HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUN-08 3DM8 COMPND UNCHARACTERIZED PROTEIN RPA4348; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; SOURCE 3 ORGANISM_TAXID: 1076; SOURCE 4 GENE: RPA4348; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RP; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P15TV LIC AUTHOR M.CYMBOROWSKI,M.CHRUSZCZ,T.SKARINA,O.KAGAN,A.SAVCHENKO,A.M.EDWARDS, AUTHOR 2 A.JOACHIMIAK,W.MINOR,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET CE9 A 144 12 SITE 1 AC1 2 ASP A 34 GLN A 51 mMET.A 1 -23.30 30.64 41.91 -24.21 31.01 42.07 -21.15 30.01 42.97 -20.91 31.03 43.62 -21.93 30.07 41.67 -21.18 30.90 40.64 2 0 28.25-999 ?-999 ?-999 ? C36 CE9 A 144 mTHR.A 2 -20.71 28.81 43.30 -20.73 28.13 42.57 -18.79 28.02 44.82 -18.40 27.82 45.97 -20.23 28.54 44.65 -21.21 27.61 45.38 2 0 29.57-999 ?-999 ?-999 ? C36 CE9 A 144 mGLU.A 3 -18.02 27.81 43.73 -18.51 27.81 42.87 -15.70 28.61 43.14 -15.55 28.59 41.92 -16.54 27.59 43.88 -15.99 26.21 43.48 2 0 27.60-999 ?-999 ?-999 ? C36 CE9 A 144 mHIS~A 4 -15.08 29.46 43.94 -15.16 29.24 44.91 -13.23 30.18 42.49 -12.52 29.23 42.75 -14.37 30.61 43.42 -13.87 31.48 44.57 3 0 24.41-999 ?-999 ?-999 ? C36 CE9 A 144 mSER~A 5 -13.09 30.94 41.41 -13.77 31.67 41.37 -10.66 30.78 40.99 -9.73 30.20 40.42 -12.04 30.75 40.40 -12.16 31.80 39.28 2 0 21.31-999 ?-999 ?-999 ? C36 CE9 A 144 mLEU~A 6 -10.52 31.46 42.12 -11.36 31.88 42.46 -8.72 30.11 43.19 -7.57 29.69 43.02 -9.18 31.53 42.76 -9.21 32.45 43.97 3 0 21.26-999 ?-999 ?-999 ? C36 CE9 A 144 mTRP~A 7 -9.67 29.38 43.76 -10.55 29.86 43.82 -9.10 27.06 43.06 -8.24 26.15 43.16 -9.41 28.01 44.24 -10.55 27.49 45.14 3 0 24.65-999 ?-999 ?-999 ? C36 CE9 A 144 mARG~A 8 -9.82 27.26 41.97 -10.49 28.00 42.07 -8.23 26.72 40.17 -7.51 25.80 39.73 -9.61 26.46 40.75 -10.70 26.70 39.72 2 0 23.67-999 ?-999 ?-999 ? C36 CE9 A 144 mPHE~A 9 -7.85 27.99 40.19 -8.53 28.62 40.55 -5.45 27.83 40.60 -4.44 27.33 40.14 -6.53 28.40 39.71 -6.42 29.93 39.65 3 0 20.78-999 ?-999 ?-999 ? C36 CE9 A 144 mSER~A 10 -5.69 27.87 41.90 -6.59 28.22 42.15 -4.46 25.94 42.67 -3.32 25.46 42.73 -4.70 27.44 42.87 -5.13 27.77 44.30 2 0 22.87-999 ?-999 ?-999 ? C33 CE9 A 144 mARG~A 11 -5.55 25.20 42.46 -6.41 25.70 42.44 -4.63 23.42 40.96 -3.73 22.57 40.92 -5.39 23.74 42.26 -6.74 23.07 42.30 2 0 25.73-999 ?-999 ?-999 ? C33 CE9 A 144 mALA~A 12 -5.00 24.16 39.92 -5.71 24.83 40.13 -2.93 24.29 38.63 -2.13 23.60 38.03 -4.42 23.99 38.59 -5.09 24.94 37.60 2 0 23.57-999 ?-999 ?-999 ? C36 CE9 A 144 mLEU~A 13 -2.58 25.34 39.35 -3.34 25.82 39.79 -0.38 24.68 40.27 0.80 24.33 39.98 -1.17 25.73 39.47 -1.11 27.10 40.15 3 0 22.05-999 ?-999 ?-999 ? C33 CE9 A 144 mHIS~A 14 -1.01 24.13 41.30 -1.91 24.53 41.48 -0.04 21.85 41.23 1.08 21.29 41.28 -0.40 23.04 42.09 -1.39 22.58 43.18 3 0 25.59-999 ?