HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-OCT-05 2D5A COMPND HYPOTHETICAL PROTEIN PH1109; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 GENE: PH1109; 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 AUTHOR T.B.HIYAMA,S.SEKINE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET COA A 200 48 SITE 1 AC1 26 GLU A 2 GLY A 29 SER A 31 LYS A 33 mMET.A 1 22.01 15.31 47.01 21.62 14.96 47.87 24.08 15.44 45.74 24.98 16.22 46.08 22.59 15.82 45.75 22.38 17.34 45.70 2 0 28.97-999 ?-999 ?-999 ? S1P COA A 200 mGLU.A 2 24.35 14.19 45.39 23.56 13.61 45.18 26.37 14.38 44.09 25.76 14.57 43.04 25.73 13.77 45.32 25.83 12.26 45.29 2 0 -25.84-999 ?-999 ?-999 ? O5P COA A 200s mGLU.A 3 27.62 14.74 44.29 27.95 14.57 45.22 29.12 14.22 42.51 29.32 13.14 43.07 28.44 15.34 43.26 29.53 16.20 43.91 2 0 22.68-999 ?-999 ?-999 ? S1P COA A 200 mTHR.A 4 29.47 14.47 41.26 29.17 15.36 40.90 31.64 13.38 41.20 32.19 14.36 41.74 30.23 13.48 40.52 30.41 13.87 39.02 2 0 19.45-999 ?-999 ?-999 ? O5P COA A 200 mARG.A 5 32.19 12.18 41.21 31.64 11.46 40.79 34.13 10.84 40.94 33.44 10.07 40.25 33.49 11.96 41.79 33.37 11.48 43.26 2 0 17.43-999 ?-999 ?-999 ? O5P COA A 200 mPRO.A 6 35.47 10.71 40.99 35.96 11.35 41.58 35.57 8.27 40.48 35.39 7.86 41.62 36.08 9.65 40.18 37.56 9.82 40.48 3 0 14.32-999 ?-999 ?-999 ? O5P COA A 200 mILE.A 7 35.40 7.51 39.42 35.64 7.93 38.54 35.74 5.12 40.34 35.27 4.02 40.67 34.90 6.18 39.57 34.51 5.73 38.12 3 0 15.23-999 ?-999 ?-999 ? O5P COA A 200 mASP.A 8 37.04 5.41 40.58 37.37 6.30 40.27 37.63 4.59 42.76 38.12 3.84 43.59 37.88 4.43 41.27 39.40 4.61 40.91 2 0 14.96-999 ?-999 ?-999 ? O5P COA A 200 mGLY.A 9 36.91 5.65 43.07 36.73 6.28 42.32 37.49 6.22 45.47 37.34 5.90 46.67 36.44 5.81 44.46-999.99-999.99-999.99 1 0 17.85-999 ?-999 ?-999 ? O5P COA A 200 mLEU.A 10 38.56 6.88 44.99 38.54 7.05 44.00 39.51 8.75 46.14 39.20 9.55 45.26 39.67 7.31 45.86 41.07 7.04 45.12 3 0 17.26-999 ?-999 ?-999 ? O5P COA A 200 mTHR~A 11 39.85 9.18 47.39 40.17 8.50 48.04 40.95 11.25 47.30 41.95 10.58 47.02 39.72 10.57 47.71 39.64 10.75 49.24 2 0 18.80-999 ?-999 ?-999 ? O5P COA A 200 mASP~A 12 40.90 12.57 47.31 40.01 12.95 47.57 43.17 13.05 47.93 44.37 13.07 47.56 42.02 13.40 46.98 41.68 14.87 47.15 2 0 17.05-999 ?-999 ?-999 ? S1P COA A 200 mGLU~A 13 42.80 12.69 49.16 41.82 12.66 49.35 44.53 11.12 49.75 45.76 11.05 49.87 43.83 12.39 50.13 43.25 12.28 51.57 2 0 19.74-999 ?-999 ?-999 ? S1P COA A 200 mASP~A 14 43.78 10.10 49.31 42.80 10.27 49.26 45.40 9.08 47.76 46.49 8.53 47.77 44.42 8.84 48.95 43.41 7.80 48.49 2 0 18.97-999 ?-999 ?-999 ? O5P COA A 200 mILE~A 15 44.99 9.88 46.79 44.10 10.31 46.96 46.99 10.85 46.05 48.13 10.56 45.67 45.81 10.06 45.60 45.05 10.84 44.46 3 0 15.51-999 ?-999 ?-999 ? O5P COA A 200 mARG~A 16 46.78 11.89 46.83 45.82 12.07 47.05 48.97 11.74 48.02 50.22 11.86 47.80 47.97 12.66 47.30 47.54 13.81 48.25 2 0 16.58-999 ?