HEADER UNKNOWN FUNCTION 09-JUL-09 3I7T COMPND PUTATIVE UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 3-142; COMPND 5 SYNONYM: RV2704; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; SOURCE 3 ORGANISM_TAXID: 83332; SOURCE 4 STRAIN: H37RV; SOURCE 5 GENE: RV2704; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-22B AUTHOR K.G.THAKUR,B.GOPAL HET IOD A 151 1 HET IOD A 152 1 HET IOD A 153 1 HET IOD A 154 1 HET IOD A 155 1 HET IOD A 156 1 HET IOD A 157 1 SITE 1 AC1 1 ARG A 22 SITE 1 AC2 1 HOH A 176 SITE 1 AC3 3 GLY A 27 PRO A 28 IOD A 157 SITE 1 AC4 2 GLU A 13 ARG A 81 SITE 1 AC5 1 HOH A 176 SITE 1 AC6 3 GLU A 13 GLY A 27 IOD A 154 mSER.A 4 -11.76 23.64 41.38 -12.50 23.08 41.77 -9.37 23.68 40.49 -8.78 23.05 41.37 -10.65 24.47 40.79 -10.34 25.65 41.70 2 0 20.37-999 ?-999 ?-999 ? I IOD A 153 mARG^A 5 -8.94 23.74 39.23 -9.41 24.43 38.67 -6.55 23.61 38.52 -6.50 24.68 37.94 -7.88 22.88 38.72 -8.34 22.24 37.40 2 0 17.62-999 ?-999 ?-999 ? I IOD A 152 mTHR^A 6 -5.47 23.00 39.00 -5.64 22.16 39.51 -3.24 22.50 38.17 -3.38 21.31 38.45 -4.14 23.56 38.79 -3.50 24.09 40.11 2 0 14.28-999 ?-999 ?-999 ? I IOD A 152 mMET^A 7 -2.32 22.96 37.32 -2.28 23.95 37.25 -0.02 22.51 36.60 0.28 23.71 36.65 -1.47 22.06 36.57 -1.95 21.98 35.13 2 0 11.19-999 ?-999 ?-999 ? I IOD A 152 mVAL^A 8 0.87 21.53 36.58 0.47 20.61 36.51 2.91 21.29 35.34 2.66 20.18 34.89 2.29 21.77 36.65 2.92 21.01 37.84 3 0 7.61-999 ?-999 ?-999 ? I IOD A 152 mSER.A 9 3.73 22.16 34.75 3.81 23.03 35.22 5.95 21.98 33.78 6.35 22.77 34.63 4.45 21.84 33.52 4.05 22.82 32.43 2 0 6.86-999 ?-999 ?-999 ? I IOD A 152 mSER.A 10 6.77 21.20 33.08 6.32 20.56 32.46 8.82 22.09 32.06 10.02 22.39 32.04 8.22 21.32 33.24 8.87 19.95 33.35 2 0 5.00-999 ?-999 ?-999 ? I IOD A 152 mGLY.A 11 7.99 22.41 31.08 7.04 22.12 31.22 9.09 22.26 28.83 9.61 22.76 27.84 8.45 23.14 29.90-999.99-999.99-999.99 1 0 7.20-999 ?-999 ?-999 ? I IOD A 157 mSER~A 12 9.05 20.94 29.02 8.56 20.65 29.84 8.95 19.99 26.75 7.75 20.28 26.69 9.70 20.04 28.09 9.76 18.63 28.67 2 0 4.01-999 ?-999 ?-999 ? I IOD A 157 mGLU~A 13 9.67 19.63 25.69 10.64 19.47 25.89 8.05 18.34 24.34 7.04 18.41 23.64 9.08 19.46 24.36 10.16 19.12 23.34 2 0 4.08-999 ?-999 ?-999 ? I IOD A 157s mPHE~A 14 8.35 17.28 25.09 9.21 17.37 25.59 6.10 16.46 25.67 5.09 15.98 25.15 7.50 16.11 25.16 8.18 15.05 26.03 3 0 4.25-999 ?-999 ?