HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-DEC-08 3FKQ COMPND NTRC-LIKE TWO-DOMAIN PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM RECTALE; SOURCE 3 ORGANISM_TAXID: 39491; SOURCE 4 GENE: RER070207001320; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 5 HET MSE A 110 8 HET MSE A 152 8 HET MSE A 179 8 HET MSE A 238 8 HET MSE A 281 8 HET MSE A 302 8 HET MSE A 304 8 HET MSE A 316 8 HET MSE A 346 8 HET ATP A 500 31 HET MG A 501 1 HET CL A 355 1 HET 2PE A 356 13 HET 2PE A 357 16 HET GOL A 358 6 HET GOL A 359 6 HET SO4 A 360 5 SITE 1 AC1 27 GLY A 134 GLY A 135 VAL A 136 GLY A 137 SITE 1 AC2 5 SER A 139 GLU A 162 HOH A 372 HOH A 388 SITE 1 AC3 3 SER A 310 ASN A 311 LYS A 312 SITE 1 AC4 7 ASP A 16 ARG A 17 VAL A 21 MSE A 152 SITE 1 AC5 9 ASP A 11 GLU A 56 GLY A 77 LYS A 92 SITE 1 AC6 8 SER A 273 GLN A 274 LEU A 275 ASN A 313 SITE 1 AC7 5 SER A 310 ASN A 313 ARG A 330 GLU A 332 SITE 1 AC8 3 LEU A 221 GLU A 253 ILE A 254 mMETA 1 21.76 80.07 -4.22 21.96 79.24 -4.73 22.67 81.77 -2.59 22.90 81.25 -1.49 21.47 81.32 -3.45 20.23 81.11 -2.57 2 0 23.86-999 ?-999 ?-999 ? O1 2PE A 356 mLYS.A 2 23.44 82.74 -3.11 23.16 83.00 -4.03 24.10 84.29 -1.27 23.05 84.93 -1.40 24.57 83.35 -2.38 25.45 84.17 -3.34 2 0 26.29-999 ?-999 ?-999 ? O1 2PE A 356 mILE^A 3 24.90 84.39 -0.20 25.72 83.83 -0.25 24.97 86.69 0.57 26.10 86.94 0.14 24.58 85.26 0.93 25.34 84.86 2.22 3 0 27.89-999 ?-999 ?-999 ? O1 2PE A 356 mLYS^A 4 24.04 87.63 0.74 23.15 87.29 1.04 24.76 89.65 1.81 24.04 89.55 2.80 24.33 89.04 0.50 23.12 89.77 -0.08 2 0 31.51-999 ?-999 ?-999 ? O1 2PE A 356 mVAL^A 5 25.93 90.26 1.81 26.35 90.33 0.91 26.75 92.29 2.87 27.23 92.76 1.83 26.56 90.78 3.02 27.90 90.07 3.27 3 0 33.77-999 ?-999 ?-999 ? O1 2PE A 356 mALA^A 6 26.35 93.04 3.89 25.84 92.54 4.59 27.73 94.73 5.05 27.66 94.13 6.14 26.66 94.48 3.97 25.40 95.27 4.28 2 0 37.43-999 ?-999 ?-999 ? O1 2PE A 356 mLEU^A 7 28.72 95.58 4.75 28.67 95.92 3.81 29.73 97.47 5.99 29.73 98.29 5.07 29.78 95.97 5.70 31.17 95.62 5.16 3 0 39.86-999 ?-999 ?-999 ? O1 2PE A 356 mLEU^A 8 29.71 97.82 7.28 29.75 97.05 7.91 30.83 99.61 8.59 31.01 99.11 9.70 29.62 99.21 7.72 28.30 99.42 8.48 3 0 43.15-999 ?-999 ?-999 ? O1 2PE A 356 mASP.A 9 31.66 100.51 8.08 31.39 100.85 7.18 33.28 102.33 8.30 32.94 102.74 7.18 32.86 100.95 8.80 33.99 99.93 8.58 2 0 45.93-999 ?-999 ?-999 ? O1 2PE A 356 mLYS.A 10 34.01 103.05 9.13 34.07 102.68 10.05 36.07 104.03 8.07 36.60 104.91 7.41 34.67 104.28 8.69 34.76 105.27 9.86 2 0 49.62-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 11 36.65 102.85 8.28 36.13 102.25 8.90 37.65 101.91 6.24 37.41 100.72 6.05 37.92 102.46 7.65 38.66 101.42 8.54 2 0 -49.03-999 ?-999 ?-999 ? O1 2PE A 356s mLYS~A 12 37.69 102.81 5.26 37.87 103.74 5.59 38.54 101.50 3.31 38.22 100.58 2.55 37.48 102.49 3.85 37.47 103.77 3.00 2 0 48.52-999 ?-999 ?-999 ? O1 2PE A 356 mGLU~A 13 39.79 101.70 3.72 39.92 102.51 4.29 40.49 99.35 3.73 40.63 98.42 2.92 40.87 100.78 3.35 42.20 101.17 4.02 2 0 48.47-999 ?-999 ?-999 ? O1 2PE A 356 mTYR~A 14 39.99 99.18 4.95 39.94 100.03 5.49 38.36 97.34 4.68 38.35 96.16 4.28 39.57 97.87 5.45 39.26 97.92 6.96 3 0 45.44-999 ?-999 ?-999 ? O1 2PE A 356 mLEU~A 15 37.37 98.19 4.46 37.51 99.10 4.85 36.56 97.33 2.29 36.13 96.25 1.87 36.18 97.81 3.69 35.18 98.97 3.61 3 0 43.73-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 16 37.40 98.12 1.60 37.64 98.96 2.08 38.69 96.48 0.26 38.56 95.67 -0.64 37.91 97.77 0.26 38.84 98.84 -0.31 2 0 -44.40-999 ?-999 ?-999 ? O1 2PE A 356s mARG~A 17 39.52 96.29 1.28 39.56 97.05 1.94 39.38 93.85 1.46 39.61 92.89 0.74 40.30 95.07 1.40 41.26 95.14 2.59 2 0 -43.20-999 ?-999 ?-999 ? O1 2PE A 356s mLEU~A 18 38.32 93.89 2.28 38.21 94.76 2.76 36.55 92.53 1.23 36.47 91.41 0.71 37.42 92.73 2.44 36.53 92.82 3.71 3 0 39.74-999 ?-999 ?-999 ? O1 2PE A 356 mTHR~A 19 35.88 93.59 0.79 36.03 94.43 1.29 35.73 93.03 -1.62 35.17 92.30 -2.44 34.99 93.48 -0.36 34.22 94.78 -0.63 2 0 39.28-999 ?-999 ?-999 ? O1 2PE A 356 mGLY~A 20 37.00 93.44 -1.74 37.30 94.05 -1.02 38.15 91.53 -2.81 38.12 90.87 -3.84 37.86 93.01 -2.84-999.99-999.99-999.99 1 0 40.39-999 ?-999 ?-999 ? O1 2PE A 356 mVAL~A 21 38.44 91.00 -1.61 38.43 91.65 -0.86 37.46 88.77 -1.60 37.42 87.79 -2.35 38.74 89.58 -1.46 39.42 89.28 -0.11 3 0 -37.83-999 ?-999 ?-999 ? O1 2PE A 356s mPHE~A 22 36.42 89.20 -0.90 36.60 90.02 -0.36 34.48 88.46 -2.31 34.01 87.40 -2.72 35.12 88.51 -0.93 34.13 89.14 0.06 3 0 34.98-999 ?-999 ?-999 ? O1 2PE A 356 mASN~A 23 34.47 89.58 -3.02 34.88 90.38 -2.57 34.78 88.99 -5.46 34.37 88.95 -6.61 33.88 89.61 -4.36 33.39 91.02 -4.74 2 0 35.74-999 ?-999 ?-999 ? O1 2PE A 356 mTHR~A 24 35.97 88.50 -5.10 36.26 88.73 -4.17 36.89 86.26 -5.55 36.28 85.37 -6.13 36.78 87.70 -6.03 38.19 88.30 -6.27 2 0 35.84-999 ?-999 ?-999 ? O1 2PE A 356 mLYS~A 25 37.64 86.03 -4.48 38.01 86.86 -4.05 36.63 83.93 -3.47 36.59 82.70 -3.47 37.89 84.66 -3.99 38.98 84.69 -2.91 2 0 33.65-999 ?-999 ?-999 ? O1 2PE A 356 mTYR~A 26 35.63 84.68 -3.02 35.80 85.67 -3.10 33.14 84.58 -3.27 32.03 84.59 -2.73 34.38 84.13 -2.48 34.22 84.54 -1.01 3 0 31.01-999 ?-999 ?-999 ? O1 2PE A 356 mALA.A 27 33.33 84.97 -4.53 34.27 84.86 -4.85 31.19 84.43 -5.69 30.04 84.75 -6.01 32.23 85.50 -5.36 32.78 86.14 -6.64 2 0 31.59-999 ?-999 ?-999 ? O1 2PE A 356 mASP.A 28 31.59 83.17 -5.63 32.58 83.07 -5.49 29.73 81.88 -4.58 28.63 81.38 -4.76 30.68 82.04 -5.77 31.44 80.72 -6.03 2 0 28.00-999 ?-999 ?-999 ? O1 2PE A 356 mLYS.A 29 30.15 82.30 -3.38 31.04 82.76 -3.41 28.77 83.39 -1.56 27.69 83.36 -0.95 29.37 82.11 -2.14 30.24 81.43 -1.07 2 0 26.78-999 ?-999 ?-999 ? O1 2PE A 356 mLEU^A 30 29.46 84.52 -1.75 30.29 84.40 -2.29 28.84 86.86 -2.25 29.32 86.75 -3.37 29.03 85.80 -1.20 30.08 86.32 -0.21 3 0 29.89-999 ?-999 ?-999 ? O1 2PE A 356 mGLU^A 31 28.15 87.91 -1.85 27.77 87.81 -0.93 28.01 90.27 -1.65 27.06 90.45 -0.86 27.97 89.11 -2.64 26.64 89.01 -3.35 2 0 32.76-999 ?-999 ?-999 ? O1 2PE A 356 mVAL^A 32 29.10 91.04 -1.69 29.68 90.91 -2.50 29.36 93.46 -1.06 29.97 93.87 -2.06 29.42 91.99 -0.62 30.80 91.66 0.03 3 0 35.77-999 ?-999 ?-999 ? O1 2PE A 356 mTYR^A 33 28.60 94.23 -0.28 28.14 93.71 0.44 29.06 96.33 0.80 28.96 95.78 1.89 28.45 95.67 -0.43 26.97 96.01 -0.54 3 0 38.98-999 ?-999 ?-999 ? O1 2PE A 356 mSER^A 34 29.68 97.49 0.62 29.66 97.82 -0.32 29.82 99.61 1.87 29.40 100.22 0.90 30.34 98.19 1.74 31.86 98.20 1.56 2 0 41.91-999 ?-999 ?-999 ? O1 2PE A 356 mPHE^A 35 29.84 100.13 3.10 30.30 99.53 3.77 30.10 102.14 4.52 30.64 101.48 5.42 29.27 101.43 3.44 27.84 101.25 3.96 3 0 44.77-999 ?-999 ?-999 ? O1 2PE A 356 mTHR.A 36 30.21 103.46 4.42 29.90 103.83 3.54 29.67 105.06 6.27 29.95 105.60 7.34 30.74 104.28 5.52 31.83 105.26 5.05 2 0 48.04-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 37 28.46 105.11 5.71 28.39 104.61 4.85 26.33 104.84 6.86 25.93 103.90 6.16 27.34 105.84 6.31 26.67 106.72 5.26 2 0 48.36-999 ?-999 ?-999 ? O1 SO4 A 360 mGLU~A 38 25.89 105.05 8.11 26.28 105.86 8.55 23.57 104.13 8.02 23.02 103.06 7.80 24.92 104.15 8.74 24.71 104.51 10.22 2 0 44.83-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS~A 39 23.04 105.30 7.67 23.62 106.09 7.85 21.65 104.64 5.70 20.70 103.89 5.43 21.70 105.37 7.05 21.22 106.82 6.91 2 0 43.98-999 ?-999 ?