HEADER STRUCTURAL GENOMICS,UNKNOWN FUNCTION 20-AUG-03 1Q8C COMPND HYPOTHETICAL PROTEIN MG027; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOPLASMA GENITALIUM; SOURCE 3 ORGANISM_TAXID: 2097 AUTHOR J.LIU,H.YOKOTA,R.KIM,S.-H.KIM,BERKELEY STRUCTURAL GENOMICS CENTER AUTHOR 2 (BSGC) HET IOD A 152 1 HET IOD A 153 1 HET IOD A 154 1 HET IOD A 155 1 HET IOD A 156 1 HET IOD A 157 1 HET IOD A 158 1 HET CL A 159 1 HET CL A 160 1 HET NA A 161 1 HET NA A 162 1 HET NA A 163 1 SITE 1 AC1 3 ARG A 14 ASN A 54 IOD A 158 SITE 1 AC2 1 PRO A 33 SITE 1 AC3 1 LYS A 120 SITE 1 AC4 1 ASN A 82 SITE 1 AC5 5 ARG A 14 ARG A 17 ASN A 54 IOD A 153 SITE 1 AC6 1 ARG A 51 SITE 1 AC7 3 GLN A 40 LYS A 58 HOH A 170 SITE 1 AC8 3 LEU A 12 IOD A 158 HOH A 187 SITE 1 AC9 2 GLU A 66 ASN A 67 mLEU.A 12 35.55 -8.27 67.30 36.40 -8.68 66.98 34.11 -6.34 67.06 35.08 -5.72 66.68 34.28 -7.67 67.78 34.33 -7.45 69.29 3 0 -5.83-999 ?-999 ?-999 ? NA NA A 162s mTHR~A 13 32.87 -5.91 66.89 32.18 -6.54 67.25 32.52 -3.58 67.33 32.38 -3.92 68.50 32.53 -4.65 66.24 31.15 -4.76 65.69 2 0 4.87-999 ?-999 ?-999 ? NA NA A 162 mARG~A 14 32.66 -2.31 66.96 32.82 -2.17 65.99 31.24 -1.26 68.70 31.18 -0.94 69.89 32.58 -1.22 67.94 32.77 0.14 67.25 2 0 4.68-999 ?-999 ?-999 ? NA NA A 162s mTHR~A 15 30.17 -1.66 68.02 30.34 -1.86 67.06 28.86 -2.83 69.77 28.40 -2.55 70.88 28.85 -1.80 68.65 27.76 -2.17 67.63 2 0 7.70-999 ?-999 ?-999 ? CL CL A 159 mGLN~A 16 29.40 -4.01 69.50 29.70 -4.12 68.55 30.35 -4.57 71.74 30.02 -4.88 72.87 29.53 -5.06 70.52 30.17 -6.31 69.91 2 0 4.51-999 ?-999 ?-999 ? CL CL A 159 mARG~A 17 31.40 -3.79 71.48 31.55 -3.62 70.51 31.52 -2.22 73.40 31.71 -2.16 74.61 32.24 -3.24 72.54 33.44 -2.55 71.93 2 0 -6.62-999 ?-999 ?-999 ? I IOD A 158s mARG~A 18 30.70 -1.40 72.75 30.77 -1.46 71.76 28.82 -1.28 74.32 28.60 -0.92 75.47 29.81 -0.50 73.45 29.09 0.38 72.42 2 0 8.72-999 ?-999 ?-999 ? CL CL A 159 mILE~A 19 28.22 -2.35 73.79 28.48 -2.52 72.84 27.94 -3.71 75.85 27.35 -3.68 76.93 27.28 -3.17 74.57 26.67 -4.31 73.69 3 0 5.95-999 ?-999 ?-999 ? CL CL A 160 mALA~A 20 29.20 -4.14 75.74 29.57 -4.11 74.81 30.12 -3.55 78.00 30.06 -3.86 79.18 29.96 -4.61 76.90 31.34 -5.16 76.46 2 0 4.02-999 ?-999 ?-999 ? CL CL A 160 mVAL~A 21 30.30 -2.29 77.63 30.34 -2.15 76.64 29.04 -0.95 79.25 28.90 -0.85 80.47 30.41 -1.21 78.61 30.98 0.03 77.94 3 0 7.58-999 ?-999 ?-999 ? CL CL A 160 mVAL~A 22 28.01 -0.88 78.41 28.25 -0.99 77.45 26.24 -1.72 79.94 25.70 -1.39 81.00 26.65 -0.67 78.89 25.66 -0.71 77.71 3 0 8.23-999 ?-999 ?-999 ? CL CL A 160 mGLU~A 23 26.48 -2.98 79.64 26.93 -3.12 78.75 26.86 -3.91 81.86 26.31 -4.11 82.93 26.10 -4.05 80.54 26.33 -5.44 79.92 2 0 6.19-999 ?-999 ?