-999 ?-999 ? C33 CE9 A 144 mARG~A 15 -1.01 21.45 40.41 -1.85 21.98 40.49 0.40 20.60 38.57 1.21 19.72 38.30 -0.80 20.33 39.49 -2.05 20.05 38.64 2 0 26.97-999 ?-999 ?-999 ? C33 CE9 A 144 mALA~A 16 0.51 21.85 38.12 -0.14 22.51 38.51 2.86 22.21 37.83 3.82 21.59 37.35 1.51 22.19 37.13 1.23 23.52 36.43 2 0 24.42-999 ?-999 ?-999 ? C33 CE9 A 144 mLEU~A 17 2.92 22.85 38.98 2.05 23.17 39.35 4.75 21.78 40.24 5.96 21.51 40.24 4.23 23.05 39.62 4.17 24.14 40.69 3 0 24.77-999 ?-999 ?-999 ? C33 CE9 A 144 mASN~A 18 3.83 20.98 40.78 2.88 21.23 40.63 4.31 18.57 40.73 5.25 17.75 40.81 4.28 19.83 41.55 3.51 19.66 42.85 2 0 28.47-999 ?-999 ?-999 ? C33 CE9 A 144 mASP~A 19 3.31 18.42 39.87 2.70 19.22 39.80 3.52 17.28 37.64 3.45 16.31 36.88 3.17 17.15 39.11 1.75 16.58 39.24 2 0 29.93-999 ?-999 ?-999 ? C33 CE9 A 144 mARG~A 20 3.89 18.49 37.24 3.97 19.14 38.00 3.02 18.47 34.91 3.24 18.06 33.77 4.16 18.83 35.84 5.44 18.18 35.33 2 0 27.51-999 ?-999 ?-999 ? O34 CE9 A 144 mGLN.A 21 1.81 18.58 35.42 1.81 18.82 36.39 -0.06 19.73 34.44 -0.62 20.27 35.37 0.60 18.38 34.64 -0.37 17.45 35.38 2 0 27.32-999 ?-999 ?-999 ? O34 CE9 A 144 mTHR~A 22 0.00 20.24 33.21 0.27 19.57 32.52 -1.61 21.89 32.20 -1.98 23.01 31.91 -0.30 21.65 32.92 0.83 22.32 32.13 2 0 23.75-999 ?-999 ?-999 ? O34 CE9 A 144 mGLU~A 23 -2.36 20.83 31.96 -2.03 19.97 32.37 -4.62 21.87 31.81 -5.24 22.69 31.13 -3.58 20.97 31.14 -4.18 19.62 30.78 2 0 24.04-999 ?-999 ?-999 ? C36 CE9 A 144 mGLU~A 24 -4.81 21.70 33.11 -4.21 21.01 33.52 -5.43 23.93 33.94 -6.28 24.81 33.87 -5.83 22.49 33.85 -6.07 21.98 35.28 2 0 23.36-999 ?-999 ?-999 ? C36 CE9 A 144 mLEU~A 25 -4.14 24.17 34.10 -3.56 23.36 34.16 -3.85 26.22 32.83 -4.20 27.37 32.79 -3.63 25.52 34.17 -2.16 25.56 34.55 3 0 20.34-999 ?-999 ?-999 ? C36 CE9 A 144 mALA~A 26 -3.55 25.52 31.76 -3.23 24.59 31.96 -5.13 26.48 30.13 -5.40 27.48 29.41 -3.69 26.10 30.42 -3.12 25.16 29.35 2 0 18.87-999 ?-999 ?-999 ? C36 CE9 A 144 mTHR~A 27 -6.07 25.72 30.69 -5.73 24.97 31.25 -7.91 27.29 31.11 -8.72 28.07 30.59 -7.50 25.99 30.46 -8.36 24.83 30.97 2 0 19.63-999 ?-999 ?-999 ? C36 CE9 A 144 mILE~A 28 -7.34 27.51 32.28 -6.60 26.86 32.48 -7.09 29.91 32.89 -7.64 30.93 33.20 -7.76 28.60 33.17 -7.62 28.21 34.67 3 0 17.91-999 ?-999 ?-999 ? C36 CE9 A 144 mILE^A 29 -5.93 29.87 32.26 -5.62 28.95 32.05 -5.81 31.74 30.66 -5.93 31.06 29.62 -5.22 31.11 31.93 -3.72 30.84 31.73 3 0 14.57-999 ?-999 ?-999 ? C36 CE9 A 144 mASP^A 30 -6.26 33.01 30.72 -6.16 33.44 31.61 -5.78 33.84 28.47 -4.64 34.11 28.78 -6.84 33.67 29.53 -7.36 35.06 29.87 2 0 12.09-999 ?-999 ?-999 ? C36 CE9 A 144 mASP^A 31 -6.20 33.76 27.20 -7.18 33.64 27.07 -4.47 35.17 26.18 -3.29 35.24 25.76 -5.24 33.86 26.12 -5.90 33.79 24.74 2 0 11.32-999 ?-999 ?