-999 ?-999 ? S1P COA A 200 mGLU~A 17 48.52 10.79 48.81 47.52 10.79 48.90 50.17 8.95 48.52 51.38 8.70 48.66 49.42 9.83 49.48 48.68 8.89 50.44 2 0 19.37-999 ?-999 ?-999 ? S1P COA A 200 mILE~A 18 49.43 8.46 47.51 48.47 8.73 47.49 51.15 8.44 45.80 52.24 7.92 45.54 50.08 7.58 46.55 49.00 7.09 45.51 3 0 17.05-999 ?-999 ?-999 ? O5P COA A 200 mLEU~A 19 50.86 9.72 45.48 49.99 10.04 45.85 53.03 11.00 45.46 54.03 11.42 44.89 51.80 10.56 44.67 51.15 11.77 44.09 3 0 15.08-999 ?-999 ?-999 ? S1P COA A 200 mTHR~A 20 52.84 11.01 46.78 51.92 10.74 47.09 54.92 10.26 48.04 56.19 10.45 48.13 53.98 11.42 47.67 53.38 11.98 48.98 2 0 18.35-999 ?-999 ?-999 ? S1P COA A 200 mARG~A 21 54.31 9.10 48.27 53.32 9.15 48.10 55.47 6.93 47.68 56.55 6.33 47.81 54.97 7.88 48.73 54.03 7.07 49.69 2 0 20.59-999 ?-999 ?-999 ? S1P COA A 200 mTYR~A 22 54.66 6.68 46.62 53.84 7.25 46.52 55.74 6.20 44.47 55.06 6.60 43.51 55.07 5.59 45.70 53.81 4.78 45.32 3 0 18.43-999 ?-999 ?-999 ? O5P COA A 200 mLYS.A 23 57.06 6.30 44.49 57.54 5.86 45.25 58.53 6.14 42.44 59.14 6.70 41.54 57.71 7.02 43.40 58.60 8.10 43.96 2 0 17.79-999 ?-999 ?-999 ? O5P COA A 200 mLYS^A 24 58.46 4.84 42.67 57.93 4.62 43.50 58.06 3.50 40.71 57.10 2.70 41.07 59.16 3.85 41.71 59.56 2.57 42.48 2 0 17.66-999 ?-999 ?-999 ? C2A COA A 200 mILE^A 25 58.19 4.04 39.50 59.05 4.52 39.35 57.53 3.03 37.33 58.67 3.28 36.82 57.08 3.88 38.51 56.72 5.27 37.92 3 0 14.27-999 ?-999 ?-999 ? C2A COA A 200 mALA^A 26 56.71 2.08 36.86 55.91 1.92 37.44 56.00 2.05 34.67 54.77 1.85 34.88 57.00 1.36 35.58 56.65 -0.08 35.70 2 0 10.73-999 ?-999 ?-999 ? C2A COA A 200 mLEU^A 27 56.48 2.76 33.64 57.48 2.71 33.53 55.51 2.71 31.46 56.39 2.68 30.61 55.58 3.53 32.77 56.12 4.95 32.55 3 0 8.87-999 ?-999 ?-999 ? C2A COA A 200 mVAL^A 28 54.32 2.10 31.32 53.63 2.38 31.98 53.58 1.75 28.99 52.57 2.47 29.08 54.16 1.08 30.20 53.17 -0.06 30.74 3 0 5.29-999 ?-999 ?-999 ? C2A COA A 200 mGLY.A 29 54.21 1.53 27.84 54.93 0.85 27.89 54.69 3.54 26.43 54.46 4.42 25.62 53.80 2.30 26.63-999.99-999.99-999.99 1 0 -3.40-999 ?-999 ?-999 ? N3A COA A 200s mALA.A 30 55.82 3.54 27.18 55.96 2.77 27.81 57.16 4.83 25.55 57.37 3.84 24.86 56.75 4.67 27.02 58.03 4.38 27.83 2 0 6.27-999 ?-999 ?-999 ? N3A COA A 200 mSER.A 31 57.42 6.07 25.14 57.38 6.77 25.85 58.66 7.56 23.66 58.51 8.51 24.48 57.73 6.33 23.72 56.44 6.75 22.98 2 0 -3.99-999 ?-999 ?-999 ? O7A COA A 200s mPRO.A 32 59.63 7.57 22.73 59.67 6.75 22.15 59.83 9.80 21.77 60.41 10.90 21.55 60.53 8.69 22.61 61.71 8.13 21.80 3 0 5.83-999 ?-999 ?-999 ? O7A COA A 200 mLYS.A 33 58.60 9.51 21.21 58.25 8.59 21.38 57.34 11.70 21.32 56.44 11.44 22.13 57.91 10.59 20.40 56.76 9.91 19.59 2 0 -5.54-999 ?-999 ?-999 ? O7A COA A 200s mPRO.A 34 57.80 12.96 21.16 58.46 13.05 20.41 55.90 14.29 22.01 55.27 14.70 23.00 57.39 14.11 22.00 58.12 15.29 21.35 3 0 9.13-999 ?-999 ?