HEADER UNKNOWN FUNCTION 04-DEC-06 2O4T COMPND BH3976 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 15-113; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; SOURCE 3 ORGANISM_TAXID: 86665; SOURCE 4 GENE: 10176601; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET PEG A 1 7 HET PEG A 2 7 SITE 1 AC1 4 GLU A 33 TYR A 37 VAL A 78 HOH A 148 SITE 1 AC2 4 ASP A 72 VAL A 73 THR A 74 PHE A 81 mHIS.A 16 16.59 19.49 45.90 16.34 20.37 45.50 16.85 17.04 45.44 15.99 17.10 44.55 16.97 18.16 46.49 16.06 17.83 47.70 3 0 27.36-999 ?-999 ?-999 ? O1 PEG A 1 mVAL.A 17 17.71 16.00 45.56 18.37 16.04 46.32 17.84 13.54 45.27 18.43 13.45 46.34 17.64 14.91 44.61 18.63 15.07 43.40 3 0 23.62-999 ?-999 ?-999 ? O1 PEG A 1 mSER~A 18 17.27 12.56 44.59 16.73 12.82 43.79 18.96 10.93 45.21 19.83 11.29 44.40 17.46 11.24 45.03 16.83 10.29 44.05 2 0 20.42-999 ?-999 ?-999 ? O1 PEG A 1 mARG~A 19 19.27 10.27 46.33 18.51 10.13 46.96 21.13 8.84 45.52 22.33 8.67 45.39 20.63 9.78 46.57 20.74 9.16 47.96 2 0 19.28-999 ?-999 ?-999 ? O1 PEG A 1 mVAL~A 20 20.22 8.22 44.78 19.28 8.35 45.07 21.38 8.29 42.61 22.44 7.87 42.10 20.62 7.42 43.63 19.40 6.71 42.97 3 0 15.89-999 ?-999 ?-999 ? O1 PEG A 1 mGLU~A 21 20.88 9.50 42.35 20.06 9.74 42.86 22.84 10.96 41.95 23.59 11.57 41.22 21.52 10.37 41.39 20.57 11.48 40.91 2 0 17.96-999 ?-999 ?-999 ? O1 PEG A 1 mLYS~A 22 23.12 10.76 43.24 22.41 10.27 43.74 25.46 10.18 43.81 26.59 10.44 44.20 24.37 11.26 43.83 24.16 11.74 45.26 2 0 19.60-999 ?-999 ?-999 ? O1 PEG A 1 mLEU~A 23 25.11 8.96 43.41 24.14 8.84 43.21 27.10 8.20 42.16 26.77 8.85 41.19 26.12 7.92 43.29 25.47 6.55 43.02 3 0 16.64-999 ?-999 ?-999 ? O1 PEG A 1 mPRO~A 24 28.32 7.65 42.25 28.56 7.21 43.12 28.51 7.11 39.85 27.67 6.20 40.01 29.18 7.76 41.06 30.44 6.99 41.47 3 0 16.88-999 ?-999 ?-999 ? O1 PEG A 1 mLYS~A 25 28.87 7.55 38.66 29.62 8.21 38.67 28.20 5.58 37.28 27.19 5.02 36.91 28.19 7.10 37.45 28.77 7.78 36.20 2 0 15.49-999 ?-999 ?-999 ? O1 PEG A 1 mASP~A 26 29.32 4.91 37.61 30.06 5.46 37.99 28.47 2.70 38.36 27.85 1.71 37.97 29.39 3.47 37.39 30.84 2.99 37.44 2 0 12.74-999 ?-999 ?-999 ? C1 PEG A 1 mTYR~A 27 28.36 3.18 39.60 29.01 3.91 39.81 25.96 2.87 40.01 25.14 1.97 40.13 27.39 2.68 40.56 27.52 3.39 41.92 3 0 11.57-999 ?-999 ?-999 ? O1 PEG A 1 mGLN~A 28 25.66 4.03 39.43 26.39 4.71 39.43 23.99 3.24 37.71 22.88 2.70 37.63 24.33 4.25 38.84 24.20 5.67 38.31 2 0 11.69-999 ?-999 ?