HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-OCT-05 2ESH COMPND CONSERVED HYPOTHETICAL PROTEIN TM0937; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 243274; SOURCE 4 STRAIN: MSB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR Y.LIU,E.BOCHKAREVA,H.ZHENG,X.XU,B.NOCEK,V.LUNIN,A.EDWARD,E.F.PAI, AUTHOR 2 A.JOACHIMIAK,A.SAVCHENKO,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 3 (MCSG) HET CA A2000 1 SITE 1 AC1 2 THR A 67 HOH A2028 mARG.A 4 -24.84 51.43 27.29 -23.98 50.94 27.44 -26.30 53.43 27.99 -25.64 53.50 29.03 -26.14 52.19 27.06 -27.34 51.24 27.20 2 0 25.37-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 5 -27.18 54.38 27.62 -27.75 54.13 26.84 -28.24 55.91 29.53 -28.93 55.00 30.01 -27.27 55.68 28.34-999.99-999.99-999.99 1 0 24.52-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 6 -28.28 57.17 29.99 -27.60 57.77 29.56 -30.66 57.96 30.56 -30.87 58.63 29.51 -29.24 57.62 31.03-999.99-999.99-999.99 1 0 26.26-999 ?-999 ?-999 ? CA CA A2000 mARG~A 7 -31.63 57.54 31.40 -31.27 57.18 32.26 -33.88 58.35 32.23 -33.38 59.33 32.81 -33.05 57.59 31.12 -33.55 56.17 30.77 2 0 27.21-999 ?-999 ?-999 ? CA CA A2000 mGLY~A 8 -35.14 57.96 32.46 -35.47 57.20 31.90 -36.20 60.10 33.26 -36.06 60.65 32.15 -35.97 58.60 33.46-999.99-999.99-999.99 1 0 29.86-999 ?-999 ?-999 ? CA CA A2000 mPHE~A 9 -36.55 60.81 34.33 -36.63 60.29 35.19 -35.53 62.98 33.84 -35.60 63.92 33.06 -36.79 62.21 34.24 -37.30 62.68 35.58 3 0 29.94-999 ?-999 ?-999 ? CA CA A2000 mARG~A 10 -34.38 62.57 34.38 -34.51 61.75 34.94 -32.69 63.25 32.68 -32.25 64.30 32.14 -33.07 63.23 34.20 -32.02 62.42 35.02 2 0 28.47-999 ?-999 ?-999 ? CA CA A2000 mGLY~A 11 -32.85 62.07 32.06 -32.96 61.31 32.70 -33.68 62.90 29.82 -33.16 63.54 28.93 -32.87 61.86 30.60-999.99-999.99-999.99 1 0 25.33-999 ?-999 ?-999 ? CA CA A2000 mTRP~A 12 -34.91 63.17 30.27 -35.15 62.72 31.13 -35.33 65.47 29.80 -35.30 66.30 28.93 -35.81 64.04 29.59 -37.22 63.83 30.17 3 0 25.05-999 ?-999 ?-999 ? CA CA A2000 mTRP~A 13 -34.93 65.72 31.02 -34.95 64.93 31.63 -33.16 67.40 30.74 -32.93 68.56 30.36 -34.50 67.05 31.40 -34.39 67.08 32.92 3 0 25.89-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 14 -32.27 66.41 30.57 -32.52 65.54 31.00 -31.28 66.95 28.27 -30.87 67.99 27.74 -31.03 66.65 29.81 -30.04 65.46 30.02 3 0 23.32-999 ?-999 ?-999 ? CA CA A2000 mALA~A 15 -31.99 66.06 27.58 -32.26 65.27 28.13 -32.98 67.57 25.91 -32.65 68.24 24.94 -32.33 66.23 26.14 -33.23 65.12 25.67 2 0 20.26-999 ?