HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-SEP-04 1XE1 COMPND HYPOTHETICAL PROTEIN PF0907; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; SOURCE 3 ORGANISM_TAXID: 2261; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR J.C.CHANG,M.ZHAO,W.ZHOU,Z.J.LIU,W.TEMPEL,W.B.ARENDALL III,L.CHEN, AUTHOR 2 D.LEE,J.E.HABEL,J.P.ROSE,J.S.RICHARDSON,D.C.RICHARDSON,B.C.WANG, AUTHOR 3 SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS (SECSG) HET MSE A 38 8 HET MSE A 51 12 HET SO4 A 301 5 SITE 1 AC1 3 ARG A 69 LYS A 76 LYS A 93 mILE.A 18 78.82 29.64 -6.30 78.16 29.90 -5.59 80.53 27.95 -7.01 80.60 27.05 -7.84 79.80 29.26 -7.35 80.82 30.40 -7.61 3 0 24.00-999 ?-999 ?-999 ? O3 SO4 A 301 mGLU.A 19 81.06 27.86 -5.78 80.91 28.66 -5.21 81.59 26.34 -3.87 81.38 27.25 -3.07 81.78 26.66 -5.36 83.28 26.79 -5.67 2 0 25.92-999 ?-999 ?-999 ? O3 SO4 A 301 mILE.A 20 81.67 25.07 -3.51 81.86 24.44 -4.27 82.86 24.43 -1.48 83.66 23.62 -1.97 81.50 24.65 -2.13 80.60 23.38 -2.06 3 0 25.84-999 ?-999 ?-999 ? O3 SO4 A 301 mLEU.A 21 83.12 25.13 -0.38 82.37 25.70 -0.05 84.52 24.07 1.46 85.60 23.56 1.74 84.43 25.04 0.26 84.97 26.43 0.63 3 0 27.44-999 ?-999 ?-999 ? O3 SO4 A 301 mSER.A 22 83.40 23.81 2.14 82.58 24.26 1.79 83.49 21.44 2.90 83.08 21.07 1.81 83.42 22.91 3.30 82.19 23.14 4.20 2 0 27.62-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS.A 24 82.11 18.82 4.87 82.50 19.60 5.36 79.68 19.11 5.23 79.85 20.32 5.43 80.88 18.14 5.26 81.05 17.50 6.64 2 0 29.15-999 ?-999 ?-999 ? O3 SO4 A 301 mPRO.A 25 78.47 18.59 4.96 78.48 17.61 4.74 76.97 19.98 6.39 77.19 19.29 7.39 77.25 19.41 4.99 76.14 18.42 4.60 3 0 25.90-999 ?-999 ?-999 ? O3 SO4 A 301 mALA.A 26 76.51 21.22 6.45 76.58 21.73 5.59 74.58 21.15 8.02 74.22 20.99 9.19 75.96 21.77 7.70 75.86 23.29 7.62 2 0 23.47-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY^A 27 73.82 20.82 6.98 74.23 20.95 6.08 72.01 19.60 5.92 72.67 19.70 4.89 72.48 20.29 7.18-999.99-999.99-999.99 1 0 22.81-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS^A 28 70.89 18.87 6.02 70.55 18.80 6.96 68.75 18.55 4.87 68.14 18.62 5.95 70.24 18.25 4.86 70.45 16.73 4.85 2 0 23.60-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL^A 29 68.19 18.76 3.68 68.83 18.70 2.92 66.12 17.96 2.63 66.58 17.73 1.50 66.76 19.03 3.52 66.51 20.45 2.91 3 0 21.87-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL^A 30 65.08 17.29 3.14 64.89 17.45 4.11 63.24 17.25 1.59 62.47 17.97 2.23 64.31 16.39 2.28 63.71 15.14 3.02 3 0 24.18-999 ?-999 ?