HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-APR-07 2YXH COMPND MAZG-RELATED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS (DE3)-RIL-X; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-21A AUTHOR B.PADMANABHAN,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 57 8 HET MSE B 57 8 HET MG A 501 1 HET MG A 502 1 HET MG B 503 1 HET MG B 504 1 SITE 1 AC1 6 GLU A 34 ASP A 60 HOH A 569 HOH A 607 SITE 1 AC2 6 GLU A 34 GLU A 37 GLU A 53 ASP A 56 SITE 1 AC3 6 GLU B 34 ASP B 60 HOH B 507 HOH B 523 SITE 1 AC4 6 GLU B 34 GLU B 37 GLU B 53 ASP B 56 mMETA 1 52.61 23.83 54.94 52.29 23.15 55.59 53.84 24.28 52.72 55.03 23.94 52.79 53.09 24.88 53.94 53.96 25.86 54.68 2 0 17.89-999 ?-999 ?-999 ? MG MG A 502 mVAL.A 2 53.10 24.15 51.63 52.21 24.60 51.72 54.77 23.98 49.70 55.56 23.25 49.13 53.51 23.44 50.41 52.35 23.52 49.40 3 0 16.94-999 ?-999 ?-999 ? MG MG A 501 mGLU.A 3 54.88 25.30 49.70 54.11 25.77 50.12 57.22 25.57 49.94 58.21 25.19 49.33 55.99 26.01 49.15 55.72 27.52 49.29 2 0 18.95-999 ?-999 ?-999 ? MG MG A 501 mARG.A 4 57.15 25.59 51.27 56.27 25.91 51.62 58.77 23.77 51.77 59.91 23.47 51.94 58.26 25.17 52.11 57.85 25.14 53.60 2 0 17.45-999 ?-999 ?-999 ? MG MG A 501 mLEU.A 5 57.86 22.93 51.31 56.95 23.34 51.23 58.77 21.53 49.57 59.70 20.80 49.32 58.14 21.55 50.96 56.85 20.74 50.94 3 0 13.97-999 ?-999 ?-999 ? MG MG A 501 mLEU.A 6 58.27 22.33 48.66 57.49 22.88 48.94 60.30 22.97 47.34 61.10 22.68 46.48 58.90 22.36 47.35 58.00 23.08 46.37 3 0 15.65-999 ?-999 ?-999 ? MG MG A 501 mGLU.A 7 60.54 23.86 48.31 59.76 24.04 48.91 62.74 23.44 49.02 63.91 23.35 48.59 61.83 24.51 48.49 61.76 25.70 49.48 2 0 17.49-999 ?-999 ?-999 ? MG MG A 501 mILE.A 8 62.19 22.63 49.92 61.25 22.84 50.18 63.40 20.54 49.36 64.60 20.21 49.23 62.95 21.51 50.45 62.21 20.82 51.58 3 0 14.39-999 ?-999 ?-999 ? MG MG A 501 mILE.A 9 62.45 20.14 48.56 61.53 20.47 48.79 63.72 20.05 46.55 64.70 19.46 46.16 62.70 19.30 47.44 61.38 19.02 46.66 3 0 13.20-999 ?-999 ?-999 ? MG MG A 501 mGLU.A 10 63.57 21.37 46.29 62.77 21.81 46.68 66.03 21.88 46.04 67.04 21.58 45.32 64.63 22.01 45.42 64.36 23.46 44.98 2 0 16.93-999 ?-999 ?-999 ? MG MG A 501 mARG.A 11 66.10 22.07 47.36 65.22 22.22 47.82 67.97 20.65 47.96 69.16 20.50 47.86 67.38 22.06 48.05 67.22 22.42 49.53 2 0 17.07-999 ?-999 ?-999 ? MG MG A 501 mSER.A 12 67.12 19.66 47.98 66.17 19.95 48.09 68.19 17.89 46.47 69.10 17.07 46.34 67.62 18.25 47.85 66.45 17.33 48.09 2 0 14.24-999 ?-999 ?-999 ? MG MG A 501 mLEU.A 13 67.57 18.44 45.42 66.77 18.99 45.65 69.46 18.83 44.01 70.37 18.20 43.46 68.07 18.23 44.07 67.14 18.90 43.04 3 0 16.23-999 ?-999 ?-999 ? MG MG A 501 mARG.A 14 69.60 20.01 44.63 68.82 20.34 45.15 71.94 20.29 45.40 73.10 20.58 45.08 70.82 20.74 44.53 70.58 22.19 44.74 2 0 19.21-999 ?-999 ?-999 ? MG MG A 501 mLYS.A 15 71.64 19.57 46.49 70.73 19.16 46.52 72.80 18.07 48.08 73.86 17.71 48.56 72.65 19.45 47.53 72.32 20.34 48.72 2 0 18.45-999 ?-999 ?-999 ? MG MG A 501 mCYH~A 16 71.72 17.33 48.08 70.95 17.75 47.61 72.38 14.80 48.04 71.93 14.29 47.00 71.70 16.01 48.72 70.26 15.68 49.10 2 0 15.37-999 ?-999 ?-999 ? MG MG A 501 mPRO~A 17 73.44 14.27 48.68 73.65 14.70 49.56 73.45 11.76 48.14 73.71 10.88 47.35 74.19 13.14 48.07 75.51 13.14 48.89 3 0 16.45-999 ?-999 ?-999 ? MG MG A 501 mTRP~A 18 72.53 11.61 49.08 72.46 12.35 49.74 70.70 10.52 47.95 70.50 9.49 47.23 71.68 10.46 49.14 70.96 10.38 50.52 3 0 13.11-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 19 70.10 11.71 47.72 70.45 12.47 48.26 69.61 11.50 45.32 69.01 10.69 44.54 69.03 11.81 46.71 68.25 13.14 46.77 3 0 12.16-999 ?-999 ?-999 ? MG MG A 501 mGLU~A 20 70.83 12.03 45.09 71.16 12.55 45.87 71.70 10.36 43.42 71.62 10.00 42.20 71.61 11.85 43.81 73.00 12.45 43.96 2 0 15.78-999 ?-999 ?-999 ? MG MG A 501 mLYS~A 21 71.86 9.50 44.44 71.88 9.91 45.35 70.68 7.35 44.08 70.72 6.15 43.76 71.99 8.10 44.24 72.86 7.45 45.33 2 0 15.31-999 ?-999 ?-999 ? MG MG A 501 mGLN.A 22 69.54 8.00 44.33 69.68 8.95 44.61 67.62 7.38 42.75 67.62 8.40 42.06 68.20 7.35 44.19 67.15 7.90 45.21 2 0 12.44-999 ?-999 ?-999 ? MG MG A 501 mSER~A 23 67.11 6.26 42.29 67.24 5.47 42.89 64.93 6.40 41.26 64.43 6.17 42.36 66.43 6.23 41.00 66.67 4.90 40.29 2 0 13.99-999 ?-999 ?-999 ? MG MG A 501 mILE~A 24 64.21 6.80 40.23 64.76 7.01 39.42 62.09 5.66 40.77 61.19 5.67 41.60 62.75 6.93 40.30 62.17 7.52 38.96 3 0 13.17-999 ?-999 ?-999 ? MG MG A 501 mGLU~A 25 62.58 4.55 40.27 63.22 4.70 39.52 62.31 3.09 42.27 61.39 2.66 42.94 62.22 3.22 40.77 63.12 2.17 40.13 2 0 13.36-999 ?-999 ?