-999 ? O1 PEG A 1 mILE~A 29 24.94 3.01 36.82 25.77 3.55 36.93 24.40 0.64 36.40 23.43 0.03 35.99 24.76 2.02 35.79 26.05 1.81 34.96 3 0 9.68-999 ?-999 ?-999 ? O1 PEG A 1 mVAL~A 30 25.14 0.18 37.38 25.84 0.83 37.69 23.54 -1.11 38.71 22.75 -2.02 38.61 24.90 -1.16 37.95 26.06 -1.69 38.83 3 0 6.62-999 ?-999 ?-999 ? O1 PEG A 1 mTYR~A 31 23.23 0.01 39.38 23.92 0.72 39.37 20.75 -0.03 39.12 19.74 -0.67 39.46 21.93 0.11 40.07 21.82 1.42 40.87 3 0 7.71-999 ?-999 ?-999 ? O1 PEG A 1 mLYS~A 32 20.87 0.58 37.94 21.70 1.11 37.81 19.72 -1.02 36.49 18.64 -1.50 36.32 19.82 0.44 36.94 19.99 1.37 35.72 2 0 7.95-999 ?-999 ?-999 ? O1 PEG A 1 mGLU~A 33 20.83 -1.73 36.29 21.68 -1.22 36.39 19.94 -3.86 37.07 19.07 -4.72 36.81 20.72 -3.14 35.94 22.12 -3.74 35.77 2 0 -4.51-999 ?-999 ?-999 ? O1 PEG A 1s mILE~A 34 20.25 -3.49 38.30 20.90 -2.73 38.33 18.21 -3.99 39.63 17.50 -4.98 39.86 19.70 -4.15 39.51 20.43 -3.72 40.81 3 0 4.36-999 ?-999 ?-999 ? O1 PEG A 1 mGLN~A 35 17.72 -2.77 39.40 18.40 -2.07 39.20 15.53 -3.42 38.50 14.44 -3.88 38.82 16.29 -2.51 39.44 16.00 -1.03 39.17 2 0 7.71-999 ?-999 ?-999 ? O1 PEG A 1 mLYS~A 36 16.08 -3.66 37.31 16.98 -3.24 37.18 15.35 -5.95 36.72 14.32 -6.62 36.65 15.41 -4.48 36.29 16.18 -4.36 34.93 2 0 7.32-999 ?-999 ?-999 ? O1 PEG A 1 mTYR~A 37 16.51 -6.44 37.10 17.26 -5.79 37.00 15.74 -8.08 38.80 15.03 -9.06 38.79 16.67 -7.78 37.62 18.12 -7.96 38.05 3 0 -5.49-999 ?-999 ?-999 ? O1 PEG A 1s mLEU~A 38 15.69 -7.19 39.78 16.19 -6.34 39.60 13.48 -7.42 40.75 12.74 -8.21 41.29 14.95 -7.47 41.00 15.29 -6.49 42.10 3 0 8.00-999 ?-999 ?-999 ? O1 PEG A 1 mPHE~A 39 13.05 -6.49 39.92 13.74 -5.80 39.68 11.29 -7.86 38.86 10.21 -8.33 39.14 11.70 -6.49 39.42 11.56 -5.44 38.33 3 0 10.63-999 ?-999 ?-999 ? O1 PEG A 1 mLYS~A 40 12.15 -8.49 38.07 13.00 -7.98 37.92 12.07 -10.97 38.44 11.40 -11.97 38.27 11.88 -9.79 37.47 12.77 -9.98 36.20 2 0 10.58-999 ?-999 ?-999 ? O1 PEG A 1 mVAL~A 41 12.98 -10.90 39.40 13.48 -10.03 39.42 13.00 -11.77 41.84 13.02 -12.68 42.66 13.20 -12.06 40.33 14.59 -12.73 40.14 3 0 10.58-999 ?-999 ?-999 ? O1 PEG A 1 mGLY~A 42 12.76 -10.51 42.19 12.63 -9.88 41.44 11.31 -10.13 44.14 10.36 -10.47 43.42 12.72 -10.15 43.61-999.99-999.99-999.99 1 0 11.63-999 ?-999 ?-999 ? O1 PEG A 1 mPRO.A 43 11.14 -9.68 45.40 11.98 -9.42 45.89 8.88 -8.85 45.04 9.24 -7.83 44.47 9.81 -9.59 45.99 10.02 -8.75 47.27 3 0 15.17-999 ?-999 ?