HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-NOV-06 2O2A COMPND HYPOTHETICAL PROTEIN GBS1413; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; SOURCE 3 ORGANISM_TAXID: 208435; SOURCE 4 STRAIN: 2603V/R; SOURCE 5 GENE: GI:22534369; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 73 8 HET MSE B 1 8 HET MSE B 73 8 HET MSE C 1 8 HET MSE C 73 8 HET MSE D 1 8 HET MSE D 73 8 mALA.A 0 31.44 21.12 136.84 30.92 21.85 137.28 31.33 18.86 135.73 30.29 18.57 136.32 32.22 20.03 136.18 33.33 19.53 137.07 2 0 1000.00-999 ?-999 ?-999 ? mMETA 1 31.76 18.21 134.66 32.70 18.44 134.40 31.08 15.92 134.65 32.17 15.56 135.11 30.96 17.25 133.93 31.51 17.18 132.51 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 2 29.96 15.22 134.77 29.17 15.64 134.34 29.98 12.84 134.45 29.17 12.80 133.53 29.91 13.94 135.49 28.61 13.82 136.29 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 3 30.96 11.95 134.62 31.46 12.06 135.48 31.51 9.59 134.39 32.22 9.55 135.39 31.28 10.93 133.66 32.57 11.27 132.84 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 4 30.87 8.54 133.89 30.16 8.78 133.22 31.98 6.55 133.13 31.55 6.53 131.96 31.16 7.16 134.27 29.86 6.33 134.50 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 5 33.16 6.05 133.49 33.29 6.00 134.48 34.42 4.14 132.55 34.47 3.53 133.60 34.16 5.64 132.52 35.46 6.37 132.75 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 6 34.57 3.56 131.37 34.38 4.16 130.60 36.50 2.09 131.41 37.21 3.11 131.53 34.98 2.19 131.24 34.48 1.65 129.90 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 7 37.01 0.87 131.46 36.33 0.15 131.37 39.23 1.29 130.47 38.86 1.15 129.31 38.46 0.64 131.63 38.69 -0.87 131.63 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 8 40.29 2.03 130.79 40.41 2.13 131.77 41.64 1.50 128.85 41.84 0.38 129.28 41.18 2.62 129.78 42.42 3.25 130.44 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 9 41.77 1.79 127.57 41.51 2.72 127.33 43.56 1.31 125.99 43.58 2.37 125.38 42.26 0.82 126.60 41.21 0.57 125.54 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 10 44.64 0.55 126.16 44.49 -0.25 126.75 45.95 0.27 124.13 46.19 -0.95 123.96 45.94 0.88 125.53 47.17 0.36 126.34 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 11 45.61 1.10 123.15 45.29 1.99 123.47 47.17 0.43 121.36 47.49 -0.60 120.80 45.70 0.70 121.74 45.14 1.77 120.78 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 12 48.04 1.35 121.75 47.65 2.06 122.33 50.36 2.08 122.33 50.04 3.20 122.72 49.45 1.29 121.36 49.58 1.89 119.97 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 13 51.48 1.46 122.69 51.53 0.50 122.42 53.87 1.67 122.93 54.24 0.50 123.12 52.55 2.16 123.42 52.43 1.97 124.94 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 14 54.60 2.59 122.30 54.16 3.49 122.26 56.97 3.11 122.37 56.83 4.32 122.47 55.90 2.29 121.72 55.89 2.59 120.23 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 15 58.02 2.44 122.79 57.90 1.44 122.77 60.31 2.77 122.22 60.52 1.61 121.90 59.24 3.09 123.24 59.63 2.56 124.64 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 16 60.96 3.79 121.69 60.65 4.67 122.05 63.15 4.54 121.09 62.95 5.74 121.33 61.99 3.65 120.68 61.49 4.10 119.30 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 17 64.33 3.95 121.25 64.29 2.95 121.28 65.63 5.70 120.18 65.18 5.38 119.09 65.58 4.73 121.36 66.78 3.82 121.36 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 18 66.17 6.89 120.37 66.47 7.09 121.31 67.37 7.39 118.30 68.44 7.06 118.75 66.26 7.81 119.22 66.46 9.25 119.67 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 19 67.11 7.39 117.00 66.15 7.56 116.77 68.38 8.43 115.27 67.50 8.93 114.54 68.15 7.14 116.01 67.81 5.98 115.08 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 20 69.56 8.99 115.46 70.20 8.45 115.99 69.96 10.29 113.35 69.69 11.29 112.68 69.84 10.32 114.90 71.06 10.92 115.58 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 21 70.30 9.12 112.80 70.52 8.40 113.47 68.93 8.92 110.69 68.74 9.51 109.60 70.33 8.92 111.36 71.08 7.61 111.06 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 22 67.99 8.23 111.32 68.35 7.69 112.09 66.07 9.69 110.99 65.41 10.15 110.05 66.58 8.25 110.95 65.75 7.37 111.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 23 66.39 10.39 112.06 66.93 9.88 112.73 66.59 12.69 111.17 65.93 13.60 110.68 65.99 11.80 112.23 66.32 12.28 113.64 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 24 67.81 12.39 110.78 68.22 11.61 111.25 67.78 12.95 108.39 67.69 13.89 107.61 68.49 13.14 109.75 69.97 12.72 109.72 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 25 67.25 11.76 108.14 67.38 11.08 108.86 65.05 11.90 106.93 64.51 12.33 105.92 66.54 11.48 106.88 66.64 9.99 106.50 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 26 64.39 11.77 108.09 64.98 11.50 108.85 62.49 13.17 109.12 61.30 13.40 109.30 62.94 12.02 108.22 62.23 10.72 108.62 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 27 63.44 13.93 109.66 64.37 13.68 109.40 63.22 14.68 112.03 63.00 13.54 112.43 63.10 15.03 110.57-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.A 28 63.57 15.67 112.85 63.84 16.52 112.38 62.11 15.41 114.77 61.29 16.26 114.43 63.57 15.51 114.29 64.29 16.69 114.96 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 29 61.77 14.38 115.56 62.49 13.74 115.82 60.01 15.36 116.98 60.89 15.87 117.68 60.37 14.27 115.96 60.28 12.85 116.56 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 30 58.73 15.74 117.01 58.14 15.24 116.37 57.20 16.22 118.90 56.31 15.47 118.49 58.24 16.80 117.92 57.66 17.97 117.11 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 31 57.35 16.55 120.18 58.18 17.08 120.39 55.03 16.76 120.85 54.91 17.97 120.62 56.39 16.16 121.18 56.79 16.64 122.57 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 32 54.00 15.92 120.82 54.25 14.98 121.02 51.58 15.44 121.13 51.76 14.23 121.14 52.65 16.37 120.52 52.48 16.42 119.00 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 33 50.49 16.04 121.62 50.56 17.04 121.62 48.10 15.77 121.36 47.92 16.99 121.20 49.32 15.29 122.11 49.08 15.54 123.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 34 47.28 14.85 120.87 47.62 13.92 120.97 44.89 14.32 120.79 44.94 13.10 120.64 46.01 15.21 120.24 46.04 15.04 118.71 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 35 43.89 14.97 121.40 44.05 15.95 121.51 41.62 14.47 120.80 41.39 15.58 120.32 42.69 14.30 121.88 42.17 14.89 123.23 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 36 41.01 13.37 120.40 41.39 12.53 120.80 38.83 12.45 120.07 39.04 11.88 121.16 39.89 13.38 119.47 40.28 12.90 118.04 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 37 37.69 12.35 119.40 37.69 12.84 118.52 35.88 10.73 118.84 35.76 11.14 117.67 36.54 11.60 119.90 35.52 12.57 120.51 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 38 35.47 9.53 119.26 35.87 9.26 120.13 33.10 8.60 119.16 32.89 7.82 120.15 34.51 8.69 118.50 35.00 7.25 118.41 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 39 32.11 9.32 118.63 32.37 9.89 117.85 30.13 7.82 119.14 30.12 7.23 118.06 30.74 9.22 119.26 29.77 10.25 118.71 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 40 29.64 7.30 120.27 29.78 7.90 121.05 27.42 6.12 120.24 26.86 5.80 119.20 28.96 5.97 120.38 29.35 5.32 121.69 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 41 26.75 6.62 121.28 27.26 6.64 122.14 24.98 8.19 122.14 25.67 8.46 123.11 25.37 7.10 121.15 24.35 5.93 121.27 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 42 23.84 8.80 121.85 23.57 8.73 120.88 21.89 8.62 123.27 21.22 7.99 122.45 23.05 9.51 122.83 22.50 10.82 122.27 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 43 21.66 8.57 124.56 22.37 9.02 125.11 19.59 9.06 125.63 19.81 9.61 126.72 20.49 7.94 125.13 20.91 7.01 126.26 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 44 18.60 9.39 124.81 18.54 8.80 124.01 16.88 10.31 126.30 16.69 11.25 127.08 17.68 10.52 125.05 16.73 10.74 123.87 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 45 16.40 9.09 126.51 16.61 8.43 125.79 16.48 8.99 128.98 16.01 9.62 129.95 15.63 8.79 127.71 15.06 7.37 127.64 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 46 17.71 8.47 128.99 17.95 8.00 128.14 19.33 9.94 130.24 19.82 10.31 131.30 18.59 8.59 130.16 19.62 7.46 130.19 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 47 19.40 10.66 129.13 18.88 10.27 128.37 21.68 11.60 129.28 22.37 12.30 130.02 20.18 11.90 129.04 19.62 12.95 129.99 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 48 22.15 10.53 128.65 21.45 10.00 128.18 24.10 10.18 127.23 23.44 9.75 126.31 23.56 10.17 128.66 23.80 8.77 129.32 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 49 25.31 10.69 127.07 25.66 11.16 127.89 27.25 9.69 126.09 28.07 9.95 126.99 26.06 10.59 125.85 26.57 12.00 125.37 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 50 27.35 8.64 125.27 26.58 8.54 124.64 29.39 8.11 124.10 28.94 8.18 122.96 28.49 7.74 125.28 28.04 6.28 125.19 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 51 30.66 8.35 124.39 30.86 8.22 125.37 33.02 8.12 123.81 33.39 8.06 125.00 31.67 8.75 123.43 31.80 10.31 123.42 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 52 33.78 7.67 122.82 33.35 7.67 121.93 36.11 8.40 122.92 36.12 9.05 121.88 35.15 7.22 123.10 35.56 6.02 122.23 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 53 36.84 8.72 123.98 36.58 8.24 124.81 39.24 8.94 123.55 39.49 7.81 123.98 37.94 9.69 123.92 38.07 10.41 125.24 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 54 40.04 9.60 122.72 39.78 10.56 122.60 42.35 9.97 122.19 42.26 11.13 121.75 41.19 9.00 122.06 40.92 8.78 120.56 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 55 43.44 9.50 122.81 43.34 8.57 123.17 45.76 9.63 122.13 46.18 8.51 122.40 44.67 10.26 122.94 45.13 10.31 124.40 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 56 46.26 10.39 121.19 45.79 11.27 121.12 48.49 10.91 120.80 48.28 12.10 121.06 47.35 10.01 120.35 46.93 10.26 118.89 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 57 49.70 10.34 120.95 49.75 9.39 120.66 52.15 10.70 120.87 52.37 9.55 120.46 50.83 11.08 121.51 50.96 10.86 123.02 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 58 53.04 11.69 120.83 52.64 12.59 121.01 55.18 12.33 121.58 54.87 13.53 121.71 54.46 11.49 120.53 54.83 11.97 119.14 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 59 56.05 11.70 122.37 56.15 10.72 122.19 58.29 12.18 123.18 58.79 11.04 123.20 56.79 12.40 123.42 56.36 11.96 124.83 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 