-999 ? O7A COA A 200 mGLU.A 35 55.33 13.94 20.89 55.95 13.61 20.19 53.08 13.06 21.60 51.96 13.41 21.96 53.91 14.04 20.73 53.57 13.77 19.21 2 0 8.98-999 ?-999 ?-999 ? O8A COA A 200 mARG~A 36 53.56 11.83 21.92 54.48 11.62 21.60 52.58 11.33 24.08 53.53 11.86 24.69 52.75 10.88 22.67 53.47 9.52 22.74 2 0 -6.12-999 ?-999 ?-999 ? O9P COA A 200s mASP~A 37 51.37 11.11 24.61 50.68 10.72 24.00 52.08 10.76 26.96 52.50 11.32 28.00 51.13 11.46 26.00 49.70 11.06 26.37 2 0 -4.65-999 ?-999 ?-999 ? O9P COA A 200s mALA~A 38 52.42 9.52 26.65 52.00 9.14 25.83 54.73 9.58 27.64 55.43 9.51 28.71 53.38 8.82 27.55 53.64 7.35 27.00 2 0 5.78-999 ?-999 ?-999 ? O9P COA A 200 mASN~A 39 55.16 10.25 26.58 54.53 10.25 25.81 56.37 12.15 27.50 57.23 12.49 28.34 56.49 10.92 26.61 56.89 11.27 25.18 2 0 8.69-999 ?-999 ?-999 ? O7A COA A 200 mILE~A 40 55.28 12.90 27.26 54.69 12.57 26.53 54.94 13.81 29.56 55.64 14.46 30.37 55.06 14.14 28.07 53.68 14.80 27.68 3 0 7.91-999 ?-999 ?-999 ? C3P COA A 200 mVAL~A 41 54.15 12.81 29.94 53.71 12.31 29.19 55.32 11.93 31.94 55.65 12.21 33.08 53.98 12.51 31.37 52.83 11.50 31.63 3 0 6.64-999 ?-999 ?-999 ? C3P COA A 200 mMET~A 42 55.97 11.06 31.16 55.53 10.84 30.29 58.28 11.68 31.96 58.88 11.75 33.04 57.30 10.52 31.68 57.92 9.59 30.61 2 0 10.11-999 ?-999 ?-999 ? C3P COA A 200 mLYS~A 43 58.39 12.64 31.05 57.84 12.54 30.23 58.85 14.51 32.62 59.61 14.89 33.49 59.31 13.76 31.34 59.18 14.73 30.16 2 0 11.94-999 ?-999 ?-999 ? S1P COA A 200 mTYR~A 44 57.54 14.77 32.69 56.98 14.46 31.92 57.32 14.69 35.20 57.78 15.29 36.21 57.04 15.48 33.88 55.54 15.72 33.75 3 0 10.10-999 ?-999 ?-999 ? S1P COA A 200 mLEU~A 45 57.12 13.37 35.20 56.82 12.95 34.34 58.84 12.69 36.74 59.21 12.85 37.92 57.33 12.64 36.42 56.89 11.19 36.30 3 0 11.56-999 ?-999 ?-999 ? S1P COA A 200 mLEU~A 46 59.69 12.53 35.74 59.26 12.41 34.84 61.54 13.94 36.60 62.40 14.06 37.48 61.17 12.55 36.02 62.03 12.34 34.74 3 0 14.85-999 ?-999 ?-999 ? S1P COA A 200 mGLU~A 47 60.88 14.98 36.11 60.21 14.75 35.40 60.72 16.59 38.07 61.18 17.58 38.69 61.19 16.36 36.65 60.54 17.45 35.75 2 0 15.01-999 ?-999 ?-999 ? S1P COA A 200 mHIS~A 48 59.82 15.73 38.56 59.55 15.00 37.94 59.69 14.70 40.86 58.96 14.36 41.78 59.27 15.82 39.88 57.72 15.90 39.82 3 0 14.92-999 ?-999 ?-999 ? S1P COA A 200 mGLY.A 49 60.87 14.13 40.60 61.29 14.38 39.73 61.01 11.75 41.49 61.25 10.95 42.38 61.45 13.19 41.58-999.99-999.99-999.99 1 0 17.72-999 ?-999 ?-999 ? S1P COA A 200 mTYR.A 50 60.23 11.44 40.42 60.02 12.16 39.77 60.92 9.26 39.63 61.63 9.82 38.76 59.78 10.06 40.31 58.56 9.99 39.37 3 0 16.26-999 ?-999 ?-999 ? S1P COA A 200 mASP^A 51 61.06 7.96 40.03 60.45 7.63 40.75 61.28 6.33 38.33 60.62 5.36 38.68 62.11 7.15 39.38 62.69 6.26 40.44 2 0 18.06-999 ?-999 ?-999 ? C2A COA A 200 mVAL^A 52 61.43 6.72 37.07 62.18 7.37 36.91 61.24 5.28 35.14 62.08 5.73 34.33 60.52 6.19 36.05 59.88 7.31 35.17 3 0 14.40-999 ?-999 ?