.69 39.13 5.20 63.67 40.32 5.27 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 97 60.68 39.08 6.60 61.20 38.36 7.06 59.30 40.93 7.58 60.14 41.30 8.40 59.34 39.51 7.00 58.92 38.44 8.02 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 98 58.33 41.74 7.13 57.73 41.30 6.46 56.70 43.50 7.75 55.82 42.99 7.05 58.17 43.12 7.57 58.83 44.08 6.57 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 99 56.44 44.43 8.67 57.26 44.76 9.14 54.74 46.21 8.27 55.58 47.08 8.09 55.09 44.90 8.97 54.92 45.08 10.47 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 100 53.47 46.34 7.91 52.89 45.55 8.14 51.60 47.91 7.75 50.78 47.05 8.07 52.97 47.53 7.24 52.83 47.29 5.74 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 101 51.37 49.22 7.81 52.15 49.78 7.55 49.67 50.70 7.11 50.42 51.61 6.76 50.08 49.75 8.21 50.19 50.49 9.54 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 102 48.49 50.48 6.56 47.98 49.71 6.94 46.58 51.81 5.72 45.69 51.01 6.00 48.01 51.33 5.48 48.06 50.56 4.14 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 103 46.36 53.13 5.64 47.16 53.70 5.43 44.22 53.39 4.58 44.80 53.35 3.49 45.00 53.63 5.86 45.22 55.13 6.12 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 104 42.91 53.22 4.69 42.54 53.24 5.62 42.17 54.28 2.64 41.99 54.24 1.43 42.13 53.01 3.48 40.71 52.62 3.85 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 105 42.45 55.41 3.30 42.59 55.29 4.28 43.75 56.74 1.68 43.74 57.45 0.67 42.54 56.69 2.62 42.64 57.81 3.64 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 106 44.79 55.98 2.00 44.68 55.44 2.83 45.82 55.17 -0.11 46.58 55.34 -1.05 45.99 55.97 1.18 47.16 55.45 1.98 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 107 44.81 54.30 -0.14 44.25 54.28 0.68 44.33 54.22 -2.61 43.70 55.28 -2.61 44.56 53.46 -1.31 43.37 52.56 -1.07 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 108 44.84 53.67 -3.70 45.34 52.82 -3.56 44.19 53.25 -6.02 43.68 53.59 -7.08 44.65 54.29 -5.01 45.95 54.96 -5.52 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 109 44.34 51.97 -5.70 44.76 51.79 -4.81 43.63 49.62 -5.95 44.29 49.27 -4.97 43.90 50.95 -6.63 44.94 50.76 -7.74 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 110 42.64 48.89 -6.47 42.20 49.32 -7.25 41.99 46.67 -7.11 41.31 47.06 -8.05 42.26 47.59 -5.93 40.98 47.70 -5.11 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 111 42.52 45.45 -7.06 43.03 45.24 -6.23 42.40 43.05 -7.73 43.31 42.64 -7.02 42.34 44.51 -8.16 43.41 44.78 -9.24 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 112 41.41 42.26 -8.17 40.72 42.75 -8.70 41.37 40.14 -9.24 40.32 39.98 -9.85 41.37 40.83 -7.88 40.10 40.45 -7.13 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 113 42.54 39.74 -9.73 43.30 39.94 -9.11 41.78 37.91 -11.34 41.48 37.66 -12.50 42.73 39.06 -11.02 44.18 38.58 -10.94 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 114 41.31 37.20 -10.31 41.62 37.53 -9.42 39.09 36.30 -11.18 38.61 35.46 -11.96 40.42 36.05 -10.49 40.16 35.38 -9.14 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 115 38.49 37.45 -10.89 38.99 38.02 -10.24 37.38 39.18 -12.14 36.41 39.86 -12.46 37.21 37.83 -11.47 36.10 37.90 -10.39 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 116 38.63 39.57 -12.35 39.32 38.91 -12.03 38.18 42.03 -12.44 37.78 42.91 -13.20 38.95 40.83 -12.98 38.73 40.72 -14.48 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 117 37.98 42.06 -11.13 38.33 41.27 -10.62 38.33 44.21 -10.10 39.28 43.88 -9.40 37.29 43.17 -10.51 36.49 42.71 -9.30 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 118 38.15 45.45 -10.51 37.32 45.60 -11.05 38.44 47.79 -9.70 37.30 48.06 -10.02 39.10 46.50 -10.17 39.99 46.79 -11.38 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 119 39.18 48.59 -8.93 40.09 48.22 -8.73 39.86 50.86 -8.44 41.00 50.47 -8.23 38.70 49.87 -8.41 38.20 49.74 -6.97 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 120 39.56 52.13 -8.70 38.59 52.30 -8.86 40.11 54.35 -7.89 39.02 54.85 -8.09 40.59 53.17 -8.73 40.85 53.62 -10.18 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 121 40.93 54.77 -6.92 41.79 54.27 -6.86 41.49 57.08 -6.16 42.35 57.14 -7.04 40.56 55.88 -6.04 40.54 55.45 -4.58 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 122 41.32 58.01 -5.23 40.59 57.79 -4.58 42.26 59.93 -6.50 43.09 60.82 -6.66 42.10 59.25 -5.14 43.49 58.97 -4.54 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 123 41.44 59.51 -7.45 40.81 58.78 -7.17 40.14 60.74 -9.13 39.17 60.08 -9.52 41.47 60.06 -8.80 41.76 58.95 -9.82 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 124 40.08 62.08 -8.97 40.92 62.49 -8.64 38.64 63.07 -10.75 37.55 63.46 -11.18 38.86 62.85 -9.25 39.11 64.16 -8.50 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 125 39.69 62.82 -11.54 40.49 62.52 -11.03 39.09 64.31 -13.45 38.13 64.30 -14.25 39.66 62.96 -12.99 38.87 61.81 -13.62 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 6 50.20 45.19 -12.90 50.16 45.38 -13.88 51.54 45.42 -10.79 51.65 46.61 -10.45 50.26 44.90 -11.44 50.08 43.38 -11.18 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 7 52.52 44.54 -10.61 52.30 43.60 -10.90 53.88 44.98 -8.52 54.18 46.03 -7.95 53.79 44.93 -10.03-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.B 8 53.63 43.84 -7.87 53.40 43.07 -8.46 55.13 43.95 -5.94 56.07 43.59 -6.66 53.69 43.76 -6.41 53.15 42.42 -5.94 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 9 55.30 44.52 -4.75 54.45 44.77 -4.29 57.10 43.59 -3.30 58.29 43.29 -3.25 56.63 44.75 -4.19 56.64 46.03 -3.39 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 10 56.16 42.94 -2.62 55.23 43.28 -2.77 56.62 40.47 -2.42 56.12 40.27 -3.54 56.47 41.83 -1.72 55.40 41.73 -0.62 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 11 57.31 39.54 -1.76 57.66 39.85 -0.88 56.16 37.50 -2.43 55.28 37.68 -1.58 57.53 38.20 -2.30 58.45 37.38 -1.36 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 12 55.96 36.72 -3.49 56.73 36.66 -4.12 54.77 34.68 -4.38 53.83 34.27 -5.07 54.68 36.03 -3.67 53.68 36.94 -4.42 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 13 55.89 33.97 -4.22 56.59 34.40 -3.65 55.20 31.65 -4.07 55.36 31.50 -2.86 56.02 32.67 -4.86 57.48 32.23 -4.92 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 14 54.31 30.94 -4.78 54.29 31.17 -5.75 54.28 28.79 -3.55 55.46 28.63 -3.85 53.46 29.93 -4.16 52.49 29.38 -5.20 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 15 53.64 28.00 -2.70 52.68 28.24 -2.53 53.36 25.70 -1.79 53.56 24.63 -2.41 54.32 26.87 -2.06 55.00 27.34 -0.76 2 0 1000.00-999 ?-999 ?-999 ?