-999 ? MG MG A 501 mTHR~A 26 63.43 3.50 42.80 64.09 3.88 42.16 62.65 4.29 44.97 62.11 3.94 46.03 63.64 3.37 44.22 65.11 3.77 44.59 2 0 10.70-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 27 62.46 5.48 44.41 62.96 5.66 43.56 60.12 5.96 44.95 59.33 6.16 45.91 61.58 6.41 45.02 61.81 7.77 44.39 3 0 8.39-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 28 59.79 5.34 43.82 60.51 5.32 43.13 58.14 3.79 44.75 57.02 3.82 45.29 58.47 4.76 43.65 58.31 4.12 42.29 3 0 9.89-999 ?-999 ?-999 ? MG MG A 501 mGLU~A 29 59.09 2.91 45.07 59.87 2.99 44.45 58.96 2.65 47.55 58.17 2.31 48.37 59.01 1.94 46.22 60.27 1.05 46.29 2 0 8.97-999 ?-999 ?-999 ? MG MG A 501 mALA~A 30 59.78 3.68 47.76 60.46 3.84 47.04 58.18 4.97 49.13 57.56 4.86 50.18 59.63 4.47 49.00 60.63 5.56 49.09 2 0 5.21-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 31 57.63 5.43 48.03 58.23 5.42 47.23 55.20 4.84 48.34 54.27 5.10 49.11 56.24 5.92 48.06 55.87 6.66 46.75 3 0 6.19-999 ?-999 ?-999 ? MG MG A 501 mALA~A 32 55.38 3.63 47.78 56.18 3.56 47.19 54.58 2.17 49.46 53.58 1.81 50.10 54.45 2.53 48.01 54.72 1.33 47.10 2 0 8.81-999 ?-999 ?-999 ? MG MG A 501 mSER~A 33 55.77 2.34 50.03 56.50 2.64 49.40 55.14 3.00 52.35 54.54 2.52 53.31 55.95 2.10 51.46 57.41 2.21 51.90 2 0 6.85-999 ?-999 ?-999 ? MG MG A 501 mGLU~A 34 55.16 4.35 52.07 55.66 4.66 51.27 52.97 5.05 52.86 52.27 5.36 53.79 54.46 5.25 52.95 54.68 6.74 52.58 2 0 5.12-999 ?-999 ?-999 ? MG MG A 502s mILE~A 35 52.50 4.72 51.67 53.18 4.77 50.93 50.76 3.23 52.49 49.68 3.24 53.06 51.13 4.32 51.46 50.98 3.64 50.06 3 0 8.31-999 ?-999 ?-999 ? MG MG A 502 mGLU~A 36 51.65 2.29 52.73 52.49 2.34 52.18 51.35 1.85 55.15 50.53 1.46 55.98 51.36 1.28 53.74 52.34 0.12 53.66 2 0 8.66-999 ?-999 ?-999 ? MG MG A 502 mGLU~A 37 52.21 2.84 55.43 52.85 3.10 54.71 50.85 4.15 56.91 50.31 4.19 57.99 52.15 3.44 56.73 53.36 4.29 57.02 2 0 -5.82-999 ?-999 ?-999 ? MG MG A 502s mVAL~A 38 50.27 4.65 55.82 50.73 4.44 54.96 47.88 4.46 56.24 47.07 4.63 57.19 49.05 5.46 55.95 48.78 6.29 54.65 3 0 7.59-999 ?-999 ?-999 ? MG MG A 502 mALA~A 39 47.82 3.42 55.44 48.49 3.44 54.69 46.91 1.82 57.06 45.91 1.75 57.73 46.85 2.34 55.63 47.10 1.30 54.67 2 0 10.85-999 ?-999 ?-999 ? MG MG A 502 mGLU~A 40 48.08 1.53 57.60 48.87 1.62 56.99 47.56 2.20 59.95 46.81 1.93 60.86 48.12 1.12 59.01 49.57 0.70 59.36 2 0 10.53-999 ?-999 ?-999 ? MG MG A 502 mALA~A 41 47.89 3.45 59.73 48.44 3.61 58.91 45.90 4.61 60.64 45.23 4.77 61.65 47.43 4.46 60.71 48.13 5.72 60.51 2 0 10.00-999 ?-999 ?-999 ? MG MG A 502 mVAL~A 42 45.35 4.53 59.45 46.01 4.47 58.70 43.28 3.34 60.11 42.44 3.49 60.98 43.89 4.53 59.32 43.48 4.47 57.83 3 0 12.91-999 ?-999 ?-999 ? MG MG A 502 mLYS~A 43 43.79 2.15 59.82 44.43 2.14 59.04 43.36 1.20 62.10 42.39 0.84 62.71 43.42 0.98 60.60 44.35 -0.19 60.28 2 0 14.82-999 ?-999 ?-999 ? MG MG A 502 mLYS~A 44 44.35 1.84 62.69 45.09 2.13 62.08 43.57 3.32 64.57 43.63 3.66 65.73 44.32 2.08 64.12 45.74 2.16 64.68 2 0 14.86-999 ?-999 ?-999 ? MG MG A 502 mASN.A 45 42.90 4.04 63.67 42.76 3.58 62.80 43.49 6.16 64.84 43.22 6.77 65.86 42.45 5.42 64.04 41.09 5.38 64.80 2 0 15.56-999 ?-999 ?-999 ? MG MG A 502 mASP~A 46 44.75 6.05 64.40 44.84 5.47 63.59 46.10 8.09 64.42 46.82 8.19 63.42 45.87 6.75 65.09 47.19 5.94 65.11 2 0 13.08-999 ?-999 ?-999 ? MG MG A 502 mLEU~A 47 45.50 9.10 64.99 45.17 8.95 65.92 46.68 11.10 64.12 46.93 11.75 63.05 45.35 10.31 64.28 44.28 11.15 64.96 3 0 13.30-999 ?-999 ?-999 ? MG MG A 502 mALA~A 48 47.50 11.10 65.19 47.11 10.63 65.99 49.74 11.06 64.15 50.50 11.72 63.45 48.84 11.75 65.17 49.51 11.68 66.50 2 0 11.69-999 ?-999 ?-999 ? MG MG A 502 mASN~A 49 49.63 9.72 64.04 48.95 9.27 64.63 49.88 9.20 61.72 50.62 9.32 60.77 50.46 9.00 63.11 50.54 7.51 63.44 2 0 8.43-999 ?-999 ?-999 ? MG MG A 502 mLEU~A 50 48.54 9.27 61.60 48.03 9.21 62.46 48.48 10.76 59.71 48.86 10.82 58.54 47.93 9.41 60.27 46.39 9.32 60.29 3 0 9.07-999 ?-999 ?-999 ? MG MG A 502 mGLU~A 51 48.58 11.76 60.59 48.34 11.56 61.54 50.48 13.06 59.72 50.81 13.60 58.70 48.99 13.05 60.15 48.78 14.07 61.24 2 0 9.58-999 ?-999 ?-999 ? MG MG A 502 mGLU~A 52 51.35 12.45 60.49 51.03 12.24 61.41 52.72 11.43 58.69 53.42 11.88 57.84 52.64 12.13 60.05 53.40 11.36 61.12 2 0 6.50-999 ?-999 ?-999 ? MG MG A 502 mGLU~A 53 52.13 10.24 58.52 51.60 9.87 59.28 51.67 10.36 56.07 52.16 10.22 54.94 52.26 9.57 57.29 51.60 8.20 57.45 2 0 -4.46-999 ?-999 ?-999 ? MG MG A 502s mILE~A 54 50.55 11.04 56.27 50.13 10.93 57.17 51.20 12.82 54.66 51.52 12.92 53.47 50.05 11.90 55.15 48.78 12.68 55.54 3 0 7.82-999 ?-999 ?-999 ? MG MG A 502 mGLY~A 55 51.87 13.47 55.63 51.57 13.34 56.57 54.10 13.51 54.53 54.57 13.89 53.44 52.98 14.30 55.22-999.99-999.99-999.99 1 0 7.74-999 ?-999 ?