HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-JAN-04 1S12 COMPND HYPOTHETICAL PROTEIN TM1457; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: TOPO VECTOR; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: E. COLI STRAIN B834(DE3)/PSJS1244 AUTHOR D.H.SHIN,Y.LOU,J.JANCARIK,H.YOKOTA,R.KIM,S.-H.KIM,BERKELEY AUTHOR 2 STRUCTURAL GENOMICS CENTER (BSGC) HET ACT A 500 4 HET ACT B 501 4 HET ACT A 502 4 HET ACT B 503 4 SSBOND 1 CYS A 62 CYS D 362 1555 1555 2.54 SSBOND 2 CYS B 162 CYS C 262 1555 1555 2.50 SITE 1 AC1 7 HIS A 32 VAL A 66 HOH A1016 HIS D 332 SITE 1 AC2 5 HIS B 132 VAL B 133 HOH B1024 HIS C 232 SITE 1 AC3 5 LYS A 65 ALA A 68 ARG A 72 HOH A1029 SITE 1 AC4 5 LYS B 165 ALA B 168 ARG B 172 HOH B1051 mMET.A 1 26.19 13.41 25.87 25.95 12.99 25.00 27.64 15.08 26.91 28.58 14.79 26.19 26.56 14.05 27.17 27.06 12.96 28.13 2 0 22.54-999 ?-999 ?-999 ? OXT ACT A 500 mILE^A 2 27.49 16.29 27.45 26.64 16.42 27.96 29.64 16.98 28.27 29.37 16.65 29.43 28.53 17.32 27.28 28.03 18.76 27.62 3 0 18.97-999 ?-999 ?-999 ? OXT ACT A 500 mLYS^A 3 30.88 17.05 27.80 30.93 17.31 26.84 32.97 17.98 28.72 33.56 18.38 27.72 32.05 16.77 28.63 32.85 15.59 28.05 2 0 18.74-999 ?-999 ?-999 ? OXT ACT A 500 mVAL^A 4 33.10 18.55 29.91 32.56 18.14 30.64 35.22 19.26 30.84 35.14 18.64 31.90 33.98 19.70 30.08 33.32 20.85 30.85 3 0 15.64-999 ?-999 ?-999 ? OXT ACT A 500 mTHR^A 5 36.38 19.60 30.28 36.30 20.10 29.42 38.39 20.53 31.24 38.53 21.41 30.39 37.65 19.24 30.91 38.51 18.39 29.95 2 0 16.69-999 ?-999 ?-999 ? OXT ACT A 500 mVAL^A 6 38.88 20.61 32.47 38.70 19.82 33.05 40.96 21.36 33.51 41.01 20.54 34.42 39.62 21.78 32.92 38.85 22.56 34.00 3 0 13.76-999 ?-999 ?-999 ? CH3 ACT A 502 mTHR.A 7 42.04 21.92 32.97 41.85 22.55 32.22 44.06 23.00 33.63 43.41 24.03 33.44 43.39 21.64 33.46 44.23 20.81 32.46 2 0 14.05-999 ?-999 ?-999 ? CH3 ACT A 502 mASN.A 8 45.34 23.00 33.98 45.75 22.10 34.09 46.51 24.85 32.85 46.99 25.97 32.79 46.05 24.26 34.17 47.27 24.06 35.07 2 0 12.82-999 ?-999 ?-999 ? CH3 ACT A 502 mSER.A 9 46.35 24.08 31.77 45.92 23.20 31.95 45.66 24.92 29.53 45.84 25.75 28.62 46.80 24.55 30.47 47.65 23.47 29.81 2 0 15.51-999 ?-999 ?-999 ? CH3 ACT A 502 mPHE^A 10 44.50 24.31 29.73 44.48 23.68 30.51 42.06 24.04 29.42 42.03 23.36 30.45 43.37 24.57 28.87 43.59 23.87 27.51 3 0 15.43-999 ?-999 ?-999 ? OXT ACT A 500 mPHE^A 11 40.97 24.39 28.74 41.10 25.08 28.03 39.19 23.35 27.69 39.56 23.93 26.65 39.69 23.80 29.06 38.71 24.71 29.84 3 0 13.73-999 ?-999 ?-999 ? OXT ACT A 500 mGLU^A 12 38.40 22.28 27.70 38.19 21.96 28.63 36.41 21.31 26.67 35.97 20.98 27.77 37.89 21.65 26.50 38.70 20.36 26.29 2 0 15.61-999 ?-999 ?-999 ? OXT ACT A 500 mVAL^A 13 35.66 21.39 25.58 36.15 21.67 24.76 33.93 20.14 24.44 34.27 20.43 23.30 34.24 21.08 25.60 33.36 22.34 25.44 3 0 15.68-999 ?-999 ?-999 ? OXT ACT A 500 mTHR^A 14 33.28 19.02 24.74 33.07 18.90 25.70 31.58 17.42 23.90 31.03 17.44 25.02 32.94 18.07 23.68 33.96 16.92 23.59 2 0 19.16-999 ?-999 ?-999 ? OXT ACT A 500 mGLY.A 15 31.05 16.87 22.81 31.60 16.95 21.98 28.61 17.14 22.92 28.79 18.37 22.98 29.77 16.19 22.85-999.99-999.99-999.99 1 0 21.40-999 ?-999 ?-999 ? OXT ACT A 500 mHIS.A 16 27.42 16.58 22.91 27.42 15.58 22.85 25.26 16.76 23.99 25.42 15.61 24.40 26.20 17.37 22.98 25.51 17.45 21.62 3 0 21.11-999 ?-999 ?-999 ? OXT ACT A 500 mALA.A 17 24.27 17.55 24.39 24.29 18.46 23.97 21.93 17.03 24.64 21.70 17.76 23.68 23.28 17.11 25.35 23.19 18.10 26.50 2 0 21.50-999 ?-999 ?-999 ? OXT ACT A 500 mPRO.A 18 21.04 16.14 25.09 21.35 15.60 25.87 18.95 17.33 24.59 18.30 17.78 23.64 19.71 16.00 24.48 19.06 14.90 25.32 3 0 24.41-999 ?-999 ?-999 ? OXT ACT A 500 mASP~A 19 19.03 17.94 25.78 19.57 17.45 26.45 19.06 20.37 25.28 20.23 20.68 25.49 18.38 19.22 26.05 18.45 19.51 27.56 2 0 22.29-999 ?-999 ?-999 ? OXT ACT A 500 mLYS~A 20 18.30 21.01 24.40 17.36 20.67 24.35 19.13 23.36 24.41 20.03 24.11 24.06 18.81 22.10 23.59 17.79 22.43 22.50 2 0 20.96-999 ?-999 ?-999 ? OXT ACT A 500 mTHR~A 21 18.39 23.59 25.49 17.67 22.92 25.68 20.02 24.53 26.98 20.85 25.44 27.02 18.67 24.76 26.29 17.55 25.01 27.35 2 0 18.46-999 ?-999 ?-999 ? OXT ACT A 500 mLEU~A 22 20.27 23.33 27.48 19.53 22.66 27.38 22.71 23.25 27.15 23.71 23.90 27.48 21.55 23.05 28.13 21.57 21.62 28.71 3 0 16.96-999 ?-999 ?-999 ? OXT ACT A 500 mCYH~A 23 22.58 22.72 25.94 21.72 22.22 25.80 23.93 24.34 24.65 25.09 24.71 24.56 23.61 22.88 24.92 23.16 22.26 23.59 2 0 16.97-999 ?-999 ?-999 ? OXT ACT A 500 mALA~A 24 22.90 25.16 24.49 22.01 24.71 24.60 23.68 27.35 25.33 24.52 28.24 25.11 23.07 26.57 24.17 21.72 27.18 23.77 2 0 15.27-999 ?-999 ?-999 ? OXT ACT A 500 mSER~A 25 23.24 27.04 26.54 22.55 26.32 26.58 25.25 27.44 27.83 26.06 28.36 27.96 23.77 27.74 27.71 23.04 27.30 28.98 2 0 12.48-999 ?-999 ?-999 ? OXT ACT A 500 mVAL~A 26 25.61 26.16 27.76 24.85 25.52 27.66 27.82 26.38 26.67 28.86 27.00 26.89 27.01 25.76 27.83 27.16 24.21 27.81 3 0 11.85-999 ?-999 ?-999 ? OXT ACT A 500 mSER~A 27 27.36 26.23 25.43 26.51 25.71 25.35 28.38 28.32 24.47 29.50 28.79 24.24 28.11 26.81 24.31 27.38 26.55 22.99 2 0 12.47-999 ?-999 ?-999 ? OXT ACT A 500 mLEU~A 28 27.35 29.07 24.88 26.51 28.56 25.05 28.40 30.89 26.20 29.23 31.77 26.05 27.47 30.51 25.06 26.09 31.14 25.31 3 0 10.13-999 ?-999 ?-999 ? OXT ACT A 500 mLEU~A 29 28.25 30.23 27.34 27.53 29.54 27.34 30.56 30.21 28.19 31.45 31.01 28.47 29.10 30.53 28.49 28.63 29.73 29.72 3 0 7.02-999 ?-999 ?-999 ? OXT ACT A 500 mTHR~A 30 30.82 29.06 27.59 30.02 28.50 27.37 32.84 29.49 26.19 34.03 29.83 26.29 32.19 28.67 27.30 32.31 27.15 27.02 2 0 8.24-999 ?-999 ?-999 ? OXT ACT A 500 mGLN~A 31 32.08 29.84 25.16 31.12 29.53 25.19 32.88 32.03 24.58 33.79 32.72 24.12 32.66 30.63 24.09 31.79 30.62 22.83 2 0 9.47-999 ?-999 ?-999 ? OXT ACT A 500 mHIS~A 32 32.06 32.46 25.54 31.36 31.80 25.81 33.52 33.90 26.84 34.26 34.84 26.60 32.18 33.78 26.13 31.03 34.06 27.12 3 0 -6.46-999 ?-999 ?-999 ? OXT ACT A 500s mVAL~A 33 33.84 32.94 27.72 33.14 32.24 27.86 36.27 32.87 27.41 37.30 33.56 27.55 35.12 32.98 28.42 35.20 31.86 29.50 3 0 5.17-999 ?-999 ?-999 ? OXT ACT A 500 mALA~A 34 36.10 32.01 26.40 35.23 31.52 26.44 37.36 33.12 24.57 38.50 33.46 24.26 37.11 31.82 25.34 36.65 30.72 24.37 2 0 8.99-999 ?-999 ?-999 ? OXT ACT A 500 mASN~A 35 36.28 33.83 24.26 35.42 33.41 24.56 37.03 36.14 24.42 37.79 36.97 23.93 36.35 35.10 23.54 34.95 35.59 23.15 2 0 9.64-999 ?-999 ?-999 ? OXT ACT A 500 mPHE~A 36 36.72 36.11 25.71 36.06 35.40 25.96 38.83 36.86 26.72 39.58 37.83 26.65 37.31 37.05 26.66 36.67 36.83 28.04 3 0 7.63-999 ?-999 ?-999 ? O ACT A 500 mLEU~A 37 39.25 35.61 26.82 38.52 34.93 26.83 41.43 35.62 25.63 42.54 36.14 25.71 40.66 35.26 26.90 40.81 33.76 27.22 3 0 9.73-999 ?-999 ?-999 ? OXT ACT A 500 mLYS~A 38 40.86 35.33 24.46 39.95 34.91 24.54 41.72 37.12 22.95 42.74 37.54 22.42 41.52 35.62 23.18 40.71 35.03 22.03 2 0 12.82-999 ?-999 ?-999 ? OXT ACT A 500 mALA~A 39 40.73 37.91 23.35 39.97 37.42 23.77 41.99 40.00 23.81 42.56 40.94 23.26 40.75 39.36 23.20 39.49 39.97 23.82 2 0 12.66-999 ?-999 ?-999 ? O ACT A 500 mGLU~A 40 42.40 39.49 24.96 41.85 38.74 25.32 44.79 39.13 25.41 45.75 39.17 26.18 43.58 40.04 25.62 43.30 40.21 27.09 2 0 13.42-999 ?-999 ?-999 ? O ACT A 500 mLYS.A 41 44.73 38.32 24.35 43.87 38.40 23.84 46.25 36.42 25.07 47.42 36.06 25.15 45.81 37.41 23.99 47.03 38.22 23.52 2 0 15.80-999 ?-999 ?-999 ? OXT ACT A 500 mLYS.A 42 45.32 35.98 25.91 44.40 36.34 25.74 45.20 33.63 26.61 45.24 32.74 27.45 45.65 35.04 26.97 44.99 35.46 28.27 2 0 14.09-999 ?-999 ?