-999 ?-999 ? CA CA A2000 mSER~A 16 -33.92 67.94 26.80 -34.01 67.32 27.58 -33.85 70.30 26.73 -33.97 71.21 25.94 -34.73 69.12 26.65 -35.83 69.19 27.72 2 0 21.63-999 ?-999 ?-999 ? CA CA A2000 mTHR~A 17 -32.94 70.29 27.71 -32.88 69.44 28.23 -31.02 71.61 26.88 -30.68 72.73 26.50 -32.10 71.46 27.95 -31.49 71.43 29.37 2 0 22.06-999 ?-999 ?-999 ? CA CA A2000 mILE~A 18 -30.48 70.48 26.42 -30.76 69.65 26.91 -30.17 70.97 24.02 -29.50 71.80 23.33 -29.57 70.47 25.32 -28.90 69.14 25.07 3 0 18.71-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 19 -31.39 70.55 23.71 -31.77 69.89 24.36 -32.19 72.54 22.52 -31.87 73.22 21.57 -32.08 71.04 22.50 -33.50 70.43 22.34 3 0 16.98-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 20 -32.65 73.04 23.65 -32.87 72.36 24.35 -31.52 75.17 23.68 -31.50 76.22 23.02 -32.80 74.45 23.83 -33.29 74.75 25.24 3 0 19.31-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 21 -30.47 74.67 24.36 -30.62 73.81 24.83 -28.74 75.44 22.90 -28.30 76.49 22.38 -29.22 75.40 24.35 -28.19 74.71 25.28 3 0 19.00-999 ?-999 ?-999 ? CA CA A2000 mVAL~A 22 -28.86 74.31 22.20 -29.12 73.49 22.70 -29.50 75.37 19.94 -28.95 76.04 19.08 -28.62 74.39 20.77 -28.60 73.07 20.12 3 0 15.27-999 ?-999 ?-999 ? CA CA A2000 mALA~A 23 -30.84 75.41 20.17 -31.18 74.73 20.82 -31.22 77.79 19.74 -31.30 78.65 18.85 -31.71 76.38 19.52 -33.21 76.27 20.01 2 0 16.17-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 24 -30.77 78.07 20.95 -30.77 77.29 21.58 -29.02 79.80 20.57 -28.87 80.93 20.12 -30.33 79.40 21.31 -30.13 79.41 22.83 2 0 18.74-999 ?-999 ?-999 ? CA CA A2000 mLYS~A 25 -28.08 78.85 20.43 -28.27 77.97 20.86 -26.26 77.83 19.16 -25.76 77.04 19.94 -26.86 79.13 19.68 -25.83 79.81 20.57 2 0 16.68-999 ?-999 ?-999 ? CA CA A2000 mPRO.A 26 -26.26 77.64 17.81 -26.68 78.38 17.27 -24.21 76.28 17.73 -23.56 77.31 17.93 -25.67 76.41 17.23 -25.71 76.70 15.75 3 0 12.96-999 ?-999 ?-999 ? CA CA A2000 mSER.A 27 -23.74 75.04 18.03 -24.35 74.28 17.80 -21.98 73.44 18.69 -22.68 72.53 18.26 -22.44 74.87 18.64 -22.40 75.47 20.07 2 0 13.47-999 ?-999 ?-999 ? CA CA A2000 mHIS~A 28 -20.77 73.25 19.19 -20.31 74.09 19.48 -20.34 71.31 20.73 -20.56 72.05 21.64 -20.20 71.89 19.30 -18.76 71.87 18.82 3 0 13.49-999 ?-999 ?-999 ? CA CA A2000 mGLY~A 29 -20.29 69.99 20.87 -20.39 69.50 20.00 -19.38 70.00 23.22 -19.96 70.20 24.28 -20.12 69.30 22.10-999.99-999.99-999.99 1 0 15.65-999 ?-999 ?