-999 ? O1 SO4 A 360 mASN~A 40 22.68 104.83 4.87 23.35 105.50 5.21 22.89 102.61 3.77 22.30 101.86 2.99 22.80 104.11 3.60 24.03 104.59 2.80 2 0 45.16-999 ?-999 ?-999 ? O1 SO4 A 360 mALA~A 41 23.62 102.16 4.79 24.06 102.88 5.32 22.40 100.12 5.47 22.01 99.08 4.93 23.75 100.74 5.08 24.77 100.51 6.18 2 0 43.10-999 ?-999 ?-999 ? O1 2PE A 356 mILE~A 42 21.67 100.79 6.37 22.07 101.66 6.65 19.36 100.16 5.78 18.75 99.11 5.60 20.40 100.26 6.89 19.83 101.11 8.06 3 0 39.83-999 ?-999 ?-999 ? O1 SO4 A 360 mGLU~A 43 19.17 101.24 5.02 19.74 102.02 5.26 18.58 100.30 2.78 17.71 99.74 2.12 18.18 101.22 3.94 17.85 102.63 3.46 2 0 40.20-999 ?-999 ?-999 ? O1 SO4 A 360 mSER~A 44 19.89 100.12 2.56 20.48 100.72 3.10 20.05 97.68 2.00 19.97 96.83 1.11 20.38 99.13 1.61 21.89 99.26 1.41 2 0 40.98-999 ?-999 ?-999 ? O1 2PE A 356 mVAL~A 45 19.89 97.40 3.30 20.03 98.18 3.91 18.19 95.65 3.17 18.05 94.56 2.61 19.52 96.06 3.76 19.41 95.95 5.30 3 0 37.95-999 ?-999 ?-999 ? O1 2PE A 356 mLYS~A 46 17.22 96.56 3.31 17.51 97.38 3.80 15.89 96.28 1.27 15.41 95.31 0.69 15.86 96.37 2.80 14.93 97.53 3.23 2 0 36.33-999 ?-999 ?-999 ? O1 SO4 A 360 mGLU~A 47 16.51 97.28 0.65 16.95 97.93 1.28 17.29 96.26 -1.50 16.73 95.63 -2.39 16.56 97.40 -0.80 17.19 98.74 -1.21 2 0 39.25-999 ?-999 ?-999 ? O1 2PE A 356 mTYR~A 48 18.53 95.99 -1.10 18.87 96.56 -0.35 18.99 93.51 -1.19 19.49 92.53 -1.72 19.31 94.91 -1.73 20.82 95.15 -1.61 3 0 36.84-999 ?-999 ?-999 ? O1 2PE A 356 mARG~A 49 18.16 93.42 -0.15 17.81 94.31 0.17 19.04 91.47 1.06 19.40 90.34 0.75 17.79 92.13 0.45 17.10 91.21 -0.57 2 0 33.91-999 ?-999 ?-999 ? O1 2PE A 356 mILE.A 50 19.70 92.23 1.93 19.29 93.12 2.10 20.59 90.81 3.73 19.61 91.03 4.47 20.93 91.76 2.58 21.80 92.94 3.03 3 0 33.70-999 ?-999 ?-999 ? O1 2PE A 356 mASP.A 51 21.40 89.75 3.85 22.16 89.78 3.20 22.08 88.80 6.07 21.70 88.30 7.13 21.22 88.66 4.82 21.53 87.32 4.17 2 0 30.83-999 ?-999 ?-999 ? O1 2PE A 356 mVAL^A 52 23.25 89.43 5.94 23.46 89.71 5.00 24.70 91.11 6.95 25.35 91.42 5.94 24.13 89.69 7.08 25.29 88.66 7.17 3 0 32.62-999 ?-999 ?-999 ? O1 2PE A 356 mLEU^A 53 24.42 91.95 7.95 23.69 91.61 8.56 26.22 93.11 9.22 25.94 92.70 10.34 25.11 93.23 8.15 24.12 94.31 8.60 3 0 36.42-999 ?-999 ?-999 ? O1 2PE A 356 mILE^A 54 27.45 93.49 8.89 27.57 93.70 7.92 28.98 95.03 10.01 29.51 95.59 9.05 28.52 93.57 9.88 29.73 92.70 9.54 3 0 37.94-999 ?-999 ?-999 ? O1 2PE A 356 mALA^A 55 28.77 95.61 11.20 28.35 95.00 11.87 30.31 97.08 12.44 30.51 96.21 13.28 29.12 96.99 11.49 27.90 97.73 12.07 2 0 41.66-999 ?-999 ?-999 ? O1 2PE A 356 mGLU^A 56 31.10 98.14 12.31 30.87 98.72 11.53 31.64 98.66 14.66 30.66 99.39 14.81 32.20 98.40 13.25 33.07 99.57 12.76 2 0 -44.33-999 ?-999 ?-999 ? O1 2PE A 356s mGLU.A 57 32.28 98.06 15.66 33.13 97.62 15.37 31.32 99.34 17.65 30.45 99.31 18.53 31.80 98.02 17.06 32.88 97.43 17.99 2 0 45.05-999 ?-999 ?-999 ? O1 2PE A 356 mASP.A 58 31.86 100.48 17.21 32.60 100.36 16.55 29.97 102.14 17.22 29.32 102.97 17.84 31.37 101.78 17.70 32.31 102.95 17.36 2 0 46.63-999 ?-999 ?-999 ? O1 SO4 A 360 mPHE.A 59 29.50 101.55 16.12 30.17 100.98 15.65 27.15 101.10 16.68 27.49 100.08 17.28 28.12 101.76 15.68 27.90 101.19 14.27 3 0 44.23-999 ?-999 ?-999 ? O1 SO4 A 360 mASN.A 60 25.98 101.71 16.87 25.94 102.62 16.44 23.74 100.79 16.66 22.91 101.65 16.38 24.88 101.11 17.63 24.39 102.05 18.75 2 0 41.06-999 ?-999 ?-999 ? O1 SO4 A 360 mILE.A 61 23.71 99.58 16.13 24.41 98.96 16.48 21.44 98.71 15.76 21.48 97.79 16.58 22.72 99.22 15.11 23.25 98.14 14.14 3 0 38.57-999 ?-999 ?-999 ? O1 SO4 A 360 mASP~A 62 20.31 99.32 15.39 20.47 100.13 14.83 18.46 97.93 14.65 17.99 98.39 13.61 18.97 98.85 15.76 18.04 100.05 15.95 2 0 35.42-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS~A 63 18.54 96.61 14.87 18.89 96.40 15.78 16.65 95.54 13.53 16.26 94.83 12.60 18.15 95.60 13.87 18.66 94.20 14.28 2 0 33.13-999 ?-999 ?-999 ? O1 SO4 A 360 mSER~A 64 15.81 96.26 14.27 16.22 96.67 15.08 14.21 97.30 12.65 13.20 97.20 11.97 14.39 96.43 13.90 13.60 97.01 15.07 2 0 30.94-999 ?-999 ?-999 ? O1 SO4 A 360 mGLU~A 65 15.21 98.14 12.35 15.95 98.13 13.02 15.51 98.24 9.85 15.34 98.80 8.77 15.20 98.98 11.15 16.21 100.11 11.29 2 0 34.02-999 ?-999 ?-999 ? O1 SO4 A 360 mPHE~A 66 16.00 97.00 9.94 16.13 96.67 10.88 15.05 95.94 7.91 15.12 95.91 6.68 16.30 96.21 8.74 16.93 94.85 9.08 3 0 33.80-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS~A 67 13.92 95.74 8.60 14.03 95.86 9.59 12.77 94.12 7.10 12.15 94.01 6.05 12.64 95.38 7.98 12.06 96.58 7.21 2 0 31.19-999 ?-999 ?-999 ? O1 SO4 A 360 mARG.A 68 13.57 93.17 7.58 13.90 93.36 8.50 14.62 90.96 7.75 15.28 91.36 8.71 13.92 91.97 6.83 14.85 92.36 5.69 2 0 30.55-999 ?-999 ?-999 ? O1 SO4 A 360 mASN.A 69 14.47 89.67 7.46 13.74 89.47 6.81 16.77 88.90 7.63 17.15 88.65 6.47 15.32 88.65 8.06 14.90 87.24 7.63 2 0 29.31-999 ?-999 ?-999 ? O1 SO4 A 360 mCYH.A 70 17.56 89.44 8.55 17.11 89.56 9.44 19.75 89.75 9.59 19.35 90.36 10.58 18.95 89.82 8.30 19.02 91.23 7.73 2 0 32.38-999 ?-999 ?-999 ? O1 2PE A 356 mGLY^A 71 20.86 89.02 9.57 21.03 88.57 8.70 22.61 90.12 10.97 22.92 90.88 10.04 21.74 88.90 10.72-999.99-999.99-999.99 1 0 32.33-999 ?-999 ?-999 ? O1 2PE A 356 mLEU^A 72 23.00 90.30 12.23 22.64 89.61 12.86 25.08 90.86 13.41 24.93 89.96 14.24 23.87 91.42 12.67 23.11 92.38 13.57 3 0 35.61-999 ?-999 ?-999 ? O1 2PE A 356 mALA^A 73 26.26 91.40 13.09 26.22 92.01 12.29 28.35 92.41 13.91 28.13 93.36 13.14 27.50 91.13 13.82 28.27 90.06 13.14 2 0 36.53-999 ?-999 ?-999 ? O1 2PE A 356 mTYR^A 74 29.30 92.45 14.84 29.35 91.64 15.42 31.65 93.28 14.73 32.15 92.27 15.21 30.19 93.62 14.97 30.06 94.27 16.34 3 0 39.93-999 ?-999 ?-999 ? O1 2PE A 356 mPHE^A 75 32.31 94.14 13.96 31.73 94.85 13.55 34.47 94.66 14.97 34.07 95.70 15.47 33.76 94.06 13.75 34.19 94.88 12.52 3 0 41.18-999 ?-999 ?-999 ? O1 2PE A 356 mTHR^A 76 35.55 94.02 15.41 35.76 93.18 14.91 37.81 94.27 16.33 38.20 93.38 15.58 36.34 94.53 16.53 35.92 93.87 17.87 2 0 43.54-999 ?-999 ?-999 ? O1 2PE A 356 mGLY.A 77 38.62 95.07 17.04 38.15 95.83 17.48 40.43 94.15 18.46 41.61 93.86 18.68 40.05 94.86 17.16-999.99-999.99-999.99 1 0 -45.73-999 ?-999 ?-999 ? O1 2PE A 356s mTHR.A 78 39.46 93.82 19.30 38.54 93.90 18.92 39.67 91.83 20.70 38.62 91.29 20.39 39.76 93.37 20.65 38.81 94.07 21.65 2 0 45.77-999 ?-999 ?-999 ? O1 2PE A 356 mPRO.A 79 40.77 91.14 21.06 41.60 91.67 21.25 39.93 89.18 22.38 39.74 89.93 23.36 40.70 89.68 21.15 42.17 89.28 21.30 3 0 43.71-999 ?-999 ?-999 ? O1 2PE A 356 mGLY.A 80 39.55 87.90 22.32 39.76 87.46 21.45 37.46 87.68 23.72 36.94 87.41 24.80 38.88 87.22 23.43-999.99-999.99-999.99 1 0 42.16-999 ?-999 ?-999 ? O1 2PE A 356 mILE.A 81 36.83 88.37 22.78 37.34 88.46 21.93 34.51 88.25 22.06 34.57 88.43 20.85 35.50 88.93 23.00 35.51 90.46 22.83 3 0 41.58-999 ?-999 ?-999 ? O1 2PE A 356 mGLU.A 82 33.59 87.48 22.63 33.59 87.51 23.63 31.48 87.44 21.36 31.02 87.23 20.25 32.68 86.66 21.84 32.27 85.42 22.62 2 0 38.13-999 ?-999 ?-999 ? O1 2PE A 356 mLEU^A 83 30.99 88.36 22.19 31.50 88.45 23.05 30.03 90.63 22.09 30.68 91.04 23.06 29.81 89.15 21.88 28.61 88.72 22.75 3 0 39.05-999 ?-999 ?