HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-MAY-03 1PF5 COMPND HYPOTHETICAL PROTEIN YJGH; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YJGH; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) STAR; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,L.XU,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET HG A 132 1 SITE 1 AC1 3 CYS A 69 ASP A 73 ARG A 127 mVAL.A 2 -7.41 -28.67 101.55 -6.70 -28.40 102.20 -9.34 -27.86 100.22 -10.05 -27.85 99.19 -8.47 -29.07 100.57 -9.37 -30.19 101.15 3 0 20.18-999 ?-999 ?-999 ? HG HG A 132 mGLU.A 3 -9.29 -26.84 101.08 -8.67 -27.00 101.85 -9.17 -24.37 101.15 -9.45 -23.28 100.62 -10.06 -25.60 100.90 -11.26 -25.60 101.88 2 0 16.49-999 ?-999 ?-999 ? HG HG A 132 mARG.A 4 -8.10 -24.55 101.93 -8.01 -25.49 102.27 -6.54 -22.80 101.05 -5.41 -23.13 100.64 -7.16 -23.48 102.28 -6.06 -24.03 103.19 2 0 16.63-999 ?-999 ?-999 ? HG HG A 132 mTHR^A 5 -7.27 -21.84 100.47 -8.15 -21.68 100.90 -6.43 -19.66 99.65 -7.27 -18.89 100.11 -6.79 -21.10 99.30 -7.85 -21.11 98.14 2 0 14.57-999 ?-999 ?-999 ? HG HG A 132 mALA^A 6 -5.17 -19.31 99.43 -4.61 -20.04 99.04 -5.03 -16.94 98.67 -5.13 -17.26 97.48 -4.66 -17.97 99.73 -3.14 -18.01 99.89 2 0 14.53-999 ?-999 ?-999 ? HG HG A 132 mVAL^A 7 -5.23 -15.71 99.11 -5.11 -15.60 100.10 -4.58 -13.48 98.42 -4.24 -13.13 99.55 -5.58 -14.62 98.22 -7.02 -14.12 98.53 3 0 12.26-999 ?-999 ?-999 ? HG HG A 132 mPHE.A 8 -4.10 -12.90 97.33 -4.45 -13.27 96.47 -3.50 -10.62 96.57 -4.07 -10.77 95.49 -3.13 -11.81 97.42 -1.75 -12.30 97.00 3 0 14.22-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 9 -3.18 -9.40 97.04 -2.73 -9.39 97.92 -2.72 -8.30 94.95 -1.62 -8.86 94.92 -3.51 -8.20 96.25 -3.00 -7.06 97.14 3 0 14.21-999 ?-999 ?-999 ? HG HG A 132 mALA.A 10 -3.28 -7.76 93.87 -4.18 -7.35 94.02 -1.33 -6.94 92.68 -1.26 -5.98 93.44 -2.60 -7.79 92.59 -3.51 -7.26 91.49 2 0 15.92-999 ?-999 ?-999 ? HG HG A 132 mGLY.A 11 -0.33 -7.31 91.89 -0.49 -8.11 91.32 1.90 -7.15 92.89 1.80 -8.31 93.28 0.91 -6.56 91.91-999.99-999.99-999.99 1 0 19.65-999 ?-999 ?-999 ? HG HG A 132 mARG.A 12 2.88 -6.34 93.28 2.85 -5.42 92.91 3.86 -6.11 95.54 4.01 -4.89 95.63 3.89 -6.82 94.20 5.27 -6.69 93.56 2 0 21.93-999 ?-999 ?-999 ? HG HG A 132 mHIS.A 13 3.66 -6.90 96.58 3.53 -7.86 96.34 4.34 -7.50 98.77 3.81 -8.60 99.00 3.62 -6.43 97.96 2.17 -6.25 98.42 3 0 21.49-999 ?-999 ?-999 ? HG HG A 132 mSER.A 14 5.55 -7.19 99.20 5.87 -6.27 98.97 6.49 -7.85 101.41 7.39 -7.12 101.83 6.33 -8.15 99.94 7.70 -8.34 99.29 2 0 23.98-999 ?-999 ?-999 ? HG HG A 132 mLEU.A 15 5.58 -8.43 102.17 4.91 -8.95 101.63 4.94 -9.72 103.86 5.24 -10.38 104.85 5.52 -8.35 103.61 4.52 -7.29 104.08 3 0 23.81-999 ?-999 ?-999 ? HG HG A 132 mTYR.A 16 4.11 -10.14 102.90 3.98 -9.48 102.16 4.52 -12.48 102.64 4.49 -13.57 103.18 3.47 -11.44 102.94 2.34 -11.52 101.90 3 0 21.48-999 ?