HEADER UNKNOWN FUNCTION 02-MAR-06 2G8L COMPND 287AA LONG HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 53953; SOURCE 4 GENE: 3258004; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 11 8 HET MSE A 21 8 HET MSE A 26 8 HET MSE A 33 8 HET MSE A 81 8 HET MSE A 128 8 HET MSE A 228 8 HET MSE A 281 8 HET MSE B 11 8 HET MSE B 21 8 HET MSE B 26 8 HET MSE B 33 8 HET MSE B 81 8 HET MSE B 128 8 HET MSE B 228 8 HET MSE B 281 8 HET UNL B 288 8 HET UNL A 288 8 HET EDO B 289 4 HET EDO B 290 4 HET EDO A 289 4 HET EDO A 290 4 HET EDO A 291 4 SITE 1 AC1 8 ASP B 156 ASN B 157 ASN B 190 ASP B 191 SITE 1 AC2 9 ASN A 108 ASP A 156 ASN A 157 GLN A 242 SITE 1 AC3 6 ASP A 68 HOH A 329 ARG B 31 LEU B 35 SITE 1 AC4 4 ASP B 96 GLU B 98 LEU B 99 PRO B 118 SITE 1 AC5 3 LYS A 42 GLU A 43 GLU A 60 SITE 1 AC6 2 ASP A 25 HOH A 325 SITE 1 AC7 4 LEU A 59 LYS A 63 ASP A 68 HOH A 338 mMETA 1 31.64 66.55 49.09 31.38 67.32 48.50 33.10 64.74 48.17 33.60 65.25 47.16 31.68 65.15 48.63 30.68 64.94 47.46 2 0 14.15-999 ?-999 ?-999 ? O8 UNL A 288 mLYS.A 2 33.72 63.81 48.92 33.16 63.50 49.69 35.29 62.79 47.20 34.50 61.97 46.71 35.10 63.31 48.65 35.46 62.19 49.65 2 0 13.85-999 ?-999 ?-999 ? O2 EDO B 289 mVAL.A 3 36.33 63.28 46.53 36.91 63.90 47.04 37.00 61.43 45.06 37.73 60.96 45.92 36.55 62.90 45.13 37.56 63.83 44.44 3 0 12.13-999 ?-999 ?-999 ? O2 EDO B 289 mGLN.A 4 36.55 60.71 44.05 36.01 61.23 43.38 37.85 59.03 42.87 38.01 59.82 41.94 36.81 59.29 43.94 35.51 58.54 43.63 2 0 12.23-999 ?-999 ?-999 ? O2 EDO B 289 mTYR.A 5 38.56 57.91 42.99 38.25 57.29 43.71 39.30 57.65 40.61 40.11 57.98 39.75 39.70 57.65 42.10 40.40 56.33 42.47 3 0 10.56-999 ?-999 ?-999 ? O2 EDO B 289 mGLU~A 6 38.07 57.28 40.28 37.45 57.09 41.05 37.31 58.50 38.26 37.02 58.56 37.07 37.70 57.17 38.88 36.62 56.12 38.60 2 0 13.81-999 ?-999 ?-999 ? O2 EDO B 289 mCYH~A 7 37.37 59.58 39.03 37.74 59.43 39.95 37.93 61.55 37.63 37.56 62.42 36.85 36.93 60.86 38.54 36.52 61.76 39.69 2 0 12.66-999 ?-999 ?-999 ? O3 UNL A 288 mLEU~A 8 39.20 61.15 37.71 39.38 60.46 38.41 39.94 61.32 35.37 39.91 62.18 34.51 40.20 61.71 36.83 41.61 61.30 37.28 3 0 12.42-999 ?-999 ?-999 ? O2 EDO B 289 mTHR~A 9 39.75 60.04 35.08 39.84 59.41 35.85 38.08 60.23 33.24 37.98 60.64 32.09 39.42 59.64 33.72 39.44 58.12 33.53 2 0 14.74-999 ?-999 ?-999 ? O6 UNL A 288 mCYH~A 10 37.08 60.28 34.09 37.26 59.86 34.98 36.03 62.34 33.23 35.53 62.72 32.17 35.81 60.92 33.70 34.82 60.93 34.85 2 0 10.94-999 ?-999 ?-999 ? O6 UNL A 288 mMETA 11 36.78 63.11 34.00 37.15 62.69 34.83 37.88 64.55 32.40 37.60 65.36 31.55 37.04 64.48 33.64 37.71 65.24 34.77 2 0 11.11-999 ?-999 ?-999 ? O6 UNL A 288 mALA~A 12 38.90 63.70 32.28 39.01 63.07 33.05 38.97 63.41 29.87 39.20 63.99 28.82 39.76 63.72 31.12 40.91 62.76 31.29 2 0 13.31-999 ?-999 ?-999 ? O2 EDO A 289 mASN~A 13 38.05 62.47 29.99 37.96 62.08 30.91 36.38 63.18 28.36 36.24 63.38 27.14 37.25 62.05 28.86 36.38 60.85 29.25 2 0 12.35-999 ?-999 ?-999 ? O6 UNL A 288 mGLN~A 14 35.79 63.88 29.31 35.99 63.55 30.23 35.75 66.13 28.34 35.32 66.70 27.36 34.94 65.03 29.01 34.26 65.53 30.27 2 0 9.61-999 ?-999 ?-999 ? O6 UNL A 288 mCYH~A 15 36.95 66.39 28.83 37.16 65.90 29.67 38.07 66.91 26.74 37.97 67.74 25.86 37.87 67.32 28.17 39.23 67.34 28.85 2 0 12.29-999 ?-999 ?-999 ? O2 EDO A 289 mGLN~A 16 38.28 65.61 26.50 38.24 65.00 27.29 37.31 65.33 24.26 37.44 65.72 23.08 38.54 65.16 25.15 39.07 63.72 25.13 2 0 14.54-999 ?-999 ?-999 ? O6 UNL A 288 mARG~A 17 36.13 65.00 24.78 36.15 64.63 25.70 34.72 66.69 23.64 34.32 67.01 22.51 34.92 65.19 24.00 33.71 64.62 24.72 2 0 12.34-999 ?-999 ?-999 ? O6 UNL A 288 mILE~A 18 35.05 67.60 24.56 35.33 67.22 25.44 35.91 69.46 23.10 35.47 70.14 22.16 35.00 69.03 24.26 35.32 69.88 25.53 3 0 12.49-999 ?-999 ?