HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-JAN-09 3FRW COMPND PUTATIVE TRP REPRESSOR PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS OBEUM ATCC 29174; SOURCE 3 ORGANISM_TAXID: 411459; SOURCE 4 ATCC: 29174; SOURCE 5 GENE: RUMOBE_00155; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR J.OSIPIUK,L.KEIGHER,R.JEDRZEJCZAK,G.BABNIGG,A.JOACHIMIAK,MIDWEST AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 51 8 HET MSE A 88 8 HET MSE A 93 8 HET MSE B 51 8 HET MSE B 88 8 HET MSE B 93 8 HET MSE C 51 8 HET MSE C 88 8 HET MSE C 93 8 HET MSE D 51 8 HET MSE D 88 8 HET MSE D 93 8 HET MSE E 51 8 HET MSE E 88 8 HET MSE E 93 8 HET MSE F 51 8 HET MSE F 88 8 HET MSE F 93 8 HET MSE G 51 8 HET MSE G 88 8 HET MSE G 93 8 HET MSE H 51 8 HET MSE H 88 8 HET MSE H 93 8 HET ACT B 202 4 HET ACT D 203 4 HET ACT F 201 4 SITE 1 AC1 5 ASN B 37 LEU B 40 SER B 41 GLN B 44 SITE 1 AC2 6 ASP C 32 VAL C 33 HOH C 414 ARG D 45 SITE 1 AC3 3 LYS E 23 ARG F 6 ASP F 11 mILE.A 5 71.99 28.39 23.88 72.94 28.65 24.06 70.21 26.66 24.28 69.04 26.33 24.42 70.57 28.00 23.62 70.26 27.99 22.11 3 0 10.53-999 ?-999 ?-999 ? O ACT B 202 mARG.A 6 71.23 25.90 24.67 72.14 26.29 24.52 70.71 24.74 26.77 71.62 24.64 27.58 71.00 24.59 25.28 72.21 23.66 25.06 2 0 13.33-999 ?-999 ?-999 ? O ACT B 202 mTHR~A 7 69.44 24.97 27.14 68.80 25.10 26.38 67.90 24.09 28.93 67.21 23.59 28.03 69.07 25.03 28.58 68.73 26.46 29.03 2 0 12.33-999 ?-999 ?-999 ? O ACT B 202 mGLU~A 8 67.69 23.86 30.22 68.36 24.30 30.83 65.25 23.70 30.33 64.25 23.02 30.15 66.59 23.04 30.70 66.68 22.76 32.22 2 0 13.98-999 ?-999 ?-999 ? O ACT B 202 mGLU~A 9 65.21 25.02 30.21 66.07 25.50 30.36 63.64 25.42 28.37 62.48 25.23 27.96 63.93 25.65 29.87 63.91 27.15 30.28 2 0 10.98-999 ?-999 ?-999 ? O ACT B 202 mVAL~A 10 64.67 25.44 27.54 65.56 25.67 27.95 64.12 23.63 25.94 63.25 23.26 25.14 64.45 25.14 26.12 65.64 25.57 25.22 3 0 10.70-999 ?-999 ?-999 ? O ACT B 202 mASP~A 11 64.79 22.76 26.70 65.53 23.18 27.24 62.96 21.13 27.00 62.32 20.30 26.37 64.44 21.33 26.72 65.21 20.60 27.81 2 0 14.53-999 ?-999 ?-999 ? O ACT B 202 mHIS~A 12 62.46 21.92 27.95 63.10 22.59 28.33 60.12 22.16 27.27 59.14 21.44 27.04 61.09 21.81 28.41 60.86 22.72 29.62 3 0 14.51-999 ?-999 ?-999 ? O ACT B 202 mLEU~A 13 60.39 23.26 26.58 61.16 23.80 26.95 59.63 22.46 24.37 58.60 22.06 23.83 59.60 23.63 25.37 60.15 24.89 24.73 3 0 12.90-999 ?-999 ?-999 ? O ACT B 202 mPHE~A 14 60.81 21.89 24.14 61.56 22.26 24.69 60.17 19.55 23.57 59.64 18.87 22.70 60.93 20.82 23.15 62.40 20.44 22.86 3 0 15.48-999 ?-999 ?-999 ? O ACT B 202 mGLU~A 15 60.14 19.22 24.87 60.71 19.80 25.46 57.84 18.30 24.97 57.15 17.35 24.57 59.31 18.08 25.34 59.41 17.86 26.85 2 0 18.30-999 ?-999 ?-999 ? O ACT B 202 mALA~A 16 57.37 19.55 25.10 58.03 20.19 25.48 55.78 19.71 23.21 54.80 19.09 22.78 56.01 19.91 24.72 55.74 21.39 25.09 2 0 17.74-999 ?-999 ?-999 ? O ACT B 202 mILE~A 17 56.68 20.26 22.40 57.42 20.76 22.86 56.56 18.64 20.53 55.78 18.26 19.67 56.57 20.11 20.96 57.66 20.93 20.23 3 0 17.93-999 ?-999 ?-999 ? O ACT B 202 mLEU~A 18 57.41 17.82 21.15 58.01 18.26 21.81 56.16 15.61 21.26 55.97 14.54 20.74 57.44 16.39 20.88 58.68 15.73 21.55 3 0 21.00-999 ?-999 ?-999 ? O ACT B 202 mCYH.A 19 55.30 16.14 22.13 55.62 17.02 22.50 52.91 15.70 21.49 51.86 15.11 21.61 54.02 15.52 22.52 53.51 16.11 23.83 2 0 22.76-999 ?-999 ?-999 ? O ACT B 202 mLEU.A 20 53.12 16.58 20.52 54.02 17.02 20.57 52.05 15.69 18.52 53.09 15.19 18.17 52.10 16.86 19.49 52.49 18.14 18.72 3 0 23.14-999 ?-999 ?-999 ? O ACT B 202 mLYS.A 21 50.86 15.25 18.11 50.08 15.79 18.44 50.24 14.32 15.84 50.28 13.43 15.02 50.75 14.07 17.26 49.86 13.01 17.91 2 0 26.74-999 ?-999 ?-999 ? O ACT B 202 mASN~A 22 49.72 15.51 15.55 49.79 16.19 16.28 49.05 17.23 13.92 49.37 18.03 14.80 49.11 15.74 14.21 47.72 15.10 14.08 2 0 27.42-999 ?-999 ?-999 ? O ACT B 202 mLYS~A 23 48.63 17.60 12.71 48.33 16.85 12.12 47.64 19.83 13.14 47.93 20.97 13.52 48.63 19.02 12.30 48.29 19.15 10.80 2 0 26.30-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~A 24 46.49 19.26 13.43 46.37 18.34 13.05 46.06 20.31 15.61 45.89 21.45 16.07 45.49 19.94 14.25 44.23 19.09 14.42 2 0 26.68-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~A 25 46.81 19.39 16.24 46.89 18.51 15.78 48.52 20.79 17.42 48.69 21.61 18.32 47.43 19.74 17.53 47.98 18.51 18.23 2 0 24.38-999 ?-999 ?-999 ? O ACT B 202 mCYH~A 26 49.27 20.77 16.32 49.12 20.00 15.70 49.55 23.20 15.96 50.09 24.20 16.44 50.22 21.84 16.09 51.05 21.58 14.84 2 0 21.75-999 ?-999 ?-999 ? O ACT B 202 mTYR~A 27 48.42 23.28 15.24 48.13 22.43 14.79 47.27 25.00 16.54 47.54 26.14 16.94 47.72 24.55 15.14 46.55 24.49 14.15 3 0 21.98-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~A 28 46.70 24.08 17.29 46.57 23.21 16.81 47.43 24.97 19.49 47.28 26.10 19.96 46.30 24.33 18.68 45.78 23.05 19.28 2 0 21.83-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~A 29 48.54 24.25 19.63 48.51 23.37 19.15 50.43 25.92 19.79 50.56 26.91 20.47 49.69 24.68 20.40 50.68 23.52 20.56 3 0 18.70-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~A 30 50.88 25.88 18.53 50.71 25.02 18.04 50.77 28.35 17.83 51.32 29.44 17.89 51.58 27.07 17.98 52.33 26.77 16.68 3 0 16.63-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~A 31 49.47 28.26 17.60 49.11 27.34 17.45 48.64 30.08 19.02 48.57 31.31 19.16 48.67 29.47 17.60 47.24 29.18 17.10 2 0 17.66-999 ?-999 ?-999 ? OXT ACT B 202 mASP~A 32 48.69 29.26 20.06 48.68 28.28 19.82 50.11 30.46 21.74 50.15 31.57 22.28 48.73 29.81 21.43 48.40 28.77 22.49 2 0 16.23-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~A 33 51.20 29.82 21.30 50.99 29.03 20.72 53.15 31.37 20.76 53.91 32.21 21.25 52.57 30.27 21.65 53.53 29.05 21.65 3 0 12.77-999 ?-999 ?-999 ? OXT ACT B 202 mCYH~A 34 52.81 31.39 19.47 52.15 30.68 19.21 52.38 33.36 18.10 51.19 33.12 18.11 53.37 32.35 18.53 53.85 31.65 17.25 2 0 12.34-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~A 35 52.85 34.49 17.61 53.83 34.63 17.73 51.77 34.94 15.50 52.51 34.06 15.03 51.94 35.43 16.97 52.58 36.84 16.89 2 0 13.49-999 ?-999 ?-999 ? OXT ACT B 202 mILE~A 36 50.81 35.52 14.80 50.28 36.18 15.33 51.81 35.48 12.53 52.27 34.62 11.77 50.57 35.19 13.37 49.36 35.99 12.83 3 0 16.86-999 ?-999 ?-999 ? OXT ACT B 202 mASN~A 37 52.38 36.67 12.72 51.92 37.25 13.39 54.76 36.16 12.27 55.50 35.84 11.33 53.58 37.08 12.00 53.95 38.54 12.25 2 0 15.79-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~A 38 54.92 35.69 13.52 54.24 36.02 14.19 55.85 33.43 13.12 56.77 32.88 12.52 56.03 34.76 13.81 56.19 34.49 15.33 2 0 13.18-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~A 39 54.65 32.88 13.21 53.97 33.40 13.73 54.54 31.67 11.02 55.08 30.75 10.36 54.42 31.59 12.58 53.04 31.07 13.02 3 0 15.91-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~A 40 54.04 32.74 10.46 53.56 33.36 11.08 55.67 33.19 8.60 56.04 32.76 7.50 54.20 32.97 9.02 53.33 34.12 8.54 3 0 18.53-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 41 56.51 33.82 9.44 56.10 34.15 10.29 58.64 32.64 9.07 59.43 32.37 8.20 57.94 33.98 9.08 58.69 34.95 10.00 2 0 16.41-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~A 42 58.34 31.81 10.06 57.72 32.17 10.76 58.48 29.62 8.87 59.30 28.92 8.31 58.88 30.46 10.10 58.41 29.72 11.36 3 0 16.16-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 43 57.19 29.64 8.53 56.60 30.19 9.12 57.34 29.47 6.08 57.73 28.70 5.20 56.69 28.93 7.38 55.17 29.13 7.30 2 0 19.88-999 ?-999 ?-999 ? CH3 ACT B 202 mGLN~A 44 57.43 30.80 5.98 56.97 31.31 6.70 59.61 30.90 4.77 60.04 30.51 3.67 58.15 31.41 4.88 58.08 32.94 4.92 2 0 20.70-999 ?-999 ?-999 ? CH3 ACT B 202 mARG~A 45 60.37 30.88 5.86 59.92 31.26 6.67 61.82 28.90 5.34 62.70 28.53 4.57 61.76 30.33 5.81 62.47 30.46 7.14 2 0 19.29-999 ?-999 ?-999 ? CH3 ACT B 202 mPHE~A 46 60.83 28.12 5.76 60.11 28.58 6.28 60.54 26.47 3.96 61.20 25.61 3.32 60.83 26.72 5.46 59.80 26.00 6.34 3 0 21.25-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~A 47 59.60 27.25 3.40 59.09 27.82 4.04 60.58 27.78 1.18 60.99 27.20 0.17 59.37 27.22 1.96 58.08 27.93 1.54 2 0 24.40-999 ?-999 ?-999 ? CH3 ACT B 202 mVAL~A 48 61.16 28.89 1.65 60.68 29.32 2.42 63.50 28.30 1.03 64.10 28.07 0.00 62.42 29.38 1.04 62.94 30.68 1.70 3 0 23.99-999 ?-999 ?-999 ? CH3 ACT B 202 mALA~A 49 63.71 27.64 2.17 63.16 27.96 2.93 64.45 25.45 1.25 65.40 25.00 0.60 64.67 26.53 2.30 64.63 25.93 3.71 2 0 23.77-999 ?-999 ?-999 ? CH3 ACT B 202 mLYS~A 50 63.21 25.04 1.10 62.56 25.45 1.74 63.20 24.49 -1.34 63.81 23.72 -2.09 62.81 24.07 0.09 61.30 23.93 0.14 2 0 26.93-999 ?-999 ?-999 ? CH3 ACT B 202 mMETA 51 62.79 25.70 -1.72 62.29 26.20 -1.01 64.57 26.43 -3.26 65.08 26.17 -4.33 63.06 26.23 -3.06 62.28 27.52 -3.34 2 0 28.86-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~A 52 65.28 26.88 -2.23 64.75 27.14 -1.43 67.37 25.61 -2.61 68.24 25.49 -3.48 66.74 26.97 -2.33 67.36 27.62 -1.10 3 0 27.93-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~A 53 66.91 24.59 -1.90 66.21 24.86 -1.23 67.12 22.71 -3.51 67.89 21.90 -4.03 67.38 23.22 -2.09 66.72 22.29 -1.06 2 0 29.30-999 ?-999 ?-999 ? CH3 ACT B 202 mASP~A 54 66.04 23.23 -4.11 65.52 23.85 -3.53 66.25 23.89 -6.51 65.77 23.97 -7.65 65.65 22.92 -5.48 64.11 22.95 -5.61 2 0 32.36-999 ?-999 ?-999 ? CH3 ACT B 202 mLYS.A 55 67.27 24.65 -6.11 67.50 24.52 -5.15 67.11 26.63 -7.74 67.38 27.00 -8.86 67.97 25.58 -7.02 68.83 24.82 -8.03 2 0 30.79-999 ?-999 ?-999 ? OXT ACT D 203 mARG.A 56 66.07 27.11 -7.08 65.90 26.70 -6.19 65.98 29.50 -7.41 66.65 29.65 -6.40 65.27 28.18 -7.65 63.89 28.16 -7.00 2 0 32.55-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~A 57 65.86 30.43 -8.34 65.27 30.17 -9.10 65.90 32.58 -7.16 64.76 32.35 -6.76 66.54 31.72 -8.24 66.50 32.49 -9.58 2 0 32.42-999 ?-999 ?-999 ? CH3 ACT B 202 mTYR~A 58 66.64 33.58 -6.69 67.55 33.65 -7.10 64.86 35.16 -6.18 63.85 35.30 -5.45 66.13 34.47 -5.65 67.20 35.48 -5.25 3 0 29.50-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~A 59 64.93 35.55 -7.45 65.84 35.44 -7.84 62.54 35.23 -8.08 61.53 35.70 -7.58 63.80 36.09 -8.20 64.17 36.25 -9.69 3 0 31.95-999 ?-999 ?-999 ? CH3 ACT B 202 mASP~A 60 62.62 33.97 -8.52 63.50 33.73 -8.93 61.04 32.82 -6.96 59.85 32.62 -6.71 61.51 33.03 -8.40 61.90 31.70 -9.00 2 0 32.51-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~A 61 61.99 32.86 -6.02 62.91 33.02 -6.37 60.91 33.90 -4.03 59.88 33.73 -3.36 61.66 32.69 -4.61 62.94 32.31 -3.77 3 0 28.81-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 62 61.44 35.10 -4.24 62.34 35.08 -4.69 59.31 36.34 -4.36 58.37 36.54 -3.59 60.75 36.31 -3.85 61.48 37.54 -4.36 2 0 27.87-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~A 63 59.16 36.12 -5.66 60.02 35.92 -6.14 56.89 35.15 -5.73 55.74 35.49 -5.46 57.85 36.18 -6.32 58.00 36.01 -7.84 2 0 30.84-999 ?-999 ?-999 ? CH3 ACT B 202 mLYS~A 64 57.35 33.93 -5.48 58.32 33.80 -5.69 56.14 33.07 -3.44 54.99 32.86 -3.04 56.48 32.89 -4.93 57.07 31.49 -5.16 2 0 30.09-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~A 65 57.14 33.45 -2.64 57.99 33.66 -3.13 56.91 34.96 -0.67 56.58 35.16 0.49 57.00 33.53 -1.19 58.21 32.91 -0.46 2 0 26.31-999 ?-999 ?-999 ? CH3 ACT B 202 mGLY~A 66 57.26 35.96 -1.47 57.43 35.70 -2.42 58.63 37.61 -0.08 58.80 38.76 0.36 57.39 37.31 -0.93-999.99-999.99-999.99 1 0 25.74-999 ?-999 ?-999 ? CH3 ACT B 202 mALA.A 67 59.50 36.62 0.14 59.26 35.74 -0.27 61.64 37.89 0.34 61.84 37.91 -0.87 60.71 36.85 0.94 61.46 35.57 1.15 2 0 23.14-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 68 62.21 38.74 1.20 61.86 38.67 2.13 64.55 38.95 0.49 64.76 37.81 0.90 63.25 39.68 0.78 63.51 40.71 1.88 2 0 23.16-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~A 69 65.45 39.62 -0.20 65.15 40.51 -0.55 67.48 38.73 0.90 68.16 37.71 0.98 66.78 39.06 -0.42 67.61 40.00 -1.26 2 0 24.33-999 ?-999 ?-999 ? CH3 ACT B 202 mALA~A 70 67.30 39.58 1.92 66.72 40.36 1.70 67.37 38.08 3.84 68.14 37.31 4.40 67.89 39.36 3.24 67.63 40.52 4.18 2 0 20.87-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~A 71 66.07 37.85 3.72 65.54 38.57 3.27 66.04 35.41 3.54 66.43 34.46 4.20 65.50 36.63 4.22 63.96 36.64 4.16 2 0 19.51-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~A 72 66.07 35.46 2.22 65.72 36.31 1.83 68.04 34.06 1.72 68.41 32.91 1.82 66.57 34.35 1.43 66.36 34.63 -0.05 3 0 22.50-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 73 68.86 35.11 1.84 68.42 35.99 1.69 70.52 34.29 3.52 71.35 33.40 3.62 70.29 34.96 2.17 71.00 36.30 2.14 2 0 22.32-999 ?-999 ?-999 ? CH3 ACT B 202 mARG~A 74 69.76 34.70 4.53 69.17 35.48 4.33 69.43 32.55 5.77 70.13 31.72 6.37 69.80 34.03 5.83 68.91 34.77 6.84 2 0 18.79-999 ?-999 ?-999 ? CH3 ACT B 202 mVAL~A 75 68.37 32.21 5.04 67.88 32.96 4.61 69.13 30.03 4.25 69.52 28.94 4.67 68.01 30.78 4.94 66.69 30.54 4.18 3 0 20.00-999 ?-999 ?-999 ? CH3 ACT B 202 mASN~A 76 69.65 30.64 3.18 69.20 31.49 2.92 72.01 29.83 3.36 72.64 28.76 3.27 70.79 30.06 2.47 71.17 30.90 1.26 2 0 23.10-999 ?-999 ?-999 ? CH3 ACT B 202 mARG~A 77 72.33 30.82 4.20 71.76 31.63 4.11 73.19 29.48 6.06 74.13 28.70 6.32 73.43 30.70 5.15 73.56 32.00 5.97 2 0 21.38-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 78 71.94 29.27 6.48 71.29 29.97 6.17 71.78 26.80 6.63 72.30 25.85 7.24 71.56 28.13 7.32 70.10 28.24 7.76 2 0 19.76-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~A 79 71.40 26.72 5.35 70.99 27.56 5.00 73.06 25.15 4.36 73.41 23.97 4.37 71.58 25.50 4.55 70.96 25.68 3.16 3 0 23.29-999 ?-999 ?-999 ? CH3 ACT B 202 mASN~A 80 73.88 26.17 4.14 73.43 27.06 4.16 76.18 25.69 5.12 77.10 24.89 5.03 75.31 26.02 3.88 75.82 27.31 3.27 2 0 22.60-999 ?-999 ?-999 ? OXT ACT D 203 mTYR~A 81 75.88 26.35 6.24 75.00 26.83 6.22 76.14 25.90 8.68 76.80 25.90 9.71 76.79 26.35 7.39 77.43 27.73 7.60 3 0 21.92-999 ?-999 ?-999 ? OXT ACT D 203 mGLY~A 82 74.87 25.47 8.61 74.52 25.43 7.67 74.18 23.61 10.17 75.20 22.98 9.96 74.09 25.08 9.79-999.99-999.99-999.99 1 0 20.47-999 ?-999 ?-999 ? CH3 ACT B 202 mASN.A 83 73.08 23.07 10.71 72.28 23.66 10.66 72.60 20.63 10.41 72.46 19.48 10.84 73.09 21.73 11.32 72.15 21.71 12.55 2 0 21.24-999 ?-999 ?-999 ? CH3 ACT B 202 mASP~A 84 72.28 21.00 9.17 72.58 21.92 8.94 70.16 19.74 8.75 69.71 18.64 8.45 71.55 20.14 8.24 72.36 18.91 7.87 2 0 23.75-999 ?-999 ?-999 ? CH3 ACT B 202 mGLY~A 85 69.51 20.61 9.51 70.00 21.47 9.66 67.08 20.31 9.00 66.22 19.43 8.97 68.17 20.32 10.06-999.99-999.99-999.99 1 0 21.70-999 ?-999 ?-999 ? CH3 ACT B 202 mTYR~A 86 67.16 21.27 8.08 67.88 21.95 8.23 66.37 20.01 6.13 65.38 19.36 5.85 66.26 21.30 6.94 66.64 22.48 6.06 3 0 22.92-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~A 87 67.59 19.67 5.74 68.29 20.34 5.98 67.30 17.20 5.77 66.64 16.37 5.15 67.88 18.42 5.04 69.40 18.29 4.78 2 0 26.42-999 ?-999 ?-999 ? CH3 ACT B 202 mMETA 88 67.53 17.11 7.08 68.09 17.85 7.44 65.47 15.88 7.73 64.97 14.82 7.41 67.00 16.00 7.89 67.39 16.19 9.37 2 0 26.26-999 ?-999 ?-999 ? CH3 ACT B 202 mVAL~A 89 64.74 16.99 7.89 65.26 17.82 8.10 62.83 16.68 6.28 61.90 15.90 6.03 63.28 16.90 7.74 62.50 18.04 8.43 3 0 25.60-999 ?-999 ?-999 ? CH3 ACT B 202 mPHE~A 90 63.48 17.33 5.32 64.17 17.98 5.64 63.22 15.57 3.58 62.27 15.01 3.04 63.15 17.07 3.90 64.05 17.87 2.92 3 0 28.04-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~A 91 64.34 14.94 3.93 65.02 15.54 4.35 63.36 12.67 4.24 62.75 11.91 3.49 64.53 13.50 3.73 65.83 13.04 4.40 2 0 30.73-999 ?-999 ?-999 ? CH3 ACT B 202 mARG~A 92 63.04 12.82 5.53 63.64 13.48 6.00 60.54 12.33 5.61 59.73 11.41 5.58 61.93 12.11 6.18 61.87 12.47 7.65 2 0 30.45-999 ?-999 ?-999 ? CH3 ACT B 202 mMETA 93 60.26 13.56 5.21 60.96 14.25 5.40 58.86 13.17 3.17 57.75 12.90 2.70 58.99 13.84 4.55 58.74 15.34 4.45 2 0 30.50-999 ?-999 ?