-999 ? CL CL A 160 mPHE~A 24 28.13 -3.54 81.75 28.45 -3.42 80.81 28.42 -2.19 83.83 28.20 -2.39 85.03 28.97 -3.31 82.93 30.39 -2.97 82.46 3 0 7.83-999 ?-999 ?-999 ? CL CL A 160 mILE~A 25 28.19 -1.03 83.22 28.40 -1.04 82.24 26.36 -0.28 84.58 26.18 -0.07 85.78 27.68 0.14 83.92 27.45 1.31 82.93 3 0 11.05-999 ?-999 ?-999 ? CL CL A 160 mPHE~A 26 25.48 -0.92 83.82 25.79 -1.03 82.87 24.29 -2.18 85.60 23.47 -1.98 86.50 24.19 -1.40 84.30 23.51 -2.31 83.26 3 0 11.08-999 ?-999 ?-999 ? CL CL A 160 mSER~A 27 25.27 -3.09 85.66 25.86 -3.10 84.85 25.90 -3.23 88.03 25.68 -3.70 89.15 25.45 -3.98 86.80 26.46 -5.10 86.47 2 0 11.23-999 ?-999 ?-999 ? CL CL A 160 mLEU~A 28 26.52 -2.07 87.82 26.63 -1.85 86.85 25.94 -0.26 89.42 26.02 0.15 90.59 27.01 -1.21 88.88 28.17 -0.33 88.38 3 0 10.32-999 ?-999 ?-999 ? I IOD A 154 mLEU~A 29 24.96 0.12 88.60 24.94 -0.33 87.71 23.11 0.68 90.21 22.50 1.50 90.86 24.00 1.13 89.06 23.15 1.67 87.90 3 0 8.95-999 ?-999 ?-999 ? I IOD A 154 mPHE~A 30 23.08 -0.62 90.49 23.63 -1.18 89.87 22.98 -0.96 92.95 22.33 -1.08 93.99 22.31 -1.17 91.59 22.10 -2.68 91.37 3 0 11.11-999 ?-999 ?-999 ? I IOD A 154 mPHE~A 31 24.28 -0.67 92.94 24.62 -0.46 92.03 26.06 0.56 94.22 27.21 0.44 94.70 25.12 -0.65 94.14 25.98 -1.92 94.14 3 0 9.59-999 ?-999 ?-999 ? I IOD A 154 mLEU~A 32 25.63 1.72 93.76 24.67 1.74 93.45 26.58 3.52 95.12 25.68 3.28 95.93 26.56 2.84 93.74 26.22 3.79 92.58 3 0 5.83-999 ?-999 ?-999 ? I IOD A 154 mPRO.A 33 27.59 4.32 95.44 27.48 4.67 96.37 29.95 3.82 94.97 29.99 3.28 96.08 28.75 4.68 94.61 29.03 6.09 95.09 3 0 -4.33-999 ?-999 ?-999 ? I IOD A 154s mLYS.A 34 30.91 3.73 94.04 30.67 4.17 93.18 33.25 4.04 93.88 33.01 4.90 93.04 32.18 3.04 94.25 32.29 1.82 93.32 2 0 7.07-999 ?-999 ?-999 ? I IOD A 154 mGLU~A 35 34.43 3.92 94.47 34.49 3.19 95.16 35.97 4.54 92.67 35.89 3.41 92.19 35.53 4.81 94.12 36.72 4.65 95.08 2 0 8.59-999 ?-999 ?-999 ? I IOD A 154 mALA~A 36 36.44 5.59 91.99 36.49 6.42 92.54 37.80 4.40 90.23 37.57 3.67 89.25 36.83 5.53 90.58 37.42 6.89 90.12 2 0 8.86-999 ?-999 ?-999 ? NA NA A 161 mGLU~A 37 38.87 4.24 91.00 38.94 4.86 91.78 39.28 1.81 90.94 39.61 0.87 90.24 39.85 3.21 90.68 41.16 3.44 91.42 2 0 7.85-999 ?-999 ?-999 ? NA NA A 161 mVAL~A 38 38.38 1.70 91.90 38.22 2.54 92.42 36.85 0.00 90.94 36.92 -1.16 90.57 37.68 0.45 92.16 36.84 0.55 93.45 3 0 9.35-999 ?-999 ?-999 ? NA NA A 161 mILE~A 39 36.11 0.91 90.30 36.16 1.83 90.70 36.20 0.15 87.97 35.91 -0.85 87.28 35.31 0.58 89.13 34.47 1.78 88.68 3 0 7.36-999 ?-999 ?-999 ? NA NA A 161 mGLN~A 40 37.26 0.92 87.75 37.29 1.74 88.32 38.89 -0.80 87.03 39.03 -1.55 86.09 38.30 0.60 86.77 39.39 1.68 86.75 2 0 -4.00-999 ?-999 ?-999 ? NA NA A 161s mALA~A 41 39.22 -1.16 88.28 39.12 -0.43 88.95 38.60 -3.60 88.48 38.90 -4.74 88.09 39.70 -2.53 88.59 40.35 -2.59 89.94 2 0 6.94-999 ?