-999 ? MG MG A 502 mASP~A 56 54.54 12.41 55.15 54.14 12.24 56.06 55.16 11.20 53.10 55.98 11.13 52.22 55.53 11.54 54.52 55.60 10.26 55.31 2 0 -4.82-999 ?-999 ?-999 ? MG MG A 502s mMETA 57 53.89 10.90 52.90 53.31 11.07 53.69 53.47 11.45 50.57 53.86 11.17 49.45 53.38 10.39 51.66 51.90 9.99 51.88 2 0 6.74-999 ?-999 ?-999 ? MG MG A 501 mILE~A 58 53.06 12.67 50.90 52.75 12.78 51.84 54.56 14.15 49.56 54.89 14.31 48.36 53.10 13.73 49.93 52.32 14.94 50.41 3 0 9.23-999 ?-999 ?-999 ? MG MG A 501 mTYR~A 59 55.42 14.27 50.57 55.01 14.25 51.48 57.40 13.35 49.36 58.13 13.66 48.39 56.84 14.42 50.33 57.53 14.37 51.66 3 0 7.62-999 ?-999 ?-999 ? MG MG A 501 mASP~A 60 57.11 12.10 49.65 56.53 11.94 50.45 57.13 11.08 47.40 57.88 10.83 46.48 57.65 11.07 48.81 57.40 9.73 49.45 2 0 -5.63-999 ?-999 ?-999 ? MG MG A 501s mALA~A 61 55.85 11.37 47.20 55.30 11.47 48.03 56.06 12.70 45.18 56.40 12.69 43.99 55.32 11.53 45.86 53.90 11.88 45.93 2 0 9.07-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 62 56.25 13.76 45.94 55.91 13.69 46.88 58.36 14.60 45.04 58.82 15.04 44.00 56.91 14.90 45.35 56.75 16.10 46.26 3 0 10.76-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 63 59.03 13.74 45.83 58.57 13.45 46.67 60.33 12.41 44.17 61.26 12.39 43.40 60.36 13.29 45.44 61.07 12.51 46.48 3 0 9.41-999 ?-999 ?-999 ? MG MG A 501 mVAL~A 64 59.24 11.72 43.92 58.54 11.74 44.63 59.05 12.09 41.51 59.82 12.12 40.54 59.18 10.99 42.62 58.08 9.91 42.58 3 0 10.88-999 ?-999 ?-999 ? MG MG A 501 mALA~A 65 58.13 13.02 41.67 57.52 12.92 42.45 59.49 14.67 40.46 59.93 14.77 39.29 58.10 14.11 40.72 57.12 15.23 41.13 2 0 13.90-999 ?-999 ?-999 ? MG MG A 501 mALA~A 66 60.20 15.06 41.50 59.71 14.94 42.36 62.58 14.87 40.47 63.36 15.47 39.68 61.58 15.63 41.34 62.22 15.96 42.72 2 0 14.23-999 ?-999 ?-999 ? MG MG A 501 mVAL~A 67 62.57 13.53 40.59 61.86 13.11 41.16 63.06 12.47 38.50 63.88 12.22 37.61 63.55 12.77 39.92 63.83 11.42 40.67 3 0 14.60-999 ?-999 ?-999 ? MG MG A 501 mALA~A 68 61.73 12.47 38.31 61.21 12.46 39.16 61.63 13.73 36.21 61.94 13.65 35.03 61.12 12.47 36.97 59.65 12.47 37.04 2 0 15.04-999 ?-999 ?-999 ? MG MG B 504 mGLN~A 69 61.72 14.88 36.88 61.35 14.86 37.80 63.85 15.85 36.07 64.39 16.18 35.03 62.34 16.05 36.26 62.13 17.30 37.11 2 0 17.66-999 ?-999 ?-999 ? MG MG B 504 mARG~A 70 64.53 15.34 37.09 63.97 15.07 37.87 66.44 14.32 35.90 67.33 14.68 35.09 65.97 15.20 37.07 66.43 14.51 38.37 2 0 18.76-999 ?-999 ?-999 ? MG MG A 501 mASP~A 71 65.87 13.14 35.90 65.15 13.03 36.58 65.52 12.09 33.63 66.04 11.53 32.70 66.25 12.10 34.99 66.12 10.74 35.66 2 0 19.72-999 ?-999 ?-999 ? MG MG B 504 mTYR~A 72 64.28 12.55 33.56 63.99 13.05 34.37 63.00 13.69 31.81 62.29 13.75 30.82 63.45 12.32 32.38 62.30 11.38 32.62 3 0 17.35-999 ?-999 ?-999 ? MG MG B 504 mGLY~A 73 63.43 14.75 32.47 64.00 14.48 33.24 61.65 16.53 32.31 61.21 17.61 31.90 63.12 16.16 32.15-999.99-999.99-999.99 1 0 18.64-999 ?-999 ?-999 ? MG MG B 504 mILE.A 74 60.88 15.72 33.03 61.35 14.90 33.35 59.26 17.38 34.09 59.69 17.50 35.23 59.46 16.06 33.28 58.69 14.93 34.03 3 0 15.38-999 ?-999 ?-999 ? MG MG B 504 mASP~A 75 58.53 18.31 33.54 58.18 18.08 32.64 57.02 19.33 35.11 56.04 18.89 34.58 58.27 19.57 34.25 57.97 20.58 33.17 2 0 16.79-999 ?-999 ?-999 ? MG MG B 504 mLEU~A 76 57.05 19.69 36.39 57.88 20.19 36.66 54.79 20.27 37.04 53.67 19.78 37.08 55.97 19.39 37.32 56.39 19.59 38.79 3 0 15.32-999 ?-999 ?-999 ? MG MG B 504 mGLU~A 77 55.00 21.57 36.77 55.94 21.90 36.88 53.29 21.83 35.07 52.11 21.65 34.98 53.89 22.40 36.35 54.26 23.89 36.23 2 0 16.83-999 ?-999 ?-999 ? MG MG B 504 mSER~A 78 54.06 21.47 34.08 55.05 21.63 34.14 52.54 19.65 33.42 51.43 19.45 32.91 53.35 20.85 33.00 54.27 20.44 31.88 2 0 15.35-999 ?-999 ?-999 ? MG MG B 504 mALA~A 79 53.11 18.78 34.29 53.95 19.12 34.71 51.23 17.72 35.32 50.22 17.06 35.08 52.51 17.46 34.58 53.45 16.59 35.38 2 0 11.77-999 ?-999 ?-999 ? MG MG B 504 mILE~A 80 51.29 18.70 36.21 52.21 19.07 36.32 49.11 19.82 36.02 47.95 19.50 36.16 50.12 19.18 36.94 50.44 20.10 38.16 3 0 12.64-999 ?-999 ?-999 ? MG MG B 504 mGLN~A 81 49.50 20.73 35.12 50.48 20.91 35.08 47.79 20.36 33.35 46.60 20.45 33.04 48.44 21.37 34.27 48.85 22.70 33.52 2 0 14.48-999 ?-999 ?-999 ? MG MG B 504 mLYS~A 82 48.50 19.30 33.04 49.45 19.26 33.35 46.77 17.55 33.09 45.74 17.24 32.52 47.90 18.29 32.30 48.95 17.33 31.88 2 0 11.73-999 ?-999 ?-999 ? MG MG B 504 mVAL~A 83 47.01 17.18 34.37 47.85 17.55 34.76 44.86 17.22 35.40 43.74 16.78 35.42 46.07 16.30 35.09 46.69 15.68 36.42 3 0 9.39-999 ?-999 ?-999 ? MG MG B 504 mVAL~A 84 45.10 18.51 35.61 46.06 18.80 35.66 43.12 19.51 34.47 41.90 19.65 34.58 44.04 19.40 35.74 44.58 20.77 36.08 3 0 12.83-999 ?