-999 ? OXT ACT A 500 mALA^A 43 44.77 33.42 25.37 44.75 34.22 24.77 44.25 31.87 23.46 44.04 32.81 22.69 44.35 32.08 24.97 43.01 31.72 25.64 2 0 14.20-999 ?-999 ?-999 ? OXT ACT A 500 mLYS^A 44 44.43 30.62 23.04 44.65 29.96 23.76 43.14 29.31 21.56 43.05 28.34 22.33 44.31 30.28 21.64 45.61 29.66 21.12 2 0 16.60-999 ?-999 ?-999 ? OXT ACT A 500 mILE^A 45 42.24 29.60 20.64 42.47 30.39 20.07 41.01 27.86 19.31 41.29 28.23 18.17 41.03 28.83 20.48 39.80 29.78 20.32 3 0 15.89-999 ?-999 ?-999 ? OXT ACT A 500 mLYS^A 46 40.67 26.61 19.61 40.54 26.46 20.59 39.02 25.33 18.66 38.50 24.85 19.67 40.52 25.58 18.59 41.28 24.29 18.97 2 0 18.55-999 ?-999 ?-999 ? OXT ACT A 500 mLYS^A 47 38.32 25.71 17.59 38.86 26.10 16.85 36.49 24.61 16.39 36.88 24.83 15.23 36.87 25.55 17.53 36.22 26.93 17.36 2 0 18.20-999 ?-999 ?-999 ? OXT ACT A 500 mGLU^A 48 35.72 23.58 16.70 35.44 23.56 17.66 33.87 22.16 15.96 33.28 22.52 16.99 35.32 22.58 15.72 36.28 21.39 15.86 2 0 21.06-999 ?-999 ?-999 ? OXT ACT A 500 mSER.A 49 33.29 21.42 15.02 33.88 21.22 14.24 31.40 20.84 16.57 30.76 21.76 17.09 31.90 20.95 15.13 31.77 19.59 14.45 2 0 22.37-999 ?-999 ?-999 ? OXT ACT A 500 mGLY.A 50 31.67 19.70 17.20 32.16 19.03 16.66 32.53 19.46 19.41 32.75 18.54 20.20 31.25 19.50 18.58-999.99-999.99-999.99 1 0 20.91-999 ?-999 ?-999 ? OXT ACT A 500 mTYR^A 51 33.36 20.47 19.20 33.04 21.16 18.55 35.15 21.97 20.11 35.21 22.79 19.20 34.63 20.55 19.89 35.67 19.75 19.12 3 0 19.31-999 ?-999 ?-999 ? OXT ACT A 500 mLEU^A 52 35.50 22.24 21.35 35.35 21.49 22.00 37.23 23.24 22.65 37.10 22.46 23.60 36.06 23.52 21.71 35.04 24.39 22.45 3 0 16.15-999 ?-999 ?-999 ? OXT ACT A 500 mLYS^A 53 38.39 23.82 22.36 38.38 24.35 21.51 40.17 25.05 23.34 40.46 25.69 22.33 39.54 23.68 23.24 40.58 22.68 22.71 2 0 16.20-999 ?-999 ?-999 ? OXT ACT A 500 mVAL^A 54 40.35 25.50 24.57 40.05 24.87 25.28 42.26 26.61 25.59 42.27 26.15 26.74 40.95 26.80 24.84 40.01 27.67 25.69 3 0 13.98-999 ?-999 ?-999 ? OXT ACT A 500 mLYS^A 55 43.37 26.97 24.94 43.21 27.35 24.03 45.13 28.13 26.18 45.32 29.12 25.48 44.68 26.81 25.55 45.69 26.35 24.49 2 0 16.14-999 ?-999 ?-999 ? OXT ACT A 500 mPHE^A 56 45.30 28.11 27.50 45.14 27.22 27.92 47.11 29.75 27.97 47.96 28.98 27.53 45.70 29.29 28.25 45.59 29.04 29.75 3 0 14.87-999 ?-999 ?-999 ? OXT ACT A 500 mGLU.A 57 47.35 31.02 28.28 46.55 31.50 28.64 48.77 32.81 29.08 47.94 33.72 29.08 48.65 31.65 28.10 48.81 32.19 26.67 2 0 16.45-999 ?-999 ?-999 ? CH3 ACT A 502 mGLU.A 58 49.80 32.76 29.92 50.36 31.93 29.82 48.88 34.29 31.69 48.63 35.50 31.77 50.09 33.81 30.89 50.70 35.02 30.18 2 0 15.23-999 ?-999 ?-999 ? CH3 ACT A 502 mLEU.A 59 48.14 33.36 32.28 48.45 32.42 32.15 47.39 34.53 34.30 48.36 34.21 34.97 46.98 33.75 33.06 46.16 32.52 33.46 3 0 11.56-999 ?-999 ?-999 ? CH3 ACT A 502 mGLU~A 60 46.64 35.59 34.58 45.90 35.76 33.93 45.70 36.27 36.67 44.78 35.49 36.38 46.89 36.42 35.74 47.08 37.88 35.30 2 0 10.37-999 ?-999 ?-999 ? CH3 ACT A 502 mASN~A 61 45.71 37.00 37.79 46.52 37.58 37.88 43.23 37.10 38.16 42.28 36.42 38.56 44.63 36.95 38.77 44.85 38.04 39.83 2 0 7.52-999 ?-999 ?-999 ? CH3 ACT A 502 mCSS~A 62 43.11 38.01 37.20 43.96 38.49 36.97 41.23 37.03 35.90 40.12 36.63 36.24 41.84 38.27 36.54 42.00 39.35 35.47 2 0 8.30-999 ?-999 ?-999 ? O ACT A 502 mGLU~A 63 41.96 36.42 34.97 42.85 36.83 34.78 41.27 34.03 35.20 40.34 33.25 35.02 41.43 35.25 34.29 42.26 34.93 33.04 2 0 8.16-999 ?-999 ?-999 ? CH3 ACT A 500 mVAL~A 64 42.16 33.87 36.17 42.88 34.56 36.20 40.67 32.81 37.76 39.99 31.80 37.89 42.05 32.74 37.10 43.16 32.79 38.18 3 0 5.35-999 ?-999 ?-999 ? CH3 ACT A 502 mLYS~A 65 40.26 34.02 38.15 40.91 34.76 37.99 37.83 34.03 37.75 36.81 33.41 38.05 38.96 34.20 38.77 38.88 35.56 39.46 2 0 -3.67-999 ?-999 ?-999 ? CH3 ACT A 502s mVAL~A 66 37.99 34.55 36.53 38.85 35.05 36.38 36.78 32.87 35.28 35.67 32.36 35.22 36.93 34.37 35.54 37.25 35.12 34.22 3 0 -4.23-999 ?-999 ?-999 ? CH3 ACT A 500s mLEU~A 67 37.88 32.15 35.12 38.73 32.68 35.19 37.24 29.95 36.06 36.45 29.02 35.87 37.85 30.72 34.88 39.26 30.20 34.56 3 0 7.15-999 ?-999 ?-999 ? CH3 ACT A 500 mALA~A 68 37.60 30.32 37.28 38.26 31.07 37.32 35.51 29.83 38.49 34.76 28.93 38.90 37.02 29.64 38.45 37.64 30.17 39.72 2 0 -4.71-999 ?-999 ?-999 ? OXT ACT A 502s mALA~A 69 35.06 31.02 38.08 35.77 31.67 37.80 32.94 30.48 36.97 31.83 29.98 37.17 33.64 31.31 38.06 33.40 32.80 37.83 2 0 5.92-999 ?-999 ?-999 ? OXT ACT A 502 mMET~A 70 33.60 30.31 35.82 34.49 30.77 35.78 32.83 28.07 35.20 31.81 27.44 34.92 33.03 29.51 34.73 33.97 29.49 33.51 2 0 6.05-999 ?-999 ?-999 ? OXT ACT A 500 mVAL~A 71 33.81 27.54 35.93 34.58 28.15 36.10 32.61 26.00 37.43 31.82 25.06 37.38 33.73 26.17 36.42 35.07 25.74 37.05 3 0 9.18-999 ?-999 ?-999 ? OXT ACT A 502 mARG~A 72 32.55 26.95 38.36 33.27 27.64 38.27 30.16 26.85 38.74 29.31 26.04 39.15 31.54 26.97 39.40 31.68 28.28 40.15 2 0 -8.31-999 ?-999 ?-999 ? OXT ACT A 502s mSER~A 73 29.95 27.64 37.70 30.73 28.22 37.45 28.43 26.31 36.27 27.32 25.80 36.25 28.68 27.64 37.00 28.65 28.81 36.02 2 0 9.61-999 ?-999 ?-999 ? OXT ACT A 500 mLEU~A 74 29.47 25.73 35.68 30.34 26.23 35.76 29.04 23.33 35.96 28.26 22.42 35.67 29.31 24.47 34.97 30.54 24.17 34.13 3 0 11.43-999 ?-999 ?-999 ? OXT ACT A 500 mLYS~A 75 29.69 23.38 37.12 30.32 24.15 37.23 28.00 22.49 38.56 27.32 21.50 38.81 29.46 22.35 38.13 30.42 22.52 39.31 2 0 13.20-999 ?-999 ?-999 ? OXT ACT A 502 mGLU~A 76 27.52 23.73 38.61 28.18 24.44 38.39 25.17 23.38 37.95 24.12 22.83 38.32 26.13 23.99 38.98 25.88 25.49 39.11 2 0 14.26-999 ?-999 ?-999 ? OXT ACT A 502 mLEU~A 77 25.49 23.48 36.67 26.34 23.96 36.47 24.70 21.36 35.74 23.74 20.65 35.42 24.61 22.89 35.65 25.01 23.35 34.25 3 0 14.98-999 ?-999 ?-999 ? OXT ACT A 500 mGLU~A 78 25.87 20.87 36.17 26.55 21.57 36.37 25.14 18.89 37.36 24.59 17.80 37.20 26.12 19.43 36.33 27.57 19.20 36.79 2 0 17.42-999 ?-999 ?-999 ? OXT ACT A 500 mGLN~A 79 24.92 19.67 38.42 25.44 20.52 38.41 22.58 19.16 38.92 21.87 18.21 39.23 23.99 19.30 39.49 23.98 20.37 40.59 2 0 18.68-999 ?-999 ?-999 ? OXT ACT A 502 mLYS~A 80 22.18 20.12 38.08 22.86 20.83 37.91 20.63 19.03 36.39 19.60 18.38 36.37 20.85 20.10 37.47 20.52 21.50 36.94 2 0 19.74-999 ?-999 ?-999 ? OXT ACT A 500 mPHE~A 81 21.60 18.82 35.51 22.41 19.40 35.64 22.55 16.76 34.58 23.35 16.57 33.65 21.45 17.82 34.46 21.54 18.50 33.09 3 0 20.70-999 ?-999 ?-999 ? OXT ACT A 500 mPRO.A 82 22.60 16.04 35.71 21.89 16.27 36.38 23.89 13.98 34.84 25.00 13.47 34.74 23.62 15.01 35.95 23.15 14.36 37.26 3 0 22.31-999 ?-999 ?-999 ? OXT ACT A 500 mSER.A 83 22.89 13.68 34.02 22.03 14.16 34.19 23.45 13.37 31.63 23.79 12.70 30.66 23.10 12.70 32.96 21.85 11.84 32.77 2 0 24.36-999 ?-999 ?-999 ? OXT ACT A 500 mGLN.A 84 23.41 14.69 31.62 23.21 15.11 32.51 24.98 16.22 30.32 25.38 16.67 29.24 23.67 15.44 30.41 22.48 16.36 30.17 2 0 21.72-999 ?-999 ?-999 ? OXT ACT A 500 mILE^A 85 25.66 16.39 31.45 25.24 16.00 32.27 27.84 16.66 32.55 27.42 16.41 33.69 26.91 17.11 31.43 26.67 18.66 31.47 3 0 18.92-999 ?-999 ?-999 ? OXT ACT A 500 mARG^A 86 29.11 16.53 32.21 29.30 16.76 31.25 31.28 17.14 33.12 31.80 17.47 32.06 30.14 16.11 33.14 30.66 14.74 32.71 2 0 19.17-999 ?-999 ?-999 ? OXT ACT A 500 mVAL^A 87 31.64 17.65 34.30 31.09 17.32 35.07 33.91 17.91 35.16 33.83 17.56 36.35 32.74 18.60 34.45 32.33 19.84 35.28 3 0 16.26-999 ?-999 ?-999 ? OXT ACT A 502 mGLU^A 88 34.99 17.70 34.43 34.93 18.03 33.49 37.38 17.96 35.10 37.94 18.39 34.09 36.17 17.04 34.97 36.56 15.84 34.10 2 0 16.73-999 ?-999 ?-999 ? OXT ACT A 502 mVAL^A 89 37.76 18.26 36.33 37.18 17.88 37.05 40.05 18.07 36.79 40.00 17.27 37.73 38.93 19.09 36.58 38.76 19.93 37.87 3 0 14.20-999 ?