-999 ? O4 SO4 A 301 mVAL^A 31 63.22 17.17 0.27 63.88 16.52 -0.11 60.95 17.32 -0.55 60.79 16.15 -0.91 62.32 17.96 -0.55 62.86 18.14 -1.97 3 0 22.94-999 ?-999 ?-999 ? O3 SO4 A 301 mGLU^A 32 59.96 18.11 -0.13 60.28 18.99 0.21 57.88 18.18 -1.44 57.13 17.41 -2.05 58.56 17.73 -0.14 57.88 18.30 1.09 2 0 23.05-999 ?-999 ?-999 ? O4 SO4 A 301 mGLU^A 33 58.15 19.41 -1.88 58.77 19.91 -1.27 58.59 20.99 -3.67 59.31 21.63 -2.88 57.59 19.95 -3.13 56.22 20.64 -2.93 2 0 21.95-999 ?-999 ?-999 ? O2 SO4 A 301 mVAL^A 34 58.66 21.11 -4.99 58.09 20.45 -5.48 58.58 22.86 -6.62 57.81 22.25 -7.36 59.49 22.10 -5.68 60.58 21.47 -6.59 3 0 20.80-999 ?-999 ?-999 ? O2 SO4 A 301 mVAL^A 35 58.65 24.18 -6.59 59.19 24.56 -5.84 58.85 26.07 -8.17 59.63 26.68 -7.43 57.94 24.97 -7.60 56.57 25.46 -7.07 3 0 19.41-999 ?-999 ?-999 ? O2 SO4 A 301 mASN^A 36 58.79 26.25 -9.48 58.28 25.56 -9.98 58.43 28.51 -10.33 57.36 28.29 -10.88 59.45 27.39 -10.12 60.14 27.02 -11.45 2 0 19.12-999 ?-999 ?-999 ? O2 SO4 A 301 mILE^A 37 58.75 29.70 -9.82 59.64 29.72 -9.36 58.74 32.02 -10.36 59.71 32.33 -9.67 57.86 30.85 -9.94 57.18 31.18 -8.60 3 0 16.85-999 ?-999 ?-999 ? O2 SO4 A 301 mMETA 38 58.41 32.66 -11.48 57.63 32.27 -11.98 60.68 33.53 -11.90 61.49 34.26 -11.32 59.16 33.83 -11.91 58.84 35.04 -11.00 2 0 16.95-999 ?-999 ?-999 ? O2 SO4 A 301 mGLY.A 39 61.03 32.41 -12.53 60.25 31.88 -12.86 63.17 31.51 -11.48 64.36 31.23 -11.58 62.42 32.00 -12.70-999.99-999.99-999.99 1 0 18.64-999 ?-999 ?-999 ? O2 SO4 A 301 mLYS^A 40 62.50 31.40 -10.33 61.53 31.63 -10.40 62.54 29.70 -8.54 61.32 29.52 -8.57 63.16 30.98 -9.10 63.15 32.10 -8.06 2 0 16.34-999 ?-999 ?-999 ? O2 SO4 A 301 mASP^A 41 63.41 28.82 -8.06 64.37 29.08 -8.21 62.60 27.90 -5.96 63.36 28.52 -5.19 63.02 27.58 -7.37 64.18 26.60 -7.31 2 0 17.38-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL^A 42 61.38 27.52 -5.62 60.81 27.23 -6.38 60.81 26.08 -3.81 60.08 25.30 -4.43 60.96 27.53 -4.23 59.66 28.32 -4.02 3 0 15.37-999 ?-999 ?-999 ? O2 SO4 A 301 mILE^A 43 61.54 25.73 -2.76 62.06 26.48 -2.36 60.88 24.33 -0.92 61.12 25.18 -0.05 61.58 24.36 -2.25 63.04 23.89 -2.16 3 0 17.32-999 ?-999 ?-999 ? O3 SO4 A 301 mILE^A 44 59.94 23.40 -0.79 59.73 22.92 -1.64 59.85 21.78 0.96 60.01 20.84 0.17 59.28 23.11 0.48 57.74 23.09 0.32 3 0 17.67-999 ?-999 ?-999 ? O4 SO4 A 301 mGLY^A 45 60.23 21.71 2.22 60.02 22.51 2.78 61.09 20.58 4.22 60.62 21.50 4.88 60.90 20.52 2.71-999.99-999.99-999.99 1 0 19.68-999 ?-999 ?-999 ? O4 SO4 A 301 mTHR^A 46 61.74 19.55 4.75 62.03 18.85 4.10 63.46 19.27 6.37 64.06 18.45 5.69 61.98 19.48 6.19 61.18 18.34 6.82 2 0 20.55-999 ?-999 ?