-999 ? I IOD A 155 mGLU~A 15 6.03 17.32 26.67 6.90 17.62 27.05 4.03 18.53 26.06 2.81 18.44 25.88 4.73 17.76 27.16 4.89 18.60 28.42 2 0 7.74-999 ?-999 ?-999 ? I IOD A 155 mSER~A 16 4.86 19.23 25.29 5.81 19.20 25.63 3.90 19.07 23.00 2.78 19.27 22.53 4.48 19.97 24.10 5.73 20.69 23.55 2 0 7.10-999 ?-999 ?-999 ? I IOD A 155 mALA~A 17 4.68 18.07 22.61 5.55 18.00 23.10 3.04 16.32 21.89 2.22 16.04 21.01 4.26 17.17 21.55 5.44 16.30 21.09 2 0 5.72-999 ?-999 ?-999 ? I IOD A 155 mVAL~A 18 2.90 15.90 23.15 3.58 16.29 23.78 0.63 15.64 24.21 -0.47 15.07 24.22 1.85 14.97 23.54 2.42 13.84 24.45 3 0 8.33-999 ?-999 ?-999 ? I IOD A 155 mGLY~A 19 0.82 16.84 24.75 1.76 17.17 24.67 -0.65 16.99 26.72 -1.74 16.41 26.85 -0.26 17.60 25.38-999.99-999.99-999.99 1 0 10.91-999 ?-999 ?-999 ? I IOD A 155 mTYR.A 20 0.24 17.10 27.70 1.07 17.60 27.43 0.77 17.38 30.08 1.67 18.14 29.74 0.02 16.53 29.04 0.45 15.05 29.10 3 0 12.34-999 ?-999 ?-999 ? I IOD A 155 mSER.A 21 0.39 17.23 31.35 -0.36 16.58 31.48 1.85 17.02 33.31 1.61 15.83 33.37 1.02 17.96 32.45 -0.05 18.60 33.35 2 0 9.41-999 ?-999 ?-999 ? I IOD A 152 mARG.A 22 2.85 17.58 33.98 3.00 18.55 33.79 2.75 16.40 36.12 2.81 15.25 36.58 3.63 16.81 34.93 4.83 17.64 35.41 2 0 -6.16-999 ?-999 ?-999 ? I IOD A 152s mALA^A 23 1.93 17.33 36.61 2.01 18.23 36.17 -0.29 17.86 37.55 -0.28 18.98 37.03 1.00 17.06 37.70 1.63 17.35 39.03 2 0 8.24-999 ?-999 ?-999 ? I IOD A 152 mVAL^A 24 -1.39 17.29 38.02 -1.28 16.34 38.32 -3.26 17.82 39.44 -3.23 16.71 39.98 -2.65 18.01 38.07 -3.63 17.53 36.96 3 0 11.80-999 ?-999 ?-999 ? I IOD A 152 mARG^A 25 -3.79 18.91 40.01 -3.65 19.74 39.47 -5.94 19.43 41.11 -6.13 20.49 40.51 -4.50 18.90 41.29 -3.74 19.74 42.34 2 0 14.21-999 ?-999 ?-999 ? I IOD A 152 mILE^A 26 -6.95 18.69 41.58 -6.68 17.75 41.78 -8.84 18.63 43.06 -8.69 17.45 43.31 -8.31 19.21 41.77 -9.34 18.76 40.69 3 0 18.01-999 ?-999 ?-999 ? I IOD A 152 mGLY.A 27 -9.48 19.44 43.88 -9.72 20.34 43.52 -8.50 18.51 45.92 -7.43 19.12 45.81 -9.77 18.97 45.22-999.99-999.99-999.99 1 0 20.13-999 ?-999 ?-999 ? I IOD A 153s mPRO.A 28 -8.59 17.39 46.66 -9.45 16.89 46.63 -6.53 16.07 46.62 -5.41 15.74 47.04 -7.41 17.01 47.43 -8.03 16.28 48.63 3 0 -18.47-999 ?-999 ?-999 ? I IOD A 156s mLEU^A 29 -7.04 15.65 45.46 -7.97 15.98 45.28 -5.17 15.51 43.80 -5.39 16.58 43.22 -6.29 14.80 44.55 -7.25 14.21 43.51 3 0 17.43-999 ?-999 ?