-999 ? C2A COA A 200 mTYR^A 53 60.83 4.00 35.22 60.12 3.84 35.91 60.45 2.77 33.15 59.34 2.28 33.34 61.42 2.94 34.33 61.44 1.65 35.14 3 0 12.11-999 ?-999 ?-999 ? C2A COA A 200 mPRO^A 54 60.85 3.20 31.96 61.74 3.65 31.94 59.94 1.50 30.44 60.90 0.72 30.51 59.99 3.00 30.80 60.66 3.80 29.67 3 0 8.94-999 ?-999 ?-999 ? C2A COA A 200 mVAL^A 55 58.74 1.07 30.05 58.02 1.77 30.06 57.86 -0.35 28.29 56.75 0.15 28.10 58.54 -0.35 29.67 57.56 -1.07 30.67 3 0 5.98-999 ?-999 ?-999 ? C2A COA A 200 mASN.A 56 58.54 -0.95 27.29 59.42 -1.36 27.54 59.01 -1.91 25.19 60.15 -1.50 24.99 57.98 -1.00 25.94 58.01 0.38 25.24 2 0 -3.73-999 ?-999 ?-999 ? C2A COA A 200s mPRO.A 57 58.60 -3.12 24.82 57.65 -3.32 25.06 60.05 -3.52 22.81 61.03 -4.12 22.31 59.50 -4.05 24.11 58.60 -5.32 23.79 3 0 -5.93-999 ?-999 ?-999 ? N1A COA A 200s mLYS.A 58 59.47 -2.45 22.27 58.70 -2.06 22.79 61.30 -1.16 21.21 62.07 -1.04 20.25 59.96 -1.93 21.01 58.95 -0.95 20.44 2 0 -5.85-999 ?-999 ?-999 ? O2B COA A 200s mTYR.A 59 61.48 -0.56 22.39 60.79 -0.79 23.07 63.67 -0.07 23.60 63.30 -0.79 24.53 62.67 0.39 22.56 62.17 1.79 23.03 3 0 -7.76-999 ?-999 ?-999 ? O2B COA A 200s mGLU.A 60 64.93 0.35 23.43 65.09 0.92 22.62 66.34 1.16 25.32 66.80 0.96 26.43 65.98 -0.02 24.40 67.21 -0.51 23.58 2 0 11.46-999 ?-999 ?-999 ? O2B COA A 200 mGLU^A 61 66.00 2.37 24.85 65.60 2.37 23.93 65.21 4.68 25.33 64.88 4.88 24.17 66.25 3.59 25.70 67.71 4.08 25.49 2 0 11.29-999 ?-999 ?-999 ? O7A COA A 200 mVAL^A 62 64.63 5.28 26.37 64.91 4.94 27.27 63.94 7.45 27.17 64.03 7.16 28.36 63.67 6.35 26.13 62.22 5.82 26.36 3 0 9.38-999 ?-999 ?-999 ? O7A COA A 200 mLEU.A 63 64.11 8.66 26.64 64.06 8.67 25.64 65.58 9.57 28.43 65.65 9.99 29.61 64.35 9.86 27.51 63.09 10.17 28.42 3 0 11.71-999 ?-999 ?-999 ? O7A COA A 200 mGLY.A 64 66.53 8.84 27.86 66.34 8.50 26.94 67.69 7.53 29.67 68.65 7.36 30.43 67.74 8.60 28.62-999.99-999.99-999.99 1 0 14.45-999 ?-999 ?-999 ? O7A COA A 200 mARG^A 65 66.58 6.82 29.73 65.91 7.06 29.03 66.40 4.44 30.00 65.78 4.30 28.90 66.41 5.78 30.77 65.03 5.89 31.45 2 0 14.53-999 ?-999 ?-999 ? O7A COA A 200 mLYS^A 66 67.05 3.43 30.55 67.54 3.66 31.40 65.47 1.71 29.81 64.80 1.85 30.85 66.96 2.09 29.84 67.62 1.02 30.76 2 0 13.83-999 ?-999 ?-999 ? C2A COA A 200 mCYH.A 67 65.07 1.11 28.70 65.80 0.93 28.04 63.59 -0.77 28.57 64.36 -1.44 27.90 63.63 0.76 28.53 63.23 1.33 27.19 2 0 10.04-999 ?-999 ?-999 ? C2A COA A 200 mTYR.A 68 62.60 -1.30 29.32 61.94 -0.65 29.68 61.35 -3.34 28.76 60.34 -2.70 28.54 62.55 -2.75 29.55 62.34 -2.94 31.06 3 0 9.22-999 ?-999 ?-999 ? C2A COA A 200 mPRO.A 69 61.47 -4.62 28.43 62.33 -5.03 28.75 59.30 -5.88 28.54 58.26 -6.28 27.98 60.44 -5.34 27.66 61.23 -6.45 26.93 3 0 7.41-999 ?-999 ?-999 ? N1A COA A 200 mSER~A 70 59.46 -5.80 29.88 60.33 -5.43 30.19 58.64 -5.56 32.12 59.81 -5.20 32.47 58.40 -6.24 30.77 58.49 -7.78 30.86 2 0 7.83-999 ?-999 ?