60 58.99 13.27 122.86 58.45 14.12 122.88 61.23 13.65 123.73 61.03 14.73 124.29 60.40 13.22 122.53 60.70 14.11 121.32 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 61 62.15 12.78 124.15 62.09 11.88 123.71 64.54 12.84 124.61 64.70 12.51 123.43 63.14 13.12 125.16 62.85 12.39 126.48 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 62 65.54 13.02 125.45 65.26 13.18 126.40 67.31 11.69 124.32 67.96 11.66 123.29 66.93 13.00 124.99 67.85 13.19 126.17 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 63 66.93 10.60 124.97 66.32 10.78 125.74 66.34 8.48 123.82 66.66 7.42 123.25 67.38 9.27 124.57 67.70 8.47 125.84 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 64 65.09 8.94 123.85 64.98 9.87 124.22 62.82 8.95 122.85 62.72 10.13 123.13 63.98 8.12 123.37 63.48 7.19 124.50 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 65 61.96 8.28 122.10 62.28 7.37 121.84 59.65 7.77 122.14 59.81 6.57 121.90 60.67 8.80 121.68 60.51 8.89 120.15 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 66 58.59 8.26 122.76 58.65 9.23 122.98 56.28 7.88 122.24 56.09 9.06 122.01 57.46 7.44 123.09 57.18 7.51 124.60 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 67 55.53 6.92 121.72 55.84 6.00 121.94 53.27 6.19 121.12 53.54 5.09 121.54 54.35 7.22 120.90 54.72 7.23 119.41 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 68 52.04 6.55 120.76 51.92 7.48 120.43 49.63 6.27 120.92 49.49 7.47 120.64 50.97 5.62 120.87-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^A 69 48.67 5.44 121.30 49.00 4.52 121.52 46.67 5.12 122.58 46.83 3.91 122.73 47.28 5.82 121.41 46.46 5.49 120.12 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 70 45.99 5.88 123.43 46.08 6.86 123.24 43.73 5.75 124.28 43.49 6.85 123.77 45.17 5.32 124.52 45.58 5.89 125.88 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 71 42.76 4.93 124.68 43.07 4.07 125.08 40.46 4.88 125.67 40.84 3.99 126.41 41.33 5.34 124.52 40.77 4.87 123.16 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 72 39.31 5.53 125.84 39.16 6.29 125.22 36.94 5.59 126.50 36.68 6.76 126.14 38.36 5.14 126.85 38.78 5.74 128.19 2 0 1000.00-999 ?-999 ?-999 ? mMETA 73 36.03 4.63 126.64 36.41 3.72 126.79 34.17 5.66 127.80 34.45 5.28 128.95 34.62 4.88 126.56 33.85 3.55 126.44 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 74 33.46 6.76 127.54 33.30 6.92 126.57 31.47 7.75 128.42 30.97 7.93 127.32 32.97 7.64 128.57 33.65 9.03 128.47 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 75 30.76 7.66 129.54 31.31 7.46 130.35 29.00 9.09 130.35 29.00 9.08 131.57 29.30 7.83 129.55 28.61 6.63 130.16 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 76 28.75 10.18 129.63 28.71 10.00 128.64 27.14 11.57 130.69 26.23 11.32 129.91 28.56 11.52 130.22 28.84 12.62 129.18 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 77 26.97 11.90 131.97 27.81 12.15 132.44 25.03 13.23 132.52 25.73 14.24 132.66 25.66 11.88 132.61 25.77 11.55 134.11 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 78 23.73 13.24 132.28 23.36 12.33 132.09 23.22 15.39 131.13 23.15 16.60 131.28 22.90 14.45 132.28-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 79 23.62 14.82 130.00 23.49 13.83 129.97 23.98 14.87 127.57 24.41 13.73 127.42 24.18 15.60 128.90 25.64 15.80 129.21 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 80 23.26 15.51 126.65 22.79 16.32 127.01 24.05 15.98 124.40 23.85 17.19 124.37 23.17 15.07 125.25 21.72 15.13 124.75 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 81 25.00 15.36 123.72 24.99 14.37 123.79 26.03 15.44 121.55 26.03 14.22 121.41 25.98 16.06 122.93 27.37 15.94 123.58 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 82 26.12 16.29 120.54 26.23 17.25 120.81 27.38 15.81 118.51 27.62 14.97 117.66 26.04 15.85 119.16 25.07 16.74 118.38 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 83 28.28 16.69 118.93 27.98 17.34 119.63 30.63 17.32 119.27 30.28 18.17 120.12 29.60 16.69 118.36 29.60 17.36 117.00 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 84 31.89 16.88 119.13 32.04 16.29 118.34 33.32 18.72 120.06 33.92 19.20 121.02 32.93 17.25 120.09 34.11 16.32 119.74 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 85 32.97 19.44 118.99 32.56 18.90 118.25 32.34 21.58 120.01 32.56 22.75 120.33 33.17 20.90 118.93 32.84 21.47 117.54 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 86 31.37 20.85 120.56 31.22 19.95 120.13 31.28 21.20 123.04 30.74 21.68 124.02 30.59 21.33 121.68 29.25 20.61 121.78 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 87 32.42 20.52 123.13 32.71 20.06 122.29 34.03 21.71 124.62 34.79 22.10 123.73 33.17 20.48 124.40 34.12 19.26 124.47 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 88 33.94 22.26 125.83 33.17 21.92 126.36 36.28 22.70 126.46 36.44 21.48 126.49 34.88 23.29 126.33 34.43 23.75 127.73 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 89 37.31 23.57 126.55 37.05 24.52 126.42 38.80 22.28 128.12 39.47 21.24 128.13 38.70 23.10 126.82 39.71 24.28 126.91 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 90 38.16 22.76 129.20 37.73 23.65 129.03 37.48 20.63 130.35 37.95 19.67 130.95 38.09 22.04 130.50 37.22 22.77 131.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 91 36.42 20.53 129.56 36.14 21.39 129.14 36.59 18.27 128.57 36.56 17.08 128.89 35.74 19.27 129.35 34.42 19.51 128.65 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 92 37.33 18.77 127.58 37.21 19.75 127.44 39.37 17.44 127.73 39.69 16.26 127.73 38.24 17.94 126.79 38.84 18.72 125.58 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 93 39.89 18.35 128.55 39.53 19.28 128.42 40.39 16.98 130.57 41.08 15.99 130.86 40.90 18.03 129.56 41.42 19.34 130.21 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 94 39.17 17.17 131.06 38.74 18.02 130.76 38.42 14.80 131.35 38.82 13.81 131.98 38.53 16.22 131.95 37.14 16.78 132.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 95 37.87 14.72 130.13 37.53 15.59 129.78 39.14 12.83 129.02 39.27 11.62 128.93 37.77 13.44 129.38 36.92 13.62 128.10 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 96 40.15 13.66 128.79 39.90 14.63 128.84 42.39 12.82 129.70 43.38 12.10 129.54 41.49 13.14 128.48 42.21 14.09 127.54 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 97 42.04 13.31 130.88 41.17 13.80 130.90 43.24 11.68 132.33 44.41 11.38 132.45 42.87 13.14 132.05 42.21 13.79 133.32 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 98 42.27 10.75 132.38 41.33 11.06 132.25 43.65 8.76 131.53 44.46 7.84 131.83 42.72 9.37 132.61 41.40 8.58 132.70 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 99 43.56 9.26 130.31 42.86 9.97 130.21 45.89 9.26 129.37 46.85 8.49 129.12 44.43 8.81 129.21 43.86 9.28 127.86 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 100 46.08 10.52 129.74 45.25 11.07 129.86 48.06 10.34 131.15 49.26 10.13 131.15 47.40 11.05 129.96 47.34 12.56 130.21 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 101 47.26 10.00 132.16 46.30 10.23 132.03 48.29 7.95 133.06 49.29 7.53 133.64 47.76 9.36 133.35 46.66 9.33 134.41 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 102 47.61 7.21 132.18 46.73 7.60 131.92 49.47 6.12 130.95 50.41 5.33 131.12 48.14 5.93 131.67 47.16 5.24 130.68 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 103 49.56 7.19 130.18 48.72 7.73 130.11 51.90 7.85 130.50 53.03 7.41 130.35 50.80 7.52 129.48 50.62 8.67 128.46 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 104 51.53 8.60 131.54 50.57 8.88 131.53 52.96 7.71 133.34 54.16 7.52 133.47 52.46 8.98 132.59 51.76 9.99 133.52 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 105 52.04 6.83 133.74 51.11 7.14 133.55 53.28 4.65 133.57 54.33 4.23 134.06 52.37 5.55 134.41 51.08 4.76 134.74 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 106 52.88 4.37 132.32 52.00 4.77 132.09 55.08 4.11 131.18 56.07 3.39 131.21 53.68 3.55 131.39 52.98 3.41 130.03 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 107 55.15 5.41 131.00 54.27 5.89 131.05 57.35 6.06 131.96 58.51 5.77 131.77 56.41 6.08 130.77 56.23 7.53 130.28 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 108 56.87 6.36 133.16 55.91 6.65 133.17 58.34 4.89 134.49 59.55 4.77 134.66 57.71 6.28 134.35 56.91 6.63 135.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 109 57.51 3.84 134.39 56.57 4.08 134.17 58.92 1.99 133.48 59.96 1.39 133.73 57.99 2.46 134.59 56.83 1.49 134.72 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 110 58.56 2.28 132.24 57.70 2.78 132.15 60.72 2.61 131.12 61.75 1.96 131.01 59.38 1.89 131.11 58.65 2.10 129.76 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 111 60.74 3.90 131.33 59.84 4.32 131.44 62.91 4.24 132.56 64.12 4.26 132.44 62.02 4.62 131.39 61.82 6.13 131.42 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 112 62.31 3.90 133.70 61.31 3.94 133.68 63.88 2.21 134.63 65.04 2.06 135.10 63.08 3.50 134.88 62.10 3.28 136.03 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 113 63.23 1.27 133.94 62.29 1.51 133.70 64.81 0.20 132.42 65.93 -0.26 132.49 63.85 0.00 133.58 62.81 -1.07 133.22 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 114 64.36 0.87 131.37 63.45 1.26 131.50 66.41 1.82 130.30 67.42 1.52 129.69 65.13 1.00 130.13 64.26 1.63 129.02 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 115 66.35 2.88 131.09 65.47 2.98 131.56 68.22 3.67 132.58 69.23 4.32 132.78 67.49 3.80 131.24 67.03 5.26 131.06 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 116 67.75 2.77 133.41 66.90 2.36 133.08 68.65 3.65 135.48 69.78 4.08 135.65 68.37 2.41 134.67 69.60 1.53 134.48 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 117 67.57 4.25 135.94 66.76 3.67 135.94 66.21 5.59 137.04 65.47 4.68 136.83 67.55 5.60 136.41 67.54 6.57 135.26 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 118 65.91 6.58 137.86 66.71 7.10 138.18 63.68 7.23 137.05 64.11 7.99 136.15 64.55 6.86 138.26 64.69 8.08 139.18 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 119 62.47 6.68 137.05 62.29 6.10 137.84 61.31 8.38 135.71 61.26 9.19 136.61 61.52 6.91 135.99-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 120 61.20 8.69 134.43 61.41 7.92 133.83 59.35 10.25 134.29 58.49 9.40 134.05 60.82 10.00 133.95 60.99 10.02 132.42 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 121 59.07 11.41 134.87 59.87 11.99 135.02 57.28 12.92 134.35 57.76 14.05 134.49 57.73 11.79 135.24 57.68 12.27 136.71 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 122 56.36 12.61 133.43 56.10 11.64 133.43 54.91 14.53 133.32 54.13 14.10 134.16 55.78 13.60 132.53 54.93 12.94 131.42 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 123 55.08 15.83 133.09 55.94 16.05 132.64 53.70 17.48 132.12 54.54 17.56 131.20 54.08 16.81 133.46 54.58 17.82 134.52 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 124 52.46 17.89 131.97 51.94 17.96 132.83 51.67 19.73 130.52 50.58 20.18 130.14 51.91 18.21 130.65 50.62 17.40 130.39 3 0 1000.00-999 ?