HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-OCT-02 1IZM COMPND HYPOTHETICAL PROTEIN HI0817; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; SOURCE 3 ORGANISM_TAXID: 727; SOURCE 4 GENE: HI0817; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET100 AUTHOR A.GALKIN,E.SARIKAYA,C.LEHMANN,A.HOWARD,O.HERZBERG,STRUCTURE AUTHOR 2 2 FUNCTION PROJECT (S2F) HET MSE A 8 8 HET MSE A 164 8 mLEU.A 2 30.82 40.35 115.52 31.74 40.17 115.19 28.52 39.37 116.21 28.40 38.56 115.30 29.40 40.63 116.02 28.67 41.59 115.07 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 3 27.90 39.23 117.37 28.08 39.95 118.05 25.84 38.19 116.66 25.52 39.27 116.11 27.03 38.10 117.60 26.57 37.99 119.09 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 4 25.19 37.06 116.46 25.54 36.30 117.00 22.85 37.51 116.12 22.79 37.81 117.31 24.09 36.92 115.53 23.84 35.43 115.21 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 5 21.84 37.65 115.28 22.02 37.33 114.35 19.93 37.31 116.75 19.45 37.76 117.78 20.58 38.21 115.71 19.65 38.37 114.49 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 6 19.91 36.01 116.48 20.34 35.73 115.62 19.98 35.15 118.78 19.35 35.10 119.82 19.27 35.10 117.43 19.28 33.68 116.85 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 7 21.31 35.30 118.74 21.66 35.37 117.81 21.82 36.59 120.77 21.60 36.54 121.99 22.17 35.34 119.94 23.62 35.40 119.47 2 0 1000.00-999 ?-999 ?-999 ? mMETA 8 21.74 37.72 120.08 21.91 37.64 119.10 20.00 38.80 121.35 19.75 39.13 122.51 21.41 38.96 120.77 21.49 40.12 119.78 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 9 19.06 38.26 120.55 19.35 37.98 119.64 17.74 37.38 122.39 17.07 37.74 123.37 17.71 38.13 121.09 16.78 37.38 120.15 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 10 18.55 36.34 122.44 19.13 36.15 121.65 19.17 36.22 124.85 18.64 36.13 125.98 18.51 35.57 123.65 19.00 34.15 123.39 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 11 20.28 36.94 124.63 20.61 36.95 123.69 20.02 38.74 126.23 19.90 38.93 127.43 20.92 37.64 125.74 22.31 38.21 125.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 12 19.38 39.49 125.33 19.55 39.28 124.37 17.33 39.92 126.66 16.96 40.43 127.72 18.48 40.52 125.83 17.90 41.34 124.67 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 13 16.78 38.82 126.17 17.20 38.49 125.32 16.04 37.64 128.23 15.38 37.85 129.22 15.63 38.19 126.87 15.04 37.08 125.98 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 14 17.15 36.97 128.32 17.66 36.86 127.46 17.87 37.58 130.67 17.79 37.35 131.90 17.54 36.47 129.64 18.71 35.53 129.47 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 15 18.23 38.79 130.20 18.27 38.86 129.20 17.28 40.70 131.38 17.34 41.75 132.03 18.54 39.90 131.12 19.60 40.81 130.52 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 16 16.14 40.23 130.86 16.22 39.38 130.34 14.80 42.33 130.46 14.05 43.17 130.92 14.89 40.94 131.07-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE.A 17 15.56 42.60 129.40 16.14 41.83 129.11 14.24 44.13 127.98 13.69 43.21 127.41 15.55 43.91 128.73 16.71 44.01 127.69 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 18 13.74 45.37 127.99 14.28 46.04 128.49 12.54 45.62 125.76 11.49 45.73 125.14 12.50 45.67 127.29-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE.A 19 13.72 45.50 125.14 14.51 45.46 125.75 14.27 44.07 123.22 15.06 43.44 123.93 13.81 45.45 123.66 14.92 46.35 123.11 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 20 13.82 43.63 122.05 13.10 44.19 121.63 15.52 42.97 120.55 15.78 44.20 120.54 14.37 42.40 121.48 13.33 41.61 120.68 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 21 16.18 42.14 119.78 