-999 ? I IOD A 152 mVAL^A 30 -3.99 14.90 43.79 -3.92 14.17 44.47 -2.43 14.02 42.15 -2.04 13.02 42.78 -2.89 15.28 42.89 -1.72 15.92 43.63 3 0 13.64-999 ?-999 ?-999 ? I IOD A 152 mVAL^A 31 -2.51 14.04 40.82 -3.00 14.82 40.44 -0.64 13.43 39.31 -0.54 14.57 38.87 -1.92 12.97 40.02 -2.91 12.38 38.99 3 0 12.62-999 ?-999 ?-999 ? I IOD A 152 mVAL^A 32 0.34 12.53 39.25 0.11 11.65 39.65 1.84 11.89 37.44 1.56 10.67 37.50 1.62 12.82 38.64 2.75 12.69 39.70 3 0 9.48-999 ?-999 ?-999 ? I IOD A 152 mALA^A 33 2.32 12.48 36.35 2.44 13.47 36.45 3.67 10.67 35.34 4.44 10.72 36.30 2.63 11.76 35.12 3.17 12.76 34.05 2 0 9.55-999 ?-999 ?-999 ? I IOD A 152 mGLY^A 34 3.71 9.68 34.44 2.92 9.65 33.83 6.10 9.58 34.34 6.22 10.50 33.51 4.84 8.75 34.40-999.99-999.99-999.99 1 0 10.97-999 ?-999 ?-999 ? I IOD A 152 mTHR^A 35 7.04 9.28 35.23 6.84 8.49 35.81 9.50 9.20 35.16 9.65 8.21 35.86 8.26 10.06 35.31 8.36 10.73 36.68 2 0 8.66-999 ?-999 ?-999 ? I IOD A 152 mTHR^A 36 10.40 9.60 34.27 10.14 10.39 33.71 12.79 9.76 34.75 12.58 10.92 35.15 11.68 8.91 34.16 12.02 8.56 32.71 2 0 10.35-999 ?-999 ?-999 ? I IOD A 152 mGLY.A 37 13.98 9.19 34.82 14.05 8.29 34.39 16.35 9.90 34.66 16.59 9.01 33.85 15.08 9.88 35.47-999.99-999.99-999.99 1 0 10.60-999 ?-999 ?-999 ? I IOD A 152 mSER.A 38 17.16 10.93 34.88 16.76 11.66 35.44 19.41 10.07 35.19 19.03 9.64 36.28 18.50 10.98 34.35 19.04 12.42 34.35 2 0 12.35-999 ?-999 ?-999 ? I IOD A 152 mGLY.A 39 20.59 9.78 34.69 20.80 10.23 33.82 21.80 7.66 34.53 21.03 7.29 33.64 21.48 8.86 35.39-999.99-999.99-999.99 1 0 13.34-999 ?-999 ?-999 ? I IOD A 151 mASP.A 40 22.95 7.05 34.80 23.41 7.39 35.63 22.88 4.63 34.28 22.77 3.77 33.40 23.47 5.99 33.96 25.00 5.92 34.06 2 0 14.77-999 ?-999 ?-999 ? I IOD A 151 mASP~A 41 22.49 4.40 35.53 22.53 5.20 36.14 20.73 3.11 36.71 20.28 4.17 37.13 22.04 3.07 35.93 23.12 2.35 36.74 2 0 12.68-999 ?-999 ?-999 ? I IOD A 151 mILE~A 42 20.13 1.94 36.91 20.67 1.13 36.69 18.63 2.63 38.77 17.66 3.36 38.96 18.78 1.91 37.44 18.13 0.49 37.43 3 0 11.14-999 ?-999 ?-999 ? I IOD A 151 mALA~A 43 19.58 2.47 39.69 20.32 1.86 39.43 19.41 4.70 40.78 18.52 5.34 41.30 19.47 3.18 40.96 20.60 2.81 41.91 2 0 7.40-999 ?-999 ?-999 ? I IOD A 151 mALA~A 44 20.36 5.26 40.03 21.01 4.62 39.63 19.13 7.23 39.17 18.61 8.28 39.53 20.40 6.71 39.84 21.63 7.10 39.04 2 0 8.40-999 ?-999 ?