-999 ?-999 ? CH3 ACT A 502 mILE.A 90 41.04 18.07 35.91 40.97 18.76 35.19 43.29 17.67 36.85 44.06 18.51 36.39 42.14 17.11 36.01 42.67 16.69 34.62 3 0 16.44-999 ?-999 ?-999 ? CH3 ACT A 502 mASP.A 91 43.38 17.19 38.08 42.69 16.50 38.31 45.58 16.68 39.05 45.53 15.65 39.72 44.40 17.63 39.02 43.83 17.73 40.44 2 0 15.66-999 ?-999 ?-999 ? CH3 ACT A 502 mASN.A 92 46.65 17.01 38.33 46.59 17.85 37.79 49.03 16.69 39.07 49.31 17.90 39.04 47.80 16.13 38.38 48.24 15.65 37.01 2 0 18.43-999 ?-999 ?-999 ? CH3 ACT A 502 mGLY.A 93 49.78 15.77 39.67 49.44 14.84 39.58 50.83 15.52 41.77 50.57 14.32 41.91 50.98 16.11 40.40-999.99-999.99-999.99 1 0 19.81-999 ?-999 ?-999 ? CH3 ACT A 502 mSER.A 94 50.96 16.36 42.79 51.16 17.30 42.52 51.11 17.11 45.11 52.00 16.98 45.98 50.83 15.93 44.17 51.81 14.79 44.47 2 0 19.97-999 ?-999 ?-999 ? CH3 ACT A 502 mMET.B 101 16.18 16.65 56.63 15.82 16.22 55.80 17.78 18.36 57.54 18.67 18.13 56.72 16.70 17.30 57.86 17.26 16.20 58.78 2 0 22.33-999 ?-999 ?-999 ? O ACT B 501 mILE^B 102 17.67 19.53 58.17 16.88 19.62 58.77 19.81 20.25 58.95 19.56 19.88 60.10 18.67 20.58 57.97 18.13 22.01 58.31 3 0 18.78-999 ?-999 ?-999 ? O ACT B 501 mLYS^B 103 21.04 20.38 58.47 21.09 20.68 57.52 23.12 21.31 59.37 23.64 21.77 58.35 22.20 20.10 59.29 22.94 18.89 58.73 2 0 18.50-999 ?-999 ?-999 ? O ACT B 501 mVAL^B 104 23.29 21.83 60.58 22.80 21.37 61.32 25.36 22.53 61.57 25.23 21.82 62.56 24.14 22.98 60.78 23.42 24.11 61.57 3 0 15.45-999 ?-999 ?-999 ? O ACT B 501 mTHR^B 105 26.54 22.92 61.11 26.51 23.47 60.27 28.48 23.85 62.15 28.57 24.76 61.34 27.76 22.57 61.79 28.67 21.71 60.90 2 0 16.48-999 ?-999 ?-999 ? O ACT B 501 mVAL^B 106 28.98 23.92 63.37 28.80 23.11 63.94 31.05 24.65 64.48 31.06 23.85 65.42 29.73 25.08 63.84 28.93 25.89 64.89 3 0 13.95-999 ?-999 ?-999 ? CH3 ACT B 503 mTHR.B 107 32.15 25.18 63.96 31.99 25.77 63.17 34.07 26.27 64.76 33.40 27.31 64.57 33.47 24.90 64.50 34.39 24.13 63.52 2 0 14.26-999 ?-999 ?-999 ? CH3 ACT B 503 mASN.B 108 35.33 26.30 65.19 35.75 25.40 65.29 36.52 28.27 64.24 37.09 29.36 64.33 36.01 27.56 65.48 37.16 27.32 66.45 2 0 12.96-999 ?-999 ?-999 ? CH3 ACT B 503 mSER.B 109 36.32 27.66 63.08 35.83 26.79 63.15 35.67 28.51 60.81 35.85 29.31 59.90 36.79 28.25 61.83 37.84 27.33 61.20 2 0 15.59-999 ?-999 ?-999 ? CH3 ACT B 503 mPHE^B 110 34.55 27.83 60.95 34.53 27.18 61.72 32.13 27.48 60.54 32.07 26.85 61.60 33.44 28.03 60.03 33.73 27.33 58.69 3 0 15.27-999 ?-999 ?-999 ? O ACT B 501 mPHE^B 111 31.08 27.77 59.79 31.24 28.42 59.04 29.27 26.76 58.69 29.59 27.36 57.64 29.79 27.18 60.06 28.83 28.08 60.88 3 0 13.58-999 ?-999 ?-999 ? O ACT B 501 mGLU^B 112 28.50 25.69 58.69 28.30 25.32 59.59 26.54 24.73 57.62 26.12 24.30 58.69 28.00 25.13 57.46 28.87 23.92 57.12 2 0 15.34-999 ?-999 ?-999 ? O ACT B 501 mVAL^B 113 25.78 24.88 56.54 26.26 25.26 55.75 24.13 23.67 55.31 24.55 24.03 54.21 24.37 24.52 56.55 23.45 25.76 56.47 3 0 15.39-999 ?-999 ?-999 ? O ACT B 501 mTHR^B 114 23.46 22.53 55.48 23.19 22.36 56.43 21.80 20.99 54.60 21.28 20.98 55.72 23.16 21.62 54.38 24.17 20.44 54.30 2 0 18.87-999 ?-999 ?-999 ? O ACT B 501 mGLY.B 115 21.24 20.45 53.53 21.77 20.54 52.68 18.78 20.71 53.64 18.94 21.93 53.58 19.96 19.77 53.61-999.99-999.99-999.99 1 0 21.00-999 ?-999 ?-999 ? O ACT B 501 mHIS.B 116 17.59 20.13 53.70 17.62 19.13 53.73 15.41 20.20 54.66 15.54 19.00 54.89 16.37 20.91 53.73 15.73 21.01 52.34 3 0 20.73-999 ?-999 ?-999 ? O ACT B 501 mALA.B 117 14.47 20.95 55.19 14.50 21.92 54.93 12.14 20.33 55.33 11.92 21.10 54.38 13.47 20.40 56.09 13.32 21.29 57.32 2 0 21.23-999 ?-999 ?-999 ? O ACT B 501 mPRO.B 118 11.26 19.40 55.72 11.55 18.82 56.47 9.12 20.58 55.25 8.37 21.03 54.38 9.97 19.31 55.02 9.33 18.07 55.66 3 0 24.15-999 ?-999 ?-999 ? O ACT B 501 mASP~B 119 9.27 21.14 56.44 9.91 20.66 57.04 9.17 23.60 56.19 10.30 24.00 56.52 8.55 22.34 56.84 8.59 22.47 58.36 2 0 22.10-999 ?-999 ?-999 ? O ACT B 501 mLYS~B 120 8.42 24.21 55.27 7.54 23.77 55.12 9.16 26.63 55.42 10.07 27.40 55.11 8.86 25.40 54.55 7.81 25.77 53.50 2 0 20.71-999 ?-999 ?-999 ? O ACT B 501 mTHR~B 121 8.40 26.82 56.49 7.68 26.13 56.63 10.00 27.78 58.03 10.79 28.73 58.11 8.63 27.96 57.36 7.53 28.08 58.43 2 0 18.28-999 ?-999 ?-999 ? O ACT B 501 mLEU~B 122 10.28 26.57 58.50 9.55 25.90 58.37 12.75 26.50 58.21 13.78 27.05 58.59 11.56 26.28 59.16 11.56 24.83 59.69 3 0 16.70-999 ?-999 ?-999 ? O ACT B 501 mCYH~B 123 12.60 26.04 56.97 11.72 25.59 56.80 13.95 27.64 55.70 15.11 28.05 55.74 13.62 26.18 55.95 13.14 25.59 54.62 2 0 16.70-999 ?-999 ?-999 ? O ACT B 501 mALA~B 124 12.92 28.41 55.38 12.05 27.92 55.36 13.61 30.54 56.34 14.47 31.42 56.22 13.05 29.83 55.11 11.69 30.42 54.72 2 0 15.14-999 ?-999 ?-999 ? O ACT B 501 mSER~B 125 13.15 30.15 57.53 12.47 29.41 57.50 15.11 30.52 58.98 15.85 31.44 59.34 13.62 30.79 58.74 12.80 30.34 59.96 2 0 12.48-999 ?-999 ?-999 ? O ACT B 501 mVAL~B 126 15.54 29.29 58.76 14.85 28.64 58.47 17.82 29.63 57.88 18.87 30.21 58.17 16.95 28.96 58.96 17.15 27.41 58.99 3 0 11.64-999 ?-999 ?-999 ? O ACT B 501 mSER~B 127 17.38 29.59 56.63 16.50 29.13 56.51 18.30 31.71 55.65 19.36 32.26 55.31 18.15 30.19 55.55 17.55 29.80 54.19 2 0 12.07-999 ?-999 ?-999 ? O ACT B 501 mLEU~B 128 17.27 32.40 56.12 16.46 31.86 56.37 18.32 34.18 57.36 19.25 34.97 57.20 17.35 33.84 56.23 15.99 34.45 56.54 3 0 9.92-999 ?-999 ?-999 ? O ACT B 501 mLEU~B 129 18.08 33.58 58.52 17.29 32.98 58.53 20.43 33.53 59.34 21.30 34.39 59.54 18.96 33.83 59.67 18.50 33.00 60.87 3 0 6.78-999 ?-999 ?-999 ? O ACT B 501 mTHR~B 130 20.71 32.33 58.85 19.93 31.72 58.71 22.75 32.82 57.45 23.93 33.16 57.57 22.08 31.97 58.53 22.24 30.46 58.17 2 0 7.94-999 ?-999 ?-999 ? O ACT B 501 mGLN~B 131 22.02 33.16 56.39 21.08 32.81 56.37 22.75 35.41 55.88 23.64 36.15 55.47 22.61 33.99 55.36 21.77 33.97 54.10 2 0 9.18-999 ?-999 ?-999 ? O ACT B 501 mHIS~B 132 21.86 35.80 56.79 21.16 35.13 57.02 23.35 37.24 58.03 24.09 38.17 57.75 21.97 37.12 57.37 20.86 37.36 58.39 3 0 -6.30-999 ?-999 ?-999 ? O ACT B 501s mVAL~B 133 23.68 36.29 58.89 22.98 35.59 59.02 26.14 36.19 58.58 27.16 36.89 58.71 24.97 36.30 59.58 25.03 35.14 60.63 3 0 -5.01-999 ?-999 ?-999 ? O ACT B 501s mALA~B 134 25.99 35.33 57.59 25.13 34.83 57.60 27.32 36.47 55.86 28.49 36.81 55.60 27.03 35.15 56.58 26.60 34.07 55.55 2 0 8.83-999 ?-999 ?-999 ? O ACT B 501 mASN~B 135 26.27 37.22 55.55 25.38 36.85 55.82 27.00 39.56 55.79 27.78 40.39 55.35 26.44 38.49 54.87 25.14 38.92 54.20 2 0 9.55-999 ?-999 ?-999 ? O ACT B 501 mPHE~B 136 26.60 39.53 57.06 25.94 38.82 57.27 28.62 40.30 58.16 29.38 41.28 58.18 27.11 40.48 58.06 26.45 40.22 59.41 3 0 7.29-999 ?-999 ?-999 ? OXT ACT B 501 mLEU~B 137 29.06 39.05 58.23 28.35 38.35 58.22 31.23 39.14 57.03 32.26 39.79 57.10 30.48 38.76 58.32 30.70 37.28 58.63 3 0 9.56-999 ?-999 ?-999 ? O ACT B 501 mLYS~B 138 30.70 38.74 55.88 29.83 38.25 55.95 31.53 40.52 54.34 32.54 40.95 53.79 31.37 39.03 54.61 30.65 38.38 53.43 2 0 12.63-999 ?-999 ?-999 ? O ACT B 501 mALA~B 139 30.53 41.31 54.73 29.77 40.83 55.16 31.77 43.36 55.25 32.43 44.25 54.71 30.57 42.75 54.53 29.25 43.38 55.03 2 0 12.45-999 ?-999 ?-999 ? OXT ACT B 501 mGLU~B 140 32.06 42.90 56.46 31.46 42.18 56.80 34.46 42.61 57.03 35.37 42.66 57.88 33.19 43.45 57.20 32.85 43.59 58.68 2 0 12.95-999 ?-999 ?-999 ? OXT ACT B 501 mLYS.B 141 34.53 41.86 55.94 33.71 41.90 55.36 36.11 40.12 56.78 37.29 39.98 57.07 35.69 41.04 55.64 36.87 41.94 55.25 2 0 14.91-999 ?-999 ?-999 ? O ACT A 502 mLYS.B 142 35.13 39.48 57.41 34.21 39.68 57.07 34.99 37.13 58.14 34.99 36.24 58.98 35.39 38.56 58.51 34.62 38.99 59.76 2 0 13.84-999 ?