-999 ? O1 PEG A 1 mVAL.A 44 7.67 -9.36 44.88 7.50 -10.19 45.42 6.01 -7.57 44.69 5.34 -6.72 44.05 6.69 -8.73 43.99 5.62 -9.75 43.52 3 0 16.83-999 ?-999 ?-999 ? O1 PEG A 1 mGLU~A 45 6.12 -7.53 46.00 6.78 -8.17 46.41 6.03 -5.26 46.68 7.23 -5.20 46.77 5.31 -6.58 46.75 5.15 -6.97 48.22 2 0 19.22-999 ?-999 ?-999 ? O1 PEG A 1 mLEU~A 46 5.28 -4.18 46.53 4.30 -4.38 46.56 6.80 -2.43 47.46 7.92 -1.98 47.24 5.86 -2.83 46.34 4.69 -1.83 46.31 3 0 19.02-999 ?-999 ?-999 ? O1 PEG A 1 mASN~A 47 6.35 -2.62 48.68 5.47 -3.09 48.71 8.30 -2.98 50.19 9.37 -2.43 50.50 7.09 -2.18 49.87 6.14 -2.21 51.07 2 0 20.12-999 ?-999 ?-999 ? O1 PEG A 1 mGLU~A 48 8.16 -4.29 50.11 7.24 -4.63 49.91 10.36 -4.90 49.18 11.59 -5.00 49.40 9.32 -5.12 50.30 8.91 -6.59 50.37 2 0 18.24-999 ?-999 ?-999 ? O1 PEG A 1 mGLY~A 49 9.85 -4.71 47.96 8.86 -4.83 47.91 11.48 -3.08 47.03 12.66 -3.04 46.78 10.67 -4.35 46.80-999.99-999.99-999.99 1 0 15.04-999 ?-999 ?-999 ? O1 PEG A 1 mILE~A 50 10.86 -2.02 47.48 9.87 -2.14 47.60 12.55 -0.92 48.95 13.61 -0.29 49.01 11.61 -0.79 47.76 10.64 0.39 48.05 3 0 16.03-999 ?-999 ?-999 ? O1 PEG A 1 mGLY~A 51 12.18 -1.74 49.92 11.27 -2.14 49.83 14.35 -2.64 50.51 15.44 -2.38 51.00 13.08 -2.00 51.01-999.99-999.99-999.99 1 0 17.08-999 ?-999 ?-999 ? O1 PEG A 1 mLEU~A 52 14.22 -3.54 49.56 13.29 -3.65 49.21 16.36 -3.34 48.29 17.58 -3.33 48.46 15.39 -4.29 49.08 14.88 -5.44 48.24 3 0 13.73-999 ?-999 ?-999 ? O1 PEG A 1 mLEU~A 53 15.76 -2.57 47.41 14.79 -2.80 47.33 17.05 -0.51 47.52 18.20 -0.13 47.23 16.37 -1.51 46.63 15.27 -0.79 45.83 3 0 12.20-999 ?-999 ?-999 ? O1 PEG A 1 mSER~A 54 16.36 -0.11 48.61 15.43 -0.49 48.69 18.22 0.24 50.19 19.22 0.86 50.29 16.96 0.83 49.59 16.01 1.16 50.69 2 0 15.41-999 ?-999 ?-999 ? O1 PEG A 1 mGLU~A 55 18.13 -1.00 50.59 17.22 -1.41 50.51 20.47 -1.78 50.13 21.63 -1.57 50.53 19.28 -1.70 51.11 18.84 -3.07 51.55 2 0 13.39-999 ?-999 ?-999 ? C4 PEG A 2 mILE~A 56 20.18 -2.08 48.87 19.21 -2.21 48.67 21.84 -0.84 47.70 23.03 -0.71 47.61 21.24 -2.19 47.89 20.74 -2.76 46.56 3 0 11.26-999 ?-999 ?-999 ? C4 PEG A 2 mLEU~A 57 21.00 0.19 47.62 20.03 -0.04 47.60 22.50 1.90 48.69 23.53 2.55 48.43 21.50 1.55 47.58 20.31 2.55 47.57 3 0 13.35-999 ?-999 ?-999 ? O1 PEG A 1 mGLY~A 58 22.22 1.52 49.93 21.32 1.09 50.04 24.49 0.96 50.86 25.54 1.47 51.23 23.17 1.72 51.00-999.99-999.99-999.99 1 0 14.07-999 ?-999 ?-999 ? O2 PEG A 2 mPHE~A 59 24.44 -0.29 50.43 23.52 -0.69 50.40 26.48 -0.06 49.12 27.68 0.11 49.29 25.69 -0.99 50.04 25.42 -2.23 49.22 3 0 10.35-999 ?