-999 ? C2 EDO A 291 mVAL~A 19 37.17 69.06 23.16 37.39 68.49 23.95 37.70 68.85 20.78 37.82 69.51 19.74 38.14 69.41 22.15 39.54 68.91 22.64 3 0 11.99-999 ?-999 ?-999 ? O1 EDO A 290 mGLU~A 20 37.15 67.64 20.79 37.09 67.23 21.70 35.52 67.72 18.88 35.47 67.92 17.66 36.70 66.98 19.55 36.32 65.53 19.83 2 0 11.08-999 ?-999 ?-999 ? O1 EDO A 290 mMETA 21 34.60 68.15 19.71 34.81 67.95 20.67 33.72 70.25 18.77 33.06 70.76 17.90 33.40 68.85 19.29 32.55 68.95 20.54 2 0 11.85-999 ?-999 ?-999 ? O1 EDO A 290 mALA~A 22 34.75 70.86 19.34 35.24 70.29 20.00 35.94 72.37 17.76 35.92 73.43 17.17 35.14 72.21 19.02 35.92 72.81 20.16 2 0 9.99-999 ?-999 ?-999 ? O1 EDO A 290 mTHR~A 23 36.70 71.35 17.36 36.60 70.51 17.89 38.01 70.17 15.69 38.01 69.19 16.43 37.59 71.52 16.23 38.84 72.35 16.60 2 0 6.37-999 ?-999 ?-999 ? O1 EDO A 290 mGLN.A 24 38.36 70.15 14.41 38.22 71.03 13.95 40.41 69.10 13.56 41.07 68.18 13.08 38.91 68.96 13.74 38.24 68.77 12.35 2 0 4.65-999 ?-999 ?-999 ? C2 EDO A 290 mASP~A 25 40.97 70.22 13.98 40.34 70.84 14.45 43.13 69.75 14.80 42.96 69.98 15.98 42.37 70.52 13.76 42.63 72.03 13.92 2 0 -3.65-999 ?-999 ?-999 ? O2 EDO A 290s mMETA 26 43.98 68.82 14.37 44.12 68.81 13.38 45.71 68.58 16.14 46.02 68.06 17.21 44.64 67.91 15.28 45.24 66.71 14.53 2 0 6.13-999 ?-999 ?-999 ? O2 EDO A 290 mASP~A 27 46.31 69.67 15.64 46.01 69.92 14.72 46.66 71.23 17.51 47.17 71.34 18.62 47.32 70.42 16.41 48.12 71.36 15.52 2 0 7.88-999 ?-999 ?-999 ? O2 EDO A 290 mILE~A 28 45.50 71.81 17.22 45.21 71.71 16.27 44.26 71.55 19.32 44.34 71.83 20.54 44.76 72.54 18.25 43.57 73.32 17.67 3 0 8.29-999 ?-999 ?-999 ? O1 EDO A 290 mARG~A 29 43.78 70.39 18.88 43.76 70.27 17.89 44.46 68.96 20.81 44.24 68.85 22.00 43.34 69.37 19.84 42.83 68.13 19.11 2 0 9.75-999 ?-999 ?-999 ? O1 EDO A 290 mARG~A 30 45.67 68.75 20.27 45.69 68.88 19.28 47.18 69.47 22.10 47.42 69.18 23.28 46.83 68.39 21.07 48.05 68.15 20.17 2 0 11.94-999 ?-999 ?-999 ? O2 EDO A 290 mARG~A 31 47.24 70.70 21.63 47.03 70.79 20.66 46.53 71.99 23.59 46.89 72.22 24.73 47.57 71.82 22.50 47.81 73.09 21.67 2 0 13.38-999 ?-999 ?-999 ? O1 EDO A 290 mALA~A 32 45.26 71.77 23.26 45.12 71.56 22.29 44.27 70.75 25.30 44.02 71.02 26.47 44.19 71.83 24.23 42.84 71.77 23.52 2 0 13.23-999 ?-999 ?-999 ? O2 EDO A 289 mMETA 33 44.64 69.53 24.90 44.81 69.44 23.92 46.05 68.55 26.68 46.07 68.12 27.83 44.78 68.41 25.83 44.71 67.06 25.12 2 0 13.48-999 ?-999 ?-999 ? O2 EDO A 289 mILE~A 34 47.09 69.16 26.13 47.00 69.33 25.15 47.88 70.50 28.04 48.28 70.31 29.20 48.26 69.52 26.93 49.46 70.01 26.07 3 0 13.52-999 ?-999 ?-999 ? O2 EDO A 289 mLEU~A 35 47.05 71.48 27.73 46.80 71.54 26.76 45.67 71.63 29.76 45.79 71.79 30.98 46.55 72.40 28.75 45.77 73.56 28.10 3 0 10.08-999 ?-999 ?-999 ? O2 EDO A 289 mALA~A 36 44.78 70.78 29.25 44.79 70.75 28.26 44.62 69.18 31.14 44.17 69.09 32.28 43.88 69.98 30.08 43.09 69.00 29.21 2 0 9.11-999 ?-999 ?-999 ? O2 EDO A 289 mALA~A 37 45.74 68.61 30.75 45.96 68.73 29.78 47.04 68.75 32.84 47.01 68.32 34.01 46.58 67.86 31.68 47.77 67.29 30.95 2 0 10.84-999 ?-999 ?-999 ? O2 EDO A 289 mLYS~A 38 47.50 69.96 32.52 47.51 70.17 31.54 46.80 71.26 34.49 46.98 71.35 35.69 47.94 70.88 33.57 48.57 72.11 32.97 2 0 9.00-999 ?-999 ?-999 ? O2 EDO A 289 mLEU~A 39 45.63 71.50 33.91 45.64 71.38 32.91 43.93 70.74 35.51 43.53 70.95 36.65 44.43 71.88 34.65 43.34 72.35 33.69 3 0 5.54-999 ?-999 ?-999 ? O2 EDO A 289 mLEU~A 40 44.02 69.53 35.00 44.32 69.49 34.04 44.57 68.25 37.02 44.07 68.01 38.12 43.69 68.38 35.79 43.72 67.11 34.96 3 0 7.97-999 ?-999 ?-999 ? O2 EDO A 289 mALA~A 41 45.87 68.41 36.85 46.16 68.59 35.91 46.47 69.45 39.01 46.72 69.27 40.19 46.77 68.34 37.99 48.20 68.47 37.52 2 0 9.60-999 ?-999 ?-999 ? O2 EDO A 289 mLYS~A 42 46.01 70.60 38.53 45.92 70.64 37.53 44.42 71.41 40.20 44.40 71.63 41.40 45.67 71.71 39.39 45.47 72.98 38.56 2 0 -6.91-999 ?