-999 ? CA CA A2000 mTYR~A 30 -18.12 70.42 22.99 -17.81 70.30 22.05 -17.87 72.30 24.67 -17.95 72.44 25.90 -17.31 71.02 24.06 -15.83 71.20 23.65 3 0 18.70-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 31 -18.25 73.25 23.82 -18.13 73.02 22.85 -20.18 74.24 24.97 -20.52 74.88 25.96 -18.80 74.51 24.28 -18.93 75.48 23.14 2 0 19.20-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 32 -20.96 73.28 24.44 -20.57 72.78 23.67 -22.17 72.63 26.45 -23.02 73.03 27.25 -22.28 73.02 25.00 -23.06 71.97 24.18 3 0 18.57-999 ?-999 ?-999 ? CA CA A2000 mALA~A 33 -21.12 71.89 26.78 -20.52 71.70 26.00 -20.71 72.54 29.08 -21.16 72.45 30.20 -20.84 71.41 28.11 -19.57 70.60 28.10 2 0 21.49-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 34 -20.06 73.61 28.65 -19.73 73.55 27.71 -21.11 75.46 29.86 -21.29 75.90 31.00 -19.84 74.77 29.50 -18.93 75.79 28.81 2 0 23.76-999 ?-999 ?-999 ? CA CA A2000 mARG~A 35 -21.97 75.61 28.86 -21.65 75.28 27.97 -24.21 75.32 29.82 -25.14 75.77 30.46 -23.27 76.24 29.06 -23.88 76.58 27.71 2 0 23.29-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 36 -23.98 74.02 29.70 -23.25 73.79 29.05 -24.31 72.97 31.92 -25.07 72.51 32.72 -24.72 73.05 30.46 -24.50 71.68 29.89 3 0 23.68-999 ?-999 ?-999 ? CA CA A2000 mALA~A 37 -23.09 73.42 32.24 -22.61 73.86 31.49 -23.16 74.34 34.43 -23.75 74.00 35.49 -22.53 73.28 33.56 -21.04 73.47 33.50 2 0 26.88-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 38 -23.00 75.60 33.97 -22.36 75.63 33.20 -25.21 76.76 34.48 -25.89 77.63 35.04 -23.67 76.82 34.51 -23.22 78.08 33.75 2 0 28.60-999 ?-999 ?-999 ? CA CA A2000 mPHE.A 39 -25.74 75.74 33.80 -25.10 75.31 33.17 -27.35 74.66 35.37 -28.13 75.19 36.19 -27.14 75.30 33.97 -27.48 74.28 32.89 3 0 27.70-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 40 -26.68 73.53 35.63 -26.15 73.17 34.86 -28.12 72.41 37.33 -28.81 71.71 36.52 -26.72 72.88 36.93-999.99-999.99-999.99 1 0 30.05-999 ?-999 ?-999 ? CA CA A2000 mILE.A 41 -28.55 72.80 38.55 -27.94 73.47 38.98 -30.51 73.07 40.34 -29.99 73.20 41.48 -29.81 72.29 39.20 -29.66 70.85 39.76 3 0 32.51-999 ?-999 ?-999 ? CA CA A2000 mGLU.A 42 -31.72 73.53 40.05 -31.94 73.60 39.08 -33.60 72.71 41.43 -34.60 72.94 42.09 -32.63 73.88 41.12 -33.38 75.18 40.77 2 0 35.12-999 ?-999 ?-999 ? CA CA A2000 mILE.A 43 -33.24 71.49 40.98 -32.28 71.50 40.69 -33.46 69.13 41.70 -32.42 68.63 41.33 -34.07 70.26 40.88 -34.18 69.69 39.38 3 0 34.82-999 ?-999 ?