HEADER UNKNOWN FUNCTION 21-FEB-06 2G3W COMPND HYPOTHETICAL PROTEIN XAC2396; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: YAEQ PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI; SOURCE 3 ORGANISM_TAXID: 92829; SOURCE 4 STRAIN: STR. 306; SOURCE 5 GENE: XAC2396; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-3A AUTHOR C.S.FARAH,C.R.GUZZO,J.A.R.G.BARBOSA,R.A.P.NAGEM HET MSE A 17 13 HET MSE A 41 8 HET MSE A 123 8 HET MSE A 150 8 HET MSE A 163 8 HET MSE A 175 8 HET MSE B 17 8 HET MSE B 41 8 HET MSE B 123 8 HET MSE B 150 8 HET MSE B 163 8 HET MSE B 175 8 HET ACT A 801 4 HET ACT A 802 4 SITE 1 AC1 2 VAL A 7 ARG A 148 SITE 1 AC2 3 GLN A 147 ASP A 166 HIS A 167 mTHR.A 4 15.97 35.10 5.06 16.10 34.32 4.44 16.26 36.04 7.42 15.53 35.48 8.24 15.77 36.27 5.98 14.27 36.72 6.05 2 0 11.87-999 ?-999 ?-999 ? O ACT A 801 mALA.A 5 17.48 36.50 7.73 18.02 36.80 6.94 17.16 37.55 9.98 16.58 38.49 9.45 17.97 36.55 9.13 19.46 36.89 9.19 2 0 9.88-999 ?-999 ?-999 ? O ACT A 801 mTHR^A 6 17.08 37.33 11.29 17.53 36.49 11.59 17.32 38.64 13.31 18.00 37.77 13.90 16.39 38.26 12.18 15.06 37.69 12.77 2 0 6.17-999 ?-999 ?-999 ? O ACT A 801 mVAL^A 7 17.34 39.94 13.63 16.68 40.48 13.12 17.58 40.56 16.00 16.47 41.06 16.14 18.24 40.50 14.63 18.68 41.94 14.28 3 0 -4.89-999 ?-999 ?-999 ? O ACT A 801s mARG^A 8 18.30 40.09 17.00 19.19 39.72 16.73 18.74 40.98 19.21 19.94 41.04 18.96 17.83 40.12 18.37 17.81 38.69 18.93 2 0 4.28-999 ?-999 ?-999 ? CH3 ACT A 801 mARG^A 9 18.16 41.62 20.22 17.16 41.55 20.23 19.01 41.54 22.48 18.06 40.88 22.89 18.90 42.37 21.21 18.22 43.70 21.51 2 0 5.14-999 ?-999 ?-999 ? CH3 ACT A 801 mALA^A 10 20.17 41.60 23.13 20.88 42.14 22.67 21.14 41.79 25.34 22.22 42.25 25.00 20.34 40.92 24.40 21.03 39.60 24.20 2 0 8.75-999 ?-999 ?-999 ? CH3 ACT A 801 mGLU^A 11 20.59 42.04 26.52 19.65 41.72 26.62 21.69 41.70 28.64 20.81 40.99 29.15 21.32 42.74 27.57 20.50 43.86 28.17 2 0 10.83-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^A 12 22.98 41.60 28.94 23.57 42.23 28.43 24.08 41.36 31.13 25.05 42.12 30.98 23.45 40.65 29.94 24.47 39.67 29.33 3 0 12.28-999 ?-999 ?-999 ? OXT ACT A 802 mGLN^A 13 23.50 41.14 32.31 22.61 40.69 32.26 24.73 40.30 34.19 24.01 39.45 34.72 24.12 41.54 33.55 23.12 42.22 34.48 2 0 13.53-999 ?-999 ?-999 ? OXT ACT A 802 mILE^A 14 26.05 40.23 34.12 26.47 41.08 33.81 27.47 39.16 35.84 28.05 40.19 36.17 26.82 39.02 34.46 27.88 38.72 33.38 3 0 16.26-999 ?-999 ?-999 ? OXT ACT A 802 mSER^A 15 27.30 38.12 36.65 26.70 37.41 36.26 28.61 36.67 38.01 28.01 35.65 38.35 27.91 38.01 37.96 26.86 38.10 39.05 2 0 18.60-999 ?-999 ?-999 ? OXT ACT A 802 mASP^A 16 29.89 36.68 37.64 30.25 37.58 37.41 31.57 35.41 38.82 32.63 36.04 38.83 30.66 35.46 37.60 31.47 35.39 36.30 2 0 21.33-999 ?-999 ?-999 ? OXT ACT A 802 mMETA 17 31.15 34.66 39.83 30.26 34.23 39.71 33.24 33.69 40.74 34.28 33.93 41.35 31.97 34.51 41.02 31.14 33.94 42.17 2 0 24.09-999 ?-999 ?-999 ? OXT ACT A 802 mASP.A 18 33.17 32.76 39.79 32.28 32.69 39.35 35.51 32.70 38.83 36.67 32.37 39.09 34.33 31.92 39.45 33.90 30.75 38.53 2 0 26.18-999 ?-999 ?-999 ? OXT ACT A 802 mARG.A 19 35.20 33.73 38.04 34.22 33.94 38.03 36.61 35.80 37.95 37.64 36.38 37.61 36.21 34.50 37.28 35.66 34.89 35.90 2 0 26.56-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.A 20 35.77 36.28 38.87 35.10 35.62 39.21 35.42 38.60 38.20 35.98 39.69 38.04 35.85 37.66 39.31-999.99-999.99-999.99 1 0 26.44-999 ?-999 ?-999 ? OXT ACT A 802 mTYR^A 21 34.39 38.20 37.45 34.01 37.31 37.72 32.48 39.51 36.56 31.51 38.75 36.62 33.89 38.98 36.33 33.92 38.16 35.04 3 0 23.57-999 ?-999 ?-999 ? OXT ACT A 802 mTYR^A 22 32.38 40.84 36.66 33.26 41.30 36.65 31.09 42.62 35.70 31.93 43.53 35.71 31.10 41.56 36.78 30.95 42.16 38.20 3 0 21.12-999 ?-999 ?-999 ? OXT ACT A 802 mALA^A 23 30.18 42.49 34.74 29.63 41.66 34.80 28.69 43.44 33.02 27.97 42.44 33.15 30.05 43.50 33.69 31.17 43.38 32.66 2 0 19.58-999 ?-999 ?-999 ? OXT ACT A 802 mASN^A 24 28.37 44.51 32.31 29.04 45.25 32.36 27.42 44.67 30.02 28.28 45.44 29.57 27.14 44.62 31.52 26.33 45.85 31.91 2 0 16.75-999 ?-999 ?-999 ? OXT ACT A 802 mHIS^A 25 26.67 43.87 29.27 25.98 43.36 29.78 25.54 43.97 27.06 24.56 43.26 27.28 26.84 43.74 27.83 27.40 42.35 27.47 3 0 15.35-999 ?-999 ?-999 ? CH3 ACT A 801 mSER^A 26 25.58 44.95 26.17 26.41 45.50 26.21 24.85 44.54 23.92 25.76 44.98 23.21 24.51 45.21 25.24 24.36 46.73 25.04 2 0 12.02-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU^A 27 24.13 43.47 23.61 23.37 43.27 24.23 23.37 42.69 21.36 22.20 42.93 21.65 24.45 42.65 22.45 24.66 41.19 22.89 3 0 10.35-999 ?-999 ?-999 ? CH3 ACT A 801 mTHR^A 28 23.81 42.39 20.14 24.80 42.29 20.11 23.41 40.93 18.32 24.61 40.67 18.17 22.99 42.23 18.96 23.25 43.43 18.02 2 0 7.91-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU^A 29 22.42 40.08 18.00 21.51 40.41 18.23 21.82 38.62 16.16 20.59 38.78 16.23 22.67 38.77 17.38 22.36 37.60 18.35 3 0 8.78-999 ?-999 ?-999 ? CH3 ACT A 801 mALA^A 30 22.47 38.36 15.03 23.47 38.36 15.11 21.47 36.60 13.77 22.39 35.83 13.75 21.75 38.09 13.79 22.60 38.47 12.58 2 0 9.21-999 ?-999 ?-999 ? O ACT A 801 mGLN^A 31 20.21 36.21 13.79 19.54 36.95 13.84 19.73 34.29 12.29 18.80 34.68 11.59 19.86 34.78 13.74 18.55 34.50 14.48 2 0 10.00-999 ?-999 ?-999 ? O ACT A 801 mHIS.A 32 20.67 33.47 11.87 21.36 33.26 12.57 19.41 32.13 10.26 18.88 31.54 11.20 20.69 32.92 10.50 21.93 32.01 10.35 3 0 12.93-999 ?-999 ?-999 ? O ACT A 801 mPRO.A 33 18.88 32.13 9.02 19.33 32.71 8.35 17.85 29.82 9.10 16.87 29.18 9.43 17.69 31.31 8.76 17.45 31.52 7.25 3 0 13.83-999 ?-999 ?-999 ? O ACT A 801 mSER.A 34 19.07 29.28 9.05 19.78 29.91 8.74 19.60 27.64 10.93 19.78 26.48 11.38 19.30 27.87 9.43 20.40 27.24 8.55 2 0 16.92-999 ?-999 ?-999 ? O ACT A 801 mGLU.A 35 19.62 28.72 11.71 19.39 29.57 11.23 18.70 28.59 13.97 17.86 29.49 13.89 19.96 28.65 13.13 20.80 29.88 13.54 2 0 15.41-999 ?-999 ?-999 ? O ACT A 801 mTHR~A 36 18.56 27.53 14.77 19.33 26.90 14.73 17.40 28.35 16.75 18.48 28.88 17.09 17.37 27.35 15.61 17.30 25.95 16.26 2 0 15.61-999 ?-999 ?-999 ? O ACT A 801 mASP~A 37 16.25 28.57 17.38 15.46 28.16 16.92 17.10 28.80 19.72 17.80 29.55 20.40 16.18 29.34 18.63 14.74 29.36 19.14 2 0 13.71-999 ?-999 ?-999 ? O ACT A 801 mGLU~A 38 17.10 27.47 19.88 16.42 27.00 19.32 19.49 27.15 20.50 20.20 27.53 21.41 18.01 26.79 20.79 17.82 25.28 20.70 2 0 17.03-999 ?-999 ?-999 ? O ACT A 801 mARG~A 39 19.95 27.00 19.26 19.26 26.67 18.61 21.66 28.77 19.18 22.72 29.10 19.73 21.36 27.31 18.92 21.66 27.04 17.44 2 0 17.24-999 ?-999 ?-999 ? O ACT A 801 mLEU~A 40 20.72 29.66 18.83 19.91 29.28 18.39 21.16 31.33 20.63 22.05 32.10 21.05 20.94 31.09 19.13 19.79 31.96 18.59 3 0 13.70-999 ?-999 ?-999 ? CH3 ACT A 801 mMETA 41 20.35 30.70 21.46 19.69 30.09 21.02 21.75 30.25 23.46 22.34 30.74 24.42 20.47 30.90 22.90 19.18 30.43 23.66 2 0 14.56-999 ?-999 ?-999 ? CH3 ACT A 801 mVAL~A 42 22.19 29.17 22.85 21.57 28.83 22.14 24.61 29.55 22.86 25.57 29.71 23.65 23.49 28.56 23.21 23.75 27.20 22.52 3 0 17.90-999 ?-999 ?-999 ? CH3 ACT A 801 mARG~A 43 24.49 30.26 21.72 23.70 30.04 21.14 25.48 32.42 22.41 26.52 32.94 22.81 25.49 31.28 21.40 25.26 31.91 20.03 2 0 16.34-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU~A 44 24.28 32.86 22.78 23.51 32.44 22.31 24.75 33.39 25.13 25.53 34.10 25.77 24.15 33.89 23.81 22.69 34.30 23.99 3 0 14.41-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU~A 45 24.39 32.19 25.54 23.69 31.75 24.98 26.53 31.52 26.63 27.25 31.76 27.62 24.99 31.58 26.74 24.37 30.18 27.01 3 0 16.32-999 ?