-999 ? O4 SO4 A 301 mVAL^A 47 64.05 20.05 7.27 63.47 20.77 7.66 65.59 18.49 8.32 64.95 18.23 9.33 65.45 19.84 7.64 66.00 21.01 8.54 3 0 20.88-999 ?-999 ?-999 ? O4 SO4 A 301 mGLU^A 48 66.44 17.64 7.75 66.99 18.07 7.03 67.61 16.05 9.19 67.47 15.16 10.03 66.56 16.24 8.11 66.97 15.44 6.87 2 0 24.67-999 ?-999 ?-999 ? O4 SO4 A 301 mSER^A 49 68.68 16.83 9.12 68.67 17.49 8.37 70.52 18.05 10.05 70.47 18.77 9.03 69.79 16.73 10.07 70.75 15.58 9.71 2 0 25.51-999 ?-999 ?-999 ? O4 SO4 A 301 mGLY^A 50 71.15 18.39 11.17 71.08 17.72 11.92 71.03 20.88 11.17 69.98 20.99 11.79 71.89 19.63 11.28-999.99-999.99-999.99 1 0 23.98-999 ?-999 ?-999 ? O3 SO4 A 301 mMETA 51 71.52 21.85 10.42 72.31 21.58 9.87 71.30 23.86 9.09 72.28 23.52 8.46 70.95 23.20 10.40 71.52 24.02 11.58 2 0 20.27-999 ?-999 ?-999 ? O3 SO4 A 301 mILE^A 52 70.47 24.81 8.67 69.66 24.94 9.24 70.50 27.03 7.83 69.70 27.34 8.73 70.74 25.58 7.48 69.81 25.14 6.32 3 0 17.44-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY^A 53 71.18 27.93 7.12 71.82 27.55 6.45 71.00 30.11 6.04 71.45 29.60 5.01 70.99 29.35 7.34-999.99-999.99-999.99 1 0 14.50-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL.A 54 70.47 31.33 6.08 70.04 31.54 6.95 71.98 32.44 4.54 72.86 32.63 5.40 70.53 32.25 4.93 69.80 33.57 5.26 3 0 11.76-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY.A 55 72.24 32.33 3.24 71.43 32.19 2.67 74.33 31.09 2.57 75.42 31.08 2.00 73.59 32.40 2.71-999.99-999.99-999.99 1 0 14.12-999 ?-999 ?-999 ? O3 SO4 A 301 mPHE.A 56 73.78 29.99 3.09 72.90 30.14 3.56 74.29 28.21 1.53 73.47 28.73 0.78 74.43 28.69 2.98 73.81 27.67 3.92 3 0 17.08-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS^A 57 75.10 27.23 1.17 75.66 26.86 1.91 74.41 25.42 -0.38 74.53 24.52 0.46 75.16 26.74 -0.20 76.63 26.58 -0.63 2 0 19.46-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL^A 58 73.61 25.36 -1.44 73.60 26.20 -1.98 73.50 23.43 -2.93 73.67 23.97 -4.02 72.83 24.17 -1.78 71.37 24.53 -2.19 3 0 20.40-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS^A 59 73.89 22.19 -2.67 73.77 21.90 -1.72 73.32 20.68 -4.49 72.70 19.73 -4.01 74.46 21.35 -3.71 75.36 20.30 -3.08 2 0 24.10-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY.A 60 73.03 21.20 -5.68 73.56 22.02 -5.92 72.66 19.57 -7.48 73.88 19.41 -7.48 72.04 20.61 -6.55-999.99-999.99-999.99 1 0 24.69-999 ?-999 ?-999 ? O3 SO4 A 301 mPRO.A 61 71.83 18.87 -8.26 70.86 19.09 -8.14 73.25 18.49 -10.26 74.25 17.88 -10.61 72.33 17.86 -9.21 71.06 17.34 -9.88 3 0 28.22-999 ?-999 ?