-999 ?-999 ? mALA.B -1 84.64 -21.91 137.98 84.56 -21.79 138.97 83.46 -21.58 135.82 82.62 -22.36 135.33 84.74 -22.08 136.50 85.03 -23.55 136.13 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 0 83.30 -20.25 135.84 83.95 -19.79 136.44 83.03 -18.51 134.22 84.24 -18.31 134.39 82.29 -19.55 135.07 81.29 -18.87 135.99 2 0 1000.00-999 ?-999 ?-999 ? mMETB 1 82.32 -17.86 133.31 81.36 -18.16 133.23 82.85 -15.49 133.29 81.83 -15.20 133.90 82.93 -16.81 132.52 82.21 -16.71 131.18 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 2 83.94 -14.72 133.28 84.72 -15.14 132.81 83.64 -12.28 132.93 84.42 -12.01 132.01 83.97 -13.40 133.91 85.35 -13.09 134.50 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 3 82.51 -11.61 133.15 82.05 -11.85 134.00 81.80 -9.27 132.94 81.21 -9.24 134.01 82.02 -10.60 132.23 80.72 -11.09 131.55 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 4 82.29 -8.19 132.35 82.92 -8.39 131.60 80.99 -6.25 131.73 81.33 -6.16 130.53 81.95 -6.83 132.78 83.21 -5.93 132.91 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 5 79.79 -5.85 132.16 79.67 -5.89 133.15 78.43 -3.94 131.29 78.39 -3.36 132.36 78.76 -5.41 131.21 77.47 -6.17 131.45 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 6 78.19 -3.35 130.13 78.48 -3.89 129.34 76.08 -2.14 130.33 75.47 -3.20 130.30 77.57 -2.03 130.04 77.71 -1.45 128.64 2 0 1000.00-999 ?-999 ?-999 ? mGLN.B 7 75.48 -0.99 130.54 76.09 -0.19 130.55 73.31 -1.47 129.53 73.68 -1.19 128.38 74.06 -0.92 130.75 73.71 0.53 131.00 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 8 72.25 -2.24 129.79 72.10 -2.42 130.76 70.84 -1.56 127.94 70.57 -0.48 128.49 71.38 -2.76 128.76 70.23 -3.60 129.36 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 9 70.71 -1.76 126.65 70.96 -2.69 126.37 68.96 -1.24 125.07 68.94 -2.25 124.35 70.25 -0.74 125.71 71.32 -0.48 124.64 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 10 67.87 -0.53 125.35 68.01 0.22 125.99 66.47 -0.07 123.46 66.25 1.14 123.49 66.59 -0.84 124.75 65.41 -0.50 125.71 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 11 66.61 -0.76 122.33 66.87 -1.72 122.46 64.94 0.11 120.76 64.60 1.21 120.31 66.42 -0.18 121.02 66.90 -1.11 119.88 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 12 64.10 -0.91 120.97 64.55 -1.73 121.33 61.98 -1.66 121.75 62.42 -2.76 122.01 62.67 -0.84 120.72 62.25 -1.46 119.37 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 13 60.89 -1.14 122.30 60.78 -0.16 122.14 58.55 -1.52 122.65 58.15 -0.40 122.97 59.94 -1.97 123.06 60.13 -1.85 124.58 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 14 57.83 -2.38 121.93 58.27 -3.28 121.82 55.37 -2.87 121.97 55.44 -4.08 122.05 56.53 -2.04 121.35 56.56 -2.21 119.85 3 0 1000.00-999 ?-999 ?-999 ? mTYR^B 15 54.30 -2.19 122.37 54.39 -1.19 122.27 52.02 -2.47 121.95 51.79 -1.30 121.71 53.11 -2.82 122.90 52.75 -2.31 124.31 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 16 51.35 -3.46 121.39 51.70 -4.38 121.58 49.02 -4.06 120.90 49.16 -5.24 121.06 50.21 -3.19 120.55 50.58 -3.38 119.09 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 17 47.84 -3.46 121.03 47.87 -2.46 120.93 46.46 -5.21 120.14 46.87 -4.96 119.01 46.63 -4.23 121.28 45.42 -3.32 121.41 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 18 45.85 -6.34 120.43 45.50 -6.38 121.37 44.70 -6.99 118.44 43.60 -6.55 118.81 45.74 -7.42 119.47 45.31 -8.69 120.21 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 19 45.08 -7.03 117.16 46.05 -7.22 117.03 43.92 -8.10 115.23 44.74 -8.45 114.36 44.13 -6.82 116.07 44.54 -5.65 115.17 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 20 42.82 -8.80 115.50 42.18 -8.35 116.13 42.04 -10.04 113.47 42.24 -10.98 112.69 42.60 -10.11 114.91 41.73 -10.97 115.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 21 41.39 -8.92 113.13 41.18 -8.34 113.91 42.22 -8.64 110.79 42.17 -9.27 109.73 41.02 -8.60 111.74 40.40 -7.19 111.64 2 0 1000.00-999 ?-999 ?-999 ? mTRP~B 22 43.31 -7.97 111.19 43.20 -7.53 112.08 45.30 -9.23 110.34 45.46 -9.84 109.27 44.53 -7.90 110.38 45.47 -6.82 110.92 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 23 45.76 -9.68 111.50 45.47 -9.12 112.28 46.07 -12.09 110.91 46.84 -12.95 110.50 46.62 -10.87 111.63 46.81 -11.22 113.11 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 24 44.74 -12.17 110.80 44.27 -11.36 111.15 44.44 -13.61 108.76 44.45 -14.77 108.33 44.04 -13.32 110.22 42.51 -13.13 110.41 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 25 44.77 -12.56 108.00 44.62 -11.67 108.44 46.75 -12.14 106.49 47.34 -12.22 105.40 45.32 -12.71 106.64 44.37 -12.09 105.61 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 26 47.29 -11.56 107.57 46.68 -11.52 108.36 49.65 -11.92 108.33 50.84 -11.60 108.39 48.66 -11.02 107.57 48.68 -9.60 108.16 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 27 49.16 -13.03 108.90 48.18 -13.14 108.75 49.86 -13.87 111.20 50.08 -12.81 111.79 49.99 -13.98 109.68-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.B 28 49.50 -15.00 111.83 49.33 -15.76 111.22 50.75 -15.33 113.99 51.44 -16.32 113.67 49.38 -15.08 113.30 48.35 -16.17 113.72 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 29 51.15 -14.44 114.93 50.48 -13.76 115.24 52.72 -15.52 116.57 51.79 -15.74 117.36 52.54 -14.53 115.42 52.85 -13.09 115.87 3 0 1000.00-999 ?-999 ?-999 ? mLYS.B 30 53.89 -16.14 116.63 54.48 -15.98 115.84 55.18 -16.14 118.67 55.99 -15.34 118.20 54.28 -16.96 117.77 55.04 -18.23 117.34 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 31 55.04 -16.37 119.97 54.21 -16.85 120.23 57.38 -16.58 120.57 57.47 -17.79 120.41 56.03 -15.93 120.92 55.60 -16.29 122.34 2 0 1000.00-999 ?-999 ?-999 ? mASN^B 32 58.42 -15.75 120.41 58.17 -14.78 120.46 60.84 -15.20 120.50 60.57 -14.00 120.51 59.78 -16.24 120.18 60.00 -16.80 118.76 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 33 62.03 -15.70 120.80 62.05 -16.70 120.85 64.30 -15.36 120.06 64.28 -16.50 119.64 63.20 -14.87 121.04 63.60 -14.98 122.53 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 34 65.17 -14.47 119.62 64.90 -13.52 119.81 67.47 -14.01 119.66 67.25 -12.83 119.94 66.40 -14.82 118.92 66.35 -14.40 117.43 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 35 68.59 -14.65 120.00 68.57 -15.64 119.85 70.96 -14.21 119.69 71.27 -15.35 119.37 69.74 -13.94 120.53 70.11 -14.34 122.00 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 36 71.68 -13.15 119.35 71.30 -12.27 119.64 73.97 -12.52 119.35 73.67 -11.67 120.21 72.90 -13.29 118.61 72.78 -12.73 117.16 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 37 75.22 -12.80 118.97 75.27 -13.46 118.21 77.37 -11.76 118.51 77.70 -12.49 117.59 76.39 -12.22 119.57 77.08 -13.26 120.45 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 38 77.88 -10.55 118.69 77.60 -10.11 119.54 80.08 -9.48 118.37 80.07 -8.68 119.31 78.77 -9.94 117.73 78.07 -8.74 117.09 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 39 81.19 -9.93 117.80 81.06 -10.65 117.12 82.54 -7.89 117.85 82.28 -7.47 116.74 82.50 -9.38 118.16 83.63 -10.08 117.39 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 40 82.83 -7.10 118.86 83.02 -7.58 119.72 84.33 -5.32 118.61 84.74 -4.70 117.64 82.86 -5.67 118.73 82.21 -4.99 119.92 2 0 1000.00-999 ?-999 ?-999 ? mASN^B 41 85.14 -5.71 119.59 84.68 -5.97 120.45 87.37 -6.43 120.48 86.82 -7.26 121.21 86.58 -5.73 119.38 87.14 -4.34 119.06 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 42 88.66 -6.10 120.56 88.92 -5.32 119.99 90.61 -5.91 122.14 90.73 -4.70 121.89 89.61 -6.80 121.41 90.39 -7.79 120.56 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 43 91.30 -6.55 123.08 90.97 -7.48 123.26 93.26 -7.18 124.16 93.32 -7.57 125.34 92.43 -5.97 123.78 91.95 -5.16 124.99 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 44 93.86 -7.81 123.15 93.81 -7.31 122.29 95.78 -9.04 124.20 96.20 -10.07 124.74 94.53 -9.11 123.31 94.83 -9.76 121.95 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 45 96.33 -7.84 124.36 96.01 -7.14 123.73 96.70 -7.65 126.79 97.30 -8.17 127.74 97.34 -7.59 125.39 98.00 -6.24 125.17 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 46 95.47 -7.13 126.90 95.14 -6.71 126.06 93.81 -8.40 128.32 93.10 -8.50 129.33 94.72 -7.16 128.16 93.89 -5.88 128.31 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 47 93.86 -9.35 127.37 94.56 -9.16 126.68 91.49 -10.17 127.55 90.90 -10.43 128.61 92.98 -10.54 127.35 93.41 -11.58 128.38 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 48 90.89 -9.53 126.54 91.49 -9.37 125.75 88.83 -9.17 125.24 89.41 -8.71 124.25 89.49 -9.11 126.61 89.33 -7.67 127.14 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 49 87.64 -9.76 125.18 87.36 -10.22 126.02 85.51 -8.99 124.30 84.78 -9.37 125.21 86.81 -9.73 123.99 86.51 -11.13 123.50 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 50 85.28 -7.90 123.58 86.01 -7.65 122.95 83.04 -7.66 122.69 83.35 -7.79 121.52 84.04 -7.14 123.72 84.30 -5.65 123.52 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 51 81.82 -7.91 123.15 81.67 -7.57 124.08 79.51 -7.83 122.53 79.23 -7.28 123.58 80.82 -8.63 122.41 80.71 -10.08 123.00 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 52 78.75 -7.72 121.45 79.16 -8.09 120.61 76.42 -8.25 121.43 76.39 -8.97 120.43 77.42 -7.11 121.51 77.22 -6.09 120.35 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 53 75.66 -8.46 122.51 75.94 -7.91 123.30 73.29 -8.65 122.09 73.05 -7.53 122.53 74.52 -9.40 122.54 74.28 -9.99 123.98 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 54 72.51 -9.25 121.20 72.83 -10.15 120.90 70.17 -9.65 120.82 70.31 -10.78 120.33 71.29 -8.62 120.71 71.40 -8.13 119.26 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 55 69.09 -9.24 121.50 69.19 -8.33 121.91 66.75 -9.36 120.87 66.44 -8.17 121.06 67.89 -10.03 121.66 67.48 -10.12 123.14 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 56 66.14 -10.15 120.00 66.56 -11.06 119.90 63.84 -10.62 119.67 63.97 -11.86 119.70 64.99 -9.73 119.26 65.26 -9.79 117.73 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 57 62.69 -10.02 119.96 62.64 -9.05 119.74 60.20 -10.39 120.13 59.95 -9.24 119.74 61.61 -10.79 120.57 61.73 -10.71 122.11 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 58 59.31 -11.39 120.18 59.70 -12.28 120.39 57.17 -12.03 121.04 57.50 -13.19 121.28 57.90 -11.22 119.97 57.44 -11.65 118.52 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 59 56.21 -11.41 121.72 56.10 -10.46 121.44 53.95 -11.85 122.37 53.51 -10.70 122.27 55.40 -12.08 122.76 55.66 -11.51 124.19 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 60 53.22 -12.94 122.07 53.74 -13.80 122.11 50.97 -13.42 122.92 51.28 -14.47 123.49 51.80 -12.89 121.73 51.51 -13.69 120.41 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 61 49.97 -12.64 123.34 50.00 -11.71 122.97 47.57 -12.76 123.66 47.50 -12.04 122.68 48.94 -13.13 124.26 49.11 -12.54 125.68 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 62 46.47 -13.25 124.23 46.63 -13.85 125.02 44.97 -11.41 123.50 44.38 -11.01 122.52 45.17 -12.91 123.70 44.06 -13.43 124.61 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 63 45.50 -10.60 124.43 46.09 -11.06 125.09 46.23 -8.31 123.71 46.01 -7.10 123.49 45.22 -9.17 124.46 45.12 -8.69 125.92 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 64 47.35 -8.89 123.31 47.38 -9.88 123.37 49.51 -8.80 122.11 49.65 -10.02 122.30 48.43 -8.05 122.82 49.08 -7.27 123.99 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 65 50.26 -8.04 121.31 49.84 -7.17 121.06 52.57 -7.39 121.36 52.40 -6.15 121.19 51.56 -8.42 120.83 51.65 -8.42 119.28 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 66 53.63 -7.89 121.96 53.58 -8.88 122.11 55.95 -7.49 121.52 56.18 -8.68 121.33 54.75 -7.08 122.37 55.07 -7.27 123.91 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 67 56.70 -6.52 121.01 56.37 -5.60 121.20 59.01 -5.83 120.48 58.76 -4.68 120.86 57.90 -6.83 120.24 57.58 -6.85 118.75 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 68 60.26 -6.25 120.26 60.36 -7.23 120.07 62.72 -5.89 120.23 62.88 -7.05 119.92 61.34 -5.29 120.30-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^B 69 63.71 -5.07 120.53 63.39 -4.18 120.87 65.88 -4.78 121.52 65.80 -3.59 121.73 65.12 -5.41 120.37 65.68 -4.82 119.04 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 70 66.60 -5.59 122.27 66.51 -6.55 122.00 68.87 -5.59 123.04 69.09 -6.70 122.54 67.43 -5.15 123.36 66.93 -5.74 124.74 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 71 69.83 -4.69 123.28 69.48 -3.79 123.56 72.00 -4.76 124.45 71.60 -3.94 125.27 71.25 -4.99 123.16 71.86 -4.06 122.12 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 72 73.12 -5.46 124.61 73.25 -6.23 123.97 75.52 -5.37 125.20 75.85 -6.41 124.55 74.07 -5.12 125.64 73.78 -5.93 126.89 2 0 1000.00-999 ?-999 ?-999 ? mMETB 73 76.39 -4.44 125.58 75.98 -3.63 126.00 78.38 -5.40 126.59 78.18 -5.02 127.75 77.81 -4.61 125.40 78.47 -3.25 125.28 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 74 79.07 -6.51 126.28 79.11 -6.69 125.30 81.22 -7.45 127.04 81.65 -7.78 125.94 79.72 -7.37 127.28 79.12 -8.79 127.23 2 0 1000.00-999 ?-999 ?-999 ? mHIS^B 75 82.01 -7.18 128.08 81.53 -6.95 128.92 83.95 -8.50 128.65 84.07 -8.56 129.88 83.47 -7.22 127.97 84.08 -5.98 128.62 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 76 84.20 -9.55 127.86 84.10 -9.35 126.88 86.03 -10.89 128.90 86.95 -10.77 128.08 84.57 -10.85 128.41 84.39 -11.98 127.38 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 77 86.24 -11.07 130.20 85.40 -11.16 130.74 88.27 -12.49 130.61 87.63 -13.54 130.75 87.60 -11.11 130.77 87.60 -10.70 132.25 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 78 89.57 -12.46 130.31 89.94 -11.54 130.18 90.11 -14.54 128.97 90.50 -15.71 128.95 90.39 -13.66 130.18-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.B 79 89.44 -13.99 127.95 89.20 -13.03 128.07 89.47 -13.98 125.52 89.34 -12.76 125.49 89.12 -14.77 126.76 87.63 -15.14 126.71 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 80 89.92 -14.70 124.50 90.04 -15.67 124.71 89.45 -15.00 122.21 89.92 -16.09 121.85 90.18 -14.13 123.18 91.69 -14.10 122.92 3 0 1000.00-999 ?-999 ?-999 ? mILE.B 81 88.26 -14.54 121.82 88.05 -13.62 122.16 87.53 -14.81 119.53 87.56 -13.61 119.25 87.36 -15.29 120.97 85.88 -15.12 121.41 3 0 1000.00-999 ?-999 ?-999 ? mASN.B 82 87.67 -15.76 118.61 87.61 -16.69 118.96 86.55 -15.37 116.51 86.32 -14.47 115.68 87.88 -15.43 117.23 88.82 -16.45 116.58 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 83 85.68 -16.34 116.81 86.06 -17.06 117.39 83.28 -16.64 117.48 83.62 -17.31 118.47 84.30 -16.34 116.34 84.12 -17.28 115.13 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 84 82.05 -16.10 117.37 81.91 -15.56 116.54 80.61 -17.73 118.68 80.23 -18.04 119.79 81.01 -16.29 118.40 79.81 -15.50 117.85 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 85 80.68 -18.61 117.68 81.01 -18.22 116.82 81.20 -20.77 118.86 80.86 -21.89 119.25 80.31 -20.03 117.87 80.36 -20.78 116.54 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 86 82.32 -20.16 119.25 82.53 -19.33 118.74 82.42 -20.77 121.67 82.80 -21.55 122.54 83.16 -20.70 120.34 84.41 -19.84 120.56 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 87 81.41 -19.92 121.85 81.20 -19.33 121.07 79.95 -21.21 123.32 79.36 -21.72 122.39 80.68 -19.91 123.11 79.67 -18.76 123.17 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 88 79.98 -21.70 124.55 80.59 -21.21 125.17 77.75 -22.46 125.30 77.43 -21.27 125.47 79.19 -22.86 124.96 79.81 -23.50 126.20 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 89 76.89 -23.46 125.42 77.29 -24.37 125.29 75.30 -22.43 127.04 74.39 -21.61 127.15 75.49 -23.22 125.73 74.76 -24.54 125.87 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 90 76.14 -22.73 128.03 76.80 -23.46 127.82 76.61 -20.61 129.18 76.12 -19.70 129.85 76.07 -22.03 129.32 76.83 -22.79 130.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 91 77.59 -20.42 128.30 77.92 -21.25 127.86 77.07 -18.19 127.31 76.90 -17.02 127.63 78.10 -19.07 128.03 79.44 -19.15 127.30 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 92 76.36 -18.76 126.34 76.65 -19.69 126.11 74.16 -17.81 126.70 73.66 -16.69 126.77 75.27 -18.09 125.68 74.72 -18.87 124.46 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 93 73.80 -18.80 127.52 74.27 -19.66 127.37 73.15 -17.37 129.45 72.32 -16.48 129.64 72.79 -18.57 128.56 72.57 -19.80 129.45 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 94 74.36 -17.41 130.01 74.81 -18.28 129.86 74.87 -14.97 130.07 74.40 -13.99 130.65 74.99 -16.32 130.76 76.48 -16.66 130.94 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 95 75.32 -14.92 128.82 75.62 -15.80 128.45 73.95 -13.13 127.77 73.77 -11.93 127.76 75.35 -13.67 128.07 76.14 -13.84 126.76 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 96 73.00 -14.02 127.47 73.30 -14.97 127.51 70.74 -13.22 128.32 69.77 -12.48 128.15 71.62 -13.61 127.12 70.92 -14.72 126.34 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 97 71.06 -13.74 129.50 71.94 -14.22 129.51 69.78 -12.18 130.99 68.60 -11.93 131.26 70.20 -13.61 130.68 70.89 -14.25 131.93 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 98 70.73 -11.22 130.99 71.65 -11.50 130.74 69.38 -9.20 130.33 68.60 -8.34 130.69 70.31 -9.85 131.35 71.64 -9.08 131.47 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 99 69.45 -9.64 129.08 70.16 -10.32 128.92 67.13 -9.67 128.30 66.14 -8.92 128.23 68.55 -9.16 128.04 69.04 -9.63 126.67 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 100 67.02 -10.96 128.57 67.89 -11.46 128.56 65.10 -10.97 130.14 63.89 -10.72 130.17 65.74 -11.58 128.86 65.92 -13.08 129.03 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 101 65.93 -10.72 131.16 66.88 -10.96 130.99 64.84 -8.73 132.20 63.79 -8.41 132.76 65.43 -10.13 132.43 66.53 -10.11 133.50 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 102 65.48 -7.93 131.35 66.35 -8.29 131.02 63.52 -6.76 130.30 62.60 -5.97 130.60 64.92 -6.63 130.94 65.86 -5.88 129.97 3 0 1000.00-999 ?-999 ?-999 ? mVAL~B 103 63.39 -7.71 129.39 64.21 -8.27 129.24 61.07 -8.38 129.66 59.89 -8.01 129.56 62.13 -7.91 128.67 62.27 -8.96 127.55 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 104 61.49 -9.23 130.58 62.44 -9.54 130.45 60.12 -8.49 132.55 58.92 -8.38 132.83 60.63 -9.68 131.69 61.36 -10.73 132.54 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 105 61.03 -7.59 132.93 61.95 -7.76 132.57 59.74 -5.47 133.09 58.75 -4.99 133.68 60.65 -6.46 133.80 61.88 -5.74 134.36 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 106 60.06 -5.20 131.82 60.87 -5.68 131.49 57.89 -4.85 130.80 56.90 -4.13 130.93 59.31 -4.29 130.99 60.02 -4.08 129.63 3 0 1000.00-999 ?-999 ?-999 ? mTHR~B 107 57.80 -6.13 130.48 58.68 -6.59 130.44 55.62 -6.83 131.43 54.43 -6.62 131.31 56.52 -6.76 130.22 56.74 -8.16 129.58 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 108 56.19 -7.09 132.61 57.17 -7.29 132.59 54.75 -5.70 134.06 53.55 -5.61 134.29 55.41 -7.09 133.82 56.26 -7.58 135.01 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 109 55.53 -4.63 134.02 56.46 -4.82 133.72 54.03 -2.79 133.39 53.03 -2.21 133.75 55.03 -3.30 134.40 56.21 -2.31 134.51 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 110 54.32 -3.01 132.12 55.18 -3.51 131.97 52.14 -3.33 131.01 51.12 -2.72 130.90 53.48 -2.57 131.03 54.26 -2.67 129.68 3 0 1000.00-999 ?-999 ?-999 ? mTHR~B 111 52.14 -4.66 131.17 53.05 -5.06 131.30 50.09 -5.15 132.42 48.88 -5.05 132.37 50.89 -5.43 131.14 51.15 -6.94 130.93 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 112 50.77 -5.05 133.57 51.74 -5.29 133.51 49.32 -3.31 134.60 48.16 -3.23 135.04 50.13 -4.61 134.80 51.17 -4.42 135.91 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 113 49.92 -2.32 133.96 50.85 -2.52 133.67 48.21 -1.11 132.59 47.11 -0.55 132.72 49.24 -1.05 133.73 50.26 0.07 133.38 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 114 48.58 -1.73 131.46 49.49 -2.16 131.51 46.44 -2.57 130.48 45.40 -2.22 129.93 47.74 -1.77 130.27 48.52 -2.33 129.05 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 115 46.52 -3.65 131.24 47.39 -3.78 131.72 44.73 -4.57 132.72 43.57 -4.94 132.86 45.39 -4.56 131.35 45.85 -5.96 131.01 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 116 45.47 -4.05 133.67 46.44 -3.97 133.42 44.37 -4.90 135.50 43.19 -5.13 135.53 44.96 -3.65 134.94 43.97 -2.51 134.81 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 117 45.28 -5.76 135.91 46.14 -5.32 136.16 46.48 -7.53 136.25 47.33 -6.79 135.85 45.05 -7.18 136.00 44.54 -7.74 134.68 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 118 46.76 -8.57 137.01 45.98 -9.16 137.24 49.14 -8.89 136.29 48.88 -9.60 135.31 48.15 -8.75 137.44 48.12 -10.03 138.28 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 119 50.27 -8.22 136.43 50.39 -7.74 137.29 51.64 -9.59 134.92 51.73 -10.52 135.73 51.25 -8.20 135.