-999 ?-999 ? HG HG A 132 mALA.A 17 5.45 -12.12 101.76 5.35 -11.20 101.39 7.56 -13.00 102.52 8.03 -14.04 102.98 6.53 -13.02 101.40 7.16 -12.57 100.10 2 0 24.24-999 ?-999 ?-999 ? HG HG A 132 mGLU.A 18 7.89 -11.80 102.96 7.40 -11.05 102.51 8.50 -12.21 105.36 9.35 -12.80 106.03 8.87 -11.58 104.01 9.10 -10.08 104.18 2 0 26.99-999 ?-999 ?-999 ? HG HG A 132 mHIS.A 19 7.23 -12.09 105.75 6.65 -11.61 105.10 6.07 -13.98 106.84 5.68 -14.64 107.81 6.78 -12.64 107.03 5.84 -11.64 107.71 3 0 25.94-999 ?-999 ?-999 ? HG HG A 132 mARG.A 20 5.90 -14.37 105.59 6.24 -13.72 104.92 3.87 -15.86 105.81 3.68 -16.65 106.74 5.26 -15.64 105.23 6.18 -16.80 105.60 2 0 24.27-999 ?-999 ?-999 ? HG HG A 132 mTYR.A 21 2.89 -15.14 105.25 3.22 -14.52 104.54 0.67 -14.76 104.46 1.13 -13.93 103.67 1.49 -15.26 105.63 1.18 -14.46 106.90 3 0 20.88-999 ?-999 ?-999 ? HG HG A 132 mSER.A 22 -0.55 -15.26 104.32 -0.81 -15.92 105.02 -2.20 -13.59 103.56 -2.55 -13.35 104.72 -1.41 -14.85 103.23 -2.38 -15.98 102.87 2 0 17.29-999 ?-999 ?-999 ? HG HG A 132 mALA.A 23 -2.49 -12.80 102.53 -2.13 -13.13 101.65 -4.69 -11.87 103.11 -5.29 -11.12 103.88 -3.25 -11.56 102.68 -3.25 -10.77 101.36 2 0 14.99-999 ?-999 ?-999 ? HG HG A 132 mALA^A 24 -5.24 -12.98 102.62 -4.64 -13.50 102.01 -6.73 -14.87 102.68 -5.93 -15.45 101.94 -6.59 -13.39 102.95 -7.60 -12.62 102.11 2 0 12.22-999 ?-999 ?-999 ? HG HG A 132 mILE^A 25 -7.75 -15.49 103.27 -8.30 -14.90 103.86 -9.46 -17.05 102.70 -10.33 -16.60 103.44 -8.01 -16.91 103.06 -7.74 -17.75 104.33 3 0 12.24-999 ?-999 ?-999 ? HG HG A 132 mARG^A 26 -9.72 -17.66 101.56 -8.91 -17.94 101.04 -11.44 -19.32 101.53 -10.74 -20.27 101.18 -11.08 -17.90 101.11 -11.18 -17.74 99.58 2 0 9.83-999 ?-999 ?-999 ? HG HG A 132 mSER^A 27 -12.50 -19.46 102.31 -12.97 -18.61 102.54 -14.41 -20.91 102.68 -15.16 -20.40 103.52 -12.91 -20.77 102.77 -12.46 -20.99 104.21 2 0 11.77-999 ?-999 ?-999 ? HG HG A 132 mGLY.A 28 -14.86 -21.62 101.65 -14.16 -22.00 101.05 -16.87 -20.47 101.06 -16.45 -19.88 100.07 -16.28 -21.80 101.47-999.99-999.99-999.99 1 0 11.36-999 ?-999 ?-999 ? HG HG A 132 mASP.A 29 -17.83 -20.00 101.84 -18.04 -20.57 102.63 -17.99 -17.57 102.39 -18.66 -16.54 102.52 -18.51 -18.74 101.56 -20.02 -18.91 101.80 2 0 8.62-999 ?-999 ?-999 ? HG HG A 132 mLEU^A 30 -16.79 -17.73 102.94 -16.34 -18.60 102.75 -14.77 -16.34 103.38 -14.00 -17.22 103.00 -16.21 -16.67 103.76 -16.25 -17.06 105.24 3 0 8.35-999 ?-999 ?-999 ? HG HG A 132 mLEU^A 31 -14.44 -15.07 103.50 -15.18 -14.47 103.80 -12.55 -13.99 104.50 -13.12 -13.01 105.00 -13.10 -14.60 103.21 -13.12 -13.52 102.13 3 0 7.84-999 ?-999 ?-999 ? HG HG A 132 mPHE^A 32 -11.48 -14.57 105.04 -11.15 -15.38 104.56 -9.62 -13.28 105.85 -8.63 -13.88 105.43 -10.87 -14.03 106.26 -10.51 -15.14 107.24 3 0 11.20-999 ?