HEADER UNKNOWN FUNCTION 30-JUL-04 1U6L COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 208964; SOURCE 4 STRAIN: PAO1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 AUTHOR T.MIN,H.MU,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 33 8 HET MSE A 54 8 HET MSE A 66 8 HET MSE A 109 8 HET MSE A 122 8 HET MSE A 132 8 HET MSE B 33 8 HET MSE B 54 8 HET MSE B 66 8 HET MSE B 109 8 HET MSE B 122 8 HET MSE B 132 8 mSER.A 2 54.65 22.88 32.80 55.62 22.74 33.02 52.74 23.86 31.20 53.49 24.64 30.59 53.19 23.10 32.47 52.43 23.65 33.66 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 3 51.50 23.64 30.82 50.96 23.09 31.46 51.88 24.04 28.40 52.63 24.93 28.16 50.95 24.14 29.59 50.78 25.56 29.76 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 4 51.78 22.97 27.63 50.99 22.38 27.84 52.02 22.98 25.29 50.91 22.45 25.06 52.72 22.67 26.59 52.95 21.19 26.61 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 5 52.57 23.84 24.43 53.39 24.32 24.73 52.81 23.31 22.14 54.00 23.57 22.11 51.91 23.99 23.12 51.44 25.41 22.69 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 6 52.23 22.37 21.38 51.26 22.25 21.59 52.18 21.56 19.02 51.02 21.24 19.05 52.93 21.58 20.36 53.01 20.18 20.91 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 7 52.81 21.79 17.87 53.77 22.04 17.96 51.70 20.21 16.24 52.56 19.38 16.31 52.04 21.65 16.57 53.05 22.15 15.48 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 8 50.49 19.89 15.85 49.85 20.66 15.92 49.96 18.55 13.82 49.13 19.31 13.30 50.14 18.54 15.36 48.83 18.13 15.96 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 9 50.69 17.74 13.07 51.29 17.10 13.56 49.83 16.66 11.00 49.78 15.56 11.60 50.57 17.86 11.63 51.93 17.83 11.00 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 10 49.31 16.82 9.77 49.43 17.71 9.33 49.17 15.45 7.76 49.13 16.27 6.91 48.63 15.74 9.14 47.23 16.09 9.13 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 11 49.74 14.27 7.54 49.84 13.74 8.38 49.14 12.89 5.50 48.24 12.28 6.13 50.18 13.81 6.20 51.52 13.11 6.30 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 12 49.24 12.81 4.19 49.91 13.40 3.74 49.12 10.62 3.18 49.20 10.22 2.05 48.39 11.92 3.51 47.96 12.57 2.23 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 13 49.70 9.96 4.17 49.73 10.47 5.03 51.76 8.51 4.20 52.32 7.39 4.18 50.24 8.60 4.00-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN~A 14 52.45 9.65 4.30 51.92 10.49 4.39 54.50 10.12 5.57 55.70 10.47 5.63 53.92 9.59 4.28 54.53 10.28 3.09 2 0 1000.00-999 ?-999 ?-999 ? mCYH~A 15 53.66 10.16 6.60 52.72 9.91 6.39 55.35 9.75 8.40 56.32 10.36 8.87 54.10 10.53 7.91 52.92 10.32 8.85 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 16 55.32 8.41 8.31 54.47 8.03 7.94 57.71 8.08 7.99 58.66 8.41 8.63 56.47 7.62 8.71 56.25 6.13 8.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 17 57.70 8.14 6.66 56.88 7.80 6.20 59.25 10.08 6.51 60.46 10.37 6.62 58.86 8.69 5.99 58.69 8.74 4.51 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 18 58.25 10.93 6.84 57.34 10.51 6.89 59.24 12.51 8.44 60.29 13.15 8.56 58.54 12.39 7.09 57.34 13.17 7.07 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 19 58.72 11.78 9.43 57.96 11.19 9.19 60.58 11.26 10.83 61.40 11.74 11.54 59.26 11.87 10.75 58.31 11.39 11.79 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 20 60.85 10.26 10.01 60.12 10.00 9.39 63.22 10.62 9.62 64.35 10.64 10.10 62.15 9.62 10.06 62.17 8.45 9.16 2 0 1000.00-999 ?-999 ?-999 ? mCYH~A 21 62.86 11.49 8.70 61.91 11.40 8.39 63.95 13.69 9.23 65.11 14.07 9.61 63.80 12.48 8.20 63.28 12.82 6.82 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 22 62.81 14.26 9.71 61.99 14.01 9.19 63.72 14.57 11.97 64.61 15.26 12.43 62.80 15.15 10.90 61.39 15.41 11.45 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 23 63.56 13.30 12.34 62.79 12.80 11.93 65.89 12.82 12.83 66.80 13.37 13.55 64.44 12.70 13.25 64.12 11.24 13.42 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 24 66.17 12.29 11.65 65.39 11.93 11.13 68.23 13.65 11.32 69.41 13.71 11.59 67.58 12.27 11.21 67.71 11.70 9.80 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 25 67.46 14.74 11.10 66.48 14.59 11.16 67.95 16.98 11.95 68.70 17.98 12.03 68.08 16.05 10.81 67.45 16.66 9.60 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 26 66.97 16.68 12.82 66.49 15.82 12.66 67.19 16.94 15.13 67.37 17.64 16.12 66.65 17.53 13.89 65.17 17.64 13.99 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 27 67.47 15.65 15.12 67.31 15.17 14.25 66.82 14.75 17.24 65.74 14.57 16.75 67.98 15.04 16.35-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 28 67.01 14.69 18.54 67.95 14.87 18.83 65.58 12.91 19.50 66.28 12.14 18.97 65.89 14.38 19.45-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^A 29 64.49 12.56 20.13 64.01 13.37 20.47 62.58 11.11 19.71 61.63 11.92 19.92 63.99 11.23 20.32 63.76 10.97 21.82 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 30 62.46 10.04 18.97 63.26 9.46 18.89 60.48 8.87 19.37 60.65 7.64 19.37 61.24 9.76 18.33 61.63 9.05 17.05 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 31 59.73 9.51 20.28 59.71 10.50 20.17 57.89 7.87 20.86 57.42 6.98 21.60 59.02 8.79 21.36 58.47 9.75 22.39 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 32 57.47 8.02 19.62 58.01 8.67 19.08 56.18 7.13 17.63 56.31 8.08 16.85 56.29 7.26 19.16 55.02 7.84 19.68 2 0 1000.00-999 ?-999 ?