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.B 120 51.86 -9.71 133.62 51.69 -8.87 133.10 53.74 -11.17 133.45 54.56 -10.25 133.36 52.31 -10.95 133.01 52.27 -10.86 131.46 3 0 1000.00-999 ?-999 ?-999 ? mTHR.B 121 54.04 -12.39 133.90 53.26 -13.02 133.91 55.96 -13.86 133.43 55.61 -15.02 133.54 55.38 -12.76 134.35 55.40 -13.15 135.88 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 122 56.87 -13.46 132.54 57.10 -12.49 132.60 58.46 -15.27 132.26 59.19 -14.85 133.17 57.46 -14.37 131.57 58.16 -13.60 130.45 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 123 58.48 -16.53 131.82 57.77 -16.72 131.15 59.96 -18.20 131.01 59.15 -18.69 130.23 59.46 -17.52 132.29 58.80 -18.55 133.22 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 124 61.27 -18.21 130.77 61.84 -17.96 131.55 62.19 -20.05 129.28 62.35 -20.80 130.26 61.77 -18.58 129.43 62.93 -17.65 129.01 3 0 1000.00-999 ?-999 ?-999 ? mALA.C -1 105.65 -18.62 92.94 105.60 -19.35 92.26 104.68 -17.73 95.07 105.03 -17.88 96.26 105.73 -17.53 93.95 105.54 -16.16 93.27 2 0 1000.00-999 ?-999 ?-999 ? mALA.C 0 103.41 -17.70 94.68 103.28 -17.66 93.69 102.14 -19.13 96.22 102.51 -20.13 95.61 102.31 -17.74 95.64 101.02 -17.29 94.97 2 0 1000.00-999 ?-999 ?-999 ? mMETC 1 101.55 -19.17 97.41 101.35 -18.27 97.79 100.10 -21.08 97.33 99.18 -20.40 96.88 101.24 -20.42 98.09 100.83 -20.08 99.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU^C 2 100.16 -22.41 97.16 100.98 -22.84 97.56 98.04 -23.58 97.44 98.36 -24.29 98.38 99.11 -23.13 96.45 99.64 -24.35 95.71 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 3 96.80 -23.17 97.21 96.70 -22.62 96.38 94.48 -24.07 97.32 94.03 -23.48 96.34 95.69 -23.50 98.09 95.19 -22.26 98.89 3 0 1000.00-999 ?-999 ?-999 ? mILE^C 4 93.95 -25.19 97.81 94.55 -25.65 98.47 91.63 -25.35 98.49 91.75 -25.79 99.63 92.64 -25.71 97.41 92.65 -27.24 97.24 3 0 1000.00-999 ?-999 ?-999 ? mARG^C 5 90.60 -24.59 98.12 90.53 -24.46 97.13 88.23 -24.55 98.99 87.71 -24.79 97.91 89.66 -23.99 99.08 89.60 -22.48 98.86 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 6 87.61 -24.73 100.14 88.17 -24.56 100.95 85.32 -23.88 100.14 85.82 -22.75 100.22 86.22 -25.12 100.19 85.98 -25.94 101.44 2 0 1000.00-999 ?-999 ?-999 ? mGLN.C 7 84.03 -24.10 99.97 83.81 -25.07 99.87 83.16 -22.11 101.17 83.18 -22.56 102.33 83.02 -23.04 99.95 81.59 -23.62 99.89 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 8 83.25 -20.82 100.88 83.34 -20.64 99.91 82.00 -19.99 102.80 80.94 -20.43 102.33 83.22 -19.79 101.91 83.17 -18.42 101.29 2 0 1000.00-999 ?-999 ?-999 ? mPHE^C 9 82.17 -19.73 104.09 83.09 -19.43 104.33 80.87 -18.54 105.76 81.80 -17.95 106.36 81.10 -19.87 105.05 81.43 -20.98 106.04 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 10 79.62 -18.04 105.67 78.99 -18.61 105.15 78.72 -17.06 107.70 77.58 -17.48 107.83 79.26 -16.75 106.30 78.19 -15.93 105.46 3 0 1000.00-999 ?-999 ?-999 ? mASN^C 11 79.54 -16.87 108.73 80.46 -16.57 108.48 78.08 -16.03 110.55 77.07 -16.31 111.19 79.07 -17.09 110.12 80.21 -17.03 111.14 2 0 1000.00-999 ?-999 ?-999 ? mGLN^C 12 78.42 -14.80 110.18 79.24 -14.73 109.61 77.94 -12.48 109.66 79.07 -12.21 109.28 77.69 -13.66 110.58 78.10 -13.31 111.99 2 0 1000.00-999 ?-999 ?-999 ? mTYR^C 13 76.87 -11.78 109.32 76.00 -12.21 109.57 75.82 -9.60 109.17 74.64 -9.85 108.93 76.96 -10.49 108.65 76.89 -10.66 107.11 3 0 1000.00-999 ?-999 ?-999 ? mHIS^C 14 76.21 -8.57 109.92 77.19 -8.51 110.08 75.42 -6.27 109.78 76.51 -5.71 109.74 75.25 -7.63 110.46 75.39 -7.50 111.97 3 0 1000.00-999 ?-999 ?-999 ? mTYR^C 15 74.31 -5.74 109.27 73.55 -6.39 109.22 73.35 -3.61 109.83 72.23 -4.02 110.10 74.23 -4.36 108.82 73.60 -4.30 107.43 3 0 1000.00-999 ?-999 ?-999 ? mASP^C 16 73.87 -2.51 110.38 74.82 -2.34 110.11 73.24 -0.19 110.82 74.32 0.29 110.54 73.14 -1.64 111.27 73.67 -1.78 112.72 2 0 1000.00-999 ?-999 ?-999 ? mALA^C 17 72.09 0.49 110.74 71.27 -0.07 110.80 72.85 2.54 111.75 72.78 2.02 112.86 72.08 1.95 110.59 70.66 2.53 110.56 2 0 1000.00-999 ?-999 ?-999 ? mARG.C 18 73.57 3.61 111.47 73.47 3.93 110.53 73.56 4.67 113.62 72.47 5.20 113.43 74.43 4.26 112.46 75.14 5.48 111.85 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 19 74.02 4.34 114.83 74.94 3.96 114.84 74.04 5.30 117.00 74.76 4.73 117.82 73.21 4.54 116.02 72.77 3.20 116.59 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 20 73.97 6.61 116.90 73.25 6.96 116.30 74.54 7.39 119.16 75.42 7.46 120.00 74.89 7.44 117.65 74.91 8.85 117.08 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 21 73.26 7.22 119.48 72.64 7.18 118.69 73.46 5.89 121.56 73.84 5.96 122.71 72.83 7.10 120.88 71.30 7.05 120.97 2 0 1000.00-999 ?-999 ?-999 ? mTRP~C 22 73.55 4.79 120.84 73.13 4.86 119.94 75.68 3.92 121.62 76.20 3.59 122.67 74.21 3.59 121.35 74.05 2.40 120.36 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 23 76.32 4.55 120.66 75.74 4.82 119.89 78.08 5.80 121.86 79.19 5.74 122.42 77.74 4.85 120.72 78.22 5.44 119.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 24 77.17 6.71 122.14 76.36 6.70 121.56 77.53 6.87 124.56 78.29 7.28 125.41 77.38 7.64 123.24 76.20 8.60 123.34 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 25 76.82 5.76 124.71 76.30 5.51 123.89 77.89 3.89 125.93 78.48 3.62 126.94 76.81 4.98 125.95 75.45 4.28 126.13 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 26 78.14 3.31 124.77 77.72 3.77 123.99 80.24 2.26 123.88 81.03 1.31 123.78 78.94 2.10 124.63 78.08 1.02 123.98 2 0 1000.00-999 ?-999 ?-999 ? mGLY~C 27 80.48 3.45 123.35 79.75 4.13 123.46 81.56 3.72 121.17 80.66 3.07 120.61 81.73 3.71 122.66-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.C 28 82.44 4.47 120.54 83.10 4.92 121.13 83.15 3.41 118.50 84.32 3.17 118.83 82.41 4.60 119.10 83.11 5.89 118.70 2 0 1000.00-999 ?-999 ?-999 ? mPRO.C 29 82.50 2.66 117.61 81.56 2.91 117.40 84.32 2.03 116.09 84.25 3.17 115.61 83.22 1.53 117.01 82.13 0.80 116.20 3 0 1000.00-999 ?-999 ?-999 ? mLYS.C 30 85.31 1.17 115.84 85.24 0.31 116.35 86.46 0.44 113.79 86.38 -0.77 114.04 86.39 1.47 114.92 87.72 1.49 115.67 2 0 1000.00-999 ?-999 ?-999 ? mTHR.C 31 86.61 0.93 112.56 86.52 1.92 112.48 88.10 -0.82 111.74 89.13 -0.32 112.21 86.87 0.04 111.44 87.11 0.76 110.11 2 0 1000.00-999 ?-999 ?-999 ? mASN^C 32 87.95 -2.12 111.50 87.09 -2.36 111.05 88.73 -4.42 111.09 87.59 -4.84 110.91 88.96 -3.11 111.85 88.91 -3.35 113.36 2 0 1000.00-999 ?-999 ?-999 ? mPHE^C 33 89.81 -5.05 110.63 90.65 -4.52 110.70 90.70 -7.28 110.81 91.84 -6.90 111.03 89.74 -6.40 110.07 90.10 -6.39 108.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU^C 34 90.26 -8.46 111.21 89.31 -8.67 110.98 91.10 -10.77 111.31 90.05 -11.39 111.25 91.14 -9.36 111.93 90.74 -9.36 113.40 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 35 92.27 -11.26 110.87 93.03 -10.62 110.97 93.12 -13.55 111.29 94.24 -13.32 111.71 92.43 -12.60 110.31 93.26 -12.60 109.00 3 0 1000.00-999 ?-999 ?-999 ? mTHR^C 36 92.44 -14.65 111.61 91.53 -14.71 111.20 92.81 -17.03 111.84 92.13 -17.14 110.81 92.99 -15.66 112.49 92.32 -15.61 113.88 2 0 1000.00-999 ?-999 ?-999 ? mPHE^C 37 93.44 -18.04 112.42 93.88 -17.81 113.28 93.25 -20.52 112.81 93.62 -20.43 113.98 93.46 -19.38 111.82 94.77 -19.63 111.09 3 0 1000.00-999 ?-999 ?-999 ? mGLN^C 38 92.67 -21.62 112.32 92.36 -21.54 111.37 93.00 -23.99 112.31 92.36 -24.42 111.37 92.51 -22.82 113.12 91.04 -23.04 113.51 2 0 1000.00-999 ?-999 ?-999 ? mLEU^C 39 94.18 -24.48 112.69 94.61 -23.99 113.45 93.83 -26.82 112.25 93.39 -27.07 113.36 94.78 -25.63 112.04 96.18 -25.90 112.62 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 40 93.50 -27.51 111.15 93.94 -27.18 110.32 93.34 -29.99 111.14 93.14 -30.85 111.99 92.57 -28.67 111.19 91.59 -28.61 110.02 2 0 1000.00-999 ?-999 ?-999 ? mASN^C 41 94.21 -30.12 110.14 94.33 -29.29 109.60 96.22 -31.13 109.15 96.35 -30.19 108.36 94.92 -31.37 109.88 94.07 -32.31 109.00 2 0 1000.00-999 ?-999 ?-999 ? mARG^C 42 97.19 -32.01 109.42 97.03 -32.58 110.22 98.41 -33.47 107.92 98.29 -34.50 108.59 98.38 -32.10 108.60 99.64 -31.85 109.41 2 0 1000.00-999 ?-999 ?-999 ? mASP^C 43 98.52 -33.47 106.60 98.46 -32.56 106.18 100.22 -34.85 105.62 100.80 -34.32 104.67 98.72 -34.69 105.84 97.95 -34.68 104.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 44 100.81 -35.55 106.57 100.17 -35.80 107.30 102.68 -36.51 105.24 103.65 -36.03 104.67 102.20 -35.95 106.59 102.38 -36.99 107.71 2 0 1000.00-999 ?-999 ?-999 ? mALA.C 45 101.98 -37.53 104.74 101.21 -37.81 105.30 102.16 -37.17 102.30 103.01 -37.07 101.42 102.35 -38.14 103.46 101.54 -39.41 103.23 2 0 1000.00-999 ?-999 ?-999 ? mALA.C 46 101.04 -36.45 102.33 100.50 -36.58 103.16 101.39 -34.22 101.23 101.41 -33.52 100.20 100.66 -35.56 101.23 99.15 -35.32 101.25 2 0 1000.00-999 ?-999 ?-999 ? mLYS.C 47 101.97 -33.85 102.37 102.04 -34.58 103.05 101.34 -31.46 102.36 101.50 -30.52 101.58 102.45 -32.48 102.61 103.69 -32.16 101.77 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 48 100.21 -31.68 103.03 100.23 -32.52 103.57 98.63 -30.39 104.39 98.46 -31.26 105.25 99.07 -30.75 102.98 97.86 -31.38 102.23 3 0 1000.00-999 ?-999 ?-999 ? mTHR^C 49 98.46 -29.08 104.63 98.70 -28.50 103.86 96.52 -28.05 105.69 96.28 -27.21 104.83 97.94 -28.57 105.90 98.84 -27.47 106.50 2 0 1000.00-999 ?-999 ?-999 ? mSER^C 50 95.58 -28.58 106.47 95.92 -29.33 107.05 94.00 -27.16 107.62 94.39 -27.44 108.77 94.19 -28.12 106.46 93.21 -29.30 106.54 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 51 93.40 -26.03 107.31 92.92 -26.06 106.43 92.23 -23.95 107.88 91.96 -23.64 106.73 93.43 -24.85 108.17 94.75 -24.07 107.96 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 52 91.50 -23.56 108.93 91.77 -23.92 109.82 90.88 -21.22 108.90 91.50 -20.88 109.93 90.38 -22.65 108.73 89.17 -22.96 109.62 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 53 90.72 -20.42 107.84 90.44 -20.92 107.02 89.66 -18.32 108.34 88.57 -18.67 107.89 90.93 -18.98 107.85 91.27 -18.47 106.46 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 54 89.79 -17.39 109.28 90.74 -17.21 109.55 88.90 -15.21 109.76 89.97 -14.72 110.15 88.66 -16.71 109.86 88.41 -17.15 111.33 3 0 1000.00-999 ?-999 ?-999 ? mLEU^C 55 87.92 -14.51 109.19 87.18 -15.08 108.82 86.78 -12.49 109.96 85.61 -12.71 109.68 87.92 -13.05 109.11 87.76 -12.55 107.68 3 0 1000.00-999 ?