-999 ? I IOD A 151 mGLN~A 45 18.65 6.48 38.18 19.18 5.66 37.98 16.21 6.81 38.36 15.34 7.67 38.26 17.43 6.85 37.46 17.23 5.93 36.25 2 0 10.77-999 ?-999 ?-999 ? I IOD A 151 mTHR~A 46 16.13 5.81 39.24 16.86 5.13 39.17 15.08 6.99 41.15 14.06 7.63 41.40 15.03 5.78 40.21 15.05 4.48 41.03 2 0 8.75-999 ?-999 ?-999 ? I IOD A 151 mARG~A 47 16.25 7.30 41.68 17.01 6.71 41.42 15.93 9.72 41.87 15.20 10.53 42.43 16.36 8.44 42.58 17.78 8.59 43.13 2 0 6.76-999 ?-999 ?-999 ? I IOD A 151 mASP~A 48 16.39 9.88 40.64 16.93 9.11 40.29 14.61 11.17 39.49 14.02 12.25 39.48 16.09 11.09 39.87 16.98 11.16 38.63 2 0 10.35-999 ?-999 ?-999 ? I IOD A 151 mALA~A 49 14.01 10.02 39.20 14.59 9.21 39.21 11.79 10.43 40.11 10.80 11.15 40.00 12.57 10.00 38.89 12.12 8.61 38.40 2 0 9.29-999 ?-999 ?-999 ? I IOD A 152 mLEU~A 50 12.23 9.99 41.29 13.07 9.44 41.25 11.73 11.77 42.91 10.84 12.40 43.48 11.52 10.32 42.52 11.93 9.40 43.67 3 0 9.99-999 ?-999 ?-999 ? I IOD A 152 mARG~A 51 12.92 12.31 42.60 13.59 11.68 42.21 12.22 14.59 41.99 11.69 15.58 42.47 13.17 13.73 42.83 14.62 14.11 42.53 2 0 7.72-999 ?-999 ?-999 ? I IOD A 156 mARG~A 52 12.02 14.21 40.73 12.53 13.39 40.45 9.66 14.83 40.27 8.90 15.80 40.19 11.13 14.95 39.84 11.32 14.48 38.40 2 0 4.81-999 ?-999 ?-999 ? I IOD A 152 mILE~A 53 9.27 13.65 40.73 9.93 12.91 40.62 7.72 14.48 42.49 6.70 15.16 42.56 7.94 13.51 41.32 7.69 12.06 41.74 3 0 6.52-999 ?-999 ?-999 ? I IOD A 152 mGLU~A 54 8.70 14.54 43.40 9.45 13.90 43.25 8.52 16.93 44.02 7.70 17.69 44.52 8.65 15.49 44.51 9.90 15.35 45.39 2 0 5.45-999 ?-999 ?-999 ? I IOD A 156 mILE~A 55 9.34 17.31 43.03 9.96 16.60 42.71 7.93 18.99 41.93 7.37 20.08 42.17 9.31 18.67 42.50 10.38 18.85 41.40 3 0 4.03-999 ?-999 ?-999 ? I IOD A 156 mALA~A 56 7.35 18.04 41.19 7.89 17.20 41.09 4.99 18.36 41.68 4.18 19.29 41.70 6.05 18.26 40.59 5.71 17.16 39.59 2 0 4.54-999 ?-999 ?-999 ? I IOD A 152 mLEU~A 57 5.03 17.42 42.62 5.71 16.70 42.45 4.20 18.80 44.52 3.15 19.39 44.83 4.16 17.47 43.78 4.51 16.32 44.75 3 0 7.44-999 ?-999 ?-999 ? I IOD A 156 mGLY~A 58 5.41 19.28 44.81 6.16 18.74 44.44 5.00 21.69 44.87 4.40 22.58 45.48 5.59 20.50 45.59-999.99-999.99-999.99 1 0 5.10-999 ?-999 ?-999 ? I IOD A 156 mGLN~A 59 5.14 21.72 43.56 5.71 20.98 43.17 2.97 22.67 42.72 2.29 23.64 42.39 4.50 22.76 42.78 5.11 22.82 41.38 2 0 5.34-999 ?-999 ?-999 ? I IOD A 153 mALA~A 60 2.43 21.51 43.09 3.11 20.79 43.25 0.56 21.33 44.72 -0.54 20.88 45.06 0.99 21.31 43.24 0.56 19.99 42.57 2 0 9.09-999 ?