-999 ? mMETA 33 55.90 5.95 17.16 55.79 5.23 17.84 54.73 4.72 15.64 55.04 3.59 15.28 55.76 5.78 15.73 57.05 5.26 15.11 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 34 53.52 5.02 16.05 53.35 5.99 16.21 51.55 3.78 14.97 50.90 4.72 14.59 52.55 3.95 16.22 51.89 4.17 17.56 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 35 51.50 2.59 14.30 52.16 1.90 14.62 49.18 2.01 13.65 49.02 1.50 14.76 50.56 2.33 13.18 51.12 1.10 12.52 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 36 48.18 2.37 12.83 48.50 2.85 12.01 46.65 0.61 13.31 46.10 0.24 14.26 46.77 2.09 13.08 45.93 2.44 11.87 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 37 47.23 -0.20 12.44 47.61 0.26 11.63 47.60 -2.06 14.05 46.86 -2.84 14.61 47.31 -1.63 12.63-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 38 48.65 -1.54 14.67 49.17 -0.86 14.16 48.27 -1.17 17.06 48.79 -1.00 18.14 48.97 -1.99 16.01 50.47 -1.98 16.27 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 39 47.07 -0.69 16.76 46.76 -0.89 15.83 44.82 -0.38 17.97 44.38 -1.45 17.51 46.29 0.08 17.74 46.32 1.54 17.36 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 40 44.04 0.41 18.73 44.50 1.10 19.28 41.99 0.92 17.49 40.94 1.56 17.61 42.59 0.15 18.68 42.11 0.69 20.03 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 41 42.67 0.84 16.35 43.42 0.18 16.43 42.36 3.15 15.27 41.52 3.87 14.69 42.39 1.61 15.10 41.12 1.12 14.41 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 46 37.94 2.68 10.55 37.31 3.45 10.61 39.77 1.45 9.20 41.00 1.61 9.32 38.87 1.53 10.46 37.94 0.30 10.53 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 47 39.14 1.21 8.04 38.16 1.38 8.13 40.63 -0.56 6.86 40.94 -1.04 7.98 39.76 0.74 6.76 40.43 1.91 5.99 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 48 40.95 -1.18 5.71 40.64 -0.68 4.90 43.09 -2.10 5.34 43.45 -0.94 5.50 41.67 -2.46 5.66 41.09 -3.38 4.59 2 0 1000.00-999 ?-999 ?-999 ? mTRP.A 49 43.90 -3.07 4.88 43.46 -3.97 4.87 45.61 -1.28 4.40 45.52 -0.64 3.35 45.29 -2.81 4.44 45.53 -3.49 3.07 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 50 45.92 -0.74 5.59 46.02 -1.44 6.29 46.90 0.98 7.21 46.38 1.61 8.11 46.12 0.70 5.88 44.76 1.37 5.90 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 51 48.13 0.47 7.33 48.39 -0.08 6.54 50.11 1.82 8.35 51.29 1.71 8.58 49.01 0.73 8.53 49.45 -0.56 9.19 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 52 49.57 2.88 7.84 48.79 2.66 7.26 50.03 4.54 9.51 49.93 3.60 10.31 49.94 4.21 8.02 48.77 4.98 7.40 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 53 50.21 5.84 9.89 50.06 6.56 9.20 49.57 6.72 12.14 49.17 7.85 11.84 50.60 6.10 11.28 51.76 7.01 11.32 3 0 1000.00-999 ?-999 ?-999 ? mMETA 54 49.11 6.05 13.18 49.55 5.17 13.36 48.54 7.84 14.69 47.82 8.85 14.82 48.04 6.59 13.99 47.55 5.60 14.98 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 55 49.82 7.82 15.10 50.36 7.02 14.84 51.81 8.96 16.08 52.46 7.97 16.23 50.31 8.93 15.89 49.70 8.79 17.21 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 56 52.43 10.08 16.02 51.88 10.91 15.93 54.32 11.15 16.90 53.63 12.19 16.90 53.86 9.97 16.08 54.47 10.04 14.67 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 57 55.47 11.04 17.57 55.98 10.19 17.41 57.37 12.23 18.43 58.04 11.21 18.61 55.88 12.13 18.47 55.38 11.88 19.87 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 58 57.89 13.40 18.07 57.19 14.09 17.88 59.66 14.71 19.03 59.09 15.80 19.10 59.29 13.68 17.94 59.46 14.32 16.60 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 59 60.53 14.39 19.98 61.00 13.51 19.91 62.12 15.77 20.86 63.05 14.93 20.62 60.71 15.36 21.03 60.46 14.82 22.43 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 60 62.29 17.09 20.97 61.46 17.61 21.17 63.92 18.67 21.89 63.23 19.75 22.00 63.65 17.68 20.80 63.83 18.43 19.46 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 61 64.88 18.34 22.70 65.48 17.59 22.44 63.63 19.24 24.56 63.05 18.32 25.06 64.97 19.08 23.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.A 62 63.11 20.42 24.56 63.62 21.11 24.05 60.75 21.02 24.29 59.62 21.31 24.67 61.88 20.64 25.28 62.11 21.77 26.28 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 63 61.04 21.01 23.00 62.01 20.94 22.78 59.41 19.75 21.42 60.11 18.72 21.54 59.89 21.10 22.03 60.26 22.11 20.94 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 64 58.25 19.76 20.80 57.78 20.64 20.74 56.98 18.78 19.00 56.25 19.73 18.98 57.75 18.51 20.26 56.91 17.66 21.26 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 65 57.22 17.97 17.95 58.08 17.46 18.01 55.47 16.59 16.98 55.99 15.56 17.21 56.34 17.82 16.82 57.19 17.64 15.57 3 0 1000.00-999 ?-999 ?