-999 ? O3 SO4 A 301 mSER.A 62 72.92 19.70 -10.71 72.14 20.13 -10.25 74.41 21.59 -11.40 75.22 22.09 -12.18 73.67 20.33 -11.80 72.73 20.66 -12.97 2 0 28.24-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY.A 63 74.14 22.12 -10.21 73.54 21.57 -9.63 74.70 23.70 -8.34 74.21 22.91 -7.53 74.70 23.40 -9.83-999.99-999.99-999.99 1 0 25.48-999 ?-999 ?-999 ? O3 SO4 A 301 mILE^A 64 75.27 24.84 -7.97 75.63 25.40 -8.72 74.57 26.48 -6.41 74.81 27.46 -7.11 75.35 25.21 -6.58 76.82 25.33 -6.13 3 0 22.95-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY^A 65 73.61 26.46 -5.50 73.53 25.59 -5.00 73.00 28.18 -3.88 73.68 27.59 -3.04 72.77 27.60 -5.25-999.99-999.99-999.99 1 0 19.24-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY^A 66 72.43 29.35 -3.65 71.91 29.72 -4.42 71.20 30.20 -1.76 70.24 30.53 -2.45 72.56 30.02 -2.37-999.99-999.99-999.99 1 0 16.22-999 ?-999 ?-999 ? O3 SO4 A 301 mILE^A 67 71.10 29.96 -0.47 71.93 29.63 -0.02 69.68 31.67 0.43 70.47 32.31 1.13 69.84 30.19 0.20 69.74 29.43 1.54 3 0 13.48-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL^A 68 68.59 32.19 -0.12 67.98 31.52 -0.54 67.32 33.95 0.98 67.41 35.02 1.59 68.31 33.61 -0.13 67.80 34.01 -1.54 3 0 10.25-999 ?-999 ?-999 ? O3 SO4 A 301 mARG^A 69 66.40 33.03 1.26 66.49 32.18 0.74 64.83 31.95 2.76 64.81 30.97 2.02 65.35 33.28 2.24 64.21 34.05 1.58 2 0 -8.11-999 ?-999 ?-999 ? O3 SO4 A 301s mILE^A 70 64.42 31.94 4.02 64.57 32.80 4.50 62.56 31.23 5.34 62.55 32.22 6.08 63.81 30.78 4.64 64.75 30.09 5.68 3 0 9.75-999 ?-999 ?-999 ? O3 SO4 A 301 mGLU^A 71 61.48 30.48 5.15 61.59 29.73 4.50 59.83 29.56 6.62 59.93 28.44 6.09 60.27 30.77 5.88 59.15 31.25 4.94 2 0 9.17-999 ?-999 ?-999 ? O4 SO4 A 301 mARG^A 72 59.33 29.76 7.82 59.29 30.73 8.10 57.56 29.13 9.33 57.52 30.19 9.94 58.87 28.68 8.67 59.93 28.32 9.71 2 0 11.70-999 ?-999 ?-999 ? O4 SO4 A 301 mASN.A 73 56.51 28.33 9.20 56.72 27.45 8.78 54.80 30.11 9.14 54.39 30.97 9.91 55.17 28.73 9.66 55.07 28.70 11.19 2 0 12.87-999 ?-999 ?-999 ? O4 SO4 A 301 mARG.A 74 54.99 30.30 7.83 55.36 29.50 7.37 55.40 32.79 7.72 54.87 33.90 7.68 54.69 31.56 7.13 53.16 31.77 7.05 2 0 10.10-999 ?-999 ?-999 ? O4 SO4 A 301 mGLU^A 75 56.61 32.58 8.25 56.93 31.63 8.16 58.85 33.58 8.41 59.45 32.51 8.35 57.40 33.63 8.90 57.36 33.40 10.42 2 0 7.57-999 ?-999 ?-999 ? O4 SO4 A 301 mLYS^A 76 59.41 34.73 8.06 58.80 35.51 8.08 61.68 34.42 8.89 61.42 34.88 9.99 60.82 34.79 7.67 61.16 36.18 7.14 2 0 -5.54-999 ?-999 ?-999 ? O4 SO4 A 301s mVAL^A 77 62.65 33.53 8.68 62.66 33.15 7.75 65.00 33.18 9.09 65.12 33.10 7.86 63.62 33.15 9.71 63.32 31.76 10.34 3 0 8.60-999 ?