-999 ? C36 CE9 A 144 mASN^A 32 -5.10 36.20 26.73 -6.00 35.98 27.11 -4.24 38.03 28.14 -4.26 39.22 28.41 -4.50 37.55 26.75 -5.36 38.57 26.01 2 0 7.52-999 ?-999 ?-999 ? C36 CE9 A 144 mILE^A 33 -3.98 37.09 29.03 -4.03 36.16 28.67 -2.60 38.55 30.51 -1.59 38.59 29.78 -3.66 37.44 30.41 -3.21 36.22 31.23 3 0 7.92-999 ?-999 ?-999 ? C36 CE9 A 144 mASP^A 34 -2.85 39.44 31.48 -3.73 39.29 31.94 -1.34 40.23 33.19 -2.00 40.26 34.20 -1.93 40.54 31.84 -2.72 41.84 31.88 2 0 -5.82-999 ?-999 ?-999 ? O34 CE9 A 144s mTRP^A 35 -0.05 39.84 33.18 0.40 40.02 32.30 1.86 39.94 34.78 2.65 40.47 33.95 0.62 39.21 34.33 1.04 37.79 33.89 3 0 7.74-999 ?-999 ?-999 ? C33 CE9 A 144 mALA^A 36 2.07 39.99 36.10 1.28 39.71 36.65 3.71 39.90 37.96 2.88 39.93 38.88 3.40 40.44 36.61 3.55 42.02 36.60 2 0 9.01-999 ?-999 ?-999 ? C33 CE9 A 144 mILE^A 37 4.94 39.45 38.12 5.47 39.36 37.27 6.64 39.99 39.67 7.55 39.96 38.89 5.45 39.12 39.44 5.92 37.65 39.58 3 0 12.55-999 ?-999 ?-999 ? C32 CE9 A 144 mTYR^A 38 6.61 40.79 40.73 5.83 40.65 41.34 8.80 41.17 41.71 8.73 40.91 42.89 7.65 41.79 40.94 7.11 43.03 41.66 3 0 13.49-999 ?-999 ?-999 ? C32 CE9 A 144 mGLY.A 39 9.92 41.01 41.01 9.87 41.23 40.04 12.32 40.54 40.75 12.20 40.92 39.60 11.12 40.52 41.68-999.99-999.99-999.99 1 0 16.23-999 ?-999 ?-999 ? C32 CE9 A 144 mPRO.A 40 13.47 40.15 41.27 13.40 39.67 42.14 15.01 39.43 39.50 15.39 38.29 39.78 14.73 40.43 40.58 15.78 40.32 41.67 3 0 17.83-999 ?-999 ?-999 ? C32 CE9 A 144 mILE.A 41 14.88 39.88 38.26 14.75 40.87 38.19 16.32 38.46 36.88 16.50 37.47 36.19 14.92 38.96 37.11 14.35 39.54 35.81 3 0 16.61-999 ?-999 ?-999 ? C32 CE9 A 144 mASP.A 42 17.32 39.13 37.47 17.03 39.91 38.01 18.95 37.38 38.00 19.76 36.55 37.56 18.73 38.72 37.31 19.76 39.82 37.76 2 0 19.89-999 ?-999 ?-999 ? C32 CE9 A 144 mMET.A 43 18.27 37.21 39.11 17.72 38.00 39.38 17.27 34.98 39.40 17.53 33.78 39.28 18.33 35.97 39.85 18.15 36.18 41.33 2 0 21.81-999 ?-999 ?-999 ? C32 CE9 A 144 mPHE.A 44 16.06 35.50 39.19 16.04 36.49 39.31 14.30 35.11 37.49 13.44 35.99 37.44 14.89 34.67 38.83 13.83 34.73 39.91 3 0 19.53-999 ?-999 ?-999 ? C32 CE9 A 144 mPRO.A 45 14.76 34.51 36.37 15.31 33.69 36.49 12.93 34.97 34.76 12.42 35.65 33.85 14.41 35.08 35.08 15.21 34.22 34.08 3 0 17.43-999 ?-999 ?-999 ? C32 CE9 A 144 mPHE.A 46 12.27 34.13 35.53 12.84 33.68 36.22 9.97 34.98 36.03 8.74 35.01 35.83 10.84 33.90 35.38 10.46 32.51 35.83 3 0 16.03-999 ?-999 ?-999 ? C32 CE9 A 144 mPHE.A 47 10.61 35.92 36.71 11.59 35.75 36.84 9.67 38.15 36.12 10.17 38.05 34.98 9.91 37.11 37.23 10.60 37.71 38.45 3 0 14.17-999 ?-999 ?-999 ? C32 CE9 A 144 mGLY^A 48 8.92 39.17 36.52 8.60 39.12 37.46 7.22 40.19 35.03 6.39 39.32 35.30 8.57 40.25 35.69-999.99-999.99-999.99 1 0 10.71-999 ?-999 ?-999 ? C32 CE9 A 144 mALA^A 49 7.01 41.13 34.13 7.79 41.75 33.99 5.70 40.31 32.24 6.71 40.14 31.54 5.72 41.22 33.44 5.46 42.69 32.99 2 0 7.19-999 ?