-999 ?-999 ? mGLN^C 56 87.17 -11.76 110.98 88.16 -11.75 111.10 86.39 -9.56 111.49 87.48 -9.03 111.45 86.28 -11.03 111.83 86.74 -11.28 113.26 2 0 1000.00-999 ?-999 ?-999 ? mPHE^C 57 85.27 -8.90 111.22 84.43 -9.43 111.38 84.34 -6.55 111.41 83.24 -6.93 111.86 85.32 -7.52 110.73 85.13 -7.47 109.20 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 58 84.75 -5.29 111.47 85.73 -5.18 111.29 84.16 -3.07 110.81 85.33 -2.68 110.68 83.84 -4.17 111.78 83.97 -3.64 113.21 3 0 1000.00-999 ?-999 ?-999 ? mILE^C 59 83.14 -2.59 110.09 82.26 -3.05 110.25 82.36 -0.36 109.47 81.14 -0.51 109.41 83.30 -1.50 109.15 83.05 -1.92 107.69 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 60 82.94 0.81 109.71 83.93 0.82 109.55 82.15 2.96 109.05 83.21 3.29 108.52 82.18 1.96 110.17 82.85 2.62 111.42 3 0 1000.00-999 ?-999 ?-999 ? mARG.C 61 80.96 3.43 108.69 80.19 2.96 109.12 79.87 5.56 108.36 79.48 5.42 109.50 80.78 4.52 107.74 80.22 4.01 106.42 2 0 1000.00-999 ?-999 ?-999 ? mASP.C 62 79.55 6.61 107.61 79.94 6.59 106.69 77.29 7.18 108.48 76.71 7.56 109.48 78.69 7.69 108.12 78.51 8.79 107.06 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 63 76.75 6.31 107.65 77.37 5.93 106.97 75.09 4.60 108.33 73.95 4.25 108.67 75.34 5.97 107.76 74.70 6.09 106.38 2 0 1000.00-999 ?-999 ?-999 ? mPHE^C 64 76.15 3.82 108.44 77.03 4.25 108.23 77.25 1.88 109.50 78.37 2.38 109.33 76.02 2.45 108.84 75.60 1.58 107.65 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 65 77.04 0.82 110.29 76.08 0.68 110.53 77.85 -1.46 110.29 76.74 -1.96 110.47 78.14 -0.03 110.74 78.35 0.05 112.27 3 0 1000.00-999 ?-999 ?-999 ? mILE^C 66 78.83 -2.09 109.66 79.62 -1.51 109.48 79.69 -4.36 110.12 80.82 -3.96 110.40 78.75 -3.50 109.25 79.03 -3.62 107.73 3 0 1000.00-999 ?-999 ?-999 ? mSER^C 67 79.23 -5.52 110.60 78.28 -5.72 110.37 79.82 -7.84 111.09 78.75 -8.19 110.65 80.08 -6.40 111.40 79.86 -6.17 112.91 2 0 1000.00-999 ?-999 ?-999 ? mGLY^C 68 80.80 -8.69 111.34 81.67 -8.27 111.58 81.82 -10.94 111.19 82.92 -10.47 111.53 80.58 -10.10 111.25-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^C 69 81.63 -12.19 110.75 80.68 -12.36 110.50 82.41 -14.09 109.43 81.27 -14.57 109.21 82.70 -13.20 110.65 82.83 -14.08 111.95 3 0 1000.00-999 ?-999 ?-999 ? mILE^C 70 83.43 -14.23 108.59 84.20 -13.62 108.78 84.59 -16.17 107.70 85.65 -15.80 108.18 83.42 -15.19 107.51 83.54 -14.51 106.11 3 0 1000.00-999 ?-999 ?-999 ? mSER^C 71 84.39 -17.42 107.31 83.48 -17.61 106.92 85.49 -19.33 106.23 84.50 -19.48 105.47 85.44 -18.41 107.45 85.28 -19.17 108.80 2 0 1000.00-999 ?-999 ?-999 ? mGLN^C 72 86.68 -19.89 106.00 87.40 -19.60 106.63 87.97 -21.90 105.32 89.06 -21.57 105.80 86.90 -20.83 104.93 87.35 -20.07 103.68 2 0 1000.00-999 ?-999 ?-999 ? mMETC 73 87.62 -23.17 105.11 86.65 -23.29 104.91 89.50 -24.23 103.97 89.06 -24.32 102.82 88.56 -24.28 105.18 87.79 -25.60 105.18 2 0 1000.00-999 ?-999 ?-999 ? mALA^C 74 90.81 -24.08 104.24 91.01 -23.96 105.21 92.75 -25.32 103.30 93.21 -25.68 104.38 91.83 -24.09 103.18 92.66 -22.78 103.21 2 0 1000.00-999 ?-999 ?-999 ? mHIS^C 75 93.04 -25.94 102.17 92.56 -25.57 101.37 95.22 -26.58 101.39 95.26 -26.48 100.18 93.96 -27.06 102.10 93.31 -28.24 101.38 3 0 1000.00-999 ?-999 ?-999 ? mILE^C 76 96.24 -26.25 102.17 96.09 -26.45 103.14 98.29 -26.83 101.11 98.50 -27.81 101.81 97.46 -25.67 101.63 98.24 -24.84 102.70 3 0 1000.00-999 ?-999 ?-999 ? mGLN^C 77 98.74 -26.70 99.88 98.51 -25.83 99.44 101.00 -27.45 99.37 101.45 -26.30 99.22 99.49 -27.75 99.23 99.08 -27.81 97.74 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 78 101.76 -28.49 99.68 101.24 -29.31 99.94 103.81 -27.83 100.90 104.97 -27.41 100.92 103.23 -28.43 99.64-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.C 79 103.01 -27.82 101.96 102.12 -28.26 101.80 102.93 -28.07 104.41 101.85 -28.65 104.38 103.38 -27.21 103.23 102.78 -25.80 103.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU.C 80 103.78 -28.16 105.42 104.70 -27.83 105.21 103.68 -27.55 107.71 104.79 -27.41 108.22 103.41 -28.68 106.73 104.20 -29.94 107.08 3 0 1000.00-999 ?-999 ?-999 ? mILE.C 81 102.65 -26.72 107.94 101.81 -26.99 107.47 102.68 -25.92 110.27 101.71 -26.53 110.71 102.75 -25.53 108.79 101.61 -24.49 108.45 3 0 1000.00-999 ?-999 ?-999 ? mASN.C 82 103.71 -25.56 111.02 104.44 -25.09 110.52 102.80 -24.91 113.16 102.08 -25.32 114.08 103.75 -25.83 112.46 105.17 -25.68 113.02 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 83 102.79 -23.65 112.74 103.53 -23.39 112.11 101.51 -21.48 112.39 102.43 -20.89 111.81 101.76 -22.75 113.19 101.96 -22.37 114.64 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 84 100.23 -21.06 112.37 99.64 -21.59 112.97 100.47 -18.64 111.76 100.58 -17.86 110.82 99.72 -19.94 111.58 98.29 -19.79 112.08 3 0 1000.00-999 ?-999 ?-999 ? mSER~C 85 101.00 -18.42 112.95 100.87 -19.16 113.61 102.99 -17.06 112.41 103.56 -15.98 112.34 101.71 -17.17 113.24 102.00 -17.06 114.74 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 86 103.41 -18.16 111.79 102.88 -18.98 111.98 104.24 -17.71 109.47 105.13 -17.66 108.62 104.57 -18.14 110.90 105.25 -19.51 110.87 2 0 1000.00-999 ?-999 ?-999 ? mPHE~C 87 102.97 -17.40 109.20 102.33 -17.50 109.96 103.21 -15.61 107.60 103.24 -14.74 108.47 102.57 -16.97 107.89 101.04 -16.88 107.74 3 0 1000.00-999 ?-999 ?-999 ? mSER~C 88 103.71 -15.46 106.39 103.78 -16.29 105.85 102.87 -13.27 105.71 101.75 -13.79 105.64 104.13 -14.14 105.92 104.91 -14.27 104.64 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 89 103.08 -11.95 105.64 104.01 -11.67 105.85 101.31 -11.43 104.01 100.09 -11.45 103.98 102.03 -11.01 105.28 102.62 -9.63 105.05 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 90 102.08 -11.72 102.97 103.06 -11.59 103.15 100.64 -13.40 101.82 99.59 -13.47 101.19 101.55 -12.17 101.68 102.69 -12.50 100.72 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 91 101.07 -14.37 102.63 101.95 -14.18 103.08 99.03 -15.34 103.59 98.01 -15.95 103.29 100.32 -15.61 102.82 101.16 -16.64 103.58 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 92 99.07 -14.46 104.59 99.97 -14.07 104.78 96.88 -13.50 104.33 95.72 -13.87 104.31 97.87 -14.13 105.32 98.11 -13.18 106.52 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 93 97.36 -12.58 103.50 98.34 -12.43 103.58 95.90 -12.83 101.51 94.74 -12.70 101.15 96.48 -11.88 102.56 97.23 -10.72 101.91 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 94 96.72 -13.79 101.08 97.65 -13.69 101.42 95.16 -15.65 100.77 94.09 -15.75 100.14 96.34 -14.88 100.20 97.54 -15.80 100.01 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 95 95.36 -16.14 102.00 96.24 -15.90 102.40 93.06 -16.16 102.97 91.97 -16.73 102.89 94.35 -16.94 102.67 94.92 -17.58 103.93 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 96 93.21 -14.88 103.29 94.16 -14.59 103.31 91.36 -13.43 102.37 90.22 -12.91 102.52 92.10 -13.97 103.60 92.59 -12.76 104.46 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 97 91.97 -13.52 101.19 92.80 -14.06 101.20 89.92 -13.17 99.80 89.09 -12.26 99.72 91.40 -12.84 100.01 92.21 -13.15 98.74 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 98 89.59 -14.47 99.70 90.33 -15.13 99.80 87.22 -14.39 100.58 86.06 -14.15 100.32 88.19 -14.81 99.46 88.21 -16.35 99.29 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 99 87.71 -14.30 101.81 88.67 -14.56 101.89 86.50 -12.37 102.79 85.33 -12.00 102.96 86.90 -13.85 102.93 87.63 -14.11 104.25 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 100 87.47 -11.52 102.48 88.38 -11.94 102.39 86.32 -9.87 101.08 85.45 -9.00 101.10 87.23 -10.10 102.31 88.55 -9.34 102.12 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 101 86.55 -10.63 100.01 87.34 -11.24 100.09 84.22 -10.83 99.14 83.33 -10.17 98.60 85.72 -10.55 98.83 86.30 -11.52 97.76 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 102 83.94 -11.82 99.98 84.73 -12.37 100.23 82.03 -10.82 101.20 80.93 -10.36 100.91 82.57 -12.06 100.47 82.51 -13.30 101.42 3 0 1000.00-999 ?-999 ?-999 ? mVAL~C 103 82.79 -10.24 102.11 83.66 -10.71 102.27 82.07 -7.90 101.75 81.09 -7.18 101.83 82.34 -9.02 102.80 83.36 -8.59 103.85 3 0 1000.00-999 ?-999 ?-999 ? mLYS~C 104 82.93 -7.79 100.76 83.68 -8.45 100.79 81.47 -6.98 98.95 80.73 -6.02 98.75 82.79 -6.78 99.73 84.05 -6.82 98.85 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 105 81.19 -8.23 98.54 81.88 -8.90 98.79 78.71 -8.24 98.58 77.76 -7.64 98.08 79.97 -8.56 97.79 79.96 -10.06 97.42 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 106 78.70 -8.68 99.84 79.54 -9.14 100.13 77.30 -7.02 100.96 76.16 -6.56 100.94 77.55 -8.49 100.71 77.76 -9.20 102.04 3 0 1000.00-999 ?-999 ?-999 ? mTHR~C 107 78.39 -6.30 101.19 79.25 -6.80 101.10 77.76 -4.06 100.39 76.91 -3.18 100.60 78.32 -4.88 101.55 79.69 -4.36 102.03 2 0 1000.00-999 ?-999 ?-999 ? mTYR~C 108 78.25 -4.34 99.19 78.99 -5.01 99.22 76.26 -3.91 97.72 75.50 -2.93 97.50 77.76 -3.72 97.94 78.54 -4.31 96.76 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 109 75.83 -5.18 97.75 76.54 -5.86 97.92 73.53 -4.99 98.64 72.51 -4.39 98.33 74.44 -5.52 97.54 74.23 -7.03 97.39 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 110 73.93 -5.15 99.91 74.80 -5.61 100.05 73.03 -3.14 100.99 71.94 -2.57 101.22 73.12 -4.67 100.98 73.62 -5.16 102.36 3 0 1000.00-999 ?-999 ?-999 ? mTHR~C 111 74.16 -2.46 100.74 74.97 -3.01 100.57 73.34 -0.45 99.56 72.69 0.57 99.67 74.13 -1.00 100.75 75.50 -0.34 100.80 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 112 73.41 -1.12 98.43 73.96 -1.95 98.46 71.19 -0.59 97.53 70.50 0.37 97.18 72.70 -0.63 97.26 73.02 -1.47 96.06 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 113 70.68 -1.63 98.13 71.34 -2.36 98.32 68.94 -0.76 99.67 68.01 0.01 99.62 69.26 -1.69 98.48 68.85 -3.14 98.83 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 114 69.73 -0.82 100.74 70.54 -1.40 100.60 69.47 1.42 101.82 68.60 2.16 102.27 69.40 -0.10 101.99 70.32 -0.54 103.13 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 115 70.51 1.87 101.13 71.08 1.14 100.75 70.28 3.87 99.63 70.42 5.08 99.40 70.79 3.29 100.95 72.31 3.55 101.09 3 0 1000.00-999 ?-999 ?-999 ? mASP~C 116 69.74 3.00 98.76 69.82 2.05 99.06 70.05 4.21 96.66 69.72 5.30 96.15 69.09 3.39 97.51 67.82 4.18 97.80 2 0 1000.00-999 ?-999 ?-999 ? mARG.C 117 71.26 3.66 96.51 71.34 2.74 96.90 73.15 3.21 95.26 73.03 2.07 95.75 72.35 4.33 95.83 73.26 5.06 96.81 2 0 1000.00-999 ?-999 ?