-999 ?-999 ? O ACT B 501 mALA^B 143 34.63 36.93 56.87 34.66 37.74 56.29 34.18 35.53 54.89 33.84 36.50 54.21 34.25 35.61 56.40 32.90 35.20 57.01 2 0 13.97-999 ?-999 ?-999 ? O ACT B 501 mLYS^B 144 34.52 34.36 54.36 34.84 33.68 55.01 33.29 33.13 52.80 33.21 32.18 53.58 34.43 34.13 52.93 35.74 33.57 52.38 2 0 10.90-999 ?-999 ?-999 ? O ACT A 502 mILE^B 145 32.41 33.34 51.84 32.60 34.12 51.25 31.31 31.51 50.51 31.73 31.88 49.41 31.26 32.47 51.67 29.96 33.28 51.51 3 0 11.03-999 ?-999 ?-999 ? OXT ACT A 502 mLYS^B 146 30.88 30.28 50.77 30.63 30.14 51.73 29.30 28.92 49.70 28.76 28.25 50.59 30.79 29.24 49.76 31.56 27.97 50.18 2 0 10.16-999 ?-999 ?-999 ? OXT ACT A 502 mLYS^B 147 28.62 29.41 48.67 29.17 29.94 48.03 26.88 28.28 47.33 27.28 28.56 46.20 27.19 29.18 48.53 26.45 30.51 48.39 2 0 12.17-999 ?-999 ?-999 ? OXT ACT A 502 mGLU^B 148 26.16 27.20 47.60 25.87 27.12 48.55 24.35 25.83 46.72 23.68 26.25 47.66 25.81 26.25 46.56 26.74 25.04 46.70 2 0 13.54-999 ?-999 ?-999 ? OXT ACT A 502 mSER.B 149 23.87 25.00 45.80 24.52 24.74 45.09 22.00 24.30 47.28 21.37 25.18 47.87 22.49 24.52 45.84 22.38 23.20 45.07 2 0 16.99-999 ?-999 ?-999 ? OXT ACT A 502 mGLY.B 150 22.30 23.14 47.84 22.81 22.50 47.28 23.05 22.96 50.14 23.21 22.14 51.03 21.86 22.88 49.21-999.99-999.99-999.99 1 0 19.19-999 ?-999 ?-999 ? OXT ACT A 502 mTYR^B 151 23.88 23.98 49.95 23.61 24.62 49.23 25.50 25.55 51.05 25.47 26.42 50.18 25.08 24.11 50.75 26.22 23.37 50.04 3 0 16.75-999 ?-999 ?-999 ? OXT ACT A 502 mLEU^B 152 25.90 25.76 52.30 25.83 24.96 52.89 27.54 26.82 53.75 27.40 26.05 54.71 26.40 27.05 52.76 25.29 27.87 53.44 3 0 15.80-999 ?-999 ?-999 ? OXT ACT A 502 mLYS^B 153 28.69 27.44 53.49 28.69 27.96 52.64 30.44 28.75 54.46 30.78 29.36 53.44 29.85 27.35 54.39 30.90 26.37 53.88 2 0 14.77-999 ?-999 ?-999 ? OXT ACT A 502 mVAL^B 154 30.53 29.25 55.68 30.21 28.62 56.38 32.33 30.32 56.75 32.31 29.82 57.87 31.04 30.57 56.00 30.03 31.29 56.92 3 0 13.66-999 ?-999 ?-999 ? O ACT B 501 mLYS^B 155 33.47 30.65 56.12 33.35 31.04 55.21 35.20 31.74 57.44 35.36 32.78 56.80 34.76 30.45 56.76 35.79 29.99 55.73 2 0 14.53-999 ?-999 ?-999 ? OXT ACT A 502 mPHE^B 156 35.38 31.66 58.75 35.24 30.75 59.13 37.14 33.32 59.28 38.01 32.61 58.76 35.76 32.81 59.54 35.65 32.50 61.03 3 0 14.82-999 ?-999 ?-999 ? O ACT B 501 mGLU.B 157 37.33 34.58 59.66 36.52 35.00 60.06 38.61 36.42 60.52 37.68 37.24 60.55 38.60 35.28 59.51 38.74 35.88 58.11 2 0 16.82-999 ?-999 ?-999 ? O ACT B 501 mGLU.B 158 39.65 36.45 61.34 40.29 35.69 61.21 38.62 37.90 63.14 38.29 39.09 63.23 39.86 37.49 62.35 40.45 38.74 61.67 2 0 15.78-999 ?-999 ?-999 ? CH3 ACT B 503 mLEU.B 159 37.93 36.92 63.72 38.29 36.00 63.59 37.10 37.97 65.76 38.03 37.60 66.47 36.73 37.24 64.48 35.95 35.97 64.84 3 0 12.13-999 ?-999 ?-999 ? CH3 ACT B 503 mGLU~B 160 36.36 39.04 66.04 35.65 39.25 65.37 35.41 39.55 68.14 34.53 38.76 67.79 36.59 39.80 67.24 36.73 41.29 66.92 2 0 10.96-999 ?-999 ?-999 ? CH3 ACT B 503 mASN~B 161 35.37 40.20 69.30 36.12 40.84 69.46 32.89 40.19 69.58 31.92 39.51 69.92 34.26 39.97 70.21 34.39 40.85 71.45 2 0 7.95-999 ?-999 ?-999 ? CH3 ACT B 503 mCSS~B 162 32.82 41.17 68.67 33.68 41.63 68.49 30.96 40.32 67.27 29.78 40.04 67.43 31.56 41.50 68.01 31.73 42.64 67.00 2 0 8.43-999 ?-999 ?-999 ? O ACT B 503 mGLU~B 163 31.75 39.67 66.42 32.69 40.02 66.35 31.10 37.29 66.52 30.25 36.43 66.24 31.24 38.53 65.66 32.10 38.28 64.40 2 0 8.54-999 ?-999 ?-999 ? CH3 ACT B 501 mVAL~B 164 31.89 37.20 67.58 32.53 37.96 67.69 30.41 36.04 69.15 29.72 35.03 69.11 31.80 36.06 68.49 32.88 36.10 69.59 3 0 5.94-999 ?-999 ?-999 ? CH3 ACT B 503 mLYS~B 165 30.01 37.16 69.75 30.69 37.89 69.74 27.56 37.12 69.33 26.50 36.57 69.64 28.69 37.28 70.37 28.56 38.65 71.06 2 0 -3.67-999 ?-999 ?-999 ? O ACT B 503s mVAL~B 166 27.77 37.61 68.12 28.67 38.04 68.00 26.60 36.06 66.67 25.49 35.56 66.67 26.77 37.53 67.06 27.21 38.33 65.81 3 0 4.66-999 ?-999 ?-999 ? CH3 ACT B 501 mLEU~B 167 27.71 35.41 66.34 28.54 35.96 66.35 27.08 33.18 67.14 26.29 32.27 66.93 27.69 33.99 65.98 29.12 33.52 65.67 3 0 7.03-999 ?-999 ?-999 ? O ACT B 501 mALA~B 168 27.43 33.54 68.36 28.09 34.30 68.40 25.35 32.98 69.58 24.64 32.03 69.92 26.88 32.86 69.53 27.47 33.44 70.80 2 0 -4.74-999 ?-999 ?-999 ? OXT ACT B 503s mALA~B 169 24.84 34.17 69.28 25.51 34.88 69.04 22.74 33.55 68.19 21.62 33.04 68.36 23.40 34.37 69.30 23.08 35.86 69.13 2 0 5.83-999 ?-999 ?-999 ? OXT ACT B 503 mMET~B 170 23.43 33.41 67.06 24.31 33.88 67.06 22.73 31.18 66.39 21.67 30.56 66.21 22.89 32.63 65.94 23.84 32.67 64.73 2 0 5.96-999 ?-999 ?-999 ? O ACT B 501 mVAL~B 171 23.79 30.65 66.99 24.57 31.26 67.10 22.65 29.02 68.44 21.94 28.01 68.36 23.78 29.27 67.45 25.14 28.88 68.08 3 0 8.99-999 ?-999 ?-999 ? OXT ACT B 503 mARG~B 172 22.50 29.96 69.37 23.16 30.70 69.30 20.07 29.72 69.77 19.31 28.83 70.15 21.46 29.89 70.39 21.48 31.17 71.22 2 0 -8.07-999 ?-999 ?-999 ? OXT ACT B 503s mSER~B 173 19.75 30.59 68.82 20.46 31.26 68.63 18.28 29.29 67.28 17.18 28.76 67.19 18.47 30.55 68.14 18.31 31.81 67.28 2 0 9.70-999 ?-999 ?-999 ? O ACT B 501 mLEU~B 174 19.34 28.81 66.65 20.18 29.33 66.77 18.90 26.41 66.78 18.09 25.51 66.44 19.22 27.60 65.85 20.51 27.37 65.08 3 0 11.23-999 ?-999 ?-999 ? O ACT B 501 mLYS~B 175 19.50 26.42 67.97 20.10 27.21 68.12 17.86 25.43 69.48 17.27 24.41 69.82 19.28 25.36 68.95 20.28 25.47 70.09 2 0 13.02-999 ?-999 ?-999 ? OXT ACT B 503 mGLU~B 176 17.30 26.62 69.53 17.88 27.38 69.24 15.02 26.18 68.92 13.98 25.58 69.22 15.93 26.77 69.99 15.59 28.23 70.24 2 0 14.10-999 ?-999 ?-999 ? OXT ACT B 503 mLEU~B 177 15.40 26.36 67.65 16.24 26.89 67.54 14.72 24.30 66.59 13.77 23.59 66.26 14.60 25.82 66.56 15.10 26.36 65.22 3 0 14.91-999 ?-999 ?-999 ? O ACT B 501 mGLU~B 178 15.88 23.82 67.02 16.55 24.51 67.26 15.22 21.73 68.16 14.82 20.57 68.01 16.13 22.38 67.12 17.60 22.13 67.47 2 0 17.33-999 ?-999 ?-999 ? O ACT B 501 mGLN~B 179 14.89 22.48 69.21 15.30 23.39 69.21 12.57 21.91 69.77 11.84 20.99 70.13 14.01 22.00 70.27 14.06 22.92 71.48 2 0 18.45-999 ?-999 ?-999 ? OXT ACT B 503 mLYS~B 180 12.15 22.88 68.96 12.83 23.58 68.76 10.58 21.94 67.23 9.48 21.42 67.03 10.78 22.88 68.43 10.37 24.31 68.06 2 0 19.82-999 ?-999 ?-999 ? O ACT B 501 mPHE~B 181 11.64 21.71 66.45 12.46 22.19 66.75 12.74 19.82 65.32 13.62 19.84 64.44 11.58 20.82 65.28 11.71 21.64 63.99 3 0 20.51-999 ?-999 ?-999 ? O ACT B 501 mPRO.B 182 12.76 18.93 66.33 11.99 19.00 66.97 14.09 16.95 65.35 15.20 16.45 65.22 13.83 17.94 66.48 13.50 17.25 67.81 3 0 22.13-999 ?-999 ?-999 ? O ACT B 501 mSER.B 183 13.08 16.65 64.54 12.22 17.12 64.73 13.65 16.41 62.14 14.00 15.78 61.14 13.29 15.70 63.45 12.01 14.84 63.27 2 0 24.22-999 ?-999 ?-999 ? O ACT B 501 mGLN.B 184 13.64 17.74 62.16 13.45 18.14 63.06 15.17 19.36 60.90 15.55 19.87 59.84 13.90 18.52 60.96 12.68 19.40 60.70 2 0 21.54-999 ?-999 ?-999 ? O ACT B 501 mILE^B 185 15.84 19.50 62.03 15.43 19.06 62.84 18.01 19.76 63.17 17.58 19.51 64.30 17.08 20.25 62.06 16.83 21.77 62.20 3 0 18.71-999 ?-999 ?-999 ? O ACT B 501 mARG^B 186 19.29 19.61 62.82 19.48 19.81 61.86 21.40 20.26 63.87 21.93 20.71 62.85 20.30 19.19 63.77 20.93 17.87 63.33 2 0 19.04-999 ?-999 ?-999 ? O ACT B 501 mVAL^B 187 21.74 20.67 65.08 21.22 20.26 65.83 23.96 20.97 66.01 23.78 20.49 67.13 22.81 21.65 65.26 22.34 22.89 66.06 3 0 16.15-999 ?-999 ?-999 ? OXT ACT B 503 mGLU^B 188 25.13 20.91 65.38 25.14 21.30 64.46 27.45 21.27 66.11 27.94 21.76 65.10 26.29 20.29 66.01 26.77 19.06 65.23 2 0 16.40-999 ?-999 ?