-999 ?-999 ? NA NA A 161 mASP~A 42 37.34 -3.26 88.79 37.27 -2.33 89.16 36.01 -4.51 87.12 35.67 -5.64 86.78 36.19 -4.16 88.62 34.87 -3.51 89.11 2 0 8.61-999 ?-999 ?-999 ? NA NA A 161 mPHE~A 43 36.23 -3.52 86.26 36.43 -2.64 86.71 37.19 -4.71 84.34 36.88 -5.49 83.46 36.19 -3.69 84.81 36.44 -2.38 84.04 3 0 6.38-999 ?-999 ?-999 ? NA NA A 161 mLEU~A 44 38.40 -4.72 84.91 38.57 -3.98 85.55 38.87 -7.17 84.93 39.08 -8.10 84.13 39.35 -5.76 84.58 40.70 -5.53 85.26 3 0 7.53-999 ?-999 ?-999 ? NA NA A 161 mGLU~A 45 38.24 -7.35 86.10 38.16 -6.52 86.65 36.50 -9.11 85.72 36.10 -10.28 85.77 37.72 -8.67 86.53 37.31 -8.66 87.99 2 0 10.96-999 ?-999 ?-999 ? NA NA A 161 mTYR~A 46 35.90 -8.15 85.02 36.35 -7.26 85.15 35.10 -8.96 82.81 34.23 -9.40 82.07 34.73 -8.33 84.17 34.15 -6.94 83.90 3 0 9.38-999 ?-999 ?-999 ? CL CL A 160 mASP.A 47 36.40 -8.96 82.48 36.98 -8.59 83.20 36.78 -10.95 81.11 36.87 -11.66 82.12 36.91 -9.44 81.21 38.39 -9.03 81.07 2 0 9.31-999 ?-999 ?-999 ? CL CL A 160 mTHR.A 48 36.54 -11.41 79.88 36.45 -10.68 79.20 36.90 -13.09 78.10 37.08 -12.18 77.31 36.43 -12.83 79.52 34.98 -13.31 79.60 2 0 9.27-999 ?-999 ?-999 ? CL CL A 160 mLYS.A 49 37.06 -14.37 77.80 36.94 -14.97 78.59 36.56 -14.15 75.40 37.13 -13.66 74.43 37.35 -14.89 76.47 37.03 -16.40 76.42 2 0 10.83-999 ?-999 ?-999 ? CL CL A 160 mGLU.A 50 35.26 -14.03 75.57 34.92 -14.40 76.44 34.52 -11.88 74.50 34.33 -11.29 73.44 34.41 -13.39 74.57 32.95 -13.75 74.80 2 0 7.97-999 ?-999 ?-999 ? CL CL A 160 mARG.A 51 34.81 -11.24 75.64 35.03 -11.82 76.42 36.08 -9.14 75.16 36.06 -8.08 74.52 34.79 -9.76 75.68 34.44 -9.27 77.09 2 0 -6.40-999 ?-999 ?-999 ? CL CL A 160s mGLN.A 52 37.21 -9.80 75.42 37.09 -10.61 75.98 38.60 -7.84 75.11 38.87 -7.11 74.17 38.49 -9.35 74.90 38.62 -9.68 73.40 2 0 10.08-999 ?-999 ?-999 ? CL CL A 160 mLEU.A 53 38.37 -7.40 76.35 38.28 -8.11 77.04 39.52 -5.25 76.23 40.59 -5.64 76.65 38.27 -5.97 76.63 38.05 -5.74 78.13 3 0 9.12-999 ?-999 ?-999 ? I IOD A 158 mASN~A 54 39.39 -4.17 75.46 38.44 -3.90 75.27 40.70 -2.08 75.59 39.86 -1.66 76.42 40.55 -3.45 74.95 40.55 -3.37 73.40 2 0 7.05-999 ?-999 ?-999 ? I IOD A 153s mGLU~A 55 41.78 -1.38 75.25 42.38 -1.83 74.59 40.96 0.96 75.43 40.65 1.82 76.23 42.05 -0.07 75.83 43.46 0.41 75.48 2 0 4.91-999 ?-999 ?-999 ? I IOD A 152 mTRP~A 56 40.38 0.84 74.25 40.72 0.09 73.69 38.14 1.74 74.86 37.68 2.77 75.30 39.31 1.76 73.83 38.82 1.41 72.41 3 0 4.18-999 ?-999 ?-999 ? I IOD A 152 mGLN~A 57 37.69 0.55 75.24 38.18 -0.20 74.81 36.99 0.81 77.64 36.18 1.37 78.37 36.60 0.36 76.21 36.22 -1.13 76.24 2 0 7.41-999 ?-999 ?