-999 ? CH3 ACT B 202 mLYS~A 94 60.00 12.92 2.52 60.82 13.21 3.00 59.74 10.76 1.39 59.07 10.15 0.57 60.00 12.25 1.22 61.30 12.51 0.44 2 0 33.67-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~A 95 60.25 10.19 2.47 60.73 10.82 3.08 58.70 8.43 3.23 58.17 7.36 2.91 60.09 8.76 2.74 61.11 8.28 3.77 2 0 35.37-999 ?-999 ?-999 ? CH3 ACT B 202 mLYS~A 96 58.13 9.33 4.02 58.74 10.05 4.35 55.92 9.22 3.07 54.97 8.44 2.92 56.73 9.23 4.37 56.30 10.38 5.28 2 0 34.67-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~A 97 56.33 10.06 2.11 57.10 10.64 2.39 55.85 8.83 0.00 54.85 8.29 -0.49 55.71 10.14 0.79 56.28 11.32 0.00 2 0 36.35-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~A 98 57.08 8.33 -0.13 57.81 8.95 0.19 56.77 5.90 0.21 55.64 5.43 0.01 57.34 7.00 -0.69 58.86 6.74 -0.91 2 0 39.26-999 ?-999 ?-999 ? CH3 ACT B 202 mGLY.B 2 42.99 40.06 8.50 42.28 40.01 9.19 44.82 38.84 7.21 44.31 37.93 6.56 44.07 40.14 7.45-999.99-999.99-999.99 1 0 25.67-999 ?-999 ?-999 ? OXT ACT B 202 mLYS.B 3 46.06 38.76 7.71 46.36 39.58 8.18 46.40 36.43 8.48 45.94 36.69 9.59 46.88 37.55 7.55 48.35 37.86 7.85 2 0 23.47-999 ?-999 ?-999 ? OXT ACT B 202 mLYS.B 4 46.52 35.20 8.01 47.00 35.14 7.13 47.02 32.89 8.70 47.75 32.74 7.73 46.00 34.03 8.72 44.64 33.58 8.13 2 0 23.48-999 ?-999 ?-999 ? OXT ACT B 202 mILE.B 5 47.06 32.10 9.77 46.40 32.34 10.48 47.60 29.68 9.19 48.42 28.80 8.98 48.03 30.99 9.87 48.39 30.69 11.33 3 0 21.93-999 ?-999 ?-999 ? OXT ACT B 202 mARG.B 6 46.31 29.53 8.87 45.72 30.31 9.11 46.10 28.36 6.74 45.37 28.99 6.00 45.82 28.31 8.23 44.33 28.13 8.48 2 0 25.38-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~B 7 47.18 27.69 6.33 47.65 27.20 7.06 48.36 26.38 4.66 48.82 25.72 5.60 47.63 27.68 4.93 48.66 28.82 4.63 2 0 26.81-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~B 8 48.52 26.06 3.38 48.12 26.71 2.73 50.71 24.88 3.39 51.28 23.85 3.75 49.23 24.86 2.97 49.04 24.62 1.46 2 0 28.57-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~B 9 51.33 26.06 3.37 50.75 26.81 3.05 52.93 26.00 5.30 53.94 25.44 5.74 52.73 26.22 3.77 53.24 27.61 3.36 2 0 25.61-999 ?-999 ?-999 ? CH3 ACT B 202 mVAL~B 10 51.97 26.44 6.12 51.22 26.94 5.69 51.88 24.67 7.81 52.56 24.08 8.64 52.10 26.17 7.56 51.20 27.11 8.40 3 0 23.14-999 ?-999 ?-999 ? CH3 ACT B 202 mASP~B 11 50.95 24.06 7.07 50.42 24.67 6.48 52.03 21.86 6.89 52.35 20.95 7.67 50.73 22.62 7.11 49.71 22.17 6.06 2 0 25.99-999 ?-999 ?-999 ? CH3 ACT B 202 mHIS~B 12 52.78 22.21 5.83 52.41 22.95 5.27 55.08 21.79 6.66 55.79 20.89 7.02 54.05 21.54 5.54 54.66 21.93 4.16 3 0 26.07-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~B 13 55.17 23.02 7.17 54.61 23.71 6.72 55.72 22.34 9.50 56.63 21.77 10.12 56.06 23.29 8.30 55.98 24.78 8.74 3 0 22.30-999 ?-999 ?-999 ? CH3 ACT B 202 mPHE~B 14 54.42 22.17 9.81 53.80 22.70 9.24 54.33 19.78 10.63 54.71 19.05 11.56 53.99 21.24 10.90 52.50 21.39 11.22 3 0 22.89-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~B 15 54.21 19.35 9.37 53.76 20.00 8.75 56.17 17.88 9.31 56.58 16.83 9.80 54.70 18.03 8.98 54.57 17.80 7.47 2 0 25.93-999 ?-999 ?-999 ? CH3 ACT B 202 mALA~B 16 56.97 18.90 9.05 56.54 19.70 8.64 58.55 18.64 10.89 59.28 17.76 11.36 58.40 18.79 9.37 59.16 19.99 8.86 2 0 23.93-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~B 17 57.85 19.46 11.66 57.26 20.09 11.16 57.56 18.08 13.66 58.21 17.52 14.54 57.98 19.43 13.13 57.24 20.64 13.80 3 0 21.46-999 ?-999 ?-999 ? O ACT B 202 mLEU~B 18 56.51 17.51 13.08 56.15 18.00 12.29 56.93 15.09 13.34 56.78 14.08 13.99 55.96 16.26 13.58 54.58 15.95 12.97 3 0 24.32-999 ?-999 ?-999 ? O ACT B 202 mCYH.B 19 57.91 15.23 12.43 57.87 16.12 11.97 60.03 14.14 13.20 60.81 13.17 13.24 58.93 14.22 12.13 59.63 14.56 10.81 2 0 25.97-999 ?-999 ?-999 ? O ACT B 202 mLEU.B 20 60.16 15.20 13.99 59.45 15.90 13.87 61.00 14.28 16.04 59.87 14.18 16.52 61.26 15.31 14.95 61.35 16.72 15.56 3 0 23.30-999 ?-999 ?-999 ? O ACT B 202 mLYS.B 21 62.04 13.53 16.40 62.92 13.84 16.03 62.40 12.51 18.70 61.97 11.79 19.60 61.88 12.35 17.28 62.47 11.10 16.63 2 0 25.00-999 ?-999 ?-999 ? O ACT B 202 mASN~B 22 63.31 13.46 18.94 63.56 14.01 18.14 64.36 15.07 20.42 64.29 15.85 19.46 63.85 13.65 20.28 64.96 12.64 20.58 2 0 22.82-999 ?-999 ?-999 ? O ACT B 202 mLYS~B 23 64.86 15.41 21.58 64.95 14.66 22.24 66.44 17.19 20.99 66.53 18.33 20.62 65.26 16.80 21.84 65.61 17.04 23.31 2 0 19.45-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 24 67.36 16.25 20.72 67.17 15.37 21.15 68.10 16.95 18.47 68.65 17.88 17.92 68.53 16.52 19.86 69.46 15.30 19.74 2 0 20.70-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 25 67.12 16.25 17.91 66.79 15.48 18.45 65.87 17.97 16.61 65.89 18.67 15.59 66.61 16.59 16.60 65.72 15.46 16.08 2 0 21.45-999 ?-999 ?-999 ? O ACT B 202 mCYH~B 26 65.26 18.35 17.74 65.24 17.65 18.45 65.75 20.84 17.90 65.57 21.87 17.24 64.69 19.71 17.90 63.87 19.78 19.19 2 0 17.92-999 ?-999 ?-999 ? O ACT B 202 mTYR~B 27 66.84 20.66 18.64 66.83 19.84 19.21 68.44 21.74 17.16 68.60 22.85 16.65 67.93 21.63 18.58 69.08 21.27 19.52 3 0 16.36-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~B 28 68.64 20.61 16.50 68.42 19.79 17.03 68.24 21.34 14.17 68.72 22.14 13.38 69.15 20.58 15.13 69.28 19.14 14.67 2 0 18.90-999 ?-999 ?-999 ? CH3 ACT B 202 mPHE~B 29 66.94 21.09 14.24 66.68 20.44 14.96 65.73 23.18 13.76 65.89 24.08 12.95 65.98 21.71 13.36 64.65 20.95 13.35 3 0 18.37-999 ?-999 ?-999 ? CH3 ACT B 202 mPHE~B 30 65.34 23.41 15.00 65.31 22.61 15.61 66.14 25.74 15.43 65.90 26.94 15.28 64.98 24.74 15.41 64.18 24.74 16.74 3 0 14.68-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~B 31 67.38 25.27 15.57 67.46 24.29 15.74 68.70 26.66 14.00 69.21 27.76 13.76 68.49 26.20 15.46 69.79 25.65 16.05 2 0 13.97-999 ?-999 ?-999 ? CH3 ACT B 202 mASP~B 32 68.30 25.83 13.05 67.92 24.97 13.39 67.36 27.20 11.22 67.66 28.15 10.50 68.41 26.18 11.63 68.33 24.93 10.73 2 0 16.52-999 ?-999 ?-999 ? CH3 ACT B 202 mVAL~B 33 66.14 27.00 11.69 66.09 26.27 12.38 64.75 29.03 12.09 64.19 30.01 11.58 65.00 27.77 11.24 63.72 26.89 11.04 3 0 15.43-999 ?-999 ?-999 ? CH3 ACT B 202 mCYH~B 34 65.21 29.03 13.36 65.65 28.17 13.64 66.38 30.90 14.59 67.41 30.25 14.66 65.06 30.23 14.23 64.40 29.88 15.57 2 0 11.57-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~B 35 66.33 32.20 14.89 65.49 32.68 14.65 67.54 32.38 17.00 66.56 31.81 17.53 67.49 32.83 15.52 67.41 34.36 15.49 2 0 9.52-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~B 36 68.65 32.65 17.65 69.37 33.06 17.10 67.69 33.09 19.87 67.04 32.51 20.74 68.77 32.35 19.07 70.19 32.65 19.61 3 0 7.60-999 ?-999 ?-999 ? CH3 ACT B 202 mASN~B 37 67.50 34.38 19.55 68.08 34.70 18.80 65.08 34.75 20.05 64.27 34.87 20.97 66.53 35.22 20.24 66.67 36.70 19.83 2 0 -4.22-999 ?-999 ?-999 ? CH3 ACT B 202s mGLU~B 38 64.76 34.22 18.88 65.50 34.20 18.21 63.16 32.46 19.47 62.10 32.30 20.08 63.42 33.73 18.64 63.22 33.40 17.17 2 0 6.11-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~B 39 64.16 31.59 19.54 65.01 31.86 19.10 63.88 30.61 21.73 63.03 30.08 22.41 63.94 30.33 20.22 65.03 29.29 19.84 3 0 7.43-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~B 40 64.73 31.49 22.22 65.41 31.83 21.56 63.37 32.62 23.94 62.83 32.40 25.03 64.68 31.92 23.60 65.88 32.78 23.95 3 0 -4.51-999 ?-999 ?-999 ? O ACT B 202s mSER~B 41 62.82 33.41 23.02 63.38 33.53 22.20 60.41 32.98 23.36 59.54 33.07 24.23 61.50 34.03 23.23 61.15 35.00 22.08 2 0 -3.79-999 ?-999 ?-999 ? C ACT B 202s mLEU~B 42 60.42 31.99 22.51 61.13 32.05 21.80 59.56 30.13 23.96 58.54 29.84 24.60 59.45 30.91 22.63 59.65 29.89 21.50 3 0 7.26-999 ?-999 ?-999 ? O ACT B 202 mSER~B 43 60.79 29.80 24.35 61.53 30.07 23.73 60.59 29.93 26.83 60.08 29.39 27.82 61.01 29.10 25.62 62.47 28.63 25.75 2 0 7.27-999 ?-999 ?-999 ? O ACT B 202 mGLN~B 44 60.83 31.25 26.77 61.30 31.57 25.95 58.86 32.12 27.97 58.32 32.07 29.07 60.39 32.13 27.84 60.93 33.57 27.59 2 0 -5.46-999 ?-999 ?-999 ? O ACT B 202s mARG~B 45 58.14 32.17 26.84 58.66 32.21 25.99 56.17 30.87 27.52 55.24 30.86 28.29 56.67 32.17 26.92 56.03 32.34 25.53 2 0 8.11-999 ?-999 ?-999 ? O ACT B 202 mPHE~B 46 56.79 29.76 27.16 57.55 29.91 26.52 56.62 28.34 29.19 55.80 27.83 29.96 56.37 28.46 27.67 57.10 27.34 26.89 3 0 10.65-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 47 57.77 28.82 29.65 58.40 29.11 28.92 57.06 29.80 31.82 56.58 29.42 32.89 58.08 28.89 31.08 59.52 29.42 31.30 2 0 10.47-999 ?-999 ?-999 ? O ACT B 202 mVAL~B 48 56.77 30.97 31.27 57.29 31.17 30.44 54.40 31.15 31.95 53.78 31.17 33.00 55.76 31.88 31.84 55.60 33.16 31.00 3 0 10.86-999 ?-999 ?-999 ? O ACT B 202 mALA~B 49 53.95 30.52 30.87 54.52 30.65 30.05 52.68 28.67 32.04 51.66 28.51 32.71 52.70 29.72 30.91 52.45 29.06 29.53 2 0 13.70-999 ?-999 ?-999 ? O ACT B 202 mLYS~B 50 53.81 27.98 32.26 54.57 28.24 31.67 53.72 27.64 34.65 52.94 27.18 35.50 53.91 26.94 33.29 55.28 26.27 33.26 2 0 15.31-999 ?-999 ?-999 ? O ACT B 202 mMETB 51 54.40 28.77 34.86 54.95 29.09 34.08 52.94 30.07 36.40 52.43 30.04 37.52 54.32 29.44 36.18 55.44 30.48 36.36 2 0 15.50-999 ?-999 ?-999 ? O ACT B 202 mLEU~B 52 52.36 30.64 35.35 52.91 30.69 34.51 50.06 30.01 35.92 49.22 30.21 36.81 50.99 31.15 35.50 50.47 31.81 34.22 3 0 16.80-999 ?-999 ?-999 ? O ACT B 202 mTHR~B 53 50.22 28.83 35.33 50.92 28.81 34.62 49.71 27.25 37.13 48.86 26.77 37.81 49.40 27.67 35.70 49.57 26.49 34.67 2 0 19.33-999 ?-999 ?-999 ? O ACT B 202 mASP~B 54 50.95 27.46 37.60 51.61 27.83 36.95 50.77 28.25 39.94 51.10 28.21 41.11 51.27 27.14 38.98 52.80 27.00 39.19 2 0 20.22-999 ?-999 ?-999 ? O ACT B 202 mLYS.B 55 50.05 29.26 39.43 49.94 29.21 38.43 50.56 31.20 40.92 50.38 31.69 42.02 49.49 30.33 40.26 48.47 29.78 41.29 2 0 21.14-999 ?-999 ?-999 ? O ACT B 202 mARG.B 56 51.67 31.41 40.22 51.70 30.95 39.33 52.37 33.72 40.49 51.63 34.01 39.58 52.73 32.25 40.76 54.06 31.84 40.14 2 0 19.03-999 ?-999 ?-999 ? O ACT B 202 mTHR~B 57 52.91 34.63 41.28 53.46 34.25 42.03 53.51 36.58 39.84 54.47 35.95 39.40 52.71 36.05 41.06 53.09 36.85 42.30 2 0 18.95-999 ?-999 ?-999 ? O ACT B 202 mTYR~B 58 53.15 37.75 39.32 52.35 38.18 39.75 55.35 38.61 38.55 56.22 38.44 37.68 53.91 38.31 38.19 53.26 39.63 37.69 3 0 15.97-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~B 59 55.62 39.07 39.78 54.83 39.19 40.38 57.90 38.06 40.17 59.02 38.04 39.65 57.03 39.36 40.15 57.19 40.06 41.50 3 0 16.35-999 ?-999 ?-999 ? O ACT B 202 mASP~B 60 57.36 37.01 40.77 56.48 37.23 41.19 58.30 35.23 39.33 59.43 34.84 38.98 57.99 35.66 40.80 57.00 34.68 41.51 2 0 15.06-999 ?-999 ?-999 ? O ACT F 201 mILE~B 61 57.29 35.33 38.47 56.45 35.68 38.89 58.48 35.84 36.36 59.36 35.31 35.72 57.40 34.99 37.06 56.02 35.09 36.36 3 0 13.07-999 ?-999 ?-999 ? O ACT B 202 mSER~B 62 58.39 37.16 36.49 57.63 37.48 37.05 60.79 37.78 36.33 61.71 37.77 35.51 59.35 38.05 35.85 58.97 39.52 36.09 2 0 11.30-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 63 60.99 37.57 37.64 60.17 37.63 38.21 62.88 35.96 37.60 64.03 35.91 37.21 62.33 37.28 38.15 62.37 37.30 39.70 2 0 11.26-999 ?-999 ?-999 ? O ACT F 201 mLYS~B 64 62.05 34.92 37.56 61.12 35.11 37.85 62.74 33.56 35.61 63.70 32.97 35.13 62.53 33.60 37.12 61.55 32.48 37.51 2 0 10.85-999 ?-999 ?-999 ? O ACT F 201 mTHR~B 65 61.81 34.16 34.86 61.16 34.73 35.35 62.44 35.12 32.67 62.69 34.97 31.46 61.80 33.97 33.42 60.37 33.81 32.84 2 0 8.17-999 ?-999 ?-999 ? O ACT B 202 mGLY~B 66 62.63 36.27 33.32 62.43 36.23 34.30 61.96 38.25 31.93 62.16 39.33 31.41 63.11 37.47 32.62-999.99-999.99-999.99 1 0 7.14-999 ?-999 ?-999 ? O ACT B 202 mALA.B 67 60.74 37.75 31.97 60.64 36.96 32.57 59.14 39.68 31.76 59.00 39.79 32.98 59.66 38.36 31.16 58.49 37.36 31.03 2 0 7.04-999 ?-999 ?-999 ? OXT ACT B 202 mSER~B 68 58.83 40.66 30.93 59.09 40.48 29.99 56.66 41.60 31.62 56.13 40.57 31.21 58.15 41.88 31.38 58.28 42.94 30.29 2 0 9.14-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~B 69 55.96 42.52 32.28 56.50 43.28 32.64 53.76 42.29 31.10 52.84 41.48 30.95 54.53 42.41 32.45 54.01 43.60 33.28 2 0 12.23-999 ?-999 ?-999 ? OXT ACT B 202 mALA~B 70 54.19 43.06 30.11 54.92 43.68 30.38 53.68 41.53 28.19 52.68 41.01 27.68 53.60 42.95 28.74 54.24 43.93 27.79 2 0 11.37-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~B 71 54.85 40.91 28.27 55.57 41.46 28.68 54.17 38.54 28.64 53.52 37.63 28.09 55.01 39.53 27.80 56.52 39.12 27.90 2 0 8.50-999 ?-999 ?-999 ? OXT ACT B 202 mILE~B 72 54.20 38.70 29.96 54.79 39.45 30.28 51.92 37.94 30.54 51.23 36.94 30.44 53.43 37.82 30.85 53.67 38.15 32.35 3 0 11.03-999 ?-999 ?-999 ? OXT ACT B 202 mSER~B 73 51.43 39.17 30.42 52.11 39.89 30.56 49.60 38.80 28.79 48.51 38.24 28.68 50.05 39.46 30.12 49.86 41.01 30.04 2 0 13.85-999 ?-999 ?-999 ? OXT ACT B 202 mARG~B 74 50.47 38.83 27.79 51.33 39.29 27.99 50.07 36.68 26.65 49.14 36.05 26.14 50.13 38.23 26.52 51.18 38.68 25.49 2 0 12.70-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~B 75 50.99 36.07 27.40 51.71 36.67 27.74 49.59 34.32 28.45 48.83 33.40 28.10 50.88 34.62 27.66 52.10 34.02 28.42 3 0 12.44-999 ?-999 ?-999 ? OXT ACT B 202 mASN~B 76 49.29 35.17 29.44 49.94 35.93 29.55 46.83 35.01 29.44 45.90 34.26 29.69 48.11 34.97 30.28 48.02 36.01 31.41 2 0 15.73-999 ?-999 ?-999 ? OXT ACT B 202 mARG~B 77 46.80 35.92 28.48 47.61 36.50 28.46 45.51 34.74 26.73 44.38 34.28 26.53 45.72 36.05 27.53 46.06 37.22 26.61 2 0 17.23-999 ?-999 ?-999 ? OXT ACT B 202 mSER~B 78 46.63 34.18 26.25 47.46 34.69 26.46 46.15 31.77 26.32 45.38 30.92 25.88 46.60 32.93 25.47 47.99 32.60 24.89 2 0 16.69-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~B 79 46.65 31.75 27.53 47.29 32.49 27.70 44.81 30.69 28.84 44.26 29.61 28.96 46.29 30.75 28.53 47.05 31.07 29.82 3 0 18.05-999 ?-999 ?-999 ? OXT ACT B 202 mASN~B 80 44.17 31.85 28.99 44.72 32.66 28.74 41.75 32.04 28.36 40.58 31.69 28.54 42.79 31.93 29.46 42.66 33.08 30.47 2 0 21.12-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~B 81 42.19 32.49 27.21 43.18 32.62 27.15 41.75 32.25 24.80 41.25 32.69 23.78 41.28 32.78 26.13 41.03 34.28 26.03 3 0 21.94-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~B 82 42.66 31.29 24.78 42.95 30.99 25.69 42.59 29.35 23.24 41.41 29.10 23.47 43.16 30.73 23.52-999.99-999.99-999.99 1 0 20.67-999 ?-999 ?-999 ? OXT ACT B 202 mASN.B 83 43.43 28.44 22.76 44.38 28.75 22.71 43.13 26.06 23.40 42.89 24.88 23.13 42.98 27.12 22.34 43.79 26.70 21.12 2 0 22.35-999 ?-999 ?-999 ? OXT ACT B 202 mASP~B 84 43.56 26.44 24.60 43.60 27.43 24.73 45.12 24.55 25.20 45.30 23.45 25.72 43.92 25.43 25.61 42.70 24.54 25.97 2 0 22.25-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~B 85 45.93 25.05 24.26 45.65 25.94 23.90 48.21 24.16 24.85 48.83 23.13 24.92 47.13 24.34 23.80-999.99-999.99-999.99 1 0 20.30-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~B 86 48.43 25.14 25.72 47.89 25.97 25.54 48.92 23.83 27.78 49.68 22.89 28.10 49.39 24.97 26.83 49.53 26.28 27.63 3 0 18.09-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 87 47.66 23.89 28.19 47.14 24.68 27.87 47.12 21.47 28.42 47.36 20.46 29.08 47.14 22.85 29.07 45.72 23.18 29.61 2 0 21.39-999 ?-999 ?-999 ? O ACT B 202 mMETB 88 46.85 21.43 27.12 46.57 22.32 26.74 48.34 19.54 26.54 48.45 18.36 26.87 46.94 20.18 26.35 46.67 20.45 24.85 2 0 23.02-999 ?-999 ?-999 ? O ACT B 202 mVAL~B 89 49.40 20.28 26.27 49.22 21.23 26.01 51.14 19.46 27.87 51.79 18.46 28.17 50.73 19.69 26.38 51.83 20.46 25.59 3 0 20.78-999 ?-999 ?-999 ? O ACT B 202 mPHE~B 90 50.75 20.35 28.77 50.31 21.16 28.38 50.42 18.75 30.70 51.12 17.99 31.37 50.98 20.12 30.23 50.44 21.26 31.12 3 0 20.77-999 ?-999 ?-999 ? O ACT B 202 mSER~B 91 49.18 18.43 30.33 48.73 19.13 29.77 49.33 15.95 30.16 49.63 14.95 30.82 48.57 17.14 30.76 47.12 17.05 30.30 2 0 24.63-999 ?-999 ?