-999 ?-999 ? O2 PEG A 2 mPHE~A 60 25.79 0.56 48.17 24.80 0.46 48.24 27.00 2.61 47.61 28.12 3.03 47.24 26.45 1.30 47.12 25.46 1.54 45.96 3 0 11.72-999 ?-999 ?-999 ? C1 PEG A 2 mGLU~A 61 26.21 3.29 48.42 25.30 2.89 48.56 27.90 4.29 49.90 28.83 5.11 49.84 26.65 4.51 49.04 25.53 5.07 49.89 2 0 14.64-999 ?-999 ?-999 ? C1 PEG A 2 mGLU~A 62 27.91 3.24 50.72 27.08 2.69 50.70 30.27 2.49 50.74 31.42 2.86 51.04 29.09 2.95 51.57 28.79 1.92 52.67 2 0 13.04-999 ?-999 ?-999 ? C1 PEG A 2 mGLY~A 63 29.99 1.71 49.69 29.06 1.36 49.68 31.70 2.61 48.10 32.92 2.71 48.12 30.99 1.39 48.67-999.99-999.99-999.99 1 0 10.45-999 ?-999 ?-999 ? C1 PEG A 2 mALA~A 64 30.92 3.56 47.59 29.95 3.31 47.55 32.31 5.53 48.19 33.44 5.95 47.90 31.47 4.84 47.14 30.35 5.77 46.68 2 0 13.72-999 ?-999 ?-999 ? C1 PEG A 2 mALA~A 65 31.78 5.68 49.40 30.87 5.27 49.47 33.78 5.69 50.91 34.76 6.34 51.32 32.47 6.38 50.51 31.55 6.47 51.73 2 0 15.62-999 ?-999 ?-999 ? C1 PEG A 2 mALA~A 66 33.78 4.38 50.78 32.91 4.00 50.46 35.99 3.58 49.96 37.05 3.01 50.12 34.94 3.56 51.09 34.49 2.13 51.39 2 0 13.32-999 ?-999 ?-999 ? C1 PEG A 2 mGLY.A 67 35.69 4.22 48.82 34.78 4.65 48.82 36.69 3.03 46.83 37.64 2.83 46.09 36.62 4.28 47.69-999.99-999.99-999.99 1 0 13.54-999 ?-999 ?-999 ? O1 PEG A 2 mLYS.A 68 35.66 2.18 46.94 34.97 2.49 47.59 34.90 1.24 44.85 34.07 2.16 44.73 35.53 0.94 46.19 34.57 -0.05 46.90 2 0 9.98-999 ?-999 ?-999 ? O1 PEG A 2 mGLY~A 69 35.27 0.46 43.84 36.07 -0.11 44.03 33.32 -0.43 42.79 33.37 -1.38 43.57 34.54 0.44 42.57-999.99-999.99-999.99 1 0 10.06-999 ?-999 ?-999 ? O1 PEG A 2 mVAL~A 70 32.24 -0.14 42.08 32.35 0.64 41.46 31.16 -2.40 42.14 30.46 -3.13 42.86 31.00 -0.89 42.21 29.92 -0.45 41.17 3 0 9.30-999 ?-999 ?-999 ? O1 PEG A 2 mLEU~A 71 32.00 -2.90 41.25 32.50 -2.23 40.70 32.90 -4.95 42.28 32.83 -6.17 42.51 32.13 -4.35 41.12 32.74 -4.73 39.78 3 0 7.02-999 ?-999 ?-999 ? O1 PEG A 2 mASP~A 72 33.63 -4.12 43.03 33.74 -3.20 42.64 33.15 -4.70 45.43 33.41 -5.34 46.44 34.19 -4.54 44.31 35.27 -3.56 44.78 2 0 -4.80-999 ?-999 ?-999 ? O1 PEG A 2s mVAL~A 73 32.00 -4.07 45.26 31.99 -3.48 44.46 30.02 -5.46 45.77 29.75 -6.34 46.59 30.86 -4.24 46.17 29.98 -2.98 46.16 3 0 -4.91-999 ?-999 ?-999 ? C1 PEG A 2s mTHR~A 74 29.62 -5.51 44.51 29.96 -4.75 43.94 29.50 -7.84 43.64 28.95 -8.95 43.71 28.75 -6.60 44.03 27.95 -6.17 42.79 2 0 -4.73-999 ?-999 ?-999 ? O2 PEG A 2s mGLY~A 75 30.76 -7.69 43.23 31.19 -6.83 43.51 30.97 -8.68 40.97 30.01 -7.97 40.65 31.42 -8.75 42.44-999.99-999.99-999.99 1 0 4.26-999 ?