-999 ?-999 ? OXT ACT A 802 mALA~A 46 27.04 31.16 25.44 26.35 30.98 24.74 29.18 32.38 25.41 30.25 32.45 26.03 28.49 31.05 25.20 28.78 30.50 23.82 2 0 19.62-999 ?-999 ?-999 ? CH3 ACT A 801 mPHE~A 47 28.57 33.43 24.88 27.76 33.25 24.32 29.20 35.00 26.64 30.25 35.43 27.14 29.09 34.75 25.12 28.25 35.82 24.38 3 0 17.94-999 ?-999 ?-999 ? CH3 ACT A 801 mALA~A 48 28.15 34.67 27.39 27.38 34.28 26.88 29.19 34.06 29.56 29.77 34.53 30.56 28.15 34.89 28.83 26.76 34.65 29.41 2 0 17.65-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~A 49 29.43 32.83 29.10 28.87 32.56 28.32 31.89 32.52 29.53 32.76 32.31 30.36 30.46 31.98 29.73 30.36 30.52 29.26 3 0 20.75-999 ?-999 ?-999 ? OXT ACT A 802 mPHE~A 50 32.10 33.25 28.44 31.27 33.47 27.93 33.57 35.20 27.89 34.51 35.67 27.26 33.43 33.68 28.03 33.81 32.98 26.72 3 0 23.06-999 ?-999 ?-999 ? CH3 ACT A 801 mALA.A 51 32.65 35.95 28.50 32.14 35.47 29.22 33.59 38.23 28.42 34.23 38.15 29.48 32.40 37.33 28.15 31.16 37.86 28.88 2 0 20.97-999 ?-999 ?-999 ? CH3 ACT A 801 mASP.A 52 33.83 39.11 27.46 33.12 39.14 26.75 34.57 41.22 26.71 33.63 41.19 25.91 34.99 39.95 27.41 36.03 39.26 26.54 2 0 22.25-999 ?-999 ?-999 ? CH3 ACT A 801 mASP.A 53 35.27 42.32 26.97 35.94 42.23 27.70 35.26 43.34 24.72 34.68 44.05 23.89 35.04 43.55 26.22 35.92 44.69 26.76 2 0 21.51-999 ?-999 ?-999 ? CH3 ACT A 801 mARG.A 54 36.04 42.31 24.38 36.26 41.70 25.14 35.98 40.85 22.32 36.21 40.63 21.13 36.54 42.10 23.01 38.07 42.10 23.00 2 0 21.96-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU.A 55 35.23 40.05 23.07 35.17 40.30 24.04 33.56 39.45 21.44 32.83 40.42 21.71 34.54 38.92 22.48 33.81 38.10 23.56 3 0 20.37-999 ?-999 ?-999 ? CH3 ACT A 801 mGLU^A 56 33.57 38.84 20.26 34.30 38.16 20.15 31.98 37.87 18.65 32.63 36.83 18.59 32.59 39.15 19.23 33.21 39.98 18.11 2 0 17.92-999 ?-999 ?-999 ? CH3 ACT A 801 mPHE^A 57 30.73 37.97 18.21 30.26 38.81 18.48 30.76 36.91 16.00 30.96 37.97 15.41 30.12 36.92 17.39 28.59 37.12 17.28 3 0 16.24-999 ?-999 ?-999 ? CH3 ACT A 801 mGLY.A 58 31.11 35.72 15.51 31.02 34.97 16.16 30.38 35.22 13.28 29.29 35.01 13.81 31.59 35.57 14.14-999.99-999.99-999.99 1 0 18.49-999 ?-999 ?-999 ? CH3 ACT A 801 mARG.A 59 30.54 35.15 11.97 31.41 35.51 11.61 29.81 33.15 10.79 29.94 32.80 9.61 29.46 34.58 11.16 29.13 35.41 9.92 2 0 18.00-999 ?-999 ?-999 ? CH3 ACT A 801 mGLY.A 60 29.97 32.32 11.82 29.82 32.73 12.72 29.30 30.09 10.93 29.47 28.87 10.82 30.35 30.93 11.64-999.99-999.99-999.99 1 0 20.52-999 ?-999 ?-999 ? O ACT A 801 mLEU.A 61 28.21 30.70 10.47 28.17 31.69 10.64 27.13 30.17 8.24 26.48 29.42 7.49 27.17 29.93 9.75 25.78 30.09 10.39 3 0 19.27-999 ?-999 ?-999 ? O ACT A 801 mSER.A 62 27.82 31.21 7.79 27.92 31.97 8.44 29.76 30.59 6.66 30.81 31.26 6.68 28.38 31.21 6.44 28.41 32.61 5.85 2 0 20.62-999 ?-999 ?-999 ? O ACT A 801 mASN.A 63 29.71 29.26 6.81 28.97 28.85 6.28 32.13 28.38 7.34 32.88 27.76 8.09 30.62 28.47 7.65 30.06 27.04 7.78 2 0 23.31-999 ?-999 ?-999 ? O ACT A 801 mASP.A 64 32.58 28.98 6.25 31.93 29.54 5.74 34.97 29.17 6.97 35.48 28.32 7.69 33.97 28.76 5.87 34.32 29.36 4.49 2 0 26.27-999 ?-999 ?-999 ? O ACT A 801 mASP.A 65 35.22 30.47 7.11 34.51 31.07 6.72 36.29 31.34 9.28 37.31 31.48 9.95 36.42 30.97 7.80 37.02 32.15 7.02 2 0 26.51-999 ?-999 ?-999 ? CH3 ACT A 801 mGLU.A 66 35.07 31.52 9.79 34.32 31.23 9.20 34.29 31.16 12.18 33.51 30.26 11.83 34.90 32.11 11.14 34.12 33.44 11.07 2 0 23.64-999 ?-999 ?-999 ? CH3 ACT A 801 mPRO.A 67 34.65 31.36 13.46 35.36 32.05 13.63 32.64 31.18 14.83 32.28 32.22 14.29 34.00 30.57 14.50 34.94 30.74 15.68 3 0 22.98-999 ?-999 ?-999 ? CH3 ACT A 801 mASP.A 68 31.89 30.56 15.74 32.22 29.66 16.02 30.97 32.40 17.13 30.25 33.41 17.11 30.68 31.22 16.24 29.80 30.20 16.94 2 0 19.76-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU^A 69 32.03 32.29 17.92 32.44 31.38 17.97 33.99 33.54 18.66 34.65 32.50 18.58 32.49 33.49 18.67 32.00 33.50 20.12 3 0 19.94-999 ?-999 ?-999 ? CH3 ACT A 801 mTRP^A 70 34.54 34.75 18.80 33.89 35.51 18.79 36.44 36.22 19.56 35.73 37.24 19.47 35.99 34.91 18.94 36.74 34.70 17.62 3 0 22.46-999 ?-999 ?-999 ? CH3 ACT A 801 mARG^A 71 37.57 36.15 20.24 37.88 35.21 20.41 39.62 37.31 19.91 40.33 36.30 19.86 38.31 37.32 20.69 38.55 37.27 22.19 2 0 24.03-999 ?-999 ?-999 ? CH3 ACT A 801 mARG^A 72 39.92 38.42 19.26 39.25 39.16 19.35 42.07 39.58 19.07 41.61 40.61 19.55 41.14 38.52 18.48 40.80 38.85 17.02 2 0 26.35-999 ?-999 ?-999 ? CH3 ACT A 801 mASP.A 73 43.38 39.34 19.05 43.66 38.48 18.60 44.33 41.59 18.83 43.66 41.67 17.79 44.29 40.30 19.66 45.71 39.72 19.88 2 0 29.26-999 ?-999 ?-999 ? CH3 ACT A 801 mTYR.A 74 45.11 42.56 19.31 45.63 42.29 20.12 45.94 43.91 17.35 46.08 44.96 16.75 45.22 43.90 18.70 45.87 44.91 19.67 3 0 29.97-999 ?-999 ?-999 ? CH3 ACT A 801 mTHR.A 75 46.39 42.74 16.90 46.30 41.98 17.55 46.11 41.65 14.70 46.45 41.37 13.56 46.96 42.60 15.55 48.45 42.15 15.56 2 0 31.78-999 ?-999 ?-999 ? CH3 ACT A 801 mGLY.A 76 45.00 41.17 15.26 44.90 41.40 16.23 43.98 38.89 14.73 42.96 38.25 14.48 44.02 40.40 14.50-999.99-999.99-999.99 1 0 29.10-999 ?-999 ?-999 ? CH3 ACT A 801 mASP.A 77 45.06 38.31 15.23 45.80 38.94 15.46 44.21 36.35 16.52 44.17 36.96 17.59 45.10 36.85 15.40 46.55 36.40 15.57 2 0 30.66-999 ?-999 ?-999 ? CH3 ACT A 801 mPRO^A 78 43.45 35.26 16.29 43.57 34.83 15.39 43.21 34.35 18.62 44.14 33.52 18.63 42.54 34.76 17.31 41.88 33.56 16.63 3 0 28.63-999 ?-999 ?-999 ? CH3 ACT A 801 mASP^A 79 42.73 34.94 19.72 42.11 35.71 19.52 42.17 33.40 21.57 42.59 32.48 22.29 43.08 34.51 21.08 43.01 35.69 22.07 2 0 29.41-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU^A 80 40.91 33.48 21.16 40.72 34.24 20.54 38.97 32.31 20.44 38.48 33.27 19.84 39.91 32.54 21.60 39.12 33.09 22.79 3 0 27.24-999 ?-999 ?-999 ? CH3 ACT A 801 mTRP^A 81 38.71 31.04 20.15 39.12 30.40 20.80 36.92 29.63 19.53 37.30 28.58 20.04 37.92 30.61 19.00 38.84 29.92 18.00 3 0 26.08-999 ?-999 ?-999 ? CH3 ACT A 801 mILE^A 82 35.63 29.98 19.43 35.47 30.85 18.97 33.62 28.58 18.89 33.04 29.37 18.13 34.55 29.13 19.98 33.69 29.92 21.04 3 0 24.14-999 ?-999 ?-999 ? CH3 ACT A 801 mASP^A 83 33.49 27.25 18.78 34.07 26.74 19.43 31.52 25.82 18.56 31.82 25.10 19.54 32.60 26.60 17.82 33.35 25.62 16.88 2 0 24.20-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU^A 84 30.27 25.97 18.13 30.16 26.54 17.32 28.91 24.02 18.11 29.19 23.89 16.91 29.17 25.32 18.82 27.89 26.17 18.88 3 0 22.90-999 ?-999 ?-999 ? CH3 ACT A 801 mGLY.A 85 28.39 23.06 18.85 28.29 23.29 19.82 29.06 20.72 18.29 29.82 20.56 19.27 27.99 21.79 18.25-999.99-999.99-999.99 1 0 25.16-999 ?-999 ?-999 ? CH3 ACT A 801 mGLN.A 86 29.11 19.97 17.19 28.53 20.27 16.44 30.82 18.98 15.87 30.63 18.25 14.87 29.94 18.81 17.09 29.05 17.60 16.80 2 0 28.66-999 ?-999 ?-999 ? O ACT A 801 mPRO.A 87 31.79 19.93 15.91 31.86 20.47 16.74 33.40 18.80 14.31 33.83 18.04 15.17 32.64 20.06 14.71 33.63 21.16 15.10 3 0 29.27-999 ?-999 ?-999 ? O ACT A 801 mASP~A 88 33.57 18.60 13.02 33.15 19.27 12.40 35.81 17.62 12.92 36.27 18.69 13.36 34.33 17.46 12.57 34.05 17.14 11.09 2 0 32.49-999 ?-999 ?-999 ? O ACT A 801 mGLU~A 89 36.55 16.54 12.77 36.05 15.76 12.39 38.81 17.60 12.48 39.73 18.11 13.11 37.97 16.49 13.10 38.52 15.14 12.68 2 0 35.55-999 ?-999 ?-999 ? O ACT A 801 mSER~A 90 38.50 17.95 11.23 37.69 17.50 10.86 39.02 20.33 11.03 39.91 21.18 11.04 39.30 18.93 10.50 38.97 18.90 9.02 2 0 35.05-999 ?-999 ?