-999 ? O1 2PE A 356 mILE^A 84 29.43 91.43 21.21 29.00 90.94 20.45 27.98 93.30 21.12 27.36 92.90 20.13 29.41 92.88 21.35 30.35 93.55 20.32 3 0 40.26-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS.A 85 27.45 94.11 22.05 28.09 94.36 22.77 25.10 93.42 21.60 24.26 93.57 20.70 26.06 94.56 22.00 25.93 95.77 21.05 2 0 38.08-999 ?-999 ?-999 ? O1 SO4 A 360 mASP.A 86 25.26 92.29 22.26 26.03 92.33 22.90 24.57 90.30 20.81 23.81 89.37 20.60 24.42 91.09 22.09 22.94 91.41 22.35 2 0 35.00-999 ?-999 ?-999 ? O1 SO4 A 360 mGLU^A 87 25.57 90.61 19.99 26.19 91.32 20.34 27.12 89.40 18.57 28.01 89.75 19.33 25.72 89.96 18.70 25.44 90.96 17.58 2 0 35.83-999 ?-999 ?-999 ? O1 SO4 A 360 mILE^A 88 27.32 88.52 17.59 26.50 88.31 17.07 29.65 89.06 17.06 29.35 90.03 16.36 28.63 87.94 17.33 28.59 86.94 16.15 3 0 35.47-999 ?-999 ?-999 ? O1 2PE A 356 mALA^A 89 30.82 88.93 17.69 30.86 88.14 18.30 32.84 89.17 16.48 33.13 87.96 16.59 31.93 89.82 17.51 32.67 90.02 18.84 2 0 38.25-999 ?-999 ?-999 ? O1 2PE A 356 mILE^A 90 33.26 89.94 15.49 32.91 90.88 15.53 35.48 90.25 14.47 35.50 91.48 14.30 34.16 89.45 14.43 33.51 89.49 13.02 3 0 37.64-999 ?-999 ?-999 ? O1 2PE A 356 mCYH^A 91 36.56 89.55 14.77 36.40 88.58 14.97 38.33 90.57 13.39 38.42 89.75 12.49 37.87 90.14 14.81 38.85 89.14 15.40 2 0 40.08-999 ?-999 ?-999 ? O1 2PE A 356 mLYS.A 92 38.60 91.86 13.19 38.52 92.42 14.02 40.24 91.78 11.26 40.36 91.69 10.04 38.98 92.39 11.87 39.25 93.88 11.94 2 0 -41.60-999 ?-999 ?-999 ? O1 2PE A 356s mTYR.A 93 41.17 91.39 12.12 40.86 91.33 13.07 42.89 89.60 11.81 44.06 89.24 11.73 42.53 91.07 11.70 43.51 92.01 12.44 3 0 -42.44-999 ?-999 ?-999 ? O1 2PE A 356s mGLN.A 94 41.89 88.75 11.94 41.02 89.15 12.20 42.04 87.07 10.19 41.70 87.97 9.42 42.12 87.32 11.70 41.10 86.45 12.45 2 0 39.35-999 ?-999 ?-999 ? O1 2PE A 356 mARG~A 95 42.36 85.85 9.79 42.65 85.25 10.53 40.91 85.66 7.80 39.91 85.47 8.48 42.30 85.45 8.39 42.68 83.98 8.23 2 0 37.34-999 ?-999 ?-999 ? O1 2PE A 356 mVAL~A 96 40.86 86.08 6.54 41.77 86.20 6.13 38.73 85.07 5.83 37.52 85.18 5.96 39.60 86.32 5.83 39.85 86.79 4.36 3 0 35.88-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 97 39.34 83.90 5.72 40.33 83.97 5.62 37.83 82.44 7.07 36.70 81.95 7.07 38.60 82.63 5.76 39.53 81.45 5.54 2 0 32.41-999 ?-999 ?-999 ? O1 2PE A 356 mVAL~A 98 38.44 82.86 8.17 39.36 83.21 8.02 36.70 83.86 9.60 35.66 83.59 10.20 37.81 82.82 9.48 38.86 82.97 10.60 3 0 32.78-999 ?-999 ?-999 ? O1 2PE A 356 mILE~A 99 36.89 85.05 9.01 37.80 85.18 8.63 34.64 85.47 8.15 33.48 85.50 8.59 35.81 86.05 8.95 36.28 87.39 8.32 3 0 34.05-999 ?-999 ?-999 ? O1 2PE A 356 mPHE~A 100 34.95 84.92 6.98 35.92 85.00 6.74 33.10 83.27 6.92 31.88 83.35 6.91 33.95 84.26 6.12 34.64 83.58 4.93 3 0 31.04-999 ?-999 ?-999 ? O1 2PE A 356 mLYS~A 101 33.76 82.37 7.65 34.75 82.46 7.60 32.19 81.94 9.55 31.15 81.37 9.87 33.07 81.35 8.45 34.08 80.38 9.05 2 0 28.65-999 ?-999 ?-999 ? O1 2PE A 356 mGLN~A 102 32.58 83.06 10.13 33.48 83.39 9.82 30.48 84.32 10.48 29.40 84.28 11.08 31.74 83.74 11.12 32.52 84.82 11.88 2 0 30.72-999 ?-999 ?-999 ? O1 2PE A 356 mILE~A 103 30.63 84.82 9.26 31.57 84.80 8.92 28.48 84.24 8.20 27.28 84.49 8.25 29.50 85.34 8.50 29.96 86.00 7.17 3 0 30.42-999 ?-999 ?-999 ? O1 2PE A 356 mLEU~A 104 28.96 83.04 7.86 29.96 83.01 7.77 27.36 81.52 8.91 26.17 81.19 8.84 28.12 81.88 7.64 28.95 80.67 7.20 3 0 26.59-999 ?-999 ?-999 ? O1 2PE A 356 mGLY~A 105 28.06 81.56 10.04 29.03 81.74 9.91 26.32 82.34 11.67 25.24 81.93 12.15 27.46 81.38 11.35-999.99-999.99-999.99 1 0 27.04-999 ?-999 ?-999 ? O1 2PE A 356 mVAL~A 106 26.56 83.62 11.39 27.47 83.79 11.02 24.37 84.46 10.73 23.22 84.66 11.16 25.57 84.67 11.63 26.12 86.09 11.37 3 0 29.44-999 ?-999 ?-999 ? O1 2PE A 356 mTYR~A 107 24.65 84.10 9.48 25.62 84.09 9.25 22.79 82.52 9.08 21.56 82.54 9.09 23.57 83.74 8.56 24.13 83.48 7.17 3 0 27.16-999 ?-999 ?-999 ? O1 2PE A 356 mSER~A 108 23.51 81.49 9.52 24.49 81.65 9.49 21.99 80.48 11.21 20.86 80.02 11.25 22.88 80.23 9.99 23.96 79.21 10.35 2 0 24.21-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 109 22.52 81.23 12.17 23.47 81.49 11.99 20.51 82.34 13.02 19.45 82.06 13.56 21.79 81.64 13.38 22.63 82.61 14.22 2 0 26.66-999 ?-999 ?-999 ? O1 2PE A 356 mMETA 110 20.62 83.27 12.09 21.54 83.39 11.71 18.42 83.10 11.02 17.22 83.22 11.31 19.46 84.02 11.68 19.88 85.18 10.79 2 0 27.86-999 ?-999 ?-999 ? O1 2PE A 356 mALA~A 111 18.87 82.20 10.16 19.86 82.25 9.98 17.33 80.29 10.60 16.15 80.01 10.54 17.97 81.23 9.54 18.71 80.41 8.46 2 0 24.43-999 ?-999 ?-999 ? O1 2PE A 356 mALA~A 112 18.13 79.87 11.58 19.05 80.27 11.55 16.62 79.48 13.51 15.70 78.77 13.93 17.70 78.91 12.59 18.92 78.39 13.39 2 0 23.56-999 ?-999 ?-999 ? O1 2PE A 356 mASN~A 113 16.70 80.78 13.76 17.49 81.22 13.32 14.35 81.57 13.99 13.37 81.70 14.71 15.75 81.49 14.60 16.28 82.91 14.89 2 0 24.53-999 ?-999 ?-999 ? O1 SO4 A 360 mVAL~A 114 14.24 81.49 12.66 15.12 81.43 12.18 12.67 80.21 11.23 11.76 80.16 10.40 12.93 81.50 12.01 12.77 82.72 11.08 3 0 22.95-999 ?-999 ?-999 ? O1 SO4 A 360 mALA.A 115 13.45 79.15 11.50 14.22 79.35 12.11 11.73 77.42 11.23 11.16 77.78 12.27 13.17 77.83 10.93 14.14 76.78 11.47 2 0 22.31-999 ?-999 ?-999 ? O1 2PE A 356 mTHR.A 116 11.16 76.66 10.31 11.75 76.45 9.53 9.76 74.86 9.64 10.61 74.65 8.80 9.79 76.17 10.41 8.82 77.21 9.80 2 0 20.25-999 ?-999 ?-999 ? O1 SO4 A 360 mILE.A 117 8.80 73.99 9.93 8.14 74.30 10.62 8.50 72.88 7.76 7.61 73.62 7.36 8.74 72.68 9.26 7.64 71.78 9.83 3 0 18.80-999 ?-999 ?-999 ? O1 2PE A 356 mSER.A 118 9.32 72.21 6.96 9.98 71.64 7.45 8.70 71.00 4.91 8.95 69.92 5.44 9.26 72.30 5.50 10.66 72.58 4.94 2 0 16.96-999 ?-999 ?-999 ? O1 2PE A 356 mGLY.A 119 7.95 71.15 3.82 7.71 72.10 3.64 8.26 69.90 1.68 7.86 69.12 0.82 7.49 70.04 2.98-999.99-999.99-999.99 1 0 15.37-999 ?-999 ?-999 ? O13 2PE A 356 mGLU.A 120 9.38 70.62 1.53 9.58 71.23 2.30 10.90 69.14 0.25 11.26 68.55 1.27 10.22 70.51 0.33 11.31 71.58 0.31 2 0 14.43-999 ?-999 ?-999 ? O1 2PE A 356 mASN.A 121 11.08 68.65 -0.98 10.80 69.27 -1.71 13.10 67.12 -0.77 13.53 65.98 -0.60 11.65 67.32 -1.21 11.52 66.89 -2.68 2 0 11.22-999 ?-999 ?-999 ? O1 2PE A 356 mASP.A 122 13.85 68.20 -0.58 13.39 69.07 -0.79 15.40 68.19 1.41 16.53 68.25 1.90 15.24 68.11 -0.12 16.10 69.16 -0.82 2 0 10.29-999 ?-999 ?-999 ? O1 2PE A 356 mLYS.A 123 14.29 68.22 2.15 13.45 68.20 1.61 13.81 66.93 4.14 13.10 66.20 3.45 14.29 68.26 3.61 13.35 69.36 4.09 2 0 10.86-999 ?-999 ?-999 ? O1 2PE A 356 mSER.A 124 14.16 66.61 5.39 14.72 67.30 5.86 12.24 65.22 5.96 11.52 66.21 6.16 13.75 65.35 5.99 14.24 65.24 7.45 2 0 9.42-999 ?-999 ?-999 ? O1 2PE A 356 mSER^A 125 11.74 64.01 5.68 12.42 63.34 5.35 9.98 63.84 7.34 10.77 63.45 8.19 10.32 63.72 5.86 9.95 62.32 5.33 2 0 9.81-999 ?-999 ?-999 ? O13 2PE A 356 mVAL^A 126 8.81 64.40 7.64 8.30 64.73 6.85 7.18 63.52 9.19 6.14 63.66 8.53 8.35 64.50 9.03 7.94 65.94 9.41 3 0 12.91-999 ?-999 ?-999 ? O13 2PE A 356 mVAL^A 127 7.40 62.49 10.02 8.31 62.50 10.44 6.03 61.54 11.77 6.87 61.33 12.65 6.41 61.46 10.29 6.95 60.06 9.93 3 0 12.95-999 ?-999 ?-999 ? O13 2PE A 356 mILE^A 128 4.76 61.84 12.04 4.17 61.92 11.24 3.43 60.83 13.84 2.45 60.53 13.15 4.30 62.03 13.44 3.52 63.33 13.60 3 0 11.89-999 ?-999 ?-999 ? MG MG A 501 mPHE^A 129 3.83 60.14 14.90 4.74 60.40 15.23 2.21 59.76 16.66 2.74 60.50 17.50 3.02 59.10 15.55 3.86 57.97 16.15 3 0 8.87-999 ?-999 ?