-999 ? O ACT B 202 mARG~B 92 49.62 16.08 28.88 49.44 16.97 28.47 51.55 14.70 28.73 51.91 13.55 28.96 50.17 14.97 28.17 50.21 15.29 26.70 2 0 25.03-999 ?-999 ?-999 ? O ACT B 202 mMETB 93 52.30 15.76 29.02 51.91 16.64 28.76 53.52 14.90 31.03 54.36 14.05 31.32 53.60 15.60 29.66 54.35 16.94 29.74 2 0 22.99-999 ?-999 ?-999 ? O ACT B 202 mLYS~B 94 52.49 15.21 31.83 51.93 15.96 31.50 51.94 13.00 32.92 52.39 12.17 33.73 52.24 14.49 33.10 51.09 15.12 33.88 2 0 25.36-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 95 51.17 12.66 31.88 50.86 13.44 31.33 52.15 10.56 31.41 52.46 9.64 32.16 50.83 11.27 31.58 50.05 11.11 30.28 2 0 28.38-999 ?-999 ?-999 ? O ACT B 202 mLYS~B 96 52.93 11.04 30.43 52.50 11.79 29.94 55.04 9.92 31.26 55.48 8.77 31.16 54.26 10.52 30.09 55.11 11.58 29.38 2 0 27.39-999 ?-999 ?-999 ? O ACT B 202 mGLU~B 97 55.20 10.67 32.36 55.03 11.65 32.21 55.10 10.82 34.89 54.97 10.22 35.95 55.59 10.08 33.65 57.10 9.84 33.74 2 0 28.16-999 ?-999 ?-999 ? O ACT B 202 mARG~C 6 80.81 26.47 12.45 80.36 26.39 13.34 81.54 28.07 10.72 82.61 28.57 10.30 81.47 26.58 11.13 80.74 25.72 10.09 2 0 18.78-999 ?-999 ?-999 ? O ACT D 203 mTHR~C 7 80.43 28.79 10.89 79.66 28.27 11.26 81.40 31.06 11.34 82.11 31.91 10.76 80.36 30.22 10.56 78.89 30.75 10.72 2 0 20.36-999 ?-999 ?-999 ? O ACT D 203 mGLU~C 8 81.56 30.77 12.63 80.97 30.06 13.00 83.99 31.27 12.88 84.82 32.18 12.99 82.57 31.50 13.39 82.49 31.30 14.91 2 0 20.19-999 ?-999 ?-999 ? O ACT D 203 mGLU~C 9 84.28 30.09 12.35 83.52 29.44 12.30 85.84 30.40 10.48 86.93 30.86 10.16 85.64 29.81 11.88 85.98 28.30 11.94 2 0 16.41-999 ?-999 ?-999 ? O ACT D 203 mVAL~C 10 84.79 30.40 9.64 83.98 29.89 9.95 85.05 32.62 8.66 85.89 33.27 8.04 84.86 31.12 8.38 83.64 30.82 7.40 3 0 16.05-999 ?-999 ?-999 ? O ACT D 203 mASP~C 11 84.31 33.17 9.61 83.63 32.54 10.01 85.94 34.88 10.32 86.44 35.95 9.95 84.48 34.56 10.04 83.63 34.86 11.29 2 0 18.68-999 ?-999 ?-999 ? O ACT D 203 mHIS~C 12 86.62 33.93 10.96 86.12 33.08 11.11 88.90 34.29 10.16 89.73 35.20 10.06 88.01 34.16 11.40 88.46 33.01 12.34 3 0 16.62-999 ?-999 ?-999 ? O ACT D 203 mLEU~C 13 88.71 33.40 9.20 88.05 32.68 9.41 89.14 34.84 7.23 90.06 35.53 6.72 89.43 33.51 7.95 89.08 32.33 7.02 3 0 13.82-999 ?-999 ?-999 ? O ACT D 203 mPHE~C 14 87.85 35.19 7.18 87.22 34.52 7.56 88.11 37.70 7.27 88.52 38.65 6.58 87.47 36.49 6.60 85.94 36.65 6.48 3 0 16.85-999 ?-999 ?-999 ? O ACT D 203 mGLU~C 15 88.20 37.69 8.60 87.81 36.89 9.06 90.31 38.94 8.84 90.79 40.04 8.63 88.85 38.81 9.29 88.80 38.65 10.82 2 0 18.58-999 ?-999 ?-999 ? O ACT D 203 mALA~C 16 90.98 37.81 8.69 90.47 36.99 8.95 92.42 38.38 6.80 93.26 39.28 6.55 92.35 37.78 8.20 92.88 36.37 8.19 2 0 15.80-999 ?-999 ?-999 ? O ACT D 203 mILE~C 17 91.52 37.92 5.90 90.88 37.23 6.25 91.23 39.94 4.48 91.84 40.69 3.72 91.52 38.43 4.51 90.52 37.64 3.61 3 0 15.94-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 18 90.30 40.38 5.32 89.83 39.66 5.83 91.22 42.70 5.90 91.28 43.86 5.50 90.02 41.82 5.45 88.79 42.08 6.31 3 0 19.74-999 ?-999 ?-999 ? O ACT D 203 mCYH.C 19 92.18 42.14 6.64 91.98 41.18 6.85 94.42 43.11 6.03 95.34 43.91 6.22 93.40 42.83 7.11 94.12 41.95 8.11 2 0 19.82-999 ?-999 ?-999 ? O ACT D 203 mLEU.C 20 94.31 42.38 4.91 93.53 41.76 4.88 95.08 43.86 3.17 93.92 44.31 3.09 95.29 42.49 3.82 95.09 41.35 2.79 3 0 18.65-999 ?-999 ?-999 ? C ACT D 203 mLYS.C 21 96.15 44.51 2.72 96.99 43.97 2.72 96.53 46.17 0.86 96.23 47.22 0.31 96.08 45.91 2.29 96.91 46.83 3.21 2 0 21.70-999 ?-999 ?-999 ? CH3 ACT D 203 mASN~C 22 97.29 45.26 0.28 97.48 44.46 0.84 98.02 44.08 -1.74 98.06 43.07 -1.04 97.77 45.44 -1.09 99.05 46.35 -1.09 2 0 21.12-999 ?-999 ?-999 ? CH3 ACT D 203 mLYS~C 23 98.20 44.07 -3.06 98.14 44.97 -3.48 99.60 42.02 -3.30 99.57 40.79 -3.37 98.44 42.86 -3.83 98.69 43.19 -5.31 2 0 19.06-999 ?-999 ?-999 ? CH3 ACT D 203 mGLU~C 24 100.65 42.67 -2.80 100.57 43.67 -2.83 101.47 41.15 -1.04 101.88 40.00 -0.92 101.81 41.96 -2.28 102.98 42.92 -1.99 2 0 17.86-999 ?-999 ?-999 ? CH3 ACT D 203 mGLU~C 25 100.74 41.76 -0.10 100.59 42.73 -0.26 99.30 39.87 0.63 99.28 38.84 1.30 100.23 41.03 1.04 99.51 41.97 1.99 2 0 16.46-999 ?-999 ?-999 ? CH3 ACT D 203 mCYH~C 26 98.57 40.03 -0.48 98.68 40.92 -0.93 98.48 37.76 -1.44 98.18 36.63 -1.09 97.68 38.95 -0.96 96.74 39.45 -2.04 2 0 14.74-999 ?-999 ?-999 ? CH3 ACT D 203 mTYR~C 27 99.50 38.03 -2.25 99.57 38.99 -2.53 101.04 36.27 -1.47 101.07 35.04 -1.43 100.44 36.99 -2.67 101.55 37.57 -3.60 3 0 13.07-999 ?-999 ?-999 ? CH3 ACT D 203 mTHR~C 28 101.50 37.04 -0.47 101.40 38.02 -0.64 101.14 35.52 1.46 101.54 34.42 1.82 102.10 36.48 0.74 102.48 37.61 1.73 2 0 12.12-999 ?-999 ?-999 ? CH3 ACT D 203 mPHE~C 29 99.91 35.97 1.70 99.72 36.88 1.33 98.41 34.00 1.57 98.45 32.83 1.98 98.94 35.16 2.43 97.78 36.03 2.93 3 0 10.68-999 ?-999 ?-999 ? CH3 ACT D 203 mPHE~C 30 97.86 34.33 0.39 97.95 35.28 0.12 98.14 32.20 -0.92 97.73 31.06 -1.06 97.20 33.28 -0.40 96.33 33.89 -1.51 3 0 9.29-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 31 99.40 32.53 -1.17 99.60 33.51 -1.12 100.63 30.55 -0.37 100.95 29.39 -0.63 100.38 31.53 -1.50 101.72 32.16 -1.89 2 0 7.53-999 ?-999 ?-999 ? CH3 ACT D 203 mASP~C 32 100.49 31.00 0.87 100.29 31.98 0.93 99.39 29.17 2.19 99.57 27.95 2.38 100.61 30.11 2.04 100.81 30.92 3.33 2 0 -5.62-999 ?-999 ?-999 ? CH3 ACT D 203s mVAL~C 33 98.20 29.74 2.11 98.22 30.70 1.83 96.57 28.12 1.21 96.07 27.03 1.44 96.96 29.04 2.39 95.80 30.00 2.75 3 0 -5.09-999 ?-999 ?-999 ? C ACT D 203s mCYH~C 34 96.88 28.53 -0.04 97.41 29.37 -0.06 97.60 27.06 -1.85 98.73 27.55 -1.77 96.45 27.78 -1.24 95.98 28.73 -2.31 2 0 4.48-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 35 97.34 25.94 -2.52 96.43 25.54 -2.38 98.48 26.25 -4.62 97.57 27.08 -4.88 98.38 25.40 -3.37 98.05 24.02 -3.87 2 0 4.67-999 ?-999 ?-999 ? OXT ACT D 203 mILE~C 36 99.57 26.07 -5.36 100.25 25.48 -4.92 98.52 26.46 -7.59 97.96 27.43 -8.09 99.74 26.67 -6.69 101.08 26.22 -7.39 3 0 8.32-999 ?-999 ?-999 ? CH3 ACT D 203 mASN~C 37 98.12 25.22 -7.80 98.63 24.52 -7.31 95.69 25.48 -8.16 94.83 25.81 -8.97 97.01 24.93 -8.68 96.87 23.43 -8.97 2 0 9.79-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 38 95.49 25.56 -6.83 96.22 25.19 -6.25 94.16 27.64 -6.64 93.10 28.16 -7.04 94.25 26.16 -6.33 94.09 25.97 -4.81 2 0 8.38-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 39 95.26 28.34 -6.39 96.03 27.82 -6.02 95.11 30.06 -8.16 94.36 30.99 -8.52 95.28 29.77 -6.65 96.53 30.43 -6.08 3 0 9.85-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 40 95.74 29.25 -9.02 96.34 28.57 -8.60 94.10 29.14 -10.82 93.53 29.88 -11.59 95.55 29.41 -10.48 96.44 28.47 -11.30 3 0 12.86-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 41 93.54 28.08 -10.26 94.13 27.55 -9.65 91.13 28.78 -10.07 90.22 29.10 -10.82 92.16 27.74 -10.55 91.85 26.34 -10.06 2 0 13.34-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 42 91.28 29.32 -8.87 92.01 28.92 -8.32 90.56 31.67 -9.28 89.57 32.30 -9.61 90.44 30.42 -8.41 90.80 30.86 -6.98 3 0 13.47-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 43 91.78 32.04 -9.62 92.49 31.42 -9.28 91.56 33.11 -11.87 91.13 34.10 -12.52 92.04 33.25 -10.40 93.53 33.54 -10.40 2 0 15.69-999 ?-999 ?-999 ? OXT ACT D 203 mGLN~C 44 91.65 31.89 -12.39 92.10 31.23 -11.81 89.57 31.74 -13.75 89.03 32.35 -14.69 91.11 31.58 -13.72 91.52 30.18 -14.15 2 0 17.80-999 ?-999 ?-999 ? OXT ACT D 203 mARG~C 45 88.88 31.23 -12.73 89.43 30.76 -12.03 87.03 32.81 -12.59 86.02 33.22 -13.20 87.42 31.37 -12.66 86.80 30.66 -11.46 2 0 18.58-999 ?-999 ?-999 ? OXT ACT D 203 mPHE~C 46 87.82 33.57 -11.84 88.58 33.10 -11.38 87.63 35.65 -13.05 86.73 36.41 -13.41 87.56 34.96 -11.70 88.51 35.65 -10.68 3 0 19.54-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 47 88.74 35.46 -13.75 89.41 34.85 -13.32 87.86 35.70 -16.05 87.34 36.55 -16.78 88.95 36.10 -15.03 90.34 35.78 -15.57 2 0 21.86-999 ?-999 ?-999 ? OXT ACT D 203 mVAL~C 48 87.50 34.42 -16.05 88.03 33.86 -15.42 85.10 34.60 -16.57 84.37 34.98 -17.47 86.43 33.89 -16.90 86.22 32.42 -16.67 3 0 23.32-999 ?-999 ?-999 ? OXT ACT D 203 mALA~C 49 84.82 34.80 -15.27 85.50 34.43 -14.64 83.60 36.97 -15.35 82.58 37.47 -15.87 83.59 35.52 -14.84 83.44 35.46 -13.30 2 0 24.09-999 ?-999 ?-999 ? OXT ACT D 203 mLYS~C 50 84.75 37.62 -15.21 85.47 37.11 -14.75 84.71 39.05 -17.25 84.03 39.96 -17.75 84.90 38.99 -15.70 86.25 39.55 -15.32 2 0 25.78-999 ?-999 ?-999 ? OXT ACT D 203 mMETC 51 85.31 38.09 -17.98 85.81 37.40 -17.46 83.76 37.82 -19.94 83.28 38.47 -20.88 85.19 38.09 -19.44 86.27 37.22 -20.13 2 0 27.76-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 52 83.09 36.86 -19.31 83.61 36.39 -18.60 80.83 37.78 -19.40 79.98 38.10 -20.20 81.71 36.57 -19.65 81.18 35.42 -18.83 3 0 28.95-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 53 81.08 38.47 -18.30 81.78 38.07 -17.71 80.63 40.74 -19.06 79.74 41.49 -19.43 80.38 39.71 -17.98 80.80 40.25 -16.59 2 0 30.06-999 ?-999 ?-999 ? OXT ACT D 203 mASP~C 54 81.86 40.74 -19.59 82.51 40.09 -19.22 81.73 41.16 -22.03 82.14 41.73 -23.01 82.16 41.67 -20.64 83.66 42.04 -20.64 2 0 31.92-999 ?-999 ?-999 ? OXT ACT D 203 mLYS.C 55 80.91 40.09 -22.10 80.68 39.70 -21.20 81.48 38.96 -24.31 81.30 38.98 -25.54 80.40 39.54 -23.36 79.55 40.59 -24.16 2 0 33.64-999 ?-999 ?-999 ? OXT ACT D 203 mARG.C 56 82.57 38.42 -23.76 82.61 38.45 -22.76 83.18 36.45 -25.02 82.37 35.82 -24.33 83.62 37.84 -24.64 84.99 37.75 -23.95 2 0 32.34-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 57 83.74 35.96 -26.11 84.44 36.55 -26.53 84.12 33.56 -25.91 85.12 33.83 -25.24 83.33 34.67 -26.64 83.65 34.62 -28.15 2 0 32.91-999 ?-999 ?-999 ? OXT ACT D 203 mTYR~C 58 83.67 32.32 -26.03 82.84 32.21 -26.56 85.82 31.07 -25.87 86.72 30.79 -25.06 84.43 31.24 -25.37 83.71 29.87 -25.51 3 0 30.39-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 59 86.05 31.20 -27.19 85.26 31.42 -27.76 88.38 32.08 -27.05 89.50 31.76 -26.61 87.43 31.02 -27.67 87.53 31.01 -29.20 3 0 31.26-999 ?-999 ?-999 ? OXT ACT D 203 mASP~C 60 87.93 33.34 -27.04 87.01 33.40 -27.42 89.01 34.21 -25.01 90.13 34.29 -24.55 88.73 34.50 -26.50 87.84 35.75 -26.66 2 0 30.77-999 ?-999 ?-999 ? OXT ACT D 203 mILE~C 61 88.00 33.75 -24.29 87.14 33.66 -24.80 89.17 32.26 -22.69 90.08 32.29 -21.81 88.16 33.42 -22.86 86.81 33.09 -22.20 3 0 27.36-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 62 89.03 31.24 -23.52 88.29 31.34 -24.19 91.35 30.44 -23.72 92.26 30.01 -23.01 89.90 30.06 -23.43 89.42 28.95 -24.37 2 0 26.36-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 63 91.57 31.25 -24.75 90.75 31.56 -25.24 93.56 32.48 -23.99 94.74 32.32 -23.70 92.93 31.63 -25.09 92.99 32.40 -26.40 2 0 27.61-999 ?-999 ?-999 ? OXT ACT D 203 mLYS~C 64 92.78 33.36 -23.37 91.83 33.36 -23.68 93.62 33.49 -21.04 94.69 33.64 -20.47 93.33 34.25 -22.32 92.43 35.46 -22.05 2 0 25.84-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 65 92.68 32.66 -20.59 91.94 32.50 -21.25 93.14 30.55 -19.23 93.30 29.98 -18.13 92.71 32.04 -19.27 91.30 32.16 -18.61 2 0 22.37-999 ?-999 ?-999 ? OXT ACT D 203 mGLY~C 66 93.22 29.90 -20.38 93.14 30.50 -21.18 92.10 27.68 -20.12 92.08 26.46 -20.20 93.40 28.43 -20.43-999.99-999.99-999.99 1 0 22.32-999 ?-999 ?-999 ? OXT ACT D 203 mALA.C 67 91.00 28.37 -19.80 91.07 29.36 -19.90 89.17 26.79 -20.47 89.04 27.27 -21.60 89.80 27.62 -19.34 88.74 28.57 -18.73 2 0 22.13-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 68 88.79 25.56 -20.16 89.08 25.28 -19.25 86.55 25.18 -21.19 86.07 25.97 -20.37 88.03 24.71 -21.09 88.03 23.27 -20.54 2 0 24.16-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 69 85.83 24.69 -22.19 86.36 24.15 -22.83 83.61 24.52 -21.03 82.75 25.24 -20.55 84.36 24.97 -22.31 83.80 24.32 -23.53 2 0 26.89-999 ?-999 ?-999 ? OXT ACT D 203 mALA~C 70 83.98 23.38 -20.47 84.72 22.90 -20.93 83.46 23.87 -18.08 82.51 24.13 -17.32 83.30 22.91 -19.27 83.80 21.49 -18.90 2 0 24.91-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 71 84.67 24.35 -17.90 85.35 24.00 -18.54 84.21 26.62 -17.11 83.59 27.18 -16.17 84.96 25.31 -16.86 86.43 25.57 -16.83 2 0 21.99-999 ?-999 ?-999 ? OXT ACT D 203 mILE~C 72 84.22 27.08 -18.37 84.69 26.51 -19.05 82.06 28.24 -18.44 81.45 29.16 -17.94 83.56 28.35 -18.68 83.84 28.80 -20.16 3 0 24.62-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 73 81.48 27.12 -18.84 82.12 26.49 -19.27 79.63 26.78 -17.20 78.57 27.36 -16.82 80.06 26.82 -18.67 79.76 25.48 -19.31 2 0 26.57-999 ?-999 ?-999 ? OXT ACT D 203 mARG~C 74 80.46 26.10 -16.39 81.19 25.61 -16.85 80.25 27.56 -14.36 79.28 27.92 -13.71 80.28 26.11 -14.92 81.35 25.27 -14.24 2 0 23.69-999 ?-999 ?-999 ? OXT ACT D 203 mVAL~C 75 81.24 28.38 -14.67 81.99 27.95 -15.17 79.98 30.50 -14.87 79.28 31.23 -14.16 81.22 29.80 -14.30 82.48 30.53 -14.74 3 0 23.20-999 ?-999 ?-999 ? OXT ACT D 203 mASN~C 76 79.66 30.25 -16.13 80.23 29.60 -16.63 77.22 30.62 -15.88 76.40 31.53 -15.60 78.52 30.93 -16.68 78.35 30.66 -18.18 2 0 26.96-999 ?-999 ?-999 ? OXT ACT D 203 mARG~C 77 77.03 29.35 -15.51 77.81 28.75 -15.72 75.70 29.55 -13.49 74.60 29.90 -13.05 75.81 28.89 -14.87 75.78 27.35 -14.75 2 0 27.45-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 78 76.83 29.75 -12.84 77.64 29.39 -13.32 76.46 31.85 -11.66 75.70 32.36 -10.83 76.89 30.42 -11.56 78.31 30.40 -11.03 2 0 25.10-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~C 79 77.02 32.50 -12.68 77.59 31.92 -13.26 75.37 34.16 -13.19 74.83 35.11 -12.68 76.83 33.91 -12.95 77.63 34.28 -14.20 3 0 26.94-999 ?-999 ?-999 ? OXT ACT D 203 mASN~C 80 74.73 33.31 -13.97 75.30 32.58 -14.37 72.46 33.16 -12.98 71.40 33.74 -12.86 73.32 33.44 -14.21 72.84 32.54 -15.33 2 0 30.20-999 ?-999 ?-999 ? OXT ACT D 203 mTYR~C 81 72.89 32.22 -12.12 73.75 31.77 -12.36 72.21 33.06 -9.90 71.18 33.55 -9.40 72.11 31.92 -10.94 72.47 30.59 -10.30 3 0 29.28-999 ?-999 ?-999 ? OXT ACT D 203 mGLY~C 82 73.43 33.48 -9.58 74.19 32.97 -9.99 74.93 35.25 -8.87 75.94 34.56 -8.78 73.57 34.63 -8.69-999.99-999.99-999.99 1 0 28.03-999 ?-999 ?-999 ? OXT ACT D 203 mASN~C 83 74.97 36.55 -9.11 74.08 37.01 -9.12 76.41 38.49 -8.50 77.06 39.44 -8.93 76.25 37.22 -9.34 76.41 37.54 -10.83 2 0 27.16-999 ?-999 ?-999 ? OXT ACT D 203 mASP~C 84 75.79 38.51 -7.33 75.31 37.67 -7.07 77.28 40.01 -6.11 77.66 41.19 -5.99 75.84 39.71 -6.52 74.95 39.59 -5.27 2 0 27.86-999 ?-999 ?-999 ? OXT ACT D 203 mGLY~C 85 78.06 38.95 -5.88 77.61 38.07 -6.08 80.31 39.66 -6.47 80.98 40.69 -6.24 79.44 39.06 -5.40-999.99-999.99-999.99 1 0 24.42-999 ?-999 ?-999 ? OXT ACT D 203 mTYR~C 86 80.25 39.03 -7.65 79.66 38.23 -7.64 80.64 40.91 -9.23 81.55 41.71 -9.45 80.99 39.46 -8.83 80.76 38.51 -10.02 3 0 24.71-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 87 79.34 41.26 -9.25 78.71 40.55 -8.94 79.39 43.62 -8.73 79.72 44.76 -9.10 78.91 42.59 -9.70 77.38 42.71 -9.78 2 0 28.43-999 ?-999 ?-999 ? OXT ACT D 203 mMETC 88 79.37 43.24 -7.45 79.03 42.32 -7.29 81.28 44.48 -6.58 81.65 45.66 -6.54 79.81 44.14 -6.40 79.60 43.53 -5.01 2 0 27.83-999 ?-999 ?-999 ? OXT ACT D 203 mVAL~C 89 82.13 43.47 -6.78 81.74 42.55 -6.82 83.83 44.42 -8.30 84.68 45.32 -8.38 83.53 43.78 -6.93 84.49 42.61 -6.59 3 0 25.49-999 ?-999 ?-999 ? OXT ACT D 203 mPHE~C 90 83.12 44.00 -9.34 82.46 43.27 -9.17 83.03 46.14 -10.60 83.77 46.94 -11.14 83.36 44.62 -10.64 82.59 43.97 -11.77 3 0 27.59-999 ?-999 ?-999 ? OXT ACT D 203 mSER~C 91 81.92 46.51 -9.96 81.40 45.75 -9.57 82.66 48.74 -9.19 83.07 49.80 -9.68 81.56 47.95 -9.86 80.28 48.15 -9.05 2 0 30.76-999 ?-999 ?-999 ? OXT ACT D 203 mARG~C 92 83.14 48.22 -8.07 82.76 47.33 -7.84 85.49 48.98 -7.95 86.20 49.97 -7.84 84.14 48.92 -7.26 84.29 48.25 -5.91 2 0 29.44-999 ?-999 ?-999 ? OXT ACT D 203 mMETC 93 85.84 47.91 -8.65 85.22 47.13 -8.56 86.95 48.94 -10.63 87.93 49.63 -10.94 87.04 47.90 -9.48 87.34 46.49 -10.01 2 0 28.09-999 ?-999 ?