-999 ? I IOD A 158 mLYS~A 58 38.23 0.51 78.02 38.74 0.01 77.33 38.88 2.38 79.49 38.81 2.89 80.62 38.78 0.88 79.33 40.19 0.26 79.49 2 0 -3.79-999 ?-999 ?-999 ? NA NA A 161s mLEU~A 59 39.03 3.10 78.39 39.08 2.57 77.54 37.68 5.14 78.70 37.54 6.13 79.40 39.09 4.57 78.47 39.72 5.18 77.22 3 0 5.43-999 ?-999 ?-999 ? NA NA A 161 mILE~A 60 36.66 4.50 78.14 36.94 3.74 77.55 34.90 4.69 79.85 34.30 5.55 80.48 35.26 4.90 78.37 34.28 4.08 77.45 3 0 6.77-999 ?-999 ?-999 ? I IOD A 156 mVAL~A 61 35.27 3.54 80.39 35.78 2.95 79.76 35.71 4.07 82.76 35.24 4.33 83.86 34.96 3.18 81.77 35.29 1.71 82.01 3 0 4.75-999 ?-999 ?-999 ? NA NA A 161 mLYS~A 62 36.87 4.54 82.35 37.14 4.21 81.45 36.97 6.82 83.21 36.88 7.41 84.28 37.66 5.44 83.14 39.10 5.53 82.57 2 0 4.16-999 ?-999 ?-999 ? NA NA A 161 mALA~A 63 36.49 7.32 82.08 36.68 6.76 81.28 34.48 8.48 82.87 34.14 9.40 83.63 35.76 8.59 82.04 35.46 8.95 80.61 2 0 4.06-999 ?-999 ?-999 ? NA NA A 163 mPHE~A 64 33.78 7.35 82.73 34.16 6.74 82.04 32.84 7.06 85.03 32.08 7.64 85.81 32.57 7.04 83.51 32.05 5.64 83.12 3 0 7.08-999 ?-999 ?-999 ? NA NA A 163 mSER~A 65 33.93 6.39 85.44 34.47 6.00 84.69 34.59 7.57 87.51 34.35 7.75 88.68 34.29 6.23 86.85 35.49 5.30 87.02 2 0 7.62-999 ?-999 ?-999 ? NA NA A 163 mGLU~A 66 35.11 8.51 86.73 35.16 8.26 85.77 34.50 10.89 87.16 34.64 11.93 87.80 35.56 9.77 87.25 36.85 10.16 86.53 2 0 -5.09-999 ?-999 ?-999 ? NA NA A 163s mASN~A 67 33.42 10.64 86.42 33.37 9.72 86.04 31.00 11.23 86.56 30.06 11.91 86.21 32.41 11.67 86.22 32.48 12.14 84.77 2 0 -5.99-999 ?-999 ?-999 ? NA NA A 163s mILE~A 68 30.84 10.11 87.24 31.68 9.70 87.62 28.55 10.50 88.17 27.39 10.66 87.78 29.50 9.55 87.40 29.53 8.10 88.00 3 0 5.53-999 ?-999 ?-999 ? I IOD A 154 mPHE~A 69 29.04 11.17 89.21 30.00 10.97 89.42 27.66 13.22 89.03 26.48 13.55 89.11 28.21 12.11 89.94 28.95 12.72 91.14 3 0 4.56-999 ?-999 ?-999 ? I IOD A 154 mSER~A 70 28.49 13.78 88.16 29.42 13.40 88.17 27.13 14.38 86.18 26.13 15.01 85.88 28.05 14.86 87.28 29.24 15.52 86.61 2 0 8.35-999 ?-999 ?-999 ? I IOD A 154 mPHE~A 71 27.50 13.27 85.54 28.38 12.90 85.84 25.28 12.36 85.05 24.28 12.72 84.45 26.68 12.67 84.50 27.34 11.39 83.95 3 0 9.21-999 ?-999 ?-999 ? I IOD A 154 mGLN~A 72 25.22 11.73 86.21 26.11 11.52 86.61 23.11 12.62 87.10 21.90 12.61 86.92 23.94 11.37 86.82 24.16 10.60 88.12 2 0 7.58-999 ?-999 ?-999 ? I IOD A 154 mLYS~A 73 23.76 13.69 87.54 24.73 13.55 87.72 22.54 15.53 86.44 21.35 15.84 86.34 23.08 14.97 87.75 24.00 15.98 88.41 2 0 9.46-999 ?-999 ?-999 ? I IOD A 154 mLYS~A 74 23.41 15.68 85.44 24.34 15.40 85.67 21.81 15.48 83.56 20.90 16.09 83.02 23.02 16.22 84.13 24.17 16.14 83.14 2 0 11.75-999 ?-999 ?-999 ? I IOD A 157 mILE~A 75 21.81 14.16 83.69 22.66 13.78 84.07 19.43 13.76 84.14 18.46 14.26 83.60 20.66 13.35 83.32 21.01 11.86 83.50 3 0 8.74-999 ?