-999 ? mMETA 66 54.15 16.68 16.83 53.82 17.62 16.77 52.69 15.35 15.40 52.40 16.41 14.79 53.31 15.46 16.75 52.22 15.47 17.78 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 67 52.42 14.12 14.93 52.67 13.37 15.53 50.89 12.77 13.49 50.90 11.95 14.43 51.78 13.98 13.60 52.86 13.99 12.52 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 68 50.18 12.62 12.36 50.32 13.36 11.70 49.04 11.25 10.65 49.08 12.25 9.89 49.28 11.48 12.14 48.00 11.80 12.82 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 69 48.85 10.00 10.21 48.93 9.28 10.89 47.03 10.02 8.62 46.30 9.49 9.44 48.54 9.82 8.74 48.97 8.50 8.16 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 70 46.55 10.92 7.74 47.23 11.40 7.19 44.27 9.79 7.60 44.67 8.80 7.01 45.09 11.10 7.65 44.77 11.98 6.45 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 71 43.15 9.80 8.30 43.09 10.62 8.87 41.46 8.68 6.90 40.79 9.60 6.52 42.11 8.73 8.27 40.93 9.05 9.20 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 72 41.50 7.56 6.24 41.92 6.75 6.64 39.37 8.05 4.91 38.83 8.16 3.80 40.89 7.70 4.95 41.21 6.40 4.28 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 73 38.72 8.31 6.05 39.27 8.18 6.87 37.14 10.28 5.86 36.01 10.79 5.86 37.28 8.78 6.02 36.54 8.37 7.28 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 74 38.26 11.03 5.81 39.11 10.51 5.81 39.01 12.95 4.62 40.13 12.48 4.42 38.19 12.48 5.76 38.67 13.11 7.04 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 75 38.43 13.85 3.80 37.52 14.16 4.07 40.51 14.86 3.03 40.66 15.27 4.21 39.13 14.32 2.61 38.22 15.46 2.13 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 76 41.49 14.90 2.13 41.26 14.62 1.20 43.19 16.62 1.89 43.32 16.66 0.63 42.83 15.36 2.60 43.99 14.37 2.35 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 77 43.45 17.66 2.66 43.15 17.60 3.61 45.43 18.83 2.83 45.48 18.45 4.00 44.14 18.79 2.09 43.36 20.06 2.28 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 78 46.46 19.29 2.14 46.22 19.58 1.22 47.87 20.29 3.87 46.90 20.35 4.66 47.80 19.37 2.68-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE.A 79 48.97 21.01 4.05 49.66 20.93 3.32 49.04 23.26 4.75 49.69 23.60 3.82 49.10 21.85 5.25 50.44 21.50 6.04 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 80 48.26 24.12 5.34 47.75 23.79 6.13 48.39 26.65 5.73 49.25 27.53 5.53 48.22 25.44 4.79 47.01 25.58 3.84 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 81 47.57 26.81 6.72 46.99 26.05 7.01 48.94 28.62 7.93 49.13 29.81 8.11 47.65 28.15 7.28-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mCYH^A 82 49.79 27.66 8.32 49.56 26.73 8.02 52.20 27.15 8.73 52.14 26.28 7.86 50.95 27.94 9.10 50.63 27.85 10.59 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 83 53.34 27.54 9.33 53.22 28.33 9.93 55.40 26.66 10.39 55.12 27.34 11.39 54.63 26.86 9.14 55.53 27.49 8.08 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 84 56.34 25.69 10.36 56.49 25.26 9.47 58.34 26.08 11.58 59.23 25.83 10.82 57.06 25.33 11.57 57.33 23.87 11.76 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 85 58.43 27.08 12.40 57.67 27.21 13.04 60.73 27.26 13.15 60.48 26.87 14.30 59.57 27.89 12.33 59.24 29.25 12.86 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 86 61.96 27.22 12.63 62.04 27.55 11.68 64.15 27.76 13.82 64.99 28.09 13.00 63.09 26.72 13.43 63.78 25.58 12.72 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 87 64.13 28.25 15.07 63.36 27.90 15.61 66.29 28.33 16.07 66.16 27.52 17.02 65.13 29.20 15.59 64.51 30.07 16.68 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 88 67.39 28.48 15.35 67.26 29.16 14.63 69.81 28.86 15.92 69.75 30.07 15.60 68.66 27.80 15.49 68.86 27.22 14.10 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 89 70.85 28.41 16.61 70.83 27.41 16.70 73.15 29.70 16.29 74.05 30.38 16.76 71.92 29.31 17.20 72.43 28.75 18.53 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 90 73.17 29.34 15.02 72.33 28.92 14.67 74.01 29.52 12.72 73.07 28.86 12.31 74.34 29.55 14.21 75.37 28.44 14.55 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 91 74.81 30.20 11.87 75.57 30.70 12.29 74.77 28.75 9.90 74.09 28.28 8.95 74.53 30.16 10.43 75.33 31.17 9.65 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 92 75.70 28.04 10.52 76.11 28.42 11.35 74.80 25.88 10.03 74.46 25.08 9.09 76.03 26.76 9.89 77.22 26.10 10.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 93 74.14 26.03 11.20 74.45 26.74 11.82 71.84 25.55 10.64 71.14 24.69 10.11 73.03 25.15 11.47 72.74 25.01 12.96 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 94 71.64 26.84 10.46 72.27 27.50 10.88 70.81 26.66 8.24 69.86 26.14 7.57 70.55 27.21 9.66 70.38 28.62 9.63 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 95 72.05 26.71 7.76 72.78 27.05 8.36 71.97 24.76 6.34 71.29 24.27 5.43 72.23 26.27 6.40 73.61 26.58 5.90 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 96 72.49 24.04 7.34 72.92 24.56 8.08 70.98 22.10 7.34 70.59 21.18 6.60 72.44 22.60 7.31 73.16 22.10 8.52 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 97 70.15 22.73 8.18 70.54 23.43 8.76 68.08 22.82 6.93 67.28 22.10 6.41 68.76 22.37 8.20 68.07 23.03 9.36 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 98 68.35 24.00 6.44 69.07 24.53 6.89 67.89 23.42 4.23 67.02 22.94 3.50 67.61 24.44 5.31 68.13 25.82 4.89 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 99 69.16 23.06 4.14 69.78 23.40 4.85 68.90 20.87 3.15 68.31 20.42 2.18 69.52 22.19 3.04 71.00 22.18 2.78 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 100 68.94 20.32 4.36 69.36 20.88 5.07 66.88 18.90 4.25 66.49 18.18 3.34 68.39 18.99 4.60 68.75 18.43 6.00 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 101 66.04 19.66 4.92 66.45 20.35 5.51 64.12 19.96 3.37 63.12 19.45 2.84 64.62 19.47 4.76 63.96 20.20 5.90 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 102 64.84 20.90 2.76 65.70 21.09 3.22 64.54 20.64 0.34 63.72 20.57 -0.61 64.36 21.56 1.51 65.06 22.90 1.26 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 103 65.56 19.81 0.42 66.09 19.92 1.26 64.62 18.08 -1.23 63.94 17.47 -0.50 65.82 18.83 -0.72 66.99 17.92 -0.39 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 104 64.29 18.22 -2.47 64.85 18.82 -3.05 61.81 18.23 -2.80 60.74 17.73 -3.33 63.12 17.47 -2.84-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 105 61.87 19.42 -2.19 62.78 19.71 -1.90 60.85 21.45 -2.81 61.26 21.41 -3.97 60.69 20.19 -2.00-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^A 106 60.53 22.58 -2.21 60.26 22.51 -1.25 60.87 24.99 -2.06 60.57 24.93 -0.91 60.59 23.79 -2.98 59.25 23.98 -3.70 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 107 61.38 26.08 -2.58 61.39 26.07 -3.57 61.03 28.44 -1.95 60.90 28.91 -3.11 61.88 27.19 -1.75 63.29 27.53 -2.17 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 108 60.44 28.98 -0.87 60.60 28.54 0.01 60.44 31.42 -0.89 60.07 32.49 -1.43 59.60 30.17 -1.07 58.38 30.26 -0.17 2 0 1000.00-999 ?