-999 ? MG MG A 501 mTHR^A 130 0.92 59.45 16.69 0.65 58.80 15.98 -1.23 59.13 17.73 -1.49 58.38 16.80 0.01 60.02 17.66 -0.37 61.48 17.27 2 0 7.77-999 ?-999 ?-999 ? MG MG A 501 mSER.A 131 -1.94 59.18 18.85 -1.57 59.79 19.56 -3.99 58.88 20.15 -3.45 59.15 21.23 -3.15 58.39 18.99 -2.82 56.90 19.22 2 0 7.16-999 ?-999 ?-999 ? O2B ATP A 500 mPRO.A 132 -5.32 58.97 19.94 -5.63 58.86 18.99 -6.49 57.97 21.93 -7.15 58.09 22.96 -6.22 59.20 21.09 -7.53 59.65 20.43 3 0 7.94-999 ?-999 ?-999 ? O1G ATP A 500 mCYH.A 133 -6.02 56.80 21.51 -5.52 56.85 20.64 -5.07 55.30 23.20 -3.96 54.91 22.77 -6.23 55.55 22.25 -6.30 54.37 21.26 2 0 6.64-999 ?-999 ?-999 ? O1G ATP A 500 mGLY.A 134 -5.29 55.45 24.50 -6.24 55.66 24.74 -3.67 53.88 25.51 -4.45 52.90 25.34 -4.20 55.31 25.45-999.99-999.99-999.99 1 0 -3.51-999 ?-999 ?-999 ? O1G ATP A 500s mGLY.A 135 -2.35 53.77 25.70 -1.88 54.64 25.65 -1.72 51.40 24.88 -1.45 50.17 25.14 -1.67 52.47 25.96-999.99-999.99-999.99 1 0 -3.38-999 ?-999 ?-999 ? O2B ATP A 500s mVAL.A 136 -2.05 51.84 23.65 -2.22 52.82 23.58 -0.81 50.57 21.93 -0.72 49.70 21.09 -2.15 50.90 22.53 -3.14 51.35 21.41 3 0 -4.01-999 ?-999 ?-999 ? O2B ATP A 500s mGLY~A 137 0.25 51.25 22.40 0.02 51.97 23.05 2.18 51.99 21.03 3.21 51.70 20.39 1.60 50.99 21.99-999.99-999.99-999.99 1 0 -3.26-999 ?-999 ?-999 ? O3A ATP A 500s mTHR~A 138 1.54 53.16 20.91 0.74 53.29 21.49 3.50 54.49 20.10 4.22 54.45 19.09 2.00 54.17 19.99 1.16 55.47 20.13 2 0 -3.99-999 ?-999 ?-999 ? O1B ATP A 500s mSER~A 139 3.97 54.77 21.32 3.29 54.73 22.05 6.33 53.91 21.15 7.38 54.08 20.50 5.39 55.09 21.51 5.61 55.57 22.95 2 0 3.65-999 ?-999 ?-999 ? O1B ATP A 500s mTHR~A 140 5.93 52.70 21.52 5.06 52.70 22.01 6.84 51.33 19.69 7.93 51.10 19.17 6.72 51.50 21.20 6.10 50.29 21.85 2 0 -3.70-999 ?-999 ?-999 ? O2A ATP A 500s mVAL~A 141 5.71 51.48 18.99 4.92 51.69 19.56 6.48 52.42 16.83 7.16 52.15 15.86 5.66 51.33 17.52 4.20 51.32 17.03 3 0 6.54-999 ?-999 ?-999 ? O2A ATP A 500 mALA~A 142 6.48 53.63 17.36 5.88 53.71 18.16 8.78 54.43 16.99 9.57 54.65 16.08 7.28 54.72 16.82 6.90 56.07 17.48 2 0 7.99-999 ?-999 ?-999 ? O2A ATP A 500 mALA~A 143 9.16 53.94 18.16 8.44 53.86 18.84 10.93 52.41 17.49 11.99 52.43 16.90 10.55 53.57 18.39 10.81 53.24 19.88 2 0 8.38-999 ?-999 ?-999 ? O2A ATP A 500 mALA~A 144 10.06 51.42 17.38 9.23 51.53 17.93 10.51 50.68 15.05 11.34 50.10 14.35 10.32 50.27 16.51 9.22 49.24 16.63 2 0 9.60-999 ?-999 ?-999 ? N7 ATP A 500 mCYH~A 145 9.76 51.70 14.63 9.15 52.08 15.32 11.13 52.88 13.01 11.75 52.67 11.96 9.81 52.20 13.27 8.70 53.19 13.03 2 0 11.93-999 ?-999 ?-999 ? O2A ATP A 500 mALA~A 146 11.55 53.71 13.97 10.91 53.83 14.73 13.96 53.34 13.72 14.76 53.43 12.78 12.85 54.38 13.88 13.09 55.24 15.08 2 0 12.70-999 ?-999 ?-999 ? C8 2PE A 356 mILE~A 147 13.97 52.33 14.58 13.26 52.38 15.28 14.88 50.52 13.11 15.91 50.29 12.48 14.96 51.25 14.47 14.84 50.21 15.62 3 0 12.75-999 ?-999 ?-999 ? C8 2PE A 356 mALA~A 148 13.67 50.19 12.68 12.94 50.48 13.29 13.98 50.22 10.23 14.60 49.65 9.34 13.42 49.46 11.42 11.91 49.24 11.24 2 0 10.23-999 ?-999 ?-999 ? C8 2PE A 356 mHIS~A 149 13.77 51.52 10.22 13.27 51.85 11.02 15.73 52.58 9.23 16.39 52.59 8.19 14.22 52.38 9.15 13.46 53.70 9.23 3 0 7.56-999 ?-999 ?-999 ? C8 2PE A 356 mALA~A 150 16.27 52.74 10.44 15.60 52.86 11.17 18.37 51.44 10.10 19.40 51.48 9.40 17.75 52.72 10.63 18.11 52.90 12.10 2 0 8.57-999 ?-999 ?-999 ? C6 2PE A 356 mASN~A 151 17.75 50.31 10.42 16.96 50.43 11.02 18.26 48.94 8.41 19.13 48.26 7.87 18.19 49.01 9.94 17.31 47.87 10.47 2 0 8.69-999 ?-999 ?-999 ? C6 2PE A 356 mMETA 152 17.36 49.65 7.73 16.70 50.14 8.29 18.46 50.61 5.66 18.71 50.55 4.47 17.39 49.69 6.26 16.03 50.09 5.72 2 0 -5.20-999 ?-999 ?-999 ? C6 2PE A 356s mGLY~A 153 19.07 51.47 6.48 18.77 51.41 7.43 19.62 53.86 5.99 20.31 54.72 5.44 20.08 52.42 6.01-999.99-999.99-999.99 1 0 4.44-999 ?-999 ?-999 ? C6 2PE A 356 mLYS.A 154 18.46 54.14 6.57 17.97 53.35 6.94 18.68 56.25 7.80 18.98 55.65 8.82 17.98 55.52 6.65 16.47 55.56 6.83 2 0 -4.71-999 ?-999 ?-999 ? C3 2PE A 356s mLYS.A 155 18.95 57.53 7.60 18.83 57.83 6.65 18.14 58.97 9.33 17.44 59.83 8.76 19.39 58.42 8.67 20.28 59.53 8.12 2 0 6.88-999 ?-999 ?-999 ? C3 2PE A 356 mVAL^A 156 17.85 58.46 10.52 18.59 57.90 10.89 16.82 59.52 12.47 17.73 59.20 13.25 16.58 58.71 11.22 15.87 57.39 11.63 3 0 9.71-999 ?-999 ?-999 ? C3 2PE A 356 mPHE^A 157 16.02 60.58 12.63 15.49 60.82 11.82 14.62 60.99 14.60 13.57 60.95 13.97 15.96 61.30 13.89 16.13 62.82 13.68 3 0 13.09-999 ?-999 ?-999 ? O1 2PE A 356 mTYR^A 158 14.68 60.83 15.91 15.59 61.03 16.27 13.34 61.49 17.78 14.25 61.78 18.54 13.55 60.41 16.75 13.87 59.08 17.44 3 0 13.30-999 ?-999 ?-999 ? MG MG A 501 mLEU^A 159 12.15 62.07 17.81 11.49 61.68 17.17 10.60 62.78 19.53 9.60 62.34 18.97 11.83 63.18 18.71 11.58 64.44 17.85 3 0 12.02-999 ?-999 ?-999 ? MG MG A 501 mASN^A 160 10.70 62.87 20.85 11.57 63.25 21.17 9.23 63.64 22.53 10.05 64.18 23.28 9.63 62.45 21.74 10.07 61.31 22.67 2 0 8.84-999 ?-999 ?-999 ? MG MG A 501 mILE.A 161 7.97 64.04 22.38 7.41 63.43 21.82 6.40 65.00 24.04 5.65 65.89 24.42 7.47 65.29 22.97 6.92 66.23 21.86 3 0 9.40-999 ?-999 ?-999 ? MG MG A 501 mGLU.A 162 6.33 63.76 24.52 6.89 63.10 24.03 6.08 63.89 26.99 7.30 63.76 27.21 5.47 63.44 25.68 5.27 61.94 25.82 2 0 6.96-999 ?-999 ?-999 ? MG MG A 501s mGLN.A 163 5.21 64.32 27.90 4.26 64.32 27.60 6.41 63.64 29.97 7.52 63.85 30.47 5.65 64.76 29.23 4.46 65.26 30.05 2 0 9.54-999 ?-999 ?-999 ? MG MG A 501 mCYH.A 164 5.82 62.45 29.96 4.95 62.42 29.48 6.89 60.33 29.54 6.76 59.11 29.68 6.41 61.29 30.60 5.39 60.62 31.53 2 0 7.78-999 ?-999 ?-999 ? O3G ATP A 500 mGLY.A 165 7.52 60.88 28.50 7.62 61.88 28.56 9.08 59.11 27.85 9.80 59.37 28.81 8.03 60.09 27.39-999.99-999.99-999.99 1 0 6.65-999 ?-999 ?-999 ? MG MG A 501 mTHR~A 166 9.18 58.00 27.14 8.62 58.00 26.31 11.26 56.69 26.61 11.79 55.54 26.48 10.04 56.89 27.53 9.16 55.60 27.64 2 0 7.38-999 ?-999 ?-999 ? O1A ATP A 500 mTHR~A 167 11.75 57.80 26.04 11.25 58.63 26.28 14.07 56.99 25.74 14.66 56.17 25.05 12.92 57.79 25.15 13.42 59.22 24.87 2 0 9.96-999 ?-999 ?-999 ? MG MG A 501 mASP~A 168 14.38 57.23 27.02 13.75 57.87 27.47 15.32 55.11 27.95 16.29 54.39 28.15 15.52 56.60 27.68 15.85 57.31 28.98 2 0 12.25-999 ?-999 ?-999 ? O1A ATP A 500 mVAL~A 169 14.08 54.63 27.94 13.36 55.32 27.91 14.26 52.55 26.67 14.84 51.46 26.66 13.87 53.18 28.00 12.41 52.77 28.41 3 0 10.10-999 ?-999 ?-999 ? O1A ATP A 500 mPHE~A 170 13.95 53.22 25.57 13.60 54.15 25.75 15.53 52.84 23.70 16.01 51.94 23.04 14.11 52.66 24.23 13.19 53.35 23.20 3 0 9.85-999 ?-999 ?-999 ? O2A ATP A 500 mPHE~A 171 16.14 54.01 23.93 15.60 54.63 24.51 18.43 54.77 24.50 18.02 55.45 25.46 17.47 54.35 23.39 17.37 55.49 22.37 3 0 13.34-999 ?-999 ?-999 ? O2A ATP A 500 mGLN.A 172 19.68 54.33 24.38 19.81 53.75 23.58 22.00 55.12 24.58 22.28 54.60 23.51 20.76 54.69 25.32 21.12 53.50 26.22 2 0 16.71-999 ?-999 ?-999 ? O2A ATP A 500 mALA.A 173 22.72 56.08 25.14 22.33 56.41 26.00 24.75 57.33 25.61 24.17 57.91 26.53 23.95 56.58 24.55 23.64 57.51 23.39 2 0 20.13-999 ?-999 ?-999 ? O2A ATP A 500 mGLU.A 174 26.07 57.33 25.48 26.41 56.74 24.74 26.61 59.60 26.13 26.16 59.99 25.06 26.93 58.12 26.34 28.41 57.85 26.03 2 0 23.51-999 ?-999 ?