15.85 41.19 119.81 16.93 43.60 117.83 17.68 44.53 117.54 17.31 42.62 118.97 18.06 41.45 118.38 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 22 15.77 43.39 117.22 15.24 42.61 117.55 15.09 45.64 116.73 15.53 46.66 116.16 15.33 44.24 116.15 14.03 43.68 115.47 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 23 14.36 45.70 117.83 14.05 44.81 118.16 15.37 47.67 118.92 15.48 48.88 118.81 14.06 46.97 118.49 13.19 46.75 119.73 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 24 16.30 46.91 119.45 16.05 45.95 119.55 18.23 48.18 118.57 18.62 49.36 118.59 17.60 47.53 119.84 18.55 46.48 120.41 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 25 18.37 47.42 117.50 18.10 46.47 117.63 18.15 49.22 115.79 18.78 50.21 115.43 18.88 47.94 116.24 18.78 46.93 115.10 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 26 16.80 49.23 115.83 16.31 48.41 116.13 16.42 51.69 116.28 16.60 52.80 115.72 16.17 50.46 115.43-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE~A 27 16.37 51.51 117.60 16.19 50.57 117.88 18.00 53.17 118.32 18.17 54.40 118.18 16.59 52.61 118.53 16.48 52.10 120.02 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 28 18.99 52.31 118.33 18.71 51.35 118.47 20.55 53.44 116.76 21.18 54.49 116.66 20.37 52.82 118.14 21.42 51.74 118.38 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 29 19.98 52.85 115.71 19.49 52.00 115.89 19.42 54.84 114.41 19.89 55.75 113.77 20.11 53.49 114.39 19.46 52.65 113.28 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 30 18.30 54.95 115.14 18.03 54.11 115.61 18.37 57.34 115.89 18.38 58.48 115.37 17.55 56.21 115.21-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 31 19.03 57.02 117.01 18.87 56.09 117.34 21.08 58.38 116.74 21.42 59.60 116.60 19.90 57.97 117.68 20.49 57.35 118.97 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 32 21.71 57.41 116.09 21.38 56.48 116.27 22.37 58.62 113.95 23.00 59.62 113.57 22.83 57.78 115.19 23.60 56.51 114.79 3 0 1000.00-999 ?-999 ?-999 ? mCYH~A 33 21.20 58.27 113.38 20.71 57.51 113.81 20.26 60.39 112.56 20.18 61.23 111.68 20.74 59.00 112.21 19.66 58.23 111.42 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 34 19.99 60.62 113.86 20.11 59.85 114.48 20.79 62.72 114.67 20.65 63.85 115.15 19.55 61.92 114.29-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 35 21.97 62.14 114.46 21.92 61.21 114.09 23.84 62.76 116.14 24.75 63.53 116.42 23.23 62.83 114.74-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 36 23.39 61.86 117.02 22.64 61.30 116.67 25.48 61.38 118.27 25.87 60.46 117.54 23.99 61.76 118.38 23.25 60.72 119.20 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 37 26.33 62.06 119.00 25.95 62.76 119.61 28.52 61.49 120.11 29.74 61.19 120.06 27.75 61.74 118.84 28.45 62.84 117.99 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 38 27.87 61.62 121.26 26.91 61.88 121.19 28.14 60.03 123.15 27.48 59.24 122.48 28.59 61.36 122.52 28.33 62.46 123.48 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 39 28.38 59.84 124.44 28.81 60.60 124.93 26.68 58.65 125.79 26.42 57.81 126.63 28.03 58.61 125.08 29.15 58.20 126.07 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 40 25.89 59.65 125.45 26.28 60.30 124.80 23.62 58.70 125.49 22.51 58.56 126.00 24.54 59.77 126.03 23.90 61.14 125.73 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 41 24.03 57.97 124.46 24.93 58.21 124.10 22.95 55.84 125.03 21.94 55.13 125.05 23.16 56.89 123.95 23.76 56.25 122.67 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 42 23.94 55.67 125.91 24.73 56.27 125.79 22.70 54.96 127.99 21.81 54.12 128.20 23.83 54.67 126.97 25.17 54.50 127.69 