-999 ? OXT ACT B 503 mVAL^B 189 27.89 21.54 67.33 27.37 21.11 68.07 30.19 21.41 67.75 30.19 20.67 68.73 29.04 22.40 67.55 28.87 23.27 68.83 3 0 13.95-999 ?-999 ?-999 ? CH3 ACT B 503 mILE.B 190 31.15 21.38 66.82 31.05 22.03 66.08 33.37 20.91 67.87 34.19 21.74 67.50 32.26 20.43 66.94 32.88 20.09 65.56 3 0 16.28-999 ?-999 ?-999 ? CH3 ACT B 503 mASP.B 191 33.38 20.36 69.08 32.65 19.68 69.22 35.69 20.03 69.87 35.89 18.91 70.33 34.36 20.72 70.10 33.86 20.32 71.49 2 0 15.52-999 ?-999 ?-999 ? CH3 ACT B 503 mASN.B 192 36.61 20.67 69.15 36.35 21.56 68.77 39.15 20.83 69.21 39.31 21.97 68.77 37.89 20.02 68.99 38.01 19.31 67.66 2 0 17.86-999 ?-999 ?-999 ? CH3 ACT B 503 mGLY.B 193 40.06 20.15 69.88 39.77 19.22 70.12 41.69 19.64 71.30 42.61 19.80 72.11 41.36 20.67 70.25-999.99-999.99-999.99 1 0 19.03-999 ?-999 ?-999 ? CH3 ACT B 503 mSER.B 194 40.89 18.58 71.25 40.22 18.65 70.51 39.74 17.53 73.08 38.83 16.68 72.96 40.93 17.42 72.13 42.22 17.37 72.95 2 0 21.10-999 ?-999 ?-999 ? CH3 ACT B 503 mMET.C 201 0.29 42.81 54.53 -0.62 42.52 54.83 2.49 43.64 55.31 2.02 44.36 56.19 1.65 43.24 54.09 1.49 44.42 53.11 2 0 22.95-999 ?-999 ?-999 ? OXT ACT B 501 mILE^C 202 3.72 43.15 55.38 3.98 42.55 54.62 5.21 44.86 56.24 5.59 45.15 55.11 4.60 43.49 56.50 5.76 42.46 56.68 3 0 19.35-999 ?-999 ?-999 ? OXT ACT B 501 mLYS^C 203 5.26 45.69 57.27 4.87 45.32 58.11 7.03 47.15 58.12 6.88 46.97 59.33 5.84 47.04 57.17 4.82 48.11 57.56 2 0 18.92-999 ?-999 ?-999 ? OXT ACT B 501 mVAL^C 204 8.21 47.44 57.58 8.21 47.55 56.59 10.00 48.97 58.29 10.41 49.38 57.19 9.40 47.58 58.42 10.49 46.56 58.04 3 0 15.69-999 ?-999 ?-999 ? OXT ACT B 501 mTHR^C 205 10.04 49.70 59.40 9.66 49.26 60.21 11.91 51.04 60.19 11.93 50.70 61.38 10.62 51.03 59.40 9.65 52.06 60.00 2 0 16.39-999 ?-999 ?-999 ? OXT ACT B 501 mVAL^C 206 13.00 51.43 59.53 12.83 51.67 58.58 14.90 52.91 60.15 15.13 53.48 59.07 14.32 51.49 60.17 15.32 50.54 59.48 3 0 14.13-999 ?-999 ?-999 ? OXT ACT B 501 mTHR.C 207 15.13 53.49 61.32 14.89 52.94 62.12 17.01 54.76 62.14 17.50 53.66 62.41 15.71 54.84 61.37 14.77 55.84 62.07 2 0 16.06-999 ?-999 ?-999 ? OXT ACT B 501 mASN.C 208 17.58 55.92 62.47 17.09 56.73 62.15 18.54 55.77 64.74 19.46 55.54 65.52 18.82 55.96 63.25 19.53 57.30 63.10 2 0 15.98-999 ?-999 ?-999 ? OXT ACT B 501 mSER.C 209 17.27 55.89 65.11 16.63 56.05 64.35 16.07 54.51 66.82 15.98 54.11 68.00 16.85 55.78 66.50 15.98 56.99 66.87 2 0 16.61-999 ?-999 ?-999 ? OXT ACT B 501 mPHE^C 210 15.48 53.89 65.80 15.61 54.31 64.91 14.30 51.93 64.80 14.51 52.37 63.67 14.69 52.69 66.05 13.39 53.04 66.76 3 0 14.70-999 ?-999 ?-999 ? OXT ACT B 501 mPHE^C 211 13.73 50.75 65.01 13.71 50.44 65.96 11.85 49.50 64.38 11.65 49.28 65.59 13.19 50.02 63.89 14.16 48.96 63.32 3 0 13.31-999 ?-999 ?-999 ? OXT ACT B 501 mGLU^C 212 10.91 49.39 63.46 11.20 49.61 62.53 9.03 47.96 62.79 9.32 48.05 61.60 9.56 48.97 63.81 8.67 50.23 63.84 2 0 15.41-999 ?-999 ?-999 ? OXT ACT B 501 mVAL^C 213 8.27 47.00 63.29 8.14 47.04 64.28 6.22 45.84 62.77 5.86 45.63 63.93 7.68 45.98 62.43 8.37 44.58 62.58 3 0 15.74-999 ?-999 ?-999 ? OXT ACT B 501 mTHR^C 214 5.38 46.01 61.76 5.83 46.22 60.90 3.36 45.10 60.74 4.02 44.95 59.70 3.93 45.88 61.92 3.24 47.27 61.94 2 0 19.29-999 ?-999 ?-999 ? OXT ACT B 501 mGLY.C 215 2.13 44.60 60.90 1.72 44.76 61.80 1.76 42.41 59.66 2.53 41.83 60.44 1.46 43.89 59.82-999.99-999.99-999.99 1 0 21.51-999 ?-999 ?-999 ? OXT ACT B 501 mHIS.C 216 1.15 41.79 58.65 0.54 42.38 58.11 1.27 40.11 56.87 0.49 40.75 56.16 1.35 40.37 58.36 0.30 39.51 59.06 3 0 21.63-999 ?-999 ?-999 ? OXT ACT B 501 mALA.C 217 2.08 39.17 56.40 2.67 38.75 57.08 1.28 37.49 54.78 1.24 36.63 55.65 2.07 38.79 54.98 3.50 38.61 54.49 2 0 22.07-999 ?-999 ?-999 ? OXT ACT B 501 mPRO.C 218 0.62 37.36 53.62 0.71 38.13 52.98 0.76 34.93 53.49 0.42 33.95 54.15 -0.15 36.15 53.34 -0.60 36.35 51.90 3 0 24.94-999 ?-999 ?-999 ? O ACT B 501 mASP~C 219 1.94 35.04 52.89 2.07 35.91 52.41 3.40 33.72 54.35 4.16 34.51 54.93 2.94 33.98 52.92 4.12 34.40 52.04 2 0 22.66-999 ?-999 ?-999 ? O ACT B 501 mLYS~C 220 2.96 32.60 54.93 2.36 32.05 54.35 4.84 32.01 56.49 5.34 32.13 57.60 3.34 32.25 56.29 2.58 31.00 56.76 2 0 21.32-999 ?-999 ?-999 ? O ACT B 501 mTHR~C 221 5.55 31.68 55.41 5.02 31.61 54.57 7.71 32.77 55.59 8.72 32.90 56.27 6.98 31.44 55.52 7.50 30.63 54.31 2 0 18.72-999 ?-999 ?-999 ? O ACT B 501 mLEU~C 222 7.18 33.77 54.88 6.36 33.53 54.36 7.50 35.69 56.24 8.36 36.31 56.84 7.78 35.09 54.88 7.18 35.99 53.78 3 0 17.36-999 ?-999 ?-999 ? O ACT B 501 mCYH~C 223 6.28 35.48 56.72 5.67 34.96 56.13 6.76 35.41 59.16 7.19 36.15 60.06 5.90 35.99 58.03 4.41 35.71 58.28 2 0 17.64-999 ?-999 ?-999 ? O ACT B 501 mALA~C 224 7.00 34.10 59.12 6.59 33.63 58.35 9.29 33.91 60.12 9.90 34.17 61.16 7.82 33.45 60.16 7.73 31.94 60.02 2 0 15.78-999 ?-999 ?-999 ? O ACT B 501 mSER~C 225 9.83 34.00 58.90 9.20 33.75 58.17 11.52 35.82 59.15 12.55 36.04 59.80 11.20 34.42 58.64 11.48 34.40 57.13 2 0 12.87-999 ?-999 ?-999 ? O ACT B 501 mVAL~C 226 10.64 36.75 58.83 9.86 36.42 58.30 10.66 38.36 60.71 11.40 39.15 61.29 10.81 38.14 59.21 9.83 39.04 58.40 3 0 12.49-999 ?-999 ?-999 ? O ACT B 501 mSER~C 227 9.73 37.66 61.35 9.18 37.04 60.78 10.75 37.25 63.53 11.19 37.83 64.54 9.56 37.83 62.78 8.23 37.23 63.28 2 0 12.98-999 ?-999 ?-999 ? O ACT B 501 mLEU~C 228 11.30 36.15 63.02 10.85 35.81 62.19 13.70 36.40 63.53 14.40 36.62 64.52 12.45 35.50 63.62 12.70 34.14 62.94 3 0 10.40-999 ?-999 ?-999 ? O ACT B 501 mLEU~C 229 13.96 36.93 62.33 13.32 36.68 61.61 15.00 39.12 62.91 15.98 39.57 63.53 15.11 37.80 62.14 15.31 38.11 60.65 3 0 7.55-999 ?-999 ?-999 ? O ACT B 501 mTHR~C 230 13.83 39.73 62.87 13.11 39.25 62.36 13.69 40.86 65.03 14.35 41.64 65.70 13.64 41.02 63.52 12.31 41.70 63.06 2 0 8.73-999 ?-999 ?-999 ? OXT ACT B 501 mGLN~C 231 13.02 39.85 65.57 12.52 39.28 64.91 14.46 39.20 67.46 14.87 39.51 68.59 13.05 39.62 67.00 12.05 38.53 67.39 2 0 9.79-999 ?-999 ?-999 ? CH3 ACT B 501 mHIS~C 232 15.19 38.52 66.59 14.74 38.36 65.71 17.48 39.25 67.08 18.32 39.31 68.02 16.54 38.06 66.93 17.06 37.12 65.85 3 0 -6.47-999 ?-999 ?-999 ? CH3 ACT B 501s mVAL~C 233 17.33 40.20 66.16 16.63 40.00 65.47 17.68 42.25 67.38 18.53 42.80 68.09 18.12 41.42 66.17 17.93 42.26 64.88 3 0 5.07-999 ?-999 ?-999 ? OXT ACT B 501 mALA~C 234 16.38 42.33 67.61 15.80 41.84 66.95 16.47 42.51 70.02 16.97 43.24 70.86 15.87 43.09 68.75 14.35 42.99 68.82 2 0 8.41-999 ?-999 ?-999 ? CH3 ACT B 501 mASN~C 235 16.42 41.18 70.14 16.00 40.71 69.37 18.44 40.67 71.52 18.91 40.83 72.66 16.94 40.50 71.32 16.57 39.01 71.29 2 0 8.20-999 ?-999 ?-999 ? CH3 ACT B 501 mPHE~C 236 19.21 40.61 70.43 18.72 40.45 69.58 20.98 42.18 71.07 21.82 42.32 71.97 20.65 40.78 70.52 21.30 40.56 69.15 3 0 5.50-999 ?-999 ?-999 ? CH3 ACT B 501 mLEU~C 237 20.32 43.20 70.53 19.68 42.93 69.81 20.11 44.75 72.42 20.80 45.42 73.21 20.53 44.58 70.97 19.72 45.55 70.10 3 0 7.77-999 ?-999 ?-999 ? CH3 ACT B 501 mLYS~C 238 18.99 44.15 72.79 18.50 43.65 72.07 19.52 43.53 75.10 19.81 44.01 76.21 18.54 44.27 74.17 17.13 43.71 74.32 2 0 10.69-999 ?-999 ?-999 ? CH3 ACT B 501 mALA~C 239 20.04 42.40 74.63 19.71 42.17 73.71 22.18 42.37 75.88 22.59 42.22 77.04 20.99 41.57 75.38 21.48 40.41 74.51 2 0 8.37-999 ?-999 ?-999 ? O ACT B 503 mGLU~C 240 22.76 43.21 75.02 22.36 43.24 74.10 23.52 45.42 75.84 24.34 46.33 75.74 23.90 44.00 75.46 25.01 43.99 74.41 2 0 8.28-999 ?-999 ?-999 ? O ACT B 503 mLYS.C 241 22.28 45.58 76.29 21.75 44.73 76.28 21.87 48.00 75.75 22.21 49.13 76.11 21.75 46.86 76.76 22.45 47.25 78.07 2 0 12.02-999 ?-999 ?-999 ? O ACT B 503 mLYS.C 242 21.57 47.70 74.50 21.30 46.75 74.35 20.25 49.02 72.89 20.13 49.72 71.89 21.64 48.69 73.43 22.49 48.17 72.27 2 0 12.19-999 ?