-999 ? O2A ATP A 500 mGLY.A 175 26.80 60.42 27.15 27.04 59.94 28.00 25.73 62.43 28.07 24.75 61.80 28.42 26.66 61.86 27.03-999.99-999.99-999.99 1 0 24.27-999 ?-999 ?-999 ? MG MG A 501 mASN.A 176 26.02 63.64 28.54 26.85 64.04 28.13 24.19 65.32 28.99 23.38 65.84 29.75 25.21 64.32 29.56 26.11 64.99 30.60 2 0 23.93-999 ?-999 ?-999 ? MG MG A 501 mALA.A 177 24.24 65.60 27.69 24.98 65.14 27.20 21.89 65.83 26.97 21.80 64.67 26.55 23.25 66.50 27.06 23.70 66.90 25.67 2 0 22.49-999 ?-999 ?-999 ? MG MG A 501 mTHR~A 178 20.84 66.55 27.35 21.08 67.45 27.72 18.62 67.06 26.46 19.11 68.12 26.08 19.47 66.05 27.23 18.83 65.78 28.60 2 0 18.97-999 ?-999 ?-999 ? MG MG A 501 mMETA 179 17.36 66.70 26.23 17.19 65.75 26.46 16.18 68.91 26.52 15.73 69.93 26.00 16.34 67.62 25.69 14.99 66.89 25.64 2 0 17.03-999 ?-999 ?-999 ? MG MG A 501 mSER~A 180 16.52 68.88 27.81 16.78 67.98 28.15 17.42 71.18 28.04 17.08 72.35 28.05 16.50 70.10 28.61 16.91 69.80 30.04 2 0 19.24-999 ?-999 ?-999 ? MG MG A 501 mASP~A 181 18.58 70.75 27.54 18.71 69.76 27.63 19.07 72.18 25.62 19.22 73.38 25.34 19.57 71.64 26.94 20.89 70.89 26.72 2 0 22.20-999 ?-999 ?-999 ? MG MG A 501 mVAL~A 182 18.44 71.31 24.84 18.47 70.37 25.17 16.75 72.79 23.89 16.78 73.84 23.24 17.77 71.68 23.60 17.07 70.43 22.95 3 0 20.74-999 ?-999 ?-999 ? MG MG A 501 mILE~A 183 15.89 72.58 24.89 16.00 71.71 25.37 15.50 74.89 25.65 15.06 75.96 25.21 14.86 73.58 25.22 13.87 73.08 26.33 3 0 20.31-999 ?-999 ?-999 ? MG MG A 501 mTYR~A 184 16.54 74.82 26.48 16.81 73.89 26.75 17.75 76.81 25.75 17.50 78.01 25.65 17.21 76.01 26.95 18.33 75.68 27.95 3 0 23.80-999 ?-999 ?-999 ? MG MG A 501 mSER~A 185 18.46 76.14 24.85 18.59 75.17 25.08 17.91 77.45 22.80 18.12 78.55 22.31 18.99 76.79 23.64 19.72 75.78 22.77 2 0 25.35-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 186 16.75 76.79 22.64 16.73 75.90 23.08 15.00 78.59 22.52 14.44 79.41 21.83 15.63 77.37 21.88 14.51 76.35 21.70 3 0 22.58-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS~A 187 15.05 78.66 23.84 15.51 77.90 24.29 15.44 80.94 24.75 15.01 82.10 24.76 14.46 79.78 24.56 13.88 79.32 25.89 2 0 21.93-999 ?-999 ?-999 ? O1 SO4 A 360 mSER~A 188 16.72 80.66 24.93 16.94 79.68 24.98 17.88 82.32 23.63 18.36 81.63 22.73 17.70 81.73 25.03 19.04 81.22 25.58 2 0 25.56-999 ?-999 ?-999 ? O1 SO4 A 360 mARG.A 189 17.47 83.56 23.42 16.99 83.97 24.20 19.25 84.47 21.96 19.74 85.61 21.99 17.73 84.25 22.15 16.96 85.58 22.11 2 0 26.13-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS.A 190 19.98 83.36 21.75 19.42 82.55 21.59 22.02 82.72 20.47 21.31 82.05 19.73 21.45 83.33 21.76 21.95 82.51 22.95 2 0 29.40-999 ?-999 ?-999 ? O1 SO4 A 360 mALA.A 191 23.31 82.94 20.25 23.78 83.35 21.03 24.40 81.15 18.94 24.39 80.46 19.96 23.98 82.61 18.98 25.19 83.52 18.76 2 0 30.76-999 ?-999 ?-999 ? O1 2PE A 356 mASN~A 192 24.81 80.72 17.75 24.83 81.45 17.06 24.12 78.30 17.72 24.41 77.19 18.16 25.19 79.33 17.44 26.49 78.97 18.18 2 0 27.60-999 ?-999 ?-999 ? O1 2PE A 356 mLEU~A 193 22.87 78.65 17.44 22.78 79.55 17.00 21.90 76.39 17.18 21.71 75.39 17.88 21.74 77.78 17.76 20.41 78.37 17.32 3 0 25.87-999 ?-999 ?-999 ? O1 2PE A 356 mLEU~A 194 22.24 76.33 15.90 22.47 77.21 15.49 23.43 74.19 15.68 23.29 72.97 15.77 22.28 75.07 15.19 22.33 75.30 13.69 3 0 22.30-999 ?-999 ?-999 ? O1 2PE A 356 mLEU~A 195 24.55 74.81 16.03 24.55 75.80 15.88 25.35 73.56 18.00 25.70 72.43 18.34 25.68 74.06 16.60 26.96 74.89 16.63 3 0 23.41-999 ?-999 ?-999 ? O1 2PE A 356 mLYS~A 196 24.68 74.39 18.80 24.54 75.30 18.41 23.29 72.77 20.04 23.49 71.77 20.74 24.22 73.97 20.13 23.53 75.13 20.85 2 0 25.39-999 ?-999 ?-999 ? O1 2PE A 356 mLEU~A 197 22.30 72.85 19.15 22.26 73.72 18.66 22.07 70.47 18.50 21.75 69.39 19.00 21.36 71.75 18.93 20.29 72.13 17.88 3 0 22.51-999 ?-999 ?-999 ? O1 2PE A 356 mGLU~A 198 23.06 70.60 17.61 23.22 71.54 17.30 24.65 68.81 18.25 24.79 67.60 18.28 23.83 69.44 17.15 24.74 69.80 15.96 2 0 20.35-999 ?-999 ?-999 ? O1 2PE A 356 mSER~A 199 25.17 69.61 19.17 25.02 70.59 19.01 25.04 68.23 21.25 25.58 67.43 22.00 25.91 69.08 20.30 26.59 70.20 21.09 2 0 23.26-999 ?-999 ?-999 ? C3 2PE A 356 mCYH~A 200 23.73 68.41 21.25 23.41 69.13 20.62 22.45 66.25 21.50 21.87 65.42 22.20 22.85 67.59 22.10 21.59 68.35 22.45 2 0 22.52-999 ?-999 ?-999 ? MG MG A 501 mILE.A 201 22.78 66.04 20.23 23.34 66.76 19.82 23.14 63.63 20.01 24.37 63.67 20.05 22.36 64.84 19.53 22.53 64.95 18.01 3 0 19.67-999 ?-999 ?-999 ? C3 2PE A 356 mLYS^A 202 22.42 62.59 20.39 21.44 62.77 20.41 22.62 60.31 19.64 21.70 60.57 18.84 23.01 61.30 20.72 22.50 60.83 22.08 2 0 19.66-999 ?-999 ?-999 ? C3 2PE A 356 mGLN^A 203 23.31 59.19 19.61 24.01 59.10 20.31 22.91 56.79 19.24 23.82 56.31 19.91 23.04 58.17 18.61 24.14 58.18 17.55 2 0 17.07-999 ?-999 ?-999 ? C3 2PE A 356 mSER.A 204 21.78 56.13 18.99 21.17 56.58 18.33 22.41 53.79 19.12 23.09 54.00 18.12 21.49 54.87 19.66 20.03 54.47 19.45 2 0 17.77-999 ?-999 ?-999 ? C3 2PE A 356 mGLN.A 205 22.41 52.63 19.76 21.82 52.62 20.58 22.84 51.08 17.85 23.68 50.60 17.12 23.20 51.48 19.29 23.04 50.28 20.24 2 0 18.02-999 ?-999 ?-999 ? C6 2PE A 356 mGLU.A 206 21.59 51.30 17.45 21.00 51.73 18.13 21.19 52.11 15.08 20.70 51.97 13.96 21.15 50.94 16.09 19.79 50.24 16.11 2 0 14.47-999 ?-999 ?-999 ? C6 2PE A 356 mGLY.A 207 21.80 53.23 15.46 22.10 53.24 16.41 20.94 55.40 14.49 21.00 56.31 13.67 22.01 54.33 14.53-999.99-999.99-999.99 1 0 12.92-999 ?-999 ?-999 ? C3 2PE A 356 mVAL.A 208 19.97 55.31 15.40 20.03 54.51 16.00 19.44 57.50 16.25 20.00 57.34 17.32 18.91 56.30 15.49 17.68 55.75 16.22 3 0 13.37-999 ?-999 ?-999 ? C3 2PE A 356 mSER^A 209 19.29 58.69 15.68 18.89 58.67 14.76 18.50 60.44 17.13 17.33 60.23 16.74 19.69 59.91 16.35 20.22 60.94 15.37 2 0 14.69-999 ?-999 ?-999 ? C3 2PE A 356 mTYR^A 210 18.81 61.05 18.28 19.78 61.14 18.46 18.32 62.49 20.23 19.55 62.69 20.33 17.76 61.54 19.18 17.07 60.36 19.86 3 0 16.18-999 ?-999 ?-999 ? MG MG A 501 mPHE.A 211 17.42 63.08 21.02 16.47 62.96 20.72 17.28 62.99 23.36 16.13 62.57 23.32 17.81 63.82 22.21 17.14 65.18 22.27 3 0 16.35-999 ?-999 ?-999 ? MG MG A 501 mSER.A 212 18.10 62.75 24.38 19.03 63.12 24.30 16.57 62.79 26.32 16.42 64.01 26.14 17.61 61.98 25.53 18.76 61.48 26.41 2 0 15.43-999 ?-999 ?-999 ? MG MG A 501 mSER.A 213 15.83 62.10 27.19 16.09 61.14 27.30 15.20 63.90 28.74 16.30 63.90 29.27 14.75 62.71 27.91 14.06 61.69 28.79 2 0 13.51-999 ?-999 ?-999 ? MG MG A 501 mTHR.A 214 14.33 64.90 28.90 13.47 64.78 28.39 15.03 65.57 31.15 14.60 64.52 31.59 14.63 66.06 29.76 13.45 67.03 29.87 2 0 15.68-999 ?-999 ?-999 ? MG MG A 501 mLYS.A 215 15.88 66.33 31.84 16.10 67.19 31.38 15.28 65.61 34.14 15.30 64.60 34.82 16.41 65.92 33.15 17.34 67.00 33.71 2 0 18.36-999 ?-999 ?-999 ? MG MG A 501 mVAL~A 216 14.27 66.49 34.17 14.48 67.35 33.71 11.86 66.36 33.82 12.00 67.12 32.86 12.99 66.17 34.83 12.76 67.00 36.12 3 0 16.97-999 ?-999 ?-999 ? O3G ATP A 500 mALA~A 217 10.77 65.62 34.02 10.79 65.08 34.86 9.01 67.00 32.90 8.59 67.35 31.80 9.64 65.61 33.06 8.58 64.62 33.46 2 0 13.67-999 ?-999 ?-999 ? O3G ATP A 500 mLEU~A 218 8.93 67.78 33.97 9.32 67.38 34.79 8.99 70.09 32.94 8.37 71.05 32.47 8.30 69.11 33.89 8.14 69.73 35.29 3 0 15.86-999 ?-999 ?-999 ? O3G ATP A 500 mASP~A 219 10.27 69.85 32.64 10.67 69.08 33.13 10.29 70.85 30.34 10.34 71.93 29.74 11.01 70.69 31.67 12.39 70.10 31.41 2 0 17.45-999 ?