-999 ?-999 ? HG HG A 132 mVAL^A 33 -9.67 -11.96 105.98 -10.53 -11.62 106.36 -7.61 -10.78 106.75 -8.05 -10.52 107.87 -8.56 -11.09 105.60 -9.10 -9.75 105.05 3 0 11.90-999 ?-999 ?-999 ? HG HG A 132 mSER^A 34 -6.31 -10.82 106.48 -6.09 -11.08 105.54 -5.51 -9.02 107.80 -6.06 -8.28 106.98 -5.32 -10.50 107.49 -3.89 -10.71 106.96 2 0 15.60-999 ?-999 ?-999 ? HG HG A 132 mGLY^A 35 -5.09 -8.58 108.97 -4.70 -9.27 109.59 -4.50 -6.40 108.21 -3.39 -6.77 107.82 -5.24 -7.18 109.28-999.99-999.99-999.99 1 0 17.31-999 ?-999 ?-999 ? HG HG A 132 mGLN^A 36 -5.11 -5.33 107.72 -6.02 -5.16 108.11 -3.95 -3.22 107.36 -4.56 -2.67 108.28 -4.50 -4.50 106.71 -5.52 -4.15 105.62 2 0 17.12-999 ?-999 ?-999 ? HG HG A 132 mVAL.A 37 -2.80 -2.77 106.87 -2.43 -3.32 106.12 -1.74 -0.68 106.21 -1.64 -1.14 105.07 -2.15 -1.57 107.37 -0.88 -1.92 108.19 3 0 20.48-999 ?-999 ?-999 ? HG HG A 132 mGLY.A 38 -1.51 0.60 106.50 -1.63 0.84 107.46 0.37 1.40 105.18 1.16 2.26 105.57 -1.11 1.53 105.46-999.99-999.99-999.99 1 0 22.07-999 ?-999 ?-999 ? HG HG A 132 mSER.A 39 0.74 0.32 104.49 -0.01 -0.28 104.22 2.44 0.28 102.68 1.60 0.02 101.82 2.13 0.07 104.16 2.49 -1.37 104.52 2 0 23.43-999 ?-999 ?-999 ? HG HG A 132 mARG.A 40 3.66 0.75 102.41 4.21 0.95 103.22 4.54 -0.39 100.50 4.45 -1.40 101.20 4.13 0.97 101.04 5.35 1.88 101.03 2 0 24.91-999 ?-999 ?-999 ? HG HG A 132 mGLU.A 41 5.01 -0.42 99.26 5.05 0.48 98.82 6.57 -2.36 99.35 6.70 -3.58 99.29 5.42 -1.66 98.61 5.83 -1.36 97.17 2 0 24.69-999 ?-999 ?-999 ? HG HG A 132 mASP.A 42 7.40 -1.58 100.04 7.17 -0.61 100.02 8.21 -2.62 102.19 9.05 -3.22 102.87 8.55 -2.13 100.78 9.66 -1.08 100.85 2 0 27.60-999 ?-999 ?-999 ? HG HG A 132 mGLY.A 43 6.98 -2.36 102.63 6.40 -1.85 101.99 6.61 -1.75 105.03 6.25 -2.02 106.18 6.55 -2.80 103.95-999.99-999.99-999.99 1 0 26.11-999 ?-999 ?-999 ? HG HG A 132 mTHR.A 44 7.05 -0.54 104.68 7.30 -0.46 103.71 5.86 1.36 105.69 5.15 1.48 104.69 7.14 0.54 105.65 8.33 1.49 105.35 2 0 28.32-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 45 5.56 1.95 106.85 6.21 1.79 107.59 4.38 4.15 106.35 5.43 4.77 106.22 4.35 2.75 106.97 4.13 2.80 108.49 3 0 27.44-999 ?-999 ?-999 ? HG HG A 132 mGLU.A 46 3.20 4.62 105.96 2.44 3.98 106.08 3.15 6.82 106.64 2.37 6.67 107.58 3.05 5.95 105.40 1.65 6.08 104.79 2 0 27.75-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 47 4.13 7.74 106.68 4.69 7.74 105.85 3.18 9.43 108.34 2.93 9.42 109.54 4.38 8.65 107.80 5.45 9.59 107.25 3 0 31.14-999 ?-999 ?-999 ? HG HG A 132 mASP~A 48 2.45 10.10 107.45 2.77 10.03 106.50 0.18 9.94 108.31 -0.15 9.00 107.59 1.29 10.88 107.87 0.78 11.76 106.74 2 0 30.66-999 ?-999 ?-999 ? HG HG A 132 mPHE~A 49 -0.41 10.20 109.48 -0.09 11.02 109.96 -2.64 9.13 109.03 -2.88 8.02 108.56 -1.45 9.31 109.96 -1.96 9.71 111.34 3 0 28.74-999 ?