-999 ? O ACT A 801 mARG~A 91 37.78 20.56 11.43 37.16 19.79 11.29 38.02 21.92 13.42 38.50 22.97 13.82 37.37 21.83 12.03 35.85 21.88 12.15 2 0 31.47-999 ?-999 ?-999 ? CH3 ACT A 801 mVAL~A 92 38.07 20.81 14.15 37.65 20.00 13.73 40.22 21.12 15.30 40.77 22.00 15.97 38.72 20.84 15.46 38.44 19.59 16.31 3 0 32.68-999 ?-999 ?-999 ? CH3 ACT A 801 mARG~A 93 40.86 20.40 14.36 40.29 19.76 13.86 42.62 22.01 13.77 43.55 22.58 14.32 42.28 20.58 14.13 42.78 19.63 13.04 2 0 35.60-999 ?-999 ?-999 ? CH3 ACT A 801 mLYS~A 94 41.86 22.58 12.84 41.16 21.96 12.48 41.91 24.95 13.54 42.76 25.85 13.68 42.00 23.96 12.38 40.91 24.29 11.35 2 0 33.54-999 ?-999 ?-999 ? CH3 ACT A 801 mALA~A 95 40.88 24.80 14.38 40.30 24.00 14.21 41.90 25.77 16.42 42.40 26.83 16.80 40.70 25.77 15.45 39.39 25.53 16.18 2 0 31.08-999 ?-999 ?-999 ? CH3 ACT A 801 mCYH~A 96 42.42 24.58 16.78 41.97 23.78 16.37 44.83 25.08 17.09 45.69 25.67 17.78 43.55 24.51 17.70 43.78 23.08 18.19 2 0 34.06-999 ?-999 ?-999 ? CH3 ACT A 801 mASN~A 97 44.95 24.89 15.79 44.19 24.41 15.35 46.02 26.87 14.84 47.05 27.53 14.78 46.10 25.36 15.09 46.27 24.57 13.79 2 0 35.86-999 ?-999 ?-999 ? CH3 ACT A 801 mARG~A 98 44.81 27.41 14.76 44.06 26.79 14.98 44.52 29.82 15.54 44.68 31.02 15.34 44.62 28.82 14.38 43.40 28.97 13.47 2 0 32.98-999 ?-999 ?-999 ? CH3 ACT A 801 mSER~A 99 44.25 29.32 16.75 44.30 28.32 16.81 44.67 29.75 19.12 45.02 28.57 19.25 43.92 30.19 17.87 42.37 30.23 18.07 2 0 31.59-999 ?-999 ?-999 ? CH3 ACT A 801 mARG.A 100 44.92 30.69 20.01 44.59 31.60 19.74 44.87 29.41 22.11 45.46 28.48 22.65 45.63 30.44 21.27 45.79 31.76 22.05 2 0 33.23-999 ?-999 ?-999 ? CH3 ACT A 801 mGLU^A 101 43.55 29.59 22.20 43.24 30.45 21.78 41.49 28.38 21.90 40.96 29.31 21.31 42.66 28.65 22.84 42.13 29.18 24.19 2 0 31.57-999 ?-999 ?-999 ? CH3 ACT A 801 mALA^A 102 41.12 27.10 21.75 41.71 26.44 22.21 38.97 26.13 21.94 39.38 25.46 22.91 39.96 26.72 20.97 40.35 25.69 19.90 2 0 30.02-999 ?-999 ?-999 ? CH3 ACT A 801 mVAL^A 103 37.69 26.38 21.70 37.54 26.97 20.91 35.55 25.18 21.63 35.12 25.78 20.64 36.61 25.83 22.53 35.94 26.96 23.38 3 0 28.11-999 ?-999 ?-999 ? CH3 ACT A 801 mVAL^A 104 35.14 23.98 21.99 35.69 23.54 22.69 32.92 23.28 22.49 33.18 22.82 23.58 33.99 23.34 21.39 34.36 21.91 20.94 3 0 27.74-999 ?-999 ?-999 ? CH3 ACT A 801 mILE^A 105 31.70 23.75 22.18 31.64 24.12 21.25 29.50 22.81 22.53 28.82 23.20 21.60 30.57 23.71 23.13 30.04 25.13 23.37 3 0 25.58-999 ?-999 ?-999 ? CH3 ACT A 801 mGLY^A 106 29.42 21.57 22.98 30.13 21.33 23.64 27.12 20.67 23.39 27.18 21.03 24.56 28.37 20.66 22.51-999.99-999.99-999.99 1 0 26.70-999 ?-999 ?-999 ? OXT ACT A 802 mTYR.A 107 25.98 20.28 22.79 26.08 19.91 21.87 23.67 19.43 22.89 22.47 19.66 23.01 24.70 20.40 23.47 24.24 21.88 23.47 3 0 24.43-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.A 108 24.13 18.30 22.33 25.08 18.08 22.54 22.81 16.19 22.14 22.25 15.35 21.46 23.26 17.48 21.48-999.99-999.99-999.99 1 0 26.67-999 ?-999 ?-999 ? OXT ACT A 802 mGLY~A 109 23.07 16.04 23.44 23.68 16.72 23.84 23.28 13.68 23.93 24.49 13.73 23.92 22.47 14.94 24.20-999.99-999.99-999.99 1 0 27.81-999 ?-999 ?-999 ? OXT ACT A 802 mGLN~A 110 22.62 12.56 23.66 21.63 12.65 23.65 24.42 11.42 22.30 25.49 10.81 22.39 23.35 11.32 23.40 22.37 10.18 23.07 2 0 31.57-999 ?-999 ?-999 ? OXT ACT A 802 mALA~A 111 24.11 12.18 21.25 23.20 12.58 21.29 26.36 12.99 20.62 27.44 12.62 20.12 25.04 12.39 20.14 24.42 13.30 19.10 2 0 32.16-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~A 112 26.28 13.94 21.53 25.34 14.16 21.81 28.28 13.68 22.99 29.50 13.71 22.94 27.45 14.60 22.07 27.08 15.89 22.81 2 0 30.93-999 ?-999 ?-999 ? OXT ACT A 802 mGLU~A 113 27.61 12.87 23.82 26.63 13.04 23.84 28.98 10.78 23.70 30.13 10.42 23.91 28.32 11.84 24.60 27.36 11.13 25.57 2 0 33.14-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~A 114 28.26 10.31 22.69 27.32 10.65 22.65 30.05 9.96 20.99 31.10 9.32 20.89 28.84 9.36 21.75 27.80 8.80 20.80 2 0 36.05-999 ?-999 ?-999 ? OXT ACT A 802 mTRP~A 115 29.89 11.18 20.50 28.95 11.52 20.60 32.21 12.02 20.83 33.33 11.67 20.44 30.98 11.95 19.90 30.50 13.35 19.54 3 0 35.26-999 ?-999 ?-999 ? O ACT A 801 mTRP~A 116 31.98 12.39 22.08 31.04 12.63 22.29 33.80 11.06 23.17 35.00 10.95 23.00 33.11 12.40 23.02 32.70 12.96 24.40 3 0 35.69-999 ?-999 ?-999 ? OXT ACT A 802 mLYS~A 117 33.05 10.01 23.48 32.06 10.19 23.53 34.38 8.20 22.46 35.43 7.54 22.58 33.65 8.72 23.72 32.59 7.72 24.21 2 0 38.77-999 ?-999 ?-999 ? OXT ACT A 802 mLYS~A 118 33.83 8.49 21.28 32.94 8.93 21.35 35.85 8.87 19.82 36.84 8.24 19.39 34.49 8.18 20.00 33.60 8.52 18.81 2 0 40.26-999 ?-999 ?-999 ? CH3 ACT A 801 mHIS~A 119 35.89 10.17 20.12 35.05 10.50 20.55 37.90 11.44 21.06 38.85 12.19 20.89 37.05 11.02 19.85 36.58 12.31 19.16 3 0 39.15-999 ?-999 ?-999 ? CH3 ACT A 801 mALA~A 120 37.54 10.99 22.27 36.73 10.41 22.25 39.75 10.97 23.42 40.62 11.81 23.72 38.28 11.35 23.50 37.67 10.71 24.70 2 0 39.74-999 ?-999 ?-999 ? OXT ACT A 802 mASN~A 121 40.04 9.73 23.02 39.26 9.15 22.80 42.15 10.27 21.98 43.26 10.70 22.25 41.42 9.30 22.92 41.52 7.85 22.42 2 0 43.35-999 ?-999 ?-999 ? CH3 ACT A 801 mALA~A 122 41.49 10.63 20.88 40.55 10.30 20.85 42.39 12.82 20.32 43.51 13.28 20.20 42.10 11.43 19.82 41.21 11.47 18.59 2 0 41.86-999 ?-999 ?-999 ? CH3 ACT A 801 mMETA 123 41.38 13.48 20.90 40.56 12.91 21.05 42.48 15.25 22.39 42.85 16.41 22.56 41.46 14.89 21.28 40.07 15.46 21.55 2 0 38.94-999 ?-999 ?-999 ? CH3 ACT A 801 mGLY~A 124 42.98 14.23 23.07 42.49 13.37 22.92 45.42 14.82 23.26 46.35 15.29 23.92 44.14 14.36 23.97-999.99-999.99-999.99 1 0 41.48-999 ?-999 ?-999 ? CH3 ACT A 801 mARG.A 125 45.45 14.70 21.92 44.63 14.27 21.56 46.68 16.72 21.08 47.69 17.31 20.66 46.60 15.19 21.07 46.43 14.72 19.60 2 0 42.35-999 ?-999 ?-999 ? CH3 ACT A 801 mTYR.A 126 45.63 17.39 21.55 44.88 16.81 21.86 45.86 19.41 22.99 45.28 18.89 23.93 45.63 18.88 21.58 44.32 19.46 21.03 3 0 39.27-999 ?-999 ?-999 ? CH3 ACT A 801 mARG.A 127 46.66 20.47 23.14 47.05 20.81 22.29 46.21 22.40 24.77 46.22 22.90 25.91 46.92 21.03 24.49 48.44 21.06 24.80 2 0 39.38-999 ?-999 ?-999 ? CH3 ACT A 801 mASN.A 128 45.57 22.98 23.75 45.54 22.42 22.92 43.49 24.25 23.57 42.86 25.25 23.22 44.98 24.31 23.86 45.68 25.29 22.91 2 0 35.88-999 ?-999 ?-999 ? CH3 ACT A 801 mLEU^A 129 42.94 23.07 23.73 43.57 22.37 24.05 40.73 22.73 24.74 41.16 22.10 25.69 41.54 22.82 23.45 41.42 21.50 22.67 3 0 33.91-999 ?-999 ?-999 ? CH3 ACT A 801 mARG^A 130 39.58 23.39 24.76 39.46 24.00 23.98 37.32 22.63 25.24 36.78 23.13 24.25 38.60 23.25 25.83 38.29 24.64 26.45 2 0 31.92-999 ?-999 ?-999 ? CH3 ACT A 801 mVAL^A 131 36.83 21.53 25.81 37.37 21.18 26.58 34.64 20.95 26.48 34.96 20.51 27.60 35.61 20.93 25.32 35.80 19.46 24.79 3 0 31.14-999 ?-999 ?-999 ? OXT ACT A 802 mILE^A 132 33.47 21.54 26.23 33.40 21.99 25.34 31.11 20.94 26.66 30.85 21.00 25.43 32.41 21.51 27.23 32.16 22.87 27.90 3 0 28.07-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^A 133 30.32 20.35 27.55 30.68 20.32 28.48 27.94 20.39 28.03 28.09 20.43 29.26 29.03 19.79 27.15 28.99 18.27 27.28 2 0 26.88-999 ?-999 ?-999 ? OXT ACT A 802 mLEU.A 134 26.87 20.84 27.38 26.95 20.80 26.39 24.55 20.32 27.92 24.37 19.74 26.86 25.68 21.33 28.06 25.25 22.64 27.41 3 0 23.47-999 ?-999 ?-999 ? OXT ACT A 802 mASP~A 135 23.77 20.15 28.98 24.06 20.69 29.78 21.64 19.71 27.91 21.23 20.87 27.91 22.61 19.25 28.98 21.93 19.31 30.35 2 0 23.44-999 ?-999 ?