-999 ?-999 ? MG MG A 501 mILE~A 220 9.63 69.78 29.88 9.60 69.00 30.50 7.81 70.71 28.49 7.48 71.19 27.42 9.02 69.78 28.56 8.72 68.34 28.06 3 0 14.70-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 221 7.18 71.00 29.62 7.46 70.44 30.40 6.67 73.42 29.22 5.87 74.26 28.86 6.17 72.04 29.71 5.68 72.21 31.14 3 0 -15.56-999 ?-999 ?-999 ? O1 SO4 A 360s mGLU~A 222 7.98 73.65 29.25 8.51 72.90 29.65 8.53 75.01 27.20 8.54 76.12 26.69 8.56 74.89 28.72 10.01 75.06 29.21 2 0 16.87-999 ?-999 ?-999 ? O1 SO4 A 360 mILE~A 223 8.47 73.92 26.47 8.41 73.07 26.99 7.08 74.43 24.48 6.08 73.87 24.89 8.49 74.01 25.00 9.06 72.70 24.36 3 0 15.72-999 ?-999 ?-999 ? O1 SO4 A 360 mSER~A 224 7.02 75.45 23.62 7.89 75.92 23.48 5.61 75.13 21.61 6.51 74.40 21.16 5.77 75.84 22.96 5.73 77.36 22.75 2 0 12.69-999 ?-999 ?-999 ? O1 SO4 A 360 mTYR~A 225 4.47 75.35 20.97 3.80 75.86 21.51 5.19 75.51 18.59 5.76 74.81 17.78 4.24 74.88 19.59 2.81 75.15 19.14 3 0 11.35-999 ?-999 ?-999 ? O1 SO4 A 360 mALA~A 226 5.34 76.82 18.65 4.72 77.28 19.28 7.72 76.86 18.00 8.46 76.72 17.02 6.33 77.52 17.84 6.40 79.01 18.22 2 0 13.97-999 ?-999 ?-999 ? O1 SO4 A 360 mASP~A 227 8.04 76.44 19.22 7.32 76.55 19.91 9.54 74.54 18.85 10.61 74.29 18.30 9.35 75.88 19.51 9.58 75.75 21.02 2 0 16.39-999 ?-999 ?-999 ? O1 SO4 A 360 mILE~A 228 8.51 73.69 18.89 7.71 74.03 19.38 8.73 72.53 16.76 9.52 71.81 16.13 8.58 72.38 18.26 7.36 71.50 18.57 3 0 16.15-999 ?-999 ?-999 ? O1 SO4 A 360 mASP~A 229 7.98 73.48 16.19 7.38 73.97 16.82 9.45 74.21 14.38 10.04 73.69 13.42 8.05 73.76 14.78 7.01 74.83 14.41 2 0 16.60-999 ?-999 ?-999 ? O1 SO4 A 360 mTHR~A 230 9.99 75.15 15.15 9.38 75.50 15.85 12.41 74.51 15.13 13.36 74.40 14.33 11.37 75.62 14.95 11.67 76.74 15.91 2 0 19.51-999 ?-999 ?-999 ? O1 SO4 A 360 mLEU~A 231 12.23 73.66 16.15 11.44 73.86 16.72 13.17 71.57 15.19 14.25 71.21 14.68 13.15 72.54 16.38 12.80 71.80 17.66 3 0 20.05-999 ?-999 ?-999 ? MG MG A 501 mILE~A 232 11.99 71.19 14.71 11.20 71.61 15.16 12.44 70.86 12.35 13.17 70.22 11.60 11.90 70.21 13.62 10.44 69.69 13.40 3 0 18.16-999 ?-999 ?-999 ? O1 2PE A 356 mGLY~A 233 12.07 72.12 12.12 11.39 72.47 12.76 14.14 72.92 11.04 14.79 72.70 10.04 12.62 72.91 11.00-999.99-999.99-999.99 1 0 18.33-999 ?-999 ?-999 ? O1 2PE A 356 mASN~A 234 14.70 73.15 12.23 14.04 73.33 12.95 16.81 71.76 12.23 17.91 71.70 11.69 16.14 73.12 12.43 16.51 73.75 13.78 2 0 18.66-999 ?-999 ?-999 ? O1 2PE A 356 mILE~A 235 16.15 70.68 12.63 15.31 70.89 13.13 16.61 69.04 10.82 17.55 68.41 10.30 16.62 69.33 12.34 15.82 68.27 13.14 3 0 15.70-999 ?-999 ?-999 ? O1 2PE A 356 mGLN~A 236 15.59 69.51 10.11 14.83 69.87 10.66 16.74 70.40 8.10 17.45 70.07 7.14 15.61 69.48 8.64 14.26 69.94 8.07 2 0 13.61-999 ?-999 ?-999 ? O1 2PE A 356 mGLY~A 237 16.92 71.55 8.75 16.26 71.70 9.49 19.39 71.96 8.56 20.32 72.54 8.01 17.98 72.50 8.41-999.99-999.99-999.99 1 0 15.94-999 ?-999 ?-999 ? O1 2PE A 356 mMETA 238 19.55 70.85 9.27 18.72 70.52 9.71 21.27 69.39 8.15 22.41 68.95 8.08 20.86 70.20 9.37 20.91 69.30 10.60 2 0 14.77-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 239 20.37 69.18 7.19 19.47 69.57 7.40 21.43 67.14 6.18 22.37 66.82 5.45 20.68 68.45 5.95 21.45 69.35 4.97 2 0 11.61-999 ?-999 ?-999 ? O1 2PE A 356 mASN~A 240 21.02 66.38 7.19 20.31 66.80 7.75 20.55 63.89 7.51 20.92 62.75 7.24 21.58 65.05 7.45 22.39 65.07 8.73 2 0 9.95-999 ?-999 ?-999 ? O1 2PE A 356 mTYR~A 241 19.30 64.16 7.86 19.07 65.14 7.91 17.40 62.87 6.99 16.90 63.83 6.40 18.35 63.08 8.13 17.63 63.36 9.44 3 0 8.41-999 ?-999 ?-999 ? O1 2PE A 356 mASP~A 242 17.17 61.61 6.65 17.77 60.95 7.09 14.74 61.49 6.30 13.84 61.99 5.62 16.12 61.24 5.70 16.25 59.77 5.36 2 0 -5.58-999 ?-999 ?-999 ? O1 2PE A 356s mGLU^A 243 14.60 61.22 7.60 15.46 61.07 8.08 13.40 61.59 9.70 14.34 61.24 10.41 13.30 61.14 8.25 12.85 59.69 8.19 2 0 8.75-999 ?-999 ?-999 ? O1 2PE A 356 mILE^A 244 12.40 62.35 10.14 11.76 62.62 9.42 10.95 62.06 11.99 9.89 62.29 11.41 12.24 62.74 11.52 12.15 64.28 11.67 3 0 12.46-999 ?-999 ?-999 ? O1 2PE A 356 mILE^A 245 11.07 61.19 13.00 12.02 61.08 13.31 9.60 61.16 14.93 10.44 61.19 15.82 9.94 60.48 13.60 10.29 59.01 13.85 3 0 13.08-999 ?-999 ?-999 ? MG MG A 501 mVAL^A 246 8.38 61.70 15.04 7.78 61.52 14.26 6.86 61.73 16.96 5.87 61.33 16.35 7.97 62.47 16.20 7.43 63.85 15.79 3 0 10.82-999 ?-999 ?-999 ? MG MG A 501 mASP^A 247 7.03 61.53 18.27 7.91 61.87 18.62 5.28 62.03 19.80 5.86 62.69 20.65 6.01 60.88 19.10 6.68 59.89 20.08 2 0 7.00-999 ?-999 ?-999 ? MG MG A 501 mLEU~A 248 4.06 62.32 19.38 3.68 61.63 18.76 2.04 63.18 20.52 1.23 62.47 19.94 3.36 63.56 19.82 3.08 64.47 18.62 3 0 7.80-999 ?-999 ?-999 ? MG MG A 501 mPRO~A 249 1.84 63.64 21.77 2.58 64.17 22.18 -0.60 63.90 21.64 -0.56 65.10 21.25 0.56 63.32 22.43 0.68 64.00 23.80 3 0 6.88-999 ?-999 ?-999 ? O2G ATP A 500 mPHE~A 250 -1.59 63.07 21.35 -1.45 62.12 21.65 -3.67 64.42 21.51 -3.92 64.12 22.67 -2.76 63.54 20.63 -3.61 62.40 20.10 3 0 8.95-999 ?-999 ?-999 ? O2G ATP A 500 mSER~A 251 -4.21 65.47 20.91 -3.77 65.74 20.05 -6.02 67.00 20.40 -5.45 67.19 19.33 -5.34 66.17 21.49 -4.90 67.08 22.65 2 0 8.87-999 ?-999 ?-999 ? O2 SO4 A 360 mLEU~A 252 -7.22 67.49 20.70 -7.51 67.30 21.63 -7.78 69.75 19.76 -8.40 70.48 19.00 -8.02 68.24 19.73 -9.52 67.94 19.92 3 0 6.22-999 ?-999 ?-999 ? O2 SO4 A 360 mGLU~A 253 -6.84 70.23 20.59 -6.42 69.54 21.18 -6.04 72.13 19.21 -5.23 71.47 18.56 -6.50 71.66 20.60 -5.41 71.99 21.64 2 0 -3.35-999 ?-999 ?-999 ? O2 SO4 A 360s mILE~A 254 -6.57 73.26 18.77 -7.17 73.71 19.43 -4.83 73.89 17.09 -4.42 73.57 15.97 -6.32 73.79 17.42 -7.01 75.16 17.23 3 0 -3.61-999 ?-999 ?-999 ? O2 SO4 A 360s mGLU~A 255 -4.04 74.35 18.06 -4.50 74.57 18.92 -1.92 73.15 17.72 -1.01 73.00 16.93 -2.61 74.50 17.84 -1.96 75.36 18.93 2 0 5.95-999 ?-999 ?-999 ? O1 SO4 A 360 mLYS~A 256 -2.38 72.16 18.47 -3.08 72.43 19.13 -2.15 70.31 16.89 -1.25 69.82 16.21 -1.86 70.79 18.31 -2.49 69.82 19.31 2 0 7.70-999 ?-999 ?-999 ? O1 SO4 A 360 mLEU~A 257 -3.38 70.51 16.44 -3.98 71.00 17.08 -3.12 70.79 13.96 -2.86 70.18 12.93 -3.80 70.05 15.11 -5.32 70.07 14.95 3 0 8.20-999 ?-999 ?-999 ? O2 SO4 A 360 mLYS~A 258 -2.81 72.08 14.13 -3.18 72.48 14.97 -0.57 72.28 13.01 -0.04 72.17 11.89 -1.99 72.82 13.15 -1.94 74.31 13.46 2 0 9.74-999 ?-999 ?-999 ? O2 SO4 A 360 mLEU~A 259 0.05 71.93 14.13 -0.46 72.18 14.96 1.23 69.91 13.43 1.98 69.64 12.49 1.35 71.25 14.14 1.85 71.05 15.56 3 0 11.95-999 ?-999 ?-999 ? O2 SO4 A 360 mLEU~A 260 0.26 69.10 13.84 -0.27 69.46 14.61 -0.16 67.88 11.69 0.34 67.03 10.96 0.02 67.79 13.20 -1.21 67.10 13.78 3 0 12.85-999 ?-999 ?-999 ? O2 SO4 A 360 mSER~A 261 -0.85 68.93 11.24 -1.19 69.54 11.96 0.16 69.47 9.01 0.08 69.49 7.80 -1.09 69.16 9.83 -2.09 70.30 9.64 2 0 13.82-999 ?-999 ?-999 ? O2 SO4 A 360 mLYS~A 262 1.29 69.71 9.66 1.18 69.70 10.65 3.38 68.69 8.72 4.41 68.71 8.05 2.58 69.95 8.96 3.41 70.96 9.75 2 0 16.41-999 ?-999 ?-999 ? O2 SO4 A 360 mALA~A 263 2.89 67.59 9.28 2.10 67.75 9.86 3.30 65.91 7.61 2.29 66.23 6.99 3.48 66.28 9.06 2.81 65.25 9.95 2 0 16.41-999 ?-999 ?-999 ? O13 2PE A 356 mTRP~A 264 4.30 65.24 7.07 5.11 65.18 7.65 3.35 63.38 5.80 2.61 63.11 4.89 4.22 64.65 5.74 5.60 64.26 5.23 3 0 13.39-999 ?-999 ?