-999 ?-999 ? mMETA 109 61.54 31.31 -0.14 61.81 30.39 0.16 63.63 32.00 0.50 63.87 31.53 1.59 62.28 32.46 0.18 61.69 33.15 1.38 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 110 64.57 32.18 -0.44 64.22 32.71 -1.21 66.66 31.98 0.98 66.57 33.06 1.43 65.96 31.67 -0.37 66.69 32.46 -1.48 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 111 67.36 31.05 1.58 67.31 30.14 1.16 69.09 32.55 2.69 69.98 32.60 1.89 68.14 31.32 2.76 69.00 30.12 3.05 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 112 68.97 33.51 3.58 68.16 33.46 4.16 69.58 35.62 4.63 68.56 35.50 5.28 70.01 34.55 3.65-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO^A 113 70.36 36.70 4.74 71.15 36.74 4.13 68.86 38.61 5.28 68.68 38.78 4.09 69.96 37.70 5.75 71.24 38.48 5.98 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 114 68.14 39.13 6.25 68.49 38.89 7.15 67.22 40.96 7.16 68.15 40.73 7.96 66.97 39.96 6.08 65.64 39.22 6.54 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 115 66.35 41.96 7.30 65.60 41.94 6.63 66.31 42.61 9.80 66.43 43.44 10.66 66.49 42.99 8.33 65.55 44.15 8.05 3 0 1000.00-999 ?-999 ?-999 ? mTRP.A 116 66.04 41.36 10.07 66.13 40.76 9.27 66.40 39.64 11.67 66.42 39.17 12.82 65.64 40.90 11.39 64.12 40.56 11.42 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 117 66.97 39.03 10.64 66.79 39.39 9.72 69.09 37.77 10.13 69.20 38.31 8.98 67.81 37.89 10.97 67.03 36.59 10.99 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 118 70.06 37.09 10.77 69.88 36.79 11.70 71.11 35.84 8.99 71.79 36.01 8.02 71.29 36.82 10.10 72.34 36.31 11.07 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 119 70.28 34.79 9.14 69.94 34.69 10.08 68.49 33.46 8.14 68.13 33.01 9.22 69.92 33.89 8.01 70.83 32.67 7.97 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 120 67.67 33.59 7.10 68.09 33.95 6.26 65.84 32.57 5.93 66.34 33.00 4.90 66.25 33.22 7.23 65.38 34.44 7.58 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 121 64.96 31.57 5.98 64.74 31.22 6.89 63.09 30.42 5.03 62.84 30.07 6.20 64.38 31.07 4.74-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMETA 122 62.32 30.24 3.93 62.71 30.63 3.10 61.10 28.50 2.83 61.62 28.78 1.68 61.06 29.57 3.90 59.99 30.58 3.60 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 123 60.59 27.29 3.17 60.33 27.15 4.13 59.40 25.25 2.51 58.97 25.22 3.65 60.44 26.27 2.15 61.78 25.62 1.91 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 124 58.96 24.45 1.55 59.26 24.68 0.62 58.93 22.09 1.60 59.67 22.03 0.63 58.11 23.34 1.84 56.95 23.39 0.89 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 125 58.83 21.10 2.48 58.23 21.29 3.26 58.80 18.94 1.34 57.65 19.25 1.00 59.59 19.86 2.26 60.04 19.17 3.56 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 126 59.44 17.85 0.92 60.32 17.68 1.35 57.75 16.24 0.59 57.10 15.49 -0.07 58.90 16.98 -0.08 59.96 16.05 -0.66 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 127 57.45 16.42 1.87 58.04 17.04 2.39 55.26 16.74 2.62 54.30 16.50 3.40 56.28 15.69 2.40 56.54 14.99 3.72 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 128 55.44 17.91 2.00 56.31 18.00 1.50 54.45 19.94 3.25 53.47 20.61 3.47 54.44 18.97 2.07-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 129 55.52 20.06 4.02 56.33 19.58 3.68 56.27 22.13 5.08 57.48 22.14 4.72 55.48 20.84 5.27 56.03 20.00 6.47 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 130 55.58 23.26 5.31 54.62 23.12 5.55 57.17 24.88 6.44 56.71 24.80 7.54 56.27 24.58 5.18 55.34 25.59 4.95 2 0 1000.00-999 ?-999 ?-999 ? mTRP^A 131 58.48 25.08 6.26 58.81 24.98 5.32 59.79 26.85 7.23 59.59 27.49 6.16 59.32 25.42 7.34 60.52 24.57 7.31 3 0 1000.00-999 ?-999 ?-999 ? mMETA 132 60.26 27.39 8.35 59.98 26.92 9.19 62.35 28.10 9.14 62.33 27.36 10.15 61.11 28.53 8.39 60.47 29.65 9.12 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 133 63.46 28.50 8.59 63.37 28.91 7.68 65.15 29.80 9.55 65.04 30.70 8.66 64.68 28.36 9.28 65.60 27.65 8.40 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 134 65.65 30.03 10.76 65.84 29.24 11.33 66.93 31.47 12.17 66.83 30.89 13.25 65.87 31.41 11.16 64.62 31.95 11.77 2 0 1000.00-999 ?-999 ?