-999 ? OXT ACT A 802 mSER~A 136 21.24 18.80 27.02 21.57 17.87 27.20 18.97 19.59 26.31 18.31 20.36 25.62 20.38 19.17 25.89 20.26 18.02 24.88 2 0 22.86-999 ?-999 ?-999 ? OXT ACT A 802 mGLN~A 137 18.48 19.05 27.42 19.09 18.41 27.90 17.14 20.86 28.37 16.18 21.60 28.17 17.14 19.42 27.86 16.60 18.46 28.91 2 0 21.24-999 ?-999 ?-999 ? OXT ACT A 802 mALA~A 138 18.25 21.25 28.99 18.94 20.54 29.08 18.54 23.67 28.37 17.90 24.73 28.41 18.40 22.63 29.49 19.58 22.72 30.50 2 0 18.54-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~A 139 19.35 23.36 27.35 19.84 22.49 27.46 18.16 24.38 25.46 17.80 25.47 25.01 19.50 24.23 26.19 20.66 23.75 25.24 2 0 17.97-999 ?-999 ?-999 ? OXT ACT A 802 mGLU~A 140 17.40 23.29 25.39 17.78 22.47 25.82 15.10 24.22 25.49 14.32 24.97 24.88 16.10 23.34 24.72 15.58 21.94 24.49 2 0 17.87-999 ?-999 ?-999 ? OXT ACT A 802 mALA~A 141 15.15 24.14 26.82 15.74 23.40 27.15 14.89 26.49 27.52 14.10 27.44 27.58 14.40 25.05 27.70 14.55 24.62 29.16 2 0 15.17-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~A 142 16.20 26.66 27.32 16.74 25.82 27.30 16.30 28.64 25.84 15.99 29.82 25.79 16.74 28.02 27.15 18.26 28.05 27.29 3 0 13.24-999 ?-999 ?-999 ? OXT ACT A 802 mGLY~A 143 16.24 27.83 24.79 16.58 26.90 24.96 14.31 28.77 23.59 13.89 29.61 22.81 15.73 28.28 23.51-999.99-999.99-999.99 1 0 13.89-999 ?-999 ?-999 ? OXT ACT A 802 mALA~A 144 13.53 28.26 24.55 13.98 27.59 25.14 12.01 30.07 25.30 10.93 30.68 25.25 12.14 28.68 24.67 11.32 27.64 25.47 2 0 12.27-999 ?-999 ?-999 ? OXT ACT A 802 mLEU.A 145 13.10 30.57 25.87 13.91 29.98 25.83 13.49 33.00 25.52 13.58 34.17 25.91 13.08 31.90 26.50 14.01 31.93 27.72 3 0 8.75-999 ?-999 ?-999 ? OXT ACT A 802 mILE.A 146 13.72 32.63 24.26 13.61 31.65 24.10 13.04 34.69 23.03 11.84 34.44 23.06 14.11 33.58 23.23 14.45 32.88 21.91 3 0 9.56-999 ?-999 ?-999 ? OXT ACT A 802 mGLN.A 147 13.50 35.92 22.86 14.49 35.99 22.97 13.40 37.98 21.59 14.57 37.80 21.41 12.63 37.06 22.53 12.25 37.82 23.80 2 0 -8.01-999 ?-999 ?-999 ? OXT ACT A 802s mARG.A 148 12.72 38.95 20.98 11.74 38.97 21.15 14.29 40.85 20.93 15.38 41.22 20.51 13.43 39.90 20.11 12.44 40.67 19.24 2 0 -4.67-999 ?-999 ?-999 ? CH3 ACT A 801s mGLY^A 149 13.80 41.25 22.10 12.88 40.90 22.28 14.71 41.45 24.38 13.76 41.38 25.14 14.56 42.11 23.03-999.99-999.99-999.99 1 0 5.50-999 ?-999 ?-999 ? CH3 ACT A 801 mMETA 150 15.91 40.96 24.69 16.64 41.20 24.05 16.90 40.84 26.98 17.78 41.65 26.68 16.10 40.14 25.90 16.78 38.81 25.55 2 0 6.37-999 ?-999 ?-999 ? OXT ACT A 802 mARG^A 151 16.59 40.51 28.23 15.77 39.94 28.31 17.65 39.78 30.31 16.69 39.19 30.81 17.40 40.96 29.38 16.70 42.10 30.13 2 0 6.34-999 ?-999 ?-999 ? OXT ACT A 802 mPHE^A 152 18.92 39.44 30.53 19.58 40.00 30.04 20.27 38.74 32.51 21.24 39.47 32.27 19.29 38.33 31.41 19.90 37.16 30.62 3 0 8.33-999 ?-999 ?-999 ? OXT ACT A 802 mASP^A 153 19.99 38.25 33.73 19.02 38.03 33.88 21.60 36.72 34.50 20.86 35.74 34.36 21.01 38.08 34.74 20.41 38.11 36.14 2 0 11.03-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^A 154 22.92 36.70 34.38 23.35 37.60 34.37 24.51 35.38 35.54 25.43 36.19 35.76 23.68 35.47 34.27 24.60 35.46 33.03 3 0 13.86-999 ?-999 ?-999 ? OXT ACT A 802 mILE^A 155 24.14 34.42 36.38 23.39 33.85 36.06 25.68 32.96 37.52 25.15 31.86 37.28 24.80 34.23 37.65 23.77 34.11 38.79 3 0 16.56-999 ?-999 ?-999 ? OXT ACT A 802 mILE^A 156 27.00 33.13 37.64 27.27 34.08 37.78 28.66 31.83 38.89 29.19 32.81 39.44 27.94 31.99 37.56 28.92 32.14 36.38 3 0 19.93-999 ?-999 ?-999 ? OXT ACT A 802 mGLN.A 157 28.61 30.61 39.43 28.14 29.94 38.85 29.39 28.78 40.90 28.50 27.98 40.65 29.19 30.29 40.74 28.36 30.86 41.91 2 0 22.98-999 ?-999 ?-999 ? OXT ACT A 802 mASP.A 158 30.60 28.41 41.29 31.23 29.17 41.46 30.71 26.12 40.21 30.30 24.96 40.33 30.97 26.99 41.46 30.28 26.40 42.69 2 0 26.16-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.A 159 30.95 26.68 39.03 31.27 27.63 39.10 29.33 25.85 37.28 29.06 25.25 36.24 30.77 25.98 37.75-999.99-999.99-999.99 1 0 25.14-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^A 160 28.41 26.43 38.04 28.78 26.89 38.85 26.58 27.75 37.12 27.02 28.82 37.57 27.00 26.40 37.72 26.22 26.11 38.99 2 0 22.06-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^A 161 25.73 27.70 36.10 25.44 26.78 35.83 23.76 29.01 35.48 23.07 28.04 35.18 25.28 28.92 35.44 25.86 29.06 33.97 3 0 18.56-999 ?-999 ?-999 ? OXT ACT A 802 mGLN^A 162 23.27 30.18 35.89 23.98 30.79 36.25 21.64 31.69 34.86 22.33 32.71 34.92 21.86 30.53 35.83 21.28 30.91 37.22 2 0 15.23-999 ?-999 ?-999 ? OXT ACT A 802 mMETA 163 20.66 31.51 33.97 20.23 30.61 34.00 18.86 32.96 33.46 17.88 32.22 33.26 20.25 32.53 33.04 20.23 31.97 31.64 2 0 11.95-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^A 164 18.78 34.14 34.08 19.63 34.66 34.09 16.93 35.84 33.99 17.56 36.89 33.90 17.54 34.59 34.67 17.74 34.84 36.18 3 0 9.41-999 ?-999 ?-999 ? OXT ACT A 802 mALA^A 165 15.70 35.69 33.52 15.34 34.77 33.63 13.62 36.91 33.65 13.23 36.00 34.38 14.96 36.78 32.91 14.75 36.50 31.45 2 0 5.61-999 ?-999 ?-999 ? OXT ACT A 802 mASP.A 166 12.91 38.03 33.44 13.34 38.70 32.85 10.60 37.12 33.67 9.65 36.84 34.41 11.60 38.21 34.07 11.00 39.60 33.73 2 0 -4.39-999 ?-999 ?-999 ? OXT ACT A 802s mHIS.A 167 10.81 36.51 32.50 11.68 36.74 32.06 10.18 34.08 32.06 9.49 33.22 31.48 9.83 35.57 31.93 9.53 35.94 30.47 3 0 -4.33-999 ?-999 ?-999 ? CH3 ACT A 802s mGLY^A 168 11.22 33.75 32.81 11.66 34.52 33.27 13.12 32.24 33.35 13.86 33.23 33.33 11.67 32.35 32.94-999.99-999.99-999.99 1 0 7.95-999 ?-999 ?-999 ? OXT ACT A 802 mSER^A 169 13.53 31.03 33.75 12.82 30.33 33.74 15.32 29.38 33.72 14.49 28.48 33.57 14.90 30.78 34.15 15.05 30.96 35.67 2 0 10.53-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^A 170 16.62 29.23 33.49 17.12 30.10 33.50 18.59 27.95 33.98 19.34 28.93 33.88 17.26 27.94 33.24 17.55 27.71 31.73 3 0 13.64-999 ?-999 ?-999 ? OXT ACT A 802 mTHR^A 171 18.85 26.88 34.73 18.09 26.23 34.77 20.73 25.35 34.94 20.04 24.32 34.83 20.12 26.66 35.43 19.96 26.61 36.99 2 0 16.73-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^A 172 22.00 25.41 34.64 22.39 26.32 34.73 24.22 24.29 34.64 24.75 25.35 34.93 22.76 24.23 34.20 22.67 24.09 32.69 3 0 19.77-999 ?-999 ?-999 ? OXT ACT A 802 mTHR.A 173 24.86 23.12 34.69 24.28 22.34 34.44 26.99 22.42 33.87 26.84 21.23 33.56 26.25 22.99 35.06 26.39 22.01 36.19 2 0 23.06-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.A 174 27.75 23.28 33.17 27.76 24.22 33.50 29.49 21.72 32.40 30.09 21.78 33.48 28.50 22.80 32.00 29.21 24.04 31.49 3 0 24.28-999 ?-999 ?-999 ? OXT ACT A 802 mMETA 175 29.60 20.69 31.58 29.00 20.72 30.77 31.83 19.85 31.09 31.83 19.96 29.88 30.52 19.62 31.86 29.88 18.23 31.60 2 0 27.93-999 ?-999 ?-999 ? OXT ACT A 802 mVAL.A 176 32.95 19.93 31.80 32.83 19.82 32.79 34.86 18.79 30.75 35.33 18.06 31.62 34.23 20.15 31.14 35.16 20.97 32.01 3 0 30.23-999 ?-999 ?-999 ? OXT ACT A 802 mARG.A 177 34.80 18.43 29.47 34.27 19.07 28.90 36.95 17.38 28.82 37.67 16.42 28.90 35.44 17.23 28.95 34.86 16.89 27.57 2 0 33.07-999 ?-999 ?-999 ? OXT ACT A 802 mGLN.A 178 37.43 18.59 28.55 36.73 19.30 28.47 39.12 20.27 28.63 38.30 21.07 28.23 38.86 18.80 28.38 39.28 18.45 26.95 2 0 34.70-999 ?-999 ?-999 ? OXT ACT A 802 mALA.A 179 40.23 20.62 29.28 40.76 19.86 29.65 42.10 22.17 29.18 42.84 21.23 29.49 40.60 22.03 29.42 40.21 22.56 30.81 2 0 34.31-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.A 180 42.57 23.32 28.62 41.88 23.97 28.32 44.78 23.42 29.82 44.25 23.78 30.87 44.02 23.54 28.49 44.14 24.99 27.98 3 0 36.61-999 ?