-999 ?-999 ? MG MG B 504 mGLU~A 85 43.74 19.48 33.30 44.73 19.49 33.32 42.11 18.20 32.09 40.97 18.25 31.69 42.95 19.44 32.09 43.84 19.26 30.88 2 0 13.56-999 ?-999 ?-999 ? MG MG B 504 mLYS~A 86 42.72 17.08 32.48 43.64 17.19 32.85 40.81 15.81 33.27 39.68 15.75 32.83 42.03 15.80 32.34 42.99 14.67 32.67 2 0 10.66-999 ?-999 ?-999 ? MG MG B 504 mILE~A 87 41.04 15.96 34.56 42.02 15.99 34.78 38.86 16.99 35.13 37.71 16.62 35.25 39.98 16.07 35.54 40.58 16.56 36.95 3 0 10.75-999 ?-999 ?-999 ? MG MG B 503 mSER~A 88 39.21 18.22 34.70 40.20 18.36 34.59 37.40 18.84 33.25 36.19 19.06 33.17 38.22 19.26 34.41 38.86 20.65 34.08 2 0 14.55-999 ?-999 ?-999 ? MG MG B 503 mHIS~A 89 38.07 18.18 32.33 39.05 18.08 32.44 36.43 16.51 31.67 35.23 16.59 31.35 37.35 17.67 31.26 38.28 17.29 30.15 3 0 15.10-999 ?-999 ?-999 ? MG MG B 504 mARG~A 90 36.96 15.45 32.31 37.95 15.47 32.40 35.01 14.63 33.83 33.95 13.95 33.83 36.14 14.36 32.83 36.99 13.19 33.35 2 0 12.78-999 ?-999 ?-999 ? MG MG B 503 mLYS~A 91 35.20 15.61 34.69 35.99 16.19 34.51 33.83 17.17 35.67 34.17 17.97 36.49 34.28 15.78 35.79 34.99 15.53 37.13 2 0 13.69-999 ?-999 ?-999 ? MG MG B 503 mPRO~A 92 33.10 17.52 34.59 32.81 16.78 33.98 31.90 19.56 35.49 31.84 20.80 35.68 32.78 18.99 34.44 31.97 19.05 33.10 3 0 17.25-999 ?-999 ?-999 ? MG MG B 503 mTRP~A 93 31.13 18.66 36.11 31.21 17.73 35.76 30.96 19.82 38.41 30.31 20.48 39.19 30.24 19.10 37.24 29.45 17.94 37.79 3 0 18.51-999 ?-999 ?-999 ? MG MG B 503 mLEU~A 94 32.30 19.72 38.47 32.69 19.14 37.75 32.98 21.89 39.37 33.26 22.66 40.31 33.11 20.39 39.50 34.59 19.96 39.37 3 0 17.27-999 ?-999 ?-999 ? MG MG B 503 mPHE~A 95 32.56 22.33 38.20 32.30 21.60 37.56 31.09 24.22 37.70 30.87 25.26 37.09 32.51 23.77 37.91 33.35 24.03 36.67 3 0 20.42-999 ?-999 ?-999 ? MG MG B 503 mTRP~A 96 30.13 23.43 38.17 30.48 22.63 38.66 28.07 23.89 39.40 28.26 23.05 40.29 28.70 23.68 38.01 28.01 22.48 37.38 3 0 22.71-999 ?-999 ?-999 ? MG MG B 503 mGLU.A 97 27.26 24.95 39.55 27.21 25.49 38.70 25.74 24.13 41.45 26.10 23.60 42.52 26.52 25.30 40.82 25.56 26.48 40.58 2 0 25.35-999 ?-999 ?-999 ? MG MG B 503 mGLU.A 98 24.66 23.72 40.79 24.47 24.21 39.94 24.66 21.40 41.33 25.40 21.11 40.39 23.84 22.65 41.30 22.61 22.43 40.40 2 0 25.60-999 ?-999 ?-999 ? MG MG B 503 mLYS.A 99 24.54 20.66 42.43 23.99 21.07 43.15 24.40 18.45 41.57 23.30 18.82 41.13 25.18 19.34 42.53 25.17 18.78 43.98 2 0 22.72-999 ?-999 ?-999 ? MG MG B 503 mILE.A 100 24.97 17.28 41.26 25.87 17.13 41.68 24.50 14.97 41.04 25.36 14.75 41.95 24.35 16.33 40.38 25.00 16.35 38.92 3 0 21.79-999 ?-999 ?-999 ? MG MG B 503 mSER~A 101 23.63 14.07 40.65 23.04 14.39 39.91 24.72 11.85 40.83 25.25 12.03 39.75 23.56 12.73 41.28 22.27 12.04 40.86 2 0 21.33-999 ?-999 ?-999 ? MG MG B 503 mLEU~A 102 25.04 10.82 41.61 24.50 10.73 42.45 25.84 9.46 39.83 26.81 9.39 38.99 26.10 9.93 41.26 26.17 8.73 42.24 3 0 18.25-999 ?-999 ?-999 ? MG MG B 503 mGLU~A 103 24.55 9.13 39.54 23.89 9.34 40.26 24.39 9.50 37.05 24.93 9.20 35.97 24.20 8.49 38.22 22.77 7.93 38.17 2 0 19.96-999 ?-999 ?-999 ? MG MG B 503 mGLU~A 104 23.96 10.72 37.30 23.49 10.88 38.17 25.75 11.82 36.04 26.20 11.65 34.88 24.20 11.71 36.33 23.53 13.02 36.81 2 0 20.67-999 ?-999 ?-999 ? MG MG B 503 mALA~A 105 26.54 12.06 37.12 26.02 12.19 37.96 28.64 10.99 36.37 29.52 11.19 35.49 28.01 12.15 37.10 28.58 12.20 38.56 2 0 17.03-999 ?-999 ?-999 ? MG MG B 503 mGLU~A 106 28.20 9.77 36.67 27.49 9.67 37.36 28.55 8.69 34.43 29.44 8.42 33.63 28.85 8.69 35.94 28.54 7.35 36.50 2 0 15.74-999 ?-999 ?-999 ? MG MG B 503 mLYS~A 107 27.30 8.97 34.05 26.69 9.21 34.80 27.78 9.92 31.94 28.34 9.60 30.88 26.90 8.93 32.65 25.44 9.33 32.52 2 0 18.63-999 ?-999 ?-999 ? MG MG B 503 mILE~A 108 27.99 11.10 32.54 27.49 11.28 33.39 30.30 11.43 31.81 30.93 11.41 30.75 28.91 12.03 31.93 28.98 13.31 32.72 3 0 17.73-999 ?-999 ?-999 ? MG MG B 503 mTRP~A 109 30.74 10.83 32.90 30.08 10.67 33.63 32.37 9.31 31.98 33.44 9.26 31.33 32.09 10.44 32.97 32.43 10.07 34.41 3 0 14.13-999 ?-999 ?-999 ? MG MG B 503 mLYS~A 110 31.41 8.41 31.84 30.61 8.55 32.42 31.87 7.94 29.52 32.70 7.40 28.79 31.55 7.32 30.93 30.26 6.52 30.95 2 0 15.26-999 ?-999 ?-999 ? MG MG B 503 mGLU~A 111 31.29 9.10 29.19 30.80 9.57 29.93 32.67 10.40 27.66 33.31 10.30 26.64 31.40 9.61 27.83 30.21 10.53 27.48 2 0 17.52-999 ?-999 ?-999 ? MG MG B 503 mARG~A 112 32.96 11.29 28.62 32.23 11.44 29.29 35.46 11.00 28.51 36.43 11.24 27.77 34.25 11.97 28.66 34.36 12.77 29.96 2 0 15.42-999 ?-999 ?-999 ? MG MG B 504 mLYS~A 113 35.37 9.86 29.17 34.49 9.65 29.61 37.12 8.84 27.80 38.32 8.86 27.66 36.54 9.02 29.18 36.29 7.71 29.91 2 0 12.50-999 ?