-999 ?-999 ? C32 CE9 A 144 mARG^A 50 4.53 39.75 31.98 3.85 39.91 32.69 2.86 39.27 30.24 1.94 39.60 31.02 4.28 38.97 30.77 4.38 37.45 31.07 2 0 7.35-999 ?-999 ?-999 ? C32 CE9 A 144 mGLN^A 51 2.72 39.14 28.94 3.58 38.99 28.46 1.17 37.91 27.55 1.97 37.50 26.70 1.41 39.21 28.30 1.34 40.35 27.28 2 0 -6.00-999 ?-999 ?-999 ? O34 CE9 A 144s mGLY~A 52 -0.04 37.38 27.75 -0.59 37.85 28.44 -0.26 34.90 27.70 0.73 34.71 28.41 -0.52 36.21 27.02-999.99-999.99-999.99 1 0 8.71-999 ?-999 ?-999 ? C36 CE9 A 144 mLYS~A 53 -1.15 33.94 27.43 -1.89 34.20 26.81 0.23 31.92 27.73 0.80 31.26 28.64 -1.05 32.63 27.99 -2.27 31.76 27.56 2 0 12.15-999 ?-999 ?-999 ? C36 CE9 A 144 mALA~A 54 0.73 31.96 26.50 0.20 32.51 25.86 3.14 31.64 27.06 3.88 30.83 27.62 1.99 31.20 26.18 2.38 31.33 24.70 2 0 14.16-999 ?-999 ?-999 ? O34 CE9 A 144 mALA~A 55 3.32 32.95 27.21 2.64 33.51 26.72 4.22 33.16 29.51 5.18 32.89 30.23 4.42 33.48 28.03 4.57 35.01 27.84 2 0 12.41-999 ?-999 ?-999 ? O34 CE9 A 144 mVAL~A 56 2.97 33.18 29.99 2.27 33.43 29.33 2.93 31.34 31.65 3.49 30.97 32.67 2.71 32.83 31.39 1.31 33.31 31.86 3 0 12.82-999 ?-999 ?-999 ? O34 CE9 A 144 mLEU~A 57 2.57 30.49 30.70 2.12 30.90 29.91 4.36 28.80 30.88 4.85 27.96 31.60 2.84 29.06 30.85 2.16 28.22 29.77 3 0 16.38-999 ?-999 ?-999 ? O34 CE9 A 144 mGLU~A 58 5.11 29.59 30.14 4.61 30.25 29.58 7.12 29.85 31.55 7.97 29.14 32.10 6.57 29.46 30.17 7.22 30.24 29.04 2 0 17.00-999 ?-999 ?-999 ? C32 CE9 A 144 mVAL~A 59 6.65 30.97 32.12 6.07 31.52 31.53 6.72 30.12 34.45 7.53 29.76 35.28 6.99 31.30 33.52 6.25 32.57 33.99 3 0 15.90-999 ?-999 ?-999 ? C32 CE9 A 144 mCYH~A 60 5.53 29.52 34.31 4.96 29.84 33.55 5.95 27.23 35.04 6.20 26.50 36.00 5.12 28.49 35.23 3.62 28.20 35.15 2 0 18.42-999 ?-999 ?-999 ? C33 CE9 A 144 mARG~A 61 6.41 27.02 33.81 6.11 27.71 33.16 8.64 26.01 34.16 9.17 25.10 34.75 7.27 25.85 33.47 7.47 25.69 31.96 2 0 21.05-999 ?-999 ?-999 ? C32 CE9 A 144 mGLN~A 62 9.17 27.21 34.05 8.62 27.85 33.50 10.37 27.43 36.21 11.28 26.93 36.87 10.44 27.54 34.69 10.86 28.94 34.30 2 0 20.83-999 ?-999 ?-999 ? C32 CE9 A 144 mILE~A 63 9.28 27.90 36.78 8.63 28.33 36.15 8.98 26.30 38.63 9.59 25.87 39.59 9.09 27.78 38.24 7.81 28.54 38.76 3 0 21.31-999 ?-999 ?-999 ? C32 CE9 A 144 mALA~A 64 8.21 25.52 37.87 7.79 26.00 37.09 9.36 23.35 38.18 9.59 22.42 38.95 8.02 24.09 38.17 7.10 23.43 37.16 2 0 24.18-999 ?-999 ?-999 ? C33 CE9 A 144 mASP~A 65 10.19 23.73 37.23 9.81 24.44 36.64 12.42 23.47 38.28 13.26 22.65 38.67 11.55 23.17 37.09 12.27 23.76 35.88 2 0 25.77-999 ?-999 ?-999 ? C32 CE9 A 144 mSER~A 66 12.19 24.63 38.89 11.35 25.07 38.58 12.78 24.83 41.35 13.68 24.89 42.21 13.09 25.22 39.90 13.07 26.74 39.83 2 0 25.67-999 ?-999 ?