-999 ?-999 ? HG HG A 132 mGLN~A 50 -3.39 10.20 108.77 -3.09 11.05 109.20 -4.23 9.42 106.57 -5.06 8.73 105.99 -4.56 10.08 107.90 -5.22 11.43 107.65 2 0 26.87-999 ?-999 ?-999 ? HG HG A 132 mGLN~A 51 -3.01 9.64 106.08 -2.43 10.24 106.64 -2.38 7.54 105.03 -2.68 6.74 104.14 -2.58 9.03 104.83 -1.28 9.66 104.34 2 0 26.06-999 ?-999 ?-999 ? HG HG A 132 mGLN~A 52 -1.86 7.16 106.19 -1.65 7.90 106.83 -2.99 5.03 106.54 -3.12 3.91 106.03 -1.64 5.75 106.49 -0.91 5.57 107.83 2 0 24.75-999 ?-999 ?-999 ? HG HG A 132 mVAL~A 53 -3.98 5.66 107.16 -3.74 6.56 107.53 -5.92 4.89 105.88 -6.54 3.85 105.60 -5.31 5.08 107.27 -6.26 5.97 108.13 3 0 22.43-999 ?-999 ?-999 ? HG HG A 132 mARG~A 54 -5.74 5.88 105.02 -5.21 6.65 105.38 -5.58 4.72 102.87 -6.24 3.96 102.16 -6.26 5.83 103.65 -6.06 7.19 102.96 2 0 21.20-999 ?-999 ?-999 ? HG HG A 132 mLEU~A 55 -4.26 4.62 103.01 -3.86 5.30 103.62 -3.91 2.20 102.82 -3.98 1.25 102.04 -3.50 3.59 102.32 -2.00 3.81 102.54 3 0 20.79-999 ?-999 ?-999 ? HG HG A 132 mALA~A 56 -4.19 2.09 104.12 -4.07 2.95 104.63 -5.90 0.37 104.06 -6.06 -0.81 103.71 -4.62 0.83 104.74 -4.86 1.02 106.24 2 0 18.91-999 ?-999 ?-999 ? HG HG A 132 mPHE~A 57 -6.82 1.31 103.86 -6.57 2.21 104.20 -7.87 0.68 101.74 -8.58 -0.15 101.19 -8.09 1.03 103.20 -9.04 2.21 103.32 3 0 16.32-999 ?-999 ?-999 ? HG HG A 132 mASP~A 58 -6.87 1.32 101.12 -6.38 2.00 101.67 -6.01 -0.41 99.67 -6.41 -1.20 98.80 -6.56 1.01 99.73 -5.55 2.00 99.15 2 0 16.41-999 ?-999 ?-999 ? HG HG A 132 mASN~A 59 -5.10 -0.75 100.58 -4.85 -0.03 101.22 -5.66 -3.11 100.85 -5.68 -4.20 100.27 -4.55 -2.10 100.59 -3.45 -2.22 101.64 2 0 15.97-999 ?-999 ?-999 ? HG HG A 132 mLEU~A 60 -6.60 -2.76 101.73 -6.47 -1.86 102.14 -8.54 -3.91 100.79 -8.83 -5.06 100.45 -7.71 -3.65 102.04 -8.62 -3.03 103.11 3 0 13.02-999 ?-999 ?-999 ? HG HG A 132 mHIS~A 61 -8.91 -2.83 100.10 -8.59 -1.96 100.48 -9.02 -3.81 97.85 -9.65 -4.64 97.21 -9.71 -2.93 98.88 -9.99 -1.55 98.29 3 0 11.31-999 ?-999 ?-999 ? HG HG A 132 mALA~A 62 -7.71 -3.62 97.70 -7.31 -2.91 98.29 -6.96 -5.89 97.08 -7.04 -6.74 96.19 -6.94 -4.40 96.74 -5.51 -3.90 96.69 2 0 12.44-999 ?-999 ?-999 ? HG HG A 132 mTHR~A 63 -6.89 -6.21 98.37 -6.83 -5.43 99.00 -8.30 -8.18 98.53 -8.43 -9.30 98.03 -6.91 -7.60 98.80 -6.55 -7.72 100.29 2 0 11.09-999 ?-999 ?-999 ? HG HG A 132 mLEU~A 64 -9.33 -7.41 98.86 -9.08 -6.53 99.27 -10.92 -8.09 97.12 -11.47 -9.12 96.73 -10.71 -7.84 98.62 -11.70 -6.77 99.11 3 0 7.50-999 ?-999 ?-999 ? HG HG A 132 mALA~A 65 -10.48 -7.16 96.29 -10.05 -6.37 96.74 -10.04 -8.62 94.35 -10.65 -9.28 93.50 -10.60 -7.28 94.84 -9.88 -6.13 94.16 2 0 8.24-999 ?-999 ?-999 ? HG HG A 132 mALA~A 66 -8.89 -9.01 94.88 -8.52 -8.39 95.56 -9.15 -11.49 94.66 -8.92 -12.53 94.05 -8.25 -10.27 94.49 -6.97 -10.45 95.26 2 0 9.63-999 ?