-999 ?-999 ? O2 EDO A 289s mGLU~A 43 43.37 70.89 39.55 43.57 70.58 38.62 41.74 69.45 40.72 40.85 69.36 41.56 42.06 70.81 40.15 40.98 71.18 39.13 2 0 -6.37-999 ?-999 ?-999 ? O2 EDO A 289s mTYR~A 44 42.35 68.38 40.22 42.99 68.59 39.48 42.97 66.79 41.96 44.10 66.35 41.85 42.09 67.04 40.75 42.25 65.94 39.69 3 0 9.86-999 ?-999 ?-999 ? O2 EDO B 289 mASN.A 45 42.42 67.11 43.12 41.46 67.38 43.04 42.17 66.69 45.53 40.99 66.43 45.29 43.14 67.07 44.39 43.88 68.40 44.65 2 0 7.76-999 ?-999 ?-999 ? O2 EDO B 289 mGLU.A 46 42.68 66.65 46.76 43.59 67.04 46.85 40.70 66.93 48.15 39.75 66.44 48.74 41.91 66.09 47.85 42.76 65.94 49.10 2 0 8.16-999 ?-999 ?-999 ? O2 EDO B 289 mASN.A 47 40.73 68.20 47.77 41.56 68.46 47.28 38.59 69.19 46.95 37.63 69.93 47.07 39.63 69.11 48.06 40.18 70.54 48.29 2 0 11.76-999 ?-999 ?-999 ? O2 EDO B 289 mALA.A 48 38.81 68.49 45.85 39.58 67.85 45.91 36.56 68.12 44.90 36.37 67.05 45.51 37.96 68.66 44.66 38.57 67.98 43.46 2 0 11.36-999 ?-999 ?-999 ? O2 EDO A 289 mILE~A 49 35.57 68.88 44.43 35.80 69.84 44.27 34.16 68.23 42.67 34.33 69.22 41.99 34.26 68.33 44.18 33.17 69.24 44.73 3 0 12.36-999 ?-999 ?-999 ? O8 UNL A 288 mPRO~A 50 33.91 67.03 42.13 33.64 66.32 42.78 33.21 67.77 39.78 33.70 68.27 38.76 34.04 66.83 40.66 33.64 65.35 40.46 3 0 10.36-999 ?-999 ?-999 ? O8 UNL A 288 mALA~A 51 31.98 68.07 40.17 31.68 67.62 41.01 31.85 70.36 39.23 31.85 70.93 38.15 31.16 69.00 39.41 29.80 69.19 40.10 2 0 7.38-999 ?-999 ?-999 ? O8 UNL A 288 mILE~A 52 32.46 70.84 40.31 32.44 70.23 41.10 34.46 72.09 39.66 34.76 72.90 38.76 33.10 72.15 40.35 33.25 72.68 41.83 3 0 9.58-999 ?-999 ?-999 ? O2 EDO A 289 mALA~A 53 35.28 71.15 40.08 34.91 70.57 40.81 36.53 70.80 38.01 37.19 71.50 37.27 36.62 70.99 39.52 37.36 69.82 40.16 2 0 7.25-999 ?-999 ?-999 ? O2 EDO A 289 mGLY~A 54 35.70 69.86 37.59 35.26 69.33 38.31 35.04 70.94 35.46 35.62 71.31 34.45 35.47 69.66 36.15-999.99-999.99-999.99 1 0 8.32-999 ?-999 ?-999 ? O2 EDO A 289 mSER~A 55 34.03 71.63 35.99 33.67 71.25 36.84 34.61 73.89 35.16 34.70 74.53 34.10 33.53 72.83 35.33 32.39 73.44 36.11 2 0 8.15-999 ?-999 ?-999 ? O2 EDO A 289 mLEU~A 56 35.44 74.08 36.17 35.27 73.50 36.97 37.50 74.75 34.98 37.96 75.63 34.26 36.49 75.08 36.09 37.20 75.19 37.42 3 0 4.61-999 ?-999 ?-999 ? O2 EDO A 289 mILE~A 57 37.84 73.46 34.86 37.47 72.87 35.58 37.99 73.20 32.43 38.60 73.71 31.50 38.66 72.99 33.78 39.00 71.52 33.92 3 0 4.56-999 ?-999 ?-999 ? O2 EDO A 289 mPHE~A 58 36.74 72.80 32.31 36.34 72.40 33.14 35.95 74.40 30.56 36.13 74.68 29.39 36.04 72.95 31.03 34.65 72.28 31.05 3 0 7.65-999 ?-999 ?-999 ? O1 EDO A 291 mLEU~A 59 35.67 75.32 31.46 35.50 74.97 32.38 36.94 77.26 30.61 36.97 78.02 29.66 35.62 76.73 31.12 35.13 77.57 32.29 3 0 -4.02-999 ?-999 ?-999 ? O1 EDO A 291s mGLU~A 60 38.06 76.83 31.20 37.92 76.27 32.01 39.61 76.63 29.28 40.28 77.26 28.49 39.36 77.19 30.66 40.52 76.75 31.57 2 0 -5.59-999 ?-999 ?-999 ? O1 EDO A 291s mLEU~A 61 39.12 75.44 29.00 38.71 74.97 29.78 38.36 75.68 26.66 38.81 75.92 25.55 39.19 74.89 27.65 38.79 73.41 27.61 3 0 7.22-999 ?-999 ?-999 ? O1 EDO A 291 mTYR~A 62 37.15 76.09 27.04 36.85 75.76 27.94 37.12 78.21 25.82 37.08 78.68 24.67 36.34 76.95 26.19 35.07 77.42 26.93 3 0 4.76-999 ?-999 ?-999 ? C2 EDO A 291 mLYS~A 63 37.78 78.80 26.82 37.69 78.36 27.71 39.76 79.73 25.65 39.99 80.48 24.70 38.58 80.00 26.60 39.06 80.55 27.94 2 0 -4.44-999 ?-999 ?-999 ? C2 EDO A 291s mPHE~A 64 40.51 78.66 25.91 40.25 78.17 26.74 41.14 78.07 23.59 41.81 78.49 22.65 41.62 78.25 25.04 42.31 76.99 25.56 3 0 8.14-999 ?-999 ?-999 ? C2 EDO A 291 mLEU~A 65 39.96 77.49 23.43 39.48 77.30 24.28 38.78 78.37 21.39 38.48 78.32 20.20 39.45 77.18 22.08 38.48 76.00 22.19 3 0 8.32-999 ?-999 ?-999 ? C2 EDO A 291 mGLY~A 66 38.51 79.43 22.14 38.85 79.37 23.08 36.32 80.26 21.27 35.72 80.91 20.40 37.78 80.57 21.59-999.99-999.99-999.99 1 0 6.28-999 ?