-999 ? CA CA A2000 mPRO.A 44 -34.10 68.72 42.82 -34.98 69.18 43.00 -33.15 66.36 42.99 -33.96 65.78 42.23 -33.54 67.67 43.70 -34.67 67.43 44.71 3 0 37.36-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 45 -31.90 65.94 43.19 -31.31 66.59 43.67 -30.87 64.53 41.35 -30.36 63.44 41.01 -31.46 64.64 42.75-999.99-999.99-999.99 1 0 36.17-999 ?-999 ?-999 ? CA CA A2000 mILE.A 46 -30.92 65.58 40.53 -31.21 66.45 40.94 -29.06 65.55 38.76 -28.48 64.66 38.07 -30.55 65.39 39.14 -31.54 66.02 38.09 3 0 32.40-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 47 -28.44 66.65 39.19 -29.05 67.29 39.67 -26.86 67.49 37.58 -27.01 68.74 37.41 -27.00 66.87 38.95-999.99-999.99-999.99 1 0 31.72-999 ?-999 ?-999 ? CA CA A2000 mHIS.A 48 -26.44 66.69 36.59 -27.03 66.68 35.79 -24.19 66.89 36.02 -23.62 67.75 36.77 -25.21 65.91 36.69 -25.30 64.57 35.96 3 0 29.46-999 ?-999 ?-999 ? CA CA A2000 mMET.A 49 -24.07 66.90 34.66 -23.16 67.20 34.36 -24.75 65.29 32.79 -25.18 64.13 33.07 -25.14 66.54 33.71 -25.63 67.81 32.94 2 0 26.45-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 50 -23.96 65.56 31.72 -24.02 66.49 31.34 -23.68 63.83 29.97 -24.78 64.27 29.64 -23.06 64.38 31.22-999.99-999.99-999.99 1 0 24.28-999 ?-999 ?-999 ? CA CA A2000 mASN~A 51 -23.06 62.78 29.38 -22.70 62.13 30.05 -23.69 63.52 26.91 -24.59 63.04 26.17 -22.91 62.62 27.89 -22.88 61.14 27.42 2 0 21.40-999 ?-999 ?-999 ? CA CA A2000 mILE~A 52 -23.27 64.79 26.88 -22.67 65.01 27.65 -23.47 65.14 24.48 -24.47 64.94 23.80 -23.63 65.76 25.85 -22.77 67.01 26.04 3 0 18.74-999 ?-999 ?-999 ? CA CA A2000 mTYR~A 53 -22.24 64.78 24.08 -21.51 65.01 24.71 -23.08 63.02 22.38 -23.53 62.98 21.24 -22.05 64.07 22.78 -20.64 63.50 22.58 3 0 16.26-999 ?-999 ?-999 ? CA CA A2000 mARG~A 54 -23.47 62.17 23.32 -23.13 62.35 24.24 -25.81 61.54 22.71 -26.48 61.11 21.72 -24.33 61.05 22.97 -24.23 59.94 24.02 2 0 17.18-999 ?-999 ?-999 ? CA CA A2000 mVAL~A 55 -26.27 62.48 23.53 -25.64 62.81 24.23 -27.73 63.91 22.15 -28.77 63.95 21.48 -27.64 62.94 23.35 -28.38 63.51 24.65 3 0 17.04-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 56 -26.66 64.68 21.90 -26.01 64.80 22.65 -26.58 64.24 19.42 -27.41 64.42 18.54 -26.48 65.27 20.58 -25.28 66.16 20.47 3 0 13.63-999 ?-999 ?-999 ? CA CA A2000 mALA~A 57 -25.77 63.19 19.39 -25.09 63.14 20.12 -27.38 61.66 18.17 -27.93 61.37 17.03 -25.93 62.22 18.30 -24.89 61.04 18.45 2 0 12.48-999 ?-999 ?