-999 ? C32 CE9 A 144 mVAL^A 67 11.52 24.54 41.61 10.94 24.48 40.80 10.03 23.20 43.09 9.35 22.83 42.14 11.03 24.34 42.97 10.39 25.61 43.58 3 0 26.98-999 ?-999 ?-999 ? C32 CE9 A 144 mARG^A 68 9.96 22.67 44.29 10.76 22.88 44.86 8.32 22.40 46.06 9.05 22.57 47.03 8.85 21.86 44.74 9.30 20.41 44.91 2 0 29.19-999 ?-999 ?-999 ? C33 CE9 A 144 mILE^A 69 7.01 22.61 46.06 6.57 22.38 45.19 5.78 22.00 48.03 5.15 21.05 47.52 6.28 23.14 47.20 5.08 24.00 46.76 3 0 28.93-999 ?-999 ?-999 ? C33 CE9 A 144 mTYR^A 70 6.11 22.07 49.33 6.64 22.87 49.59 4.70 21.47 51.31 4.02 20.64 51.94 5.70 21.02 50.25 6.91 20.37 50.89 3 0 32.33-999 ?-999 ?-999 ? C33 CE9 A 144 mARG^A 71 4.54 22.78 51.44 5.14 23.33 50.86 3.03 24.71 51.92 3.75 25.50 51.33 3.55 23.34 52.36 4.11 23.37 53.80 2 0 31.78-999 ?-999 ?-999 ? C33 CE9 A 144 mTYR^A 72 1.72 24.89 52.10 1.24 24.08 52.42 0.43 26.69 53.11 -0.15 25.91 53.87 1.05 26.17 51.85 -0.07 25.98 50.85 3 0 29.34-999 ?-999 ?-999 ? C33 CE9 A 144 mHIS^A 73 0.54 28.00 53.33 1.17 28.47 52.71 -0.86 29.92 53.91 -0.22 30.86 53.48 -0.19 28.65 54.39 0.66 28.98 55.60 3 0 29.84-999 ?-999 ?-999 ? C33 CE9 A 144 mARG^A 74 -2.16 29.92 54.03 -2.50 29.10 54.48 -3.32 31.95 54.73 -4.05 31.55 55.65 -2.99 31.04 53.55 -4.29 30.47 52.97 2 0 28.05-999 ?-999 ?-999 ? C33 CE9 A 144 mGLU^A 75 -2.81 33.19 54.67 -2.41 33.41 53.78 -4.01 35.07 55.77 -4.59 35.39 56.79 -2.85 34.12 55.79 -1.52 34.88 55.90 2 0 28.61-999 ?-999 ?-999 ? C33 CE9 A 144 mSER^A 76 -4.34 35.56 54.59 -3.73 35.30 53.84 -6.05 36.16 53.03 -5.30 35.89 52.11 -5.51 36.42 54.42 -5.14 37.89 54.53 2 0 26.96-999 ?-999 ?-999 ? C33 CE9 A 144 mVAL^A 77 -7.34 36.25 52.92 -7.80 36.45 53.79 -9.23 36.98 51.57 -10.08 36.99 52.47 -8.02 36.06 51.64 -8.53 34.62 51.48 3 0 25.29-999 ?-999 ?-999 ? C33 CE9 A 144 mMET^A 78 -9.28 37.76 50.51 -8.49 37.62 49.91 -10.94 38.40 48.86 -10.32 38.61 47.83 -10.34 38.71 50.23 -9.77 40.13 50.36 2 0 24.12-999 ?-999 ?-999 ? C33 CE9 A 144 mLEU^A 79 -12.13 37.84 48.89 -12.52 37.79 49.81 -13.86 38.28 47.22 -14.70 38.72 47.98 -12.79 37.34 47.69 -13.44 36.00 47.93 3 0 23.74-999 ?-999 ?-999 ? C33 CE9 A 144 mGLY.A 80 -13.86 38.55 45.93 -13.03 38.25 45.46 -15.54 38.33 44.17 -15.12 37.20 44.00 -14.97 39.22 45.28-999.99-999.99-999.99 1 0 22.46-999 ?-999 ?-999 ? C36 CE9 A 144 mILE.A 81 -16.50 38.84 43.41 -16.72 39.80 43.59 -16.14 37.55 41.33 -16.05 36.34 41.02 -17.16 38.02 42.40 -18.36 38.74 41.76 3 0 22.03-999 ?-999 ?-999 ? C36 CE9 A 144 mASP.A 82 -15.43 38.49 40.75 -15.54 39.40 41.15 -13.13 38.54 39.94 -12.34 38.96 39.09 -14.55 38.11 39.60 -15.03 38.81 38.30 2 0 18.38-999 ?-999 ?-999 ? C36 CE9 A 144 mSER^A 83 -12.83 38.48 41.22 -13.51 38.04 41.80 -11.20 38.52 43.09 -12.00 38.04 43.85 -11.58 39.03 41.71 -11.62 40.57 41.70 2 0 17.84-999 ?-999 ?-999 ? C36 CE9 A 144 mALA^A 84 -9.93 38.59 43.40 -9.33 38.94 42.68 -8.16 38.78 45.07 -7.37 39.10 44.17 -9.51 38.17 44.73 -9.44 36.65 44.83 2 0 19.41-999 ?