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 43 22.72 56.15 128.64 23.47 56.79 128.45 20.25 56.43 128.83 19.26 56.02 129.40 21.62 56.40 129.57 21.99 57.76 130.24 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 44 20.22 56.85 127.56 21.10 57.13 127.20 18.49 55.44 126.56 17.32 55.12 126.75 18.94 56.87 126.81 19.05 57.63 125.47 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 45 19.42 54.58 126.18 20.33 54.98 126.06 18.55 52.55 127.27 17.45 51.86 127.30 19.08 53.17 125.96 20.32 52.37 125.47 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 46 19.25 52.81 128.37 20.07 53.36 128.22 17.40 52.83 130.08 16.60 52.05 130.59 18.80 52.30 129.67 19.80 52.63 130.78 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 47 17.13 54.11 129.87 17.90 54.61 129.48 14.67 54.07 129.39 13.58 53.76 129.95 15.80 54.71 130.19 15.82 56.23 129.85 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 48 14.91 53.89 128.09 15.84 54.11 127.79 13.77 51.92 127.00 12.80 51.46 126.50 13.84 53.41 127.21 13.88 54.16 125.88 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 49 14.75 51.15 127.46 15.51 51.63 127.91 14.81 48.88 128.56 14.66 47.63 128.52 14.66 49.69 127.30 15.69 49.21 126.30 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 50 15.10 49.53 129.66 15.12 50.53 129.56 14.97 49.57 132.18 15.57 49.39 133.24 15.35 48.82 130.92 16.85 48.40 130.94 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 51 13.97 50.43 132.08 13.56 50.50 131.17 14.68 51.91 133.96 14.72 51.89 135.19 13.52 51.19 133.22 12.81 50.26 134.19 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 52 15.62 52.51 133.23 15.49 52.44 132.25 17.81 52.38 134.60 18.55 52.93 135.40 16.73 53.21 133.86 16.20 54.31 134.79 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 53 17.85 51.07 134.36 17.11 50.75 133.77 19.88 49.86 133.78 19.46 49.64 132.63 18.89 50.17 134.90 18.28 48.89 135.43 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 54 21.18 49.82 134.09 21.40 49.97 135.05 22.12 48.14 132.75 21.62 47.37 133.57 22.18 49.59 133.09 23.56 49.93 133.65 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 55 22.61 47.78 131.56 22.95 48.55 131.02 23.77 45.65 131.88 24.73 46.25 132.33 22.65 46.40 131.08 22.98 46.45 129.58 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 56 23.65 44.33 132.05 22.84 43.93 131.64 25.98 43.42 132.01 25.98 43.46 130.76 24.70 43.60 132.80 24.06 42.23 133.04 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 57 27.09 43.18 132.71 27.00 43.15 133.71 28.16 41.74 131.05 27.40 40.82 131.40 28.33 43.00 131.95 29.56 42.83 132.91 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 58 28.83 41.70 129.90 29.43 42.48 129.73 27.60 40.88 127.89 27.69 40.35 126.78 28.66 40.58 128.98-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 59 26.63 41.74 128.22 26.68 42.04 129.17 26.03 43.58 126.82 25.98 43.94 125.62 25.58 42.18 127.27 24.19 42.26 127.95 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 60 26.55 44.34 127.76 26.57 43.93 128.67 28.03 45.63 126.25 28.00 46.52 125.35 27.03 45.68 127.44 27.77 46.33 128.62 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 61 28.91 44.63 126.23 28.81 43.94 126.95 29.36 44.36 123.73 29.64 45.13 122.78 29.92 44.60 125.16 31.03 43.59 125.48 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 62 28.56 43.31 123.56 28.35 42.74 124.35 27.12 44.27 121.75 27.08 44.59 120.56 28.05 43.12 122.20 27.34 41.75 122.28 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 63 26.41 44.88 122.71 26.55 44.52 123.63 26.33 47.18 121.89 25.95 47.84 120.95 25.50 45.97 122.39 24.65 46.41 123.64 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 64 27.43 