-999 ?-999 ? CH3 ACT A 801 mALA.A 181 46.01 22.91 29.77 46.27 22.54 28.88 47.10 24.36 31.38 47.31 25.25 30.56 46.89 22.92 30.93 48.23 22.25 30.64 2 0 39.44-999 ?-999 ?-999 ? OXT ACT A 802 mGLU.A 182 46.95 24.58 32.68 46.57 23.81 33.18 48.82 25.88 33.60 49.52 24.86 33.68 47.33 25.85 33.28 46.49 26.12 34.54 2 0 38.83-999 ?-999 ?-999 ? OXT ACT A 802 mTHR.B 4 63.31 22.78 43.61 63.23 23.48 42.89 62.32 20.68 44.58 62.60 19.48 44.70 63.43 21.75 44.68 63.52 22.38 46.10 2 0 57.16-999 ?-999 ?-999 ? OXT ACT A 802 mALA.B 5 61.08 21.09 44.34 60.93 22.08 44.46 60.41 19.53 42.59 61.04 20.19 41.76 60.04 20.14 43.95 58.67 20.81 43.89 2 0 54.44-999 ?-999 ?-999 ? OXT ACT A 802 mTHR^B 6 60.06 18.25 42.38 59.69 17.79 43.18 58.93 17.78 40.31 57.91 17.30 40.78 60.24 17.61 41.06 60.57 16.09 41.15 2 0 54.92-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 7 58.98 18.46 39.17 59.89 18.76 38.90 57.37 17.48 37.63 58.15 16.93 36.84 57.77 18.73 38.39 57.93 19.92 37.40 3 0 51.76-999 ?-999 ?-999 ? OXT ACT A 802 mARG^B 8 56.15 17.02 37.90 55.68 17.52 38.63 54.33 16.32 36.41 53.30 16.63 37.02 55.57 15.89 37.18 55.18 14.76 38.15 2 0 50.87-999 ?-999 ?-999 ? OXT ACT A 802 mARG^B 9 54.42 16.31 35.08 55.35 16.21 34.73 52.54 15.07 33.99 53.23 14.05 33.88 53.22 16.45 34.24 53.58 17.17 32.92 2 0 48.22-999 ?-999 ?-999 ? OXT ACT A 802 mALA^B 10 51.21 15.04 33.95 50.78 15.93 34.14 49.22 14.15 32.82 48.49 15.10 33.14 50.46 13.81 33.66 50.02 13.16 34.94 2 0 47.17-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^B 11 48.98 13.39 31.77 49.73 12.78 31.51 46.91 12.24 31.41 47.41 11.14 31.29 47.72 13.47 31.06 47.96 13.53 29.55 2 0 44.98-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 12 45.67 12.42 31.84 45.39 13.38 31.94 43.63 11.28 31.15 42.98 12.29 30.98 44.80 11.28 32.12 44.25 11.35 33.54 3 0 44.06-999 ?-999 ?-999 ? OXT ACT A 802 mGLN^B 13 43.36 10.13 30.53 44.04 9.41 30.66 41.21 9.04 30.50 41.42 7.82 30.55 42.15 9.98 29.74 42.49 9.52 28.34 2 0 42.92-999 ?-999 ?-999 ? OXT ACT A 802 mILE^B 14 40.21 9.62 31.13 40.09 10.59 30.89 38.06 8.38 31.48 37.25 9.17 30.98 39.39 8.88 32.08 39.10 9.72 33.33 3 0 41.83-999 ?-999 ?-999 ? OXT ACT A 802 mSER^B 15 37.84 7.07 31.56 38.63 6.52 31.83 36.04 5.80 32.51 36.49 4.70 32.82 36.52 6.51 31.26 36.59 5.55 30.07 2 0 41.77-999 ?-999 ?-999 ? OXT ACT A 802 mASP^B 16 35.16 6.45 33.24 34.87 7.33 32.87 33.23 5.49 34.35 32.35 6.35 34.46 34.69 5.88 34.51 34.94 6.86 35.69 2 0 41.43-999 ?-999 ?-999 ? OXT ACT A 802 mMETB 17 32.98 4.21 34.08 33.80 3.66 33.96 30.84 3.55 35.31 29.65 3.31 35.31 31.60 3.69 33.97 31.55 2.37 33.21 2 0 41.59-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 18 31.51 3.71 36.45 32.50 3.83 36.35 30.23 5.11 38.07 29.08 5.24 38.56 30.79 3.70 37.72 31.69 3.20 38.84 2 0 41.71-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 19 31.02 6.16 37.85 31.95 5.92 37.57 29.79 8.02 36.77 29.05 9.01 36.84 30.55 7.53 38.02 31.72 8.49 38.32 2 0 38.40-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 20 29.92 7.33 35.64 30.30 6.41 35.75 30.32 9.20 34.03 29.79 10.15 33.46 29.53 7.91 34.35-999.99-999.99-999.99 1 0 36.96-999 ?-999 ?-999 ? OXT ACT A 802 mTYR^B 21 31.60 9.22 34.40 31.90 8.36 34.82 33.50 10.06 33.10 34.25 9.04 33.14 32.49 10.35 34.21 33.21 10.70 35.52 3 0 36.51-999 ?-999 ?-999 ? OXT ACT A 802 mTYR^B 22 33.51 10.94 32.08 32.87 11.69 32.21 35.02 12.15 30.65 34.27 13.11 30.45 34.41 10.78 30.89 33.59 10.35 29.67 3 0 37.10-999 ?-999 ?-999 ? OXT ACT A 802 mALA^B 23 36.34 12.25 30.72 36.80 11.38 30.89 38.52 13.27 30.35 39.03 12.22 30.80 37.06 13.54 30.55 36.91 14.44 31.83 2 0 36.79-999 ?-999 ?-999 ? OXT ACT A 802 mASN^B 24 39.22 14.23 29.74 38.66 14.96 29.35 41.19 15.34 30.59 40.55 16.37 30.64 40.69 14.21 29.67 41.19 14.49 28.26 2 0 38.98-999 ?-999 ?-999 ? OXT ACT A 802 mHIS^B 25 42.29 15.12 31.29 42.66 14.22 31.10 44.39 16.21 31.94 45.02 15.17 31.70 42.90 16.11 32.25 42.76 15.61 33.69 3 0 39.59-999 ?-999 ?-999 ? OXT ACT A 802 mSER^B 26 44.93 17.43 31.89 44.24 18.16 31.89 46.81 18.40 33.12 46.43 19.56 33.39 46.37 17.71 31.82 46.76 18.61 30.64 2 0 41.52-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 27 47.63 17.71 33.89 48.01 16.91 33.42 49.44 18.31 35.48 50.23 17.72 34.78 47.95 18.08 35.30 47.50 16.97 36.24 3 0 42.97-999 ?-999 ?-999 ? OXT ACT A 802 mTHR^B 28 49.82 19.19 36.41 49.07 19.74 36.78 51.23 19.02 38.32 50.49 19.67 39.09 51.21 19.31 36.84 51.76 20.72 36.54 2 0 45.43-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 29 51.99 18.01 38.72 52.41 17.49 37.98 53.57 18.15 40.54 54.49 18.07 39.76 52.17 17.71 40.14 51.98 16.22 40.46 3 0 47.60-999 ?-999 ?-999 ? OXT ACT A 802 mALA^B 30 53.71 18.60 41.78 52.85 18.69 42.28 55.34 17.80 43.29 54.65 17.64 44.28 55.01 18.93 42.32 54.95 20.26 43.03 2 0 50.04-999 ?-999 ?-999 ? OXT ACT A 802 mGLN^B 31 56.32 16.98 42.95 56.74 17.15 42.06 57.61 16.50 44.95 58.78 16.82 44.70 56.71 15.91 43.86 57.41 14.77 43.13 2 0 53.20-999 ?-999 ?-999 ? OXT ACT A 802 mHIS.B 32 57.04 16.69 46.14 56.07 16.43 46.16 59.02 16.37 47.55 58.95 15.14 47.43 57.77 17.23 47.31 56.87 17.24 48.56 3 0 54.54-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.B 33 60.17 17.00 47.88 60.13 17.99 48.00 61.21 15.02 49.00 61.99 14.06 48.92 61.38 16.20 48.05 62.39 17.21 48.60 3 0 58.29-999 ?-999 ?-999 ? OXT ACT A 802 mSER.B 34 60.20 15.08 49.86 59.63 15.90 49.75 58.88 13.06 50.43 58.56 12.13 51.18 59.95 14.06 50.86 59.54 14.71 52.20 2 0 58.92-999 ?-999 ?-999 ? OXT ACT A 802 mGLU.B 35 58.31 13.28 49.24 58.68 14.06 48.75 57.87 11.34 47.89 58.59 11.61 46.94 57.23 12.44 48.72 56.29 13.29 47.86 2 0 56.69-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~B 36 57.62 10.09 48.28 57.09 10.02 49.13 57.35 8.90 46.17 56.30 9.53 46.01 58.08 8.93 47.52 57.77 7.62 48.26 2 0 58.76-999 ?-999 ?-999 ? OXT ACT A 802 mASP~B 37 57.92 8.15 45.21 58.79 7.77 45.49 55.99 7.22 44.02 55.05 7.53 43.30 57.33 7.93 43.89 58.27 7.09 43.03 2 0 57.72-999 ?-999 ?-999 ? OXT ACT A 802 mGLU~B 38 55.93 6.25 44.95 56.80 6.05 45.39 53.57 6.52 45.66 52.44 6.44 45.15 54.67 5.56 45.27 54.85 4.57 46.42 2 0 57.36-999 ?-999 ?-999 ? OXT ACT A 802 mARG~B 39 53.87 7.44 46.56 54.81 7.50 46.87 52.42 9.41 46.03 51.28 9.84 45.97 52.76 8.27 46.99 52.85 8.63 48.48 2 0 54.82-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~B 40 53.38 9.86 45.23 54.31 9.61 45.52 52.03 9.97 43.15 51.06 10.60 42.73 53.07 10.65 44.04 54.33 10.92 43.23 3 0 52.87-999 ?-999 ?-999 ? OXT ACT A 802 mMETB 41 52.26 8.70 42.83 53.09 8.32 43.23 50.04 7.65 42.62 49.00 7.57 41.96 51.36 7.97 41.94 52.06 6.70 41.44 2 0 52.57-999 ?-999 ?-999 ? OXT ACT A 802 mVAL~B 42 50.07 7.45 43.94 50.98 7.42 44.35 48.02 8.56 44.58 46.80 8.53 44.43 48.81 7.28 44.67 49.00 6.87 46.15 3 0 51.79-999 ?-999 ?-999 ? OXT ACT A 802 mARG~B 43 48.71 9.69 44.68 49.69 9.55 44.81 47.47 11.27 43.19 46.37 11.83 42.99 48.05 11.01 44.60 49.06 12.07 45.02 2 0 48.94-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~B 44 48.19 10.81 42.17 49.07 10.41 42.43 46.45 10.02 40.62 45.44 10.45 40.03 47.70 10.92 40.81 48.83 10.57 39.82 3 0 47.73-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~B 45 46.51 8.82 41.17 47.40 8.61 41.58 44.19 8.48 41.93 43.06 8.31 41.50 45.38 7.91 41.18 45.79 6.53 41.75 3 0 48.02-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 46 44.44 9.14 43.05 45.40 9.18 43.30 42.60 10.79 42.97 41.37 10.90 43.01 43.35 9.74 43.83 43.94 10.39 45.07 2 0 46.09-999 ?