-999 ? OXT ACT D 203 mLYS~C 94 85.77 49.09 -11.23 85.04 48.49 -10.88 85.69 51.49 -11.80 86.30 52.35 -12.45 85.59 50.06 -12.31 84.26 49.83 -13.04 2 0 31.57-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 95 85.11 51.75 -10.63 84.61 50.97 -10.25 86.63 53.44 -9.63 87.04 54.57 -9.88 85.20 53.05 -9.96 84.41 53.04 -8.66 2 0 33.36-999 ?-999 ?-999 ? OXT ACT D 203 mLYS~C 96 87.39 52.51 -9.04 86.92 51.64 -8.88 89.71 52.94 -9.88 90.75 53.60 -9.77 88.78 52.78 -8.68 89.33 51.71 -7.72 2 0 31.54-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~C 97 89.33 52.38 -11.02 88.46 51.90 -10.97 90.10 53.83 -12.90 91.04 54.21 -13.60 90.14 52.45 -12.25 89.68 51.40 -13.25 2 0 32.19-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~C 98 89.01 54.57 -12.67 88.39 54.16 -12.00 89.59 57.03 -12.77 89.89 57.11 -11.58 88.75 55.86 -13.32 87.24 56.21 -13.27 2 0 35.96-999 ?-999 ?-999 ? OXT ACT D 203 mILE.D 5 105.51 33.29 -9.00 106.04 33.09 -8.17 103.53 34.54 -10.00 102.78 34.41 -9.02 104.70 33.58 -10.24 104.21 32.29 -10.97 3 0 15.44-999 ?-999 ?-999 ? CH3 ACT D 203 mARG.D 6 103.41 35.52 -10.91 104.06 35.41 -11.66 101.75 36.72 -12.18 102.40 36.95 -13.20 102.44 36.63 -10.85 103.18 37.96 -10.63 2 0 17.34-999 ?-999 ?-999 ? CH3 ACT D 203 mTHR~D 7 100.45 36.54 -12.22 99.99 36.35 -11.35 98.71 37.66 -13.37 98.25 37.98 -12.28 99.79 36.63 -13.49 99.19 35.27 -13.96 2 0 19.13-999 ?-999 ?-999 ? CH3 ACT D 203 mGLU~D 8 98.31 38.19 -14.52 98.84 37.88 -15.31 95.91 38.60 -13.92 95.24 39.32 -13.20 97.20 39.12 -14.59 96.96 39.46 -16.08 2 0 21.68-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~D 9 95.56 37.35 -14.19 96.19 36.85 -14.79 94.40 36.75 -12.08 93.39 37.00 -11.44 94.33 36.78 -13.62 94.00 35.39 -14.23 2 0 19.66-999 ?-999 ?-999 ? OXT ACT D 203 mVAL~D 10 95.58 36.47 -11.52 96.28 36.22 -12.18 95.73 37.98 -9.53 94.99 38.25 -8.58 95.81 36.53 -10.04 97.14 35.82 -9.59 3 0 16.75-999 ?-999 ?-999 ? OXT ACT D 203 mASP~D 11 96.46 38.90 -10.16 97.06 38.54 -10.88 94.87 40.79 -9.73 94.49 41.44 -8.77 96.34 40.33 -9.78 97.11 41.26 -10.71 2 0 19.53-999 ?-999 ?-999 ? OXT ACT D 203 mHIS~D 12 94.07 40.43 -10.76 94.49 39.85 -11.45 91.89 40.35 -9.60 91.15 41.12 -8.95 92.66 40.88 -10.80 91.89 40.46 -12.09 3 0 21.13-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~D 13 92.06 39.06 -9.34 92.67 38.58 -9.97 91.71 39.17 -6.91 90.81 39.48 -6.13 91.39 38.40 -8.22 91.86 36.95 -8.13 3 0 18.14-999 ?-999 ?-999 ? OXT ACT D 203 mPHE~D 14 92.98 39.47 -6.70 93.58 39.19 -7.45 92.82 41.60 -5.35 92.40 42.03 -4.26 93.42 40.17 -5.45 94.96 40.18 -5.33 3 0 17.83-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~D 15 92.74 42.30 -6.48 93.13 41.82 -7.27 90.64 43.60 -6.08 90.15 44.44 -5.33 92.10 43.66 -6.53 92.20 44.27 -7.95 2 0 21.69-999 ?-999 ?-999 ? OXT ACT D 203 mALA~D 16 89.96 42.54 -6.50 90.46 41.92 -7.10 88.53 42.03 -4.61 87.65 42.54 -3.91 88.59 42.32 -6.10 87.96 41.18 -6.91 2 0 21.55-999 ?-999 ?-999 ? OXT ACT D 203 mILE~D 17 89.44 41.20 -4.12 90.08 40.85 -4.81 89.78 42.10 -1.83 89.19 42.31 -0.77 89.47 40.84 -2.68 90.45 39.68 -2.42 3 0 18.99-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~D 18 90.69 42.94 -2.31 91.10 42.65 -3.18 89.88 45.17 -1.57 89.89 46.05 -0.73 91.03 44.16 -1.62 92.29 44.78 -2.21 3 0 21.28-999 ?-999 ?-999 ? OXT ACT D 203 mCYH.D 19 88.89 45.06 -2.46 88.98 44.35 -3.16 86.69 45.48 -1.37 85.71 46.17 -1.14 87.78 45.98 -2.32 87.22 46.42 -3.67 2 0 24.22-999 ?-999 ?-999 ? OXT ACT D 203 mLEU.D 20 86.88 44.33 -0.74 87.71 43.83 -1.00 86.04 44.62 1.57 87.17 44.85 1.99 85.88 43.87 0.26 85.99 42.35 0.50 3 0 23.01-999 ?-999 ?-999 ? OXT ACT D 203 mLYS.D 21 84.92 44.95 2.24 84.07 44.60 1.84 84.51 45.12 4.75 84.79 45.64 5.80 84.97 45.77 3.46 84.17 47.08 3.28 2 0 25.20-999 ?-999 ?-999 ? OXT ACT D 203 mASN~D 22 83.74 44.06 4.68 83.52 43.75 3.76 82.98 41.96 5.60 82.96 41.55 4.44 83.26 43.43 5.89 82.02 44.16 6.46 2 0 24.56-999 ?-999 ?-999 ? OXT ACT D 203 mLYS~D 23 82.78 41.18 6.66 82.78 41.68 7.53 81.36 39.41 5.66 81.36 38.41 4.97 82.56 39.74 6.54 82.35 39.14 7.94 2 0 22.40-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~D 24 80.32 40.25 5.72 80.43 41.01 6.36 79.50 40.05 3.42 79.07 39.19 2.64 79.12 40.04 4.91 78.07 41.12 5.22 2 0 23.87-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~D 25 80.30 41.02 3.04 80.54 41.67 3.76 81.65 39.91 1.26 81.66 39.49 0.10 80.75 41.08 1.64 81.43 42.41 1.36 2 0 23.95-999 ?-999 ?-999 ? OXT ACT D 203 mCYH~D 26 82.42 39.40 2.23 82.39 39.88 3.11 82.36 37.03 1.71 82.69 36.24 0.86 83.25 38.24 1.96 84.21 37.93 3.12 2 0 20.19-999 ?-999 ?-999 ? OXT ACT D 203 mTYR~D 27 81.28 36.85 2.46 81.16 37.51 3.20 79.81 35.91 0.73 79.83 34.99 -0.05 80.38 35.73 2.15 79.23 35.59 3.15 3 0 20.85-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~D 28 79.33 37.10 0.42 79.38 37.77 1.16 79.76 37.05 -2.02 79.42 36.36 -2.98 78.77 37.36 -0.91 78.28 38.78 -0.98 2 0 23.14-999 ?-999 ?-999 ? OXT ACT D 203 mPHE~D 29 81.00 37.52 -1.87 81.18 38.01 -1.01 82.51 35.87 -2.98 82.60 35.26 -4.07 81.99 37.31 -2.93 83.18 38.28 -2.78 3 0 20.86-999 ?-999 ?-999 ? OXT ACT D 203 mPHE~D 30 82.93 35.33 -1.84 82.75 35.85 -1.01 82.62 32.91 -2.22 83.03 31.92 -2.77 83.61 34.03 -1.91 84.45 33.71 -0.65 3 0 17.44-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~D 31 81.35 33.06 -1.84 81.17 33.86 -1.26 80.05 32.20 -3.80 79.70 31.19 -4.38 80.32 32.12 -2.26 79.02 32.28 -1.47 2 0 19.37-999 ?-999 ?-999 ? OXT ACT D 203 mASP~D 32 80.25 33.35 -4.44 80.43 34.13 -3.84 81.42 32.73 -6.54 81.28 32.01 -7.54 80.22 33.43 -5.93 80.20 34.88 -6.43 2 0 20.97-999 ?-999 ?-999 ? OXT ACT D 203 mVAL~D 33 82.59 32.91 -5.96 82.58 33.41 -5.09 84.18 30.99 -6.21 84.79 30.31 -7.03 83.79 32.41 -6.59 85.02 33.32 -6.36 3 0 17.87-999 ?-999 ?-999 ? OXT ACT D 203 mCYH~D 34 83.89 30.54 -4.98 83.34 31.18 -4.44 83.17 28.33 -4.33 82.09 28.84 -4.08 84.36 29.21 -4.52 85.01 29.34 -3.13 2 0 15.29-999 ?-999 ?-999 ? OXT ACT D 203 mTHR~D 35 83.35 27.02 -4.36 84.22 26.71 -4.72 82.26 26.22 -2.34 83.27 26.67 -1.72 82.26 26.15 -3.88 82.51 24.70 -4.28 2 0 16.30-999 ?-999 ?-999 ? OXT ACT D 203 mILE~D 36 81.18 25.76 -1.72 80.42 25.51 -2.32 82.36 24.79 0.28 83.03 25.17 1.22 81.18 25.65 -0.24 79.80 25.21 0.33 3 0 16.59-999 ?-999 ?-999 ? OXT ACT D 203 mASN~D 37 82.60 23.64 -0.35 81.97 23.43 -1.10 85.05 23.45 0.00 85.88 23.25 0.88 83.70 22.77 0.07 83.73 21.45 -0.71 2 0 14.05-999 ?-999 ?-999 ? OXT ACT D 203 mGLU~D 38 85.28 24.25 -1.04 84.54 24.26 -1.72 86.68 26.03 -0.03 87.76 26.14 0.56 86.54 25.03 -1.16 86.64 25.79 -2.49 2 0 11.37-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~D 39 85.59 26.75 0.26 84.80 26.56 -0.31 85.89 27.04 2.69 86.73 27.47 3.49 85.61 27.75 1.34 84.30 28.55 1.36 3 0 12.58-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~D 40 85.27 25.89 2.88 84.70 25.58 2.12 86.85 24.66 4.28 87.44 24.71 5.36 85.42 25.17 4.14 84.37 24.07 4.28 3 0 12.66-999 ?-999 ?-999 ? OXT ACT D 203 mSER~D 41 87.44 24.24 3.16 86.88 24.31 2.34 89.80 24.87 3.47 90.77 24.65 4.24 88.79 23.74 3.15 89.03 22.98 1.83 2 0 9.12-999 ?-999 ?-999 ? OXT ACT D 203 mLEU~D 42 89.55 26.08 2.96 88.78 26.12 2.32 90.22 27.60 4.79 91.20 27.94 5.45 90.38 27.23 3.33 90.07 28.49 2.53 3 0 8.23-999 ?-999 ?-999 ? OXT ACT D 203 mSER~D 43 88.98 27.56 5.28 88.26 27.27 4.65 89.41 26.88 7.58 90.01 27.26 8.62 88.71 27.89 6.65 87.19 27.94 6.91 2 0 10.89-999 ?-999 ?-999 ? O ACT D 203 mGLN~D 44 89.33 25.61 7.22 88.78 25.45 6.40 91.50 24.77 8.09 92.04 24.65 9.18 89.98 24.55 7.97 89.72 23.21 7.30 2 0 9.61-999 ?-999 ?-999 ? O ACT D 203 mARG~D 45 92.17 25.09 6.98 91.60 25.12 6.16 93.99 26.54 7.88 94.99 26.47 8.62 93.62 25.37 6.99 94.18 25.54 5.56 2 0 -6.19-999 ?-999 ?-999 ? O ACT D 203s mPHE~D 46 93.17 27.60 7.84 92.39 27.51 7.23 93.29 28.41 10.13 94.08 28.84 10.98 93.45 28.77 8.66 92.54 29.94 8.26 3 0 8.74-999 ?-999 ?-999 ? O ACT D 203 mGLU~D 47 92.29 27.58 10.43 91.75 27.29 9.64 93.19 26.25 12.28 93.68 26.35 13.42 92.04 27.15 11.82 90.71 26.41 11.96 2 0 11.15-999 ?-999 ?-999 ? O ACT D 203 mVAL~D 48 93.62 25.37 11.41 93.09 25.32 10.56 96.00 25.41 11.98 96.70 25.21 12.96 94.77 24.54 11.70 95.07 23.54 10.56 3 0 9.29-999 ?-999 ?-999 ? O ACT D 203 mALA~D 49 96.25 26.39 11.12 95.60 26.47 10.36 97.35 27.92 12.69 98.37 27.93 13.39 97.41 27.26 11.33 97.53 28.30 10.26 2 0 8.87-999 ?-999 ?-999 ? O ACT D 203 mLYS~D 50 96.18 28.43 13.09 95.44 28.34 12.43 96.43 28.08 15.54 97.21 28.41 16.47 96.08 29.08 14.41 94.68 29.66 14.65 2 0 12.57-999 ?-999 ?-999 ? O ACT D 203 mMETD 51 95.87 26.87 15.46 95.29 26.71 14.66 97.55 25.39 16.57 98.06 25.09 17.66 96.13 25.90 16.52 95.12 24.74 16.49 2 0 13.70-999 ?-999 ?-999 ? O ACT D 203 mLEU~D 52 98.21 25.30 15.40 97.67 25.49 14.58 100.46 25.98 16.08 101.36 25.66 16.85 99.63 24.92 15.39 100.14 24.71 13.96 3 0 12.39-999 ?-999 ?-999 ? O ACT D 203 mTHR~D 53 100.17 27.26 15.81 99.41 27.40 15.17 100.62 28.38 17.96 101.44 28.85 18.74 100.93 28.34 16.44 100.75 29.74 15.76 2 0 14.26-999 ?-999 ?-999 ? O ACT D 203 mASP~D 54 99.46 27.85 18.36 98.84 27.59 17.61 99.81 26.43 20.34 99.61 26.10 21.51 99.13 27.68 19.77 97.61 27.54 19.97 2 0 17.08-999 ?-999 ?-999 ? O ACT D 203 mLYS.D 55 100.54 25.69 19.51 100.56 26.05 18.58 100.29 23.40 20.46 100.59 22.64 21.38 101.26 24.47 19.95 102.36 24.80 20.99 2 0 17.11-999 ?-999 ?-999 ? O ACT D 203 mARG.D 56 99.10 23.34 19.88 98.92 24.08 19.23 98.64 20.95 19.53 99.28 20.98 18.48 98.15 22.26 20.19 96.74 22.65 19.72 2 0 17.17-999 ?-999 ?-999 ? O ACT D 203 mTHR~D 57 98.33 19.81 20.15 97.85 19.93 21.02 97.88 18.28 18.28 96.82 18.92 18.04 98.69 18.52 19.57 98.35 17.39 20.53 2 0 17.36-999 ?-999 ?-999 ? O ACT D 203 mTYR~D 58 98.35 17.36 17.45 99.20 16.93 17.76 96.28 16.42 16.47 95.32 16.67 15.73 97.64 17.02 16.19 98.47 16.04 15.34 3 0 14.85-999 ?-999 ?-999 ? O ACT D 203 mLEU~D 59 96.21 15.62 17.52 97.07 15.48 18.01 93.90 16.06 18.25 92.74 15.97 17.84 94.95 15.00 17.91 95.17 14.02 19.08 3 0 17.65-999 ?-999 ?-999 ? O ACT D 203 mASP~D 60 94.33 17.11 18.95 95.30 17.06 19.18 92.96 18.91 18.07 91.78 19.16 17.90 93.44 18.21 19.34 94.21 19.18 20.26 2 0 17.91-999 ?-999 ?-999 ? O ACT D 203 mILE~D 61 93.91 19.18 17.18 94.82 18.83 17.42 92.73 19.13 15.05 91.74 19.68 14.54 93.67 19.93 15.98 94.97 20.29 15.25 3 0 14.26-999 ?-999 ?-999 ? O ACT D 203 mSER~D 62 93.01 17.84 14.85 93.88 17.55 15.25 90.69 16.99 14.68 89.71 17.18 13.96 92.10 16.96 14.10 92.58 15.52 14.17 2 0 14.44-999 ?-999 ?-999 ? O ACT D 203 mGLU~D 63 90.60 16.79 15.99 91.47 16.67 16.47 88.58 18.08 16.43 87.42 18.08 16.04 89.31 16.76 16.65 89.47 16.43 18.14 2 0 17.78-999 ?-999 ?-999 ? O ACT D 203 mLYS~D 64 89.25 19.22 16.63 90.22 19.10 16.85 88.21 20.91 15.06 87.12 21.43 14.79 88.55 20.51 16.51 89.34 21.66 17.19 2 0 16.92-999 ?-999 ?-999 ? O ACT D 203 mTHR~D 65 89.14 20.69 14.13 89.91 20.14 14.44 88.52 20.21 11.77 88.12 20.59 10.67 89.01 21.25 12.79 90.35 21.75 12.27 2 0 13.67-999 ?-999 ?-999 ? O ACT D 203 mGLY~D 66 88.56 18.93 12.12 88.79 18.77 13.08 89.43 17.55 10.18 89.31 16.67 9.31 88.28 17.86 11.15-999.99-999.99-999.99 1 0 14.22-999 ?-999 ?-999 ? O ACT D 203 mALA.D 67 90.56 18.25 10.33 90.57 18.89 11.10 92.31 16.67 9.57 92.39 16.13 10.69 91.67 18.05 9.41 92.69 19.15 9.55 2 0 10.90-999 ?-999 ?-999 ? O ACT D 203 mSER~D 68 92.75 16.11 8.45 92.48 16.59 7.62 94.98 15.29 8.85 95.36 16.46 8.75 93.57 14.90 8.48 93.64 14.26 7.09 2 0 11.58-999 ?-999 ?-999 ? O ACT D 203 mTHR~D 69 95.76 14.28 9.23 95.27 13.42 9.30 97.91 15.04 8.33 98.70 15.99 8.51 97.20 14.42 9.50 97.81 13.05 9.79 2 0 11.59-999 ?-999 ?-999 ? O ACT D 203 mALA~D 70 97.63 14.49 7.15 97.04 13.69 7.19 97.91 16.56 5.76 98.83 17.32 5.42 98.15 15.03 5.90 97.51 14.27 4.70 2 0 9.42-999 ?-999 ?-999 ? O ACT D 203 mTHR~D 71 96.70 17.01 6.06 96.05 16.30 6.34 97.18 19.23 6.99 97.75 20.29 6.68 96.39 18.44 5.98 94.89 18.66 6.17 2 0 6.56-999 ?-999 ?-999 ? O ACT D 203 mILE~D 72 97.28 18.69 8.20 96.86 17.79 8.29 99.42 19.59 8.96 99.99 20.68 9.14 97.94 19.39 9.28 97.71 18.70 10.65 3 0 7.73-999 ?-999 ?-999 ? O ACT D 203 mSER~D 73 100.02 18.53 8.47 99.42 17.73 8.39 101.71 19.53 6.94 102.75 20.20 6.93 101.43 18.55 8.09 101.88 17.14 7.73 2 0 8.05-999 ?-999 ?-999 ? O ACT D 203 mARG~D 74 100.78 19.64 5.99 99.98 19.04 6.10 100.88 22.01 5.39 101.68 22.85 4.99 100.94 20.56 4.90 99.88 20.30 3.82 2 0 4.74-999 ?-999 ?-999 ? O ACT D 203 mVAL~D 75 99.93 22.30 6.26 99.31 21.55 6.48 101.12 23.91 7.67 101.69 25.00 7.59 99.83 23.63 6.83 98.59 23.81 7.72 3 0 4.06-999 ?-999 ?-999 ? O ACT D 203 mASN~D 76 101.55 22.91 8.44 100.98 22.08 8.39 103.98 23.41 8.45 104.77 24.28 8.84 102.75 23.03 9.29 103.04 21.74 10.05 2 0 7.70-999 ?-999 ?-999 ? O ACT D 203 mARG~D 77 104.12 22.78 7.29 103.41 22.11 7.09 105.14 24.52 5.89 106.14 25.24 5.82 105.24 23.08 6.39 105.19 22.10 5.22 2 0 7.47-999 ?-999 ?-999 ? CH3 ACT D 203 mSER~D 78 103.92 24.94 5.57 103.20 24.25 5.67 104.01 27.34 6.19 104.68 28.36 5.94 103.68 26.31 5.10 102.23 26.46 4.64 2 0 -5.58-999 ?-999 ?-999 ? CH3 ACT D 203s mLEU~D 79 103.54 27.09 7.39 102.95 26.28 7.44 105.34 28.08 8.70 105.85 29.18 8.92 103.84 27.92 8.54 103.26 27.19 9.74 3 0 8.70-999 ?-999 ?-999 ? O ACT D 203 mASN~D 80 106.07 26.97 8.58 105.55 26.14 8.37 108.30 27.62 7.61 109.10 28.52 7.83 107.50 27.02 8.75 108.05 25.63 9.08 2 0 10.86-999 ?-999 ?-999 ? CH3 ACT D 203 mTYR~D 81 108.10 27.10 6.40 107.30 26.50 6.35 108.37 28.32 4.24 108.99 28.58 3.22 108.98 27.38 5.26 109.41 26.09 4.55 3 0 10.25-999 ?-999 ?-999 ? CH3 ACT D 203 mGLY~D 82 107.18 28.82 4.53 106.88 28.59 5.45 106.77 31.08 3.66 107.91 31.42 3.95 106.39 29.62 3.60-999.99-999.99-999.99 1 0 8.51-999 ?-999 ?-999 ? CH3 ACT D 203 mASN.D 83 105.78 31.93 3.42 104.89 31.49 3.33 105.80 34.07 4.64 105.85 35.28 4.69 105.99 33.37 3.29 104.95 33.98 2.32 2 0 10.86-999 ?-999 ?-999 ? CH3 ACT D 203 mASP~D 84 105.53 33.32 5.70 105.63 32.34 5.54 103.82 34.79 6.81 103.63 35.81 7.49 105.11 33.93 6.99 106.26 34.73 7.63 2 0 12.09-999 ?-999 ?-999 ? CH3 ACT D 203 mGLY~D 85 102.95 34.37 5.87 103.24 33.56 5.36 100.67 34.82 6.74 99.88 35.70 7.09 101.68 35.07 5.63-999.99-999.99-999.99 1 0 11.46-999 ?-999 ?-999 ? CH3 ACT D 203 mTYR~D 86 100.68 33.61 7.28 101.28 32.95 6.83 100.25 34.19 9.65 99.39 34.77 10.34 99.84 33.32 8.44 99.95 31.86 8.83 3 0 10.83-999 ?-999 ?-999 ? O ACT D 203 mGLU~D 87 101.56 34.29 9.89 102.15 33.80 9.25 101.71 36.55 10.80 101.25 37.26 11.72 102.04 35.07 11.04 103.55 34.87 11.28 2 0 14.11-999 ?-999 ?-999 ? O ACT D 203 mMETD 88 101.93 37.00 9.57 102.37 36.34 8.96 100.11 38.72 9.56 99.89 39.76 10.21 101.56 38.35 9.16 101.79 38.57 7.67 2 0 15.90-999 ?-999 ?-999 ? O ACT D 203 mVAL~D 89 99.12 37.89 9.19 99.41 37.06 8.71 97.39 38.12 11.00 96.65 38.95 11.52 97.73 38.25 9.51 96.64 37.58 8.62 3 0 15.60-999 ?-999 ?-999 ? O ACT D 203 mPHE~D 90 97.93 37.08 11.64 98.42 36.45 11.04 98.30 38.13 13.85 97.59 38.66 14.71 97.81 36.88 13.10 98.58 35.64 13.60 3 0 16.29-999 ?-999 ?-999 ? O ACT D 203 mSER~D 91 99.48 38.60 13.48 99.94 38.04 12.79 99.14 41.03 13.79 98.89 41.82 14.72 100.05 39.83 14.02 101.43 40.09 13.41 2 0 19.29-999 ?-999 ?-999 ? O ACT D 203 mARG~D 92 98.67 41.19 12.56 98.93 40.47 11.91 96.50 42.36 12.99 96.02 43.42 13.42 97.83 42.34 12.22 97.58 42.44 10.72 2 0 20.46-999 ?-999 ?-999 ? O ACT D 203 mMETD 93 95.90 41.19 13.13 96.37 40.41 12.72 94.81 41.44 15.31 93.93 42.08 15.89 94.65 41.08 13.84 94.05 39.69 13.67 2 0 20.46-999 ?-999 ?-999 ? O ACT D 203 mLYS~D 94 95.95 41.04 15.89 96.52 40.50 15.28 96.29 42.88 17.53 95.61 43.33 18.46 96.34 41.37 17.26 97.73 40.80 17.58 2 0 22.47-999 ?-999 ?-999 ? O ACT D 203 mGLU~D 95 96.99 43.68 16.72 97.47 43.21 15.98 95.60 45.78 16.80 95.32 46.82 17.40 97.01 45.13 16.94 98.07 45.83 16.07 2 0 25.26-999 ?-999 ?-999 ? O ACT D 203 mLYS~D 96 94.72 45.14 16.04 95.04 44.27 15.67 92.24 44.73 16.09 91.80 44.63 17.24 93.39 45.70 15.79 93.30 46.24 14.35 2 0 25.57-999 ?