-999 ? N1A COA A 200 mVAL~A 71 57.58 -5.41 32.94 56.70 -5.71 32.58 58.69 -5.80 35.07 59.38 -5.41 36.01 57.81 -4.82 34.28 56.38 -4.66 34.93 3 0 9.92-999 ?-999 ?-999 ? C2A COA A 200 mLEU~A 72 58.61 -7.12 34.75 58.03 -7.36 33.97 60.88 -8.03 35.29 61.65 -8.57 36.13 59.36 -8.10 35.54 58.87 -9.55 35.19 3 0 12.70-999 ?-999 ?-999 ? N1A COA A 200 mASP~A 73 61.29 -7.41 34.18 60.56 -7.07 33.59 63.35 -6.08 34.55 64.62 -5.99 34.52 62.72 -7.27 33.89 62.99 -7.14 32.37 2 0 13.07-999 ?-999 ?-999 ? N1A COA A 200 mILE~A 74 62.55 -5.27 35.28 61.59 -5.54 35.36 63.95 -4.49 37.13 63.46 -5.14 38.04 63.15 -4.05 35.90 62.03 -3.12 36.31 3 0 13.81-999 ?-999 ?-999 ? C2A COA A 200 mPRO.A 75 65.25 -4.05 37.19 65.56 -3.48 36.43 65.94 -3.55 39.59 66.92 -2.92 40.10 66.09 -4.46 38.35 67.53 -4.41 37.77 3 0 17.60-999 ?-999 ?-999 ? C2A COA A 200 mASP.A 76 64.70 -3.39 40.02 64.00 -3.88 39.50 63.03 -2.89 41.62 62.29 -3.58 40.89 64.43 -2.57 41.17 64.46 -1.08 40.72 2 0 18.60-999 ?-999 ?-999 ? C2A COA A 200 mLYS.A 77 62.64 -2.38 42.77 63.34 -1.89 43.30 60.43 -1.60 42.32 60.89 -0.55 41.89 61.24 -2.57 43.15 61.02 -2.30 44.65 2 0 18.90-999 ?-999 ?-999 ? C2A COA A 200 mILE.A 78 59.15 -1.96 42.08 58.87 -2.85 42.43 57.05 -0.97 42.29 56.62 -1.98 42.80 58.28 -1.06 41.36 57.89 -1.70 39.96 3 0 16.25-999 ?-999 ?-999 ? C2A COA A 200 mGLU.A 79 56.57 0.24 42.43 57.06 0.92 41.89 54.13 0.81 42.45 53.05 0.42 42.85 55.40 0.53 43.31 55.71 1.80 44.15 2 0 17.86-999 ?-999 ?-999 ? C2A COA A 200 mVAL^A 80 54.28 1.55 41.36 55.22 1.83 41.17 53.36 1.47 39.10 54.43 1.76 38.59 53.14 1.89 40.54 52.93 3.39 40.49 3 0 14.82-999 ?-999 ?-999 ? O5P COA A 200 mVAL^A 81 52.40 0.75 38.49 51.68 0.40 39.09 51.57 1.50 36.41 50.33 1.36 36.65 52.49 0.51 37.03 52.15 -0.95 36.76 3 0 11.75-999 ?-999 ?-999 ? C2A COA A 200 mASP^A 82 52.08 2.45 35.62 53.06 2.29 35.43 51.12 3.20 33.59 52.09 3.10 32.87 51.30 3.61 35.06 52.16 4.85 35.27 2 0 9.44-999 ?-999 ?-999 ? O5P COA A 200 mLEU^A 83 49.86 2.98 33.19 49.15 3.28 33.84 49.24 3.30 30.78 48.35 4.12 30.97 49.58 2.34 31.88 48.40 1.36 32.06 3 0 7.58-999 ?-999 ?-999 ? C7P COA A 200 mPHE.A 84 50.04 3.30 29.69 50.84 2.70 29.78 49.68 3.14 27.27 50.31 3.35 26.22 49.78 4.12 28.49 50.92 5.09 28.22 3 0 -4.74-999 ?-999 ?-999 ? CEP COA A 200s mVAL.A 85 48.88 2.11 27.46 48.46 2.03 28.36 47.14 0.87 26.25 46.44 1.10 27.19 48.66 1.18 26.35 49.35 -0.20 26.55 3 0 -4.04-999 ?-999 ?-999 ? CEP COA A 200s mLYS~A 86 46.74 0.36 25.10 47.45 0.17 24.42 44.81 -0.85 25.93 45.44 -1.79 26.42 45.33 0.12 24.93 45.10 -0.35 23.49 2 0 -4.35-999 ?-999 ?-999 ? CEP COA A 200s mPRO~A 87 43.45 -0.76 26.18 42.91 -0.08 25.67 43.16 -3.10 27.13 43.54 -3.67 28.20 42.85 -1.64 27.14 41.31 -1.40 26.96 3 0 7.24-999 ?-999 ?-999 ? CEP COA A 200 mLYS~A 88 43.09 -3.77 25.92 42.85 -3.26 25.09 44.83 -5.56 26.27 45.12 -6.64 26.79 43.39 -5.20 25.95 42.97 -5.92 24.65 2 0 9.56-999 ?-999 ?-999 ? N6A COA A 200 mLEU~A 89 45.70 -4.55 26.09 45.31 -3.70 25.73 47.32 -4.72 27.94 48.25 -5.32 28.54 47.14 -4.80 26.44 48.02 -3.73 25.80 3 0 -6.08-999 ?