-999 ?-999 ? OXT ACT A 802 mPHE~B 47 43.37 11.60 42.24 44.36 11.52 42.36 41.85 11.81 40.32 40.72 12.22 40.08 42.74 12.53 41.32 43.76 13.41 40.59 3 0 43.15-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 48 42.37 10.74 39.73 43.30 10.52 40.02 40.30 9.37 39.32 39.23 9.37 38.67 41.59 9.96 38.72 42.47 8.86 38.10 2 0 43.42-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~B 49 40.39 8.88 40.56 41.31 8.93 40.96 38.13 9.32 41.58 36.95 8.95 41.66 39.23 8.31 41.26 39.70 7.61 42.55 3 0 43.58-999 ?-999 ?-999 ? OXT ACT A 802 mPHE~B 50 38.51 10.59 41.81 39.50 10.75 41.76 37.59 12.81 41.12 37.18 13.92 41.45 37.56 11.63 42.12 37.84 12.09 43.57 3 0 40.39-999 ?-999 ?-999 ? OXT ACT A 802 mALA.B 51 38.04 12.58 39.90 38.20 11.61 39.71 37.09 14.57 38.72 35.96 14.11 38.59 38.28 13.67 38.93 38.78 13.09 37.56 2 0 38.62-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 52 37.40 15.88 38.64 38.38 16.06 38.74 37.33 18.12 37.89 38.51 18.21 38.21 36.48 16.95 38.42 35.90 17.38 39.78 2 0 35.04-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 53 36.73 19.02 37.13 35.78 18.81 36.91 37.92 21.11 37.84 38.90 21.86 37.72 37.46 20.21 36.67 36.61 20.99 35.68 2 0 33.39-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 54 37.22 21.04 38.97 36.49 20.35 38.95 38.28 21.23 41.25 38.50 21.82 42.31 37.51 21.92 40.12 36.23 22.59 40.64 2 0 33.34-999 ?-999 ?-999 ? OXT ACT A 802 mLEU.B 55 38.72 19.99 41.01 38.38 19.60 40.15 41.05 19.78 41.79 41.56 19.83 40.67 39.63 19.29 41.94 39.60 17.77 41.71 3 0 36.99-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^B 56 41.68 20.13 42.91 41.14 19.95 43.73 43.93 19.94 43.85 43.48 19.38 44.85 43.02 20.72 42.92 42.99 22.15 43.47 2 0 39.25-999 ?-999 ?-999 ? OXT ACT A 802 mPHE^B 57 45.23 19.99 43.57 45.49 20.37 42.69 46.50 20.52 45.60 46.79 21.67 45.28 46.18 19.47 44.55 47.47 18.98 43.90 3 0 42.96-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 58 46.45 20.11 46.87 46.03 19.22 46.98 48.50 21.12 47.94 49.23 20.43 47.20 46.99 20.93 47.97-999.99-999.99-999.99 1 0 44.24-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 59 49.01 22.06 48.75 48.33 22.62 49.22 50.94 20.89 49.55 50.11 20.14 50.11 50.45 22.20 48.91 50.79 23.44 49.74 2 0 46.97-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 60 52.23 20.59 49.45 52.79 21.34 49.10 52.92 18.96 51.32 52.18 19.50 52.14 52.74 19.25 49.84-999.99-999.99-999.99 1 0 50.39-999 ?-999 ?-999 ? OXT ACT A 802 mLEU.B 61 53.88 18.09 51.67 54.34 17.67 50.88 54.64 19.06 53.77 54.46 19.22 54.98 54.20 17.79 53.08 55.32 16.74 53.22 3 0 53.51-999 ?-999 ?-999 ? OXT ACT A 802 mSER.B 62 55.22 19.97 52.99 55.35 19.67 52.05 54.49 21.99 54.23 54.74 22.70 55.20 55.62 21.28 53.49 56.16 22.15 52.35 2 0 53.54-999 ?-999 ?-999 ? OXT ACT A 802 mASN.B 63 53.25 21.80 53.77 53.18 21.33 52.89 51.18 21.17 55.11 50.29 20.66 54.42 52.10 22.27 54.55 51.28 23.35 53.82 2 0 50.80-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 64 51.45 20.83 56.37 52.35 21.17 56.65 49.09 20.17 56.97 48.41 19.15 56.74 50.59 20.06 57.30 50.80 20.64 58.72 2 0 51.81-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 65 48.61 21.41 56.93 49.31 22.11 56.74 46.28 21.66 55.94 45.06 21.80 56.08 47.21 21.74 57.14 47.09 23.13 57.74 2 0 48.56-999 ?-999 ?-999 ? OXT ACT A 802 mGLU.B 66 46.83 21.51 54.75 47.83 21.56 54.73 45.81 19.81 53.34 46.71 19.04 53.66 45.97 21.29 53.59 46.51 22.03 52.36 2 0 45.89-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.B 67 44.67 19.40 52.74 43.96 20.09 52.60 45.40 17.77 51.11 45.89 18.74 50.53 44.55 18.00 52.33 43.08 17.86 51.95 3 0 45.65-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 68 45.56 16.52 50.71 45.11 15.85 51.29 45.66 16.65 48.22 46.33 17.05 47.26 46.33 16.20 49.51 46.67 14.72 49.52 2 0 46.57-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 69 44.33 16.61 48.24 43.94 16.20 49.07 42.29 17.73 47.73 41.75 17.27 48.75 43.51 17.10 47.16 43.07 15.97 46.22 3 0 43.02-999 ?-999 ?-999 ? OXT ACT A 802 mTRP^B 70 41.78 18.74 47.04 42.34 19.07 46.27 39.79 20.02 46.33 40.41 20.53 45.37 40.50 19.28 47.42 40.60 20.18 48.67 3 0 39.75-999 ?-999 ?-999 ? OXT ACT A 802 mARG^B 71 38.47 20.02 46.46 38.11 19.36 47.11 37.03 21.91 46.69 36.43 21.48 47.67 37.64 20.93 45.70 36.54 20.15 44.99 2 0 36.04-999 ?-999 ?-999 ? OXT ACT A 802 mARG^B 72 37.16 23.21 46.41 37.70 23.39 45.58 35.55 25.13 46.50 35.70 25.38 45.29 36.58 24.27 47.25 37.67 25.20 47.83 2 0 34.37-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 73 34.54 25.61 47.23 34.50 25.28 48.17 34.07 27.98 46.72 35.08 28.29 47.36 33.57 26.53 46.65 32.17 26.35 47.28 2 0 30.86-999 ?-999 ?-999 ? OXT ACT A 802 mTYR.B 74 33.36 28.88 46.03 32.59 28.49 45.53 33.91 30.81 47.44 34.77 31.67 47.70 33.71 30.31 46.03 32.62 31.12 45.35 3 0 29.21-999 ?-999 ?-999 ? OXT ACT A 802 mTHR.B 75 33.11 30.30 48.36 32.44 29.64 48.01 34.63 30.36 50.31 35.19 31.13 51.08 33.23 30.67 49.77 32.18 29.94 50.62 2 0 30.97-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 76 35.18 29.22 49.89 34.68 28.77 49.15 36.17 27.43 51.28 37.13 26.81 51.74 36.41 28.70 50.48-999.99-999.99-999.99 1 0 34.31-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 77 34.90 27.07 51.47 34.23 27.73 51.14 34.95 24.65 51.17 34.55 24.64 50.00 34.54 25.80 52.11 33.03 25.70 52.37 2 0 35.05-999 ?-999 ?-999 ? OXT ACT A 802 mPRO^B 78 35.76 23.70 51.67 36.19 23.92 52.55 34.66 21.69 50.64 33.90 21.35 51.55 35.98 22.45 50.95 36.88 21.66 51.91 3 0 36.77-999 ?-999 ?-999 ? OXT ACT A 802 mASP^B 79 34.38 21.52 49.36 34.92 22.07 48.73 33.86 19.14 49.01 33.09 18.23 49.37 33.36 20.59 48.92 32.97 20.88 47.46 2 0 34.87-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 80 35.13 18.91 48.67 35.61 19.73 48.35 37.12 17.70 49.40 37.91 18.57 48.99 35.76 17.58 48.76 35.86 16.87 47.37 3 0 38.03-999 ?-999 ?-999 ? OXT ACT A 802 mTRP^B 81 37.40 16.85 50.38 36.67 16.19 50.55 39.32 15.50 51.13 38.74 14.56 51.65 38.67 16.88 51.15 38.39 17.33 52.62 3 0 41.52-999 ?-999 ?-999 ? OXT ACT A 802 mILE^B 82 40.51 15.38 50.52 40.92 16.23 50.19 42.53 13.98 51.00 43.47 14.72 50.66 41.14 14.07 50.35 41.20 13.63 48.84 3 0 44.38-999 ?-999 ?-999 ? OXT ACT A 802 mASP^B 83 42.65 13.04 51.94 41.80 12.54 52.13 44.41 11.41 52.30 43.65 10.43 52.27 43.90 12.78 52.64 43.72 12.89 54.16 2 0 48.04-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 84 45.71 11.35 52.05 46.19 12.22 52.13 47.09 9.58 52.92 47.72 10.32 53.66 46.36 10.13 51.69 47.33 10.40 50.51 3 0 50.82-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 85 46.98 8.27 53.14 46.37 7.81 52.50 46.86 7.36 55.50 45.69 6.98 55.41 47.70 7.60 54.24-999.99-999.99-999.99 1 0 54.33-999 ?-999 ?-999 ? OXT ACT A 802 mGLN.B 86 47.46 7.61 56.66 48.37 8.01 56.55 46.67 8.58 58.86 47.29 8.68 59.93 46.85 7.33 57.96 47.67 6.22 58.71 2 0 55.71-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.B 87 45.79 9.52 58.45 45.32 9.34 57.59 45.06 10.45 60.66 44.34 9.46 60.86 45.59 10.73 59.26 44.56 11.54 58.43 3 0 53.67-999 ?-999 ?-999 ? OXT ACT A 802 mASP~B 88 45.42 11.31 61.61 46.07 12.00 61.29 43.39 11.36 63.00 42.82 12.09 62.21 44.93 11.28 62.98 45.51 12.48 63.74 2 0 55.10-999 ?-999 ?-999 ? OXT ACT A 802 mGLU~B 89 42.73 10.64 63.91 43.29 10.03 64.47 40.85 12.23 64.23 39.81 12.63 63.71 41.28 10.77 64.02 40.70 9.91 65.14 2 0 53.87-999 ?-999 ?-999 ? OXT ACT A 802 mSER~B 90 41.62 13.00 65.00 42.42 12.54 65.37 41.32 15.22 63.95 40.46 16.08 63.74 41.28 14.40 65.25 42.17 15.03 66.32 2 0 52.82-999 ?