-999 ?-999 ? HG HG A 132 mALA.A 67 -10.18 -11.37 95.50 -10.25 -10.48 95.95 -12.46 -12.17 95.04 -13.41 -12.97 95.11 -11.12 -12.47 95.72 -11.33 -12.69 97.22 2 0 6.60-999 ?-999 ?-999 ? HG HG A 132 mGLY.A 68 -12.54 -11.02 94.39 -11.71 -10.46 94.40 -14.69 -9.89 94.66 -15.86 -9.71 94.35 -13.76 -10.62 93.71-999.99-999.99-999.99 1 0 5.29-999 ?-999 ?-999 ? HG HG A 132 mCYH.A 69 -14.15 -9.46 95.80 -13.18 -9.66 95.90 -14.75 -7.27 96.78 -13.82 -6.76 96.14 -14.95 -8.77 96.81 -14.60 -9.26 98.22 2 0 -3.48-999 ?-999 ?-999 ? HG HG A 132s mTHR~A 70 -15.62 -6.57 97.50 -16.32 -7.13 97.95 -15.93 -4.81 99.07 -16.23 -5.72 99.83 -15.56 -5.11 97.62 -16.57 -4.41 96.67 2 0 6.33-999 ?-999 ?-999 ? HG HG A 132 mPHE~A 71 -15.91 -3.54 99.45 -15.64 -2.89 98.74 -17.70 -3.55 101.18 -18.03 -3.73 102.35 -16.27 -3.16 100.82 -16.11 -1.65 101.04 3 0 8.73-999 ?-999 ?-999 ? HG HG A 132 mASP~A 72 -18.56 -3.69 100.17 -18.17 -3.54 99.26 -20.14 -5.45 100.91 -21.20 -5.79 101.44 -19.96 -4.03 100.41 -20.78 -3.84 99.14 2 0 8.13-999 ?-999 ?-999 ? HG HG A 132 mASP.A 73 -19.11 -6.27 100.73 -18.32 -5.85 100.30 -18.62 -7.89 102.56 -18.64 -9.01 103.07 -19.17 -7.66 101.16 -18.43 -8.52 100.16 2 0 -5.36-999 ?-999 ?-999 ? HG HG A 132s mILE^A 74 -18.13 -6.83 103.19 -18.17 -5.98 102.66 -18.72 -7.21 105.53 -19.70 -6.46 105.58 -17.59 -6.93 104.53 -16.84 -5.63 104.92 3 0 8.17-999 ?-999 ?-999 ? HG HG A 132 mILE^A 75 -18.59 -8.27 106.31 -17.75 -8.81 106.17 -19.18 -8.44 108.72 -20.00 -8.50 109.64 -19.62 -8.60 107.28 -20.17 -10.01 107.06 3 0 10.31-999 ?-999 ?-999 ? HG HG A 132 mASP^A 76 -17.89 -8.22 108.93 -17.32 -8.22 108.10 -16.10 -7.15 110.22 -15.21 -7.39 109.39 -17.36 -8.00 110.27 -17.09 -9.32 110.98 2 0 13.10-999 ?-999 ?-999 ? HG HG A 132 mVAL^A 77 -16.01 -6.17 111.11 -16.80 -6.12 111.73 -14.29 -5.08 112.56 -15.02 -4.83 113.52 -14.87 -5.27 111.16 -15.27 -3.87 110.66 3 0 15.03-999 ?-999 ?-999 ? HG HG A 132 mTHR^A 78 -12.97 -5.21 112.67 -12.51 -5.46 111.82 -11.09 -4.12 113.63 -10.32 -4.42 112.72 -12.29 -5.00 113.94 -11.75 -6.32 114.55 2 0 18.22-999 ?-999 ?-999 ? HG HG A 132 mSER^A 79 -10.94 -3.02 114.36 -11.64 -2.87 115.05 -8.99 -1.96 115.41 -9.52 -1.96 116.53 -9.81 -2.13 114.14 -10.29 -0.76 113.64 2 0 20.33-999 ?-999 ?-999 ? HG HG A 132 mPHE^A 80 -7.68 -1.83 115.23 -7.40 -1.86 114.27 -6.06 -0.32 116.21 -5.75 0.14 115.11 -6.74 -1.67 116.34 -5.71 -2.80 116.29 3 0 23.56-999 ?-999 ?-999 ? HG HG A 132 mHIS^A 81 -5.81 0.31 117.35 -6.06 -0.19 118.18 -4.15 1.78 118.42 -4.32 1.36 119.56 -5.23 1.64 117.36 -6.35 2.64 117.61 3 0 26.52-999 ?-999 ?-999 ? HG HG A 132 mTHR.A 82 -3.03 2.39 118.03 -3.04 2.70 117.08 -2.11 3.79 119.86 -1.48 3.89 120.90 -1.91 2.59 118.93 -0.63 2.80 118.14 2 0 29.74-999 ?