-999 ?-999 ? CH3 ACT B 501 mALA^C 243 19.21 48.50 73.53 19.43 47.93 74.31 16.81 48.33 74.06 17.02 47.42 74.86 17.85 48.77 73.07 17.58 48.07 71.72 2 0 12.94-999 ?-999 ?-999 ? CH3 ACT B 501 mLYS^C 244 15.66 48.99 74.00 15.66 49.75 73.34 13.45 48.20 73.81 13.35 48.76 72.71 14.52 48.64 74.81 14.06 49.83 75.66 2 0 15.41-999 ?-999 ?-999 ? CH3 ACT B 501 mILE^C 245 12.69 47.17 74.17 12.86 46.83 75.09 10.23 46.79 73.71 9.90 46.65 74.89 11.68 46.63 73.27 11.94 45.10 73.02 3 0 15.27-999 ?-999 ?-999 ? CH3 ACT B 501 mLYS^C 246 9.39 47.11 72.73 9.85 47.24 71.85 7.42 46.14 72.01 7.56 46.21 70.79 7.95 47.26 72.90 7.44 48.59 72.34 2 0 18.27-999 ?-999 ?-999 ? CH3 ACT B 501 mLYS^C 247 6.81 45.12 72.60 6.72 45.21 73.60 4.84 43.73 72.13 4.43 43.58 73.29 6.31 43.98 71.84 7.14 42.74 72.19 2 0 18.16-999 ?-999 ?-999 ? CH3 ACT B 501 mGLU^C 248 4.05 43.66 71.06 4.54 43.75 70.19 2.12 42.70 69.90 2.75 42.75 68.84 2.61 43.47 71.14 1.96 44.86 71.19 2 0 21.27-999 ?-999 ?-999 ? CH3 ACT B 501 mSER.C 249 1.01 41.97 70.04 0.63 42.00 70.96 1.18 41.25 67.61 2.05 40.42 67.35 0.41 41.19 68.94 -1.01 41.68 68.67 2 0 22.59-999 ?-999 ?-999 ? OXT ACT B 501 mGLY.C 250 0.83 42.23 66.78 0.09 42.82 67.11 2.28 43.67 65.45 2.33 44.38 64.44 1.48 42.38 65.49-999.99-999.99-999.99 1 0 21.05-999 ?-999 ?-999 ? OXT ACT B 501 mTYR^C 251 2.90 43.98 66.58 2.79 43.32 67.32 5.02 44.95 67.38 5.12 44.20 68.35 3.68 45.19 66.69 2.88 46.24 67.47 3 0 19.52-999 ?-999 ?-999 ? OXT ACT B 501 mLEU^C 252 6.06 45.58 66.84 5.85 46.12 66.03 8.11 46.78 67.16 8.26 47.20 66.01 7.38 45.47 67.42 8.15 44.29 66.79 3 0 16.27-999 ?-999 ?-999 ? OXT ACT B 501 mLYS^C 253 8.51 47.45 68.23 8.24 47.04 69.10 10.55 48.54 68.97 10.49 48.29 70.18 9.28 48.69 68.12 8.47 49.90 68.59 2 0 16.14-999 ?-999 ?-999 ? OXT ACT B 501 mVAL^C 254 11.70 48.68 68.32 11.60 48.87 67.35 13.68 49.92 69.07 14.08 50.48 68.06 12.99 48.56 69.00 13.90 47.55 68.27 3 0 13.57-999 ?-999 ?-999 ? OXT ACT B 501 mLYS^C 255 13.81 50.44 70.29 13.44 49.88 71.03 15.93 51.59 70.84 16.27 51.03 71.89 14.45 51.74 70.48 13.71 52.53 71.56 2 0 15.46-999 ?-999 ?-999 ? OXT ACT B 501 mPHE^C 256 16.80 52.09 69.96 16.36 52.54 69.18 18.85 52.83 71.25 18.38 53.92 71.57 18.25 52.00 70.11 18.95 52.41 68.81 3 0 13.95-999 ?-999 ?-999 ? OXT ACT B 501 mGLU.C 257 19.92 52.31 71.85 20.22 51.42 71.48 22.09 52.81 72.85 22.59 51.67 72.85 20.60 53.00 72.94 20.14 52.47 74.30 2 0 15.60-999 ?-999 ?-999 ? CH3 ACT B 501 mGLU.C 258 22.81 53.93 72.77 22.26 54.77 72.75 24.86 52.94 71.70 25.80 52.19 72.00 24.27 53.92 72.71 24.82 53.63 74.11 2 0 16.24-999 ?-999 ?-999 ? CH3 ACT B 501 mLEU.C 259 24.32 52.93 70.48 23.57 53.58 70.34 26.31 52.29 69.15 26.75 53.44 69.07 24.84 52.03 69.47 24.03 52.14 68.18 3 0 13.29-999 ?-999 ?-999 ? OXT ACT B 501 mGLU~C 260 27.06 51.21 68.96 26.57 50.34 69.07 28.70 50.57 67.29 27.75 50.12 66.63 28.47 51.30 68.62 29.33 50.67 69.73 2 0 13.50-999 ?-999 ?-999 ? OXT ACT B 501 mASN~C 261 29.98 50.46 66.92 30.60 50.88 67.57 29.69 48.49 65.44 29.08 48.29 64.38 30.44 49.80 65.69 31.94 49.52 65.83 2 0 12.60-999 ?-999 ?-999 ? OXT ACT B 501 mCSS~C 262 29.73 47.61 66.43 30.24 47.92 67.23 27.60 46.37 65.97 27.17 45.78 64.98 29.08 46.32 66.33 29.23 45.54 67.64 2 0 9.39-999 ?-999 ?-999 ? OXT ACT B 501 mGLU~C 263 26.81 47.07 66.79 27.27 47.53 67.54 24.98 47.82 65.25 23.97 47.48 64.65 25.38 47.11 66.55 24.65 47.71 67.75 2 0 7.96-999 ?-999 ?-999 ? OXT ACT B 501 mVAL~C 264 25.78 48.79 64.81 26.58 48.98 65.37 25.67 48.57 62.37 24.96 48.68 61.37 25.46 49.48 63.58 26.30 50.79 63.44 3 0 9.62-999 ?-999 ?-999 ? OXT ACT B 501 mLYS~C 265 26.64 47.66 62.46 27.17 47.67 63.30 25.76 45.67 61.40 25.32 45.16 60.38 26.86 46.73 61.35 28.25 46.09 61.42 2 0 8.11-999 ?-999 ?-999 ? OXT ACT B 501 mVAL~C 266 25.28 45.36 62.60 25.70 45.86 63.36 22.93 44.87 62.11 22.28 44.16 61.33 24.24 44.36 62.75 24.05 44.04 64.26 3 0 -4.49-999 ?-999 ?-999 ? OXT ACT B 501s mLEU~C 267 22.58 46.12 62.43 23.21 46.57 63.05 21.45 46.84 60.38 20.48 46.52 59.68 21.37 46.74 61.90 21.20 48.15 62.50 3 0 6.66-999 ?-999 ?-999 ? OXT ACT B 501 mALA~C 268 22.60 47.27 59.88 23.30 47.50 60.56 22.65 46.05 57.75 22.14 45.99 56.62 22.82 47.41 58.44 24.20 47.97 58.16 2 0 8.72-999 ?-999 ?-999 ? OXT ACT B 501 mALA~C 269 23.06 44.97 58.40 23.48 45.15 59.29 21.41 43.25 57.81 20.92 42.65 56.85 22.90 43.66 57.81 23.74 42.62 58.55 2 0 6.66-999 ?-999 ?-999 ? OXT ACT B 501 mMET~C 270 20.69 43.59 58.87 21.20 44.08 59.59 18.58 43.97 57.79 17.72 43.37 57.12 19.28 43.26 58.95 18.67 43.71 60.28 2 0 6.26-999 ?-999 ?-999 ? OXT ACT B 501 mVAL~C 271 18.92 45.24 57.57 19.61 45.61 58.20 18.61 45.30 55.13 17.72 45.13 54.30 18.32 45.99 56.48 18.85 47.46 56.42 3 0 9.91-999 ?-999 ?-999 ? OXT ACT B 501 mARG~C 272 19.87 44.88 54.96 20.48 45.07 55.73 19.50 42.92 53.54 19.02 42.66 52.44 20.30 44.21 53.74 21.80 43.92 53.82 2 0 10.75-999 ?-999 ?-999 ? OXT ACT B 501 mSER~C 273 19.35 42.13 54.60 19.81 42.44 55.43 17.07 41.14 54.20 16.45 40.39 53.44 18.55 40.90 54.51 18.66 40.09 55.81 2 0 9.84-999 ?-999 ?-999 ? OXT ACT B 501 mLEU~C 274 16.49 42.19 54.78 17.09 42.73 55.36 14.75 43.04 53.18 13.70 42.72 52.63 15.07 42.49 54.56 14.57 43.47 55.61 3 0 11.78-999 ?-999 ?-999 ? OXT ACT B 501 mLYS~C 275 15.63 43.88 52.64 16.43 44.08 53.20 15.57 43.35 50.25 15.02 43.46 49.16 15.39 44.43 51.31 16.30 45.62 51.04 2 0 14.67-999 ?-999 ?-999 ? OXT ACT B 501 mGLU~C 276 16.32 42.31 50.58 16.74 42.37 51.49 15.15 40.51 49.50 14.79 40.07 48.41 16.51 41.19 49.66 17.50 40.17 50.23 2 0 15.11-999 ?-999 ?-999 ? OXT ACT B 501 mLEU~C 277 14.43 40.41 50.62 14.86 40.80 51.43 12.09 40.71 49.96 11.18 40.24 49.28 13.11 39.79 50.63 12.67 39.51 52.07 3 0 15.92-999 ?-999 ?-999 ? OXT ACT B 501 mGLU~C 278 12.24 42.01 50.17 13.02 42.25 50.75 11.36 42.86 48.06 10.37 43.16 47.39 11.34 42.99 49.59 11.74 44.41 50.01 2 0 17.99-999 ?-999 ?-999 ? OXT ACT B 501 mGLN~C 279 12.48 42.40 47.52 13.21 42.19 48.18 11.86 41.02 45.59 11.25 41.05 44.52 12.62 42.24 46.08 14.09 42.08 45.70 2 0 20.10-999 ?-999 ?-999 ? OXT ACT B 501 mLYS~C 280 11.90 39.96 46.38 12.41 40.10 47.23 9.76 38.69 46.32 9.01 37.99 45.65 11.26 38.70 46.04 11.95 37.57 46.80 2 0 20.81-999 ?-999 ?-999 ? OXT ACT B 501 mPHE~C 281 9.33 39.47 47.31 10.05 40.00 47.76 7.49 40.99 47.82 7.02 41.41 48.87 7.92 39.53 47.67 7.71 38.78 48.99 3 0 21.49-999 ?-999 ?-999 ? OXT ACT B 501 mPRO.C 282 7.64 41.77 46.75 8.02 41.32 45.94 5.85 43.51 47.27 5.60 44.60 47.77 7.27 43.19 46.79 7.53 43.65 45.35 3 0 22.74-999 ?-999 ?-999 ? OXT ACT B 501 mSER.C 283 4.92 42.57 47.14 5.24 41.71 46.74 3.26 42.33 48.97 2.11 42.38 49.42 3.55 42.83 47.57 2.56 42.19 46.60 2 0 24.81-999 ?-999 ?-999 ? OXT ACT B 501 mGLN.C 284 4.28 41.84 49.67 5.17 41.88 49.22 4.86 41.96 52.12 4.53 41.80 53.28 4.05 41.31 51.01 4.30 39.80 51.01 2 0 22.22-999 ?-999 ?-999 ? OXT ACT B 501 mILE^C 285 5.91 42.68 51.75 6.07 42.71 50.76 7.36 44.63 52.19 7.91 44.65 51.09 6.73 43.36 52.74 7.85 42.44 53.29 3 0 19.24-999 ?-999 ?-999 ? OXT ACT B 501 mARG^C 286 7.26 45.70 52.98 6.78 45.54 53.84 8.81 47.45 53.65 8.48 47.56 54.83 7.81 46.99 52.59 6.69 48.02 52.45 2 0 19.38-999 ?-999 ?-999 ? OXT ACT B 501 mVAL^C 287 10.03 47.72 53.21 10.15 47.60 52.23 11.49 49.61 53.85 12.03 49.95 52.80 11.10 48.16 54.11 12.34 47.26 53.94 3 0 16.63-999 ?-999 ?-999 ? OXT ACT B 501 mGLU^C 288 11.21 50.47 54.83 10.77 50.06 55.63 12.68 52.26 55.63 12.58 52.13 56.86 11.54 51.87 54.70 10.32 52.73 55.03 2 0 18.10-999 ?-999 ?-999 ? OXT ACT B 501 mVAL^C 289 13.78 52.72 55.04 13.75 52.72 54.04 14.83 54.69 55.78 15.27 55.32 54.82 14.92 53.17 55.83 16.24 52.67 55.24 3 0 16.69-999 ?