-999 ?-999 ? OXT ACT A 802 mARG~B 91 42.31 14.98 63.10 43.01 14.34 63.44 41.16 15.21 60.91 40.56 16.04 60.19 42.34 15.63 61.77 43.63 15.32 61.03 2 0 50.61-999 ?-999 ?-999 ? OXT ACT A 802 mVAL~B 92 40.81 13.93 60.96 41.40 13.36 61.54 38.35 14.07 60.75 37.56 14.56 59.98 39.62 13.45 60.20 39.46 11.90 60.20 3 0 49.11-999 ?-999 ?-999 ? OXT ACT A 802 mARG~B 93 38.16 14.05 62.06 38.83 13.53 62.59 36.89 16.23 62.14 35.80 16.65 61.70 37.02 14.77 62.63 36.97 14.66 64.15 2 0 48.54-999 ?-999 ?-999 ? OXT ACT A 802 mLYS~B 94 37.98 17.01 62.20 38.78 16.55 62.58 37.71 18.59 60.24 36.93 19.49 59.82 37.97 18.41 61.74 39.24 19.13 62.21 2 0 46.69-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 95 38.31 17.72 59.43 38.92 17.10 59.91 36.62 17.45 57.60 36.05 18.11 56.72 38.08 17.69 57.97 38.97 16.61 57.32 2 0 44.62-999 ?-999 ?-999 ? OXT ACT A 802 mCYH~B 96 36.03 16.46 58.27 36.63 15.98 58.91 33.69 17.30 58.49 32.66 17.52 57.87 34.62 16.13 58.08 34.29 14.87 58.90 2 0 43.53-999 ?-999 ?-999 ? OXT ACT A 802 mASN~B 97 34.05 18.01 59.55 34.92 17.75 59.97 33.20 20.30 59.03 32.24 21.05 58.97 33.22 19.10 60.03 33.64 19.51 61.46 2 0 42.58-999 ?-999 ?-999 ? OXT ACT A 802 mARG~B 98 34.28 20.49 58.29 34.97 19.77 58.33 34.13 21.50 56.04 34.01 22.49 55.29 34.40 21.71 57.51 35.76 22.40 57.75 2 0 40.26-999 ?-999 ?-999 ? OXT ACT A 802 mSER~B 99 34.01 20.24 55.63 33.99 19.57 56.37 32.62 19.14 53.96 32.11 18.46 54.84 33.93 19.86 54.22 35.06 18.87 53.85 2 0 38.72-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 100 32.08 19.26 52.74 32.54 19.90 52.13 31.11 16.96 52.51 30.27 16.26 53.06 30.89 18.48 52.40 30.35 18.85 50.99 2 0 36.63-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^B 101 32.22 16.46 51.96 32.73 17.14 51.45 34.13 15.00 52.35 34.84 15.79 51.77 32.63 15.03 52.12 32.27 14.17 50.86 2 0 39.48-999 ?-999 ?-999 ? OXT ACT A 802 mALA^B 102 34.62 14.11 53.21 33.92 13.62 53.73 36.39 12.47 52.95 35.55 11.55 53.11 36.05 13.89 53.35 36.54 14.16 54.79 2 0 42.80-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 103 37.59 12.30 52.40 38.13 13.14 52.35 39.40 10.64 52.52 40.30 11.50 52.58 38.05 10.99 51.93 38.17 10.95 50.39 3 0 45.04-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 104 39.55 9.40 52.97 38.71 8.86 52.96 41.24 7.77 52.53 40.50 6.76 52.36 40.83 8.90 53.44 40.83 8.40 54.91 3 0 48.77-999 ?-999 ?-999 ? OXT ACT A 802 mILE^B 105 42.38 7.95 51.89 42.83 8.84 52.04 44.15 6.26 51.63 45.21 6.88 51.68 42.90 6.89 51.04 43.15 7.35 49.59 3 0 50.26-999 ?-999 ?-999 ? OXT ACT A 802 mGLY^B 106 44.01 5.01 52.06 43.11 4.62 51.86 45.88 3.48 51.76 45.35 2.83 50.85 45.06 4.29 52.74-999.99-999.99-999.99 1 0 54.03-999 ?-999 ?-999 ? OXT ACT A 802 mTYR.B 107 47.19 3.57 51.96 47.44 4.16 52.72 49.31 2.81 52.15 49.33 3.62 53.10 48.17 2.88 51.15 48.57 3.72 49.92 3 0 56.32-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 108 50.23 1.85 51.96 50.10 1.34 51.11 51.46 0.11 53.31 52.57 -0.38 53.63 51.32 1.58 52.93-999.99-999.99-999.99 1 0 59.92-999 ?-999 ?-999 ? OXT ACT A 802 mGLY~B 109 50.33 -0.60 53.31 49.50 -0.06 53.15 49.74 -2.37 54.88 48.55 -2.17 55.11 50.31 -2.04 53.52-999.99-999.99-999.99 1 0 61.86-999 ?-999 ?-999 ? OXT ACT A 802 mGLN~B 110 50.60 -2.86 55.76 51.52 -2.98 55.39 49.85 -1.99 57.99 49.12 -2.13 58.98 50.24 -3.21 57.15 51.39 -3.96 57.82 2 0 64.07-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 111 50.33 -0.82 57.57 50.95 -0.93 56.79 48.52 0.78 58.22 48.00 1.29 59.22 50.02 0.49 58.17 50.74 1.61 57.39 2 0 61.97-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~B 112 47.84 0.45 57.13 48.38 -0.07 56.46 45.48 -0.05 57.72 44.60 0.48 58.40 46.46 0.81 56.91 46.13 0.76 55.40 2 0 59.01-999 ?-999 ?-999 ? OXT ACT A 802 mGLU~B 113 45.65 -1.36 57.64 46.40 -1.64 57.03 44.79 -2.02 59.88 43.72 -2.05 60.49 44.81 -2.29 58.37 45.20 -3.74 58.06 2 0 60.83-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~B 114 45.95 -1.73 60.47 46.73 -1.67 59.84 45.39 -0.19 62.29 44.71 -0.09 63.31 46.04 -1.52 61.91 47.50 -1.58 62.45 2 0 62.72-999 ?-999 ?-999 ? OXT ACT A 802 mTRP~B 115 45.62 0.81 61.44 46.28 0.59 60.73 43.44 1.92 61.55 42.73 2.56 62.32 44.95 2.11 61.56 45.40 3.03 60.43 3 0 59.59-999 ?-999 ?-999 ? OXT ACT A 802 mTRP~B 116 42.95 1.02 60.68 43.64 0.59 60.10 41.03 -0.19 61.78 39.90 -0.04 62.25 41.51 0.70 60.62 41.12 0.11 59.26 3 0 58.14-999 ?-999 ?-999 ? OXT ACT A 802 mLYS~B 117 41.87 -1.11 62.25 42.72 -1.19 61.72 41.37 -1.04 64.70 40.54 -1.36 65.56 41.56 -1.90 63.44 42.64 -2.96 63.70 2 0 61.43-999 ?-999 ?-999 ? OXT ACT A 802 mLYS~B 118 42.15 0.04 64.79 42.78 0.12 64.03 40.92 2.02 65.75 40.22 2.29 66.73 42.09 1.01 65.88 43.42 1.77 65.93 2 0 61.17-999 ?-999 ?-999 ? OXT ACT A 802 mHIS~B 119 40.71 2.55 64.54 41.18 2.08 63.79 38.42 3.49 63.79 37.62 4.42 63.76 39.85 3.72 64.35 40.56 4.78 63.48 3 0 57.43-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 120 38.11 2.28 63.31 38.83 1.60 63.40 35.60 2.76 63.49 34.83 3.53 62.88 36.78 2.06 62.73 36.52 0.57 62.52 2 0 56.08-999 ?-999 ?-999 ? OXT ACT A 802 mASN~B 121 35.49 2.52 64.80 36.23 1.95 65.17 34.26 4.58 65.58 33.19 5.11 65.23 34.38 3.06 65.61 34.44 2.57 67.06 2 0 56.14-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 122 35.33 5.28 65.93 36.15 4.73 66.12 34.96 7.39 64.68 34.32 8.45 64.64 35.28 6.73 66.03 36.58 7.28 66.60 2 0 54.48-999 ?-999 ?-999 ? OXT ACT A 802 mMETB 123 35.40 6.76 63.60 35.84 5.88 63.79 33.86 7.05 61.66 33.36 7.86 60.86 35.25 7.29 62.25 36.34 6.71 61.35 2 0 51.69-999 ?-999 ?-999 ? OXT ACT A 802 mGLY~B 124 33.24 5.95 62.09 33.82 5.34 62.63 30.83 6.74 62.23 29.69 6.72 61.78 31.84 5.69 61.79-999.99-999.99-999.99 1 0 50.96-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 125 31.21 7.66 63.11 32.15 7.59 63.44 30.35 9.98 62.66 29.59 10.94 62.86 30.25 8.69 63.52 30.28 8.94 65.04 2 0 49.51-999 ?-999 ?-999 ? OXT ACT A 802 mTYR.B 126 31.27 9.96 61.68 31.90 9.18 61.73 30.69 10.47 59.37 31.34 9.83 58.52 31.35 11.00 60.65 32.81 11.43 60.40 3 0 46.61-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 127 29.39 10.74 59.23 29.03 11.40 59.88 28.91 10.59 56.77 28.46 10.00 55.78 28.60 10.08 58.18 27.11 10.18 58.48 2 0 44.47-999 ?-999 ?-999 ? OXT ACT A 802 mASN.B 128 29.67 11.69 56.70 29.89 12.08 57.60 31.57 11.84 55.07 32.18 12.45 54.19 30.13 12.27 55.44 29.94 13.81 55.38 2 0 41.96-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 129 32.08 10.80 55.73 31.46 10.42 56.42 33.43 9.05 54.54 32.56 8.19 54.64 33.43 10.26 55.47 34.10 9.85 56.80 3 0 44.86-999 ?-999 ?-999 ? OXT ACT A 802 mARG^B 130 34.40 9.02 53.62 34.91 9.88 53.56 36.12 7.38 53.11 37.07 8.19 53.21 34.70 7.86 52.78 34.62 8.25 51.31 2 0 45.69-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 131 36.26 6.08 53.28 35.43 5.55 53.15 37.83 4.36 52.70 37.04 3.45 52.59 37.56 5.51 53.65 37.59 5.02 55.11 3 0 49.25-999 ?-999 ?-999 ? OXT ACT A 802 mILE^B 132 38.95 4.43 51.99 39.50 5.25 52.15 40.72 2.87 51.31 41.57 3.62 51.83 39.30 3.36 51.05 39.11 3.76 49.56 3 0 50.55-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^B 133 40.96 1.60 50.98 40.16 1.09 50.66 42.77 0.53 49.72 42.04 -0.16 48.99 42.29 1.03 51.08 42.34 -0.09 52.13 2 0 53.93-999 ?-999 ?-999 ? OXT ACT A 802 mLEU.B 134 44.01 0.87 49.39 44.46 1.47 50.05 45.67 -0.61 48.54 46.51 -0.33 49.40 44.63 0.41 48.17 45.31 1.57 47.42 3 0 54.72-999 ?-999 ?