47.46 122.57 27.59 46.86 123.35 29.01 48.22 120.87 29.19 49.10 120.08 28.32 48.53 122.21 29.34 48.82 123.35 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 65 29.39 46.97 120.63 29.26 46.33 121.39 28.92 46.85 118.21 29.26 47.28 117.12 29.94 46.61 119.32 30.39 45.15 119.35 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 66 27.64 46.60 118.51 27.48 46.27 119.44 26.47 48.31 117.29 26.39 48.73 116.17 26.59 46.81 117.54 25.22 46.26 118.06 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 67 26.52 49.12 118.34 26.64 48.66 119.22 27.48 51.08 117.20 27.17 51.86 116.27 26.41 50.55 118.16 26.56 51.22 119.54 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 68 28.72 50.63 117.41 28.81 49.99 118.17 29.75 50.61 115.14 30.10 51.36 114.23 29.84 51.06 116.60 31.17 50.57 117.19 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 69 29.24 49.39 114.96 28.99 48.92 115.80 27.97 49.59 112.92 28.10 49.86 111.73 29.05 48.80 113.66 28.67 47.32 113.81 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 70 26.92 49.97 113.63 26.92 49.69 114.59 26.42 52.13 112.56 26.18 52.56 111.41 25.87 50.75 113.00 24.67 50.98 113.94 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 71 27.14 52.76 113.46 27.23 52.25 114.31 28.71 54.11 112.03 28.66 55.02 111.18 27.75 54.09 113.24 28.52 54.53 114.52 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 72 29.55 53.08 111.93 29.44 52.41 112.67 29.88 52.70 109.48 30.22 53.33 108.47 30.55 52.96 110.85 31.53 51.83 111.17 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 73 28.91 51.79 109.44 28.71 51.32 110.30 27.45 52.81 107.72 27.40 53.12 106.52 28.23 51.56 108.17 27.34 50.29 108.20 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 74 26.89 53.56 108.66 27.00 53.21 109.59 27.13 55.90 107.88 26.70 56.83 107.20 26.18 54.78 108.29 25.32 55.27 109.46 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 75 28.43 55.89 108.29 28.70 55.10 108.83 29.83 56.70 106.53 30.67 57.35 105.92 29.35 57.00 107.93 30.51 57.18 108.90 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 76 29.16 55.68 106.10 28.61 55.25 106.82 30.27 54.32 104.28 30.91 54.60 103.25 29.19 55.22 104.77 29.11 56.41 103.86 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 77 30.51 53.23 104.96 30.02 53.15 105.83 31.02 52.03 103.00 30.32 51.10 102.62 31.41 52.25 104.47 31.40 50.95 105.32 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 78 31.54 52.97 102.17 32.11 53.60 102.71 29.94 53.06 100.22 29.56 52.06 99.63 31.38 53.17 100.72 32.31 52.24 99.93 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 79 29.16 54.09 100.47 29.59 54.83 100.99 26.94 52.88 100.28 27.22 51.78 99.80 27.79 54.12 100.03-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE.A 80 25.91 53.04 101.09 25.86 53.92 101.55 25.33 50.58 101.81 24.97 49.58 101.20 24.97 51.95 101.26 24.25 51.74 99.93 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 81 26.00 50.53 102.95 26.28 51.42 103.33 25.41 49.04 104.81 25.38 47.98 105.41 26.30 49.25 103.55 27.72 49.21 103.98 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 82 24.69 50.07 105.21 24.81 50.89 104.65 22.66 49.03 106.18 21.98 49.10 105.16 23.82 49.99 106.39 23.28 51.37 106.70 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 83 22.47 48.11 107.13 23.15 48.18 107.86 20.49 47.31 108.32 20.95 47.76 109.39 21.42 47.10 107.12 22.02 45.70 107.20 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 84 19.21 46.94 108.15 18.97 46.55 107.27 18.33 46.16 110.36 17.95 46.48 111.48 18.25 47.13 109.22 16.80 47.13 108.68 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 85 18.74 44.92 110.14 19.00 44.64 109.22 17.36 43.65 