-999 ?-999 ? C2 PEG A 2 mTHR.A 76 31.64 -9.40 40.07 32.34 -9.99 40.46 30.01 -9.94 38.27 29.32 -9.53 37.32 31.35 -9.29 38.63 32.48 -9.82 37.75 2 0 7.93-999 ?-999 ?-999 ? C2 PEG A 2 mASP~A 77 29.63 -10.91 39.10 30.32 -11.12 39.80 27.35 -10.84 39.85 27.05 -11.21 41.00 28.36 -11.59 39.02 28.55 -13.04 39.48 2 0 6.55-999 ?-999 ?-999 ? C4 PEG A 1 mVAL~A 78 26.88 -9.73 39.28 27.26 -9.50 38.38 24.58 -9.65 40.21 23.93 -9.36 41.22 25.89 -8.93 39.92 25.61 -7.63 39.11 3 0 -4.59-999 ?-999 ?-999 ? C1 PEG A 1s mALA~A 79 24.12 -10.49 39.32 24.65 -10.54 38.48 23.12 -12.11 40.88 22.24 -12.15 41.72 22.91 -11.26 39.62 22.46 -12.11 38.45 2 0 4.70-999 ?-999 ?-999 ? O1 PEG A 1 mALA~A 80 24.28 -12.78 41.02 24.90 -12.72 40.24 24.49 -12.68 43.55 24.09 -13.20 44.60 24.56 -13.52 42.27 25.87 -14.26 42.18 2 0 5.36-999 ?-999 ?-999 ? O4 PEG A 2 mPHE~A 81 24.81 -11.39 43.44 25.09 -11.12 42.52 23.34 -10.20 44.90 22.99 -10.24 46.07 24.76 -10.43 44.53 25.38 -9.09 44.08 3 0 -3.65-999 ?-999 ?-999 ? O4 PEG A 2s mCYH~A 82 22.51 -9.93 43.91 22.95 -9.86 43.01 20.48 -11.02 44.74 19.71 -10.92 45.69 21.10 -9.75 44.14 20.42 -9.41 42.83 2 0 6.98-999 ?-999 ?-999 ? O4 PEG A 2 mASP~A 83 20.80 -12.16 44.17 21.46 -12.05 43.42 20.50 -13.76 46.08 19.68 -14.37 46.75 20.25 -13.47 44.58 20.88 -14.60 43.77 2 0 7.35-999 ?-999 ?-999 ? O4 PEG A 2 mALA~A 84 21.64 -13.32 46.61 22.23 -12.84 45.97 21.11 -12.70 48.97 20.99 -13.02 50.14 21.95 -13.55 48.01 23.48 -13.39 48.27 2 0 5.54-999 ?-999 ?-999 ? O4 PEG A 2 mLEU~A 85 20.48 -11.65 48.46 20.66 -11.49 47.49 18.10 -11.14 49.14 17.28 -10.56 49.84 19.59 -10.82 49.28 19.84 -9.35 48.99 3 0 8.07-999 ?-999 ?-999 ? O4 PEG A 2 mILE.A 86 17.76 -12.11 48.29 18.55 -12.54 47.85 16.03 -13.86 48.65 14.86 -14.24 48.67 16.38 -12.49 48.03 16.15 -12.56 46.50 3 0 10.85-999 ?-999 ?-999 ? O4 PEG A 2 mGLY.A 87 17.03 -14.60 49.13 17.93 -14.17 49.04 15.67 -16.07 50.76 15.25 -17.21 51.06 16.81 -15.92 49.75-999.99-999.99-999.99 1 0 11.43-999 ?-999 ?-999 ? O4 PEG A 2 mASP.A 88 15.19 -14.96 51.32 15.68 -14.14 51.05 13.60 -13.48 52.47 14.18 -12.53 51.89 14.04 -14.94 52.25 14.41 -15.61 53.61 2 0 14.50-999 ?-999 ?-999 ? O4 PEG A 2 mSER~A 89 12.59 -13.27 53.32 12.15 -14.10 53.66 12.26 -11.69 55.22 11.46 -10.93 55.77 12.19 -11.90 53.69 10.77 -11.65 53.19 2 0 16.49-999 ?-999 ?