-999 ?-999 ? O ACT D 203 mLYS.E 4 97.16 52.73 26.38 96.87 53.12 25.51 96.52 52.17 28.82 95.83 53.17 29.02 97.59 52.14 27.72 98.86 52.82 28.26 2 0 32.81-999 ?-999 ?-999 ? OXT ACT F 201 mILE.E 5 96.44 51.08 29.58 97.10 50.36 29.35 95.93 51.59 31.98 95.10 51.91 32.82 95.46 50.97 30.65 95.03 49.51 30.86 3 0 29.43-999 ?-999 ?-999 ? OXT ACT F 201 mARG.E 6 97.26 51.76 32.17 97.82 51.48 31.39 97.60 53.83 33.52 98.42 54.60 33.03 97.79 52.33 33.43 99.28 52.01 33.60 2 0 31.05-999 ?-999 ?-999 ? OXT ACT F 201 mTHR~E 7 96.52 54.24 34.17 95.98 53.49 34.57 95.38 55.81 35.58 94.83 54.86 36.16 96.15 55.63 34.31 95.20 56.14 33.21 2 0 31.74-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~E 8 95.32 57.06 36.00 95.78 57.72 35.40 93.14 57.17 37.14 92.53 56.91 38.17 94.64 57.44 37.20 94.92 58.92 37.44 2 0 31.45-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~E 9 92.56 57.23 35.95 93.17 57.48 35.20 90.87 55.45 35.99 89.92 55.06 36.70 91.12 56.95 35.78 90.62 57.37 34.38 2 0 29.15-999 ?-999 ?-999 ? OXT ACT F 201 mVAL~E 10 91.73 54.62 35.39 92.40 55.06 34.79 91.88 52.83 37.10 91.16 51.99 37.65 91.66 53.19 35.61 92.57 52.41 34.66 3 0 26.68-999 ?-999 ?-999 ? OXT ACT F 201 mASP~E 11 92.85 53.49 37.75 93.43 54.05 37.16 91.70 53.60 39.95 91.40 52.87 40.90 93.02 53.37 39.21 94.05 54.35 39.76 2 0 27.14-999 ?-999 ?-999 ? OXT ACT F 201 mHIS~E 12 90.94 54.63 39.58 91.29 55.14 38.79 88.71 53.83 40.07 88.05 53.39 41.01 89.68 54.94 40.30 89.05 56.28 39.90 3 0 26.08-999 ?-999 ?-999 ? OXT ACT F 201 mLEU~E 13 88.60 53.39 38.83 89.14 53.88 38.15 88.06 51.04 39.42 87.16 50.39 39.96 87.72 52.26 38.53 87.83 51.86 37.05 3 0 22.96-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~E 14 89.35 50.76 39.59 89.97 51.39 39.11 89.49 49.82 41.88 89.11 48.87 42.57 89.80 49.63 40.39 91.28 49.33 40.16 3 0 22.13-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~E 15 89.67 51.05 42.36 90.15 51.65 41.73 87.73 51.19 43.91 87.36 50.78 45.00 89.20 51.47 43.68 89.36 52.98 43.85 2 0 23.10-999 ?-999 ?-999 ? OXT ACT F 201 mALA~E 16 86.89 51.41 42.90 87.30 51.82 42.09 85.35 49.56 43.13 84.58 49.06 43.95 85.49 51.07 43.01 84.70 51.57 41.79 2 0 20.49-999 ?-999 ?-999 ? OXT ACT F 201 mILE~E 17 86.07 48.81 42.28 86.73 49.31 41.72 86.30 46.71 43.54 85.62 45.81 44.06 85.87 47.36 42.23 86.54 46.74 40.97 3 0 17.74-999 ?-999 ?-999 ? OXT ACT F 201 mLEU~E 18 87.39 47.22 44.12 87.80 47.99 43.63 87.00 46.96 46.57 87.12 46.27 47.58 87.92 46.70 45.37 89.33 47.24 45.65 3 0 19.03-999 ?-999 ?-999 ? OXT ACT F 201 mCYH.E 19 86.12 47.95 46.48 86.23 48.47 45.63 83.96 47.25 47.50 83.15 47.24 48.43 85.11 48.24 47.49 84.47 49.60 47.22 2 0 18.80-999 ?-999 ?-999 ? OXT ACT F 201 mLEU.E 20 83.80 46.46 46.43 84.51 46.56 45.73 82.87 44.48 47.40 83.97 43.95 47.48 82.64 45.54 46.36 82.47 44.92 44.98 3 0 14.99-999 ?-999 ?-999 ? OXT ACT F 201 mLYS.E 21 81.85 44.19 48.20 80.99 44.63 47.95 81.65 41.84 49.08 82.06 40.95 49.82 82.01 43.29 49.36 81.11 43.74 50.50 2 0 14.28-999 ?-999 ?-999 ? OXT ACT F 201 mASN~E 22 80.81 41.60 48.09 80.61 42.37 47.49 79.67 40.09 46.56 79.58 41.03 45.78 80.25 40.27 47.95 79.19 40.00 49.07 2 0 10.64-999 ?-999 ?-999 ? OXT ACT F 201 mLYS~E 23 79.29 38.86 46.22 79.38 38.18 46.95 77.60 39.46 44.41 77.54 39.90 43.24 78.81 38.58 44.90 78.41 37.12 44.88 2 0 -7.18-999 ?-999 ?-999 ? OXT ACT F 201s mGLU~E 24 76.61 39.66 45.28 76.77 39.24 46.17 75.78 41.91 44.54 75.19 42.49 43.65 75.42 40.46 44.88 74.32 40.42 45.97 2 0 7.22-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~E 25 76.75 42.47 45.24 77.10 41.89 45.98 77.99 43.84 43.61 77.90 44.86 42.89 77.26 43.80 44.94 78.17 44.32 46.07 2 0 10.70-999 ?-999 ?-999 ? OXT ACT F 201 mCYH~E 26 78.72 42.76 43.26 78.86 42.10 44.00 78.14 42.65 40.77 78.27 43.33 39.75 79.24 42.64 41.87 80.10 41.37 41.68 2 0 10.00-999 ?-999 ?-999 ? OXT ACT F 201 mTYR~E 27 77.10 41.85 40.94 77.17 41.23 41.72 75.40 43.36 39.95 75.13 43.88 38.86 75.96 41.90 40.01 74.82 40.93 40.38 3 0 8.28-999 ?-999 ?-999 ? OXT ACT F 201 mTHR~E 28 75.19 43.97 41.10 75.42 43.42 41.91 75.57 46.31 40.34 75.08 47.07 39.50 74.67 45.34 41.16 74.57 45.83 42.60 2 0 11.34-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~E 29 76.87 46.24 40.58 77.15 45.53 41.22 78.06 46.78 38.50 77.89 47.63 37.60 77.80 47.14 39.97 79.10 47.20 40.77 3 0 13.74-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~E 30 78.41 45.53 38.22 78.39 44.88 38.98 77.64 45.24 35.88 77.84 45.51 34.71 78.79 45.19 36.86 79.61 43.91 36.77 3 0 12.96-999 ?-999 ?-999 ? O ACT F 201 mGLU~E 31 76.42 44.99 36.37 76.39 44.73 37.33 75.01 46.55 35.11 74.43 46.81 34.07 75.26 45.08 35.50 74.00 44.49 36.14 2 0 12.15-999 ?-999 ?-999 ? O ACT F 201 mASP~E 32 75.40 47.48 35.97 75.79 47.12 36.82 76.34 49.35 34.70 76.05 50.09 33.78 75.26 48.90 35.69 75.36 49.75 36.97 2 0 15.64-999 ?-999 ?-999 ? O ACT F 201 mVAL~E 33 77.57 48.89 34.90 77.65 48.18 35.60 78.94 48.69 32.83 79.57 49.25 31.95 78.70 49.39 34.15 79.98 49.51 34.99 3 0 17.41-999 ?-999 ?-999 ? O ACT F 201 mCYH~E 34 78.43 47.47 32.67 77.88 47.15 33.44 77.38 46.35 30.80 76.35 46.31 31.45 78.66 46.68 31.46 79.28 45.32 31.81 2 0 16.32-999 ?-999 ?-999 ? O ACT F 201 mTHR~E 35 77.43 46.01 29.53 78.30 46.20 29.07 76.27 43.90 29.25 77.30 43.35 29.73 76.27 45.39 28.92 76.28 45.57 27.39 2 0 15.23-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~E 36 75.14 43.26 29.01 74.40 43.87 28.72 76.06 41.08 28.34 76.75 40.22 28.89 74.99 41.83 29.15 73.56 41.35 28.73 3 0 12.59-999 ?-999 ?-999 ? CH3 ACT B 202 mASN~E 37 76.18 41.39 27.04 75.56 42.09 26.70 78.64 40.92 26.66 79.48 40.03 26.48 77.18 40.70 26.21 77.03 41.05 24.71 2 0 13.22-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~E 38 78.96 42.09 27.20 78.22 42.76 27.23 80.59 41.42 28.91 81.67 40.83 29.05 80.32 42.33 27.70 80.48 43.78 28.15 2 0 16.63-999 ?-999 ?-999 ? O ACT F 201 mLEU~E 39 79.59 41.33 29.79 78.73 41.75 29.51 79.91 39.17 30.75 80.83 38.49 31.20 79.81 40.66 31.06 78.66 40.99 32.05 3 0 13.13-999 ?-999 ?-999 ? O ACT F 201 mLEU~E 40 79.04 38.71 29.87 78.37 39.39 29.56 80.35 36.98 28.67 80.81 35.83 28.79 79.06 37.34 29.40 77.82 37.01 28.55 3 0 12.76-999 ?-999 ?-999 ? O ACT F 201 mSER~E 41 80.95 37.94 27.94 80.48 38.82 27.94 83.36 37.48 28.19 84.24 36.64 27.97 82.20 37.69 27.22 82.50 38.87 26.28 2 0 16.28-999 ?-999 ?-999 ? O ACT F 201 mLEU~E 42 83.36 38.25 29.28 82.61 38.91 29.34 84.29 36.75 30.98 85.31 36.12 31.28 84.41 38.11 30.27 84.32 39.22 31.31 3 0 15.64-999 ?-999 ?-999 ? O ACT F 201 mSER~E 43 83.05 36.35 31.30 82.32 36.98 31.02 83.10 33.90 31.08 83.61 32.85 31.51 82.80 35.08 32.01 81.36 35.04 32.55 2 0 12.76-999 ?-999 ?-999 ? CH3 ACT F 201 mGLN~E 44 82.79 34.06 29.79 82.23 34.85 29.58 84.86 32.93 28.81 85.37 31.82 28.85 83.30 33.08 28.80 82.79 33.40 27.39 2 0 15.12-999 ?-999 ?-999 ? CH3 ACT F 201 mARG~E 45 85.62 34.03 28.75 85.10 34.88 28.67 87.60 33.30 30.06 88.51 32.46 30.01 87.09 33.95 28.79 87.75 35.31 28.55 2 0 17.82-999 ?-999 ?-999 ? CH3 ACT F 201 mPHE~E 46 86.94 33.62 31.18 86.18 34.25 31.07 87.12 31.57 32.49 88.02 30.83 32.93 87.34 33.07 32.46 86.61 33.76 33.63 3 0 15.76-999 ?-999 ?-999 ? CH3 ACT F 201 mGLU~E 47 85.96 31.11 32.02 85.30 31.82 31.77 86.69 28.94 30.89 87.14 27.81 31.12 85.73 29.65 31.89 84.27 29.32 31.50 2 0 14.87-999 ?-999 ?-999 ? CH3 ACT F 201 mVAL~E 48 86.97 29.59 29.77 86.45 30.44 29.65 89.35 28.99 29.48 90.04 27.96 29.38 87.96 29.09 28.82 88.03 30.00 27.59 3 0 18.56-999 ?-999 ?-999 ? CH3 ACT F 201 mALA~E 49 89.75 30.05 30.18 89.12 30.82 30.18 91.11 28.82 31.83 92.11 28.09 31.86 91.04 30.01 30.89 91.28 31.30 31.64 2 0 19.81-999 ?-999 ?-999 ? CH3 ACT F 201 mLYS~E 50 90.03 28.58 32.57 89.29 29.24 32.46 90.18 26.08 32.72 91.01 25.25 33.13 90.00 27.41 33.48 88.71 27.38 34.33 2 0 18.20-999 ?-999 ?-999 ? CH3 ACT F 201 mMETE 51 89.43 25.88 31.64 88.85 26.65 31.37 90.81 24.38 30.22 91.32 23.26 30.17 89.47 24.58 30.92 88.32 24.47 29.91 2 0 19.76-999 ?-999 ?-999 ? CH3 ACT F 201 mLEU~E 52 91.39 25.45 29.68 90.82 26.28 29.71 93.79 24.92 30.14 94.64 24.04 29.88 92.75 25.37 29.09 93.16 26.71 28.48 3 0 23.05-999 ?-999 ?-999 ? CH3 ACT F 201 mTHR~E 53 93.69 25.49 31.34 92.95 26.15 31.42 94.41 23.70 32.81 95.35 23.00 33.17 94.62 25.16 32.43 94.39 26.07 33.67 2 0 23.30-999 ?-999 ?-999 ? CH3 ACT F 201 mASP~E 54 93.16 23.24 32.73 92.50 23.95 32.47 93.06 20.88 31.83 92.57 19.76 31.83 92.79 21.83 32.99 91.31 21.75 33.38 2 0 22.75-999 ?-999 ?-999 ? CH3 ACT F 201 mLYS.E 55 93.83 21.33 30.85 94.12 22.27 31.00 93.12 19.97 28.81 93.28 18.90 28.22 94.23 20.51 29.67 95.18 19.34 30.02 2 0 25.77-999 ?-999 ?-999 ? CH3 ACT F 201 mARG.E 56 92.02 20.68 28.70 92.02 21.51 29.26 91.21 20.62 26.35 92.01 21.52 26.08 90.90 20.27 27.82 89.63 20.97 28.27 2 0 24.26-999 ?-999 ?-999 ? CH3 ACT F 201 mTHR~E 57 90.59 19.89 25.43 89.97 19.20 25.81 90.01 21.32 23.54 89.07 21.75 24.23 90.81 20.08 23.99 90.35 18.86 23.20 2 0 22.52-999 ?-999 ?-999 ? O ACT D 203 mTYR~E 58 90.39 21.91 22.41 91.19 21.51 21.96 88.18 22.67 21.62 87.27 23.49 21.76 89.63 23.07 21.90 90.27 23.66 20.63 3 0 20.70-999 ?-999 ?-999 ? O ACT D 203 mLEU~E 59 87.96 21.43 21.19 88.78 20.86 21.10 85.73 21.01 22.19 84.62 21.54 22.23 86.57 21.02 20.90 86.46 19.70 20.11 3 0 21.50-999 ?-999 ?-999 ? O ACT D 203 mASP~E 60 86.31 20.47 23.27 87.25 20.16 23.15 85.24 21.77 25.04 84.14 22.03 25.53 85.55 20.39 24.54 86.33 19.60 25.61 2 0 22.95-999 ?-999 ?-999 ? CH3 ACT F 201 mILE~E 61 86.23 22.65 24.93 87.08 22.29 24.55 84.97 24.74 24.51 84.07 25.42 25.05 86.05 24.04 25.34 87.38 24.79 25.26 3 0 21.03-999 ?-999 ?-999 ? CH3 ACT F 201 mSER~E 62 85.04 24.57 23.20 85.81 23.99 22.90 82.63 24.69 22.57 81.70 25.49 22.72 84.08 25.16 22.29 84.46 24.82 20.85 2 0 21.99-999 ?-999 ?-999 ? CH3 ACT F 201 mGLU~E 63 82.46 23.38 22.67 83.28 22.84 22.51 80.59 23.33 24.33 79.44 23.80 24.40 81.15 22.82 22.98 81.23 21.30 22.91 2 0 21.09-999 ?-999 ?-999 ? CH3 ACT F 201 mLYS~E 64 81.42 23.29 25.39 82.32 22.92 25.18 80.76 25.27 26.78 79.79 25.70 27.37 81.00 23.76 26.72 82.00 23.31 27.82 2 0 17.58-999 ?-999 ?-999 ? CH3 ACT F 201 mTHR~E 65 81.62 26.08 26.17 82.30 25.62 25.59 80.99 28.31 25.17 80.78 29.53 25.29 81.53 27.53 26.37 82.89 28.17 26.65 2 0 16.71-999 ?-999 ?-999 ? CH3 ACT F 201 mGLY~E 66 80.85 27.64 24.02 80.96 26.65 24.13 81.71 29.12 22.16 81.57 29.75 21.11 80.55 28.30 22.73-999.99-999.99-999.99 1 0 17.96-999 ?-999 ?-999 ? CH3 ACT B 202 mALA.E 67 82.86 29.16 22.81 82.87 28.64 23.66 84.54 29.43 20.92 84.69 28.22 20.70 84.01 29.94 22.28 85.18 29.99 23.34 2 0 20.48-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~E 68 84.85 30.34 20.00 84.61 31.27 20.26 86.96 29.67 18.96 87.51 29.95 20.01 85.47 29.95 18.73 85.38 31.10 17.73 2 0 21.03-999 ?-999 ?-999 ? O ACT D 203 mTHR~E 69 87.63 29.15 17.96 87.08 28.88 17.17 89.78 30.32 18.29 90.70 30.36 19.10 89.06 29.00 18.05 89.58 28.24 16.85 2 0 18.24-999 ?-999 ?-999 ? O ACT D 203 mALA~E 70 89.37 31.39 17.59 88.59 31.24 16.98 89.94 33.11 19.22 90.94 33.54 19.79 90.04 32.68 17.74 89.44 33.74 16.85 2 0 18.88-999 ?-999 ?-999 ? O ACT D 203 mTHR~E 71 88.78 32.93 19.81 88.08 32.54 19.22 89.43 32.48 22.17 90.07 33.04 23.06 88.57 33.30 21.22 87.05 33.23 21.65 2 0 22.53-999 ?-999 ?-999 ? O ACT D 203 mILE~E 72 89.42 31.16 21.99 88.84 30.86 21.24 91.71 30.56 22.72 92.40 30.64 23.73 90.20 30.25 22.82 89.95 28.78 22.44 3 0 22.18-999 ?-999 ?-999 ? O ACT D 203 mSER~E 73 92.19 30.74 21.48 91.51 30.58 20.76 93.97 32.41 21.91 95.07 32.48 22.48 93.56 31.13 21.18 93.74 31.32 19.65 2 0 19.97-999 ?-999 ?-999 ? O ACT D 203 mARG~E 74 93.11 33.40 21.90 92.28 33.23 21.38 93.53 34.44 24.12 94.50 34.94 24.73 93.39 34.64 22.60 92.32 35.67 22.34 2 0 22.72-999 ?-999 ?-999 ? O ACT D 203 mVAL~E 75 92.60 33.69 24.72 91.84 33.40 24.13 94.07 32.58 26.39 94.83 32.88 27.33 92.75 33.35 26.14 91.55 32.55 26.68 3 0 23.80-999 ?-999 ?-999 ? CH3 ACT F 201 mASN~E 76 94.36 31.61 25.53 93.68 31.47 24.82 96.87 31.69 25.66 97.85 31.45 26.40 95.60 30.82 25.65 95.68 29.79 24.51 2 0 23.69-999 ?-999 ?-999 ? O ACT D 203 mARG~E 77 96.89 32.69 24.80 96.10 32.72 24.19 98.17 34.41 26.11 99.30 34.59 26.59 98.00 33.64 24.77 97.77 34.63 23.63 2 0 23.69-999 ?-999 ?-999 ? O ACT D 203 mSER~E 78 97.06 34.88 26.70 96.22 34.78 26.16 97.65 34.56 29.08 98.47 34.94 29.89 97.13 35.51 28.04 95.79 36.04 28.51 2 0 26.65-999 ?-999 ?-999 ? CH3 ACT F 201 mLEU~E 79 97.17 33.33 29.08 96.42 33.18 28.43 99.20 32.15 29.88 99.86 31.93 30.90 97.71 32.31 29.97 97.03 30.96 29.71 3 0 26.09-999 ?-999 ?-999 ? CH3 ACT F 201 mASN~E 80 99.75 32.22 28.66 99.14 32.58 27.95 102.10 32.94 28.31 103.31 32.75 28.50 101.12 31.80 28.42 101.21 30.91 27.17 2 0 26.63-999 ?-999 ?-999 ? O ACT D 203 mTYR~E 81 101.58 34.12 27.96 100.59 34.11 27.85 101.94 36.49 28.56 102.47 37.58 28.40 102.41 35.29 27.76 102.49 35.65 26.27 3 0 27.41-999 ?-999 ?-999 ? O ACT D 203 mGLY~E 82 100.97 36.30 29.45 100.68 35.35 29.58 100.99 37.59 31.57 102.18 37.35 31.79 100.40 37.44 30.17-999.99-999.99-999.99 1 0 28.93-999 ?-999 ?-999 ? OXT ACT F 201 mASN.E 83 100.15 37.99 32.52 99.19 37.99 32.24 100.50 37.33 34.90 100.74 37.62 36.07 100.61 38.39 33.85 99.78 39.59 34.31 2 0 27.97-999 ?-999 ?-999 ? OXT ACT F 201 mASP~E 84 100.13 36.11 34.49 100.10 36.01 33.50 98.62 35.40 36.35 98.55 34.89 37.48 99.79 35.02 35.42 101.02 34.59 36.23 2 0 26.44-999 ?-999 ?-999 ? OXT ACT F 201 mGLY~E 85 97.74 36.30 35.88 97.92 36.62 34.94 95.55 35.70 36.84 94.94 35.62 37.91 96.61 36.78 36.65-999.99-999.99-999.99 1 0 23.20-999 ?-999 ?-999 ? OXT ACT F 201 mTYR~E 86 95.31 34.90 35.79 95.79 35.16 34.95 94.91 32.78 36.95 94.11 32.32 37.78 94.42 33.75 35.90 94.28 33.00 34.56 3 0 21.12-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~E 87 96.22 32.47 36.90 96.71 32.93 36.16 96.70 32.05 39.26 96.35 31.29 40.17 96.86 31.56 37.84 98.36 31.41 37.53 2 0 23.16-999 ?-999 ?-999 ? CH3 ACT F 201 mMETE 88 96.95 33.34 39.44 97.19 33.82 38.60 95.48 33.76 41.36 95.39 33.34 42.51 96.87 33.99 40.75 97.20 35.49 40.61 2 0 22.74-999 ?-999 ?-999 ? OXT ACT F 201 mVAL~E 89 94.40 33.99 40.60 94.58 34.27 39.65 92.67 32.37 41.30 91.99 31.98 42.28 93.07 33.83 41.19 91.96 34.68 40.51 3 0 18.93-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~E 90 93.09 31.55 40.34 93.58 31.97 39.58 93.35 29.53 41.78 92.65 28.73 42.41 92.80 30.13 40.47 93.31 29.29 39.31 3 0 19.03-999 ?-999 ?-999 ? CH3 ACT F 201 mSER~E 91 94.58 29.87 42.18 95.06 30.52 41.59 94.41 29.74 44.68 94.17 28.95 45.58 95.13 29.27 43.43 96.64 29.44 43.60 2 0 21.56-999 ?-999 ?-999 ? OXT ACT F 201 mARG~E 92 94.05 31.02 44.71 94.39 31.55 43.93 91.88 30.95 45.94 91.48 30.67 47.07 93.24 31.61 45.76 93.06 33.11 45.53 2 0 19.63-999 ?-999 ?-999 ? OXT ACT F 201 mMETE 93 91.21 30.67 44.83 91.66 30.98 44.00 90.06 28.50 45.25 89.14 27.89 45.81 89.92 29.98 44.85 89.22 30.14 43.50 2 0 16.55-999 ?-999 ?-999 ? OXT ACT F 201 mLYS~E 94 91.23 27.93 44.94 91.82 28.52 44.39 91.77 26.52 46.89 91.38 25.52 47.51 91.60 26.59 45.37 92.90 26.20 44.66 2 0 19.15-999 ?-999 ?-999 ? CH3 ACT F 201 mGLU~E 95 92.35 27.57 47.50 92.65 28.28 46.86 91.18 27.76 49.65 90.90 27.01 50.59 92.53 27.65 48.96 93.36 28.86 49.37 2 0 20.70-999 ?-999 ?-999 ? OXT ACT F 201 mLYS~E 96 90.36 28.71 49.19 90.75 29.25 48.45 88.15 27.67 49.58 87.25 27.42 50.40 89.02 28.92 49.74 88.36 30.15 49.12 2 0 17.58-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~E 97 88.46 26.88 48.57 89.20 27.22 47.99 88.12 24.55 49.38 87.30 23.66 49.64 87.78 25.62 48.33 88.11 25.11 46.94 2 0 17.15-999 ?-999 ?-999 ? CH3 ACT F 201 mTHR~E 98 89.30 24.64 50.00 89.81 25.47 49.78 89.03 23.49 52.28 89.00 22.43 52.91 89.78 23.58 50.92 91.35 23.56 51.11 2 0 20.76-999 ?-999 ?