111.86 17.02 43.71 113.04 18.74 44.12 111.39-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 86 16.56 43.20 110.92 16.94 43.27 110.00 15.35 41.16 111.55 16.46 40.61 111.56 15.23 42.67 111.19 14.35 42.83 109.96 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 87 14.20 40.56 111.87 13.44 41.21 111.86 14.47 38.26 111.03 14.38 38.66 109.88 14.03 39.13 112.21 12.52 38.83 112.43 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 88 14.93 37.04 111.29 14.96 36.79 112.26 14.20 35.18 109.88 14.33 34.28 109.06 15.33 36.17 110.18 16.61 35.43 110.55 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 89 13.07 35.38 110.55 13.11 36.15 111.18 11.45 34.59 108.88 11.30 35.68 108.27 11.90 34.54 110.36 10.78 35.06 111.26 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 90 11.19 33.42 108.30 11.30 32.62 108.89 9.35 33.86 106.65 9.07 34.35 105.56 10.78 33.38 106.91 11.02 31.96 106.36 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 91 8.44 33.73 107.62 8.78 33.31 108.46 7.09 35.69 107.03 7.58 36.54 107.78 7.07 34.18 107.41 6.27 33.97 108.67 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 92 6.57 35.99 105.85 6.18 35.22 105.34 5.78 38.23 106.26 6.10 39.41 106.43 6.59 37.35 105.36 6.05 37.41 103.89 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 93 4.72 37.69 106.86 4.54 36.73 106.64 4.69 38.83 109.02 4.48 39.85 109.67 3.90 38.51 107.76 2.60 37.79 108.11 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 94 5.64 37.95 109.34 5.76 37.17 108.72 7.53 39.18 110.17 8.00 39.92 111.04 6.42 38.18 110.52 6.96 36.85 111.06 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 95 7.92 39.25 108.90 7.46 38.62 108.27 8.32 41.62 108.52 8.91 42.62 108.93 8.97 40.22 108.52 9.54 39.90 107.13 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 96 7.07 41.65 108.10 6.71 40.76 107.81 6.22 43.45 109.44 6.52 44.64 109.63 6.29 42.87 108.06 4.83 42.60 107.52 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 97 5.84 42.61 110.41 5.65 41.68 110.08 7.02 43.53 112.39 7.05 44.50 113.18 5.69 43.00 111.82 5.29 41.77 112.67 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 98 8.09 42.86 111.99 7.90 42.10 111.37 9.88 44.57 111.92 10.55 45.34 112.64 9.42 43.20 112.44 10.36 42.07 112.04 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 99 9.54 44.85 110.66 9.02 44.14 110.18 9.20 47.17 110.82 9.76 48.19 111.14 9.92 46.11 110.06 9.55 46.17 108.58 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 100 7.92 46.92 111.15 7.56 46.05 110.84 7.74 48.10 113.30 7.80 49.22 113.85 7.15 47.90 111.89 5.67 47.40 112.03 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 101 8.15 47.00 113.89 7.99 46.18 113.33 10.03 47.81 115.18 10.29 48.65 116.08 8.75 46.95 115.22 9.11 45.47 115.46 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 102 10.80 47.59 114.13 10.45 46.89 113.50 11.78 49.84 113.84 12.41 50.68 114.52 12.07 48.33 113.95 12.74 47.89 112.66 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 103 10.78 50.15 113.01 10.31 49.36 112.61 9.95 52.32 113.96 10.31 53.47 114.09 10.42 51.53 112.73 9.38 51.56 111.64 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 104 9.13 51.72 114.84 8.80 50.81 114.60 10.01 52.88 116.86 10.09 54.01 117.37 8.76 52.42 116.06 7.98 51.53 116.98 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 105 10.95 51.99 117.03 10.77 51.10 116.60 13.08 53.35 117.07 13.72 54.21 117.69 12.15 52.38 117.82 12.87 51.13 118.31 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 106 13.15 53.23 115.75 12.64 52.48 115.33 13.32 55.56 115.18 14.01 56.58 115.44 13.96 54.17 115.01 14.00 53.79 113.52 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 