-999 ?-999 ? HG HG A 132 mASP~A 83 -3.00 4.69 119.47 -3.44 4.49 118.59 -4.64 6.40 119.81 -4.75 7.53 119.32 -3.30 5.86 120.28 -2.20 6.92 120.11 2 0 31.68-999 ?-999 ?-999 ? HG HG A 132 mPRO~A 84 -5.70 5.59 119.97 -5.45 4.72 120.40 -7.57 7.29 119.97 -8.34 7.89 119.24 -7.07 5.91 119.58 -7.88 4.78 120.21 3 0 29.70-999 ?-999 ?-999 ? HG HG A 132 mGLU~A 85 -7.14 7.78 121.12 -6.50 7.19 121.62 -7.28 10.22 120.61 -8.16 11.03 120.31 -7.57 9.10 121.59 -6.92 9.42 122.94 2 0 32.92-999 ?-999 ?-999 ? HG HG A 132 mASN~A 86 -6.05 10.27 120.13 -5.45 9.54 120.44 -5.76 10.89 117.75 -5.26 11.58 116.86 -5.64 11.31 119.20 -4.19 11.72 119.49 2 0 33.33-999 ?-999 ?-999 ? HG HG A 132 mGLN~A 87 -6.42 9.77 117.50 -6.81 9.31 118.29 -7.97 9.14 115.62 -8.17 9.01 114.41 -6.55 9.31 116.13 -5.79 7.99 115.96 2 0 29.68-999 ?-999 ?-999 ? HG HG A 132 mPHE~A 88 -8.96 9.16 116.51 -8.70 9.35 117.45 -10.93 9.93 115.08 -11.67 9.54 114.18 -10.33 8.92 116.05 -11.28 8.64 117.25 3 0 28.20-999 ?-999 ?-999 ? HG HG A 132 mGLU~A 89 -10.61 11.21 115.22 -9.98 11.42 115.97 -10.66 11.93 112.91 -11.42 11.99 111.94 -11.16 12.21 114.32 -10.78 13.63 114.75 2 0 29.43-999 ?-999 ?-999 ? HG HG A 132 mASP~A 90 -9.38 11.60 112.79 -8.87 11.58 113.66 -9.39 10.03 110.92 -9.69 9.96 109.73 -8.78 11.30 111.50 -7.27 11.10 111.62 2 0 27.80-999 ?-999 ?-999 ? HG HG A 132 mILE~A 91 -9.56 9.03 111.77 -9.28 9.22 112.71 -11.56 7.89 110.85 -11.92 7.33 109.81 -10.12 7.76 111.34 -10.06 6.72 112.47 3 0 24.51-999 ?-999 ?-999 ? HG HG A 132 mMET~A 92 -12.37 8.65 111.58 -11.96 9.05 112.39 -13.86 9.60 109.86 -14.71 9.29 109.03 -13.76 8.85 111.18 -14.52 9.59 112.26 2 0 24.49-999 ?-999 ?-999 ? HG HG A 132 mTHR~A 93 -13.00 10.59 109.66 -12.37 10.76 110.42 -12.90 10.34 107.25 -13.68 10.40 106.29 -13.00 11.34 108.41 -11.79 12.29 108.34 2 0 25.37-999 ?-999 ?-999 ? HG HG A 132 mVAL~A 94 -11.95 9.42 107.36 -11.42 9.48 108.20 -12.85 7.37 106.27 -13.28 6.96 105.19 -11.73 8.42 106.33 -10.36 7.71 106.54 3 0 22.19-999 ?-999 ?-999 ? HG HG A 132 mLYS~A 95 -13.32 6.93 107.43 -12.90 7.33 108.24 -15.69 6.46 106.86 -16.37 5.73 106.14 -14.39 5.93 107.47 -14.65 5.47 108.90 2 0 19.99-999 ?-999 ?-999 ? HG HG A 132 mASN~A 96 -16.02 7.72 107.14 -15.36 8.20 107.72 -17.19 8.64 105.16 -18.19 8.97 104.54 -17.25 8.32 106.64 -17.59 9.59 107.41 2 0 21.51-999 ?-999 ?-999 ? HG HG A 132 mGLU~A 97 -16.00 8.54 104.61 -15.27 8.26 105.24 -15.99 7.50 102.46 -16.56 7.47 101.37 -15.78 8.82 103.21 -14.35 9.33 103.05 2 0 20.84-999 ?-999 ?-999 ? HG HG A 132 mILE~A 98 -15.54 6.41 103.08 -15.13 6.60 103.97 -17.00 4.41 102.77 -17.58 3.79 101.88 -15.65 5.06 102.51 -14.53 4.16 103.06 3 0 17.07-999 ?-999 ?-999 ? HG HG A 132 mPHE~A 99 -17.48 4.53 104.00 -16.88 5.02 104.63 -19.68 5.19 104.52 -19.96 5.67 105.63 -18.78 3.98 104.38 -18.66 3.23 105.69 3 0 16.70-999 ?