-999 ?-999 ? I IOD A 157 mGLU~A 76 19.49 13.56 85.46 20.32 13.08 85.75 17.71 15.24 85.91 16.47 15.26 85.82 18.44 13.98 86.39 19.05 14.24 87.79 2 0 9.16-999 ?-999 ?-999 ? I IOD A 157 mGLU~A 77 18.47 16.27 85.58 19.45 16.06 85.55 17.47 17.83 83.83 16.71 18.76 83.56 17.91 17.60 85.29 18.92 18.69 85.67 2 0 9.32-999 ?-999 ?-999 ? I IOD A 157 mGLN~A 78 17.95 17.01 82.90 18.59 16.31 83.24 16.15 16.58 81.33 15.29 17.22 80.71 17.55 17.15 81.52 18.53 16.48 80.57 2 0 6.85-999 ?-999 ?-999 ? I IOD A 157 mGLN~A 79 15.93 15.39 81.89 16.75 14.96 82.27 13.59 15.80 82.42 12.61 16.07 81.74 14.61 14.79 81.92 14.58 13.56 82.82 2 0 3.88-999 ?-999 ?-999 ? I IOD A 157 mLEU~A 80 13.83 16.35 83.62 14.66 16.02 84.06 12.70 18.53 83.27 11.57 18.95 83.03 12.92 17.35 84.21 13.43 17.85 85.57 3 0 6.95-999 ?-999 ?-999 ? I IOD A 157 mLYS~A 81 13.81 19.04 82.73 14.65 18.56 82.99 13.01 19.92 80.57 12.62 20.85 79.84 13.80 20.20 81.85 15.24 20.61 81.54 2 0 8.12-999 ?-999 ?-999 ? I IOD A 157 mASN~A 82 12.75 18.63 80.31 13.26 17.98 80.88 10.39 18.35 79.85 9.84 17.39 80.41 11.81 18.22 79.27 12.10 16.79 78.79 2 0 -5.77-999 ?-999 ?-999 ? I IOD A 157s mGLN.A 83 9.83 19.56 79.74 10.42 20.23 79.29 7.77 20.83 79.27 7.22 21.86 79.68 8.48 19.88 80.24 8.54 20.51 81.64 2 0 8.67-999 ?-999 ?-999 ? I IOD A 157 mLEU.A 84 7.76 20.45 78.00 8.10 19.52 77.86 5.79 21.39 76.74 5.05 20.59 77.33 7.30 21.31 76.90 7.90 20.84 75.57 3 0 10.68-999 ?-999 ?-999 ? I IOD A 157 mGLU.A 85 5.35 22.37 75.93 6.10 22.90 75.53 3.60 22.35 74.17 2.65 21.61 73.86 3.94 22.65 75.64 3.64 24.13 75.92 2 0 14.00-999 ?-999 ?-999 ? I IOD A 157 mILE.A 86 4.35 23.00 73.27 4.99 23.64 73.70 5.71 22.63 71.34 6.59 22.41 72.17 4.26 22.81 71.81 3.60 24.05 71.09 3 0 15.33-999 ?-999 ?-999 ? I IOD A 157 mGLN.A 87 5.97 22.70 70.03 5.16 22.78 69.45 7.57 23.29 68.16 8.10 22.66 67.23 7.36 22.65 69.54 7.90 21.21 69.54 2 0 15.02-999 ?-999 ?-999 ? I IOD A 157 mTHR.A 88 7.19 24.57 68.05 6.76 24.93 68.88 8.49 26.41 67.06 9.68 26.05 67.22 7.38 25.36 66.84 6.04 26.04 66.44 2 0 18.46-999 ?-999 ?-999 ? I IOD A 155 mLYS.A 97 9.85 8.61 83.99 9.35 9.27 83.44 11.56 6.81 83.95 11.25 5.69 83.54 10.59 7.64 84.80 9.60 6.72 85.54 2 0 7.90-999 ?-999 ?-999 ? I IOD A 157 mILE.A 98 12.73 7.39 83.68 12.81 8.32 84.03 14.24 5.45 83.69 14.35 5.47 84.92 13.79 6.70 82.93 14.99 7.66 82.73 3 0 7.04-999 ?-999 ?-999 ? I IOD A 157 mASP~A 99 14.48 4.35 82.97 14.37 4.46 81.98 16.40 3.00 83.77 17.12 3.86 83.27 14.87 3.09 83.64 14.25 1.87 82.93 2 0 10.66-999 ?-999 ?-999 ? I IOD A 157 mLEU~A 100 16.89 1.99 84.48 16.20 1.34 84.81 19.13 1.35 83.54 20.30 1.67 83.42 18.32 1.86 84.72 18.59 0.99 85.94 3 0 13.20-999 ?-999 ?