-999 ? CH3 ACT F 201 mALA~E 99 88.41 24.60 52.70 88.56 25.38 52.09 87.78 23.56 54.94 88.88 23.35 55.46 87.60 24.70 53.94 86.12 24.86 53.60 2 0 20.34-999 ?-999 ?-999 ? OXT ACT F 201 mLYS.F 3 71.16 36.29 27.12 71.66 35.60 26.60 70.48 37.19 29.46 70.41 38.19 30.18 70.41 37.33 27.91 68.95 37.47 27.43 2 0 -7.03-999 ?-999 ?-999 ? CH3 ACT B 202s mLYS.F 4 70.66 35.98 29.96 70.73 35.26 29.26 72.18 35.95 31.97 73.13 35.27 31.55 70.75 35.74 31.40 70.25 34.31 31.69 2 0 8.96-999 ?-999 ?-999 ? O ACT B 202 mILE.F 5 72.35 36.88 32.91 71.54 37.41 33.14 73.83 36.31 34.84 74.95 36.04 35.28 73.68 37.05 33.52 74.08 38.55 33.76 3 0 7.27-999 ?-999 ?-999 ? O ACT F 201 mARG.F 6 72.71 36.04 35.50 71.85 36.29 35.05 73.08 33.92 36.65 72.16 33.12 36.65 72.81 35.42 36.81 71.58 35.74 37.66 2 0 -3.57-999 ?-999 ?-999 ? O ACT F 201s mTHR~F 7 74.34 33.57 36.48 74.99 34.33 36.56 75.92 31.77 37.04 76.67 32.61 37.51 74.72 32.18 36.19 75.15 32.05 34.72 2 0 4.45-999 ?-999 ?-999 ? CH3 ACT F 201 mGLU~F 8 76.14 30.48 37.22 75.41 29.89 36.86 78.66 30.49 37.31 79.62 30.77 38.08 77.35 29.99 37.89 77.40 28.49 37.82 2 0 4.80-999 ?-999 ?-999 ? CH3 ACT F 201 mGLU~F 9 78.73 30.58 35.98 77.92 30.26 35.50 80.28 32.58 35.70 81.47 32.91 35.93 79.92 31.13 35.32 79.77 31.03 33.78 2 0 8.04-999 ?-999 ?-999 ? CH3 ACT F 201 mVAL~F 10 79.30 33.48 35.66 78.44 33.12 35.30 79.81 34.82 37.64 80.73 35.54 38.08 79.49 34.85 36.12 78.28 35.71 35.77 3 0 7.67-999 ?-999 ?-999 ? C ACT F 201 mASP~F 11 79.12 33.96 38.41 78.38 33.47 37.95 80.99 33.57 39.96 81.65 34.21 40.78 79.48 33.81 39.83 78.73 32.67 40.53 2 0 -5.70-999 ?-999 ?-999 ? OXT ACT F 201s mHIS~F 12 81.52 32.63 39.17 80.91 32.24 38.48 83.82 33.44 38.94 84.89 33.63 39.52 82.92 32.26 39.34 83.33 31.02 38.51 3 0 9.15-999 ?-999 ?-999 ? CH3 ACT F 201 mLEU~F 13 83.43 34.18 37.91 82.60 33.86 37.46 84.21 36.38 38.71 85.24 36.94 39.06 84.21 35.38 37.53 83.62 36.03 36.27 3 0 11.03-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~F 14 83.04 36.54 39.35 82.29 35.98 39.00 83.72 37.00 41.68 84.33 37.81 42.38 82.92 37.47 40.46 81.43 37.70 40.85 3 0 9.51-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 15 83.77 35.69 41.89 83.21 35.13 41.28 86.07 35.51 42.73 86.79 35.85 43.67 84.60 35.15 42.96 84.45 33.65 43.02 2 0 10.56-999 ?-999 ?-999 ? OXT ACT F 201 mALA~F 16 86.52 35.46 41.48 85.85 35.15 40.79 88.09 37.34 41.45 89.08 37.72 42.06 87.88 35.85 41.17 88.24 35.53 39.70 2 0 13.86-999 ?-999 ?-999 ? OXT ACT F 201 mILE~F 17 87.17 38.17 40.99 86.41 37.73 40.51 87.30 39.93 42.66 88.14 40.67 43.07 87.27 39.61 41.17 86.17 40.37 40.40 3 0 14.26-999 ?-999 ?-999 ? OXT ACT F 201 mLEU~F 18 86.50 39.25 43.47 85.94 38.57 43.01 87.74 39.13 45.67 87.98 39.64 46.77 86.46 39.52 44.92 85.23 38.87 45.59 3 0 13.82-999 ?-999 ?-999 ? OXT ACT F 201 mCYH.F 19 88.54 38.23 45.09 88.15 37.90 44.23 90.97 38.76 45.49 92.03 38.61 46.12 89.83 37.75 45.60 90.27 36.57 44.74 2 0 16.54-999 ?-999 ?-999 ? OXT ACT F 201 mLEU.F 20 90.80 39.73 44.59 89.91 39.71 44.15 91.93 41.65 45.51 90.91 42.03 46.06 91.86 40.72 44.31 91.51 41.51 43.04 3 0 19.08-999 ?-999 ?-999 ? OXT ACT F 201 mLYS.F 21 93.12 42.04 45.96 93.92 41.74 45.43 93.74 44.24 47.08 93.72 44.97 48.06 93.14 42.85 47.17 93.73 42.08 48.34 2 0 21.60-999 ?-999 ?-999 ? OXT ACT F 201 mASN~F 22 94.25 44.62 45.90 94.21 43.92 45.19 94.82 46.34 44.23 94.54 45.49 43.40 94.80 45.97 45.72 96.18 46.09 46.38 2 0 24.16-999 ?-999 ?-999 ? OXT ACT F 201 mLYS~F 23 95.07 47.60 43.90 95.22 48.19 44.70 96.09 47.18 41.67 95.84 46.93 40.49 95.13 48.05 42.50 95.68 49.49 42.43 2 0 25.23-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 24 97.20 46.77 42.26 97.23 46.98 43.24 97.71 44.76 40.99 97.84 44.46 39.81 98.26 46.08 41.51 99.53 45.85 42.35 2 0 26.95-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 25 97.04 44.02 41.87 97.05 44.38 42.80 95.25 42.98 40.48 95.00 42.10 39.61 96.37 42.77 41.47 95.84 42.03 42.70 2 0 23.87-999 ?-999 ?-999 ? OXT ACT F 201 mCYH~F 26 94.53 44.10 40.60 94.71 44.66 41.41 94.18 44.58 38.17 93.65 44.04 37.18 93.54 44.42 39.56 92.75 45.68 39.91 2 0 22.11-999 ?-999 ?-999 ? OXT ACT F 201 mTYR~F 27 95.27 45.34 38.08 95.55 45.80 38.93 96.39 44.06 36.30 96.10 43.72 35.14 95.98 45.46 36.81 97.18 46.40 36.93 3 0 25.14-999 ?-999 ?-999 ? OXT ACT F 201 mTHR~F 28 97.00 43.26 37.17 97.13 43.68 38.07 96.28 41.06 36.21 96.42 40.52 35.10 97.44 41.90 36.86 98.00 41.24 38.12 2 0 25.08-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~F 29 95.16 40.96 36.91 95.17 41.47 37.77 93.27 40.79 35.27 93.04 40.12 34.28 94.03 40.17 36.44 93.06 39.91 37.58 3 0 21.49-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~F 30 92.88 42.06 35.38 93.17 42.52 36.22 92.82 42.85 32.98 92.20 42.77 31.92 92.07 42.67 34.32 91.39 43.96 34.80 3 0 21.26-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 31 94.14 43.05 33.02 94.51 43.17 33.95 94.95 41.74 31.13 95.02 41.65 29.90 94.97 43.09 31.82 96.43 43.44 32.17 2 0 24.82-999 ?-999 ?-999 ? OXT ACT F 201 mASP~F 32 94.90 40.67 31.93 94.91 40.86 32.91 93.44 39.07 30.67 93.41 38.49 29.58 94.82 39.34 31.32 95.13 38.21 32.31 2 0 23.79-999 ?-999 ?-999 ? OXT ACT F 201 mVAL~F 33 92.37 39.48 31.35 92.58 40.06 32.14 90.38 40.06 29.94 89.53 39.65 29.15 91.00 39.10 30.97 90.02 38.97 32.17 3 0 20.68-999 ?-999 ?-999 ? OXT ACT F 201 mCYH~F 34 90.81 41.32 29.96 91.54 41.48 30.63 91.27 42.78 28.01 92.48 42.67 28.22 90.27 42.35 29.06 89.86 43.60 29.85 2 0 22.15-999 ?-999 ?-999 ? O ACT F 201 mTHR~F 35 90.77 43.30 26.89 89.79 43.16 26.77 91.82 45.44 26.50 91.08 45.87 27.39 91.62 44.02 25.94 90.94 44.16 24.56 2 0 25.46-999 ?-999 ?-999 ? O ACT F 201 mILE~F 36 92.80 46.15 25.94 93.37 45.64 25.30 91.73 48.39 26.05 91.29 49.10 26.95 93.01 47.56 26.26 94.25 48.14 25.52 3 0 27.87-999 ?-999 ?-999 ? O ACT F 201 mASN~F 37 91.08 48.24 24.90 91.50 47.57 24.28 88.74 48.76 25.58 88.03 49.68 25.97 89.87 49.00 24.59 89.38 48.72 23.15 2 0 27.39-999 ?-999 ?-999 ? O ACT F 201 mGLU~F 38 88.55 47.51 25.99 89.19 46.83 25.63 87.66 47.83 28.26 86.72 48.37 28.84 87.46 47.21 26.89 87.34 45.70 27.09 2 0 23.62-999 ?-999 ?-999 ? O ACT F 201 mLEU~F 39 88.88 47.72 28.80 89.54 47.24 28.22 89.06 49.81 30.07 88.54 50.45 31.00 89.17 48.28 30.12 90.59 47.86 30.59 3 0 23.77-999 ?-999 ?-999 ? O ACT F 201 mLEU~F 40 89.53 50.38 28.97 89.96 49.76 28.32 87.95 52.29 28.65 87.61 53.38 29.12 89.40 51.82 28.79 90.24 52.31 27.59 3 0 26.72-999 ?-999 ?-999 ? O ACT F 201 mSER~F 41 87.11 51.48 28.00 87.53 50.66 27.63 84.99 51.87 29.20 84.21 52.78 29.48 85.67 51.83 27.86 84.93 50.83 26.98 2 0 25.04-999 ?-999 ?-999 ? O ACT F 201 mLEU~F 42 85.28 50.87 30.04 85.91 50.20 29.65 85.16 51.98 32.24 84.36 52.63 32.92 84.70 50.80 31.40 85.11 49.51 32.11 3 0 22.22-999 ?-999 ?-999 ? O ACT F 201 mSER~F 43 86.46 52.26 32.17 87.01 51.66 31.58 86.40 54.68 32.44 86.17 55.58 33.25 87.01 53.36 32.90 88.50 53.40 32.72 2 0 24.88-999 ?-999 ?-999 ? OXT ACT F 201 mGLN~F 44 86.15 54.79 31.14 86.47 54.03 30.58 84.02 56.04 31.13 83.55 57.12 31.49 85.46 55.97 30.62 85.48 56.03 29.09 2 0 26.94-999 ?-999 ?-999 ? O ACT F 201 mARG~F 45 83.33 54.90 31.15 83.82 54.09 30.84 81.95 55.38 33.06 81.09 56.19 33.43 81.96 54.91 31.62 81.29 53.55 31.46 2 0 24.23-999 ?-999 ?-999 ? O ACT F 201 mPHE~F 46 82.93 54.93 33.84 83.59 54.34 33.37 83.29 56.76 35.46 82.59 57.40 36.25 83.03 55.27 35.26 84.07 54.37 35.97 3 0 23.94-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 47 84.24 57.35 34.73 84.75 56.73 34.12 83.23 59.60 34.46 82.86 60.55 35.14 84.48 58.80 34.85 85.68 59.28 34.04 2 0 27.72-999 ?-999 ?-999 ? OXT ACT F 201 mVAL~F 48 82.58 59.19 33.38 83.02 58.42 32.91 80.23 59.80 34.05 79.56 60.82 34.27 81.33 59.81 32.95 80.84 59.18 31.61 3 0 28.00-999 ?-999 ?-999 ? O ACT F 201 mALA~F 49 80.07 58.67 34.74 80.69 57.94 34.45 79.32 59.49 36.95 78.37 60.10 37.49 79.06 58.52 35.81 79.05 57.09 36.33 2 0 25.56-999 ?-999 ?-999 ? O ACT F 201 mLYS~F 50 80.59 59.63 37.31 81.23 59.06 36.79 80.66 61.97 38.02 80.15 62.72 38.86 81.01 60.53 38.37 82.52 60.35 38.65 2 0 27.58-999 ?-999 ?-999 ? OXT ACT F 201 mMETF 51 80.91 62.35 36.78 81.26 61.62 36.19 79.21 64.00 36.15 78.74 65.10 36.41 80.69 63.72 36.33 81.44 63.98 35.04 2 0 30.87-999 ?-999 ?-999 ? O ACT F 201 mLEU~F 52 78.47 62.98 35.70 79.00 62.16 35.46 76.40 63.28 36.97 75.51 64.11 37.13 77.02 63.08 35.60 76.41 61.86 34.89 3 0 29.63-999 ?-999 ?-999 ? O ACT F 201 mTHR~F 53 76.86 62.51 37.96 77.56 61.85 37.69 76.77 64.04 39.92 76.02 64.65 40.67 76.35 62.68 39.33 76.73 61.53 40.31 2 0 28.81-999 ?-999 ?-999 ? O ACT F 201 mASP~F 54 77.96 64.50 39.54 78.48 63.86 38.98 77.84 66.99 39.15 78.36 68.11 39.15 78.46 65.83 39.93 79.98 65.85 39.85 2 0 32.14-999 ?-999 ?-999 ? OXT ACT F 201 mLYS.F 55 76.71 66.68 38.50 76.46 65.73 38.62 76.68 68.29 36.56 76.19 69.24 35.95 75.92 67.62 37.70 75.21 68.66 38.59 2 0 33.76-999 ?-999 ?-999 ? O ACT F 201 mARG.F 56 77.88 67.78 36.24 78.16 67.00 36.79 77.96 68.27 33.81 77.18 67.35 33.58 78.69 68.36 35.15 80.06 67.68 35.05 2 0 35.11-999 ?-999 ?-999 ? O ACT F 201 mTHR~F 57 78.22 69.24 32.94 78.91 69.89 33.24 78.08 68.30 30.64 79.25 67.92 30.73 77.53 69.31 31.65 77.60 70.73 31.05 2 0 35.77-999 ?-999 ?-999 ? CH3 ACT B 202 mTYR~F 58 77.23 67.90 29.69 76.31 68.28 29.81 78.83 67.48 27.83 79.70 66.67 27.44 77.60 66.98 28.59 76.41 66.83 27.61 3 0 33.11-999 ?-999 ?-999 ? CH3 ACT B 202 mLEU~F 59 78.91 68.80 27.63 78.14 69.32 28.01 81.36 69.28 27.67 82.33 68.75 27.11 80.03 69.44 26.91 79.72 70.93 26.58 3 0 36.13-999 ?-999 ?-999 ? CH3 ACT B 202 mASP~F 60 81.40 69.73 28.92 80.61 70.28 29.18 82.88 67.93 29.74 84.05 67.57 29.58 82.52 69.42 29.83 82.17 69.76 31.28 2 0 37.60-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~F 61 81.86 67.07 29.83 80.96 67.51 29.85 82.65 65.04 28.59 83.61 64.27 28.63 82.05 65.61 29.89 80.72 64.87 30.29 3 0 34.12-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~F 62 82.07 65.42 27.46 81.24 65.96 27.59 84.05 65.61 26.01 84.91 64.95 25.44 82.62 65.08 26.15 81.73 65.67 25.05 2 0 33.49-999 ?-999 ?-999 ? CH3 ACT B 202 mGLU~F 63 84.30 66.80 26.57 83.51 67.21 27.03 86.67 66.66 27.32 87.74 66.35 26.80 85.62 67.42 26.51 85.56 68.89 26.95 2 0 37.11-999 ?-999 ?-999 ? CH3 ACT B 202 mLYS~F 64 86.34 66.32 28.57 85.39 66.52 28.80 87.54 64.23 29.31 88.63 63.72 29.59 87.30 65.73 29.52 86.86 66.02 30.96 2 0 36.34-999 ?-999 ?-999 ? O ACT F 201 mTHR~F 65 86.52 63.52 28.84 85.70 64.05 28.65 86.69 61.75 27.16 87.08 60.65 26.79 86.63 62.09 28.63 85.42 61.35 29.23 2 0 33.23-999 ?-999 ?-999 ? O ACT F 201 mGLY~F 66 86.26 62.68 26.32 86.12 63.59 26.73 84.97 61.29 24.69 85.02 60.60 23.68 86.02 62.38 24.92-999.99-999.99-999.99 1 0 33.23-999 ?-999 ?-999 ? CH3 ACT B 202 mALA.F 67 84.03 61.11 25.63 84.18 61.62 26.48 81.89 60.82 24.34 81.56 62.02 24.36 82.88 60.24 25.38 82.17 59.93 26.67 2 0 29.63-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~F 68 81.45 59.96 23.42 81.92 59.07 23.45 79.07 60.51 23.22 78.87 59.95 24.31 80.37 60.29 22.47 80.14 59.14 21.49 2 0 28.19-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~F 69 78.17 61.29 22.64 78.49 61.70 21.78 76.11 60.21 23.54 75.45 60.09 24.57 76.84 61.52 23.21 76.03 62.36 22.23 2 0 27.47-999 ?-999 ?-999 ? CH3 ACT B 202 mALA~F 70 76.25 59.23 22.66 76.80 59.46 21.86 76.14 57.29 24.14 75.37 56.69 24.89 75.63 57.94 22.86 75.90 57.05 21.68 2 0 23.74-999 ?-999 ?-999 ? CH3 ACT B 202 mTHR~F 71 77.45 57.43 24.39 77.95 57.95 23.70 77.57 57.51 26.85 77.19 56.84 27.80 78.08 56.84 25.58 79.61 56.91 25.49 2 0 24.09-999 ?-999 ?-999 ? CH3 ACT B 202 mILE~F 72 77.55 58.83 26.83 77.88 59.25 25.98 75.60 59.28 28.22 75.18 59.08 29.36 77.08 59.60 27.95 77.31 61.09 27.71 3 0 26.21-999 ?-999 ?-999 ? CH3 ACT B 202 mSER~F 73 74.83 59.18 27.14 75.29 59.34 26.27 73.21 57.49 27.93 72.30 57.36 28.75 73.43 58.84 27.26 72.77 58.88 25.88 2 0 23.90-999 ?-999 ?-999 ? CH3 ACT B 202 mARG~F 74 74.06 56.51 27.60 74.80 56.78 26.98 74.17 55.10 29.61 73.43 54.47 30.37 73.89 55.14 28.10 74.82 54.15 27.37 2 0 20.91-999 ?-999 ?-999 ? CH3 ACT B 202 mVAL~F 75 75.22 55.79 30.03 75.74 56.24 29.30 74.49 56.61 32.23 74.10 56.15 33.31 75.59 55.89 31.43 76.92 56.67 31.60 3 0 23.22-999 ?-999 ?-999 ? CH3 ACT B 202 mASN~F 76 74.01 57.74 31.70 74.47 58.05 30.87 71.64 57.55 32.50 70.95 57.63 33.50 72.91 58.43 32.32 72.55 59.68 31.53 2 0 24.59-999 ?-999 ?-999 ? OXT ACT B 202 mARG~F 77 71.35 56.74 31.49 71.97 56.83 30.71 70.46 54.81 32.71 69.52 54.46 33.42 70.22 55.79 31.56 70.07 55.08 30.20 2 0 21.02-999 ?-999 ?-999 ? OXT ACT B 202 mSER~F 78 71.72 54.38 32.91 72.37 54.71 32.23 71.89 54.24 35.37 71.25 53.72 36.25 72.09 53.52 34.04 73.57 53.13 33.97 2 0 20.38-999 ?-999 ?-999 ? O ACT F 201 mLEU~F 79 72.44 55.43 35.51 73.03 55.71 34.75 70.68 56.38 36.96 70.26 56.28 38.09 72.17 56.24 36.68 72.79 57.64 36.54 3 0 22.44-999 ?-999 ?-999 ? O ACT F 201 mASN~F 80 69.86 56.62 35.94 70.31 56.60 35.05 67.56 55.67 36.49 66.61 55.79 37.26 68.44 56.88 36.16 67.84 57.58 34.96 2 0 23.28-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~F 81 67.83 54.55 35.83 68.71 54.55 35.34 67.57 52.11 36.30 66.89 51.11 36.48 66.90 53.42 35.86 66.17 53.26 34.49 3 0 19.91-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~F 82 68.88 52.14 36.53 69.29 53.05 36.44 69.61 50.55 38.34 68.63 50.79 39.02 69.65 50.97 36.88-999.99-999.99-999.99 1 0 17.51-999 ?-999 ?-999 ? O ACT F 201 mASN.F 83 70.69 49.94 38.82 71.48 50.01 38.21 71.25 50.11 41.23 71.46 49.63 42.35 70.72 49.25 40.12 71.64 48.04 39.99 2 0 15.33-999 ?-999 ?-999 ? O ACT F 201 mASP~F 84 71.53 51.37 40.91 71.19 51.65 40.02 73.69 51.79 42.19 74.23 52.20 43.23 72.26 52.26 41.81 71.41 52.56 43.04 2 0 18.27-999 ?-999 ?-999 ? O ACT F 201 mGLY~F 85 74.27 50.93 41.35 73.69 50.66 40.58 76.70 51.55 41.58 77.59 51.53 42.42 75.65 50.44 41.54-999.99-999.99-999.99 1 0 16.48-999 ?-999 ?-999 ? OXT ACT F 201 mTYR~F 86 76.59 52.53 40.68 75.85 52.40 40.02 77.43 54.43 42.04 78.44 54.69 42.68 77.50 53.70 40.70 77.17 54.70 39.58 3 0 19.98-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 87 76.21 54.76 42.45 75.49 54.46 41.84 76.52 54.67 44.86 77.21 55.20 45.72 75.97 55.50 43.69 74.46 55.73 43.81 2 0 21.62-999 ?-999 ?-999 ? OXT ACT F 201 mMETF 88 76.22 53.38 44.87 75.60 53.09 44.14 78.30 52.63 46.07 78.78 52.85 47.17 76.77 52.48 45.88 76.42 51.02 45.53 2 0 19.06-999 ?-999 ?-999 ? OXT ACT F 201 mVAL~F 89 79.08 52.50 45.00 78.60 52.31 44.14 80.99 54.08 45.40 81.97 54.32 46.11 80.54 52.64 45.16 81.33 51.98 44.03 3 0 19.95-999 ?-999 ?-999 ? OXT ACT F 201 mPHE~F 90 80.26 55.05 44.85 79.49 54.75 44.27 80.55 56.74 46.63 81.45 57.41 47.17 80.62 56.44 45.13 79.79 57.45 44.33 3 0 23.55-999 ?-999 ?-999 ? OXT ACT F 201 mSER~F 91 79.50 56.23 47.29 78.87 55.74 46.69 80.49 55.81 49.47 81.10 56.47 50.30 79.30 56.38 48.74 78.09 55.58 49.22 2 0 23.94-999 ?-999 ?-999 ? OXT ACT F 201 mARG~F 92 80.79 54.57 49.15 80.23 54.17 48.43 83.23 54.52 49.68 83.94 54.66 50.68 81.86 53.86 49.80 81.90 52.42 49.33 2 0 22.71-999 ?-999 ?-999 ? OXT ACT F 201 mMETF 93 83.61 54.92 48.47 82.95 54.73 47.74 84.96 56.86 49.07 86.00 57.21 49.63 84.89 55.56 48.27 85.13 55.82 46.78 2 0 24.90-999 ?-999 ?-999 ? OXT ACT F 201 mLYS~F 94 83.81 57.53 49.16 83.04 57.07 48.72 83.88 58.72 51.37 84.19 59.74 52.01 83.69 58.81 49.85 82.35 59.47 49.53 2 0 27.72-999 ?-999 ?-999 ? OXT ACT F 201 mGLU~F 95 83.69 57.54 51.94 83.46 56.80 51.31 85.27 57.56 53.88 85.48 58.06 54.99 83.83 57.37 53.39 83.26 56.03 53.84 2 0 27.77-999 ?-999 ?-999 ? OXT ACT F 201 mLYS~F 96 86.24 57.16 53.06 85.94 56.56 52.33 88.39 57.58 51.92 88.55 58.63 51.28 87.64 57.60 53.24 88.38 56.76 54.30 2 0 29.44-999 ?-999 ?