-999 ?-999 ? I IOD A 153 mGLY.A 61 1.40 21.87 45.60 2.27 22.19 45.22 0.98 20.63 47.75 0.26 20.50 48.74 1.04 21.96 47.01-999.99-999.99-999.99 1 0 9.53-999 ?-999 ?-999 ? I IOD A 153 mALA.A 62 1.72 19.64 47.28 2.25 19.87 46.46 3.18 17.90 48.23 4.13 18.47 47.67 1.75 18.32 47.92 1.09 17.28 47.03 2 0 9.38-999 ?-999 ?-999 ? I IOD A 156 mTHR~A 63 3.32 16.89 49.08 2.45 16.55 49.45 4.61 14.83 49.26 3.55 14.23 49.03 4.63 16.35 49.45 5.05 16.68 50.93 2 0 8.09-999 ?-999 ?-999 ? I IOD A 156 mLEU~A 64 5.78 14.20 49.35 6.58 14.79 49.46 4.90 12.07 50.34 4.36 11.00 50.09 5.82 12.73 49.31 7.24 12.23 49.48 3 0 9.68-999 ?-999 ?-999 ? I IOD A 156 mALA~A 65 4.76 12.70 51.51 5.30 13.54 51.59 2.41 12.11 52.16 1.58 11.51 52.86 3.88 12.17 52.57 4.04 13.01 53.83 2 0 12.57-999 ?-999 ?-999 ? I IOD A 156 mASP.A 66 2.07 12.74 51.04 2.81 13.22 50.58 0.42 11.56 49.57 -0.73 11.24 49.24 0.68 12.70 50.56 0.26 14.03 49.92 2 0 13.44-999 ?-999 ?-999 ? I IOD A 156 mVAL^A 67 1.51 10.97 49.08 2.36 11.31 49.47 0.78 8.64 48.60 1.19 8.11 49.64 1.44 9.93 48.06 2.86 9.64 47.50 3 0 14.11-999 ?-999 ?-999 ? I IOD A 156 mVAL^A 68 -0.27 8.17 47.93 -0.51 8.69 47.11 -0.68 5.80 47.48 -0.84 4.64 47.88 -0.99 6.98 48.39 -2.53 7.18 48.44 3 0 17.93-999 ?-999 ?-999 ? I IOD A 156 mARG^A 69 -0.25 6.10 46.26 -0.20 7.08 46.07 1.29 5.45 44.41 1.35 6.57 43.89 0.11 5.06 45.30 -1.08 4.67 44.40 2 0 18.03-999 ?-999 ?-999 ? I IOD A 152 mTHR^A 70 2.22 4.51 44.22 2.18 3.76 44.88 3.03 3.41 42.21 2.45 2.38 42.59 3.20 4.61 43.14 4.65 4.65 43.65 2 0 16.17-999 ?-999 ?-999 ? I IOD A 152 mARG^A 71 3.51 3.55 40.98 3.89 4.45 40.77 4.79 2.53 39.30 5.14 3.62 38.82 3.49 2.43 40.04 2.31 2.56 39.07 2 0 17.20-999 ?-999 ?-999 ? I IOD A 152 mILE^A 72 5.51 1.41 39.25 5.04 0.60 39.60 6.98 0.44 37.53 6.68 -0.75 37.65 6.87 1.38 38.73 7.86 0.90 39.83 3 0 15.77-999 ?-999 ?-999 ? I IOD A 151 mTYR^A 73 7.38 0.98 36.39 7.43 1.98 36.41 9.22 0.09 35.08 9.91 1.11 35.06 7.71 0.19 35.21 7.16 0.86 33.95 3 0 17.82-999 ?-999 ?-999 ? I IOD A 151 mVAL^A 74 9.72 -1.13 34.94 9.04 -1.86 34.98 11.40 -2.16 33.50 10.55 -2.95 33.06 11.14 -1.35 34.75 11.79 -2.03 35.97 3 0 16.81-999 ?-999 ?-999 ? I IOD A 151 mTHR.A 75 12.58 -1.99 32.90 13.18 -1.30 33.31 13.55 -4.11 32.12 13.61 -5.03 31.31 12.90 -2.78 31.72 13.74 -2.00 30.66 2 0 19.21-999 ?-999 ?