-999 ? CA CA A2000 mASP~A 58 -27.98 61.43 19.35 -27.37 61.60 20.12 -30.42 61.99 18.92 -31.36 61.62 18.27 -29.38 60.97 19.49 -29.65 60.71 21.00 2 0 14.74-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 59 -30.23 63.26 19.16 -29.37 63.48 19.63 -31.03 64.46 17.25 -32.05 64.63 16.50 -31.19 64.25 18.77 -30.93 65.55 19.52 3 0 13.54-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 60 -29.76 64.39 16.79 -29.08 64.40 17.52 -29.97 63.15 14.60 -30.60 63.35 13.60 -29.40 64.31 15.36 -27.88 64.37 15.14 2 0 9.88-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 61 -29.72 61.92 15.06 -29.08 61.86 15.82 -31.91 60.94 14.34 -32.51 60.38 13.39 -30.37 60.79 14.48 -30.09 59.54 15.27 2 0 11.51-999 ?-999 ?-999 ? CA CA A2000 mSER~A 62 -32.53 61.64 15.30 -31.92 62.10 15.94 -34.50 62.82 14.50 -35.72 62.91 14.27 -33.99 61.70 15.36 -34.45 61.78 16.84 2 0 13.60-999 ?-999 ?-999 ? CA CA A2000 mGLY.A 63 -33.58 63.68 14.03 -32.68 63.53 14.44 -34.22 66.05 13.66 -34.74 66.99 13.00 -33.85 64.72 13.01-999.99-999.99-999.99 1 0 10.99-999 ?-999 ?-999 ? CA CA A2000 mPHE.A 64 -33.89 66.18 14.95 -33.41 65.40 15.35 -33.11 68.40 15.59 -33.22 69.57 15.98 -34.24 67.42 15.69 -34.54 67.08 17.17 3 0 12.43-999 ?-999 ?-999 ? CA CA A2000 mLEU^A 65 -32.00 67.91 15.08 -32.08 66.95 14.79 -30.15 68.32 13.64 -30.20 67.11 13.26 -30.78 68.71 14.96 -29.75 68.32 16.08 3 0 9.56-999 ?-999 ?-999 ? CA CA A2000 mSER^A 66 -29.57 69.31 12.96 -29.79 70.22 13.30 -27.21 69.36 12.18 -26.96 70.06 13.15 -28.66 69.01 11.81 -29.05 69.78 10.57 2 0 5.82-999 ?-999 ?-999 ? CA CA A2000 mTHR^A 67 -26.26 68.99 11.32 -26.61 68.65 10.45 -24.02 69.68 10.50 -24.30 69.43 9.38 -24.84 69.10 11.68 -24.54 67.71 12.12 2 0 -4.49-999 ?-999 ?-999 ? CA CA A2000s mGLU^A 68 -23.01 70.47 10.77 -22.94 70.77 11.72 -20.74 71.10 10.40 -20.69 71.73 11.40 -22.09 70.87 9.73 -22.61 72.15 9.06 2 0 4.75-999 ?-999 ?-999 ? CA CA A2000 mTRP^A 69 -19.65 70.57 9.85 -19.84 70.00 9.05 -17.79 72.24 10.17 -17.89 72.70 9.07 -18.29 70.83 10.38 -17.32 69.85 9.76 3 0 7.95-999 ?-999 ?-999 ? CA CA A2000 mASP^A 70 -17.34 72.95 11.22 -17.61 72.57 12.10 -15.07 73.68 10.94 -14.50 73.09 11.85 -16.55 74.14 11.11 -16.68 74.92 12.40 2 0 11.13-999 ?-999 ?-999 ? CA CA A2000 mTHR.A 71 -14.52 73.85 9.73 -15.13 74.33 9.10 -12.20 74.57 9.53 -11.04 74.38 9.36 -13.17 73.38 9.36 -13.14 72.84 7.90 2 0 13.20-999 ?-999 ?-999 ? CA CA A2000 mTHR.A 72 -12.68 75.76 9.94 -13.65 75.77 10.19 -10.90 76.91 11.24 -9.90 77.72 11.38 -11.77 76.95 10.01 -12.52 78.35 10.00 2 0 16.22-999 ?-999 ?-999 ? CA CA A2000 mVAL.A 73 -11.27 76.03 12.16 -12.08 75.49 11.94 -9.81 74.56 13.39 -10.11 73.71 12.59 -10.49 75.91 13.39 -11.42 75.98 14.65 3 0 17.64-999 ?-999 ?