-999 ?-999 ? C33 CE9 A 144 mALA^A 85 -7.93 38.92 46.37 -8.74 38.79 46.94 -6.24 38.31 48.01 -7.10 37.91 48.82 -6.58 39.25 46.89 -6.52 40.71 47.38 2 0 19.55-999 ?-999 ?-999 ? C33 CE9 A 144 mSER^A 86 -5.00 37.87 48.04 -4.40 38.24 47.34 -3.15 37.04 49.45 -2.32 37.42 48.63 -4.59 36.91 49.06 -4.86 35.49 48.56 2 0 21.72-999 ?-999 ?-999 ? C33 CE9 A 144 mMET^A 87 -2.90 36.69 50.68 -3.73 36.50 51.21 -1.31 35.14 51.59 -2.05 34.56 52.38 -1.58 36.58 51.22 -1.46 37.38 52.47 2 0 23.34-999 ?-999 ?-999 ? C33 CE9 A 144 mVAL^A 88 -0.26 34.56 51.02 0.28 35.16 50.42 1.55 32.96 51.37 2.34 33.69 50.77 0.06 33.16 51.28 -0.60 32.24 50.21 3 0 24.80-999 ?-999 ?-999 ? C33 CE9 A 144 mARG^A 89 1.90 31.97 52.17 1.11 31.55 52.62 3.46 30.13 51.80 2.67 29.23 52.02 3.29 31.54 52.36 3.66 31.55 53.82 2 0 26.71-999 ?-999 ?-999 ? C33 CE9 A 144 mTYR^A 90 4.48 30.01 50.98 4.95 30.88 50.84 6.13 28.26 51.07 7.11 29.02 51.19 4.88 28.73 50.36 5.29 28.92 48.90 3 0 26.91-999 ?-999 ?-999 ? C33 CE9 A 144 mSER^A 91 6.16 26.98 51.44 5.27 26.52 51.38 7.83 25.42 50.77 7.09 24.54 50.37 7.40 26.34 51.88 7.24 25.54 53.17 2 0 30.06-999 ?-999 ?-999 ? C33 CE9 A 144 mLEU^A 92 9.02 25.67 50.28 9.50 26.42 50.71 10.94 24.45 49.29 11.74 24.92 50.12 9.53 24.87 49.18 9.29 25.56 47.86 3 0 29.73-999 ?-999 ?-999 ? C33 CE9 A 144 mTHR^A 93 11.27 23.53 48.40 10.51 23.12 47.88 13.06 23.33 46.77 12.35 22.95 45.81 12.65 23.20 48.23 13.07 21.88 48.92 2 0 31.31-999 ?-999 ?-999 ? C32 CE9 A 144 mALA^A 94 14.23 23.92 46.66 14.61 24.18 47.55 15.43 22.92 44.75 16.09 22.09 45.38 14.89 24.18 45.39 15.98 25.18 45.59 2 0 29.85-999 ?-999 ?-999 ? C32 CE9 A 144 mALA.A 95 15.13 22.79 43.46 14.55 23.52 43.10 17.16 21.60 42.72 17.87 22.59 42.65 15.64 21.68 42.67 15.18 21.78 41.18 2 0 30.76-999 ?-999 ?-999 ? C32 CE9 A 144 mGLY.A 96 17.62 20.36 42.81 16.90 19.68 42.92 19.82 20.28 44.00 20.56 19.41 44.49 19.04 20.04 42.73-999.99-999.99-999.99 1 0 33.69-999 ?-999 ?-999 ? C32 CE9 A 144 mTHR.A 97 19.69 21.48 44.51 19.03 22.07 44.03 19.71 21.51 46.92 20.29 21.39 47.98 20.46 21.88 45.67 20.65 23.39 45.75 2 0 34.36-999 ?-999 ?-999 ? C32 CE9 A 144 mASN.A 98 18.42 21.30 46.72 18.18 21.39 45.76 17.42 22.06 48.92 17.07 21.79 50.08 17.47 20.99 47.79 17.78 19.60 48.37 2 0 34.57-999 ?-999 ?-999 ? C32 CE9 A 144 mARG.A 99 17.80 23.25 48.57 18.12 23.30 47.63 16.26 24.62 50.00 15.39 24.78 49.17 17.74 24.37 49.52 18.31 25.62 48.81 2 0 33.38-999 ?-999 ?-999 ? C32 CE9 A 144 mPRO^A 100 15.98 24.63 51.32 16.70 24.33 51.95 14.46 26.55 51.69 15.28 27.33 52.18 14.66 25.07 51.71 14.51 24.59 53.16 3 0 33.01-999 ?-999 ?-999 ? C32 CE9 A 144 mILE^A 101 13.31 26.92 51.18 12.69 26.18 50.90 11.57 28.54 51.40 10.73 27.77 51.02 13.03 28.31 51.04 13.31 28.80 49.60 3 0 29.95-999 ?