-999 ?-999 ? MG MG B 504 mLYS~A 114 36.28 8.80 26.79 35.36 9.13 27.02 37.14 9.38 24.39 37.63 10.48 24.74 36.70 8.32 25.46 35.66 7.31 24.94 2 0 14.50-999 ?-999 ?-999 ? MG MG B 504 mVAL~B 2 49.85 24.12 40.51 49.78 24.46 39.57 48.73 23.96 42.80 48.39 23.23 43.76 49.95 23.61 41.91 51.21 24.12 42.52 3 0 17.75-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 3 48.11 25.09 42.49 48.39 25.47 41.61 45.80 25.40 42.66 44.83 25.11 43.33 47.11 25.73 43.32 47.34 27.27 43.35 2 0 19.30-999 ?-999 ?-999 ? MG MG B 503 mARG~B 4 45.77 25.45 41.34 46.62 25.73 40.90 44.22 23.64 40.92 43.07 23.24 40.80 44.56 25.10 40.63 44.61 25.39 39.11 2 0 18.11-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 5 45.23 22.85 41.33 46.13 23.28 41.43 44.31 21.30 42.98 43.34 20.58 43.14 44.98 21.45 41.60 46.28 20.65 41.54 3 0 14.59-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 6 44.81 22.01 43.97 45.66 22.49 43.75 42.69 22.66 45.23 41.85 22.34 46.01 44.10 22.03 45.28 44.95 22.73 46.33 3 0 16.02-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 7 42.43 23.55 44.28 43.20 23.75 43.67 40.20 23.11 43.60 39.05 23.00 44.01 41.11 24.15 44.16 41.12 25.27 43.14 2 0 17.95-999 ?-999 ?-999 ? MG MG B 503 mILE~B 8 40.71 22.45 42.56 41.56 22.86 42.21 39.68 20.28 43.08 38.51 19.92 43.18 40.08 21.26 41.98 40.99 20.60 40.92 3 0 14.96-999 ?-999 ?-999 ? MG MG B 503 mILE~B 9 40.65 19.88 43.90 41.55 20.28 43.73 39.26 19.47 45.90 38.31 18.78 46.32 40.34 18.91 44.96 41.59 18.49 45.77 3 0 13.52-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 10 39.35 20.76 46.19 40.08 21.29 45.75 37.07 21.22 46.44 36.04 20.98 47.10 38.38 21.29 47.12 38.67 22.77 47.42 2 0 17.06-999 ?-999 ?-999 ? MG MG B 503 mARG~B 11 37.03 21.49 45.12 37.92 21.70 44.70 35.15 20.04 44.51 33.97 19.85 44.56 35.71 21.44 44.42 35.86 21.80 42.92 2 0 17.32-999 ?-999 ?-999 ? MG MG B 503 mSER~B 12 36.03 19.06 44.46 36.98 19.35 44.38 34.92 17.40 45.93 33.86 16.84 46.06 35.52 17.65 44.52 36.66 16.70 44.31 2 0 14.46-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 13 35.60 17.84 46.98 36.49 18.24 46.75 33.65 18.37 48.41 32.74 17.80 48.95 35.01 17.73 48.35 35.95 18.23 49.46 3 0 16.48-999 ?-999 ?-999 ? MG MG B 503 mARG~B 14 33.51 19.56 47.79 34.32 19.94 47.35 31.09 19.60 46.97 29.93 19.62 47.43 32.24 20.22 47.78 32.44 21.68 47.37 2 0 19.48-999 ?-999 ?-999 ? MG MG B 503 mLYS~B 15 31.39 19.09 45.78 32.37 18.93 45.68 30.32 17.33 44.25 29.26 16.82 43.85 30.40 18.78 44.71 30.69 19.66 43.47 2 0 18.71-999 ?-999 ?-999 ? MG MG B 503 mCYH~B 16 31.46 16.66 44.27 32.20 17.08 44.80 30.94 14.24 44.28 31.43 13.78 45.36 31.58 15.41 43.57 33.03 15.10 43.23 2 0 15.52-999 ?-999 ?-999 ? MG MG B 503 mPRO~B 17 29.83 13.73 43.69 29.56 14.20 42.85 29.86 11.24 44.23 29.56 10.32 45.00 29.09 12.58 44.28 27.75 12.57 43.48 3 0 16.61-999 ?-999 ?-999 ? MG MG B 503 mTRP~B 18 30.86 11.10 43.35 30.97 11.89 42.74 32.67 9.94 44.52 32.85 8.95 45.27 31.71 9.89 43.32 32.53 9.83 42.03 3 0 13.18-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 19 33.30 11.10 44.69 33.00 11.84 44.08 33.67 11.02 47.12 34.31 10.50 47.96 34.33 11.25 45.71 35.10 12.65 45.57 3 0 12.20-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 20 32.42 11.48 47.32 32.06 12.02 46.56 31.66 9.70 48.93 31.79 9.34 50.09 31.63 11.22 48.54 30.19 11.70 48.26 2 0 15.83-999 ?-999 ?-999 ? MG MG B 503 mLYS~B 21 31.55 8.85 47.94 31.55 9.25 47.02 32.78 6.74 48.41 32.81 5.56 48.80 31.44 7.47 48.18 30.60 6.87 47.07 2 0 15.21-999 ?-999 ?-999 ? MG MG B 503 mGLN~B 22 33.90 7.44 48.15 33.72 8.38 47.86 35.78 6.95 49.73 35.66 7.98 50.38 35.26 6.84 48.30 36.27 7.47 47.35 2 0 12.32-999 ?-999 ?-999 ? MG MG B 503 mSER~B 23 36.39 5.87 50.19 36.38 5.09 49.57 38.51 5.97 51.19 38.99 5.84 50.05 37.02 5.81 51.46 36.76 4.44 52.04 2 0 13.77-999 ?-999 ?-999 ? MG MG B 503 mILE~B 24 39.27 6.23 52.24 38.80 6.17 53.12 41.37 5.34 51.70 42.30 5.40 50.92 40.65 6.58 52.13 41.21 7.25 53.48 3 0 12.92-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 25 40.86 4.19 52.15 40.11 4.30 52.80 41.26 2.74 50.19 42.15 2.36 49.51 41.39 2.89 51.68 40.60 1.77 52.34 2 0 12.97-999 ?-999 ?-999 ? MG MG B 503 mTHR~B 26 40.10 3.02 49.65 39.40 3.32 50.30 40.89 3.79 47.50 41.47 3.42 46.48 39.91 2.90 48.24 38.55 3.37 47.93 2 0 10.37-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 27 41.08 4.98 48.06 40.64 5.13 48.94 43.36 5.69 47.55 44.12 6.11 46.62 41.87 5.99 47.45 41.57 7.38 48.05 3 0 8.14-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 28 43.75 5.07 48.67 43.05 4.94 49.36 45.48 3.66 47.72 46.54 3.78 47.07 45.10 4.63 48.85 45.30 3.97 50.21 3 0 9.53-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 29 44.55 2.74 47.48 43.80 2.72 48.13 44.62 2.54 44.99 45.45 2.27 44.14 44.61 1.83 46.37 43.43 0.84 46.53 2 0 8.49-999 ?