-999 ?-999 ? OXT ACT B 501 mILE.C 290 14.23 55.26 56.82 13.95 54.60 57.52 15.13 57.66 56.77 15.06 58.56 55.94 13.98 56.69 56.94 13.24 57.02 58.26 3 0 19.50-999 ?-999 ?-999 ? OXT ACT B 501 mASP.C 291 16.18 57.52 57.57 16.15 56.75 58.21 18.40 57.94 56.57 18.59 56.71 56.53 17.27 58.46 57.43 17.80 58.85 58.81 2 0 19.76-999 ?-999 ?-999 ? OXT ACT B 501 mMET.D 301 10.76 39.87 22.71 9.85 39.53 22.96 12.96 40.74 23.56 12.51 41.47 24.45 12.11 40.38 22.33 11.94 41.60 21.40 2 0 22.81-999 ?-999 ?-999 ? O ACT A 500 mILE^D 302 14.18 40.21 23.61 14.41 39.61 22.84 15.79 41.79 24.41 16.28 41.99 23.29 15.08 40.49 24.72 16.16 39.38 24.91 3 0 19.16-999 ?-999 ?-999 ? O ACT A 500 mLYS^D 303 15.83 42.68 25.39 15.37 42.38 26.22 17.65 44.03 26.24 17.47 43.76 27.43 16.50 43.97 25.25 15.54 45.12 25.57 2 0 18.61-999 ?-999 ?-999 ? O ACT A 500 mVAL^D 304 18.84 44.36 25.76 18.86 44.52 24.77 20.57 45.86 26.44 20.90 46.26 25.31 20.00 44.48 26.63 21.11 43.45 26.30 3 0 15.38-999 ?-999 ?-999 ? O ACT A 500 mTHR^D 305 20.68 46.60 27.53 20.36 46.16 28.37 22.47 47.90 28.30 22.45 47.44 29.44 21.22 47.95 27.48 20.25 48.98 28.09 2 0 16.14-999 ?-999 ?-999 ? O ACT A 500 mVAL^D 306 23.57 48.36 27.72 23.44 48.70 26.79 25.45 49.75 28.37 25.61 50.32 27.30 24.85 48.35 28.41 25.82 47.33 27.76 3 0 13.90-999 ?-999 ?-999 ? O ACT A 500 mTHR.D 307 25.76 50.30 29.55 25.55 49.73 30.34 27.62 51.56 30.48 28.10 50.46 30.77 26.35 51.64 29.64 25.40 52.63 30.32 2 0 15.73-999 ?-999 ?-999 ? O ACT A 500 mASN.D 308 28.15 52.72 30.86 27.65 53.52 30.54 29.00 52.60 33.16 29.87 52.31 33.98 29.36 52.78 31.69 30.05 54.14 31.55 2 0 15.72-999 ?-999 ?-999 ? O ACT A 500 mSER.D 309 27.73 52.77 33.49 27.13 52.97 32.72 26.50 51.41 35.24 26.41 51.07 36.42 27.27 52.67 34.87 26.40 53.89 35.20 2 0 16.31-999 ?-999 ?-999 ? O ACT A 500 mPHE^D 310 25.94 50.72 34.24 26.10 51.10 33.33 24.75 48.81 33.19 24.93 49.36 32.09 25.15 49.51 34.49 23.84 49.88 35.18 3 0 14.26-999 ?-999 ?-999 ? O ACT A 500 mPHE^D 311 24.21 47.60 33.32 24.21 47.23 34.25 22.28 46.42 32.52 22.00 46.15 33.68 23.68 46.90 32.15 24.59 45.77 31.61 3 0 12.89-999 ?-999 ?-999 ? O ACT A 500 mGLU^D 312 21.38 46.38 31.54 21.72 46.63 30.63 19.46 44.99 30.82 19.66 45.12 29.62 20.01 46.00 31.82 19.14 47.26 31.84 2 0 15.06-999 ?-999 ?-999 ? O ACT A 500 mVAL^D 313 18.78 43.98 31.34 18.71 44.00 32.34 16.66 42.87 30.76 16.21 42.71 31.91 18.18 42.94 30.51 18.81 41.57 30.82 3 0 15.33-999 ?-999 ?-999 ? O ACT A 500 mTHR^D 314 15.87 43.03 29.69 16.35 43.20 28.83 13.78 42.15 28.69 14.42 41.90 27.67 14.42 42.96 29.82 13.76 44.35 29.86 2 0 18.95-999 ?-999 ?-999 ? O ACT A 500 mGLY.D 315 12.54 41.73 28.91 12.16 41.97 29.80 12.16 39.52 27.78 12.99 39.00 28.53 11.82 40.99 27.89-999.99-999.99-999.99 1 0 21.33-999 ?-999 ?-999 ? O ACT A 500 mHIS.D 316 11.51 38.86 26.83 10.85 39.42 26.32 11.67 37.17 25.08 11.00 37.88 24.31 11.72 37.44 26.57 10.67 36.58 27.28 3 0 21.43-999 ?-999 ?-999 ? O ACT A 500 mALA.D 317 12.39 36.13 24.66 12.90 35.66 25.38 11.62 34.45 23.09 11.57 33.60 23.99 12.42 35.75 23.27 13.85 35.55 22.81 2 0 21.98-999 ?-999 ?-999 ? O ACT A 500 mPRO.D 318 10.98 34.30 21.92 11.09 35.06 21.28 11.04 31.86 21.81 10.57 30.84 22.30 10.18 33.11 21.63 9.76 33.32 20.18 3 0 25.01-999 ?-999 ?-999 ? O ACT A 500 mASP~D 319 12.29 31.97 21.39 12.51 32.87 21.02 13.65 30.63 22.93 14.40 31.41 23.50 13.25 30.88 21.47 14.47 31.26 20.65 2 0 22.70-999 ?-999 ?-999 ? OXT ACT A 500 mLYS~D 320 13.16 29.55 23.52 12.58 28.98 22.94 14.97 28.98 25.19 15.44 29.18 26.32 13.48 29.25 24.92 12.64 28.07 25.42 2 0 21.42-999 ?-999 ?-999 ? OXT ACT A 500 mTHR~D 321 15.70 28.52 24.18 15.20 28.39 23.33 17.90 29.58 24.33 18.85 29.77 25.09 17.13 28.25 24.35 17.66 27.34 23.22 2 0 18.81-999 ?-999 ?-999 ? OXT ACT A 500 mLEU~D 322 17.50 30.47 23.43 16.75 30.18 22.84 17.85 32.46 24.68 18.73 33.06 25.30 18.14 31.78 23.36 17.55 32.63 22.22 3 0 17.45-999 ?-999 ?-999 ? OXT ACT A 500 mCYH~D 323 16.60 32.34 25.13 15.99 31.80 24.54 16.88 32.39 27.60 17.23 33.15 28.52 16.17 32.96 26.37 14.66 32.84 26.52 2 0 17.70-999 ?-999 ?-999 ? OXT ACT A 500 mALA~D 324 17.09 31.08 27.64 16.76 30.58 26.85 19.26 30.81 28.77 19.89 31.07 29.80 17.76 30.48 28.80 17.55 28.98 28.81 2 0 16.02-999 ?-999 ?-999 ? OXT ACT A 500 mSER~D 325 19.82 30.83 27.56 19.17 30.61 26.83 21.63 32.54 27.75 22.67 32.74 28.39 21.23 31.12 27.32 21.52 30.95 25.82 2 0 13.15-999 ?-999 ?-999 ? OXT ACT A 500 mVAL~D 326 20.81 33.51 27.38 20.00 33.21 26.87 20.92 35.14 29.22 21.69 35.89 29.84 21.10 34.90 27.71 20.18 35.88 26.91 3 0 12.44-999 ?-999 ?-999 ? O ACT A 500 mSER~D 327 19.91 34.51 29.81 19.35 33.93 29.23 20.85 34.12 32.03 21.25 34.68 33.06 19.68 34.70 31.23 18.34 34.08 31.67 2 0 12.99-999 ?-999 ?-999 ? O ACT A 500 mLEU~D 328 21.41 33.01 31.54 21.01 32.66 30.70 23.78 33.31 32.12 24.41 33.60 33.13 22.53 32.40 32.21 22.84 31.03 31.59 3 0 10.49-999 ?-999 ?-999 ? OXT ACT A 500 mLEU~D 329 24.11 33.75 30.91 23.51 33.46 30.17 25.20 35.90 31.49 26.17 36.27 32.17 25.27 34.59 30.72 25.48 34.91 29.23 3 0 7.61-999 ?-999 ?-999 ? OXT ACT A 500 mTHR~D 330 24.08 36.59 31.38 23.36 36.17 30.82 23.95 37.75 33.56 24.63 38.51 34.25 23.96 37.87 32.05 22.73 38.63 31.57 2 0 8.40-999 ?-999 ?-999 ? O ACT A 500 mGLN~D 331 23.23 36.76 34.09 22.72 36.21 33.42 24.59 36.13 36.02 24.97 36.39 37.17 23.20 36.56 35.53 22.19 35.47 35.92 2 0 9.68-999 ?-999 ?-999 ? O ACT A 500 mHIS~D 332 25.33 35.45 35.15 24.90 35.33 34.26 27.66 36.10 35.71 28.44 36.11 36.68 26.67 34.96 35.50 27.19 34.05 34.39 3 0 -6.69-999 ?-999 ?-999 ? C ACT A 500s mVAL~D 333 27.60 37.05 34.79 26.92 36.89 34.07 28.02 39.10 35.99 28.86 39.67 36.69 28.45 38.22 34.83 28.35 39.03 33.50 3 0 -4.64-999 ?-999 ?-999 ? O ACT A 500s mALA~D 334 26.70 39.19 36.21 26.14 38.67 35.57 26.65 39.46 38.62 27.10 40.23 39.46 26.15 39.99 37.30 24.63 39.93 37.29 2 0 8.29-999 ?-999 ?-999 ? O ACT A 500 mASN~D 335 26.56 38.15 38.81 26.17 37.64 38.04 28.51 37.60 40.22 29.01 37.67 41.34 27.00 37.53 40.05 26.52 36.08 40.12 2 0 8.61-999 ?-999 ?-999 ? CH3 ACT A 500 mPHE~D 336 29.24 37.58 39.11 28.72 37.51 38.26 31.06 39.04 39.69 31.94 39.17 40.54 30.69 37.66 39.17 31.32 37.39 37.78 3 0 -5.67-999 ?-999 ?-999 ? CH3 ACT A 500s mLEU~D 337 30.37 40.07 39.21 29.67 39.83 38.54 30.21 41.62 41.10 30.90 42.26 41.89 30.64 41.43 39.65 29.94 42.44 38.73 3 0 7.89-999 ?-999 ?-999 ? CH3 ACT A 500 mLYS~D 338 29.07 41.03 41.47 28.60 40.54 40.75 29.57 40.40 43.80 29.94 40.92 44.87 28.60 41.15 42.85 27.19 40.56 42.98 2 0 10.90-999 ?-999 ?-999 ? CH3 ACT A 500 mALA~D 339 29.97 39.20 43.41 29.60 38.92 42.52 32.13 39.15 44.64 32.64 38.95 45.75 30.88 38.39 44.21 31.29 37.12 43.44 2 0 8.62-999 ?-999 ?-999 ? O ACT A 502 mGLU~D 340 32.64 40.03 43.78 32.16 40.12 42.91 33.53 42.24 44.51 34.35 43.13 44.28 33.83 40.79 44.15 34.89 40.73 43.05 2 0 8.14-999 ?-999 ?-999 ? O ACT A 502 mLYS.D 341 32.35 42.45 45.09 31.80 41.62 45.18 32.08 44.85 44.49 32.50 45.97 44.79 31.90 43.76 45.54 32.66 44.14 46.82 2 0 11.90-999 ?-999 ?-999 ? O ACT A 502 mLYS.D 342 31.74 44.52 43.24 31.39 43.59 43.14 30.53 45.88 41.56 30.47 46.62 40.58 31.88 45.47 42.14 32.72 44.85 41.03 2 0 12.17-999 ?-999 ?-999 ? CH3 ACT A 500 mALA^D 343 29.45 45.39 42.16 29.62 44.80 42.94 26.99 45.33 42.58 27.10 44.37 43.36 28.12 45.73 41.66 27.90 45.09 40.28 2 0 13.06-999 ?-999 ?-999 ? CH3 ACT A 500 mLYS^D 344 25.90 46.09 42.49 26.00 46.85 41.85 23.66 45.39 42.19 23.60 45.96 41.10 24.68 45.82 43.24 24.22 47.06 44.00 2 0 15.67-999 ?-999 ?