-999 ? OXT ACT F 201 mARG~G 6 62.52 47.91 35.64 62.77 46.95 35.77 62.02 49.70 33.96 60.91 49.91 33.47 62.16 49.34 35.45 63.22 50.22 36.11 2 0 16.00-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 7 63.15 49.75 33.23 63.94 49.38 33.71 62.23 49.54 30.91 61.55 50.15 30.10 63.21 50.30 31.87 64.71 50.30 31.42 2 0 14.73-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 8 62.09 48.23 31.06 62.68 47.83 31.77 59.71 47.95 30.47 58.85 47.92 29.55 61.15 47.47 30.24 61.24 45.96 30.53 2 0 11.57-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 9 59.43 48.37 31.70 60.19 48.36 32.34 57.82 50.23 31.49 56.76 50.49 30.95 58.06 48.81 32.02 57.70 48.62 33.53 2 0 14.28-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~G 10 58.81 51.11 31.61 59.60 50.79 32.14 58.54 52.29 29.43 57.73 52.96 28.82 58.71 52.45 30.99 59.93 53.33 31.36 3 0 16.78-999 ?-999 ?-999 ? OXT ACT B 202 mASP~G 11 59.30 51.38 28.83 59.95 50.92 29.44 57.75 50.75 27.05 57.26 51.12 25.99 59.19 51.08 27.41 60.05 49.86 27.05 2 0 14.40-999 ?-999 ?-999 ? OXT ACT B 202 mHIS~G 12 57.07 50.00 27.91 57.57 49.77 28.74 54.78 50.79 27.52 54.00 50.93 26.57 55.70 49.57 27.61 55.20 48.65 28.71 3 0 14.36-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 13 54.88 51.67 28.50 55.47 51.34 29.25 54.57 53.73 27.16 53.73 54.27 26.47 54.18 52.97 28.48 54.57 53.80 29.72 3 0 18.17-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~G 14 55.84 53.77 26.82 56.47 53.27 27.42 55.60 53.91 24.32 55.23 54.62 23.40 56.18 54.54 25.60 57.69 54.76 25.43 3 0 18.41-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 15 55.51 52.58 24.28 55.87 52.10 25.07 53.49 52.35 23.03 53.01 52.53 21.94 54.91 51.90 23.15 54.84 50.37 23.38 2 0 16.61-999 ?-999 ?-999 ? OXT ACT B 202 mALA~G 16 52.80 52.49 24.15 53.31 52.27 24.98 51.28 54.36 23.60 50.36 54.67 22.78 51.42 52.93 24.13 50.82 52.85 25.54 2 0 19.26-999 ?-999 ?-999 ? OXT ACT B 202 mILE~G 17 52.16 55.24 24.09 52.81 54.85 24.74 52.47 56.76 22.18 51.85 57.51 21.46 52.15 56.66 23.67 53.13 57.49 24.52 3 0 22.05-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 18 53.39 55.94 21.71 53.82 55.36 22.41 52.60 55.42 19.37 52.61 55.74 18.17 53.74 55.89 20.31 55.02 55.06 20.11 3 0 21.11-999 ?-999 ?-999 ? OXT ACT B 202 mCYH.G 19 51.64 54.65 19.89 51.77 54.46 20.86 49.43 55.18 18.87 48.56 54.98 18.03 50.50 54.13 19.12 49.83 52.98 19.86 2 0 21.54-999 ?-999 ?-999 ? OXT ACT B 202 mLEU.G 20 49.46 56.26 19.65 50.20 56.27 20.32 48.61 58.01 18.15 49.74 58.26 17.73 48.45 57.33 19.50 48.61 58.38 20.64 3 0 25.13-999 ?-999 ?-999 ? OXT ACT B 202 mLYS.G 21 47.50 58.36 17.47 46.65 58.23 17.98 47.15 60.31 15.90 47.49 60.90 14.87 47.57 58.88 16.09 46.70 58.05 15.16 2 0 27.76-999 ?-999 ?-999 ? OXT ACT B 202 mASN~G 22 46.37 60.85 16.82 46.20 60.25 17.61 45.50 62.72 18.09 45.56 61.99 19.08 45.83 62.19 16.69 44.61 62.23 15.77 2 0 31.14-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~G 23 45.20 64.02 18.15 45.11 64.45 17.26 43.86 64.13 20.21 43.91 64.02 21.43 45.03 64.72 19.42 44.74 66.20 19.14 2 0 33.04-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 24 42.80 63.75 19.50 42.87 63.95 18.53 42.03 61.85 20.93 41.63 61.69 22.10 41.65 63.10 20.14 40.58 62.75 19.10 2 0 33.61-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 25 42.85 61.00 20.33 43.11 61.24 19.40 44.21 60.20 22.25 44.20 59.49 23.29 43.32 59.82 21.04 44.04 58.90 20.06 2 0 29.94-999 ?-999 ?-999 ? OXT ACT B 202 mCYH~G 26 44.98 61.30 22.14 44.95 61.76 21.25 44.94 62.18 24.45 45.24 61.81 25.59 45.81 61.75 23.27 46.76 62.92 22.90 2 0 29.73-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~G 27 43.89 62.97 24.20 43.81 63.29 23.25 42.43 61.99 25.88 42.46 61.81 27.09 42.95 63.31 25.26 41.77 64.17 24.76 3 0 32.63-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 28 41.96 61.08 25.05 41.97 61.38 24.10 42.48 59.06 26.50 42.10 58.62 27.59 41.48 59.77 25.54 41.18 58.89 24.34 2 0 30.88-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~G 29 43.73 58.96 26.08 43.93 59.42 25.21 45.24 59.06 28.04 45.20 58.59 29.19 44.71 58.23 26.84 45.86 57.78 25.95 3 0 27.64-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~G 30 45.70 60.29 27.78 45.58 60.60 26.84 45.37 61.48 29.97 45.77 61.58 31.12 46.33 61.06 28.87 47.16 62.23 28.33 3 0 29.10-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 31 44.11 61.71 29.63 43.90 61.70 28.65 42.94 60.76 31.60 42.56 60.94 32.76 43.15 61.96 30.68 41.79 62.36 30.10 2 0 31.97-999 ?-999 ?-999 ? OXT ACT B 202 mASP~G 32 43.07 59.55 31.06 43.24 59.53 30.08 44.24 58.18 32.78 44.11 57.99 33.98 42.98 58.36 31.89 42.77 57.11 31.03 2 0 29.67-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~G 33 45.43 58.23 32.19 45.39 58.48 31.22 47.14 59.07 33.87 47.80 58.78 34.86 46.66 57.93 32.94 47.84 57.40 32.03 3 0 27.32-999 ?-999 ?-999 ? OXT ACT B 202 mCYH~G 34 46.79 60.33 33.59 46.24 60.44 32.76 46.02 61.89 35.26 44.92 61.66 34.83 47.20 61.46 34.47 47.64 62.66 33.65 2 0 30.23-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 35 46.22 62.57 36.38 47.15 62.48 36.76 44.90 64.64 36.16 45.70 64.98 35.28 45.14 63.37 36.97 45.45 63.81 38.43 2 0 33.65-999 ?-999 ?-999 ? OXT ACT B 202 mILE~G 36 43.83 65.38 36.47 43.24 64.98 37.17 44.77 67.64 36.02 45.30 68.22 35.07 43.59 66.67 35.80 42.25 67.33 36.26 3 0 36.67-999 ?-999 ?-999 ? OXT ACT B 202 mASN~G 37 45.16 67.81 37.28 44.63 67.28 37.95 47.54 68.21 37.02 48.25 69.04 36.54 46.26 68.67 37.64 46.38 68.80 39.16 2 0 37.62-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 38 47.81 66.89 36.95 47.13 66.28 37.36 49.12 66.77 34.80 50.19 67.18 34.30 49.04 66.42 36.29 49.22 64.90 36.44 2 0 34.10-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 39 47.99 66.65 34.10 47.18 66.39 34.63 48.13 68.40 32.43 48.88 68.85 31.55 47.98 66.90 32.66 46.70 66.36 32.00 3 0 33.93-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 40 47.46 69.17 33.25 46.88 68.70 33.91 49.05 71.04 33.45 49.61 71.89 32.79 47.61 70.62 33.12 46.65 71.35 34.02 3 0 37.46-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 41 49.64 70.41 34.46 49.06 69.78 34.96 52.00 70.32 33.59 52.91 71.09 33.26 51.04 70.68 34.76 51.43 70.01 36.09 2 0 36.68-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 42 51.81 69.17 32.94 51.12 68.56 33.33 52.45 69.96 30.62 53.42 70.36 30.01 52.60 68.88 31.71 52.17 67.56 31.03 3 0 33.81-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 43 51.21 70.32 30.31 50.51 69.85 30.85 51.49 72.68 29.71 51.95 73.44 28.88 50.90 71.30 29.29 49.38 71.46 29.17 2 0 36.23-999 ?-999 ?-999 ? OXT ACT B 202 mGLN~G 44 51.42 72.99 31.00 50.97 72.32 31.58 53.54 74.32 31.22 54.06 75.31 30.74 52.00 74.27 31.46 51.70 74.45 32.94 2 0 39.01-999 ?-999 ?-999 ? OXT ACT B 202 mARG~G 45 54.26 73.25 31.53 53.75 72.46 31.89 56.06 73.42 29.86 56.99 74.15 29.49 55.70 73.26 31.34 56.34 71.99 31.89 2 0 37.17-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~G 46 55.30 72.74 29.01 54.58 72.20 29.44 55.33 74.25 27.08 56.12 74.78 26.33 55.57 72.82 27.56 54.66 71.82 26.81 3 0 36.29-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 47 54.24 74.86 27.51 53.66 74.31 28.10 55.01 77.22 27.65 55.50 78.08 26.92 53.94 76.23 27.12 52.52 76.60 27.58 2 0 39.94-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~G 48 55.41 77.04 28.91 54.87 76.37 29.42 57.82 77.62 28.60 58.51 78.60 28.31 56.56 77.78 29.46 56.86 77.31 30.88 3 0 41.16-999 ?-999 ?-999 ? OXT ACT B 202 mALA~G 49 58.14 76.40 28.23 57.52 75.70 28.55 59.24 76.94 26.08 60.20 77.57 25.66 59.33 76.18 27.39 59.58 74.68 27.16 2 0 39.07-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~G 50 58.06 76.95 25.47 57.33 76.47 25.94 58.15 79.16 24.44 58.85 79.81 23.68 57.92 77.65 24.19 56.51 77.37 23.58 2 0 40.60-999 ?-999 ?-999 ? OXT ACT B 202 mMETG 51 57.52 79.70 25.48 56.98 79.07 26.03 59.08 81.53 26.22 59.54 82.59 25.89 57.65 81.14 25.77 56.61 81.58 26.82 2 0 44.10-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 52 59.78 80.65 26.92 59.26 79.83 27.17 62.01 80.99 25.98 62.82 81.91 25.81 61.18 80.91 27.26 61.69 79.81 28.20 3 0 43.66-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 53 61.76 80.09 25.02 61.06 79.41 25.25 62.15 81.41 22.99 62.97 81.93 22.25 62.47 80.11 23.74 62.10 78.88 22.88 2 0 42.80-999 ?-999 ?-999 ? OXT ACT B 202 mASP~G 54 60.94 81.91 23.16 60.35 81.33 23.71 61.11 84.46 23.33 60.77 85.62 23.00 60.55 83.23 22.57 59.02 83.37 22.59 2 0 46.00-999 ?-999 ?-999 ? OXT ACT B 202 mLYS.G 55 61.87 84.20 24.40 61.96 83.22 24.59 61.46 86.12 25.92 61.62 87.32 26.04 62.51 85.24 25.23 63.49 86.08 24.40 2 0 47.90-999 ?-999 ?-999 ? OXT ACT B 202 mARG.G 56 60.37 85.51 26.36 60.31 84.54 26.15 59.76 86.38 28.61 60.51 85.56 29.10 59.35 86.27 27.10 57.98 85.58 26.94 2 0 49.10-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 57 59.27 87.39 29.31 58.65 87.95 28.76 58.88 86.67 31.67 57.88 86.06 31.28 59.60 87.64 30.76 59.21 89.09 31.22 2 0 50.74-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~G 58 59.34 86.55 32.92 60.12 87.12 33.15 57.23 86.00 34.10 56.37 85.13 34.21 58.67 85.61 33.84 59.46 85.53 35.17 3 0 49.26-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 59 56.95 87.30 34.19 57.71 87.93 34.04 54.65 87.40 33.30 53.54 86.87 33.47 55.59 87.72 34.51 55.49 89.22 34.85 3 0 51.78-999 ?-999 ?-999 ? OXT ACT B 202 mASP~G 60 55.12 87.69 32.10 56.04 88.09 32.09 54.01 85.87 30.88 52.87 85.45 30.72 54.30 87.41 30.91 55.12 87.86 29.69 2 0 51.13-999 ?-999 ?-999 ? OXT ACT B 202 mILE~G 61 55.04 85.06 31.07 55.91 85.54 31.21 53.98 83.16 32.22 53.06 82.35 32.02 54.90 83.59 31.08 56.28 82.93 31.30 3 0 47.31-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 62 54.21 83.70 33.42 54.97 84.35 33.46 51.89 83.66 34.31 51.01 82.85 34.58 53.36 83.33 34.56 53.88 83.93 35.87 2 0 47.92-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 63 51.61 84.86 33.79 52.41 85.44 33.61 49.58 84.39 32.43 48.41 84.03 32.54 50.22 85.26 33.54 50.07 86.78 33.24 2 0 50.27-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~G 64 50.35 84.06 31.39 51.30 84.36 31.44 49.56 81.81 30.71 48.53 81.21 30.40 49.75 83.28 30.29 50.66 83.31 29.01 2 0 48.04-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 65 50.52 81.25 31.46 51.17 81.90 31.85 50.07 79.35 33.03 49.81 78.17 33.27 50.53 79.76 31.63 51.94 79.18 31.47 2 0 44.65-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~G 66 50.00 80.32 33.95 50.13 81.23 33.57 51.04 79.63 36.15 51.03 79.53 37.37 49.75 80.01 35.39-999.99-999.99-999.99 1 0 45.81-999 ?-999 ?-999 ? OXT ACT B 202 mALA.G 67 52.16 79.45 35.45 52.09 79.68 34.48 53.99 79.83 37.21 54.06 81.07 37.06 53.39 78.95 36.10 54.50 78.62 35.03 2 0 44.09-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 68 54.46 79.17 38.27 54.26 78.19 38.25 56.63 80.02 38.88 57.07 79.45 37.85 55.19 79.82 39.36 55.25 78.91 40.60 2 0 45.51-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 69 57.35 80.86 39.59 56.83 81.31 40.32 59.58 79.76 39.45 60.49 79.50 38.64 58.77 81.08 39.32 59.31 82.22 40.23 2 0 46.24-999 ?-999 ?-999 ? OXT ACT B 202 mALA~G 70 59.26 78.95 40.45 58.54 79.31 41.05 59.77 76.79 39.36 60.72 76.21 38.87 59.92 77.64 40.62 59.35 76.87 41.87 2 0 43.36-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~G 71 58.55 76.73 38.83 57.84 77.22 39.33 59.06 76.59 36.42 59.70 75.85 35.66 58.30 76.00 37.61 56.78 75.95 37.35 2 0 40.94-999 ?-999 ?-999 ? OXT ACT B 202 mILE~G 72 58.96 77.91 36.23 58.42 78.42 36.89 61.13 78.33 35.14 61.77 78.06 34.10 59.62 78.53 35.11 59.37 80.06 35.06 3 0 42.55-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 73 61.69 78.46 36.33 61.06 78.70 37.07 63.52 76.81 36.19 64.55 76.62 35.56 63.11 78.26 36.53 63.44 78.58 37.97 2 0 42.55-999 ?-999 ?-999 ? OXT ACT B 202 mARG~G 74 62.71 75.81 36.61 61.90 76.13 37.11 62.98 74.11 34.83 63.85 73.42 34.32 63.00 74.39 36.34 62.04 73.45 37.11 2 0 38.79-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~G 75 62.00 74.68 34.13 61.36 75.22 34.68 63.09 75.17 31.96 63.71 74.57 31.08 61.89 74.52 32.67 60.57 75.08 32.10 3 0 38.00-999 ?-999 ?-999 ? OXT ACT B 202 mASN~G 76 63.40 76.40 32.36 62.74 76.79 32.99 65.88 76.25 32.05 66.69 76.17 31.13 64.60 77.10 31.92 64.72 78.38 32.76 2 0 40.43-999 ?-999 ?-999 ? OXT ACT B 202 mARG~G 77 66.06 75.63 33.20 65.38 75.86 33.89 67.14 73.51 32.44 68.18 73.13 31.91 67.18 74.71 33.42 67.20 74.23 34.88 2 0 38.59-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 78 65.97 72.92 32.20 65.21 73.26 32.75 66.25 72.32 29.79 66.94 71.60 29.08 65.87 71.86 31.18 64.49 71.24 31.11 2 0 35.24-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~G 79 65.80 73.50 29.39 65.25 73.99 30.07 67.57 74.23 27.84 68.10 74.04 26.75 66.10 74.02 28.06 65.43 75.38 27.85 3 0 36.98-999 ?-999 ?-999 ? OXT ACT B 202 mASN~G 80 68.26 74.68 28.88 67.75 74.79 29.73 70.59 73.84 29.07 71.71 73.82 28.58 69.63 74.99 28.74 69.94 76.27 29.52 2 0 38.48-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~G 81 70.16 72.89 29.87 69.18 72.93 30.09 70.48 70.47 30.29 71.05 69.53 30.85 71.06 71.88 30.38 71.47 72.21 31.83 3 0 35.97-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~G 82 69.38 70.30 29.57 69.06 71.14 29.12 69.14 68.16 28.24 70.25 68.31 27.72 68.74 68.97 29.47-999.99-999.99-999.99 1 0 32.53-999 ?-999 ?-999 ? OXT ACT B 202 mASN.G 83 68.22 67.34 27.74 67.37 67.34 28.26 68.24 67.19 25.18 68.22 66.50 24.17 68.44 66.51 26.55 67.45 65.36 26.59 2 0 29.79-999 ?-999 ?-999 ? OXT ACT B 202 mASP~G 84 67.99 68.49 25.13 68.18 68.99 25.97 66.13 68.52 23.38 65.80 68.67 22.20 67.47 69.10 23.89 68.52 69.02 22.80 2 0 32.14-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~G 85 65.38 67.86 24.24 65.77 67.81 25.16 63.04 68.29 23.45 62.30 68.07 22.49 64.10 67.27 23.86-999.99-999.99-999.99 1 0 29.99-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~G 86 62.94 69.40 24.20 63.51 69.42 25.02 62.38 70.96 22.39 61.50 71.07 21.54 62.03 70.48 23.79 62.11 71.70 24.73 3 0 33.17-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 87 63.65 71.25 22.15 64.29 71.06 22.90 63.77 70.80 19.74 63.43 71.16 18.62 64.01 71.81 20.86 65.48 72.24 20.83 2 0 34.73-999 ?-999 ?-999 ? OXT ACT B 202 mMETG 88 63.97 69.51 20.07 64.29 69.36 21.00 62.31 68.53 18.57 62.12 68.51 17.35 63.74 68.42 19.11 63.93 67.04 19.78 2 0 31.64-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~G 89 61.31 68.62 19.45 61.58 68.64 20.41 59.56 70.03 18.38 58.83 70.07 17.38 59.92 68.67 18.98 58.87 68.26 20.05 3 0 32.01-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~G 90 60.13 71.11 18.92 60.73 70.94 19.71 60.34 72.51 16.90 59.65 73.08 16.03 59.86 72.45 18.37 60.53 73.61 19.18 3 0 35.83-999 ?-999 ?-999 ? OXT ACT B 202 mSER~G 91 61.52 71.96 16.63 62.00 71.61 17.44 61.15 71.11 14.30 60.89 71.58 13.21 62.07 71.87 15.26 63.43 71.16 15.27 2 0 35.86-999 ?-999 ?-999 ? OXT ACT B 202 mARG~G 92 60.65 69.96 14.74 60.93 69.73 15.67 58.45 69.80 13.59 57.97 69.73 12.45 59.76 69.14 13.90 59.47 67.85 14.59 2 0 33.78-999 ?-999 ?-999 ? OXT ACT B 202 mMETG 93 57.86 70.43 14.61 58.34 70.36 15.48 56.80 72.32 13.45 55.95 72.55 12.60 56.63 71.16 14.41 56.03 71.59 15.75 2 0 35.93-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~G 94 57.91 73.05 13.60 58.46 72.79 14.40 58.27 73.61 11.22 57.72 74.27 10.35 58.30 74.11 12.68 59.69 74.62 13.07 2 0 39.00-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 95 58.83 72.43 10.97 59.29 72.03 11.77 57.36 71.59 9.12 57.11 71.92 7.95 58.78 71.78 9.67 59.47 70.43 9.71 2 0 37.87-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~G 96 56.44 71.06 9.94 56.80 70.82 10.84 54.42 72.09 8.87 53.52 71.97 8.04 55.05 70.85 9.51 54.17 70.33 10.65 2 0 37.66-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~G 97 54.90 73.26 9.26 55.48 73.22 10.08 55.45 74.60 7.26 54.94 74.76 6.14 54.60 74.50 8.54 54.86 75.70 9.44 2 0 41.40-999 ?-999 ?