-999 ? mCYH^A 135 67.97 32.19 11.84 67.95 32.53 10.90 69.32 33.93 12.94 69.80 34.53 11.99 69.02 32.43 12.82 70.24 31.59 12.50 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 136 68.95 34.51 14.09 68.49 33.88 14.72 70.60 36.22 14.74 71.15 37.17 14.22 69.18 35.90 14.41 68.36 36.28 15.59 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 137 71.18 35.38 15.60 70.59 34.59 15.81 73.61 35.49 15.18 73.77 36.39 14.38 72.49 35.56 16.20 72.71 34.49 17.28 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 138 74.37 34.41 15.22 74.04 33.70 15.84 75.84 32.81 14.04 76.65 32.47 13.17 75.58 34.29 14.40 76.73 34.85 15.22 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 2 69.10 24.99 23.29 69.38 24.49 24.11 67.71 24.98 21.08 66.94 24.16 21.51 68.67 25.75 22.06 69.88 26.39 21.32 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 3 67.80 25.22 19.79 68.66 25.66 19.53 65.30 25.17 19.32 64.80 24.49 20.23 66.75 24.89 18.83 66.86 23.47 18.40 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 4 64.60 26.16 18.75 65.03 26.64 17.99 62.30 26.00 18.13 62.50 26.38 16.94 63.27 26.44 19.28 63.18 27.91 19.52 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 5 61.34 25.12 18.39 61.35 24.68 19.28 59.21 25.87 17.71 58.78 25.95 18.86 60.35 24.88 17.35 59.81 23.43 17.36 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 6 58.69 26.60 16.72 59.10 26.40 15.83 56.65 27.67 15.75 57.07 27.99 14.65 57.60 27.59 16.95 58.14 29.05 17.25 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 7 55.40 27.37 15.96 55.20 27.15 16.92 54.10 28.84 14.43 53.86 29.69 15.26 54.42 27.38 14.88 53.18 26.70 15.53 3 0 1000.00-999 ?-999 ?-999 ? mTYR^B 8 54.14 29.13 13.13 54.36 28.35 12.54 52.53 30.47 11.91 52.43 29.96 10.80 53.87 30.50 12.64 54.98 30.94 11.67 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 9 51.51 31.05 12.51 51.73 31.43 13.40 50.08 32.31 10.95 50.54 33.38 11.24 50.20 31.11 11.92 49.20 31.24 13.08 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 10 49.40 32.15 9.82 49.17 31.20 9.64 47.56 33.60 8.89 46.81 32.68 8.64 49.05 33.34 8.93 49.52 33.13 7.52 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 11 47.14 34.83 9.15 47.87 35.50 9.21 45.39 36.03 8.20 46.29 36.56 7.47 45.73 35.15 9.35 45.49 35.89 10.65 3 0 1000.00-999 ?-999 ?-999 ? mASN.B 12 44.08 36.17 7.97 43.46 35.71 8.60 43.06 38.26 7.35 41.87 38.46 7.27 43.67 37.00 6.83 42.71 36.27 5.91 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 13 43.88 39.08 8.01 44.79 38.70 8.19 43.14 40.46 9.85 43.16 41.56 10.43 43.48 40.41 8.41-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN~B 14 42.86 39.31 10.46 42.95 38.50 9.88 43.49 38.77 12.88 43.15 38.16 13.88 42.44 39.31 11.89 41.13 38.60 12.10 2 0 1000.00-999 ?-999 ?-999 ? mCYH~B 15 44.75 39.04 12.63 44.91 39.63 11.84 45.73 39.18 14.89 45.72 38.51 15.93 45.79 38.49 13.49 47.09 38.74 12.79 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 16 45.60 40.51 14.92 45.61 40.96 14.02 44.38 40.68 17.14 44.65 40.31 18.28 45.43 41.23 16.19 45.14 42.72 15.93 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 17 43.17 40.68 16.63 43.13 41.02 15.69 42.28 38.86 17.95 42.04 38.66 19.14 42.00 40.23 17.40 40.69 40.27 16.59 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 18 42.85 37.94 17.14 43.05 38.29 16.22 44.22 36.50 18.70 43.96 36.06 19.82 43.15 36.55 17.61 43.55 35.70 16.48 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 19 45.43 36.98 18.40 45.54 37.35 17.48 46.08 37.66 20.66 46.46 37.25 21.77 46.48 36.95 19.38 47.80 37.42 18.79 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 20 45.30 38.71 20.53 45.20 39.06 19.60 43.93 38.19 22.41 44.38 37.71 23.43 44.66 39.28 21.72 43.77 40.43 21.37 2 0 1000.00-999 ?-999 ?-999 ? mCYH~B 21 42.85 37.72 21.81 42.61 38.15 20.94 43.06 35.50 23.06 42.88 35.03 24.24 42.13 36.65 22.46 41.07 36.17 21.48 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 22 44.08 35.10 22.27 44.15 35.58 21.40 45.69 34.53 23.91 45.73 33.77 24.94 45.00 34.08 22.65 46.02 33.85 21.57 3 0 1000.00-999 ?-999 ?-999 ? mHIS~B 23 46.21 35.76 23.85 46.09 36.20 22.97 46.11 36.30 26.25 46.65 35.94 27.30 46.90 36.39 24.98 47.10 37.84 24.71 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 24 44.82 36.60 26.13 44.52 36.84 25.21 43.81 35.19 27.85 44.18 34.98 29.01 43.94 36.57 27.25 42.59 37.07 26.86 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 25 43.35 34.23 27.06 43.25 34.51 26.11 44.19 32.06 28.05 44.16 31.44 29.11 43.01 32.90 27.58 42.10 32.20 26.56 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 26 45.25 32.08 27.27 45.18 32.72 26.49 47.28 32.02 28.49 48.27 31.47 28.98 46.39 31.28 27.50 47.10 31.13 26.17 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 27 46.97 33.29 28.74 46.10 33.62 28.38 49.21 34.37 28.82 49.24 34.67 27.64 47.88 34.10 29.49-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.B 28 50.32 34.29 29.55 50.18 33.90 30.46 51.80 36.19 28.55 50.93 37.03 28.76 51.63 34.74 29.05-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^B 29 52.95 36.43 27.89 53.50 35.60 27.80 53.41 37.87 25.82 54.06 37.13 25.08 53.40 37.72 27.34 54.83 37.94 27.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 30 52.77 38.92 25.37 52.32 39.48 26.07 53.89 40.13 23.70 53.74 41.33 23.94 52.72 39.22 23.99 51.40 39.97 23.82 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 31 55.07 39.62 23.28 55.14 38.62 23.31 55.83 40.75 21.40 54.99 40.09 20.82 56.15 40.50 22.83 57.39 39.67 22.88 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 32 56.37 41.73 20.75 57.04 42.29 21.24 54.34 41.98 19.10 53.63 41.03 19.36 55.84 41.84 19.31 56.33 40.65 18.51 2 0 1000.00-999 ?-999 ?-999 ? mMETB 33 53.87 43.11 18.51 54.46 43.90 18.62 52.90 44.23 16.79 52.35 45.28 16.86 52.60 43.14 17.78 51.49 43.48 18.78 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 34 53.83 43.99 15.88 54.22 43.07 15.91 53.23 45.08 13.68 53.04 44.11 12.93 54.23 45.01 14.92 55.68 44.70 14.54 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 35 52.57 46.22 13.48 52.69 46.92 14.17 52.56 46.72 11.10 53.69 47.13 11.27 51.73 46.33 12.27 50.79 47.46 12.61 3 0 1000.00-999 ?