-999 ?-999 ? HG HG A 132 mSER.A 100 -20.12 5.68 103.37 -19.82 5.15 102.57 -22.43 6.69 103.60 -23.04 7.59 104.18 -20.95 6.86 103.26 -20.80 7.44 101.86 2 0 19.27-999 ?-999 ?-999 ? HG HG A 132 mALA.A 101 -23.00 5.54 103.24 -22.39 4.88 102.79 -24.72 3.93 104.08 -24.01 2.95 103.81 -24.41 5.30 103.51 -25.21 5.53 102.24 2 0 18.90-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 102 -25.79 3.83 104.88 -26.28 4.70 105.02 -26.69 1.58 104.43 -27.00 1.97 103.30 -26.21 2.57 105.49 -27.32 3.00 106.44 3 0 18.19-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 103 -26.74 0.28 104.76 -27.06 -0.29 104.00 -24.87 -0.18 106.35 -24.03 -0.61 105.54 -26.37 -0.30 106.06 -26.83 -1.75 105.93 3 0 16.51-999 ?-999 ?-999 ? HG HG A 132 mTYR.A 104 -24.51 0.40 107.49 -25.27 0.72 108.06 -22.57 -0.80 108.32 -23.33 -1.67 108.75 -23.11 0.54 107.83 -22.93 1.59 108.91 3 0 16.61-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 105 -21.25 -0.99 108.26 -20.69 -0.25 107.89 -20.80 -2.27 110.28 -21.01 -1.21 110.87 -20.75 -2.28 108.75 -19.32 -2.31 108.22 3 0 14.70-999 ?-999 ?-999 ? HG HG A 132 mASN.A 106 -20.66 -3.43 110.91 -20.58 -4.24 110.33 -19.23 -2.93 112.68 -18.51 -2.53 111.77 -20.64 -3.45 112.37 -20.83 -4.87 112.93 2 0 17.03-999 ?-999 ?-999 ? HG HG A 132 mTRP.A 107 -18.82 -2.94 113.94 -19.47 -3.28 114.62 -17.05 -2.65 115.67 -17.83 -2.48 116.60 -17.49 -2.44 114.23 -17.40 -0.96 113.87 3 0 18.82-999 ?-999 ?-999 ? HG HG A 132 mTHR^A 108 -15.78 -3.01 115.82 -15.28 -3.15 114.96 -13.81 -2.50 117.03 -12.94 -2.93 116.27 -15.17 -3.19 117.13 -14.99 -4.68 117.49 2 0 21.24-999 ?-999 ?-999 ? HG HG A 132 mALA^A 109 -13.64 -1.41 117.78 -14.44 -1.17 118.33 -11.74 -0.82 119.14 -12.36 -0.60 120.17 -12.40 -0.65 117.79 -12.69 0.82 117.52 2 0 23.33-999 ?-999 ?-999 ? HG HG A 132 mVAL^A 110 -10.47 -1.19 119.12 -10.07 -1.29 118.21 -8.36 -0.79 120.39 -7.68 -0.70 119.36 -9.74 -1.44 120.36 -9.57 -2.96 120.56 3 0 25.93-999 ?-999 ?-999 ? HG HG A 132 mGLY^A 111 -7.95 -0.36 121.57 -8.59 -0.49 122.32 -5.58 -0.78 122.04 -5.69 -1.53 123.02 -6.64 0.26 121.73-999.99-999.99-999.99 1 0 28.80-999 ?-999 ?-999 ? HG HG A 132 mVAL.A 112 -4.55 -0.85 121.20 -4.58 -0.20 120.44 -2.16 -1.11 121.65 -2.04 0.10 121.46 -3.48 -1.81 121.40 -3.35 -2.75 120.21 3 0 29.12-999 ?-999 ?-999 ? HG HG A 132 mTHR.A 113 -1.16 -1.88 122.06 -1.38 -2.85 122.13 1.17 -1.41 121.24 2.20 -0.74 121.29 0.16 -1.33 122.37 0.77 -2.05 123.59 2 0 31.91-999 ?-999 ?-999 ? HG HG A 132 mTRP.A 114 0.89 -2.22 120.23 0.00 -2.67 120.28 1.16 -2.96 117.88 0.21 -3.73 117.96 1.84 -2.41 119.15 2.91 -3.39 119.65 3 0 30.17-999 ?-999 ?-999 ? HG HG A 132 mLEU.A 115 1.64 -2.52 116.72 2.39 -1.86 116.81 2.26 -3.00 114.42 2.13 -2.52 113.29 1.11 -2.97 115.44 -0.02 -2.06 114.95 3 0 26.97-999 ?