-999 ?-999 ? MG MG B 503 mALA~B 30 43.79 3.55 44.77 43.11 3.70 45.48 45.42 4.91 43.33 45.96 5.00 42.20 43.97 4.32 43.52 42.92 5.43 43.40 2 0 4.70-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 31 46.07 5.27 44.43 45.60 5.07 45.28 48.39 4.83 43.99 49.23 4.99 43.13 47.38 5.93 44.33 47.77 6.48 45.69 3 0 5.83-999 ?-999 ?-999 ? MG MG B 503 mALA~B 32 48.31 3.74 44.75 47.70 3.83 45.53 49.05 2.10 42.95 50.11 1.84 42.35 49.10 2.53 44.44 48.67 1.40 45.35 2 0 8.27-999 ?-999 ?-999 ? MG MG B 503 mSER~B 33 47.85 2.09 42.37 47.08 2.27 42.99 48.37 2.91 40.06 48.98 2.61 39.04 47.69 1.83 40.94 46.19 1.62 40.57 2 0 6.47-999 ?-999 ?-999 ? MG MG B 503 mGLU~B 34 48.28 4.19 40.44 47.75 4.38 41.27 50.49 5.01 39.65 51.20 5.19 38.68 49.00 5.18 39.57 48.73 6.65 39.89 2 0 4.92-999 ?-999 ?-999 ? MG MG B 504s mILE~B 35 50.97 4.72 40.85 50.29 4.70 41.59 52.80 3.35 40.01 53.94 3.38 39.49 52.37 4.47 41.02 52.63 3.93 42.45 3 0 8.07-999 ?-999 ?-999 ? MG MG B 504 mGLU~B 36 51.90 2.42 39.70 51.00 2.53 40.12 52.39 1.86 37.38 53.28 1.47 36.63 52.26 1.31 38.80 51.27 0.13 38.86 2 0 8.34-999 ?-999 ?-999 ? MG MG B 504 mGLU~B 37 51.55 2.86 37.08 50.96 3.19 37.81 52.72 4.22 35.58 53.22 4.35 34.45 51.52 3.39 35.78 50.26 4.18 35.56 2 0 -5.62-999 ?-999 ?-999 ? MG MG B 504s mVAL~B 38 53.21 4.83 36.66 52.67 4.73 37.50 55.58 4.56 36.31 56.36 4.78 35.40 54.46 5.57 36.58 54.79 6.47 37.84 3 0 7.48-999 ?-999 ?-999 ? MG MG B 504 mALA~B 39 55.65 3.48 37.08 54.88 3.34 37.71 56.83 2.12 35.49 57.89 2.08 34.84 56.78 2.59 36.95 56.68 1.45 37.94 2 0 10.65-999 ?-999 ?-999 ? MG MG B 504 mGLU~B 40 55.66 1.83 34.95 54.90 1.92 35.59 55.98 2.46 32.50 56.71 2.12 31.58 55.54 1.43 33.55 54.12 0.92 33.32 2 0 10.17-999 ?-999 ?-999 ? MG MG B 504 mALA~B 41 55.56 3.72 32.59 54.94 3.93 33.35 57.54 4.90 31.72 58.19 5.25 30.72 56.01 4.69 31.61 55.26 6.00 31.69 2 0 9.83-999 ?-999 ?-999 ? MG MG B 504 mVAL~B 42 58.10 4.70 32.91 57.45 4.53 33.65 60.24 3.59 32.29 61.16 3.86 31.52 59.57 4.75 33.08 60.00 4.76 34.58 3 0 12.76-999 ?-999 ?-999 ? MG MG B 504 mLYS~B 43 59.80 2.35 32.51 59.14 2.28 33.26 60.41 1.47 30.26 61.37 1.01 29.65 60.23 1.21 31.75 59.19 0.11 31.86 2 0 14.69-999 ?-999 ?-999 ? MG MG B 504 mLYS~B 44 59.49 2.22 29.69 58.90 2.70 30.33 59.81 3.68 27.83 59.54 4.09 26.74 59.36 2.33 28.28 57.88 2.06 27.92 2 0 14.80-999 ?-999 ?-999 ? MG MG B 504 mASN.B 45 60.54 4.38 28.68 60.75 3.88 29.52 59.94 6.46 27.56 60.27 7.06 26.54 60.98 5.76 28.38 62.37 5.83 27.70 2 0 15.47-999 ?-999 ?-999 ? MG MG B 504 mASP~B 46 58.69 6.35 28.00 58.58 5.78 28.81 57.34 8.30 28.08 56.71 8.33 29.15 57.56 7.01 27.35 56.32 6.11 27.41 2 0 13.08-999 ?-999 ?-999 ? MG MG B 504 mLEU~B 47 57.90 9.36 27.51 58.27 9.15 26.61 56.62 11.44 28.35 56.37 12.04 29.42 57.94 10.71 28.15 58.92 11.63 27.41 3 0 13.44-999 ?-999 ?-999 ? MG MG B 504 mALA~B 48 55.86 11.50 27.28 56.34 11.24 26.44 53.59 11.13 28.30 52.76 11.68 28.98 54.46 11.92 27.30 53.91 11.71 25.90 2 0 11.91-999 ?-999 ?-999 ? MG MG B 504 mASN~B 49 53.75 9.81 28.35 54.39 9.40 27.71 53.52 9.36 30.76 52.73 9.50 31.72 52.99 9.09 29.32 53.00 7.62 29.04 2 0 8.61-999 ?-999 ?-999 ? MG MG B 504 mLEU~B 50 54.84 9.53 30.91 55.39 9.48 30.07 54.81 11.10 32.81 54.38 11.21 33.97 55.38 9.77 32.24 56.94 9.70 32.25 3 0 9.17-999 ?-999 ?-999 ? MG MG B 504 mGLU~B 51 54.78 12.07 31.94 55.13 11.87 31.03 52.85 13.14 32.78 52.38 13.83 33.72 54.28 13.33 32.35 54.27 14.29 31.20 2 0 9.96-999 ?-999 ?-999 ? MG MG B 504 mGLU~B 52 52.15 12.21 32.09 52.65 11.72 31.38 50.57 11.46 33.80 49.96 12.13 34.60 50.73 11.98 32.39 50.05 10.99 31.45 2 0 6.79-999 ?-999 ?-999 ? MG MG B 504 mGLU~B 53 51.13 10.26 34.03 51.60 9.85 33.25 51.72 10.32 36.42 51.28 10.09 37.59 51.11 9.57 35.24 51.85 8.26 35.11 2 0 -4.68-999 ?-999 ?-999 ? MG MG B 504s mILE~B 54 52.81 11.07 36.17 53.21 11.03 35.25 52.14 12.74 37.82 51.85 12.71 38.98 53.30 11.88 37.29 54.53 12.69 36.94 3 0 8.05-999 ?-999 ?-999 ? MG MG B 504 mGLY~B 55 51.50 13.49 36.92 51.91 13.47 36.01 49.24 13.42 37.97 48.78 13.80 39.04 50.30 14.27 37.26-999.99-999.99-999.99 1 0 8.14-999 ?-999 ?-999 ? MG MG B 504 mASP~B 56 48.88 12.26 37.39 49.37 12.03 36.55 48.23 11.17 39.46 47.41 11.13 40.36 47.84 11.41 38.00 47.73 10.01 37.31 2 0 -5.20-999 ?-999 ?-999 ? MG MG B 504s mMETB 57 49.52 10.92 39.68 50.08 11.06 38.87 49.91 11.66 42.00 49.36 11.45 43.06 50.04 10.50 40.99 51.47 9.97 40.84 2 0 7.05-999 ?-999 ?