-999 ?-999 ? mPHE.B 36 52.05 46.61 9.89 51.14 46.21 9.86 53.15 48.54 8.72 54.20 48.92 8.34 52.84 47.05 8.71 52.10 46.73 7.41 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 37 52.18 49.34 9.11 51.34 48.87 9.37 53.60 51.28 9.80 54.26 52.17 9.27 52.33 50.78 9.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.B 38 53.96 50.68 10.94 53.30 49.98 11.23 56.37 50.07 11.29 57.41 50.12 11.92 55.19 51.01 11.67 54.91 51.04 13.18 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 39 56.18 49.24 10.27 55.25 49.26 9.90 58.38 49.15 9.07 58.20 50.32 8.68 57.22 48.38 9.71 56.61 47.50 8.61 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 40 59.58 48.48 8.94 59.60 47.63 9.47 60.61 48.40 6.74 61.59 47.98 6.12 60.75 48.89 8.15 61.93 48.17 8.82 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 41 59.38 48.41 6.26 58.68 48.71 6.90 57.81 48.71 4.48 57.84 49.83 3.94 59.10 48.02 4.91 58.99 46.49 4.82 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 46 54.42 48.84 0.82 55.10 49.21 1.45 52.02 48.08 0.52 51.88 47.80 1.70 53.42 48.29 -0.09 54.01 46.94 -0.51 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 47 51.03 48.22 -0.35 51.37 48.51 -1.25 49.08 48.75 1.10 48.71 48.18 2.10 49.61 48.01 -0.09 49.30 46.55 -0.05 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 48 49.04 50.07 0.97 49.46 50.39 0.12 47.03 50.45 2.12 46.65 49.50 1.41 48.44 50.95 1.96 48.43 52.39 1.46 2 0 1000.00-999 ?-999 ?-999 ? mTRP.B 49 46.23 51.06 2.99 46.64 51.86 3.44 44.90 49.27 3.99 43.86 48.69 4.20 44.87 50.59 3.26 44.03 50.45 1.98 3 0 1000.00-999 ?-999 ?-999 ? mLYS.B 50 46.07 48.77 4.38 46.85 49.30 4.07 47.23 47.71 6.28 48.33 47.26 6.08 46.16 47.53 5.20 46.43 46.24 4.32 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 51 46.92 48.38 7.41 46.04 48.85 7.38 47.50 47.45 9.69 47.08 47.83 10.81 47.86 48.40 8.57 48.14 49.78 9.02 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 52 47.71 46.19 9.28 48.06 46.16 8.35 48.85 44.42 10.42 49.86 45.13 10.50 47.52 44.97 9.94 47.08 44.04 8.81 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 53 48.83 43.14 10.75 48.10 42.58 10.37 51.00 42.09 10.82 50.78 41.03 10.17 49.88 42.65 11.64 49.36 41.63 12.68 3 0 1000.00-999 ?-999 ?-999 ? mMETB 54 52.13 42.79 10.77 52.11 43.69 11.21 53.93 41.08 10.89 54.47 40.11 10.27 53.30 42.28 10.13 54.36 43.33 10.06 2 0 1000.00-999 ?-999 ?-999 ? mHIS^B 55 53.89 41.14 12.23 53.40 41.91 12.64 54.04 40.16 14.41 54.06 41.22 15.04 54.54 40.13 13.01 56.08 40.29 13.06 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 56 53.65 39.00 14.95 53.71 38.19 14.36 53.69 37.77 17.07 53.71 36.66 16.54 53.17 38.99 16.33 51.71 38.96 16.42 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 57 54.08 37.96 18.33 53.93 38.85 18.75 54.17 36.74 20.33 54.21 37.72 21.06 54.68 36.82 18.96 56.21 36.67 18.91 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 58 53.65 35.57 20.63 53.65 34.91 19.88 53.87 34.18 22.78 54.04 33.01 22.39 53.11 35.28 21.95 51.70 34.85 21.78 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 59 54.37 34.56 23.93 54.11 35.47 24.26 54.62 33.27 25.94 54.30 34.14 26.74 55.24 33.64 24.62 56.61 34.32 24.85 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 60 54.38 31.98 26.13 54.64 31.43 25.33 54.74 30.34 27.93 54.93 29.22 27.39 53.80 31.41 27.34 52.58 30.69 26.99 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 61 55.37 30.67 29.04 55.09 31.53 29.46 57.53 29.69 28.61 58.12 30.67 28.23 56.38 29.81 29.58-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.B 62 57.87 28.46 28.21 57.29 27.73 28.57 58.47 28.01 25.91 59.26 27.83 25.01 58.98 28.24 27.34 59.75 27.04 27.83 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 63 57.16 28.08 25.68 56.62 28.23 26.51 56.16 29.27 23.61 56.04 30.28 24.26 56.57 27.95 24.32 55.35 27.05 24.47 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 64 55.92 29.25 22.31 56.08 28.40 21.82 54.61 30.23 20.55 54.55 29.13 20.05 55.47 30.45 21.72 56.63 31.27 21.37 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 65 53.93 31.30 20.11 54.02 32.09 20.71 53.47 32.46 18.12 53.69 33.50 18.75 53.13 31.27 18.86 51.64 31.29 19.16 3 0 1000.00-999 ?-999 ?-999 ? mMETB 66 53.52 32.35 16.80 53.33 31.44 16.45 52.80 33.73 14.87 52.24 32.72 14.36 53.83 33.52 15.98 55.21 33.40 15.43 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 67 52.61 34.99 14.47 53.07 35.72 14.97 51.92 36.54 12.65 52.71 37.36 13.05 51.78 35.22 13.36 50.35 34.94 13.77 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 68 51.18 36.69 11.57 50.75 35.84 11.27 49.74 37.82 10.01 49.30 36.70 9.77 51.00 37.94 10.86 52.20 38.19 9.94 2 0 1000.00-999 ?-999 ?