-999 ? O4 PEG A 2 mLYS~A 90 13.17 -12.40 55.89 13.71 -13.02 55.31 13.78 -10.87 57.73 13.44 -10.34 58.79 13.33 -12.28 57.35 14.37 -13.26 57.88 2 0 17.42-999 ?-999 ?-999 ? O4 PEG A 2 mTHR~A 91 14.55 -10.30 56.84 14.68 -10.83 56.00 14.09 -7.92 57.05 14.00 -7.09 57.95 15.16 -9.00 57.08 16.22 -8.73 56.04 2 0 16.13-999 ?-999 ?-999 ? O4 PEG A 2 mTYR~A 92 13.26 -7.94 56.02 13.49 -8.62 55.33 11.20 -7.19 57.12 10.73 -6.22 57.70 12.11 -7.02 55.95 11.31 -7.21 54.66 3 0 18.34-999 ?-999 ?-999 ? O4 PEG A 2 mALA~A 93 10.88 -8.43 57.43 11.32 -9.11 56.84 10.38 -8.20 59.88 9.56 -7.71 60.67 9.96 -8.77 58.52 9.86 -10.31 58.63 2 0 21.10-999 ?-999 ?-999 ? O4 PEG A 2 mASP~A 94 11.68 -8.33 60.13 12.17 -8.83 59.42 12.11 -6.25 61.40 11.61 -5.73 62.39 12.34 -7.78 61.33 13.84 -8.10 61.23 2 0 21.20-999 ?-999 ?-999 ? C4 PEG A 2 mLEU~A 95 12.49 -5.57 60.36 12.85 -6.13 59.62 10.96 -3.64 60.44 10.67 -2.63 61.11 12.39 -4.11 60.32 13.05 -3.57 59.07 3 0 21.43-999 ?-999 ?-999 ? C4 PEG A 2 mTYR~A 96 10.05 -4.42 59.85 10.42 -5.19 59.34 8.11 -4.30 61.36 7.44 -3.40 61.89 8.63 -4.14 59.95 7.88 -5.07 58.99 3 0 24.10-999 ?-999 ?-999 ? O4 PEG A 2 mGLN~A 97 8.39 -5.45 61.98 8.94 -6.08 61.44 8.49 -4.76 64.35 7.81 -4.38 65.31 7.90 -5.73 63.33 8.18 -7.19 63.72 2 0 26.18-999 ?-999 ?-999 ? C4 PEG A 2 mGLU~A 98 9.73 -4.33 64.14 10.15 -4.67 63.29 9.71 -2.05 65.06 9.47 -1.46 66.11 10.37 -3.44 65.09 11.90 -3.39 64.88 2 0 26.11-999 ?-999 ?-999 ? C4 PEG A 2 mSER~A 99 9.36 -1.59 63.85 9.58 -2.20 63.10 7.39 -0.22 64.40 7.09 0.76 65.08 8.72 -0.28 63.67 8.52 0.02 62.19 2 0 27.45-999 ?-999 ?-999 ? C4 PEG A 2 mILE~A 100 6.59 -1.26 64.27 6.93 -1.96 63.63 5.55 -1.34 66.54 5.02 -0.48 67.23 5.33 -1.36 65.02 4.59 -2.65 64.66 3 0 30.31-999 ?-999 ?-999 ? C4 PEG A 2 mGLN~A 101 6.35 -2.28 67.05 6.65 -2.96 66.38 7.07 -0.89 68.97 6.75 -0.54 70.11 6.73 -2.29 68.48 7.93 -3.22 68.75 2 0 31.20-999 ?-999 ?-999 ? C4 PEG A 2 mGLN~A 102 7.74 -0.10 68.14 8.02 -0.53 67.28 6.81 2.20 68.35 6.48 2.90 69.30 8.02 1.28 68.48 9.19 1.80 67.65 2 0 31.57-999 ?-999 ?-999 ? C4 PEG A 2 mHIS~A 103 6.13 2.20 67.20 6.44 1.52 66.53 4.08 3.17 68.18 3.38 4.15 68.37 5.02 3.15 66.99 4.28 2.92 65.67 3 0 33.39-999 ?-999 ?-999 ? C4 PEG A 2 mVAL~A 104 4.08 2.09 68.97 4.47 1.28 68.53 4.13 3.30 71.14 3.40 4.12 71.71 3.55 2.10 70.36 3.90 0.76 71.10 3 0 36.04-999 ?-999 ?-999 ? C4 PEG A 2 mASP.A 105 5.46 3.38 71.15 5.90 2.60 70.69 5.95 5.83 71.02 5.23 6.71 71.53 6.22 4.49 71.74 7.74 4.20 71.68 2 0 36.19-999 ?-999 ?-999 ? C4 PEG A 2