-999 ?-999 ? O2 EDO A 291 mASN.A 67 35.73 79.36 22.05 36.30 79.02 22.80 33.62 78.97 23.13 33.94 78.25 24.05 34.36 78.90 21.83 34.36 77.48 21.28 2 0 5.69-999 ?-999 ?-999 ? O2 EDO A 291 mASP.A 68 32.62 79.84 23.19 32.47 80.33 22.33 30.83 78.95 24.65 30.29 78.85 25.75 31.83 80.06 24.39 31.06 81.38 24.29 2 0 3.78-999 ?-999 ?-999 ? O2 EDO A 291s mASP.A 69 30.58 78.11 23.65 31.06 78.32 22.79 29.85 75.95 22.75 29.13 75.96 21.77 29.68 76.99 23.83 28.24 77.48 23.85 2 0 7.16-999 ?-999 ?-999 ? C2 EDO A 291 mPRO.A 70 30.81 75.04 22.94 31.34 75.17 23.78 29.87 72.99 21.78 29.85 72.30 20.79 31.03 73.95 21.98 32.23 73.20 22.55 3 0 9.55-999 ?-999 ?-999 ? C2 EDO A 291 mPHE~A 71 28.93 72.96 22.72 29.09 73.65 23.42 26.56 72.61 22.05 25.56 71.94 22.00 27.79 72.05 22.75 27.42 71.77 24.22 3 0 11.81-999 ?-999 ?-999 ? O6 UNL A 288 mILE~A 72 26.66 73.79 21.48 27.59 74.15 21.40 24.61 73.70 20.01 23.40 73.64 20.18 25.49 74.50 21.00 25.86 75.92 20.48 3 0 12.75-999 ?-999 ?-999 ? C2 EDO A 291 mGLU~A 73 25.19 73.03 19.04 26.19 73.11 19.02 23.71 71.06 18.74 22.55 70.78 18.42 24.40 72.26 18.10 25.25 71.85 16.92 2 0 15.96-999 ?-999 ?-999 ? O6 UNL A 288 mTYR~A 74 24.37 70.40 19.70 25.32 70.68 19.83 22.57 69.90 21.24 21.51 69.31 21.23 23.72 69.35 20.48 24.69 68.65 21.44 3 0 12.83-999 ?-999 ?-999 ? O6 UNL A 288 mLYS~A 75 22.78 71.03 21.92 23.70 71.40 21.82 20.56 72.07 21.88 19.42 71.83 22.27 21.75 71.66 22.71 22.33 72.86 23.49 2 0 12.28-999 ?-999 ?-999 ? O6 UNL A 288 mLEU~A 76 20.80 72.69 20.72 21.76 72.86 20.51 18.90 71.86 19.43 17.66 71.90 19.42 19.68 73.07 19.85 20.15 73.83 18.62 3 0 16.00-999 ?-999 ?-999 ? O6 UNL A 288 mLYS~A 77 19.60 70.77 19.10 20.59 70.89 19.13 18.12 68.94 19.91 16.98 68.52 19.73 18.93 69.52 18.72 19.95 68.51 18.17 2 0 15.87-999 ?-999 ?-999 ? O5 UNL A 288 mSER~A 78 18.67 68.97 21.11 19.58 69.39 21.14 16.75 69.24 22.63 15.72 68.67 23.03 17.99 68.43 22.26 18.93 68.40 23.48 2 0 12.94-999 ?-999 ?-999 ? O5 UNL A 288 mGLU~A 79 16.88 70.56 22.54 17.78 70.86 22.25 14.60 71.26 21.91 13.45 71.28 22.34 15.78 71.46 22.84 16.24 72.92 22.77 2 0 15.03-999 ?-999 ?-999 ? O5 UNL A 288 mGLU~A 80 14.89 71.07 20.63 15.87 71.06 20.42 13.07 69.60 19.89 11.83 69.60 19.96 13.85 70.89 19.63 14.46 70.88 18.22 2 0 18.11-999 ?-999 ?-999 ? O5 UNL A 288 mMETA 81 13.82 68.52 20.06 14.80 68.69 19.97 12.45 67.19 21.63 11.32 66.68 21.66 13.26 67.20 20.34 14.40 66.19 20.44 2 0 16.92-999 ?-999 ?-999 ? O5 UNL A 288 mALA~A 82 13.02 67.76 22.70 13.92 68.16 22.54 11.06 68.59 23.96 10.03 68.16 24.49 12.35 67.79 24.00 13.28 68.35 25.06 2 0 15.36-999 ?-999 ?-999 ? O5 UNL A 288 mARG~A 83 11.10 69.76 23.31 11.99 69.98 22.93 8.78 69.84 22.53 7.65 69.85 23.02 9.91 70.61 23.19 10.20 71.87 22.36 2 0 18.33-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 84 9.09 69.21 21.40 10.04 69.33 21.11 7.60 67.24 21.48 6.38 67.00 21.50 8.13 68.42 20.67 8.73 67.95 19.36 2 0 20.74-999 ?-999 ?-999 ? O5 UNL A 288 mVAL~A 85 8.48 66.51 22.15 9.43 66.81 22.04 7.11 65.81 24.11 6.03 65.24 24.33 8.04 65.37 22.97 9.25 64.56 23.50 3 0 19.09-999 ?-999 ?-999 ? O1 UNL A 288 mALA~A 86 7.52 66.87 24.79 8.40 67.24 24.49 5.39 67.88 25.39 4.43 67.80 26.16 6.75 67.43 25.88 7.47 68.57 26.52 2 0 18.70-999 ?-999 ?-999 ? O1 UNL A 288 mASP~A 87 5.29 68.36 24.15 6.15 68.38 23.64 3.04 67.64 23.39 1.82 67.77 23.60 3.98 68.81 23.62 4.14 69.62 22.34 2 0 22.39-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 88 3.60 66.51 22.96 4.58 66.60 22.76 2.31 64.82 24.15 1.12 64.60 24.33 2.85 65.28 22.79 3.72 64.15 22.15 3 0 23.48-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 89 3.22 64.69 25.10 4.15 64.87 24.79 1.70 65.17 27.01 0.74 64.63 27.56 2.87 64.33 26.47 4.13 64.47 27.38 3 0 21.84-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 90 1.80 66.48 26.83 2.61 66.76 26.31 -0.58 67.24 26.68 -1.61 67.50 27.31 0.80 67.43 27.33 1.31 68.87 27.16 2 0 23.58-999 ?