-999 ? I IOD A 151 mASP~A 76 14.02 -4.22 33.35 13.97 -3.39 33.90 14.19 -5.73 35.26 14.84 -5.22 36.19 14.57 -5.48 33.82 16.09 -5.50 33.69 2 0 18.41-999 ?-999 ?-999 ? I IOD A 151 mILE~A 77 13.12 -6.49 35.46 12.74 -6.91 34.64 13.49 -7.53 37.69 13.31 -7.62 38.90 12.57 -6.67 36.80 11.12 -7.24 36.78 3 0 17.67-999 ?-999 ?-999 ? I IOD A 151 mSER~A 78 14.48 -8.17 37.08 14.50 -8.10 36.08 16.27 -7.93 38.72 16.97 -8.34 39.66 15.45 -8.91 37.88 16.34 -9.81 37.01 2 0 17.87-999 ?-999 ?-999 ? I IOD A 151 mARG~A 79 16.19 -6.65 38.39 15.61 -6.46 37.59 15.96 -4.89 40.13 16.22 -3.76 40.51 16.89 -5.61 39.15 17.56 -4.61 38.21 2 0 14.28-999 ?-999 ?-999 ? I IOD A 151 mTRP~A 80 14.90 -5.58 40.57 14.87 -6.52 40.26 14.45 -4.45 42.75 13.91 -3.51 43.33 13.89 -4.96 41.43 12.72 -5.91 41.69 3 0 13.27-999 ?-999 ?-999 ? I IOD A 151 mARG~A 81 15.53 -5.06 43.23 15.90 -5.79 42.65 16.80 -3.31 44.48 16.72 -2.57 45.45 16.10 -4.65 44.51 17.04 -5.72 45.05 2 0 -11.01-999 ?-999 ?-999 ? I IOD A 151s mGLU~A 82 17.49 -3.00 43.39 17.52 -3.73 42.70 17.09 -0.62 43.25 17.30 0.45 43.83 18.15 -1.72 43.23 18.94 -1.66 41.91 2 0 8.60-999 ?-999 ?-999 ? I IOD A 151 mVAL~A 83 15.95 -0.89 42.62 15.92 -1.80 42.21 14.15 0.17 43.89 13.94 1.27 44.41 14.86 0.07 42.54 13.85 -0.31 41.44 3 0 8.66-999 ?-999 ?-999 ? I IOD A 151 mGLY~A 84 13.80 -0.98 44.46 14.01 -1.79 43.91 13.90 -0.26 46.86 13.27 0.42 47.67 13.16 -1.02 45.77-999.99-999.99-999.99 1 0 8.94-999 ?-999 ?-999 ? I IOD A 151 mGLU~A 85 15.22 -0.40 46.91 15.60 -0.99 46.20 15.80 1.78 47.90 15.69 2.42 48.95 16.02 0.28 47.92 17.50 -0.01 47.72 2 0 5.90-999 ?-999 ?-999 ? I IOD A 151 mVAL~A 86 15.79 2.36 46.70 15.95 1.73 45.94 14.11 4.18 46.91 13.88 5.22 47.53 15.55 3.78 46.54 15.88 4.23 45.09 3 0 4.06-999 ?-999 ?-999 ? I IOD A 151 mHIS~A 87 13.14 3.35 46.52 13.45 2.56 46.01 11.56 3.56 48.35 10.82 4.36 48.94 11.73 3.61 46.83 10.85 2.54 46.14 3 0 7.55-999 ?-999 ?-999 ? I IOD A 151 mALA~A 88 12.28 2.63 48.97 12.87 2.09 48.36 12.84 3.58 51.18 12.30 4.01 52.19 12.23 2.41 50.42 12.93 1.11 50.79 2 0 7.75-999 ?-999 ?-999 ? I IOD A 151 mGLN~A 89 13.97 4.09 50.69 14.34 3.61 49.89 13.66 6.47 51.19 13.62 7.31 52.09 14.59 5.25 51.30 15.98 5.52 50.69 2 0 5.48-999 ?-999 ?-999 ? I IOD A 151 mALA~A 90 12.89 6.55 50.11 13.03 5.81 49.45 10.62 7.39 50.74 10.05 8.32 51.31 11.92 7.63 49.95 11.62 7.86 48.46 2 0 7.65-999 ?-999 ?