-999 ? OXT ACT A 802 mASP~B 135 45.57 -1.78 47.91 44.71 -1.86 47.40 48.00 -2.35 47.68 48.26 -1.63 46.72 46.58 -2.85 47.93 46.20 -3.93 46.92 2 0 58.19-999 ?-999 ?-999 ? OXT ACT A 802 mSER~B 136 48.92 -2.78 48.55 48.59 -3.51 49.16 51.16 -2.74 47.51 52.08 -2.05 47.08 50.26 -2.23 48.63 50.88 -2.55 49.98 2 0 60.27-999 ?-999 ?-999 ? OXT ACT A 802 mGLN~B 137 50.90 -3.97 47.06 50.24 -4.48 47.62 51.18 -3.67 44.63 52.05 -3.34 43.85 51.53 -4.52 45.87 51.14 -6.00 45.71 2 0 61.93-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 138 49.91 -3.26 44.50 49.31 -3.56 45.24 50.03 -1.04 43.38 50.50 -0.54 42.36 49.46 -2.46 43.35 47.93 -2.42 43.30 2 0 58.49-999 ?-999 ?-999 ? OXT ACT A 802 mTHR~B 139 50.00 -0.38 44.54 49.59 -0.90 45.29 52.07 1.00 44.48 52.62 1.95 43.94 50.54 0.98 44.67 50.11 1.68 45.99 2 0 57.13-999 ?-999 ?-999 ? OXT ACT A 802 mGLU~B 140 52.76 -0.05 44.92 52.23 -0.71 45.46 54.42 -0.31 43.11 55.30 0.35 42.56 54.18 -0.17 44.62 54.81 -1.33 45.38 2 0 60.43-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 141 53.63 -1.15 42.44 52.98 -1.64 43.02 53.38 0.00 40.29 54.03 0.40 39.30 53.72 -1.31 40.99 52.79 -2.44 40.52 2 0 60.10-999 ?-999 ?-999 ? OXT ACT A 802 mLEU~B 142 52.39 0.70 40.82 51.92 0.27 41.60 53.19 2.98 40.37 53.45 3.69 39.40 52.05 1.99 40.28 50.79 2.53 40.95 3 0 56.55-999 ?-999 ?-999 ? OXT ACT A 802 mGLY~B 143 53.87 3.03 41.51 53.55 2.38 42.20 56.15 3.71 40.76 56.82 4.66 40.35 54.99 3.94 41.72-999.99-999.99-999.99 1 0 57.75-999 ?-999 ?-999 ? OXT ACT A 802 mALA~B 144 56.38 2.46 40.40 55.75 1.79 40.78 57.21 2.60 38.09 58.11 2.62 37.24 57.49 2.12 39.50 57.76 0.61 39.52 2 0 60.38-999 ?-999 ?-999 ? OXT ACT A 802 mLEU.B 145 55.97 2.99 37.83 55.33 2.87 38.59 55.75 5.07 36.45 55.31 5.68 35.48 55.60 3.55 36.53 54.17 3.16 36.16 3 0 57.63-999 ?-999 ?-999 ? OXT ACT A 802 mILE.B 146 56.37 5.69 37.46 56.70 5.08 38.18 57.50 7.66 36.41 58.47 6.99 36.10 56.54 7.15 37.49 56.99 7.66 38.88 3 0 56.32-999 ?-999 ?-999 ? OXT ACT A 802 mGLN.B 147 57.22 8.84 35.86 56.36 9.22 36.20 57.80 11.01 34.94 56.84 11.42 35.57 58.07 9.51 34.85 57.76 9.03 33.42 2 0 55.97-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 148 58.63 11.83 34.29 59.35 11.34 33.80 57.38 13.77 33.36 56.82 14.85 33.56 58.49 13.29 34.30 59.82 13.95 33.93 2 0 54.34-999 ?-999 ?-999 ? OXT ACT A 802 mGLY^B 149 57.08 12.96 32.36 57.67 12.16 32.28 55.18 11.98 31.24 55.59 11.13 30.44 55.97 13.24 31.45-999.99-999.99-999.99 1 0 52.03-999 ?-999 ?-999 ? OXT ACT A 802 mMETB 150 54.06 11.86 31.94 53.82 12.68 32.45 51.96 10.76 31.16 51.32 11.81 31.14 53.26 10.63 31.96 52.96 10.25 33.42 2 0 51.16-999 ?-999 ?-999 ? OXT ACT A 802 mARG^B 151 51.55 9.69 30.48 52.22 8.95 30.44 49.48 8.38 30.20 49.98 7.29 29.89 50.21 9.67 29.85 50.29 9.86 28.33 2 0 49.23-999 ?-999 ?-999 ? OXT ACT A 802 mPHE^B 152 48.35 8.48 30.90 48.08 9.42 31.12 46.19 7.27 30.71 45.50 8.29 30.72 47.59 7.29 31.28 47.50 7.16 32.81 3 0 48.75-999 ?-999 ?-999 ? OXT ACT A 802 mASP^B 153 45.74 6.11 30.22 46.46 5.46 29.97 43.83 5.28 31.43 44.51 4.38 31.96 44.29 5.89 30.11 43.90 4.91 29.00 2 0 47.31-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 154 42.73 5.79 31.96 42.32 6.54 31.44 40.79 4.75 32.89 39.88 5.51 32.49 42.19 5.28 33.21 42.15 6.35 34.33 3 0 46.43-999 ?-999 ?-999 ? OXT ACT A 802 mILE^B 155 40.64 3.45 33.04 41.48 2.95 33.26 38.82 2.29 34.26 39.49 1.53 34.96 39.35 2.80 32.91 39.43 1.66 31.91 3 0 46.51-999 ?-999 ?-999 ? OXT ACT A 802 mILE^B 156 37.65 2.76 34.65 37.23 3.39 33.99 35.67 1.71 35.66 34.78 2.31 35.06 37.04 2.38 35.92 36.95 3.58 36.88 3 0 45.79-999 ?-999 ?-999 ? OXT ACT A 802 mGLN^B 157 35.52 0.45 36.08 36.36 0.03 36.43 34.09 -1.27 37.10 35.03 -2.01 37.40 34.24 -0.22 36.00 34.02 -0.86 34.62 2 0 46.50-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 158 32.91 -1.32 37.69 32.24 -0.68 37.32 33.68 -2.19 39.90 34.09 -3.24 40.41 32.62 -2.23 38.80 32.39 -3.64 38.28 2 0 47.91-999 ?-999 ?-999 ? OXT ACT A 802 mGLY.B 159 34.08 -0.99 40.29 33.66 -0.23 39.78 36.49 -1.20 41.04 37.36 -1.13 41.90 35.05 -0.81 41.36-999.99-999.99-999.99 1 0 48.38-999 ?-999 ?-999 ? OXT ACT A 802 mGLU^B 160 36.75 -1.63 39.81 35.95 -1.68 39.21 38.68 -0.90 38.54 38.02 -0.40 37.61 38.09 -2.01 39.40 38.04 -3.30 38.62 2 0 50.52-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 161 39.91 -0.50 38.86 40.32 -0.97 39.64 41.84 0.03 37.39 42.67 -0.68 37.98 40.59 0.55 38.10 40.81 1.86 38.90 3 0 49.63-999 ?-999 ?-999 ? OXT ACT A 802 mGLN^B 162 41.91 0.35 36.10 41.12 0.87 35.77 43.72 1.27 34.82 43.06 2.14 34.21 43.05 -0.02 35.26 42.56 -0.74 34.02 2 0 51.19-999 ?-999 ?-999 ? OXT ACT A 802 mMETB 163 45.00 1.41 35.17 45.35 0.65 35.73 46.78 2.03 33.70 47.65 1.18 34.00 45.83 2.55 34.76 46.73 3.02 35.91 2 0 51.02-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 164 46.61 2.50 32.47 45.95 3.24 32.39 48.26 2.96 30.68 47.79 3.99 30.19 47.37 1.96 31.34 46.45 1.46 30.23 3 0 52.30-999 ?-999 ?-999 ? OXT ACT A 802 mALA^B 165 49.54 2.61 30.60 49.77 1.74 31.04 51.26 2.62 28.88 51.26 1.38 28.92 50.53 3.44 29.92 51.52 4.01 30.96 2 0 53.50-999 ?-999 ?-999 ? OXT ACT A 802 mASP.B 166 51.99 3.30 27.99 51.88 4.29 28.03 53.90 1.69 27.73 54.26 0.63 27.21 52.88 2.60 27.05 53.65 3.61 26.18 2 0 55.88-999 ?-999 ?-999 ? OXT ACT A 802 mHIS.B 167 54.38 2.11 28.89 53.93 2.91 29.26 55.06 0.43 30.61 55.91 -0.13 31.33 55.50 1.40 29.52 56.51 2.41 30.08 3 0 58.56-999 ?-999 ?-999 ? OXT ACT A 802 mGLY^B 168 53.74 0.21 30.72 53.19 0.63 30.01 51.74 -0.36 32.13 51.14 0.62 31.70 53.20 -0.60 31.82-999.99-999.99-999.99 1 0 58.24-999 ?-999 ?-999 ? OXT ACT A 802 mSER^B 169 51.16 -1.25 32.94 51.77 -1.99 33.21 49.64 -1.64 34.78 50.43 -2.49 35.22 49.76 -1.12 33.37 48.87 -1.99 32.47 2 0 56.26-999 ?-999 ?-999 ? OXT ACT A 802 mVAL^B 170 48.66 -1.14 35.52 48.15 -0.39 35.09 46.87 -1.77 36.97 46.14 -0.92 36.46 48.38 -1.66 36.85 49.03 -0.77 37.97 3 0 56.05-999 ?-999 ?-999 ? OXT ACT A 802 mTHR^B 171 46.42 -2.86 37.59 47.11 -3.54 37.80 44.84 -3.09 39.40 45.65 -3.73 40.07 44.99 -2.99 37.90 44.39 -4.26 37.26 2 0 55.03-999 ?-999 ?-999 ? OXT ACT A 802 mLEU^B 172 43.81 -2.44 39.93 43.31 -1.83 39.31 41.98 -2.41 41.57 41.29 -1.81 40.76 43.46 -2.64 41.32 44.32 -1.75 42.23 3 0 54.44-999 ?-999 ?-999 ? OXT ACT A 802 mTHR.B 173 41.51 -2.94 42.69 42.17 -3.51 43.18 40.26 -2.08 44.55 40.63 -2.74 45.52 40.17 -2.73 43.18 39.41 -4.06 43.24 2 0 53.06-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.B 174 39.98 -0.76 44.63 39.78 -0.29 43.78 38.93 -0.73 46.91 37.83 -1.11 46.48 39.99 -0.12 45.95 39.70 1.34 45.63 3 0 51.68-999 ?-999 ?-999 ? OXT ACT A 802 mMETB 175 39.31 -0.88 48.17 40.23 -0.55 48.36 37.75 -0.36 49.92 38.40 0.43 50.60 38.44 -1.48 49.17 39.25 -2.31 50.15 2 0 52.98-999 ?-999 ?-999 ? OXT ACT A 802 mVAL.B 176 36.43 -0.29 49.76 36.03 -1.03 49.21 35.31 0.36 51.80 34.45 -0.47 52.02 35.64 0.77 50.36 34.39 1.11 49.50 3 0 50.30-999 ?-999 ?-999 ? OXT ACT A 802 mARG.B 177 36.04 0.93 52.76 36.72 1.57 52.42 34.63 1.32 54.80 34.01 0.80 55.73 35.83 0.61 54.18 37.10 0.89 55.01 2 0 52.17-999 ?-999 ?-999 ? OXT ACT A 802 mGLN.B 178 34.33 2.52 54.31 34.95 2.81 53.59 32.87 4.27 53.65 33.78 4.73 52.94 33.20 3.32 54.79 33.58 4.13 56.05 2 0 49.24-999 ?-999 ?-999 ? OXT ACT A 802 mALA.B 179 31.58 4.56 53.48 30.96 4.04 54.08 29.84 6.27 52.93 29.04 5.69 53.68 31.12 5.55 52.49 30.94 4.90 51.12 2 0 45.51-999 ?-999 ?-999 ? OXT ACT A 802 mPRO.B 180 29.64 7.53 52.48 30.40 7.91 51.96 27.15 7.58 52.19 27.24 6.79 51.22 28.40 8.27 52.76 28.63 9.62 52.05 3 0 42.47-999 ?-999 ?-999 ? OXT ACT A 802