-999 ? O13 2PE A 356 mARG^A 265 3.48 62.61 6.88 4.27 62.85 7.44 2.28 61.41 8.71 3.19 61.57 9.52 2.56 61.52 7.20 3.10 60.20 6.68 2 0 13.52-999 ?-999 ?-999 ? O13 2PE A 356 mILE^A 266 1.02 61.11 9.06 0.41 61.06 8.27 0.28 59.38 10.59 -0.45 58.79 9.79 0.57 60.88 10.44 -0.68 61.70 10.76 3 0 14.47-999 ?-999 ?-999 ? MG MG A 501 mILE^A 267 0.87 58.74 11.58 1.48 59.29 12.15 -0.12 57.26 13.11 0.38 57.73 14.14 0.62 57.35 11.80 1.89 56.52 11.86 3 0 12.25-999 ?-999 ?-999 ? O2B ATP A 500 mVAL^A 268 -1.34 56.68 13.05 -1.63 56.41 12.13 -2.18 54.98 14.57 -2.26 54.14 13.68 -2.15 56.47 14.23 -3.58 57.06 14.05 3 0 9.94-999 ?-999 ?-999 ? O2B ATP A 500 mVAL^A 269 -2.09 54.67 15.86 -2.11 55.48 16.46 -3.22 53.02 17.18 -3.76 53.90 17.86 -1.98 53.30 16.37 -0.69 53.09 17.17 3 0 7.55-999 ?-999 ?-999 ? O2B ATP A 500 mASN^A 270 -3.73 51.80 17.06 -3.17 51.15 16.54 -4.99 49.93 17.88 -4.36 49.18 17.12 -5.00 51.45 17.63 -6.09 51.95 16.64 2 0 8.28-999 ?-999 ?-999 ? O2B ATP A 500 mASP~A 271 -5.59 49.47 18.97 -6.03 50.16 19.54 -6.85 47.30 18.83 -6.94 46.06 18.94 -5.57 48.02 19.24 -5.20 47.70 20.69 2 0 8.63-999 ?-999 ?-999 ? O3 GOL A 358 mGLY~A 272 -7.82 48.07 18.34 -7.62 49.05 18.32 -10.00 47.07 18.97 -10.97 46.36 18.71 -9.08 47.52 17.87-999.99-999.99-999.99 1 0 6.89-999 ?-999 ?-999 ? O3 GOL A 358 mSER~A 273 -9.73 47.49 20.21 -8.86 47.98 20.29 -11.86 48.11 21.20 -11.89 49.05 20.39 -10.64 47.23 21.33 -9.93 47.45 22.67 2 0 3.50-999 ?-999 ?-999 ? O3 GOL A 358s mGLN~A 274 -12.90 47.81 21.98 -12.76 47.02 22.58 -13.85 50.06 22.35 -14.34 51.02 21.73 -14.12 48.60 21.92 -15.23 47.99 22.78 2 0 -3.20-999 ?-999 ?-999 ? O1 GOL A 358s mLEU~A 275 -13.09 50.22 23.43 -12.74 49.38 23.83 -11.86 52.31 23.04 -12.05 53.49 22.76 -12.83 51.58 23.95 -12.35 51.55 25.40 3 0 3.81-999 ?-999 ?-999 ? O1 GOL A 358s mSER~A 276 -10.86 51.60 22.52 -10.79 50.65 22.83 -10.68 52.72 20.31 -10.54 53.89 19.92 -9.96 52.23 21.56 -8.81 51.30 21.20 2 0 6.03-999 ?-999 ?-999 ? O1 GOL A 358 mASN~A 277 -11.45 51.82 19.70 -11.46 50.92 20.13 -13.14 53.33 18.73 -13.22 54.23 17.91 -12.22 52.16 18.49 -13.04 50.95 17.99 2 0 7.55-999 ?-999 ?-999 ? O1 GOL A 358 mTYR~A 278 -13.82 53.32 19.88 -13.66 52.53 20.46 -13.97 55.72 20.37 -14.40 56.74 19.84 -14.72 54.39 20.23 -15.45 54.07 21.52 3 0 8.18-999 ?-999 ?-999 ? O1 GOL A 358 mLYS~A 279 -12.87 55.71 21.12 -12.66 54.82 21.53 -11.60 57.51 19.97 -11.56 58.73 19.82 -12.06 56.90 21.31 -10.82 56.60 22.19 2 0 -9.47-999 ?-999 ?-999 ? C11 2PE A 357s mPHE~A 280 -11.19 56.65 19.04 -11.30 55.70 19.31 -11.70 57.78 16.93 -11.44 58.87 16.38 -10.65 57.07 17.75 -10.08 55.89 16.93 3 0 8.66-999 ?-999 ?-999 ? C9 2PE A 357 mMETA 281 -12.85 57.14 16.79 -12.87 56.23 17.21 -14.48 59.05 16.79 -15.00 59.96 16.11 -13.97 57.74 16.09 -15.14 56.76 16.02 2 0 -5.03-999 ?-999 ?-999 ? C11 2PE A 357s mARG~A 282 -14.36 59.14 18.11 -14.07 58.29 18.57 -13.66 61.47 18.31 -14.08 62.55 17.95 -14.66 60.42 18.79 -14.68 60.31 20.32 2 0 5.56-999 ?-999 ?-999 ? C11 2PE A 357 mALA~A 283 -12.38 61.13 18.28 -12.22 60.22 18.66 -11.59 62.37 16.24 -11.67 63.54 15.89 -11.33 62.03 17.72 -9.92 61.45 17.88 2 0 8.02-999 ?-999 ?-999 ? C9 2PE A 357 mTYR~A 284 -11.76 61.34 15.42 -11.69 60.45 15.87 -13.18 62.48 13.72 -13.07 63.34 12.85 -12.03 61.50 13.99 -12.37 60.15 13.41 3 0 5.64-999 ?-999 ?-999 ? C9 2PE A 357 mGLU~A 285 -14.30 62.31 14.42 -14.26 61.57 15.09 -15.16 64.62 14.41 -15.57 65.45 13.60 -15.47 63.15 14.20 -16.62 62.73 15.10 2 0 -3.41-999 ?-999 ?-999 ? O7 2PE A 357s mSER~A 286 -14.42 64.93 15.48 -14.14 64.15 16.03 -12.92 66.84 14.89 -12.88 68.03 14.59 -14.05 66.32 15.78 -13.70 66.50 17.27 2 0 6.58-999 ?-999 ?-999 ? C5 2PE A 357 mVAL~A 287 -12.00 65.98 14.46 -12.06 65.07 14.87 -11.68 66.86 12.19 -11.38 67.94 11.69 -10.99 66.39 13.48 -9.94 65.31 13.20 3 0 7.83-999 ?-999 ?-999 ? C5 2PE A 357 mVAL~A 288 -12.64 66.08 11.70 -12.79 65.24 12.23 -14.04 67.78 10.64 -13.85 68.62 9.78 -13.40 66.41 10.51 -14.49 65.35 10.20 3 0 5.26-999 ?-999 ?-999 ? C5 2PE A 357 mLEU~A 289 -14.78 67.99 11.73 -14.91 67.19 12.31 -14.25 70.40 12.05 -14.47 71.49 11.51 -15.33 69.32 12.03 -16.08 69.33 13.38 3 0 5.97-999 ?-999 ?-999 ? C5 2PE A 357 mLEU~A 290 -13.10 70.11 12.66 -13.05 69.18 13.02 -11.26 71.34 11.45 -10.58 72.36 11.31 -12.03 71.11 12.77 -11.07 70.79 13.91 3 0 9.04-999 ?-999 ?-999 ? O2 SO4 A 360 mGLU~A 291 -11.39 70.41 10.50 -11.90 69.60 10.78 -11.49 71.70 8.36 -11.00 72.09 7.32 -10.81 70.59 9.17 -10.77 69.28 8.39 2 0 9.93-999 ?-999 ?-999 ? C5 2PE A 357 mGLN~A 292 -12.61 72.23 8.87 -13.04 71.68 9.58 -12.11 74.69 8.50 -12.18 75.62 7.72 -13.12 73.52 8.37 -14.47 73.82 9.02 2 0 10.97-999 ?-999 ?-999 ? C5 2PE A 357 mASN~A 293 -11.18 74.62 9.45 -11.31 73.85 10.09 -9.07 75.35 8.40 -8.76 74.21 8.04 -10.06 75.57 9.56 -9.35 75.41 10.93 2 0 10.96-999 ?-999 ?-999 ? O2 SO4 A 360 mASP~A 294 -8.59 76.45 7.82 -8.91 77.29 8.26 -6.38 75.71 6.96 -5.85 74.99 6.11 -7.68 76.42 6.65 -7.32 77.85 6.17 2 0 13.84-999 ?-999 ?-999 ? O2 SO4 A 360 mASP~A 295 -5.87 75.91 8.17 -6.46 76.45 8.77 -4.63 73.94 9.09 -3.60 73.41 9.52 -4.56 75.38 8.58 -3.94 76.27 9.67 2 0 12.39-999 ?-999 ?-999 ? O2 SO4 A 360 mILE~A 296 -5.80 73.31 9.06 -6.55 73.84 8.68 -6.36 71.02 8.41 -7.37 71.23 7.75 -5.95 71.94 9.57 -6.94 71.88 10.76 3 0 11.31-999 ?-999 ?-999 ? O2 SO4 A 360 mASN~A 297 -5.49 70.06 8.13 -4.63 70.16 8.63 -4.96 67.76 7.73 -3.73 67.76 7.75 -5.74 68.97 7.20 -5.25 69.33 5.80 2 0 13.83-999 ?-999 ?-999 ? C5 2PE A 357 mILE~A 298 -5.69 66.76 8.21 -6.66 66.80 7.97 -5.48 64.34 8.46 -4.57 63.56 8.15 -5.10 65.70 9.01 -5.51 65.89 10.52 3 0 13.18-999 ?-999 ?-999 ? O7 2PE A 357 mILE~A 299 -6.79 64.08 8.30 -7.37 64.89 8.42 -6.72 62.17 6.69 -6.38 61.01 6.64 -7.32 62.75 7.97 -8.86 62.78 7.84 3 0 10.82-999 ?-999 ?-999 ? O7 2PE A 357 mARG~A 300 -6.56 63.00 5.68 -6.85 63.94 5.87 -4.52 62.20 4.47 -4.01 61.57 3.56 -6.00 62.56 4.39 -6.24 63.60 3.29 2 0 13.53-999 ?-999 ?-999 ? C8 2PE A 357 mASN~A 301 -3.84 62.59 5.54 -4.37 63.15 6.17 -2.20 61.12 6.76 -1.06 60.79 7.03 -2.44 62.22 5.76 -1.65 63.44 6.19 2 0 16.06-999 ?-999 ?-999 ? C8 2PE A 357 mMETA 302 -3.26 60.54 7.31 -4.13 60.89 6.96 -3.10 58.12 7.73 -3.83 57.82 6.80 -3.16 59.51 8.32 -4.41 59.53 9.23 2 0 14.56-999 ?-999 ?-999 ? C8 2PE A 357 mASN~A 303 -2.29 57.24 8.33 -1.61 57.64 8.94 -2.52 55.09 9.46 -2.01 55.57 10.45 -2.42 55.80 8.10 -1.22 55.24 7.34 2 0 15.79-999 ?-999 ?-999 ? O2B ATP A 500 mMETA 304 -3.19 53.96 9.50 -3.52 53.63 8.62 -2.53 52.01 10.83 -2.39 51.28 9.85 -3.40 53.26 10.75 -4.84 52.86 10.90 2 0 13.32-999 ?-999 ?-999 ? O2B ATP A 500 mILE~A 305 -1.95 51.79 12.01 -1.99 52.58 12.62 -2.13 49.95 13.53 -2.42 50.64 14.55 -1.32 50.52 12.39 0.13 50.74 12.86 3 0 10.70-999 ?-999 ?-999 ? N6 ATP A 500 mTYR~A 306 -2.55 48.70 13.38 -2.43 48.31 12.47 -1.95 47.38 15.28 -1.07 46.76 14.70 -3.12 47.99 14.51 -4.22 46.98 14.08 3 0 8.92-999 ?-999 ?-999 ? N6 ATP A 500 mASN~A 307 -1.90 47.62 16.58 -2.60 48.26 16.90 -1.66 46.35 18.61 -2.74 46.80 18.98 -0.91 46.99 17.44 0.06 48.06 17.91 2 0 -5.24-999 ?-999 ?-999 ? N6 ATP A 500s mLYS~A 308 -1.10 45.26 19.16 -0.21 45.02 18.79 -3.13 43.99 19.82 -4.04 43.91 20.63 -1.75 44.51 20.23 -1.86 45.34 21.50 2 0 -4.48-999 ?-999 ?-999 ? N6 ATP A 500s mPHE~A 309 -3.26 43.60 18.57 -2.41 43.57 18.04 -4.89 41.81 18.38 -4.16 40.90 18.01 -4.55 43.26 18.01 -4.53 43.47 16.51 3 0 7.65-999 ?