-999 ? CA CA A2000 mSER.A 74 -8.94 74.39 14.37 -8.88 75.14 15.02 -8.05 72.80 15.95 -7.50 73.54 16.79 -8.16 73.22 14.49 -6.77 73.56 13.94 2 0 19.09-999 ?-999 ?-999 ? CA CA A2000 mPRO.A 75 -8.57 71.60 16.28 -8.57 71.37 17.26 -10.53 71.21 14.89 -11.10 72.10 15.58 -9.10 70.71 15.31 -9.18 69.38 16.07 3 0 18.07-999 ?-999 ?-999 ? CA CA A2000 mPRO.A 76 -11.07 70.64 13.76 -10.49 69.97 13.30 -13.45 70.59 14.31 -13.26 69.58 15.01 -12.43 71.00 13.26 -12.60 70.11 12.00 3 0 14.29-999 ?-999 ?-999 ? CA CA A2000 mARG^A 77 -14.54 71.36 14.40 -14.53 72.11 13.74 -16.95 70.99 14.60 -17.27 71.81 13.75 -15.64 71.16 15.35 -15.77 72.40 16.25 2 0 12.78-999 ?-999 ?-999 ? CA CA A2000 mLYS^A 78 -17.70 69.95 14.92 -17.29 69.38 15.63 -20.07 70.47 14.97 -20.33 70.34 16.17 -18.99 69.62 14.33 -19.26 68.16 14.56 2 0 9.42-999 ?-999 ?-999 ? CA CA A2000 mILE^A 79 -20.65 71.43 14.21 -20.29 71.43 13.28 -23.15 71.81 14.59 -23.64 71.41 13.52 -21.72 72.38 14.70 -21.63 73.68 14.00 3 0 9.19-999 ?-999 ?-999 ? CA CA A2000 mTYR^A 80 -23.84 71.74 15.71 -23.29 72.03 16.50 -26.17 72.45 15.68 -25.90 73.51 16.22 -25.25 71.28 15.79 -25.53 70.55 17.11 3 0 9.06-999 ?-999 ?-999 ? CA CA A2000 mARG^A 81 -27.28 72.26 14.96 -27.39 71.33 14.61 -29.65 72.74 14.80 -29.85 71.58 14.34 -28.25 73.35 14.73 -27.97 73.99 13.34 2 0 9.63-999 ?-999 ?-999 ? CA CA A2000 mILE^A 82 -30.61 73.46 15.36 -30.29 74.34 15.70 -32.69 72.88 14.02 -32.52 73.81 13.23 -32.01 72.91 15.43 -32.93 73.61 16.54 3 0 11.71-999 ?-999 ?-999 ? CA CA A2000 mTHR~A 83 -33.43 71.79 13.72 -33.38 71.04 14.37 -35.73 72.09 12.93 -36.07 72.13 14.08 -34.24 71.70 12.57 -34.27 70.27 12.10 2 0 11.16-999 ?-999 ?-999 ? CA CA A2000 mPRO~A 84 -36.64 72.36 11.88 -36.26 72.33 10.95 -38.78 71.52 12.88 -39.71 71.73 13.66 -38.07 72.68 12.15 -38.70 72.86 10.72 3 0 14.60-999 ?-999 ?-999 ? CA CA A2000 mGLN~A 85 -38.37 70.31 12.64 -37.74 70.23 11.86 -38.51 69.30 15.02 -39.32 68.90 15.87 -38.86 69.21 13.50 -38.50 67.83 12.95 2 0 15.14-999 ?-999 ?-999 ? CA CA A2000 mGLY~A 86 -37.32 69.85 15.28 -36.85 70.24 14.49 -37.43 71.00 17.26 -37.71 70.87 18.46 -36.71 69.92 16.54-999.99-999.99-999.99 1 0 14.96-999 ?-999 ?-999 ? CA CA A2000 mLYS~A 87 -37.79 72.04 16.53 -37.43 72.06 15.60 -40.05 72.56 17.50 -40.58 72.97 18.53 -38.64 73.05 17.12 -38.74 74.31 16.25 2 0 17.45-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 88 -40.61 71.67 16.72 -40.07 71.51 15.90 -41.79 70.10 18.29 -42.67 70.05 19.13 -41.91 71.01 17.06 -42.49 70.24 15.83 3 0 19.66-999 ?-999 ?