-999 ?-999 ? N6A COA A 200s mTHR~A 90 46.39 -4.03 28.61 45.60 -3.68 28.10 46.51 -5.14 30.88 47.01 -5.18 32.01 46.65 -3.88 30.05 45.76 -2.77 30.73 2 0 8.51-999 ?-999 ?-999 ? N6A COA A 200 mMET~A 91 45.83 -6.18 30.39 45.49 -6.10 29.45 47.00 -7.98 31.53 47.35 -8.40 32.66 45.66 -7.34 31.26 44.71 -8.34 30.57 2 0 10.49-999 ?-999 ?-999 ? N6A COA A 200 mGLU~A 92 47.79 -8.05 30.49 47.40 -7.67 29.65 50.00 -7.85 31.59 50.71 -8.44 32.38 49.13 -8.63 30.62 49.77 -8.61 29.29 2 0 8.59-999 ?-999 ?-999 ? N6A COA A 200 mTYR~A 93 49.93 -6.55 31.49 49.26 -6.24 30.81 50.30 -5.68 33.77 51.13 -5.55 34.69 50.76 -5.67 32.32 50.86 -4.23 31.72 3 0 -8.12-999 ?-999 ?-999 ? N1A COA A 200s mVAL~A 94 49.00 -5.93 33.99 48.44 -6.03 33.17 48.96 -7.33 35.94 49.33 -7.43 37.15 48.48 -6.02 35.37 46.87 -5.94 35.36 3 0 11.78-999 ?-999 ?-999 ? N1A COA A 200 mGLU~A 95 48.99 -8.35 35.09 48.64 -8.18 34.17 51.01 -9.42 35.93 51.51 -9.94 36.93 49.53 -9.63 35.57 49.50 -10.75 34.51 2 0 13.00-999 ?-999 ?-999 ? N1A COA A 200 mGLN~A 96 51.75 -8.73 35.07 51.30 -8.41 34.24 53.25 -7.75 36.78 54.13 -8.08 37.66 53.17 -8.54 35.45 53.87 -7.73 34.32 2 0 11.61-999 ?-999 ?-999 ? N1A COA A 200 mALA~A 97 52.45 -6.70 36.90 51.88 -6.53 36.10 52.21 -6.69 39.39 52.87 -6.51 40.41 52.43 -5.86 38.11 51.33 -4.80 38.02 2 0 13.15-999 ?-999 ?-999 ? N1A COA A 200 mILE~A 98 51.27 -7.63 39.32 50.76 -7.68 38.46 52.24 -9.38 40.77 52.60 -9.52 41.96 51.04 -8.51 40.45 49.77 -9.42 40.10 3 0 16.34-999 ?-999 ?-999 ? N1A COA A 200 mLYS~A 99 52.81 -10.05 39.79 52.38 -9.92 38.89 55.16 -10.06 40.54 55.96 -10.58 41.28 53.96 -10.89 40.02 54.40 -11.64 38.76 2 0 16.72-999 ?-999 ?-999 ? N1A COA A 200 mLYS~A 100 55.25 -8.78 40.17 54.49 -8.46 39.61 56.14 -7.42 42.03 57.09 -6.95 42.67 56.38 -7.94 40.58 56.43 -6.73 39.62 2 0 16.23-999 ?-999 ?-999 ? N1A COA A 200 mGLY~A 101 54.90 -7.47 42.57 54.18 -7.87 42.00 54.41 -5.45 43.89 54.53 -4.76 44.87 54.69 -6.94 43.92-999.99-999.99-999.99 1 0 18.99-999 ?-999 ?-999 ? N1A COA A 200 mALA.A 102 53.96 -4.92 42.74 53.90 -5.52 41.94 52.41 -3.31 43.69 51.71 -4.28 44.03 53.60 -3.51 42.72 53.19 -3.07 41.28 2 0 17.24-999 ?-999 ?-999 ? C2A COA A 200 mLYS.A 103 52.22 -2.08 44.09 52.88 -1.45 43.69 50.00 -1.04 44.28 48.86 -1.08 44.80 51.19 -1.67 44.99 51.70 -0.60 45.98 2 0 19.47-999 ?-999 ?-999 ? O5P COA A 200 mVAL^A 104 50.26 -0.41 43.15 51.19 -0.50 42.80 49.24 0.13 41.02 50.29 0.11 40.46 49.24 0.36 42.52 49.53 1.85 42.67 3 0 15.91-999 ?-999 ?-999 ? O5P COA A 200 mVAL^A 105 48.03 0.01 40.41 47.26 -0.04 41.05 47.19 1.25 38.60 46.14 1.57 39.23 47.90 -0.05 38.91 47.07 -1.27 38.42 3 0 13.35-999 ?-999 ?-999 ? O5P COA A 200 mTRP^A 106 47.74 2.07 37.69 48.59 1.75 37.25 46.78 3.33 35.88 47.62 3.38 34.99 47.16 3.31 37.37 48.14 4.45 37.70 3 0 9.81-999 ?-999 ?