-999 ?-999 ? C32 CE9 A 144 mSER^A 102 11.34 29.57 52.18 12.17 29.99 52.53 9.72 31.34 51.79 10.58 32.23 51.83 9.95 30.02 52.50 9.79 30.11 54.02 2 0 29.09-999 ?-999 ?-999 ? C32 CE9 A 144 mVAL^A 103 8.58 31.47 51.12 7.97 30.68 51.22 6.90 33.20 50.76 5.92 32.48 50.75 8.24 32.65 50.32 8.16 32.28 48.83 3 0 25.46-999 ?-999 ?-999 ? C33 CE9 A 144 mARG^A 104 6.87 34.48 51.15 7.75 34.95 51.18 5.19 36.04 50.35 5.97 36.90 49.90 5.62 35.11 51.49 5.75 35.93 52.76 2 0 24.64-999 ?-999 ?-999 ? C33 CE9 A 144 mMET^A 105 3.98 35.85 49.87 3.42 35.20 50.40 2.14 37.15 48.89 1.36 36.64 49.67 3.52 36.53 48.66 3.44 35.57 47.47 2 0 21.15-999 ?-999 ?-999 ? C33 CE9 A 144 mALA^A 106 1.89 38.24 48.19 2.70 38.60 47.72 0.17 38.89 46.64 0.92 39.36 45.77 0.58 38.88 48.10 0.64 40.30 48.65 2 0 19.51-999 ?-999 ?-999 ? C33 CE9 A 144 mLEU^A 107 -1.00 38.33 46.39 -1.50 38.13 47.23 -2.86 38.78 44.83 -3.75 38.69 45.65 -1.53 38.03 45.05 -1.76 36.49 45.00 3 0 17.13-999 ?-999 ?-999 ? C33 CE9 A 144 mPHE^A 108 -2.95 39.52 43.74 -2.08 39.63 43.25 -4.54 39.59 41.94 -3.73 39.64 41.00 -4.17 40.13 43.28 -4.04 41.66 43.19 3 0 15.27-999 ?-999 ?-999 ? C33 CE9 A 144 mTHR^A 109 -5.77 39.05 41.85 -6.34 39.14 42.66 -7.57 38.91 40.16 -8.42 39.31 40.93 -6.22 38.39 40.64 -6.37 36.86 40.87 2 0 14.59-999 ?-999 ?-999 ? C33 CE9 A 144 mGLN^A 110 -7.71 38.92 38.86 -6.87 38.69 38.36 -9.31 38.08 37.26 -8.43 37.46 36.65 -8.96 39.23 38.20 -8.83 40.55 37.39 2 0 13.69-999 ?-999 ?-999 ? C36 CE9 A 144 mPHE^A 111 -10.61 37.81 37.14 -11.20 38.40 37.69 -12.26 37.22 35.44 -13.00 38.15 35.78 -11.11 36.74 36.30 -11.62 35.57 37.14 3 0 14.74-999 ?-999 ?-999 ? C36 CE9 A 144 mGLN^A 112 -12.40 36.54 34.31 -11.67 35.88 34.13 -13.85 35.44 32.79 -13.00 34.75 32.23 -13.51 36.76 33.42 -13.15 37.78 32.36 2 0 14.92-999 ?-999 ?-999 ? C36 CE9 A 144 mASN.A 113 -15.10 35.09 32.95 -15.64 35.69 33.54 -14.84 32.72 32.74 -14.65 31.77 32.00 -15.63 33.92 32.30 -15.54 34.07 30.80 2 0 17.77-999 ?-999 ?-999 ? C36 CE9 A 144 mGLY.A 114 -14.38 32.84 33.97 -14.47 33.77 34.32 -12.34 31.56 34.38 -11.69 30.57 34.74 -13.79 31.73 34.72-999.99-999.99-999.99 1 0 18.74-999 ?-999 ?-999 ? C36 CE9 A 144 mARG^A 115 -11.81 32.53 33.66 -12.46 33.26 33.41 -9.66 33.63 33.98 -10.19 34.73 34.12 -10.40 32.50 33.29 -10.23 32.62 31.78 2 0 15.72-999 ?-999 ?-999 ? C36 CE9 A 144 mLEU^A 116 -8.42 33.36 34.33 -8.18 32.41 34.14 -7.06 35.35 33.85 -6.38 34.97 32.90 -7.51 34.38 34.93 -6.30 33.71 35.57 3 0 13.71-999 ?-999 ?-999 ? C36 CE9 A 144 mTHR^A 117 -7.41 36.61 34.04 -7.88 36.76 34.91 -6.10 38.69 33.51 -5.46 39.36 32.72 -7.14 37.68 33.06 -8.43 38.43 32.67 2 0 10.14-999 ?-999 ?-999 ? C36 CE9 A 144 mASN^A 118 -5.91 38.76 34.81 -6.49 38.13 35.32 -4.39 39.08 36.71 -5.15 38.64 37.59 -4.94 39.67 35.41 -5.58 41.06 35.63 2 0 9.69-999 ?