-999 ? CA CA A2000 mTYR~A 89 -40.67 69.43 18.42 -40.04 69.57 17.66 -40.26 69.48 20.80 -40.85 69.21 21.90 -40.39 68.59 19.60 -39.15 67.78 19.37 3 0 19.64-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 90 -39.65 70.63 20.57 -39.27 70.72 19.65 -40.87 72.22 22.15 -40.97 72.53 23.37 -39.56 71.64 21.62 -38.66 72.79 21.16 3 0 20.66-999 ?-999 ?-999 ? CA CA A2000 mARG~A 91 -41.81 72.52 21.26 -41.51 72.44 20.30 -43.83 71.81 22.51 -44.54 72.08 23.43 -43.16 72.93 21.67 -44.05 73.20 20.46 2 0 23.58-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 92 -43.64 70.56 22.17 -43.16 70.44 21.30 -43.47 69.49 24.42 -44.13 69.18 25.36 -44.11 69.47 23.01 -43.78 68.14 22.37 2 0 24.71-999 ?-999 ?-999 ? CA CA A2000 mILE~A 93 -42.20 69.87 24.55 -41.77 70.08 23.67 -42.06 71.15 26.59 -42.30 71.11 27.81 -41.51 69.97 25.85 -40.01 70.21 25.61 3 0 24.84-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 94 -42.32 72.22 25.84 -42.15 72.12 24.86 -44.19 73.11 27.03 -44.45 73.41 28.16 -42.81 73.43 26.41 -42.86 74.55 25.35 3 0 26.60-999 ?-999 ?-999 ? CA CA A2000 mARG~A 95 -45.07 72.43 26.32 -44.76 72.10 25.43 -46.28 71.39 28.14 -47.06 71.59 29.10 -46.38 72.22 26.85 -47.21 71.47 25.80 2 0 29.20-999 ?-999 ?-999 ? CA CA A2000 mSER~A 96 -45.39 70.40 28.15 -44.89 70.29 27.28 -44.57 70.32 30.55 -44.83 69.96 31.69 -45.18 69.58 29.35 -44.24 68.47 29.04 2 0 29.86-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 97 -43.72 71.30 30.30 -43.47 71.39 29.33 -44.35 72.93 32.00 -44.35 73.08 33.24 -43.20 72.18 31.34 -42.12 73.14 30.81 3 0 30.37-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 98 -45.31 73.43 31.19 -45.12 73.34 30.21 -47.35 73.05 32.58 -47.79 73.37 33.68 -46.52 74.06 31.76 -47.34 74.79 30.69 2 0 33.05-999 ?-999 ?-999 ? CA CA A2000 mASP~A 99 -47.49 71.82 32.08 -47.15 71.72 31.15 -47.41 70.62 34.23 -48.04 70.60 35.27 -48.12 70.74 32.86 -47.96 69.39 32.12 2 0 34.50-999 ?-999 ?-999 ? CA CA A2000 mMET~A 100 -46.09 70.56 34.19 -45.70 70.72 33.29 -45.48 71.43 36.31 -45.71 71.22 37.46 -45.30 70.29 35.39 -43.80 70.18 35.09 2 0 34.67-999 ?-999 ?-999 ? CA CA A2000 mLYS~A 101 -45.43 72.64 35.78 -45.33 72.67 34.79 -46.86 73.90 37.31 -46.93 74.31 38.46 -45.50 73.81 36.61 -45.08 75.11 35.84 2 0 36.17-999 ?-999 ?-999 ? CA CA A2000 mARG~A 102 -47.94 73.51 36.63 -47.72 73.19 35.70 -49.37 72.50 38.27 -49.88 72.72 39.33 -49.29 73.55 37.19 -50.33 73.23 36.10 2 0 38.84-999 ?-999 ?-999 ? CA CA A2000 mARG~A 103 -48.78 71.36 38.04 -48.35 71.28 37.14 -48.06 70.78 40.39 -48.52 70.54 41.51 -48.81 70.33 39.08 -48.25 69.07 38.50 2 0 39.72-999 ?