-999 ? O5P COA A 200 mPHE^A 107 45.47 3.35 35.60 44.88 3.34 36.41 44.87 4.81 33.80 44.03 5.62 34.31 44.97 3.38 34.22 43.52 2.68 34.15 3 0 7.77-999 ?-999 ?-999 ? O5P COA A 200 mGLN.A 108 45.65 5.20 32.82 46.27 4.50 32.47 44.28 6.62 31.38 43.63 5.60 31.25 45.61 6.53 32.30 46.88 6.91 31.44 2 0 -4.02-999 ?-999 ?-999 ? O5P COA A 200s mTYR.A 109 44.06 7.77 30.83 44.80 8.43 31.01 42.79 7.01 28.85 43.81 6.85 28.19 42.80 7.98 30.02 42.66 9.38 29.43 3 0 -3.91-999 ?-999 ?-999 ? O5P COA A 200s mASN.A 110 41.63 6.43 28.60 40.90 6.70 29.23 42.16 4.17 27.59 42.27 3.51 26.55 41.43 5.48 27.50 41.71 6.15 26.15 2 0 4.92-999 ?-999 ?-999 ? OAP COA A 200 mTHR.A 111 42.63 3.75 28.80 42.52 4.38 29.57 42.55 1.51 29.80 42.93 0.35 29.93 43.26 2.48 28.98 44.74 2.66 29.60 2 0 5.31-999 ?-999 ?-999 ? CEP COA A 200 mTYR.A 112 41.44 1.95 30.47 41.13 2.88 30.30 40.21 -0.21 30.81 39.64 -0.22 29.71 40.76 1.05 31.38 39.64 1.90 32.06 3 0 9.04-999 ?-999 ?-999 ? CEP COA A 200 mASN~A 113 40.47 -1.31 31.52 41.00 -1.15 32.35 39.42 -3.27 32.38 40.10 -3.41 33.44 40.01 -2.63 31.11 41.16 -3.48 30.59 2 0 11.19-999 ?-999 ?-999 ? CEP COA A 200 mARG~A 114 38.13 -3.66 32.31 37.68 -3.51 31.43 38.09 -5.53 34.05 38.27 -5.68 35.26 37.50 -4.26 33.50 36.03 -4.50 33.17 2 0 14.95-999 ?-999 ?-999 ? CEP COA A 200 mGLU~A 115 38.35 -6.46 33.16 38.07 -6.21 32.23 40.35 -7.40 34.18 40.70 -7.96 35.24 38.96 -7.71 33.50 39.17 -8.45 32.18 2 0 16.45-999 ?-999 ?-999 ? CEP COA A 200 mALA~A 116 41.16 -6.55 33.54 40.81 -6.16 32.69 42.28 -5.74 35.59 43.00 -6.10 36.54 42.50 -6.30 34.15 43.31 -5.26 33.26 2 0 14.47-999 ?-999 ?-999 ? N6A COA A 200 mSER~A 117 41.34 -4.78 35.70 40.90 -4.53 34.84 40.65 -5.24 38.03 41.04 -5.15 39.21 41.01 -4.17 36.99 39.84 -3.22 36.82 2 0 15.55-999 ?-999 ?-999 ? CEP COA A 200 mLYS~A 118 39.92 -6.26 37.61 39.68 -6.20 36.64 40.70 -8.20 39.00 40.78 -8.51 40.19 39.51 -7.36 38.50 38.53 -8.31 37.76 2 0 19.05-999 ?-999 ?-999 ? CEP COA A 200 mLYS~A 119 41.61 -8.60 38.11 41.47 -8.36 37.15 43.50 -8.46 39.59 43.96 -8.98 40.61 42.73 -9.35 38.59 43.65 -9.82 37.45 2 0 18.30-999 ?-999 ?-999 ? N6A COA A 200 mALA~A 120 43.63 -7.14 39.33 43.19 -6.81 38.50 43.71 -6.23 41.65 44.37 -6.21 42.72 44.39 -6.31 40.27 44.57 -4.86 39.73 2 0 17.97-999 ?-999 ?-999 ? N1A COA A 200 mASP~A 121 42.38 -6.12 41.61 42.00 -6.12 40.68 41.73 -7.36 43.61 42.04 -7.37 44.80 41.59 -6.02 42.86 40.14 -5.68 42.46 2 0 20.88-999 ?-999 ?-999 ? O5P COA A 200 mGLU~A 122 41.58 -8.48 42.94 41.34 -8.35 41.98 43.09 -9.94 44.31 43.20 -10.55 45.38 41.74 -9.76 43.62 41.55 -10.92 42.64 2 0 22.96-999 ?-999 ?-999 ? N1A COA A 200 mALA~A 123 44.15 -9.40 43.69 43.94 -8.91 42.84 45.73 -8.48 45.32 46.75 -8.52 45.94 45.49 -9.52 44.23 46.53 -9.36 43.07 2 0 21.68-999 ?-999 ?-999 ? N1A COA A 200 mGLY.A 124 44.85 -7.51 45.50 44.07 -7.50 44.87 45.71 -5.23 46.20 46.02 -4.41 47.07 45.07 -6.54 46.55-999.99-999.99-999.99 1 0 23.21-999 ?-999 ?