107 12.00 55.65 115.04 11.52 54.80 114.83 11.54 57.53 116.61 11.66 58.77 116.74 11.35 56.94 115.21 9.82 56.82 114.89 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 108 11.51 56.69 117.64 11.35 55.74 117.36 13.14 57.71 119.12 13.33 58.86 119.58 11.70 57.12 119.04 11.63 55.92 120.03 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 109 14.10 56.90 118.71 13.79 56.01 118.40 15.79 58.68 118.02 16.33 59.68 118.58 15.51 57.38 118.75-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE~A 110 15.44 58.72 116.72 15.00 57.90 116.35 14.99 61.10 116.55 15.53 62.21 116.52 15.72 59.90 115.96 15.41 59.70 114.45 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 111 13.76 60.91 117.05 13.40 59.99 116.96 13.66 62.51 118.99 13.59 63.70 119.29 13.02 62.01 117.68-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 112 14.28 61.61 119.76 14.21 60.67 119.44 16.22 62.83 120.56 16.58 63.82 121.20 14.98 62.02 120.99 15.50 60.81 121.77 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 113 16.89 62.38 119.50 16.51 61.54 119.10 17.76 64.43 118.31 18.61 65.33 118.30 18.09 63.08 118.99 18.83 62.20 117.98 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 114 16.54 64.55 117.75 15.98 63.73 117.87 14.69 66.10 117.60 13.65 65.79 117.04 16.05 65.74 117.02 15.95 65.44 115.50 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 115 14.70 66.76 118.75 15.61 66.97 119.11 12.58 68.07 118.64 11.42 68.21 118.98 13.48 67.16 119.43 13.99 67.78 120.75 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 116 13.09 68.70 117.58 14.06 68.53 117.43 12.02 68.94 115.35 11.75 69.63 114.40 12.27 69.57 116.74 12.97 70.92 116.50 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 117 12.11 67.62 115.24 12.33 67.14 116.09 10.55 67.28 113.34 10.40 67.32 112.08 11.89 66.95 113.96 12.02 65.43 114.16 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 118 9.53 67.50 114.19 9.77 67.45 115.16 8.18 69.01 112.74 7.31 69.14 111.89 8.19 67.80 113.67 7.18 68.05 114.83 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 119 9.19 69.87 112.85 9.88 69.64 113.54 9.84 70.80 110.66 9.72 71.65 109.78 9.23 71.05 112.02 9.99 72.15 112.74 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 120 10.46 69.64 110.46 10.47 68.97 111.21 10.04 69.29 108.06 8.98 68.68 108.25 11.06 69.43 109.16 11.95 68.23 109.20 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 121 10.34 69.89 106.91 11.19 70.41 106.92 10.18 69.13 104.60 11.17 68.48 104.80 9.45 69.78 105.76 8.94 71.15 105.34 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 122 9.68 69.32 103.39 8.85 69.87 103.35 10.47 67.23 102.29 9.59 66.52 102.81 10.33 68.75 102.22-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 123 11.60 66.73 101.83 12.28 67.41 101.54 11.97 64.69 103.17 11.59 63.54 103.43 11.78 65.28 101.78 12.97 64.89 100.88 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 124 12.57 65.45 104.07 12.84 66.36 103.75 11.43 64.75 106.13 11.17 63.70 106.73 12.79 64.93 105.41 13.79 65.83 106.15 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 125 10.57 65.75 106.00 10.92 66.53 105.48 8.42 64.51 105.97 7.61 63.86 106.67 9.24 65.66 106.59-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 126 8.57 64.30 104.67 9.23 64.91 104.22 8.29 61.83 104.47 7.48 60.94 104.74 7.81 63.23 103.99 7.97 63.38 102.46 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 127 9.59 61.69 104.65 10.14 62.51 104.46 9.69 60.17 106.54 9.41 59.03 106.91 10.15 60.44 105.11 11.75 60.45 105.04 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 128 9.60 61.23 107.36 9.84 62.10 106.94 7.73 60.56 108.68 7.37 59.54 109.34 9.18 61.08 108.74 