-999 ? mPRO.C 118 74.02 3.52 94.29 73.99 4.44 93.92 75.65 1.87 95.09 76.01 2.59 96.01 74.93 2.45 93.88 75.87 3.16 92.91 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 119 75.77 0.54 95.12 75.38 0.08 94.33 77.76 0.43 96.61 78.50 0.84 95.75 76.41 -0.15 96.23-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.C 120 78.07 0.44 97.90 77.31 0.17 98.50 80.42 -0.25 98.00 80.14 -1.44 98.10 79.40 0.81 98.40 79.40 0.99 99.94 3 0 1000.00-999 ?-999 ?-999 ? mTHR.C 121 81.58 0.18 97.53 81.69 1.18 97.49 83.82 -0.67 98.01 84.66 0.23 97.88 82.60 -0.77 97.11 82.96 -0.60 95.59 2 0 1000.00-999 ?-999 ?-999 ? mLEU.C 122 83.92 -1.62 98.94 83.19 -2.31 98.92 86.33 -1.76 99.19 86.46 -2.44 98.15 85.01 -1.64 99.90 84.87 -2.80 100.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU.C 123 87.32 -1.09 99.76 87.07 -0.61 100.61 89.69 -1.68 100.14 89.87 -1.18 101.26 88.65 -1.09 99.19 89.04 0.34 98.76 2 0 1000.00-999 ?-999 ?-999 ? mPHE.C 124 90.34 -2.74 99.68 90.09 -3.00 98.74 92.68 -3.46 99.68 93.76 -3.72 100.24 91.34 -3.48 100.45 90.86 -4.92 100.70 3 0 1000.00-999 ?-999 ?-999 ? mALA.D 0 41.45 2.84 96.09 40.49 2.91 95.80 43.26 3.97 97.37 42.91 5.12 97.04 42.87 2.74 96.52 43.78 2.60 95.30 2 0 1000.00-999 ?-999 ?-999 ? mMETD 1 43.93 3.71 98.49 44.13 2.74 98.62 45.53 5.55 98.84 46.43 4.98 98.23 44.35 4.76 99.42 44.72 4.14 100.77 2 0 1000.00-999 ?-999 ?-999 ? mGLU^D 2 45.54 6.86 99.06 44.80 7.19 99.65 47.72 7.99 99.43 47.52 8.60 100.49 46.55 7.73 98.46 45.89 9.06 98.04 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 3 48.92 7.52 99.08 48.93 7.08 98.19 51.37 8.18 99.28 51.84 7.57 98.33 50.10 7.66 99.98 50.48 6.30 100.68 3 0 1000.00-999 ?-999 ?-999 ? mILE^D 4 51.92 9.28 99.80 51.33 9.76 100.44 54.31 9.20 100.49 54.34 9.63 101.64 53.28 9.73 99.45 53.40 11.29 99.37 3 0 1000.00-999 ?-999 ?-999 ? mARG^D 5 55.15 8.28 100.04 55.06 8.08 99.07 57.49 8.22 100.81 57.92 8.54 99.72 56.11 7.61 100.93 56.23 6.16 100.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 6 58.19 8.33 101.94 57.67 8.17 102.77 60.46 7.43 101.77 59.92 6.32 101.64 59.61 8.68 101.93 59.95 9.49 103.18 2 0 1000.00-999 ?-999 ?-999 ? mGLN.D 7 61.78 7.60 101.75 62.06 8.55 101.87 62.65 5.48 102.73 62.58 5.87 103.91 62.72 6.48 101.58 64.16 7.00 101.47 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 8 62.63 4.19 102.36 62.64 4.04 101.37 63.90 3.22 104.12 64.93 3.63 103.60 62.61 3.10 103.31 62.50 1.72 102.64 2 0 1000.00-999 ?-999 ?-999 ? mPHE^D 9 63.81 2.95 105.39 62.89 2.68 105.68 65.22 1.68 106.85 64.40 1.12 107.58 64.94 3.06 106.29 64.68 4.07 107.41 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 10 66.39 1.14 106.51 66.90 1.66 105.82 67.60 0.14 108.45 68.78 0.52 108.48 66.87 -0.11 107.11 67.78 -0.86 106.15 3 0 1000.00-999 ?-999 ?-999 ? mASN^D 11 66.88 -0.08 109.57 65.94 -0.37 109.40 68.48 -1.03 111.17 69.59 -0.80 111.65 67.43 0.09 110.90 66.32 0.05 111.99 2 0 1000.00-999 ?-999 ?-999 ? mGLN^D 12 68.13 -2.22 110.75 67.30 -2.25 110.20 68.59 -4.47 110.03 67.44 -4.72 109.74 68.90 -3.38 111.05 68.44 -3.82 112.46 2 0 1000.00-999 ?-999 ?-999 ? mTYR^D 13 69.63 -5.13 109.53 70.51 -4.69 109.73 70.61 -7.29 109.15 71.79 -7.03 108.91 69.47 -6.36 108.75 69.48 -6.11 107.23 3 0 1000.00-999 ?-999 ?-999 ? mHIS^D 14 70.24 -8.39 109.79 69.25 -8.54 109.82 71.05 -10.66 109.81 69.96 -11.23 109.84 71.18 -9.27 110.40 70.92 -9.33 111.90 3 0 1000.00-999 ?-999 ?-999 ? mTYR^D 15 72.18 -11.20 109.35 72.95 -10.57 109.34 73.18 -13.37 109.85 74.29 -12.93 110.15 72.27 -12.59 108.89 72.83 -12.66 107.46 3 0 1000.00-999 ?-999 ?-999 ? mASP^D 16 72.71 -14.52 110.31 71.77 -14.73 110.03 73.33 -16.83 110.76 72.18 -17.28 110.53 73.53 -15.38 111.17 73.18 -15.21 112.66 2 0 1000.00-999 ?-999 ?-999 ? mALA^D 17 74.45 -17.55 110.66 75.30 -17.02 110.75 73.71 -19.64 111.61 73.77 -19.18 112.75 74.42 -18.98 110.45 75.80 -19.56 110.26 2 0 1000.00-999 ?-999 ?-999 ? mARG.D 18 73.01 -20.71 111.27 73.05 -20.95 110.30 73.20 -22.08 113.25 74.29 -22.58 112.93 72.25 -21.45 112.22 71.43 -22.52 111.49 2 0 1000.00-999 ?-999 ?-999 ? mASN~D 19 72.80 -22.00 114.51 71.95 -21.49 114.65 72.60 -23.41 116.49 71.83 -22.84 117.28 73.55 -22.63 115.58 74.34 -21.58 116.34 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 20 72.66 -24.73 116.35 73.48 -25.06 115.89 71.67 -25.84 118.35 70.63 -25.85 119.00 71.61 -25.58 116.83 71.56 -26.89 116.01 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 21 72.86 -26.01 118.91 73.62 -26.06 118.26 72.50 -24.84 121.08 71.69 -24.89 122.00 73.00 -26.10 120.39 74.45 -26.40 120.84 2 0 1000.00-999 ?-999 ?-999 ? mTRP~D 22 72.98 -23.70 120.63 73.65 -23.81 119.89 71.04 -22.30 121.33 70.55 -21.82 122.37 72.55 -22.42 121.18 73.06 -21.30 120.29 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 23 70.30 -22.72 120.30 70.84 -23.06 119.53 68.24 -23.68 121.27 67.22 -23.40 121.89 68.84 -22.67 120.31 68.26 -22.92 118.90 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 24 68.84 -24.86 121.42 69.64 -25.00 120.84 68.52 -25.40 123.85 68.10 -26.08 124.77 68.27 -25.83 122.39 68.72 -27.29 122.13 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 25 69.23 -24.28 124.03 69.67 -23.95 123.19 68.30 -22.47 125.32 67.40 -22.44 126.17 69.34 -23.58 125.32 70.74 -22.97 125.51 2 0 1000.00-999 ?-999 ?-999 ? mASN~D 26 68.41 -21.56 124.35 69.12 -21.76 123.68 66.21 -20.53 123.55 65.35 -19.63 123.58 67.55 -20.36 124.31 68.33 -19.18 123.72 2 0 1000.00-999 ?-999 ?-999 ? mGLY~D 27 66.03 -21.68 122.88 66.79 -22.32 122.97 64.94 -21.63 120.60 65.83 -20.86 120.17 64.82 -21.94 122.09-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.D 28 64.05 -22.25 119.82 63.42 -22.85 120.30 63.29 -20.76 118.00 62.15 -20.57 118.44 64.03 -22.06 118.37 63.34 -23.27 117.63 2 0 1000.00-999 ?-999 ?-999 ? mPRO.D 29 63.92 -19.88 117.20 64.91 -19.99 117.11 62.19 -19.44 115.45 62.37 -20.58 115.02 63.14 -18.84 116.51 64.21 -17.95 115.87 3 0 1000.00-999 ?-999 ?-999 ? mLYS.D 30 61.17 -18.66 115.10 61.16 -17.80 115.60 60.10 -17.86 113.07 60.22 -16.70 113.46 60.17 -19.02 114.10 58.78 -19.17 114.75 2 0 1000.00-999 ?-999 ?-999 ? mTHR.D 31 59.91 -18.18 111.79 59.90 -19.16 111.60 58.47 -16.33 111.05 57.38 -16.88 111.20 59.73 -17.15 110.77 59.68 -17.70 109.33 2 0 1000.00-999 ?-999 ?-999 ? mASN^D 32 58.66 -15.01 111.10 59.55 -14.71 110.77 57.88 -12.65 111.07 59.02 -12.19 111.00 57.64 -14.07 111.59 57.64 -14.06 113.13 2 0 1000.00-999 ?-999 ?-999 ? mPHE^D 33 56.79 -11.97 110.70 55.96 -12.53 110.72 55.72 -9.84 111.14 54.58 -10.30 111.28 56.78 -10.56 110.31 56.48 -10.43 108.80 3 0 1000.00-999 ?-999 ?-999 ? mGLU^D 34 56.10 -8.73 111.72 57.05 -8.48 111.57 55.32 -6.52 112.02 56.41 -5.97 111.99 55.19 -7.95 112.51 55.50 -8.11 114.01 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 35 54.19 -5.96 111.61 53.38 -6.54 111.72 53.26 -3.80 111.97 52.17 -4.23 112.35 54.13 -4.62 111.07 53.53 -4.60 109.64 3 0 1000.00-999 ?-999 ?-999 ? mTHR^D 36 53.73 -2.62 112.35 54.67 -2.43 112.05 52.98 -0.31 112.50 53.91 0.00 111.76 52.92 -1.70 113.12 53.37 -1.62 114.60 2 0 1000.00-999 ?-999 ?-999 ? mPHE^D 37 51.98 0.50 112.85 51.34 0.10 113.51 51.66 2.81 113.50 50.76 2.65 114.33 51.83 1.85 112.34 50.64 1.93 111.41 3 0 1000.00-999 ?-999 ?-999 ? mGLN^D 38 52.55 3.78 113.54 53.21 3.74 112.79 52.16 6.12 113.90 52.70 6.49 112.86 52.58 4.81 114.57 54.01 4.96 115.10 2 0 1000.00-999 ?-999 ?-999 ? mLEU^D 39 51.21 6.83 114.50 50.79 6.37 115.28 51.96 9.15 114.43 52.35 9.18 115.58 50.86 8.17 114.02 49.47 8.59 114.53 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 40 52.47 9.91 113.46 51.96 9.85 112.60 53.33 12.24 113.69 53.82 12.98 114.55 53.66 10.75 113.65 54.68 10.47 112.53 2 0 1000.00-999 ?-999 ?-999 ? mASN^D 41 52.51 12.66 112.72 52.26 11.93 112.09 50.64 13.96 111.94 50.32 13.01 111.24 52.02 14.03 112.58 52.93 14.85 111.64 2 0 1000.00-999 ?-999 ?-999 ? mARG^D 42 49.82 14.98 112.18 50.16 15.60 112.89 48.49 16.61 111.00 48.90 17.52 111.73 48.54 15.17 111.47 47.32 14.87 112.37 2 0 1000.00-999 ?-999 ?-999 ? mASP^D 43 48.01 16.80 109.77 47.76 15.95 109.31 46.41 18.23 108.70 46.02 17.77 107.61 47.86 18.11 109.15 48.83 18.24 107.96 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 44 45.60 18.84 109.56 46.08 19.26 110.33 43.74 19.82 108.23 42.66 19.64 107.66 44.15 18.89 109.38 43.46 19.31 110.69 2 0 1000.00-999 ?-999 ?-999 ? mALA.D 45 44.60 20.78 107.92 45.42 20.79 108.50 44.50 21.09 105.46 43.61 21.26 104.62 44.40 21.75 106.84 45.43 22.89 106.95 2 0 1000.00-999 ?-999 ?-999 ? mALA.D 46 45.58 20.33 105.26 46.22 20.34 106.02 45.06 18.21 104.03 44.97 17.54 102.99 45.80 19.57 104.03 47.30 19.35 103.83 2 0 1000.00-999 ?-999 ?-999 ? mLYS.D 47 44.53 17.83 105.19 44.56 18.56 105.87 44.93 15.33 105.19 44.62 14.40 104.43 43.97 16.50 105.47 42.61 16.29 104.78 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 48 46.09 15.39 105.85 46.17 16.21 106.42 47.46 13.78 107.12 47.62 14.53 108.10 47.14 14.36 105.75 48.45 14.95 105.15 3 0 1000.00-999 ?-999 ?-999 ? mTHR^D 49 47.55 12.45 107.20 47.23 11.97 106.39 49.45 11.19 108.06 49.59 10.43 107.11 48.09 11.79 108.39 47.16 10.69 108.91 2 0 1000.00-999 ?-999 ?-999 ? mSER^D 50 50.46 11.58 108.83 50.21 12.25 109.53 51.96 9.88 109.61 51.61 9.99 110.79 51.81 11.06 108.65 52.87 12.12 108.93 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 51 52.44 8.77 109.06 52.76 8.89 108.12 53.93 6.90 109.59 54.49 6.90 108.50 52.52 7.50 109.73 51.45 6.52 109.12 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 52 54.50 6.40 110.69 54.06 6.66 111.54 55.21 4.08 110.62 54.62 3.59 111.61 55.68 5.55 110.62 56.68 5.86 111.77 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 53 55.45 3.40 109.50 55.74 3.98 108.74 56.62 1.28 109.78 57.68 1.71 109.34 55.29 1.93 109.41 54.88 1.52 108.01 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 54 56.55 0.25 110.61 55.62 -0.01 110.87 57.48 -1.93 110.90 56.41 -2.43 111.25 57.74 -0.43 111.08 58.04 -0.08 112.59 3 0 1000.00-999 ?-999 ?-999 ? mLEU^D 55 58.43 -2.61 110.27 59.16 -2.03 109.90 59.59 -4.66 110.93 60.77 -4.34 110.70 58.41 -4.04 110.13 58.53 -4.41 108.65 3 0 1000.00-999 ?-999 ?-999 ? mGLN^D 56 59.24 -5.55 111.84 58.26 -5.61 112.02 60.03 -7.77 111.99 58.92 -8.27 111.86 60.21 -6.37 112.51 60.02 -6.28 114.03 2 0 1000.00-999 ?-999 ?-999 ? mPHE^D 57 61.14 -8.43 111.68 61.99 -8.01 111.99 62.13 -10.63 111.42 63.22 -10.19 111.82 61.05 -9.68 110.94 61.13 -9.40 109.42 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 58 61.78 -11.91 111.45 60.79 -12.05 111.33 62.42 -13.99 110.55 61.26 -14.32 110.34 62.72 -13.02 111.64 62.58 -13.80 112.99 3 0 1000.00-999 ?-999 ?