-999 ? N1A COA A 200 mLEU.A 125 45.87 -4.97 44.91 45.57 -5.67 44.27 45.49 -2.62 44.58 44.30 -2.87 44.50 46.48 -3.70 44.55 47.11 -3.81 43.15 3 0 19.80-999 ?-999 ?-999 ? O5P COA A 200 mILE^A 126 45.95 -1.42 44.77 46.93 -1.40 44.97 45.00 0.06 43.15 45.97 -0.03 42.35 45.18 -0.24 44.71 45.88 0.87 45.28 3 0 17.78-999 ?-999 ?-999 ? O5P COA A 200 mILE^A 127 43.78 0.40 42.74 43.08 0.42 43.45 43.13 2.13 41.19 42.19 2.68 41.90 43.53 0.69 41.33 42.41 -0.27 40.79 3 0 14.73-999 ?-999 ?-999 ? O5P COA A 200 mVAL^A 128 43.83 2.88 40.37 44.60 2.39 39.96 43.02 4.23 38.65 43.65 3.55 37.83 43.49 4.28 40.10 44.74 5.30 40.16 3 0 11.77-999 ?-999 ?-999 ? O5P COA A 200 mALA^A 129 41.90 4.88 38.33 41.48 5.40 39.07 40.89 6.08 36.41 40.42 6.93 37.18 41.40 4.79 36.93 40.32 3.74 36.85 2 0 9.78-999 ?-999 ?-999 ? O5P COA A 200 mASN.A 130 41.00 6.25 35.09 41.38 5.48 34.58 41.18 8.75 35.03 40.47 9.73 35.23 40.58 7.47 34.46 39.00 7.59 34.49 2 0 7.53-999 ?-999 ?-999 ? O5P COA A 200 mARG.A 131 42.50 8.74 35.37 42.98 7.86 35.29 44.54 9.95 35.21 45.01 8.90 34.73 43.13 9.97 35.83 43.35 9.97 37.37 2 0 6.52-999 ?-999 ?-999 ? O5P COA A 200 mCYH~A 132 45.17 11.10 35.23 44.66 11.87 35.61 47.45 11.48 35.94 47.14 12.35 36.75 46.49 11.20 34.74 46.58 12.35 33.78 2 0 -4.85-999 ?-999 ?-999 ? O5P COA A 200s mMET~A 133 48.65 10.81 35.99 48.87 10.17 35.26 49.95 12.56 37.17 50.21 13.17 38.25 49.50 11.14 37.15 50.74 10.19 37.10 2 0 7.57-999 ?-999 ?-999 ? S1P COA A 200 mMET~A 134 50.22 13.09 35.97 50.10 12.47 35.19 49.59 15.42 36.28 49.83 16.30 37.06 50.66 14.43 35.83 51.02 14.75 34.40 2 0 -5.93-999 ?-999 ?-999 ? S1P COA A 200s mARG~A 135 48.41 15.26 35.72 48.36 14.52 35.05 46.94 16.04 37.59 46.70 17.07 38.21 47.29 16.16 36.10 46.09 15.83 35.26 2 0 -5.40-999 ?-999 ?-999 ? S1P COA A 200s mGLU~A 136 46.88 14.84 38.15 47.06 14.09 37.51 47.74 15.34 40.40 47.49 15.98 41.44 46.58 14.70 39.59 46.41 13.24 39.96 2 0 8.76-999 ?-999 ?-999 ? S1P COA A 200 mHIS~A 137 49.00 15.18 39.94 49.12 14.63 39.11 49.88 17.35 40.64 50.07 18.03 41.66 50.08 15.80 40.67 51.43 15.51 39.97 3 0 10.20-999 ?-999 ?-999 ? S1P COA A 200 mGLU~A 138 49.58 17.90 39.46 49.51 17.28 38.67 48.20 19.77 40.28 48.30 20.74 41.00 49.37 19.33 39.38 49.09 19.78 37.94 2 0 9.83-999 ?-999 ?-999 ? S1P COA A 200 mARG~A 139 47.10 19.04 40.26 47.14 18.24 39.67 46.21 19.29 42.56 45.75 20.14 43.32 45.95 19.42 41.05 44.81 18.51 40.68 2 0 11.26-999 ?-999 ?-999 ? S1P COA A 200 mLEU~A 140 46.96 18.28 42.99 47.38 17.72 42.28 48.42 18.43 45.09 48.44 18.68 46.32 47.12 18.05 44.43 46.79 16.59 44.74 3 0 13.94-999 ?-999 ?-999 ? S1P COA A 200 mLEU~A 141 49.51 18.48 44.35 49.35 18.31 43.37 51.42 19.97 44.27 52.55 20.36 44.58 50.81 18.76 44.91 51.72 17.54 44.74 3 0 14.97-999 ?-999 ?-999 ? S1P COA A 200 mGLY~A 142 50.66 20.57 43.38 49.78 20.13 43.21 51.11 23.00 43.63 52.14 23.70 43.56 51.09 21.78 42.72-999.99-999.99-999.99 1 0 14.22-999 ?-999 ?-999 ? S1P COA A 200