-999 ?-999 ? O1 UNL A 288 mARG~A 91 -0.58 66.77 25.43 0.33 66.68 25.03 -2.36 65.08 25.14 -3.57 64.93 25.29 -1.81 66.43 24.73 -1.59 66.43 23.21 2 0 26.85-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 92 -1.50 64.08 25.30 -0.54 64.35 25.21 -2.25 62.45 27.05 -3.28 61.87 27.38 -1.96 62.72 25.58 -0.94 61.69 25.09 2 0 26.76-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 93 -1.35 62.85 27.94 -0.69 63.52 27.59 -1.89 63.31 30.35 -1.62 64.50 30.29 -1.37 62.33 29.31 0.03 61.84 29.70 3 0 25.19-999 ?-999 ?-999 ? O1 UNL A 288 mLYS.A 94 -2.71 62.80 31.26 -3.09 61.91 31.02 -2.04 62.88 33.47 -1.95 61.65 33.55 -3.01 63.50 32.49 -4.46 63.26 32.94 2 0 26.23-999 ?-999 ?-999 ? O1 UNL A 288 mLEU.A 95 -1.28 63.71 34.17 -1.45 64.68 33.98 -0.61 63.80 36.51 -0.85 65.00 36.65 -0.30 63.23 35.14 1.10 63.64 34.70 3 0 23.46-999 ?-999 ?-999 ? O1 UNL A 288 mASP~A 96 -0.64 62.93 37.52 -0.65 61.97 37.24 0.77 63.82 39.29 1.69 63.74 38.48 -0.65 63.38 38.92 -1.21 62.30 39.88 2 0 24.16-999 ?-999 ?-999 ? O1 UNL A 288 mPHE~A 97 0.93 64.30 40.51 0.11 64.29 41.08 3.31 63.74 40.98 4.45 64.01 40.58 2.22 64.81 40.97 2.08 65.40 42.36 3 0 21.77-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 98 2.96 62.54 41.45 2.01 62.47 41.75 4.52 61.17 40.12 5.73 61.01 39.98 3.92 61.44 41.50 3.27 60.16 42.05 2 0 20.66-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 99 3.66 61.08 39.10 2.70 61.25 39.35 4.86 61.92 37.14 5.80 61.70 36.38 4.10 60.77 37.75 2.93 60.42 36.85 3 0 19.71-999 ?-999 ?-999 ? O1 UNL A 288 mALA~A 100 4.45 63.15 37.47 3.62 63.17 38.04 6.57 64.43 37.60 7.49 64.96 36.96 5.15 64.34 37.01 4.36 65.59 37.34 2 0 18.09-999 ?-999 ?-999 ? O1 UNL A 288 mVAL~A 101 6.74 63.92 38.82 5.90 63.63 39.28 8.90 62.80 38.64 10.06 63.05 38.29 8.07 63.82 39.42 8.01 63.40 40.93 3 0 15.78-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 102 8.30 61.65 38.37 7.35 61.57 38.70 9.39 61.07 36.25 10.47 60.76 35.76 8.99 60.59 37.65 8.10 59.35 37.56 2 0 15.09-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 103 8.51 61.85 35.63 7.68 62.02 36.15 10.00 63.32 34.31 10.87 63.23 33.44 8.77 62.40 34.31 7.54 63.16 33.82 3 0 14.57-999 ?-999 ?-999 ? O1 UNL A 288 mALA~A 104 10.07 64.20 35.32 9.28 64.17 35.93 12.53 64.35 35.65 13.56 64.77 35.12 11.22 65.11 35.49 10.99 66.07 36.67 2 0 11.88-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 105 12.47 63.22 36.35 11.57 63.03 36.75 13.97 61.66 35.19 15.12 61.63 34.79 13.64 62.34 36.51 13.44 61.29 37.62 3 0 10.01-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 106 12.96 61.13 34.52 12.09 61.13 35.02 13.79 61.60 32.19 14.65 61.23 31.38 13.12 60.59 33.16 11.76 60.15 32.61 3 0 11.07-999 ?-999 ?-999 ? O1 UNL A 288 mGLY~A 107 13.40 62.86 32.29 12.66 63.02 32.94 15.49 64.08 31.77 16.25 64.52 30.91 14.01 63.90 31.49-999.99-999.99-999.99 1 0 9.71-999 ?-999 ?-999 ? O1 UNL A 288 mASN~A 108 15.89 63.76 33.00 15.12 63.57 33.61 18.06 62.51 32.76 19.27 62.50 32.68 17.32 63.70 33.40 17.43 63.62 34.94 2 0 -6.08-999 ?-999 ?-999 ? O1 UNL A 288s mVAL~A 109 17.31 61.51 32.32 16.33 61.71 32.37 18.07 60.27 30.30 19.01 59.66 29.78 17.85 60.26 31.81 16.87 59.09 32.10 3 0 7.73-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 110 17.17 60.93 29.58 16.53 61.47 30.13 18.15 61.75 27.46 18.31 62.92 27.83 17.13 60.85 28.13 15.74 61.23 27.60 3 0 9.22-999 ?-999 ?-999 ? O5 UNL A 288 mASP.A 111 18.84 61.19 26.47 18.75 60.19 26.43 18.74 62.39 24.38 18.47 61.62 23.45 19.64 61.94 25.54 20.78 61.08 25.00 2 0 8.80-999 ?-999 ?-999 ? O5 UNL A 288 mPHE.A 112 18.30 63.64 24.44 18.64 64.15 25.24 18.08 64.61 22.15 17.41 64.95 21.19 17.39 64.22 23.45 16.70 65.47 24.01 3 0 11.57-999 ?