-999 ? I IOD A 151 mPHE~A 91 10.18 6.14 50.82 10.81 5.44 50.50 8.73 4.88 52.51 7.66 4.34 52.76 8.83 5.87 51.34 7.92 5.38 50.22 3 0 10.69-999 ?-999 ?-999 ? I IOD A 151 mGLY~A 92 9.82 4.65 53.22 10.63 5.17 52.92 8.80 4.00 55.40 8.20 3.08 55.96 9.83 3.71 54.32-999.99-999.99-999.99 1 0 11.23-999 ?-999 ?-999 ? I IOD A 151 mLYS.A 93 8.60 5.28 55.71 9.18 5.93 55.22 6.22 5.80 56.08 5.21 5.31 56.61 7.60 5.65 56.72 7.98 6.97 57.40 2 0 14.33-999 ?-999 ?-999 ? I IOD A 151 mILE.A 94 6.18 6.47 54.94 7.09 6.73 54.60 4.20 5.56 53.72 3.00 5.37 53.99 4.94 6.80 54.24 5.24 7.79 53.11 3 0 15.42-999 ?-999 ?-999 ? I IOD A 151 mARG.A 95 4.91 4.74 52.99 5.82 5.10 52.77 3.15 3.53 51.73 2.15 2.99 52.12 4.43 3.45 52.56 4.21 2.56 53.74 2 0 15.36-999 ?-999 ?-999 ? I IOD A 151 mPRO.A 96 3.20 4.19 50.60 4.04 4.70 50.44 1.98 2.69 49.19 2.90 1.90 49.42 2.08 4.13 49.69 2.53 5.05 48.56 3 0 17.02-999 ?-999 ?-999 ? I IOD A 151 mVAL.A 97 0.89 2.33 48.52 0.13 2.98 48.56 1.72 1.17 46.55 1.90 2.29 46.05 0.87 1.04 47.81 -0.56 0.61 47.46 3 0 18.62-999 ?-999 ?-999 ? I IOD A 151 mTHR.A 98 2.28 0.08 46.04 2.24 -0.74 46.62 2.63 -1.11 43.91 2.05 -2.08 44.39 2.91 0.12 44.72 4.46 0.06 44.72 2 0 17.22-999 ?-999 ?-999 ? I IOD A 151 mSER.A 99 3.11 -1.05 42.68 3.39 -0.12 42.41 4.52 -2.04 41.05 4.96 -0.92 40.86 3.23 -2.20 41.80 2.06 -2.26 40.82 2 0 18.55-999 ?-999 ?-999 ? I IOD A 151 mMET^A 100 5.12 -3.15 40.63 4.71 -4.00 40.94 6.16 -4.11 38.71 6.04 -5.30 39.01 6.30 -3.07 39.78 7.57 -3.34 40.59 2 0 17.32-999 ?-999 ?-999 ? I IOD A 151 mVAL^A 101 6.17 -3.69 37.45 6.22 -2.70 37.33 7.14 -4.38 35.31 7.56 -3.25 35.10 6.10 -4.66 36.37 4.74 -4.69 35.66 3 0 20.06-999 ?-999 ?-999 ? I IOD A 151 mGLU^A 102 7.53 -5.43 34.62 7.12 -6.31 34.87 7.81 -4.96 32.25 6.85 -5.64 31.87 8.51 -5.26 33.57 9.34 -6.52 33.46 2 0 20.77-999 ?-999 ?-999 ? I IOD A 151 mVAL.A 103 8.31 -3.94 31.55 9.02 -3.42 32.01 8.90 -3.89 29.14 10.08 -3.91 29.47 7.81 -3.64 30.20 7.27 -2.19 30.10 3 0 21.59-999 ?-999 ?-999 ? I IOD A 155 mTHR.A 104 8.50 -4.05 27.89 7.51 -4.01 27.73 10.37 -3.03 26.63 11.58 -3.16 26.46 9.50 -4.26 26.85 8.89 -4.74 25.50 2 0 20.99-999 ?-999 ?-999 ? I IOD A 155 mALA.A 105 9.77 -1.84 26.67 8.79 -1.89 26.86 9.85 0.61 27.12 8.65 0.62 27.35 10.51 -0.59 26.44 10.66 -0.33 24.94 2 0 17.35-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 106 10.66 1.62 27.45 11.63 1.39 27.44 10.37 3.87 26.58 10.86 3.42 25.55 10.15 2.94 27.79 10.81 3.48 29.08 3 0 14.50-999 ?