-999 ? CH3 ACT A 500 mILE^D 345 22.87 44.37 42.52 23.02 44.03 43.45 20.41 43.99 41.96 20.02 43.96 43.13 21.89 43.83 41.59 22.15 42.30 41.36 3 0 15.32-999 ?-999 ?-999 ? O ACT A 500 mLYS^D 346 19.60 44.18 40.92 20.09 44.23 40.05 17.62 43.13 40.17 17.71 43.15 38.95 18.15 44.29 41.02 17.65 45.63 40.46 2 0 17.97-999 ?-999 ?-999 ? O ACT A 500 mLYS^D 347 17.07 42.12 40.83 17.05 42.23 41.83 15.07 40.78 40.41 14.65 40.66 41.56 16.56 40.95 40.13 17.33 39.71 40.58 2 0 17.92-999 ?-999 ?-999 ? O ACT A 500 mGLU^D 348 14.29 40.77 39.33 14.79 40.87 38.47 12.41 39.77 38.20 13.15 39.68 37.22 12.84 40.63 39.40 12.21 42.02 39.32 2 0 20.96-999 ?-999 ?-999 ? O ACT A 500 mSER.D 349 11.23 39.16 38.28 10.75 39.34 39.14 11.52 38.30 35.93 12.52 37.60 35.83 10.69 38.30 37.21 9.26 38.72 36.88 2 0 22.18-999 ?-999 ?-999 ? O ACT A 500 mGLY.D 350 11.10 39.09 34.94 10.26 39.60 35.13 12.62 40.46 33.64 12.55 41.22 32.66 11.84 39.17 33.70-999.99-999.99-999.99 1 0 20.62-999 ?-999 ?-999 ? O ACT A 500 mTYR^D 351 13.40 40.73 34.69 13.40 40.04 35.41 15.47 41.88 35.53 15.52 41.38 36.66 14.16 41.97 34.75 13.28 43.08 35.32 3 0 18.89-999 ?-999 ?-999 ? O ACT A 500 mLEU^D 352 16.53 42.41 34.92 16.36 42.78 34.01 18.54 43.74 35.28 18.63 44.17 34.13 17.83 42.42 35.57 18.71 41.26 35.06 3 0 15.67-999 ?-999 ?-999 ? O ACT A 500 mLYS^D 353 19.00 44.39 36.35 18.79 43.94 37.22 20.93 45.49 37.19 20.74 45.19 38.37 19.75 45.63 36.24 18.91 46.84 36.64 2 0 15.53-999 ?-999 ?-999 ? O ACT A 500 mVAL^D 354 22.14 45.68 36.64 22.10 45.91 35.67 24.07 46.92 37.49 24.40 47.50 36.47 23.39 45.55 37.40 24.35 44.55 36.70 3 0 13.11-999 ?-999 ?-999 ? O ACT A 500 mLYS^D 355 24.27 47.41 38.71 23.97 46.82 39.45 26.35 48.58 39.28 26.65 48.03 40.32 24.89 48.73 38.89 24.14 49.51 39.97 2 0 15.04-999 ?-999 ?-999 ? O ACT A 500 mPHE^D 356 27.25 49.08 38.43 26.85 49.54 37.64 29.26 49.83 39.77 28.86 50.97 39.96 28.68 48.94 38.67 29.47 49.19 37.38 3 0 13.65-999 ?-999 ?-999 ? O ACT A 500 mGLU.D 357 30.24 49.29 40.49 30.48 48.35 40.24 32.38 49.72 41.53 32.76 48.56 41.67 30.90 50.04 41.54 30.30 49.69 42.90 2 0 15.68-999 ?-999 ?-999 ? O ACT A 500 mGLU.D 358 33.20 50.75 41.36 32.74 51.62 41.21 35.18 49.57 40.38 35.94 48.67 40.75 34.65 50.59 41.38 35.08 50.18 42.78 2 0 16.04-999 ?-999 ?-999 ? CH3 ACT A 500 mLEU.D 359 34.78 49.69 39.12 34.15 50.44 38.93 36.73 48.94 37.77 37.18 50.08 37.57 35.26 48.74 38.11 34.43 48.85 36.83 3 0 13.05-999 ?-999 ?-999 ? O ACT A 500 mGLU~D 360 37.47 47.84 37.71 36.96 47.01 37.92 39.10 47.22 35.99 38.12 46.85 35.34 38.90 47.86 37.37 39.71 47.08 38.42 2 0 13.25-999 ?-999 ?-999 ? CH3 ACT A 500 mASN~D 361 40.35 47.08 35.56 41.03 47.44 36.21 39.99 45.13 34.06 39.45 44.86 32.97 40.70 46.49 34.27 42.23 46.33 34.20 2 0 12.51-999 ?-999 ?-999 ? O ACT A 500 mCSS~D 362 39.97 44.30 35.10 40.42 44.65 35.93 37.87 43.03 34.65 37.43 42.34 33.73 39.35 42.99 34.99 39.53 42.19 36.28 2 0 9.08-999 ?-999 ?-999 ? CH3 ACT A 500 mGLU~D 363 37.10 43.82 35.38 37.58 44.35 36.08 35.29 44.57 33.83 34.28 44.21 33.20 35.66 43.89 35.14 34.96 44.57 36.32 2 0 7.81-999 ?-999 ?-999 ? O ACT A 500 mVAL~D 364 36.08 45.53 33.39 36.86 45.75 33.98 36.01 45.27 30.93 35.34 45.41 29.89 35.79 46.19 32.13 36.60 47.50 32.00 3 0 9.49-999 ?-999 ?-999 ? O ACT A 500 mLYS~D 365 36.94 44.33 31.05 37.44 44.31 31.92 36.09 42.31 29.92 35.73 41.79 28.86 37.17 43.40 29.95 38.59 42.79 30.00 2 0 8.12-999 ?-999 ?-999 ? O ACT A 500 mVAL~D 366 35.56 42.01 31.10 35.94 42.52 31.87 33.22 41.59 30.61 32.51 40.92 29.83 34.50 41.02 31.25 34.29 40.71 32.75 3 0 -4.41-999 ?-999 ?-999 ? O ACT A 500s mLEU~D 367 32.93 42.84 30.94 33.58 43.27 31.57 31.86 43.57 28.88 30.91 43.28 28.16 31.75 43.50 30.40 31.61 44.90 31.00 3 0 6.49-999 ?-999 ?-999 ? O ACT A 500 mALA~D 368 33.04 43.93 28.39 33.74 44.12 29.07 33.06 42.67 26.29 32.52 42.59 25.18 33.24 44.02 26.95 34.63 44.58 26.64 2 0 8.68-999 ?-999 ?-999 ? O ACT A 500 mALA~D 369 33.49 41.59 26.95 33.91 41.77 27.84 31.85 39.87 26.39 31.38 39.11 25.53 33.32 40.27 26.37 34.17 39.26 27.12 2 0 6.80-999 ?-999 ?-999 ? O ACT A 500 mMET~D 370 31.11 40.38 27.37 31.61 40.97 28.01 28.97 40.74 26.32 28.05 40.15 25.75 29.70 40.08 27.49 29.12 40.58 28.82 2 0 6.23-999 ?-999 ?-999 ? O ACT A 500 mVAL~D 371 29.36 41.96 25.97 30.11 42.34 26.52 29.03 41.91 23.54 28.16 41.72 22.68 28.72 42.66 24.85 29.23 44.13 24.76 3 0 9.93-999 ?-999 ?-999 ? O ACT A 500 mARG~D 372 30.29 41.50 23.42 30.87 41.73 24.20 29.92 39.52 22.05 29.40 39.26 20.96 30.77 40.77 22.25 32.23 40.38 22.49 2 0 10.85-999 ?-999 ?-999 ? O ACT A 500 mSER~D 373 29.78 38.76 23.12 30.25 39.11 23.93 27.54 37.74 22.70 26.99 36.96 21.92 29.01 37.53 23.11 29.13 36.88 24.50 2 0 9.91-999 ?-999 ?-999 ? O ACT A 500 mLEU~D 374 26.91 38.79 23.23 27.48 39.35 23.83 25.25 39.61 21.56 24.19 39.38 20.99 25.51 39.06 22.96 24.94 40.02 24.00 3 0 11.81-999 ?-999 ?-999 ? O ACT A 500 mLYS~D 375 26.22 40.33 21.01 27.03 40.47 21.58 26.13 39.74 18.66 25.44 39.77 17.66 26.07 40.87 19.67 27.13 41.93 19.41 2 0 14.65-999 ?-999 ?-999 ? O ACT A 500 mGLU~D 376 26.95 38.72 18.92 27.49 38.81 19.75 25.61 36.97 17.95 25.16 36.51 16.91 27.01 37.58 18.01 28.01 36.53 18.52 2 0 15.38-999 ?-999 ?-999 ? O ACT A 500 mLEU~D 377 24.91 36.97 19.09 25.38 37.37 19.87 22.59 37.33 18.47 21.66 36.88 17.81 23.56 36.40 19.15 23.12 36.18 20.60 3 0 15.95-999 ?-999 ?-999 ? O ACT A 500 mGLU~D 378 22.81 38.63 18.64 23.60 38.86 19.22 22.03 39.47 16.51 21.05 39.69 15.79 21.95 39.63 18.02 22.38 41.04 18.41 2 0 17.91-999 ?-999 ?-999 ? O ACT A 500 mGLN~D 379 23.22 39.11 16.04 23.93 38.99 16.74 22.70 37.68 14.15 22.18 37.66 13.03 23.46 38.92 14.62 24.95 38.76 14.35 2 0 19.97-999 ?-999 ?-999 ? O ACT A 500 mLYS~D 380 22.63 36.66 15.01 23.08 36.84 15.88 20.45 35.39 14.98 19.74 34.54 14.48 21.94 35.42 14.68 22.61 34.23 15.39 2 0 20.67-999 ?-999 ?-999 ? O ACT A 500 mPHE~D 381 19.97 36.31 15.81 20.65 36.95 16.16 18.13 37.80 16.25 17.57 38.23 17.27 18.54 36.34 16.16 18.30 35.67 17.51 3 0 21.36-999 ?-999 ?-999 ? O ACT A 500 mPRO.D 382 18.39 38.57 15.19 18.82 38.10 14.43 16.61 40.36 15.55 16.35 41.48 15.98 18.05 40.00 15.16 18.41 40.40 13.72 3 0 22.57-999 ?-999 ?-999 ? O ACT A 500 mSER.D 383 15.68 39.43 15.41 16.00 38.55 15.06 13.94 39.33 17.19 12.85 39.63 17.68 14.29 39.74 15.77 13.34 39.04 14.80 2 0 24.68-999 ?-999 ?-999 ? O ACT A 500 mGLN.D 384 14.85 38.64 17.87 15.71 38.48 17.37 15.44 38.86 20.31 15.06 38.86 21.48 14.60 38.19 19.23 14.77 36.67 19.30 2 0 22.13-999 ?-999 ?-999 ? O ACT A 500 mILE^D 385 16.58 39.43 19.94 16.80 39.34 18.97 17.99 41.37 20.31 18.35 41.40 19.12 17.40 40.11 20.92 18.56 39.21 21.47 3 0 19.06-999 ?-999 ?-999 ? O ACT A 500 mARG^D 386 18.08 42.41 21.13 17.75 42.23 22.06 19.60 44.18 21.75 19.26 44.32 22.93 18.60 43.70 20.70 17.46 44.71 20.58 2 0 19.14-999 ?-999 ?-999 ? O ACT A 500 mVAL^D 387 20.82 44.42 21.29 20.92 44.27 20.31 22.27 46.33 21.91 22.84 46.66 20.89 21.91 44.86 22.16 23.18 44.00 21.93 3 0 16.45-999 ?-999 ?-999 ? O ACT A 500 mGLU^D 388 21.92 47.20 22.86 21.45 46.80 23.64 23.27 49.06 23.71 23.03 49.09 24.92 22.23 48.62 22.71 20.95 49.44 22.86 2 0 17.98-999 ?-999 ?-999 ? O ACT A 500 mVAL^D 389 24.46 49.40 23.21 24.51 49.31 22.21 25.62 51.41 23.97 25.96 51.97 22.93 25.57 49.87 24.05 26.93 49.29 23.59 3 0 16.51-999 ?-999 ?-999 ? O ACT A 500 mILE.D 390 25.29 52.07 25.08 25.07 51.48 25.85 26.52 54.17 25.70 27.15 53.64 26.62 25.26 53.53 25.13 24.04 54.02 25.96 3 0 19.10-999 ?-999 ?-999 ? O ACT A 500 mASP.D 391 26.86 55.34 25.16 26.24 55.64 24.44 27.61 57.37 26.32 27.90 57.49 27.53 28.03 56.10 25.59 28.87 56.47 24.36 2 0 20.41-999 ?-999 ?-999 ? O ACT A 500