-999 ?-999 ? CL CL A 355 mSER~A 310 -5.99 41.63 19.10 -6.45 42.48 19.36 -7.38 39.76 18.37 -8.39 40.39 18.03 -6.48 40.30 19.46 -7.26 40.37 20.77 2 0 4.26-999 ?-999 ?-999 ? CL CL A 355s mASN~A 311 -7.02 38.62 17.80 -6.10 38.32 18.06 -9.28 37.62 17.51 -10.31 37.83 16.88 -7.92 37.89 16.88 -7.30 36.56 16.42 2 0 -4.05-999 ?-999 ?-999 ? CL CL A 355s mLYS~A 312 -9.27 37.19 18.76 -8.36 37.10 19.16 -11.27 38.11 19.92 -12.49 38.08 19.92 -10.49 36.87 19.49 -10.18 36.01 20.72 2 0 -4.38-999 ?-999 ?-999 ? CL CL A 355s mASN~A 313 -10.58 39.18 20.30 -9.61 39.15 20.07 -11.17 41.67 20.32 -11.92 42.57 20.72 -11.23 40.30 21.01 -10.69 40.38 22.45 2 0 5.48-999 ?-999 ?-999 ? O3 GOL A 358s mSER~A 314 -10.34 41.87 19.29 -9.80 41.06 19.04 -11.03 43.19 17.32 -11.27 42.15 16.74 -10.25 43.18 18.62 -8.80 43.56 18.29 2 0 5.54-999 ?-999 ?-999 ? O3 GOL A 358 mGLU~A 315 -11.39 44.38 16.85 -11.18 45.15 17.46 -11.53 45.78 14.88 -11.44 46.83 15.51 -12.04 44.52 15.55 -13.57 44.58 15.71 2 0 7.73-999 ?-999 ?-999 ? O3 GOL A 358 mMETA 316 -11.14 45.67 13.62 -11.12 44.73 13.28 -11.99 47.71 12.53 -13.10 47.18 12.39 -10.77 46.84 12.82 -10.16 46.40 11.51 2 0 10.73-999 ?-999 ?-999 ? O3 GOL A 358 mLEU~A 317 -11.80 49.03 12.46 -10.87 49.32 12.71 -13.08 49.85 10.56 -12.12 49.87 9.77 -12.85 49.95 12.06 -12.49 51.41 12.41 3 0 10.77-999 ?-999 ?-999 ? C9 2PE A 357 mSER~A 318 -14.34 49.74 10.15 -15.00 49.64 10.90 -15.35 51.12 8.41 -15.78 51.86 9.30 -14.72 49.78 8.74 -15.72 48.69 8.39 2 0 11.06-999 ?-999 ?-999 ? C9 2PE A 357 mASN~A 319 -15.44 51.39 7.11 -14.97 50.71 6.55 -15.54 53.90 6.95 -16.27 54.87 7.10 -16.16 52.55 6.56 -17.66 52.53 6.97 2 0 9.40-999 ?-999 ?-999 ? C8 2PE A 357 mILE~A 320 -14.22 53.95 7.16 -13.78 53.05 7.11 -12.53 55.50 6.33 -12.19 54.61 5.56 -13.51 55.21 7.46 -12.73 55.23 8.84 3 0 7.66-999 ?-999 ?-999 ? C8 2PE A 357 mSER~A 321 -12.07 56.74 6.22 -12.37 57.36 6.95 -9.76 57.11 5.53 -9.03 58.03 5.20 -11.20 57.13 5.11 -11.57 58.53 4.61 2 0 9.46-999 ?-999 ?-999 ? C8 2PE A 357 mILE~A 322 -9.34 56.07 6.25 -10.03 55.37 6.42 -7.46 54.57 6.36 -8.04 53.56 6.73 -7.96 55.97 6.74 -7.85 56.38 8.28 3 0 11.43-999 ?-999 ?-999 ? C8 2PE A 357 mLYS^A 323 -6.39 54.54 5.57 -6.05 55.44 5.29 -5.05 52.62 6.29 -4.21 53.23 6.93 -5.78 53.30 5.14 -4.77 53.60 4.02 2 0 15.01-999 ?-999 ?-999 ? C8 2PE A 357 mTHR^A 324 -5.38 51.36 6.54 -6.21 51.06 6.07 -3.44 49.92 6.63 -3.64 49.26 5.62 -4.61 50.49 7.41 -5.49 49.32 7.95 2 0 15.96-999 ?-999 ?-999 ? N6 ATP A 500 mILE^A 325 -2.22 50.17 7.11 -2.22 50.73 7.94 -0.50 48.36 7.11 0.31 47.67 6.52 -1.01 49.65 6.47 0.14 50.71 6.44 3 0 15.19-999 ?-999 ?-999 ? N6 ATP A 500 mGLY^A 326 -0.93 48.03 8.31 -1.62 48.65 8.70 -0.98 46.57 10.35 -1.66 47.40 10.93 -0.42 46.83 8.96-999.99-999.99-999.99 1 0 11.96-999 ?-999 ?-999 ? N6 ATP A 500 mGLY^A 327 -0.66 45.38 10.87 -0.10 44.80 10.28 -0.06 44.14 12.89 0.64 43.37 12.25 -1.09 44.98 12.19-999.99-999.99-999.99 1 0 8.94-999 ?-999 ?-999 ? N6 ATP A 500 mALA~A 328 0.03 44.30 14.21 -0.52 45.05 14.57 0.00 42.89 16.21 -0.95 43.53 16.70 0.86 43.47 15.06 2.00 44.28 15.62 2 0 5.62-999 ?-999 ?-999 ? N6 ATP A 500 mPRO~A 329 0.35 41.67 16.66 1.12 41.23 16.21 0.03 41.60 19.10 0.96 42.42 19.20 -0.41 41.08 17.74 -0.11 39.58 17.61 3 0 -5.28-999 ?-999 ?-999 ? N6 ATP A 500s mARG~A 330 -0.67 41.15 20.14 -1.51 40.67 19.88 0.66 40.18 21.92 0.22 39.05 22.14 -0.27 41.33 21.51 -1.50 41.37 22.42 2 0 3.53-999 ?-999 ?-999 ? N1 ATP A 500s mTYR~A 331 1.94 40.50 22.05 2.15 41.44 21.78 2.76 39.26 24.02 2.63 40.17 24.85 2.95 39.56 22.53 4.37 40.10 22.26 3 0 -3.85-999 ?-999 ?-999 ? N1 ATP A 500s mGLU~A 332 2.74 37.97 24.35 2.90 37.35 23.59 3.80 37.49 26.53 4.85 37.11 26.04 2.51 37.52 25.73 1.85 36.14 25.73 2 0 -4.09-999 ?-999 ?-999 ? O1 GOL A 359s mHIS~A 333 3.70 37.92 27.78 2.77 38.22 28.00 6.12 38.44 28.13 7.20 37.87 28.34 4.81 37.96 28.75 4.97 36.62 29.51 3 0 -3.66-999 ?-999 ?-999 ? C3 GOL A 359s mALA~A 334 6.03 39.55 27.38 5.12 39.96 27.36 7.74 41.32 27.36 7.00 42.10 27.94 7.17 40.09 26.66 6.78 40.42 25.23 2 0 -6.31-999 ?-999 ?-999 ? C3 GOL A 359s mTHR~A 335 9.06 41.47 27.30 9.56 40.68 26.96 9.61 43.75 26.57 9.30 43.40 25.42 9.69 42.72 27.71 11.16 42.49 28.06 2 0 6.35-999 ?-999 ?-999 ? O2' ATP A 500 mVAL~A 336 9.90 45.00 26.91 10.10 45.11 27.88 10.89 45.79 24.83 10.57 45.97 23.67 9.91 46.10 25.95 10.36 47.44 26.59 3 0 -4.71-999 ?-999 ?-999 ? O2' ATP A 500s mARG~A 337 12.07 45.32 25.23 12.15 45.31 26.22 12.66 43.86 23.34 12.89 44.00 22.14 13.15 44.88 24.35 14.26 44.28 25.25 2 0 8.41-999 ?-999 ?-999 ? O2' ATP A 500 mGLN~A 338 11.99 42.83 23.83 11.87 42.85 24.83 10.43 42.28 22.01 10.47 41.99 20.83 11.49 41.76 22.97 10.90 40.62 23.79 2 0 8.91-999 ?-999 ?-999 ? O2' ATP A 500 mILE~A 339 9.48 43.07 22.52 9.59 43.26 23.50 8.93 44.42 20.52 8.46 44.28 19.39 8.39 43.58 21.70 7.41 44.42 22.54 3 0 5.74-999 ?-999 ?-999 ? C6 ATP A 500s mILE~A 340 9.92 45.26 20.80 10.20 45.25 21.76 11.27 45.32 18.73 11.12 45.61 17.55 10.53 46.13 19.79 11.49 47.16 20.43 3 0 7.74-999 ?-999 ?-999 ? N7 ATP A 500 mGLU~A 341 12.04 44.32 19.17 12.12 44.28 20.16 11.71 42.71 17.32 11.96 42.64 16.10 12.70 43.39 18.25 13.46 42.31 19.03 2 0 10.23-999 ?-999 ?-999 ? N6 ATP A 500 mALA~A 342 10.61 42.21 17.87 10.56 42.32 18.87 8.94 42.55 16.09 8.65 42.19 14.94 9.57 41.56 17.07 8.49 40.92 17.94 2 0 8.10-999 ?-999 ?-999 ? N6 ATP A 500 mLEU~A 343 8.78 43.80 16.53 9.13 43.97 17.45 9.02 45.27 14.53 8.51 45.47 13.43 8.14 44.82 15.70 7.66 46.02 16.54 3 0 7.08-999 ?-999 ?-999 ? N6 ATP A 500 mTHR~A 344 10.33 45.42 14.76 10.60 45.19 15.69 11.32 44.94 12.49 11.77 45.34 11.43 11.26 45.88 13.70 12.70 46.06 14.23 2 0 10.84-999 ?-999 ?-999 ? N6 ATP A 500 mLYS~A 345 10.90 43.69 12.67 10.69 43.47 13.62 9.45 42.90 10.76 9.29 42.28 9.73 10.75 42.73 11.57 10.84 41.31 12.12 2 0 11.96-999 ?-999 ?-999 ? N6 ATP A 500 mMETA 346 8.54 43.75 11.22 8.78 44.19 12.08 7.55 44.69 9.15 7.93 45.85 9.09 7.28 44.00 10.50 6.32 44.88 11.31 2 0 10.78-999 ?-999 ?-999 ? N6 ATP A 500 mGLU~A 347 7.29 43.96 8.07 6.97 43.04 8.27 6.73 45.81 6.45 7.19 46.64 5.65 7.47 44.49 6.73 7.04 43.44 5.73 2 0 12.06-999 ?-999 ?-999 ? C9 2PE A 356 mPHE~A 348 5.62 46.04 7.15 5.42 45.34 7.84 5.44 48.56 7.27 4.95 49.62 6.85 4.78 47.21 6.89 3.37 47.04 7.53 3 0 12.22-999 ?-999 ?-999 ? C11 2PE A 356 mPHE~A 349 6.52 48.54 8.04 6.78 47.64 8.38 7.90 50.40 7.10 8.05 51.62 7.02 7.26 49.78 8.34 8.30 49.56 9.44 3 0 10.57-999 ?-999 ?-999 ? C11 2PE A 356 mGLU~A 350 8.24 49.56 6.12 8.16 48.60 6.37 7.66 50.90 4.09 8.02 51.83 3.38 8.69 50.03 4.80 9.03 48.85 3.90 2 0 7.11-999 ?-999 ?-999 ? C11 2PE A 356 mGLU~A 351 6.38 50.61 4.30 6.22 49.85 4.92 5.27 52.83 4.10 4.80 53.71 3.35 5.31 51.36 3.65 3.96 50.69 3.90 2 0 8.54-999 ?-999 ?-999 ? C11 2PE A 356 mILE~A 352 5.77 53.09 5.30 6.07 52.28 5.81 6.84 55.27 4.97 6.67 56.47 4.82 5.86 54.46 5.82 6.23 54.47 7.34 3 0 8.89-999 ?-999 ?-999 ? O13 2PE A 356 mLEU~A 353 7.84 54.61 4.38 7.85 53.63 4.57 8.32 55.66 2.11 8.97 56.47 1.44 8.82 55.29 3.53 10.10 54.44 3.41 3 0 5.07-999 ?-999 ?-999 ? O13 2PE A 356 mGLN~A 354 7.21 55.08 1.66 6.73 54.53 2.34 5.26 55.58 0.14 4.47 55.44 1.08 6.75 55.24 0.26 7.04 53.97 -0.55 2 0 5.77-999 ?-999 ?-999 ? C12 2PE A 356