-999 ? mASP^B 69 49.18 38.95 9.53 49.48 39.80 9.98 48.88 38.74 7.10 49.97 39.22 6.90 48.21 38.91 8.44 47.32 40.09 8.46 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 70 48.24 38.03 6.16 47.30 37.78 6.38 49.28 38.90 4.06 48.55 39.92 4.15 49.02 37.69 4.91 48.38 36.55 4.11 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 71 50.31 38.80 3.22 50.86 37.97 3.30 49.29 39.92 1.31 48.69 38.88 1.05 50.53 39.92 2.25 51.87 39.78 1.51 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 72 48.87 41.09 0.83 49.37 41.94 1.03 47.91 40.39 -1.37 47.03 39.78 -1.93 47.67 40.93 0.05 47.05 42.33 0.08 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 73 49.10 40.55 -1.94 49.75 41.10 -1.41 49.00 38.47 -3.18 48.12 38.03 -3.91 49.39 39.94 -3.24 50.88 40.08 -3.64 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 74 49.66 37.73 -2.28 50.20 38.29 -1.65 48.17 35.85 -1.84 47.54 36.46 -0.97 49.59 36.27 -2.21 50.59 35.75 -1.17 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 75 47.63 34.83 -2.54 48.20 34.46 -3.28 46.33 33.60 -0.87 47.37 33.10 -0.44 46.30 34.32 -2.22 46.01 33.35 -3.37 3 0 1000.00-999 ?-999 ?-999 ? mTYR.B 76 45.20 33.56 -0.20 44.41 33.92 -0.69 44.22 31.91 0.94 43.08 32.13 0.48 45.14 33.04 1.13 44.45 34.07 2.01 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 77 44.74 30.69 1.17 45.74 30.69 1.17 44.07 29.41 2.88 45.16 29.68 3.39 43.92 29.49 1.41 44.53 28.24 0.78 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 78 43.00 29.09 3.59 42.21 28.83 3.03 44.13 28.39 5.77 45.14 28.09 5.19 43.02 29.14 5.07-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE.B 79 43.96 28.10 7.03 43.11 28.44 7.42 44.44 25.92 7.77 43.37 25.71 8.34 44.96 27.33 7.78 45.09 27.79 9.28 3 0 1000.00-999 ?-999 ?-999 ? mLYS.B 80 45.14 24.93 7.21 46.06 25.15 6.89 45.20 22.46 7.76 44.67 21.90 8.74 44.51 23.63 7.11 44.21 23.25 5.69 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 81 46.31 21.99 7.23 46.82 22.61 6.64 47.22 20.31 8.98 48.13 19.45 9.15 46.66 20.60 7.58-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mCYH^B 82 46.67 21.00 9.98 45.70 21.25 9.87 46.66 21.94 12.26 45.72 22.73 12.04 47.44 21.34 11.12 48.48 22.36 10.72 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 83 47.09 21.60 13.48 47.91 21.02 13.45 47.39 22.21 15.89 48.33 21.54 16.02 46.42 22.02 14.73 45.29 21.08 15.14 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 84 47.19 23.24 16.65 46.45 23.85 16.36 47.39 22.61 18.92 46.22 22.71 19.31 47.96 23.47 17.79 47.86 24.89 18.17 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 85 48.24 21.77 19.44 49.16 21.75 19.06 48.15 21.70 21.81 49.31 22.06 22.05 47.87 20.97 20.47 48.76 19.78 20.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 86 47.15 21.90 22.69 46.23 21.70 22.33 47.54 21.24 25.09 46.62 20.45 25.19 47.45 22.37 24.08 46.42 23.41 24.53 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 87 48.61 21.08 25.82 49.36 21.71 25.61 48.69 20.66 28.14 49.61 21.44 28.32 48.59 20.01 26.84 49.76 19.08 26.70 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 88 47.76 20.35 29.04 47.02 19.75 28.70 47.37 19.83 31.46 46.98 18.74 31.15 47.82 20.84 30.40 47.13 22.22 30.50 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 89 47.47 20.22 32.71 47.53 21.22 32.76 46.10 19.03 34.44 45.87 18.00 35.05 47.49 19.34 33.90 48.28 20.03 35.03 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 90 45.17 19.93 34.24 45.41 20.70 33.64 42.81 19.56 33.78 42.78 20.17 32.67 43.91 19.79 34.85 43.63 21.05 35.68 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 91 41.87 18.70 34.18 42.11 18.17 35.00 39.86 19.85 33.59 39.00 20.09 32.76 40.62 18.52 33.51 39.90 17.45 34.28 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 92 40.16 20.74 34.55 40.86 20.45 35.20 40.09 22.86 33.55 39.39 23.46 32.73 39.46 22.04 34.59 39.59 22.74 35.91 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 93 41.42 22.88 33.57 41.86 22.26 34.23 41.74 23.44 31.21 41.40 24.38 30.42 42.15 23.77 32.67 43.65 23.85 32.94 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 94 41.66 22.15 30.88 42.02 21.50 31.56 39.71 22.44 29.35 39.55 23.17 28.36 41.08 21.76 29.61 40.92 20.37 29.57 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 95 38.74 22.22 30.26 39.02 21.61 31.00 37.53 24.31 29.98 36.90 24.86 29.08 37.41 22.82 30.17 36.57 22.48 31.42 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 96 38.35 24.98 30.80 38.83 24.43 31.48 38.86 26.78 29.18 38.15 27.56 28.49 38.48 26.43 30.63 39.44 27.08 31.61 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 97 39.94 26.14 28.68 40.30 25.40 29.26 39.70 26.12 26.27 39.57 26.90 25.35 40.53 26.51 27.41 41.89 25.89 27.22 3 0 1000.00-999 ?-999 ?-999 ? mPHE~B 98 39.10 24.94 26.35 39.36 24.45 27.18 36.98 25.34 25.10 36.55 25.57 23.93 38.17 24.43 25.32 37.63 23.06 25.69 3 0 1000.00-999 ?-999 ?-999 ? mASN~B 99 36.47 25.85 26.23 36.97 25.60 27.06 35.55 28.13 25.76 34.76 28.61 24.93 35.31 26.70 26.26 34.72 26.69 27.65 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 100 36.61 28.80 26.22 37.17 28.31 26.89 37.21 30.16 24.28 36.58 30.90 23.52 36.87 30.17 25.71 37.98 30.88 26.42 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 101 38.19 29.31 23.90 38.49 28.65 24.58 37.74 28.85 21.52 37.89 29.10 20.29 38.73 29.39 22.57 40.01 28.58 22.51 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 102 36.74 28.07 21.98 36.70 27.89 22.96 34.66 28.46 20.84 33.98 28.29 19.83 35.81 27.55 21.01 35.33 26.12 21.32 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 103 34.44 29.42 21.76 35.14 29.50 22.47 33.23 30.87 20.32 34.29 31.26 19.92 33.20 30.28 21.68 33.15 31.41 22.69 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 104 32.11 30.86 19.59 31.33 30.53 20.12 32.76 30.39 17.19 32.91 30.71 16.02 32.02 31.27 18.17-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.B 105 33.25 29.25 17.64 33.05 29.03 18.59 33.24 27.33 16.07 32.24 27.57 15.45 34.04 28.43 16.75-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^B 106 33.69 26.10 16.25 34.37 26.01 16.97 33.90 23.81 16.11 35.11 23.79 16.25 33.24 24.99 15.46 33.77 25.14 14.05 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 107 33.13 22.82 16.54 32.15 22.92 16.36 33.91 20.49 16.31 33.29 20.40 15.29 33.70 21.69 17.23 32.82 21.29 18.32 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 108 34.83 19.59 16.61 35.34 19.75 17.45 35.17 17.23 16.58 35.03 16.12 16.09 35.03 18.47 15.73 36.25 18.64 14.82 2 0 1000.00-999 ?