-999 ? I IOD A 157 mLEU~A 101 18.55 0.51 82.70 17.63 0.20 82.97 19.33 1.31 80.56 20.39 1.55 80.01 19.23 0.11 81.48 18.50 -1.04 80.78 3 0 13.49-999 ?-999 ?-999 ? CL CL A 160 mTHR~A 102 18.26 2.07 80.41 17.46 1.76 80.93 19.24 4.28 80.11 19.91 4.97 79.36 18.28 3.26 79.55 16.89 3.91 79.42 2 0 10.72-999 ?-999 ?-999 ? I IOD A 157 mTHR~A 103 19.33 4.36 81.44 18.67 3.79 81.93 21.74 4.73 81.74 22.59 5.53 81.41 20.32 5.22 82.08 20.12 5.27 83.64 2 0 10.78-999 ?-999 ?-999 ? I IOD A 157 mALA~A 104 21.98 3.42 81.80 21.17 2.87 82.02 23.75 3.15 80.12 24.92 3.41 79.86 23.31 2.87 81.55 23.32 1.35 81.84 2 0 13.14-999 ?-999 ?-999 ? I IOD A 154 mVAL~A 105 22.79 3.08 79.20 21.91 2.76 79.55 23.38 4.92 77.67 24.30 5.27 76.93 23.02 3.43 77.81 21.79 3.15 76.93 3 0 13.16-999 ?-999 ?-999 ? CL CL A 160 mVAL~A 106 22.66 5.80 78.36 21.93 5.39 78.92 24.31 7.56 78.95 25.07 8.34 78.42 22.94 7.23 78.29 21.84 8.10 78.94 3 0 11.30-999 ?-999 ?-999 ? I IOD A 157 mLEU~A 107 24.61 6.97 80.09 23.89 6.37 80.46 27.07 6.73 79.88 28.17 7.28 79.97 25.91 7.22 80.73 25.97 6.55 82.10 3 0 12.06-999 ?-999 ?-999 ? I IOD A 154 mCYH~A 108 26.85 5.71 79.06 25.92 5.35 79.07 28.26 6.21 77.14 29.43 6.46 76.86 27.93 5.20 78.22 27.58 3.82 77.63 2 0 12.37-999 ?-999 ?-999 ? I IOD A 156 mALA~A 109 27.22 6.81 76.56 26.34 6.49 76.91 28.08 9.09 76.00 28.90 9.66 75.27 27.34 7.83 75.51 25.94 8.20 75.00 2 0 12.83-999 ?-999 ?-999 ? I IOD A 156 mLEU~A 110 27.72 9.52 77.21 26.95 9.02 77.60 29.85 10.28 78.15 30.74 11.11 77.97 28.39 10.62 77.89 27.73 10.90 79.24 3 0 10.66-999 ?-999 ?-999 ? NA NA A 163 mSER~A 111 30.08 9.05 78.61 29.26 8.48 78.68 32.27 8.53 77.72 33.45 8.86 77.77 31.42 8.60 78.96 31.37 7.22 79.63 2 0 7.92-999 ?-999 ?-999 ? I IOD A 156 mGLU~A 112 31.66 8.14 76.60 30.67 8.00 76.68 32.70 9.24 74.69 33.77 9.41 74.11 32.38 7.93 75.36 31.61 7.02 74.39 2 0 8.52-999 ?-999 ?-999 ? I IOD A 156 mGLN~A 113 31.77 10.18 74.73 30.91 9.93 75.18 33.18 12.13 74.89 34.00 12.83 74.31 32.05 11.46 74.13 30.83 12.36 74.12 2 0 9.30-999 ?-999 ?-999 ? I IOD A 156 mLYS~A 114 33.21 11.91 76.20 32.45 11.35 76.53 35.62 11.80 76.76 36.62 12.48 76.64 34.26 12.45 77.06 33.88 12.21 78.54 2 0 6.12-999 ?-999 ?-999 ? I IOD A 156 mALA~A 115 35.66 10.48 76.64 34.76 10.04 76.67 37.49 9.88 75.03 38.68 10.09 74.80 36.94 9.78 76.46 36.75 8.33 76.83 2 0 4.24-999 ?-999 ?-999 ? I IOD A 156 mHIS~A 116 36.60 9.73 74.06 35.65 9.74 74.38 36.49 10.68 71.74 36.88 10.73 70.59 36.98 9.57 72.67 36.47 8.24 72.19 3 0 7.74-999 ?-999 ?-999 ? I IOD A 152 mASN~A 117 35.62 11.56 72.24 35.34 11.36 73.18 34.35 12.25 70.24 34.35 12.91 69.21 35.14 12.70 71.47 36.31 13.63 71.08 2 0 9.81-999 ?-999 ?