-999 ? OXT ACT B 202 mARG.H 6 39.75 70.74 27.71 39.35 70.70 28.63 40.75 72.20 25.91 39.89 73.05 25.76 40.36 70.79 26.33 39.40 70.18 25.32 2 0 40.25-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 7 42.03 72.44 25.69 42.66 71.68 25.87 43.44 73.59 24.10 44.01 72.51 23.88 42.44 73.74 25.23 43.10 74.57 26.39 2 0 41.66-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 8 43.67 74.70 23.41 43.06 75.46 23.65 46.11 74.59 22.98 47.03 74.22 22.22 44.72 74.79 22.42 44.63 76.13 21.64 2 0 41.62-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 9 46.32 74.88 24.28 45.52 75.22 24.78 47.92 73.19 25.10 49.01 72.69 24.85 47.69 74.67 24.84 47.98 75.54 26.09 2 0 40.24-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~H 10 46.89 72.49 25.57 46.08 73.02 25.80 47.21 70.38 24.31 48.03 69.48 24.14 47.02 71.01 25.72 45.80 70.41 26.44 3 0 37.16-999 ?-999 ?-999 ? OXT ACT B 202 mASP~H 11 46.46 70.87 23.32 45.79 71.56 23.62 48.08 70.53 21.49 48.58 69.62 20.84 46.62 70.42 21.93 45.80 71.26 20.95 2 0 36.90-999 ?-999 ?-999 ? OXT ACT B 202 mHIS~H 12 48.71 71.65 21.81 48.15 72.31 22.30 51.05 70.84 22.04 51.91 70.27 21.33 50.11 71.90 21.45 50.52 73.30 21.90 3 0 36.95-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 13 50.86 70.54 23.32 50.16 71.08 23.78 51.40 68.15 23.21 52.34 67.37 22.94 51.65 69.48 23.96 51.22 69.35 25.44 3 0 34.00-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~H 14 50.14 67.90 22.85 49.47 68.61 23.08 50.47 66.61 20.75 50.98 65.58 20.33 49.84 66.64 22.15 48.33 66.36 22.11 3 0 32.11-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 15 50.48 67.74 20.05 50.03 68.52 20.49 52.61 67.40 18.91 53.15 66.59 18.13 51.14 67.78 18.73 51.01 69.14 18.07 2 0 33.14-999 ?-999 ?-999 ? OXT ACT B 202 mALA~H 16 53.25 67.92 19.96 52.72 68.57 20.50 54.78 66.01 20.46 55.66 65.40 19.86 54.65 67.52 20.25 55.25 68.29 21.43 2 0 31.58-999 ?-999 ?-999 ? OXT ACT B 202 mILE~H 17 53.89 65.43 21.29 53.18 66.02 21.65 53.75 63.19 20.36 54.41 62.15 20.17 53.98 64.03 21.62 53.04 63.64 22.78 3 0 28.27-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 18 52.83 63.65 19.51 52.33 64.46 19.82 53.79 63.02 17.26 53.87 62.21 16.40 52.58 63.00 18.23 51.31 63.56 17.55 3 0 28.38-999 ?-999 ?-999 ? OXT ACT B 202 mCYH.H 19 54.75 63.92 17.43 54.59 64.53 18.21 57.01 62.97 16.92 57.97 62.78 16.17 55.93 63.98 16.56 56.55 65.36 16.63 2 0 28.73-999 ?-999 ?-999 ? OXT ACT B 202 mLEU.H 20 56.88 62.38 18.10 56.05 62.64 18.60 57.74 60.15 17.83 56.61 59.68 17.58 57.87 61.43 18.62 57.62 61.15 20.12 3 0 25.37-999 ?-999 ?-999 ? OXT ACT B 202 mLYS.H 21 58.88 59.54 17.47 59.72 59.90 17.88 59.33 57.10 17.08 59.06 56.07 16.46 58.86 58.43 16.55 59.70 58.77 15.32 2 0 23.01-999 ?-999 ?-999 ? OXT ACT B 202 mASN~H 22 60.08 57.10 18.18 60.28 58.00 18.57 60.71 56.03 20.22 60.58 57.15 20.70 60.55 55.82 18.74 61.87 55.35 18.07 2 0 19.61-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~H 23 60.98 54.93 20.91 61.02 54.12 20.33 62.35 55.82 22.81 62.28 56.44 23.83 61.19 54.89 22.37 61.48 53.42 22.77 2 0 17.80-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 24 63.41 55.90 22.00 63.34 55.35 21.17 64.16 58.23 22.41 64.55 58.98 23.31 64.57 56.76 22.37 65.83 56.50 21.50 2 0 19.68-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 25 63.33 58.63 21.44 63.10 57.93 20.76 61.90 60.27 22.59 61.87 61.41 23.06 62.83 59.99 21.41 62.16 60.28 20.09 2 0 22.92-999 ?-999 ?-999 ? OXT ACT B 202 mCYH~H 26 61.15 59.26 23.05 61.23 58.43 22.50 61.13 59.63 25.52 60.77 60.47 26.32 60.30 59.40 24.24 59.38 58.16 24.48 2 0 22.20-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~H 27 62.18 58.83 25.73 62.26 58.07 25.09 63.64 60.57 26.73 63.61 61.30 27.71 63.14 59.13 26.83 64.32 58.13 26.87 3 0 21.88-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 28 64.10 60.99 25.57 64.05 60.30 24.85 63.59 63.40 25.78 63.90 64.39 26.51 64.62 62.34 25.40 65.11 62.53 23.94 2 0 25.08-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~H 29 62.35 63.24 25.29 62.19 62.39 24.79 60.82 64.24 26.93 60.77 65.24 27.64 61.35 64.29 25.50 60.20 64.18 24.48 3 0 26.99-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~H 30 60.41 63.06 27.36 60.61 62.29 26.77 60.63 63.20 29.83 60.15 63.65 30.90 59.72 62.97 28.62 58.97 61.64 28.73 3 0 26.08-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 31 61.92 62.88 29.67 62.14 62.41 28.81 63.17 64.73 30.72 63.62 65.24 31.71 62.90 63.23 30.69 64.22 62.47 30.51 2 0 26.53-999 ?-999 ?-999 ? OXT ACT B 202 mASP~H 32 62.93 65.43 29.63 62.72 64.90 28.80 61.79 67.49 30.47 61.94 68.38 31.35 63.01 66.89 29.72 63.15 67.54 28.35 2 0 29.95-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~H 33 60.60 67.01 30.14 60.63 66.22 29.52 59.05 67.07 32.07 58.52 67.83 32.91 59.36 67.58 30.65 58.19 67.25 29.70 3 0 30.97-999 ?-999 ?-999 ? OXT ACT B 202 mCYH~H 34 59.40 65.81 32.37 59.90 65.34 31.65 60.26 64.98 34.51 61.35 64.84 33.99 59.04 65.21 33.67 58.38 63.83 33.48 2 0 29.45-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 35 60.06 64.84 35.82 59.15 65.10 36.16 61.11 62.81 36.47 60.09 62.21 36.02 61.09 64.35 36.66 60.81 64.66 38.17 2 0 29.52-999 ?-999 ?-999 ? OXT ACT B 202 mILE~H 36 62.23 62.17 36.82 62.98 62.78 37.10 61.21 60.10 37.65 60.56 59.11 37.26 62.33 60.70 36.78 63.75 60.16 37.24 3 0 26.22-999 ?-999 ?-999 ? OXT ACT B 202 mASN~H 37 60.95 60.70 38.81 61.52 61.49 39.02 58.45 60.26 39.03 57.63 59.33 39.14 59.87 60.15 39.65 59.93 60.75 41.08 2 0 27.33-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 38 58.18 61.37 38.34 58.91 62.05 38.37 56.76 60.49 36.50 55.71 59.88 36.31 56.90 61.53 37.60 56.80 62.95 36.97 2 0 27.94-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 39 57.85 60.29 35.77 58.62 60.89 35.99 57.66 57.84 35.33 56.85 57.08 34.82 57.88 59.25 34.75 59.16 59.37 33.93 3 0 24.51-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 40 58.32 57.53 36.43 58.94 58.24 36.76 56.69 56.03 37.58 56.14 54.90 37.52 58.12 56.22 37.08 59.18 55.97 38.15 3 0 22.94-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 41 56.05 57.14 37.99 56.60 57.97 37.95 53.70 56.80 37.28 52.76 56.02 37.40 54.65 57.09 38.44 54.24 58.40 39.13 2 0 25.27-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 42 53.93 57.42 36.13 54.68 58.08 36.15 53.29 55.65 34.54 52.32 54.94 34.19 53.09 57.10 34.94 53.40 58.00 33.72 3 0 24.17-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 43 54.55 55.20 34.59 55.22 55.87 34.92 54.18 52.83 35.10 53.58 51.82 34.66 54.88 53.82 34.18 56.43 53.60 34.13 2 0 20.47-999 ?-999 ?-999 ? OXT ACT B 202 mGLN~H 44 54.25 53.11 36.40 54.76 53.93 36.65 52.09 52.17 37.15 51.49 51.11 37.27 53.61 52.26 37.37 53.93 52.78 38.79 2 0 21.47-999 ?-999 ?-999 ? OXT ACT B 202 mARG~H 45 51.46 53.31 36.91 52.04 54.12 36.90 49.63 52.49 35.46 48.63 51.78 35.48 50.02 53.33 36.69 49.54 54.78 36.54 2 0 23.57-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~H 46 50.44 52.57 34.41 51.25 53.15 34.55 50.31 50.33 33.45 49.50 49.51 33.01 50.15 51.84 33.17 51.14 52.31 32.08 3 0 20.89-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 47 51.33 49.97 34.24 51.90 50.72 34.56 50.45 48.05 35.44 49.96 46.91 35.27 51.59 48.58 34.57 52.95 48.40 35.30 2 0 18.54-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~H 48 49.99 48.90 36.36 50.50 49.75 36.42 47.55 48.24 36.33 46.87 47.22 36.51 48.81 48.52 37.19 48.51 49.65 38.22 3 0 21.66-999 ?-999 ?-999 ? OXT ACT B 202 mALA~H 49 47.25 49.17 35.43 47.88 49.95 35.44 46.18 47.74 33.73 45.18 47.03 33.63 46.12 49.06 34.50 46.14 50.28 33.53 2 0 22.46-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~H 50 47.36 47.41 33.21 48.09 48.09 33.31 47.24 44.91 33.42 46.53 43.96 33.00 47.55 46.13 32.54 48.96 46.02 31.96 2 0 19.11-999 ?-999 ?-999 ? OXT ACT B 202 mMETH 51 47.75 44.93 34.65 48.31 45.73 34.86 46.05 43.75 36.04 45.52 42.66 36.24 47.49 43.82 35.58 48.43 43.88 36.77 2 0 19.69-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 52 45.42 44.92 36.20 45.97 45.74 36.06 43.17 44.32 35.43 42.18 43.62 35.68 44.00 44.92 36.56 43.53 46.36 36.88 3 0 23.30-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 53 43.53 44.60 34.17 44.33 45.20 34.10 43.01 42.53 33.02 42.15 41.79 32.60 42.80 44.05 33.02 43.28 44.72 31.70 2 0 22.52-999 ?-999 ?-999 ? OXT ACT B 202 mASP~H 54 44.17 42.10 33.55 44.75 42.85 33.86 43.86 39.99 34.84 43.99 38.78 35.04 44.54 40.66 33.64 46.03 40.51 33.82 2 0 20.43-999 ?-999 ?-999 ? OXT ACT B 202 mLYS.H 55 43.13 40.78 35.61 43.12 41.74 35.31 43.39 39.77 37.83 43.11 38.83 38.55 42.41 40.30 36.77 41.35 39.28 36.34 2 0 23.70-999 ?-999 ?-999 ? OXT ACT B 202 mARG.H 56 44.55 40.39 37.95 44.73 41.10 37.27 44.97 40.55 40.42 44.33 41.62 40.46 45.44 39.99 39.05 46.85 40.45 38.72 2 0 22.48-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 57 45.32 39.90 41.53 45.85 39.06 41.37 45.68 41.70 43.15 46.77 41.98 42.58 44.92 40.41 42.85 45.24 39.44 43.98 2 0 25.46-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~H 58 45.14 42.50 44.05 44.25 42.20 44.40 47.22 43.38 45.09 48.20 44.12 44.88 45.86 43.71 44.44 45.03 44.54 45.43 3 0 26.58-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 59 47.29 42.29 45.88 46.43 41.81 46.03 49.62 41.62 45.36 50.74 42.08 45.47 48.57 41.88 46.45 48.41 40.62 47.32 3 0 26.17-999 ?-999 ?-999 ? OXT ACT B 202 mASP~H 60 49.23 40.86 44.35 48.31 40.49 44.48 50.53 41.90 42.53 51.73 42.13 42.29 50.08 40.58 43.16 49.26 39.78 42.11 2 0 22.44-999 ?-999 ?-999 ? OXT ACT B 202 mILE~H 61 49.56 42.78 42.28 48.65 42.48 42.57 50.79 44.93 42.42 51.74 45.55 41.88 49.84 44.07 41.62 48.52 44.85 41.33 3 0 22.15-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 62 50.56 44.99 43.72 49.79 44.42 44.04 52.79 45.25 44.60 53.75 45.98 44.52 51.37 45.82 44.59 50.76 45.83 46.02 2 0 24.26-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 63 52.91 43.92 44.68 52.05 43.41 44.73 54.99 43.56 43.38 56.12 43.99 43.40 54.24 43.30 44.69 54.10 41.79 44.99 2 0 21.35-999 ?-999 ?-999 ? O ACT F 201 mLYS~H 64 54.35 43.37 42.23 53.40 43.08 42.33 55.37 45.04 40.66 56.45 45.37 40.21 55.05 43.59 40.95 54.24 42.99 39.76 2 0 18.85-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 65 54.44 45.94 40.93 53.66 45.57 41.45 55.06 48.29 41.53 55.42 49.44 41.21 54.57 47.33 40.48 53.19 47.86 39.99 2 0 20.22-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~H 66 55.05 47.89 42.79 54.81 46.93 42.92 54.15 49.71 44.29 54.27 50.51 45.22 55.35 48.83 43.87-999.99-999.99-999.99 1 0 23.26-999 ?-999 ?-999 ? O ACT F 201 mALA.H 67 53.01 49.59 43.61 53.00 48.85 42.93 51.14 50.28 45.20 50.89 49.15 45.61 51.86 50.48 43.85 50.86 50.39 42.70 2 0 25.49-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 68 50.77 51.38 45.86 51.13 52.23 45.48 48.48 50.90 46.60 48.11 51.04 45.43 49.89 51.30 47.03 49.80 52.68 47.73 2 0 29.14-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 69 47.71 50.42 47.56 48.19 50.24 48.42 45.54 51.40 46.81 44.73 51.27 45.87 46.28 50.17 47.38 45.70 49.86 48.71 2 0 30.66-999 ?-999 ?-999 ? OXT ACT B 202 mALA~H 70 45.88 52.58 47.34 46.59 52.56 48.05 45.52 54.02 45.42 44.63 54.42 44.69 45.25 53.80 46.89 45.74 55.01 47.70 2 0 32.55-999 ?-999 ?-999 ? OXT ACT B 202 mTHR~H 71 46.78 53.84 45.01 47.44 53.58 45.71 46.37 53.02 42.74 45.86 53.40 41.69 47.14 54.01 43.63 48.66 53.81 43.46 2 0 29.52-999 ?-999 ?-999 ? OXT ACT B 202 mILE~H 72 46.30 51.77 43.16 46.78 51.60 44.02 44.08 51.07 42.28 43.57 50.98 41.19 45.58 50.74 42.42 45.73 49.37 43.08 3 0 27.93-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 73 43.41 51.40 43.38 43.92 51.31 44.24 41.78 53.03 42.35 40.76 53.04 41.65 42.03 51.87 43.31 41.46 52.26 44.70 2 0 31.27-999 ?-999 ?-999 ? OXT ACT B 202 mARG~H 74 42.64 54.04 42.38 43.35 53.97 43.08 42.66 54.71 39.98 41.92 55.18 39.11 42.51 55.14 41.46 43.54 56.27 41.77 2 0 31.61-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~H 75 43.65 53.88 39.69 44.27 53.67 40.45 42.51 52.55 37.97 41.94 52.74 36.88 43.79 53.33 38.33 45.06 52.43 38.16 3 0 28.18-999 ?-999 ?-999 ? OXT ACT B 202 mASN~H 76 42.04 51.72 38.90 42.57 51.69 39.75 39.63 51.80 38.33 38.83 51.48 37.45 40.84 50.92 38.67 40.52 50.07 39.91 2 0 29.19-999 ?-999 ?-999 ? OXT ACT B 202 mARG~H 77 39.49 52.91 39.06 40.20 53.04 39.75 38.53 54.40 37.41 37.52 54.50 36.70 38.40 53.86 38.85 38.44 54.99 39.91 2 0 32.53-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 78 39.75 54.71 36.98 40.47 54.53 37.66 39.69 54.23 34.57 39.01 54.52 33.58 40.02 55.26 35.65 41.49 55.67 35.51 2 0 30.85-999 ?-999 ?-999 ? OXT ACT B 202 mLEU~H 79 40.19 53.02 34.76 40.80 52.96 35.55 38.37 51.72 33.71 37.90 51.48 32.61 39.87 51.90 33.88 40.41 50.64 34.52 3 0 28.54-999 ?-999 ?-999 ? OXT ACT B 202 mASN~H 80 37.61 51.81 34.80 38.12 52.04 35.63 35.37 52.75 34.26 34.53 52.59 33.38 36.18 51.57 34.78 35.72 51.24 36.18 2 0 31.68-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~H 81 35.63 53.93 34.79 36.44 53.95 35.37 35.36 56.11 33.59 34.68 57.08 33.32 34.79 55.08 34.53 34.35 55.77 35.84 3 0 34.45-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~H 82 36.58 55.90 33.10 36.94 54.99 33.32 36.97 56.83 30.83 35.86 56.48 30.45 37.31 56.90 32.31-999.99-999.99-999.99 1 0 32.90-999 ?-999 ?-999 ? OXT ACT B 202 mASN.H 83 37.95 57.13 30.00 38.83 57.27 30.44 37.88 55.92 27.77 37.73 55.92 26.54 37.72 57.24 28.55 38.71 58.25 27.96 2 0 32.14-999 ?-999 ?-999 ? OXT ACT B 202 mASP~H 84 38.18 54.84 28.47 38.09 54.97 29.46 39.92 53.77 27.08 40.15 53.11 26.08 38.59 53.59 27.82 37.47 53.11 26.87 2 0 29.22-999 ?-999 ?-999 ? OXT ACT B 202 mGLY~H 85 40.76 54.67 27.56 40.45 55.12 28.40 43.06 53.84 27.08 43.88 53.58 26.19 42.04 54.96 26.90-999.99-999.99-999.99 1 0 27.23-999 ?-999 ?-999 ? OXT ACT B 202 mTYR~H 86 43.03 53.22 28.25 42.37 53.58 28.90 43.53 50.97 27.58 44.40 50.35 26.97 43.91 52.10 28.52 43.74 51.61 29.94 3 0 24.17-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 87 42.24 50.69 27.49 41.63 51.27 28.03 42.11 49.90 25.12 42.53 49.02 24.36 41.80 49.61 26.61 40.32 49.26 26.83 2 0 24.29-999 ?-999 ?-999 ? OXT ACT B 202 mMETH 88 41.97 51.15 24.72 41.64 51.78 25.43 43.73 51.22 22.99 44.00 50.62 21.94 42.26 51.55 23.35 42.05 53.07 23.18 2 0 24.94-999 ?-999 ?-999 ? OXT ACT B 202 mVAL~H 89 44.66 51.65 23.84 44.32 52.12 24.65 46.42 49.92 23.67 47.18 49.41 22.84 46.07 51.40 23.53 47.08 52.33 24.25 3 0 21.82-999 ?-999 ?-999 ? OXT ACT B 202 mPHE~H 90 45.83 49.21 24.64 45.23 49.74 25.24 45.64 47.02 23.49 46.32 46.08 23.06 46.08 47.75 24.78 45.37 47.08 25.98 3 0 19.61-999 ?-999 ?-999 ? OXT ACT B 202 mSER~H 91 44.51 47.44 22.89 44.07 48.21 23.35 44.88 47.19 20.52 45.24 46.36 19.70 44.00 46.81 21.67 42.61 47.30 21.34 2 0 21.21-999 ?-999 ?-999 ? OXT ACT B 202 mARG~H 92 45.24 48.46 20.45 44.89 49.07 21.17 47.43 48.12 19.35 47.88 47.72 18.29 46.09 48.86 19.36 46.31 50.35 19.35 2 0 20.96-999 ?-999 ?-999 ? OXT ACT B 202 mMETH 93 48.03 47.92 20.52 47.52 48.26 21.31 49.28 45.81 20.20 50.27 45.26 19.73 49.34 47.27 20.61 49.96 47.44 22.00 2 0 17.19-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~H 94 48.10 45.23 20.35 47.43 45.82 20.80 47.79 43.70 18.38 48.11 42.63 17.89 47.80 43.87 19.91 46.47 43.41 20.50 2 0 17.01-999 ?-999 ?-999 ? OXT ACT B 202 mGLU~H 95 47.44 44.74 17.64 47.21 45.56 18.16 48.78 44.46 15.57 48.89 43.80 14.53 47.39 44.68 16.18 46.81 45.96 15.59 2 0 19.08-999 ?-999 ?-999 ? OXT ACT B 202 mLYS~H 96 49.81 45.02 16.22 49.54 45.60 16.98 51.52 43.33 15.43 52.26 43.05 14.46 51.22 44.80 15.81 52.18 45.32 16.90 2 0 16.43-999 ?-999 ?-999 ? OXT ACT B 202 mGLU.H 97 50.92 42.41 16.18 50.42 42.81 16.95 50.78 40.56 14.48 51.16 39.44 14.10 50.95 40.97 15.94 49.81 40.33 16.70 2 0 15.22-999 ?-999 ?-999 ? OXT ACT B 202 mTHR.H 98 50.19 41.46 13.69 49.98 42.32 14.15 50.02 42.46 11.42 50.22 42.37 10.20 49.86 41.21 12.28 48.43 40.58 12.13 2 0 18.40-999 ?-999 ?-999 ? OXT ACT B 202