-999 ?-999 ? I IOD A 155 mILE.A 107 10.02 5.14 26.72 9.77 5.39 27.65 11.36 6.22 24.85 11.40 6.57 23.67 10.02 6.08 25.58 9.52 7.47 26.02 3 0 10.74-999 ?-999 ?-999 ? I IOD A 155 mALA.A 108 12.46 5.95 25.56 12.28 5.72 26.51 14.61 4.82 25.48 14.40 4.36 26.61 13.80 6.00 24.97 14.49 7.30 25.30 2 0 11.31-999 ?-999 ?-999 ? I IOD A 155 mPRO.A 109 15.54 4.31 24.65 15.74 4.87 23.85 17.09 3.04 26.19 17.33 1.98 26.77 16.18 3.03 24.96 16.98 2.70 23.69 3 0 14.86-999 ?-999 ?-999 ? I IOD A 155 mGLY.A 110 17.60 4.21 26.58 17.34 4.99 26.02 17.73 4.41 29.07 18.34 4.41 30.15 18.48 4.28 27.75-999.99-999.99-999.99 1 0 15.83-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 111 16.41 4.53 28.98 16.06 4.45 28.05 15.14 3.40 30.72 14.60 2.56 30.00 15.56 4.75 30.15 14.34 5.60 29.76 3 0 15.27-999 ?-999 ?-999 ? I IOD A 155 mLEU.A 112 15.39 3.21 32.01 15.62 4.04 32.51 14.19 1.71 33.60 13.88 0.60 34.03 15.34 1.88 32.62 16.65 1.62 33.35 3 0 16.20-999 ?-999 ?-999 ? I IOD A 151 mVAL^A 113 13.59 2.83 33.96 13.90 3.64 33.47 11.66 4.07 34.78 12.13 5.14 34.41 12.55 2.85 34.99 13.14 2.82 36.44 3 0 14.74-999 ?-999 ?-999 ? I IOD A 151 mGLU^A 114 10.35 3.89 34.94 10.08 2.93 35.06 8.48 4.87 36.14 8.03 3.77 36.46 9.42 5.01 34.94 8.63 5.05 33.64 2 0 13.64-999 ?-999 ?-999 ? I IOD A 152 mILE^A 115 8.19 5.98 36.81 8.60 6.81 36.43 6.18 6.92 37.92 6.36 8.09 37.57 7.35 5.95 38.00 8.20 6.25 39.26 3 0 12.65-999 ?-999 ?-999 ? I IOD A 152 mGLU^A 116 4.98 6.44 38.22 4.95 5.44 38.31 3.51 7.45 39.89 3.91 6.63 40.72 3.81 7.28 38.41 2.59 6.63 37.76 2 0 12.41-999 ?-999 ?-999 ? I IOD A 152 mALA^A 117 2.73 8.47 40.23 2.49 9.10 39.49 0.89 9.23 41.68 0.53 10.08 40.85 2.29 8.61 41.60 3.29 9.44 42.40 2 0 12.74-999 ?-999 ?-999 ? I IOD A 152 mASP^A 118 0.11 8.79 42.67 0.47 7.98 43.14 -1.01 9.89 44.46 -0.46 9.18 45.31 -1.14 9.43 43.03 -2.32 8.47 42.92 2 0 14.83-999 ?-999 ?-999 ? I IOD A 152 mALA^A 119 -1.50 11.10 44.73 -1.92 11.56 43.95 -2.79 12.17 46.48 -3.63 12.49 45.64 -1.43 11.65 46.07 -0.38 12.77 46.13 2 0 14.92-999 ?-999 ?-999 ? I IOD A 156 mTYR^A 120 -3.02 12.23 47.79 -2.28 11.89 48.36 -3.95 13.86 49.34 -3.25 13.62 50.33 -4.26 12.78 48.31 -5.11 11.66 48.92 3 0 16.93-999 ?-999 ?-999 ? I IOD A 156 mVAL.A 121 -4.47 15.06 49.10 -4.99 15.13 48.25 -3.15 17.12 49.53 -2.71 17.03 48.38 -4.26 16.18 50.01 -4.12 15.73 51.48 3 0 16.05-999 ?-999 ?-999 ? I IOD A 156