-999 ? MG MG B 503 mILE~B 58 50.38 12.87 41.66 50.84 12.91 40.77 48.72 14.26 42.90 48.37 14.38 44.08 50.20 14.04 42.55 50.84 15.27 42.01 3 0 9.76-999 ?-999 ?-999 ? MG MG B 503 mTYR~B 59 47.84 14.24 41.91 48.24 14.14 40.99 45.90 13.24 43.13 45.25 13.49 44.15 46.42 14.35 42.20 45.71 14.31 40.87 3 0 8.11-999 ?-999 ?-999 ? MG MG B 503 mASP~B 60 46.13 12.00 42.77 46.65 11.85 41.93 46.21 11.05 45.02 45.46 10.94 45.94 45.63 10.99 43.62 45.95 9.64 43.03 2 0 -5.81-999 ?-999 ?-999 ? MG MG B 503s mALA~B 61 47.53 11.15 45.19 48.07 11.03 44.36 47.33 12.53 47.25 47.03 12.40 48.44 48.12 11.44 46.51 49.67 11.87 46.44 2 0 9.10-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 62 47.00 13.62 46.55 47.21 13.61 45.58 44.94 14.40 47.55 44.42 14.93 48.54 46.38 14.74 47.24 46.43 16.02 46.44 3 0 11.05-999 ?-999 ?-999 ? MG MG B 503 mLEU~B 63 44.32 13.54 46.74 44.82 13.27 45.92 42.95 12.16 48.41 42.01 12.16 49.16 42.95 13.08 47.14 42.24 12.36 46.07 3 0 9.68-999 ?-999 ?-999 ? MG MG B 503 mVAL~B 64 44.03 11.41 48.63 44.69 11.41 47.88 44.28 11.70 51.00 43.61 11.57 52.04 44.18 10.66 49.90 45.39 9.78 49.90 3 0 10.85-999 ?-999 ?-999 ? MG MG B 503 mALA~B 65 45.04 12.79 50.78 45.49 12.83 49.89 43.75 14.39 52.10 43.34 14.59 53.24 45.16 13.82 51.81 46.13 14.96 51.32 2 0 13.80-999 ?-999 ?-999 ? MG MG A 502 mALA~B 66 43.05 14.75 51.03 43.54 14.62 50.17 40.73 14.42 51.93 40.03 14.85 52.75 41.69 15.29 51.14 41.09 15.66 49.70 2 0 14.33-999 ?-999 ?-999 ? MG MG B 503 mVAL~B 67 40.71 13.11 51.70 41.29 12.75 50.97 40.35 12.12 53.99 39.57 11.95 54.92 39.83 12.34 52.53 39.49 11.00 51.82 3 0 14.54-999 ?-999 ?-999 ? MG MG B 503 mALA~B 68 41.67 12.13 54.20 42.19 12.13 53.35 41.68 13.35 56.38 41.33 13.30 57.59 42.27 12.15 55.60 43.80 12.34 55.52 2 0 14.79-999 ?-999 ?-999 ? MG MG A 502 mGLN~B 69 41.57 14.44 55.64 41.93 14.38 54.71 39.43 15.41 56.46 38.90 15.69 57.53 40.94 15.63 56.25 41.09 16.77 55.30 2 0 17.33-999 ?-999 ?-999 ? MG MG A 502 mARG~B 70 38.77 14.90 55.41 39.34 14.60 54.65 36.87 13.85 56.52 35.93 14.16 57.31 37.33 14.80 55.41 36.87 14.29 54.03 2 0 18.80-999 ?-999 ?-999 ? MG MG B 503 mASP~B 71 37.53 12.67 56.56 38.34 12.63 55.98 37.79 11.56 58.76 37.20 11.31 59.75 37.08 11.56 57.41 37.22 10.21 56.70 2 0 19.58-999 ?-999 ?-999 ? MG MG A 502 mTYR~B 72 39.07 11.93 58.82 39.45 12.28 57.96 40.26 13.20 60.52 40.96 13.33 61.54 39.84 11.83 60.02 41.02 10.88 59.89 3 0 17.19-999 ?-999 ?-999 ? MG MG A 502 mGLY~B 73 39.77 14.24 59.90 39.21 14.06 59.09 41.54 16.10 60.22 41.88 17.25 60.64 40.12 15.55 60.48-999.99-999.99-999.99 1 0 18.30-999 ?-999 ?-999 ? MG MG A 502 mILE.B 74 42.33 15.44 59.38 41.91 14.70 58.85 43.88 17.09 58.43 43.52 17.14 57.26 43.72 15.79 59.28 44.50 14.73 58.56 3 0 15.13-999 ?-999 ?-999 ? MG MG A 502 mASP~B 75 44.59 18.02 59.01 44.92 17.74 59.91 46.13 19.21 57.41 47.17 18.86 57.85 44.86 19.33 58.36 45.09 20.26 59.56 2 0 16.42-999 ?-999 ?-999 ? MG MG A 502 mLEU~B 76 46.02 19.44 56.10 45.10 19.69 55.79 48.28 20.26 55.54 49.46 19.90 55.41 47.16 19.33 55.23 46.78 19.57 53.79 3 0 14.99-999 ?-999 ?-999 ? MG MG A 502 mGLU~B 77 47.97 21.49 55.90 47.01 21.76 55.85 49.90 21.79 57.58 51.12 21.79 57.58 49.08 22.33 56.32 48.64 23.80 56.45 2 0 16.43-999 ?-999 ?-999 ? MG MG A 502 mSER~B 78 49.24 21.33 58.62 48.25 21.45 58.58 50.68 19.42 59.32 51.74 19.09 59.88 49.98 20.70 59.73 49.07 20.31 60.89 2 0 14.78-999 ?-999 ?-999 ? MG MG A 502 mALA~B 79 50.09 18.70 58.38 49.25 19.09 58.01 52.06 17.77 57.20 53.09 17.16 57.41 50.71 17.42 57.97 49.71 16.57 57.07 2 0 11.34-999 ?-999 ?-999 ? MG MG A 502 mILE~B 80 52.00 18.78 56.34 51.10 19.22 56.29 54.17 19.76 56.49 55.34 19.58 56.31 53.15 19.19 55.55 52.78 20.28 54.48 3 0 12.14-999 ?-999 ?-999 ? MG MG A 502 mGLN~B 81 53.70 20.48 57.51 52.71 20.60 57.55 55.30 19.96 59.31 56.52 20.07 59.53 54.61 21.02 58.48 53.86 21.92 59.37 2 0 13.63-999 ?-999 ?-999 ? MG MG A 502 mLYS~B 82 54.62 18.88 59.71 53.64 18.91 59.51 56.46 17.34 59.52 57.54 17.09 60.01 55.29 17.77 60.40 54.35 16.56 60.65 2 0 10.76-999 ?-999 ?-999 ? MG MG A 502 mVAL~B 83 56.27 17.28 58.18 55.46 17.73 57.82 58.36 17.57 57.05 59.47 17.23 57.03 57.24 16.58 57.35 56.60 15.82 56.11 3 0 9.07-999 ?-999 ?-999 ? MG MG A 502 mVAL~B 84 58.07 18.83 56.78 57.10 19.05 56.64 60.03 19.77 57.99 61.26 19.73 57.85 59.12 19.80 56.72 58.49 21.18 56.39 3 0 12.57-999 ?-999 ?-999 ? MG MG A 501 mGLU~B 85 59.47 19.71 59.19 58.47 19.70 59.17 61.12 18.36 60.49 62.32 18.34 60.87 60.30 19.66 60.42 59.48 19.78 61.71 2 0 13.17-999 ?-999 ?-999 ? MG MG A 502 mLYS~B 86 60.49 17.30 60.05 59.56 17.43 59.70 62.44 16.03 59.20 63.54 15.72 59.62 61.18 16.04 60.12 60.19 14.91 59.78 2 0 10.25-999 ?-999 ?