-999 ? I IOD A 156 mTHR.A 118 33.67 11.11 70.36 33.77 10.66 71.25 31.81 11.63 68.93 31.30 12.28 69.82 32.86 10.59 69.29 32.17 9.31 69.75 2 0 11.83-999 ?-999 ?-999 ? I IOD A 155 mASP~A 119 31.46 11.79 67.64 31.90 11.17 67.00 29.06 12.42 67.67 28.72 11.25 67.77 30.48 12.81 67.28 30.54 13.17 65.79 2 0 8.51-999 ?-999 ?-999 ? I IOD A 155 mLYS~A 120 28.23 13.44 67.89 28.65 14.33 67.75 26.00 12.29 67.46 25.33 11.42 68.01 26.85 13.25 68.32 26.16 14.60 68.44 2 0 -5.40-999 ?-999 ?-999 ? I IOD A 155s mPRO~A 121 25.99 12.44 66.13 26.58 13.16 65.78 25.48 10.08 65.46 24.58 9.26 65.60 25.14 11.57 65.30 25.41 12.06 63.87 3 0 4.13-999 ?-999 ?-999 ? I IOD A 155 mLEU~A 122 26.77 9.76 65.48 27.40 10.53 65.38 26.79 7.80 66.99 26.33 6.66 67.05 27.21 8.37 65.64 28.74 8.22 65.46 3 0 7.89-999 ?-999 ?-999 ? I IOD A 155 mLEU~A 123 26.94 8.59 68.06 27.32 9.49 67.83 25.11 7.89 69.56 24.72 6.86 70.12 26.60 8.19 69.43 27.00 9.30 70.43 3 0 8.52-999 ?-999 ?-999 ? I IOD A 155 mILE~A 124 24.28 8.78 69.04 24.72 9.57 68.62 22.41 7.35 68.32 21.71 6.50 68.86 22.84 8.59 69.11 22.06 9.87 68.65 3 0 6.86-999 ?-999 ?-999 ? I IOD A 155 mSER~A 125 22.82 7.22 67.07 23.43 7.94 66.74 22.77 4.80 67.02 21.95 3.92 67.27 22.36 6.07 66.29 22.94 6.07 64.89 2 0 8.49-999 ?-999 ?-999 ? I IOD A 155 mGLU~A 126 24.03 4.76 67.43 24.58 5.56 67.19 23.74 3.34 69.42 23.50 2.21 69.76 24.55 3.62 68.16 26.01 3.84 68.55 2 0 11.41-999 ?-999 ?-999 ? I IOD A 155 mALA~A 127 23.34 4.38 70.13 23.57 5.26 69.72 21.26 3.56 71.13 20.80 2.72 71.91 22.61 4.21 71.38 22.41 5.56 72.06 2 0 11.78-999 ?-999 ?-999 ? I IOD A 155 mLEU~A 128 20.63 3.98 70.04 21.15 4.65 69.50 19.40 2.08 69.19 18.48 1.28 69.38 19.30 3.51 69.68 18.69 4.41 68.59 3 0 12.09-999 ?-999 ?-999 ? I IOD A 155 mLEU~A 129 20.54 1.77 68.58 21.15 2.55 68.46 21.01 -0.52 69.32 20.62 -1.68 69.25 20.84 0.43 68.14 22.13 0.45 67.29 3 0 11.55-999 ?-999 ?-999 ? CL CL A 159 mILE~A 130 21.58 -0.02 70.42 21.89 0.93 70.33 20.39 -0.98 72.38 20.10 -2.02 72.96 21.74 -0.80 71.65 22.77 -0.13 72.56 3 0 9.45-999 ?-999 ?-999 ? CL CL A 159 mMET~A 131 19.55 0.05 72.32 19.92 0.86 71.87 17.40 -1.14 72.18 16.68 -1.90 72.82 18.21 -0.05 72.90 17.51 1.31 72.81 2 0 12.36-999 ?-999 ?-999 ? CL CL A 159 mASP~A 132 17.53 -1.23 70.86 18.10 -0.51 70.46 17.42 -3.66 70.48 16.66 -4.63 70.56 16.89 -2.29 70.08 17.16 -2.09 68.59 2 0 12.09-999 ?-999 ?-999 ? CL CL A 159 mHIS~A 133 18.73 -3.73 70.71 19.22 -2.86 70.58 18.81 -5.51 72.40 18.68 -6.72 72.55 19.40 -4.96 71.10 20.91 -4.74 71.25 3 0 8.51-999 ?-999 ?-999 ? CL CL A 159 mTYR~A 134 18.45 -4.61 73.31 18.63 -3.66 73.03 16.33 -4.89 74.53 15.65 -4.87 75.57 17.86 -4.97 74.60 18.40 -4.04 75.69 3 0 10.28-999 ?-999 ?-999 ? CL CL A 159 mSER.A 135 15.80 -4.88 73.31 16.47 -4.98 72.58 13.71 -3.88 74.13 12.77 -4.31 74.80 14.37 -4.73 73.06 13.69 -6.09 72.99 2 0 13.33-999 ?