-999 ?-999 ? O5 UNL A 288 mSER.A 113 19.42 64.56 22.12 19.84 64.27 22.98 20.23 63.78 19.88 20.68 64.00 18.76 20.17 64.91 20.92 21.59 65.34 21.27 2 0 12.43-999 ?-999 ?-999 ? O5 UNL A 288 mVAL.A 114 19.80 62.58 20.24 19.47 62.51 21.18 18.47 61.16 18.72 17.44 61.35 19.39 19.85 61.47 19.29 20.47 60.20 19.91 3 0 14.27-999 ?-999 ?-999 ? O5 UNL A 288 mGLY.A 115 18.44 60.72 17.47 19.34 60.68 17.02 16.41 61.48 16.23 16.76 62.67 16.40 17.19 60.32 16.82-999.99-999.99-999.99 1 0 17.74-999 ?-999 ?-999 ? O5 UNL A 288 mPHE.A 116 15.34 61.12 15.52 15.13 60.14 15.57 13.04 61.90 14.91 12.27 62.57 14.22 14.55 62.07 14.73 14.94 61.95 13.24 3 0 20.51-999 ?-999 ?-999 ? O5 UNL A 288 mSER~A 117 12.61 61.04 15.85 13.33 60.61 16.38 10.70 61.11 17.44 10.92 60.34 18.38 11.18 60.78 16.04 10.85 59.32 15.76 2 0 21.49-999 ?-999 ?-999 ? O5 UNL A 288 mPRO~A 118 10.04 62.27 17.60 10.06 62.87 16.80 8.27 61.60 19.26 8.12 61.35 20.45 9.34 62.61 18.84 8.72 63.97 18.52 3 0 20.52-999 ?-999 ?-999 ? O5 UNL A 288 mGLU~A 119 7.55 61.02 18.29 7.74 61.35 17.37 7.27 58.76 19.26 6.88 58.33 20.34 6.58 59.98 18.62 5.74 59.56 17.39 2 0 23.11-999 ?-999 ?-999 ? O5 UNL A 288 mASP~A 120 8.33 58.24 18.64 8.59 58.73 17.80 9.62 57.29 20.53 9.59 56.41 21.41 9.02 57.05 19.16 10.13 56.61 18.20 2 0 21.67-999 ?-999 ?-999 ? O5 UNL A 288 mLEU~A 121 10.18 58.47 20.73 10.17 59.08 19.94 9.65 58.96 23.09 9.77 58.44 24.20 10.76 58.79 22.02 11.63 60.05 21.90 3 0 18.14-999 ?-999 ?-999 ? O5 UNL A 288 mGLU~A 122 8.57 59.65 22.73 8.60 60.02 21.80 6.83 58.51 24.05 6.40 58.34 25.20 7.45 59.85 23.65 6.40 60.77 23.04 2 0 19.74-999 ?-999 ?-999 ? O5 UNL A 288 mGLU~A 123 6.77 57.58 23.10 7.05 57.89 22.19 7.27 55.56 24.41 6.79 54.89 25.33 6.33 56.21 23.39 6.23 55.35 22.11 2 0 21.86-999 ?-999 ?-999 ? O5 UNL A 288 mGLU~A 124 8.58 55.78 24.27 8.84 56.34 23.49 9.41 55.88 26.61 9.60 55.23 27.63 9.54 55.21 25.23 10.96 55.29 24.68 2 0 18.91-999 ?-999 ?-999 ? O5 UNL A 288 mVAL~A 125 9.08 57.17 26.63 9.03 57.60 25.72 7.62 57.30 28.60 7.68 57.06 29.81 8.82 57.89 27.88 8.59 59.41 27.64 3 0 17.40-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 126 6.53 57.08 27.88 6.60 57.41 26.93 5.68 55.03 29.04 5.10 54.63 30.05 5.34 56.42 28.44 4.25 56.27 27.37 2 0 20.75-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 127 6.61 54.32 28.42 6.94 54.76 27.58 7.75 53.22 30.27 7.46 52.51 31.23 7.10 53.03 28.91 8.14 52.45 27.93 2 0 20.88-999 ?-999 ?-999 ? O1 UNL A 288 mMETA 128 8.63 54.21 30.34 8.70 54.74 29.50 8.61 54.97 32.72 8.95 54.69 33.86 9.43 54.48 31.53 10.51 55.50 31.19 2 0 17.62-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 129 7.53 55.69 32.46 7.39 55.87 31.48 6.01 55.05 34.36 5.61 55.28 35.51 6.65 56.18 33.52 5.55 57.07 32.93 3 0 18.76-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 130 5.92 53.86 33.78 6.25 53.84 32.84 6.41 52.01 35.38 6.05 51.15 36.18 5.38 52.69 34.47 4.85 51.68 33.45 2 0 21.65-999 ?-999 ?-999 ? O1 UNL A 288 mASP.A 131 7.68 52.37 35.25 7.86 53.04 34.53 8.74 52.46 37.51 8.51 53.67 37.66 8.71 51.79 36.12 10.09 51.85 35.44 2 0 19.67-999 ?-999 ?-999 ? O1 UNL A 288 mLYS.A 132 9.01 51.65 38.54 9.14 50.69 38.28 10.46 52.77 40.12 11.48 52.21 39.69 9.09 52.13 39.91 8.85 50.97 40.91 2 0 19.81-999 ?-999 ?-999 ? O1 UNL A 288 mLEU.A 133 10.49 53.95 40.75 9.58 54.35 40.89 12.38 53.71 42.26 11.67 53.10 43.06 11.74 54.58 41.18 11.49 55.99 41.73 3 0 16.80-999 ?-999 ?-999 ? O1 UNL A 288 mTYR.A 134 13.72 53.62 42.26 14.17 54.12 41.52 14.10 53.42 44.66 13.80 52.66 45.59 14.43 52.86 43.28 15.95 52.86 43.07 3 0 17.31-999 ?-999 ?-999 ? O1 UNL A 288 mILE^A 135 14.16 54.75 44.78 14.54 55.21 43.98 12.74 56.55 45.56 13.03 57.34 44.66 13.71 55.45 45.97 14.88 56.06 46.77 3 0 17.57-999 ?-999 ?