-999 ? MG MG A 502 mILE~B 87 62.24 16.42 57.96 61.30 16.68 57.75 64.38 17.46 57.44 65.57 17.20 57.33 63.29 16.46 56.99 62.69 16.88 55.59 3 0 10.29-999 ?-999 ?-999 ? MG MG A 501 mSER~B 88 63.96 18.63 57.91 62.96 18.74 57.98 65.74 19.08 59.44 66.97 19.19 59.43 64.91 19.66 58.30 64.13 20.94 58.69 2 0 14.10-999 ?-999 ?-999 ? MG MG A 501 mHIS~B 89 65.11 18.36 60.37 64.11 18.30 60.29 66.80 16.58 60.97 67.94 16.54 61.38 65.87 17.71 61.42 64.94 17.19 62.51 3 0 14.50-999 ?-999 ?-999 ? MG MG A 501 mARG~B 90 66.32 15.68 60.10 65.38 15.83 59.81 68.21 14.90 58.60 69.21 14.21 58.58 67.14 14.58 59.63 66.27 13.43 59.12 2 0 12.21-999 ?-999 ?-999 ? MG MG A 501 mLYS~B 91 68.04 15.95 57.79 67.24 16.51 58.02 69.32 17.75 56.86 69.03 18.55 56.04 68.92 16.28 56.69 68.17 16.12 55.37 2 0 13.24-999 ?-999 ?-999 ? MG MG A 501 mPRO~B 92 70.03 18.07 57.93 70.29 17.31 58.53 71.21 20.03 57.03 71.27 21.25 56.85 70.36 19.48 58.15 71.18 19.49 59.45 3 0 16.79-999 ?-999 ?-999 ? MG MG A 501 mTRP~B 93 71.94 19.16 56.35 71.85 18.22 56.66 72.07 20.33 54.09 72.70 21.05 53.30 72.80 19.60 55.25 73.62 18.44 54.68 3 0 17.96-999 ?-999 ?-999 ? MG MG A 501 mLEU~B 94 70.74 20.24 54.05 70.31 19.69 54.77 70.01 22.44 53.21 69.69 23.15 52.25 70.00 20.91 53.03 68.57 20.44 53.05 3 0 16.84-999 ?-999 ?-999 ? MG MG A 501 mPHE~B 95 70.32 22.89 54.43 70.49 22.16 55.09 71.80 24.73 55.07 71.99 25.76 55.68 70.40 24.32 54.75 69.52 24.62 55.93 3 0 19.90-999 ?-999 ?-999 ? MG MG A 501 mTRP~B 96 72.79 23.93 54.67 72.49 23.07 54.24 74.73 24.70 53.53 74.41 24.06 52.53 74.19 24.31 54.85 74.99 23.16 55.36 3 0 22.22-999 ?-999 ?-999 ? MG MG A 501 mGLU.B 97 75.58 25.74 53.49 75.76 26.18 54.37 76.96 25.08 51.40 76.70 24.82 50.22 76.18 26.13 52.17 77.04 27.36 52.26 2 0 24.84-999 ?-999 ?-999 ? MG MG A 501 mGLU.B 98 77.94 24.48 52.06 77.98 24.64 53.05 78.29 22.28 51.31 77.57 21.88 52.22 78.87 23.67 51.36 80.22 23.67 52.09 2 0 25.14-999 ?-999 ?-999 ? MG MG A 501 mLYS.B 99 78.60 21.54 50.24 79.22 21.99 49.59 78.82 19.25 51.00 79.92 19.60 51.51 78.06 20.19 50.08 78.13 19.69 48.64 2 0 22.56-999 ?-999 ?-999 ? MG MG A 501 mILE.B 100 78.23 18.05 51.19 77.38 17.90 50.70 78.72 15.76 51.42 77.89 15.55 50.53 78.83 17.08 52.08 78.18 17.04 53.52 3 0 21.51-999 ?-999 ?-999 ? MG MG A 501 mSER~B 101 79.57 14.85 51.83 80.17 15.14 52.58 78.48 12.59 51.63 77.91 12.70 52.72 79.58 13.52 51.19 80.90 12.88 51.44 2 0 21.02-999 ?-999 ?-999 ? MG MG A 501 mLEU~B 102 78.24 11.56 50.81 78.79 11.50 49.97 77.55 10.10 52.53 76.61 9.94 53.34 77.26 10.61 51.13 77.24 9.44 50.14 3 0 18.13-999 ?-999 ?-999 ? MG MG A 501 mGLU~B 103 78.82 9.87 52.81 79.45 10.22 52.11 78.97 10.07 55.23 78.52 9.61 56.34 79.25 9.17 54.01 80.72 8.80 53.91 2 0 19.88-999 ?-999 ?-999 ? MG MG A 501 mGLU~B 104 79.24 11.36 55.01 79.62 11.57 54.10 77.47 12.44 56.29 77.05 12.36 57.46 78.99 12.37 56.00 79.60 13.73 55.52 2 0 20.30-999 ?-999 ?-999 ? MG MG A 501 mALA~B 105 76.68 12.57 55.22 77.18 12.53 54.36 74.58 11.60 56.06 73.67 11.78 56.87 75.21 12.77 55.29 74.61 12.84 53.92 2 0 16.69-999 ?-999 ?-999 ? MG MG A 501 mGLU~B 106 75.08 10.41 55.79 75.85 10.41 55.15 74.84 9.10 57.85 74.07 8.57 58.61 74.49 9.22 56.44 75.03 7.96 55.85 2 0 15.50-999 ?-999 ?-999 ? MG MG A 501 mLYS~B 107 76.05 9.49 58.19 76.63 9.83 57.45 75.48 10.31 60.34 75.00 9.94 61.41 76.43 9.39 59.60 77.86 9.79 59.87 2 0 18.28-999 ?-999 ?-999 ? MG MG A 501 mILE~B 108 75.20 11.49 59.78 75.60 11.67 58.88 72.94 11.91 60.59 72.30 11.95 61.66 74.35 12.41 60.47 74.28 13.76 59.67 3 0 17.29-999 ?-999 ?-999 ? MG MG A 501 mTRP~B 109 72.45 11.43 59.47 73.11 11.37 58.72 70.77 9.93 60.41 69.72 9.86 61.07 71.05 11.02 59.38 70.80 10.40 58.02 3 0 13.62-999 ?-999 ?-999 ? MG MG A 501 mLYS~B 110 71.74 9.04 60.48 72.49 9.23 59.85 71.45 8.43 62.82 70.51 8.01 63.55 71.67 7.88 61.40 72.96 7.13 61.33 2 0 14.82-999 ?-999 ?-999 ? MG MG A 501 mGLU~B 111 72.23 9.43 63.20 72.90 9.79 62.55 70.73 10.66 64.71 70.07 10.65 65.79 72.04 9.89 64.54 73.25 10.68 65.04 2 0 17.20-999 ?-999 ?-999 ? MG MG A 501 mARG~B 112 70.35 11.40 63.67 70.90 11.27 62.84 67.91 11.48 63.95 66.93 11.86 64.61 69.17 12.31 63.85 69.08 13.23 62.66 2 0 15.24-999 ?-999 ?-999 ? MG MG A 501 mLYS~B 113 67.95 10.31 63.30 68.80 10.16 62.80 66.49 8.87 64.69 65.33 8.51 64.91 66.85 9.35 63.33 67.19 8.11 62.53 2 0 12.41-999 ?-999 ?-999 ? MG MG A 502 mLYS~B 114 67.49 8.81 65.57 68.39 9.02 65.20 66.29 9.46 67.71 65.63 9.06 68.66 67.26 8.47 66.96 68.61 8.35 67.66 2 0 14.78-999 ?-999 ?-999 ? MG MG A 502 mLYS.B 115 66.18 10.72 67.28 66.60 10.90 66.39 63.94 11.63 68.04 63.37 11.12 67.06 65.48 11.74 68.09 65.98 13.21 67.81 2 0 14.91-999 ?-999 ?-999 ? MG MG A 502