-999 ?-999 ? CL CL A 159 mGLN.A 136 14.23 -2.67 74.30 15.02 -2.47 73.72 12.51 -1.03 74.55 11.37 -1.02 75.07 13.67 -1.73 75.25 14.74 -0.76 75.74 2 0 14.85-999 ?-999 ?-999 ? I IOD A 157 mGLY.A 137 12.77 -0.51 73.35 13.71 -0.62 73.04 11.25 1.39 73.36 10.07 1.75 73.32 11.73 0.17 72.59-999.99-999.99-999.99 1 0 14.10-999 ?-999 ?-999 ? I IOD A 157 mALA.A 138 12.19 1.99 74.11 13.05 1.49 74.15 12.97 4.26 74.18 13.39 5.22 74.83 11.97 3.27 74.79 12.18 3.12 76.30 2 0 10.34-999 ?-999 ?-999 ? I IOD A 157 mGLU.A 139 13.35 3.96 72.94 13.02 3.06 72.65 13.80 6.30 72.17 14.66 7.16 72.04 14.16 4.81 72.07 13.99 4.36 70.59 2 0 10.57-999 ?-999 ?-999 ? I IOD A 157 mLYS.A 140 12.51 6.60 72.39 11.92 5.80 72.48 12.82 8.84 73.46 12.79 10.06 73.40 12.04 7.99 72.47 10.55 8.04 72.82 2 0 8.16-999 ?-999 ?-999 ? I IOD A 157 mLYS.A 141 13.53 8.20 74.38 13.36 7.21 74.43 15.84 8.70 74.56 16.67 7.89 75.00 14.47 8.91 75.22 14.40 8.43 76.67 2 0 5.56-999 ?-999 ?-999 ? I IOD A 157 mGLN.A 142 15.98 9.43 73.44 15.11 9.83 73.14 18.36 9.80 73.68 18.13 9.91 74.88 17.22 9.64 72.71 17.07 10.90 71.81 2 0 8.23-999 ?-999 ?-999 ? I IOD A 157 mTHR.A 143 19.60 9.84 73.19 19.68 9.64 72.21 20.73 11.65 74.19 21.74 12.31 73.94 20.72 10.16 74.08 22.05 9.78 73.54 2 0 9.53-999 ?-999 ?-999 ? I IOD A 157 mHIS.A 144 19.58 12.19 74.52 18.84 11.54 74.73 20.35 14.26 73.53 21.59 14.23 73.61 19.43 13.59 74.57 19.60 13.99 76.03 3 0 7.94-999 ?-999 ?-999 ? I IOD A 157 mALA.A 145 19.68 14.77 72.49 18.73 14.47 72.42 20.68 16.90 72.34 21.49 17.71 71.90 20.28 15.69 71.52 19.25 16.08 70.42 2 0 6.25-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 146 20.11 16.99 73.55 19.41 16.29 73.72 21.73 17.74 75.36 22.46 18.68 75.67 20.46 18.03 74.52 19.27 18.32 75.44 3 0 9.64-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 147 22.00 16.48 75.71 21.37 15.79 75.34 24.50 16.04 75.89 25.52 16.27 76.53 23.15 16.17 76.58 22.89 14.91 77.45 3 0 11.01-999 ?-999 ?-999 ? I IOD A 155 mASP.A 148 24.53 15.67 74.61 23.63 15.51 74.21 26.06 16.80 73.10 25.12 17.53 72.76 25.79 15.52 73.87 25.72 14.36 72.86 2 0 8.92-999 ?-999 ?-999 ? I IOD A 155 mLYS.A 149 27.33 17.04 72.79 27.96 16.39 73.21 27.92 17.66 70.46 28.52 16.60 70.21 27.76 18.15 71.92 29.11 18.72 72.41 2 0 9.02-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 150 27.36 18.41 69.51 26.74 19.11 69.85 28.87 19.05 67.85 28.87 20.21 68.26 27.65 18.18 68.09 26.47 18.61 67.19 3 0 6.90-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 151 29.89 18.50 67.20 29.66 17.61 66.78 31.18 20.39 66.23 31.57 20.40 65.06 31.21 19.13 67.10 32.27 18.14 66.58 3 0 10.13-999 ?-999 ?-999 ? I IOD A 155