-999 ? O1 UNL A 288 mASP^A 136 11.61 56.60 46.25 11.57 55.97 47.03 10.00 58.22 47.12 9.18 57.68 47.85 10.52 57.49 45.88 9.39 56.70 45.22 2 0 18.47-999 ?-999 ?-999 ? O1 UNL A 288 mASP~A 137 10.50 59.43 47.34 11.20 59.71 46.69 9.10 61.37 47.96 9.03 62.43 48.56 10.05 60.27 48.45 11.26 60.91 49.13 2 0 19.54-999 ?-999 ?-999 ? O1 UNL A 288 mSER~A 138 8.37 61.09 46.88 8.44 60.15 46.56 6.24 62.44 46.99 5.66 63.51 46.77 7.54 62.12 46.23 7.21 61.70 44.80 2 0 19.58-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 139 5.80 61.54 47.88 6.31 60.68 47.86 5.05 62.85 49.83 4.30 63.78 50.08 4.67 61.82 48.78 4.15 60.55 49.48 2 0 23.40-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 140 6.21 62.67 50.46 6.63 61.77 50.30 6.92 65.05 50.53 6.59 66.11 51.04 6.79 63.71 51.31 8.17 63.29 51.84 2 0 23.29-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 141 7.43 64.99 49.29 7.66 64.06 49.00 6.29 66.92 48.21 6.18 68.15 48.38 7.62 66.20 48.47 8.28 65.83 47.15 3 0 20.66-999 ?-999 ?-999 ? O8 UNL A 288 mPHE~A 142 5.29 66.12 47.83 5.56 65.16 47.75 3.41 67.42 48.72 2.94 68.53 48.52 3.94 66.58 47.56 3.04 65.35 47.27 3 0 23.09-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 143 3.54 66.89 49.94 4.05 66.04 49.95 3.74 68.79 51.50 3.14 69.79 51.90 2.97 67.52 51.12 2.96 66.53 52.28 2 0 25.95-999 ?-999 ?-999 ? O8 UNL A 288 mGLU~A 144 5.07 68.75 51.35 5.41 67.85 51.07 5.63 71.03 50.60 5.56 72.19 50.98 5.94 69.90 51.59 7.41 69.50 51.45 2 0 23.97-999 ?-999 ?-999 ? O8 UNL A 288 mVAL~A 145 5.44 70.64 49.34 5.58 69.66 49.19 3.74 72.25 48.53 3.62 73.47 48.34 5.08 71.57 48.27 5.09 70.84 46.86 3 0 23.03-999 ?-999 ?-999 ? O8 UNL A 288 mLYS~A 146 2.73 71.49 48.95 2.96 70.52 49.05 1.48 73.11 50.35 0.77 74.11 50.31 1.41 72.06 49.23 0.39 70.97 49.58 2 0 26.72-999 ?-999 ?-999 ? O8 UNL A 288 mARG~A 147 2.37 72.89 51.31 2.90 72.05 51.18 3.58 74.94 52.28 3.59 75.89 53.06 2.56 73.79 52.46 2.96 72.93 53.67 2 0 27.80-999 ?-999 ?-999 ? O8 UNL A 288 mALA~A 148 4.46 74.84 51.27 4.34 74.03 50.70 4.93 77.21 50.69 3.89 77.29 50.01 5.51 75.85 51.04 6.46 75.39 49.91 2 0 25.29-999 ?-999 ?-999 ? O8 UNL A 288 mGLU.A 149 5.61 78.27 51.14 6.31 78.03 51.81 6.30 80.02 49.55 5.99 80.87 48.72 5.34 79.64 50.69 5.53 80.65 51.82 2 0 26.73-999 ?-999 ?-999 ? O8 UNL A 288 mASN^A 150 7.48 79.41 49.56 7.61 78.80 50.34 9.11 78.29 48.19 9.38 77.44 49.07 8.48 79.62 48.54 9.57 80.59 49.03 2 0 23.40-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 151 9.32 78.08 46.89 9.01 78.82 46.29 11.09 77.31 45.42 10.93 78.25 44.59 9.97 76.89 46.38 8.96 75.95 45.63 3 0 19.90-999 ?-999 ?-999 ? O8 UNL A 288 mLEU^A 152 12.21 76.61 45.52 12.22 75.95 46.27 13.52 75.52 43.82 13.63 74.45 44.39 13.32 76.81 44.60 14.57 77.22 45.36 3 0 16.65-999 ?-999 ?-999 ? O8 UNL A 288 mTYR^A 153 13.51 75.64 42.50 13.38 76.58 42.19 15.01 74.70 40.83 15.15 75.68 40.10 13.67 74.50 41.59 12.50 74.47 40.58 3 0 13.86-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 154 15.97 73.80 41.03 15.68 73.02 41.59 17.45 72.96 39.30 17.45 71.75 39.49 17.30 73.93 40.48 18.39 73.65 41.53 3 0 10.45-999 ?-999 ?-999 ? O8 UNL A 288 mTHR.A 155 17.54 73.50 38.10 17.61 74.50 38.11 18.92 72.11 36.61 19.89 72.35 37.34 17.55 72.72 36.88 17.08 73.58 35.65 2 0 8.76-999 ?-999 ?-999 ? O8 UNL A 288 mASP.A 156 18.97 71.30 35.57 18.09 71.17 35.10 20.36 70.93 33.65 20.79 72.01 33.29 20.18 70.66 35.15 20.11 69.20 35.53 2 0 -5.61-999 ?-999 ?-999 ? O8 UNL A 288s mASN.A 157 19.98 69.98 32.80 19.45 69.25 33.23 19.22 70.60 30.51 18.07 70.65 30.92 20.33 70.01 31.37 20.71 68.60 30.90 2 0 -6.50-999 ?-999 ?-999 ? O1 UNL A 288s mVAL.A 158 19.61 71.10 29.33 20.59 71.21 29.21 17.95 70.16 27.81 18.55 69.10 27.84 18.62 71.45 28.33 19.21 72.31 27.17 3 0 10.01-999 ?-999 ?