-999 ?-999 ? O4 SO4 A 301 mGLU.A 78 66.04 33.30 9.91 65.81 33.32 10.89 68.04 32.01 9.31 68.98 31.82 8.55 67.40 33.39 9.41 68.26 34.31 10.32 2 0 10.16-999 ?-999 ?-999 ? O3 SO4 A 301 mPHE^A 79 67.54 31.07 10.10 66.78 31.38 10.68 66.96 28.72 10.50 65.92 29.11 11.04 68.06 29.71 10.12 69.29 29.56 11.06 3 0 13.54-999 ?-999 ?-999 ? O3 SO4 A 301 mALA^A 80 67.19 27.44 10.21 68.04 27.28 9.71 67.07 25.16 10.98 68.20 24.98 10.52 66.26 26.39 10.60 65.26 26.11 9.43 2 0 15.64-999 ?-999 ?-999 ? O4 SO4 A 301 mILE^A 81 66.50 24.32 11.83 65.55 24.56 12.07 66.38 21.89 12.13 65.22 21.99 11.76 67.20 23.16 12.37 67.48 23.35 13.90 3 0 19.37-999 ?-999 ?-999 ? O4 SO4 A 301 mALA.A 82 66.98 20.73 12.38 67.90 20.85 12.74 64.93 19.38 12.68 64.67 19.79 13.81 66.35 19.42 12.16 67.20 18.30 12.80 2 0 22.37-999 ?-999 ?-999 ? O4 SO4 A 301 mGLY.A 83 64.01 18.89 11.84 64.36 18.58 10.96 61.77 20.00 11.77 60.55 19.91 11.81 62.61 18.82 12.21-999.99-999.99-999.99 1 0 22.23-999 ?-999 ?-999 ? O4 SO4 A 301 mASP.A 84 62.42 21.10 11.37 63.42 21.05 11.45 61.25 22.04 9.44 62.06 21.70 8.58 61.71 22.28 10.86 62.59 23.54 10.85 2 0 18.45-999 ?-999 ?-999 ? O4 SO4 A 301 mARG^A 85 59.97 22.27 9.21 59.42 22.44 10.03 59.39 23.68 7.34 58.81 24.57 7.95 59.42 22.25 7.87 58.03 21.65 7.87 2 0 17.83-999 ?-999 ?-999 ? O4 SO4 A 301 mILE^A 86 60.04 23.89 6.20 60.30 23.06 5.70 60.10 25.39 4.24 60.09 24.38 3.52 60.32 25.25 5.74 61.82 25.60 6.06 3 0 14.70-999 ?-999 ?-999 ? O4 SO4 A 301 mGLY^A 87 59.92 26.64 3.80 59.64 27.29 4.50 61.45 27.75 2.26 61.83 28.52 3.13 60.12 27.02 2.41-999.99-999.99-999.99 1 0 13.36-999 ?-999 ?-999 ? O4 SO4 A 301 mILE^A 88 62.14 27.50 1.16 61.67 26.87 0.54 63.42 28.66 -0.55 62.93 28.01 -1.48 63.44 28.06 0.86 64.51 26.95 0.89 3 0 12.87-999 ?-999 ?-999 ? O3 SO4 A 301 mSER^A 89 63.94 29.88 -0.72 64.08 30.38 0.13 65.75 30.23 -2.30 66.59 30.57 -1.45 64.29 30.40 -2.05 63.98 31.89 -2.21 2 0 12.06-999 ?-999 ?-999 ? O3 SO4 A 301 mILE^A 90 66.06 29.71 -3.47 65.28 29.49 -4.05 67.84 30.51 -4.95 67.00 30.97 -5.76 67.44 29.50 -3.86 67.66 28.01 -4.26 3 0 14.65-999 ?-999 ?-999 ? O3 SO4 A 301 mGLU^A 91 69.12 30.89 -4.92 69.62 30.54 -4.12 70.70 30.87 -6.73 71.54 30.16 -6.16 69.75 31.73 -5.93 70.52 32.90 -5.29 2 0 15.48-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY.A 92 70.57 30.93 -8.05 69.87 31.57 -8.37 70.60 28.95 -9.44 69.65 28.52 -8.80 71.39 30.14 -8.94-999.99-999.99-999.99 1 0 19.20-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS.A 93 70.99 28.44 -10.60 71.75 28.93 -11.03 71.09 26.04 -10.66 72.30 25.89 -10.86 70.36 27.27 -11.18 70.41 27.33 -12.71 2 0 -21.96-999 ?