-999 ?-999 ? mMETB 109 35.47 17.42 17.86 35.73 18.36 18.08 35.06 17.05 20.12 35.83 17.85 20.57 35.40 16.36 18.83 36.73 15.69 18.96 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 110 33.85 16.84 20.69 33.24 16.22 20.20 34.42 17.09 23.03 35.12 16.10 22.88 33.53 17.51 21.94 32.11 17.04 22.21 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 111 34.42 17.83 24.13 33.72 18.54 24.16 34.97 16.34 25.99 33.85 16.26 26.47 35.38 17.59 25.17 35.58 18.85 26.04 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 112 35.85 15.36 26.10 36.72 15.54 25.65 36.67 13.12 26.93 37.75 13.32 26.32 35.53 14.14 26.84-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO^B 113 36.46 12.02 27.70 35.57 11.96 28.17 37.72 10.22 26.47 36.81 10.21 25.63 37.58 11.01 27.78 37.20 10.13 28.99 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 114 38.88 9.60 26.29 39.50 9.72 27.06 40.18 7.96 25.78 40.52 8.31 26.93 39.22 8.84 25.09 40.10 9.64 24.08 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 115 40.74 6.95 25.08 40.39 6.87 24.15 43.11 6.64 25.98 43.81 6.11 26.87 41.76 6.04 25.63 41.97 4.79 24.78 3 0 1000.00-999 ?-999 ?-999 ? mTRP^B 116 43.48 7.73 25.30 42.84 8.00 24.58 44.65 9.71 26.43 45.67 10.36 26.57 44.72 8.45 25.61 45.39 8.89 24.35 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 117 43.47 10.09 26.89 42.70 9.49 26.67 42.13 11.35 28.59 41.04 10.84 28.26 43.35 11.32 27.67 43.40 12.57 26.76 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 118 42.35 11.95 29.76 43.31 12.18 29.93 40.40 13.15 30.04 39.25 12.85 29.95 41.33 12.23 30.71 41.90 12.93 31.87 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 119 40.88 14.31 29.59 41.83 14.52 29.83 40.69 15.52 27.52 41.88 15.55 27.49 39.99 15.15 28.80 39.46 16.37 29.58 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 120 39.92 15.76 26.47 38.94 15.81 26.69 39.31 16.54 24.24 38.15 16.30 24.44 40.42 15.93 25.12 40.87 14.57 24.53 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 121 39.68 17.36 23.26 40.66 17.51 23.20 39.40 18.61 21.17 40.41 19.23 21.32 38.72 17.97 22.36-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMETB 122 38.81 18.48 19.98 38.07 17.81 19.95 38.20 20.26 18.52 37.04 19.94 18.67 39.22 19.25 18.83 39.39 18.38 17.64 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 123 38.64 21.46 18.08 39.63 21.55 18.13 38.54 23.56 16.66 39.71 23.39 16.30 37.80 22.54 17.56 37.15 23.26 18.72 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 124 37.88 24.65 16.30 36.97 24.76 16.70 37.98 26.91 15.87 36.81 27.11 15.91 38.48 25.60 15.39 37.92 25.40 14.01 2 0 1000.00-999 ?-999 ?-999 ? mASP^B 125 38.85 27.82 16.25 39.82 27.61 16.15 37.65 29.95 15.70 37.86 29.84 14.48 38.32 29.04 16.79 39.43 29.75 17.58 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 126 36.80 30.84 16.19 36.54 30.66 17.14 37.30 32.44 14.39 36.90 32.95 13.36 36.29 31.95 15.42 35.94 33.08 16.40 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 127 38.60 32.34 14.66 38.85 31.81 15.47 40.13 31.98 12.77 41.01 32.32 11.95 39.55 32.98 13.77 40.67 33.72 14.53 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 128 39.68 30.75 12.79 39.03 30.51 13.51 41.31 28.94 12.17 41.81 28.19 11.32 40.18 29.86 11.77-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^B 129 41.69 28.92 13.45 41.16 29.52 14.05 42.25 26.82 14.55 41.44 26.83 15.50 42.77 28.10 13.92 43.69 28.95 14.95 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 130 42.75 25.69 14.08 43.39 25.82 13.31 43.09 24.11 16.02 44.31 24.15 16.01 42.33 24.38 14.72 42.59 23.26 13.76 2 0 1000.00-999 ?-999 ?-999 ? mTRP^B 131 42.41 23.87 17.12 41.42 23.83 17.00 42.84 22.31 18.80 41.80 21.79 18.41 43.13 23.68 18.39 42.63 24.60 19.48 3 0 1000.00-999 ?-999 ?-999 ? mMETB 132 43.75 21.68 19.54 44.66 22.09 19.53 43.64 20.91 21.72 44.56 21.66 22.03 43.42 20.50 20.29 44.32 19.34 19.94 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 133 42.78 20.43 22.60 41.97 20.04 22.17 43.24 19.07 24.64 42.52 18.11 24.30 43.02 20.48 24.04 41.89 21.19 24.73 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 134 44.26 18.91 25.47 44.73 19.76 25.71 45.06 17.61 27.43 45.80 18.48 27.86 44.64 17.57 25.98 45.78 17.00 25.19 2 0 1000.00-999 ?-999 ?-999 ? mCYH^B 135 44.60 16.65 28.21 44.06 15.96 27.73 45.11 15.18 29.87 44.64 14.39 29.13 44.85 16.61 29.62 43.60 16.95 30.36 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 136 45.79 14.81 30.93 46.14 15.54 31.52 46.16 13.00 32.67 46.81 12.00 32.99 45.99 13.39 31.17 47.13 12.92 30.25 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 137 45.55 13.77 33.59 45.01 14.52 33.21 44.46 13.73 35.98 43.61 12.85 36.19 45.68 13.48 35.04 46.96 14.13 35.60 2 0 1000.00-999 ?-999 ?-999 ? mASP^B 138 44.41 14.91 36.57 45.13 15.54 36.27 42.12 15.74 36.89 41.77 16.93 36.98 43.40 15.27 37.55 43.96 16.33 38.51 2 0 1000.00-999 ?-999 ?-999 ?