-999 ? mILE^D 59 63.46 -14.42 109.82 64.32 -13.98 110.05 64.21 -16.60 109.14 65.40 -16.41 109.29 63.30 -15.43 108.78 63.69 -14.90 107.37 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 60 63.63 -17.79 109.29 62.65 -17.79 109.09 64.36 -19.99 108.58 63.32 -20.19 107.98 64.36 -18.98 109.73 63.72 -19.59 111.03 3 0 1000.00-999 ?-999 ?-999 ? mARG^D 61 65.53 -20.53 108.25 66.32 -20.11 108.69 66.72 -22.54 107.91 67.35 -22.16 108.87 65.65 -21.65 107.32 66.09 -21.18 105.92 2 0 1000.00-999 ?-999 ?-999 ? mASP.D 62 66.94 -23.72 107.33 66.42 -23.87 106.50 69.28 -24.11 108.09 69.96 -24.45 109.03 67.89 -24.69 107.90 68.02 -25.91 106.97 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 63 69.68 -23.22 107.19 68.97 -22.94 106.55 71.27 -21.37 107.86 72.39 -20.95 108.09 71.05 -22.70 107.13 71.43 -22.53 105.65 2 0 1000.00-999 ?-999 ?-999 ? mPHE^D 64 70.21 -20.67 108.18 69.33 -21.11 108.02 69.21 -18.85 109.49 68.12 -19.38 109.33 70.41 -19.33 108.73 70.67 -18.34 107.58 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 65 69.45 -17.82 110.30 70.41 -17.70 110.54 68.69 -15.52 110.31 69.79 -15.00 110.50 68.41 -16.95 110.79 68.35 -16.91 112.34 3 0 1000.00-999 ?-999 ?-999 ? mILE^D 66 67.69 -14.88 109.72 66.86 -15.41 109.58 66.86 -12.70 110.13 65.71 -13.13 110.30 67.83 -13.49 109.32 67.54 -13.26 107.81 3 0 1000.00-999 ?-999 ?-999 ? mSER^D 67 67.31 -11.55 110.64 68.26 -11.34 110.44 66.71 -9.24 111.17 67.77 -8.84 110.65 66.47 -10.70 111.44 66.61 -11.03 112.97 2 0 1000.00-999 ?-999 ?-999 ? mGLY^D 68 65.74 -8.42 111.56 64.89 -8.84 111.88 64.71 -6.17 111.60 63.63 -6.69 111.89 65.95 -7.00 111.52-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^D 69 64.91 -4.87 111.36 65.86 -4.63 111.13 63.92 -2.88 110.23 64.96 -2.35 109.90 63.85 -3.88 111.42 63.85 -3.13 112.80 3 0 1000.00-999 ?-999 ?-999 ? mILE^D 70 62.79 -2.66 109.59 62.03 -3.21 109.93 61.55 -0.71 108.83 60.51 -1.10 109.38 62.68 -1.70 108.49 62.58 -2.43 107.10 3 0 1000.00-999 ?-999 ?-999 ? mSER^D 71 61.80 0.57 108.57 62.71 0.73 108.17 60.63 2.51 107.60 61.48 2.57 106.69 60.85 1.64 108.83 61.35 2.52 109.99 2 0 1000.00-999 ?-999 ?-999 ? mGLN^D 72 59.48 3.18 107.58 58.90 3.01 108.38 58.06 5.10 106.95 57.04 4.74 107.54 59.10 4.08 106.50 58.56 3.33 105.27 2 0 1000.00-999 ?-999 ?-999 ? mMETD 73 58.34 6.36 106.66 59.25 6.48 106.27 56.49 7.56 105.66 56.96 7.59 104.52 57.43 7.47 106.87 58.23 8.76 107.01 2 0 1000.00-999 ?-999 ?-999 ? mALA^D 74 55.17 7.56 105.90 54.94 7.44 106.87 53.15 8.79 105.19 52.72 8.90 106.32 54.17 7.72 104.82 53.48 6.42 104.53 2 0 1000.00-999 ?-999 ?-999 ? mHIS^D 75 52.76 9.59 104.21 53.14 9.33 103.32 50.62 10.32 103.67 50.60 10.35 102.44 51.87 10.71 104.41 52.49 11.99 103.83 3 0 1000.00-999 ?-999 ?-999 ? mILE^D 76 49.59 9.92 104.41 49.73 9.99 105.39 47.51 10.59 103.39 47.25 11.46 104.21 48.37 9.41 103.79 47.60 8.48 104.74 3 0 1000.00-999 ?-999 ?-999 ? mGLN^D 77 47.11 10.63 102.11 47.31 9.80 101.60 44.93 11.70 101.71 44.34 10.66 101.43 46.44 11.81 101.55 46.79 11.99 100.05 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 78 44.31 12.79 102.16 44.93 13.53 102.43 42.27 11.98 103.32 41.15 11.49 103.18 42.85 12.88 102.24-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.D 79 43.05 11.75 104.37 43.98 12.12 104.29 43.15 11.67 106.79 44.32 12.11 106.81 42.58 11.01 105.54 43.01 9.54 105.49 2 0 1000.00-999 ?-999 ?-999 ? mLEU.D 80 42.31 11.77 107.81 41.35 11.61 107.56 42.41 10.86 109.99 41.24 10.57 110.28 42.74 12.08 109.15 42.09 13.35 109.70 3 0 1000.00-999 ?-999 ?-999 ? mILE.D 81 43.47 10.14 110.33 44.34 10.54 110.06 43.82 9.17 112.47 44.90 9.72 112.71 43.37 8.90 111.04 44.23 7.83 110.37 3 0 1000.00-999 ?-999 ?-999 ? mASN.D 82 42.97 8.78 113.40 42.18 8.27 113.05 43.63 7.81 115.54 44.21 7.91 116.64 43.16 9.08 114.79 41.86 9.68 115.35 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 83 43.40 6.63 114.98 42.76 6.64 114.21 44.38 4.34 114.40 43.63 4.21 113.43 44.08 5.41 115.47 43.35 4.81 116.66 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 84 45.52 3.62 114.56 46.03 3.83 115.39 44.88 1.60 113.17 44.79 1.26 112.00 45.95 2.61 113.57 47.13 1.93 114.26 3 0 1000.00-999 ?-999 ?-999 ? mSER~D 85 44.07 1.15 114.13 44.25 1.53 115.03 41.93 0.71 112.90 41.09 -0.06 112.42 43.01 0.19 113.84 42.36 -0.30 115.14 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 86 41.92 2.02 112.63 42.56 2.58 113.15 41.30 1.91 110.24 40.35 1.66 109.46 41.01 2.53 111.61 41.05 4.06 111.52 2 0 1000.00-999 ?-999 ?-999 ? mPHE~D 87 42.58 1.65 109.94 43.23 1.91 110.66 42.25 -0.26 108.40 42.16 -1.09 109.29 42.98 1.05 108.66 44.48 0.73 108.61 3 0 1000.00-999 ?-999 ?-999 ? mSER~D 88 41.78 -0.44 107.16 41.75 0.39 106.61 42.53 -2.71 106.45 43.69 -2.29 106.34 41.35 -1.76 106.68 40.60 -1.64 105.36 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 89 42.21 -3.99 106.34 41.24 -4.17 106.51 43.94 -4.68 104.71 45.16 -4.87 104.63 43.17 -5.04 105.99 42.44 -6.39 105.83 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 90 43.23 -4.15 103.72 42.25 -4.05 103.93 44.75 -2.54 102.58 45.76 -2.47 101.90 43.83 -3.76 102.46 42.75 -3.51 101.40 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 91 44.38 -1.60 103.46 43.50 -1.76 103.90 46.51 -0.82 104.46 47.56 -0.25 104.19 45.22 -0.45 103.72 44.43 0.63 104.46 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 92 46.42 -1.80 105.35 45.48 -2.12 105.49 48.56 -3.04 105.10 49.78 -2.82 105.18 47.57 -2.36 106.07 47.14 -3.37 107.18 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 93 48.04 -3.89 104.22 47.05 -4.02 104.32 49.55 -3.54 102.24 50.71 -3.72 101.83 48.89 -4.55 103.19 48.11 -5.64 102.42 2 0 1000.00-999 ?-999 ?-999 ? mASN~D 94 48.79 -2.49 101.90 47.85 -2.58 102.24 50.46 -0.67 101.81 51.52 -0.47 101.18 49.26 -1.33 101.13 48.07 -0.33 100.95 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 95 50.30 -0.38 103.10 49.42 -0.67 103.47 52.54 -0.60 104.18 53.68 -0.12 104.24 51.32 0.29 103.89 50.71 0.79 105.21 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 96 52.29 -1.90 104.36 51.33 -2.15 104.28 54.17 -3.21 103.41 55.35 -3.58 103.53 53.36 -2.84 104.65 52.79 -4.07 105.29 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 97 53.56 -3.14 102.23 52.68 -2.66 102.25 55.59 -3.31 100.73 56.42 -4.15 100.47 54.14 -3.72 101.01 53.27 -3.44 99.76 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 98 55.88 -2.01 100.77 55.12 -1.39 101.00 58.30 -2.06 101.53 59.48 -2.22 101.20 57.25 -1.59 100.48 57.15 -0.07 100.43 3 0 1000.00-999 ?-999 ?-999 ? mLEU~D 99 57.88 -2.27 102.77 56.90 -2.11 102.93 59.13 -4.18 103.54 60.27 -4.59 103.60 58.81 -2.71 103.79 58.24 -2.50 105.18 3 0 1000.00-999 ?-999 ?-999 ? mLEU~D 100 58.10 -4.96 103.23 57.21 -4.50 103.23 59.13 -6.56 101.65 59.91 -7.50 101.53 58.29 -6.39 102.92 56.93 -7.06 102.77 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 101 58.98 -5.63 100.71 58.32 -4.92 100.93 61.28 -5.52 99.67 62.06 -6.23 99.05 59.76 -5.69 99.46 59.20 -4.70 98.43 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 102 61.67 -4.59 100.55 60.92 -4.04 100.93 63.71 -5.67 101.49 64.81 -6.05 101.11 63.09 -4.40 100.93 63.30 -3.24 101.99 3 0 1000.00-999 ?-999 ?-999 ? mVAL~D 103 62.98 -6.32 102.39 62.08 -5.91 102.55 63.61 -8.62 102.01 64.59 -9.32 102.00 63.45 -7.53 103.05 62.50 -7.95 104.22 3 0 1000.00-999 ?-999 ?-999 ? mLYS~D 104 62.64 -8.72 101.11 61.89 -8.08 101.27 63.97 -9.51 99.18 64.68 -10.47 98.88 62.69 -9.68 100.00 61.44 -9.51 99.10 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 105 64.25 -8.26 98.80 63.60 -7.58 99.15 66.75 -8.19 98.68 67.70 -8.72 98.10 65.40 -7.93 97.96 65.32 -6.47 97.53 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 106 66.81 -7.79 99.95 65.98 -7.35 100.29 68.25 -9.46 100.94 69.39 -9.86 100.88 67.99 -7.99 100.77 67.86 -7.31 102.16 3 0 1000.00-999 ?-999 ?-999 ? mTHR~D 107 67.21 -10.24 101.24 66.35 -9.73 101.27 67.75 -12.44 100.24 68.59 -13.34 100.31 67.32 -11.70 101.48 65.98 -12.23 102.05 2 0 1000.00-999 ?-999 ?-999 ? mTYR~D 108 67.21 -12.04 99.09 66.54 -11.30 99.17 69.07 -12.47 97.60 69.76 -13.45 97.35 67.59 -12.64 97.83 66.78 -12.04 96.68 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 109 69.55 -11.23 97.70 68.87 -10.54 97.95 71.89 -11.57 98.50 72.88 -12.17 98.15 70.97 -10.93 97.47 71.24 -9.40 97.42 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 110 71.53 -11.47 99.77 70.64 -11.04 99.93 72.47 -13.48 100.79 73.57 -14.05 100.87 72.39 -11.95 100.82 71.93 -11.39 102.21 3 0 1000.00-999 ?-999 ?-999 ? mTHR~D 111 71.33 -14.16 100.62 70.51 -13.60 100.54 72.04 -16.18 99.32 72.73 -17.23 99.38 71.36 -15.64 100.56 69.95 -16.27 100.77 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 112 71.88 -15.49 98.19 71.26 -14.71 98.26 74.11 -15.90 97.20 74.80 -16.84 96.80 72.58 -15.87 96.98 72.15 -14.92 95.82 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 113 74.64 -14.86 97.84 73.96 -14.18 98.13 76.54 -15.71 99.19 77.57 -16.37 99.02 76.07 -14.74 98.09 76.44 -13.30 98.51 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 114 75.79 -15.78 100.29 74.93 -15.27 100.21 76.16 -18.04 101.26 77.09 -18.70 101.65 76.16 -16.54 101.48 75.25 -16.18 102.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 115 75.14 -18.54 100.57 74.53 -17.84 100.19 75.34 -20.40 99.01 75.39 -21.60 98.73 74.90 -19.94 100.39 73.41 -20.22 100.56 3 0 1000.00-999 ?-999 ?-999 ? mASP~D 116 75.70 -19.45 98.16 75.66 -18.52 98.53 75.24 -20.88 96.26 75.67 -22.02 96.06 76.10 -19.74 96.80 77.60 -20.04 96.71 2 0 1000.00-999 ?-999 ?-999 ? mARG.D 117 73.97 -20.53 96.12 73.79 -19.60 96.44 71.81 -20.36 95.38 71.90 -19.29 95.99 72.93 -21.38 95.55 72.58 -22.58 96.48 2 0 1000.00-999 ?-999 ?-999 ? mPRO.D 118 70.79 -20.67 94.56 70.76 -21.61 94.24 69.26 -18.91 95.41 68.85 -19.57 96.36 69.82 -19.63 94.18 68.72 -20.42 93.45 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 119 69.27 -17.58 95.41 69.69 -17.16 94.60 67.27 -17.16 96.87 66.44 -17.48 96.01 68.72 -16.83 96.50-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.D 120 66.97 -17.03 98.16 67.75 -16.78 98.74 64.73 -16.15 98.18 65.10 -14.97 98.19 65.64 -17.25 98.69 65.67 -17.22 100.24 3 0 1000.00-999 ?-999 ?-999 ? mTHR.D 121 63.54 -16.53 97.74 63.39 -17.51 97.78 61.33 -15.63 98.15 60.48 -16.52 98.01 62.56 -15.58 97.25 62.19 -15.85 95.77 2 0 1000.00-999 ?-999 ?-999 ? mLEU.D 122 61.24 -14.68 99.07 62.01 -14.04 99.07 58.82 -14.21 99.23 58.86 -13.48 98.24 60.11 -14.59 99.99 60.37 -13.53 101.08 3 0 1000.00-999 ?-999 ?-999 ? mGLU.D 123 57.70 -14.75 99.69 57.84 -15.59 100.21 55.42 -14.68 100.51 54.56 -13.90 101.00 56.39 -14.16 99.44 55.88 -14.47 98.04 2 0 1000.00-999 ?-999 ?-999 ?