-999 ?-999 ? O3 SO4 A 301s mILE.A 94 70.34 25.17 -9.98 69.37 25.38 -9.95 70.59 22.69 -10.07 71.07 21.62 -9.69 70.94 24.00 -9.36 70.59 23.93 -7.84 3 0 23.14-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY.A 95 69.77 22.78 -11.11 69.47 23.71 -11.33 68.00 21.07 -11.39 67.33 21.68 -10.56 69.34 21.61 -11.86-999.99-999.99-999.99 1 0 25.84-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS.A 96 67.61 19.92 -11.92 68.30 19.47 -12.49 66.19 18.75 -10.26 66.82 17.73 -9.99 66.28 19.38 -11.66 65.86 18.39 -12.76 2 0 26.74-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL.A 97 65.42 19.38 -9.39 65.04 20.24 -9.74 63.76 18.30 -8.06 62.85 18.87 -8.68 65.15 18.87 -8.04 65.24 19.99 -6.98 3 0 25.01-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS.A 98 63.58 17.16 -7.38 64.40 16.85 -6.89 61.92 16.18 -5.91 62.80 16.01 -5.05 62.32 16.45 -7.36 62.49 15.10 -8.07 2 0 26.64-999 ?-999 ?-999 ? O3 SO4 A 301 mLYS.A 99 60.62 16.13 -5.64 60.04 16.49 -6.37 60.84 14.32 -4.00 61.01 13.43 -4.83 60.09 15.61 -4.38 58.58 15.35 -4.55 2 0 26.33-999 ?-999 ?-999 ? O3 SO4 A 301 mGLY.A 100 61.34 14.23 -2.77 61.18 15.02 -2.17 63.58 13.12 -2.42 64.28 12.32 -1.79 62.07 13.03 -2.36-999.99-999.99-999.99 1 0 28.15-999 ?-999 ?-999 ? O3 SO4 A 301 mASP.A 101 64.11 14.07 -3.19 63.46 14.55 -3.78 65.93 14.86 -1.73 65.13 15.51 -1.07 65.55 14.36 -3.12 65.94 15.43 -4.14 2 0 27.29-999 ?-999 ?-999 ? O3 SO4 A 301 mVAL^A 102 67.14 14.54 -1.30 67.63 13.90 -1.89 68.84 16.02 -0.50 69.83 15.57 -1.07 67.70 15.09 -0.06 68.20 13.99 0.89 3 0 26.28-999 ?-999 ?-999 ? O3 SO4 A 301 mLEU^A 103 68.67 17.33 -0.28 67.81 17.57 0.16 70.68 18.52 0.47 70.28 18.73 1.61 69.69 18.29 -0.66 69.04 19.61 -1.06 3 0 23.90-999 ?-999 ?-999 ? O3 SO4 A 301 mGLU^A 104 71.97 18.43 0.16 72.15 18.13 -0.77 73.30 20.25 1.11 73.44 20.86 0.04 73.02 18.76 1.13 74.31 18.00 0.84 2 0 24.45-999 ?-999 ?-999 ? O3 SO4 A 301 mILE^A 105 73.37 20.83 2.31 73.29 20.19 3.07 74.82 22.58 3.26 75.10 21.96 4.30 73.54 22.27 2.47 72.26 22.90 3.08 3 0 21.52-999 ?-999 ?-999 ? O3 SO4 A 301 mTYR^A 106 75.59 23.53 2.75 75.16 24.07 2.03 77.09 25.15 3.76 76.67 26.12 3.14 76.96 23.75 3.22 77.97 23.52 2.08 3 0 22.36-999 ?-999 ?-999 ? O3 SO4 A 301 mGLN.A 107 77.71 25.23 4.93 77.95 24.34 5.32 78.82 27.38 4.64 78.48 28.55 4.42 78.00 26.48 5.59 78.74 26.15 6.88 2 0 21.19-999 ?-999 ?-999 ? O3 SO4 A 301 mTHR.A 108 79.87 26.81 4.06 80.09 25.90 4.43 81.04 26.37 1.97 81.02 25.17 2.26 80.64 27.44 2.97 81.94 28.16 3.49 2 0 22.69-999 ?-999 ?-999 ? O3 SO4 A 301