-999 ?-999 ? HG HG A 132 mALA.A 116 3.38 -3.56 114.86 3.33 -3.87 115.81 5.04 -2.44 113.34 5.50 -2.48 112.20 4.58 -3.71 114.03 4.34 -4.79 113.00 2 0 28.41-999 ?-999 ?-999 ? HG HG A 132 mGLY.A 117 4.94 -1.31 114.03 4.55 -1.40 114.95 4.24 0.80 112.91 4.41 2.00 112.68 5.37 -0.06 113.45-999.99-999.99-999.99 1 0 29.86-999 ?-999 ?-999 ? HG HG A 132 mPHE.A 118 3.07 0.20 112.72 3.05 -0.78 112.94 1.08 1.50 113.35 1.25 1.12 114.50 1.92 0.94 112.21 1.09 0.05 111.29 3 0 27.07-999 ?-999 ?-999 ? HG HG A 132 mASP.A 119 0.18 2.41 113.01 0.14 2.64 112.04 -2.15 2.72 113.85 -2.99 3.18 114.63 -0.67 3.02 114.03 -0.46 4.53 114.04 2 0 27.40-999 ?-999 ?-999 ? HG HG A 132 mPHE^A 120 -2.46 1.95 112.81 -1.68 1.65 112.27 -3.83 0.28 111.78 -2.96 0.03 110.94 -3.83 1.60 112.52 -4.48 2.71 111.69 3 0 23.86-999 ?-999 ?-999 ? HG HG A 132 mGLU^A 121 -4.80 -0.57 112.10 -5.42 -0.24 112.81 -6.40 -2.23 111.44 -7.12 -1.95 112.40 -4.93 -1.86 111.45 -4.13 -2.93 112.20 2 0 20.82-999 ?-999 ?-999 ? HG HG A 132 mILE^A 122 -6.83 -2.86 110.36 -6.13 -3.03 109.66 -8.34 -4.72 109.76 -7.90 -5.09 108.67 -8.22 -3.26 110.21 -8.98 -2.29 109.24 3 0 17.49-999 ?-999 ?-999 ? HG HG A 132 mLYS^A 123 -8.92 -5.53 110.64 -9.20 -5.08 111.49 -10.58 -7.10 109.94 -11.51 -6.66 110.62 -9.14 -6.95 110.39 -8.89 -7.76 111.67 2 0 15.80-999 ?-999 ?-999 ? HG HG A 132 mVAL^A 124 -10.77 -7.74 108.79 -9.93 -8.11 108.39 -12.49 -9.29 107.76 -11.63 -10.13 107.46 -12.09 -7.88 108.20 -12.16 -6.90 106.99 3 0 12.31-999 ?-999 ?-999 ? HG HG A 132 mILE^A 125 -13.79 -9.56 107.75 -14.36 -8.82 108.10 -15.36 -10.48 106.22 -16.22 -9.63 106.48 -14.31 -10.84 107.27 -14.99 -11.68 108.36 3 0 10.17-999 ?-999 ?-999 ? HG HG A 132 mALA^A 126 -15.29 -11.11 105.06 -14.55 -11.77 104.98 -16.92 -12.10 103.51 -16.34 -13.19 103.58 -16.25 -10.83 103.99 -15.54 -10.14 102.83 2 0 6.53-999 ?-999 ?-999 ? HG HG A 132 mARG^A 127 -18.15 -11.98 103.01 -18.51 -11.05 103.02 -18.64 -13.35 101.05 -18.73 -12.42 100.27 -18.89 -13.14 102.52 -20.40 -12.99 102.76 2 0 -5.55-999 ?-999 ?-999 ? HG HG A 132s mILE.A 128 -18.30 -14.57 100.68 -18.25 -15.23 101.43 -18.99 -16.01 98.89 -18.70 -17.19 99.09 -18.03 -14.92 99.30 -16.62 -15.46 99.12 3 0 4.18-999 ?-999 ?-999 ? HG HG A 132 mPRO.A 129 -20.15 -15.65 98.32 -20.29 -14.66 98.21 -20.47 -17.72 96.98 -19.80 -17.37 96.01 -21.12 -16.67 97.89 -22.18 -15.85 97.17 3 0 6.67-999 ?-999 ?-999 ? HG HG A 132 mGLU.A 130 -20.67 -18.99 97.32 -21.21 -19.12 98.15 -21.17 -20.53 95.49 -22.08 -21.31 95.78 -20.12 -20.10 96.52 -19.75 -21.29 97.43 2 0 9.40-999 ?-999 ?-999 ? HG HG A 132 mGLN.A 131 -21.03 -20.00 94.27 -20.24 -19.39 94.19 -21.24 -20.92 91.98 -21.11 -20.26 90.92 -21.95 -20.26 93.17 -22.61 -18.95 92.73 2 0 11.09-999 ?-999 ?-999 ? HG HG A 132