9.21 62.44 109.50 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 129 6.92 61.20 107.84 7.35 61.96 107.35 5.41 59.32 107.20 4.54 58.54 107.63 5.49 60.76 107.72 4.71 61.58 106.71 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 130 6.27 58.97 106.23 6.89 59.71 105.95 6.71 56.54 106.65 6.15 55.43 106.68 6.27 57.61 105.64 7.15 57.55 104.35 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 131 7.70 56.83 107.50 8.11 57.74 107.38 6.98 55.65 109.53 6.73 54.52 109.96 8.13 55.85 108.51 9.37 56.31 109.32 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 132 6.33 56.75 109.92 6.68 57.60 109.53 4.08 55.81 110.25 3.40 55.10 111.01 5.21 56.66 110.84 4.70 58.06 111.22 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 133 3.87 55.85 108.93 4.47 56.48 108.42 3.33 53.58 108.27 2.55 52.66 108.44 2.83 55.00 108.31 2.52 55.39 106.85 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 134 4.63 53.41 108.05 5.15 54.26 107.94 5.17 51.35 109.31 5.04 50.11 109.31 5.23 52.10 107.98 6.74 52.17 107.47 3 0 1000.00-999 ?-999 ?-999 ? mCYH~A 135 5.29 52.04 110.43 5.41 53.03 110.37 3.80 50.72 111.95 3.62 49.85 112.78 5.23 51.26 111.65 5.82 52.02 112.84 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 136 2.81 51.16 111.21 3.06 51.85 110.53 1.02 49.92 110.17 -0.19 49.72 109.95 1.48 50.63 111.43 0.52 51.76 111.77 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 137 1.97 49.60 109.28 2.90 49.86 109.55 1.02 47.60 108.38 1.66 46.69 108.91 1.65 48.94 108.03 2.90 48.82 107.17 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 138 -0.26 47.52 108.05 -0.60 48.33 107.58 -1.34 45.54 107.13 -1.61 46.03 106.05 -1.08 46.38 108.34-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR.A 139 -1.27 44.23 107.36 -1.06 44.02 108.31 -2.24 42.05 106.97 -2.68 42.14 108.12 -1.47 43.20 106.36 -0.14 42.67 105.83 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 140 -2.40 40.98 106.21 -2.01 41.05 105.29 -3.31 38.83 105.60 -2.88 39.01 104.46 -3.09 39.81 106.71 -4.44 40.17 107.36 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 141 -4.03 37.79 105.98 -4.30 37.87 106.94 -3.27 35.63 105.32 -2.30 35.87 106.03 -4.41 36.66 105.19 -4.70 37.03 103.73 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 142 -3.37 34.51 104.64 -4.18 34.45 104.05 -1.41 33.46 103.60 -0.62 32.54 103.41 -2.38 33.46 104.76 -3.08 32.11 104.87 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 143 -1.48 34.55 102.83 -2.13 35.23 103.15 0.73 34.08 101.69 1.05 33.21 100.89 -0.67 34.73 101.63 -0.55 36.23 101.30 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 144 1.56 34.50 102.65 1.23 35.26 103.22 3.61 33.86 101.41 4.59 33.16 101.15 2.90 33.78 102.76 2.83 32.30 103.18 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 145 3.09 34.73 100.55 2.32 35.27 100.91 4.68 35.87 98.98 5.13 36.56 99.90 3.60 34.87 99.20 2.44 35.18 98.27 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 146 5.12 35.93 97.73 4.70 35.28 97.10 5.37 38.12 97.01 5.94 39.21 96.97 6.14 36.88 97.33 6.89 36.42 96.10 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 147 4.07 37.97 96.80 3.72 37.04 96.83 3.69 40.16 97.59 4.28 41.20 97.26 3.26 39.14 96.54 1.76 38.85 96.71 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 148 3.42 39.85 98.86 2.96 38.97 98.99 5.31 40.81 100.08 5.84 41.85 100.42 3.79 40.74 99.93 3.14 40.31 101.25 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 149 6.01 39.73 99.80 5.46 38.94 99.51 8.15 40.78 99.04 8.97 41.58 99.50 7.47 39.73 99.93 8.01 38.37 99.61 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 150 7.82 40.73 97.74 7.16 40.01 97.52 8.14 43.09 97.16 9.07 43.88 97.12 8.35 41.65 