-999 ?-999 ? C36 CE9 A 144 mLEU^A 119 -3.06 39.10 36.82 -2.57 39.38 35.99 -1.24 39.67 38.35 -0.45 40.06 37.45 -2.37 38.74 38.04 -1.87 37.28 37.95 3 0 11.04-999 ?-999 ?-999 ? C33 CE9 A 144 mARG^A 120 -1.16 40.04 39.62 -1.93 39.72 40.18 0.36 40.22 41.46 -0.47 39.89 42.33 -0.07 40.83 40.15 -0.49 42.29 40.39 2 0 11.40-999 ?-999 ?-999 ? C33 CE9 A 144 mMET^A 121 1.64 39.97 41.56 2.16 40.21 40.74 3.39 40.23 43.26 4.28 40.55 42.53 2.23 39.41 42.76 2.71 37.99 42.51 2 0 14.47-999 ?-999 ?-999 ? C33 CE9 A 144 mVAL^A 122 3.33 40.53 44.54 2.44 40.29 44.93 4.87 40.14 46.35 4.07 39.57 47.09 4.42 41.14 45.33 3.91 42.39 46.12 3 0 16.66-999 ?-999 ?-999 ? C33 CE9 A 144 mLEU^A 123 6.17 39.94 46.46 6.73 40.38 45.75 7.93 39.70 48.21 8.46 40.73 47.79 6.70 39.14 47.54 7.06 37.76 47.03 3 0 19.90-999 ?-999 ?-999 ? C32 CE9 A 144 mASP~A 124 8.24 39.10 49.34 7.63 38.33 49.55 10.65 39.03 49.51 11.19 37.96 49.81 9.38 39.55 50.19 9.19 39.14 51.68 2 0 22.95-999 ?-999 ?-999 ? C32 CE9 A 144 mTHR~A 125 11.07 39.84 48.56 10.59 40.72 48.56 13.50 39.54 48.28 14.35 38.77 47.91 12.12 39.51 47.62 12.09 40.42 46.38 2 0 21.80-999 ?-999 ?-999 ? C32 CE9 A 144 mPHE~A 126 13.71 40.40 49.26 12.95 41.00 49.48 15.17 39.12 50.74 16.23 38.44 50.69 15.00 40.41 49.94 15.18 41.68 50.81 3 0 24.95-999 ?-999 ?-999 ? C32 CE9 A 144 mASP~A 127 14.14 38.76 51.46 13.35 39.37 51.38 14.39 36.35 51.36 15.19 35.44 51.65 14.18 37.54 52.27 12.91 37.37 53.08 2 0 27.23-999 ?-999 ?-999 ? C32 CE9 A 144 mLEU~A 128 13.75 36.39 50.19 13.21 37.23 50.06 15.30 35.16 48.75 15.90 34.08 48.74 13.86 35.28 49.22 12.94 35.46 47.99 3 0 25.41-999 ?-999 ?-999 ? C32 CE9 A 144 mVAL~A 129 15.89 36.29 48.38 15.32 37.10 48.52 18.22 35.84 48.88 19.15 35.07 48.61 17.26 36.30 47.80 17.71 37.70 47.21 3 0 25.77-999 ?-999 ?-999 ? C32 CE9 A 144 mGLU~A 130 18.02 36.32 50.10 17.25 36.94 50.19 18.90 34.44 51.43 19.96 33.78 51.64 18.91 35.93 51.19 18.58 36.64 52.48 2 0 29.34-999 ?-999 ?-999 ? C32 CE9 A 144 mGLN~A 131 17.69 33.89 51.43 16.95 34.53 51.26 18.15 31.63 50.55 18.79 30.59 50.80 17.54 32.45 51.67 16.07 32.07 51.80 2 0 30.30-999 ?-999 ?-999 ? C32 CE9 A 144 mALA~A 132 18.00 32.12 49.33 17.52 32.99 49.29 20.06 31.39 48.12 20.70 30.39 47.72 18.52 31.39 48.15 17.94 31.98 46.83 2 0 28.89-999 ?-999 ?-999 ? C32 CE9 A 144 mLEU~A 133 20.67 32.49 48.57 20.04 33.16 48.97 22.77 32.05 49.71 23.92 31.56 49.68 22.14 32.68 48.48 22.56 34.15 48.47 3 0 30.75-999 ?-999 ?-999 ? C32 CE9 A 144 mGLY~A 134 22.00 32.11 50.78 21.20 32.69 50.64 23.25 32.23 52.81 23.88 31.77 53.78 22.27 31.40 52.03-999.99-999.99-999.99 1 0 33.67-999 ?-999 ?-999 ? C32 CE9 A 144 mARG.A 135 23.41 33.45 52.31 22.85 33.60 51.49 23.72 35.88 52.66 22.73 36.05 51.92 24.30 34.48 52.86 25.67 34.43 52.17 2 0 34.35-999 ?-999 ?-999 ? C32 CE9 A 144