-999 ?-999 ? CA CA A2000 mILE~A 104 -46.92 71.47 40.23 -46.67 71.63 39.27 -46.94 72.95 42.14 -46.90 72.97 43.39 -46.11 71.95 41.35 -44.74 72.59 40.83 3 0 40.19-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 105 -47.68 73.80 41.42 -47.65 73.68 40.43 -49.64 74.23 42.82 -50.06 74.81 43.79 -48.47 74.81 42.11 -48.98 75.91 41.18 2 0 42.46-999 ?-999 ?-999 ? CA CA A2000 mTHR~A 106 -50.17 73.08 42.37 -49.78 72.72 41.53 -50.71 71.90 44.44 -51.34 72.01 45.44 -51.28 72.47 43.14 -52.08 71.34 42.41 2 0 44.60-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 107 -49.53 71.32 44.42 -49.17 71.21 43.50 -48.48 72.01 46.57 -48.74 71.92 47.72 -48.84 70.88 45.65 -47.50 70.28 45.29 3 0 45.18-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 108 -47.86 73.06 46.04 -47.67 72.96 45.06 -48.67 74.68 47.65 -48.47 74.92 48.81 -47.50 74.24 46.82 -47.01 75.37 45.97 2 0 45.84-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 109 -49.88 74.68 47.10 -49.91 74.30 46.18 -51.51 74.21 48.82 -51.92 74.54 49.95 -51.05 75.22 47.81 -52.20 75.60 46.85 2 0 48.63-999 ?-999 ?-999 ? CA CA A2000 mARG~A 110 -51.40 72.96 48.44 -50.96 72.80 47.56 -51.08 71.93 50.57 -51.62 71.76 51.67 -51.91 71.92 49.32 -51.88 70.59 48.60 2 0 49.99-999 ?-999 ?-999 ? CA CA A2000 mILE~A 111 -49.80 72.20 50.40 -49.55 72.40 49.46 -49.04 73.37 52.41 -48.83 73.26 53.63 -48.84 72.19 51.49 -47.38 72.22 50.99 3 0 50.33-999 ?-999 ?-999 ? CA CA A2000 mLYS~A 112 -49.32 74.54 51.81 -49.38 74.49 50.81 -50.75 75.57 53.41 -50.74 75.93 54.54 -49.52 75.77 52.57 -49.73 76.97 51.65 2 0 52.00-999 ?-999 ?-999 ? CA CA A2000 mARG~A 113 -51.78 74.93 52.86 -51.67 74.68 51.90 -52.72 73.82 54.90 -53.25 74.14 55.94 -52.98 74.66 53.66 -54.15 74.12 52.82 2 0 54.49-999 ?-999 ?-999 ? CA CA A2000 mVAL~A 114 -51.87 72.79 54.83 -51.47 72.62 53.93 -50.59 72.62 56.95 -50.53 72.21 58.11 -51.57 71.99 56.01 -51.10 70.50 55.76 3 0 55.57-999 ?-999 ?-999 ? CA CA A2000 mLEU~A 115 -49.83 73.60 56.45 -49.92 73.73 55.47 -49.68 75.53 58.06 -49.26 75.87 59.12 -48.94 74.40 57.30 -47.74 74.98 56.51 3 0 55.74-999 ?-999 ?-999 ? CA CA A2000 mGLN~A 116 -50.77 76.08 57.48 -50.92 75.72 56.56 -52.69 76.43 59.05 -53.37 77.13 59.80 -51.66 77.08 58.11 -52.41 77.91 57.06 2 0 58.03-999 ?-999 ?-999 ? CA CA A2000 mGLU~A 117 -52.85 75.11 58.95 -52.44 74.74 58.11 -52.79 74.17 61.27 -53.34 74.59 62.32 -53.55 74.26 59.96 -53.75 72.83 59.46 2 0 60.17-999 ?-999 ?-999 ? CA CA A2000