96.74 7.69 41.40 95.38 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 151 6.91 43.41 97.54 6.25 42.66 97.49 7.42 45.12 99.25 8.03 46.20 99.31 6.58 44.75 98.00 5.13 44.83 98.33 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 152 7.46 44.22 100.23 6.94 43.38 100.06 9.67 44.77 101.19 10.22 45.69 101.79 8.20 44.47 101.45 8.09 43.28 102.43 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 153 10.32 44.01 100.32 9.79 43.29 99.88 11.91 45.71 99.56 12.93 46.34 99.88 11.71 44.28 100.07 12.27 43.25 99.07 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 154 10.97 46.25 98.79 10.17 45.66 98.61 10.98 48.61 99.38 11.66 49.67 99.39 11.15 47.62 98.27 10.15 47.97 97.14 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 155 10.05 48.32 100.30 9.56 47.46 100.15 11.05 49.19 102.30 11.47 50.21 102.81 9.79 49.22 101.42 8.51 48.79 102.21 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 156 11.65 48.02 102.43 11.21 47.26 101.95 13.98 48.74 102.61 14.70 49.46 103.34 12.86 47.91 103.22 13.31 46.42 103.35 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 157 14.14 48.70 101.28 13.51 48.09 100.81 14.90 50.99 100.87 15.80 51.76 101.09 15.19 49.51 100.63 15.16 49.26 99.10 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 158 13.64 51.39 100.79 12.99 50.66 100.56 13.66 53.17 102.50 14.19 54.25 102.72 13.25 52.78 101.04 11.69 52.95 100.88 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 159 13.39 52.31 103.49 12.95 51.46 103.23 15.28 52.74 104.98 15.80 53.62 105.64 13.74 52.65 104.87 13.16 51.65 105.87 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 160 16.00 51.86 104.34 15.47 51.15 103.88 17.91 53.35 103.77 18.89 53.97 104.27 17.48 52.01 104.36 18.16 50.92 103.57 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 161 17.23 53.78 102.69 16.51 53.17 102.37 17.23 56.20 102.97 18.00 57.20 103.06 17.55 55.03 102.06 16.84 55.19 100.69 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 162 16.06 56.14 103.60 15.49 55.35 103.37 16.78 57.27 105.65 17.21 58.38 106.02 15.69 57.17 104.55 14.29 56.87 105.17 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 163 17.24 56.13 106.15 16.82 55.31 105.77 19.56 56.88 106.68 20.18 57.67 107.40 18.28 56.16 107.18 18.57 54.74 107.69 2 0 1000.00-999 ?-999 ?-999 ? mMETA 164 19.91 56.70 105.42 19.33 56.06 104.90 20.77 58.92 104.70 21.64 59.76 105.01 21.05 57.40 104.85 21.41 56.79 103.49 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 165 19.59 59.29 104.22 18.98 58.53 104.00 19.19 61.45 105.39 19.47 62.67 105.47 19.24 60.69 104.05 17.87 60.82 103.36 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 166 18.79 60.74 106.44 18.59 59.78 106.24 20.06 61.62 108.33 20.38 62.74 108.79 18.67 61.37 107.75 17.84 60.46 108.69 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 167 20.87 60.58 108.27 20.47 59.77 107.83 22.98 61.79 108.15 23.70 62.54 108.80 22.23 60.63 108.82 22.96 59.32 108.55 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 168 22.77 61.96 106.85 22.14 61.31 106.44 22.91 64.40 106.47 23.66 65.39 106.51 23.44 63.04 106.12 23.29 62.80 104.60 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 169 21.61 64.47 106.71 21.10 63.61 106.64 21.44 66.16 108.46 21.69 67.33 108.73 21.03 65.75 107.04 19.53 65.67 107.00 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 170 21.53 65.17 109.34 21.37 64.26 108.97 23.27 65.17 111.22 23.58 65.47 112.37 21.84 65.43 110.73 20.86 64.68 111.59 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 171 24.15 64.63 110.39 23.81 64.39 109.48 26.47 65.57 110.46 26.43 66.04 109.29 25.53 64.44 110.86 26.15 63.14 110.37 2 0 1000.00-999 ?-999 ?-999 ?