-999 ? O1 UNL A 288 mGLY~A 159 16.71 70.27 27.36 16.38 71.21 27.29 15.11 68.73 28.21 13.91 68.90 28.27 15.91 69.11 26.99-999.99-999.99-999.99 1 0 11.26-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 160 15.81 68.21 29.20 16.76 68.02 28.97 14.38 69.09 31.02 13.39 68.84 31.69 15.26 67.94 30.50 16.44 67.69 31.47 2 0 9.30-999 ?-999 ?-999 ? O1 UNL A 288 mHIS~A 161 14.77 70.33 30.75 15.55 70.39 30.14 12.65 71.68 30.81 11.84 72.32 31.47 14.08 71.50 31.32 14.93 72.77 31.15 3 0 11.52-999 ?-999 ?-999 ? O1 UNL A 288 mTYR~A 162 12.34 71.08 29.65 13.13 70.69 29.17 10.09 70.04 29.99 8.89 70.24 30.16 10.96 71.02 29.16 10.91 70.65 27.67 3 0 14.56-999 ?-999 ?-999 ? O1 UNL A 288 mPHE~A 163 10.72 68.99 30.50 11.68 68.90 30.22 9.92 68.72 32.79 8.86 68.68 33.41 10.05 68.06 31.40 10.79 66.72 31.44 3 0 13.75-999 ?-999 ?-999 ? O1 UNL A 288 mASP~A 164 10.98 69.39 33.24 11.80 69.30 32.67 9.71 71.15 34.44 9.00 71.31 35.44 10.90 70.18 34.46 12.20 70.95 34.69 2 0 13.17-999 ?-999 ?-999 ? O1 UNL A 288 mALA~A 165 9.49 71.80 33.29 10.14 71.58 32.56 7.01 72.09 33.40 6.09 72.73 33.94 8.37 72.75 33.15 8.40 73.40 31.79 2 0 16.62-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 166 6.86 70.82 32.99 7.65 70.45 32.48 5.45 69.89 34.80 4.36 70.11 35.34 5.64 70.07 33.28 5.62 68.69 32.56 3 0 18.17-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 167 6.52 69.52 35.50 7.35 69.36 34.97 6.12 70.75 37.64 5.30 70.83 38.56 6.42 69.38 36.96 7.69 68.73 37.54 3 0 17.32-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 168 6.77 71.82 37.16 7.39 71.62 36.40 5.12 73.63 37.55 4.55 74.23 38.48 6.56 73.15 37.74 7.56 74.16 37.17 3 0 18.60-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 169 4.53 73.35 36.39 5.14 72.95 35.70 2.27 72.86 37.19 1.39 73.45 37.81 3.12 73.60 36.15 2.71 73.16 34.74 2 0 21.72-999 ?-999 ?-999 ? O1 UNL A 288 mLYS~A 170 2.55 71.56 37.38 3.28 71.21 36.80 1.98 71.38 39.76 1.00 71.52 40.48 1.83 70.76 38.38 2.30 69.30 38.39 2 0 22.28-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 171 3.20 71.81 40.11 3.92 71.62 39.44 2.51 73.75 41.52 1.86 73.95 42.56 3.41 72.50 41.40 4.90 72.86 41.61 3 0 22.02-999 ?-999 ?-999 ? O1 UNL A 288 mARG~A 172 2.46 74.57 40.47 3.05 74.28 39.71 0.09 75.46 40.65 -0.66 76.27 41.22 1.59 75.77 40.45 1.77 76.55 39.14 2 0 24.63-999 ?-999 ?-999 ? O1 UNL A 288 mGLU~A 173 -0.34 74.29 40.19 0.36 73.74 39.73 -2.05 73.56 41.81 -3.15 73.84 42.25 -1.72 73.86 40.36 -2.00 72.62 39.52 2 0 26.87-999 ?-999 ?-999 ? O1 UNL A 288 mILE~A 174 -1.11 72.99 42.56 -0.20 72.97 42.14 -0.86 73.22 45.06 -1.03 72.82 46.21 -1.42 72.43 43.88 -0.95 70.96 43.99 3 0 27.15-999 ?-999 ?-999 ? O1 UNL A 288 mSER~A 175 -0.21 74.34 44.77 -0.24 74.60 43.81 0.31 76.60 45.49 0.18 77.00 44.34 0.49 75.12 45.79 1.98 74.75 45.80 2 0 26.84-999 ?-999 ?-999 ? O8 UNL A 288 mASN.A 176 0.29 77.41 46.54 0.28 76.94 47.42 1.70 79.45 46.58 1.86 80.66 46.72 0.29 78.87 46.40 -0.69 79.50 47.39 2 0 28.51-999 ?-999 ?-999 ? O8 UNL A 288 mALA.A 177 2.72 78.60 46.56 2.47 77.64 46.44 4.54 79.88 45.51 4.14 79.60 44.36 4.10 79.05 46.72 5.02 77.88 46.91 2 0 25.57-999 ?-999 ?-999 ? O8 UNL A 288 mGLU^A 178 5.36 80.91 45.77 5.36 81.20 46.72 7.26 80.53 44.37 7.93 79.99 45.26 6.16 81.53 44.72 6.76 82.89 45.17 2 0 24.53-999 ?-999 ?-999 ? O8 UNL A 288 mVAL^A 179 7.40 80.26 43.08 6.74 80.73 42.50 9.58 80.15 41.93 9.36 80.97 41.02 8.44 79.35 42.57 7.89 78.35 41.53 3 0 20.88-999 ?-999 ?-999 ? O8 UNL A 288 mTYR^A 180 10.79 79.92 42.44 10.80 79.35 43.25 12.59 79.30 41.06 12.55 78.14 41.52 11.98 80.46 41.84 12.93 80.99 42.92 3 0 18.83-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 181 13.09 79.59 39.86 13.05 80.56 39.61 15.03 78.93 38.58 15.19 79.96 37.92 13.64 78.53 38.99 12.77 78.31 37.74 3 0 15.72-999 ?-999 ?-999 ? O8 UNL A 288 mALA^A 182 16.04 78.14 38.97 15.76 77.26 39.37 18.09 77.79 37.69 18.08 76.53 37.68 17.42 78.56 38.80 18.22 78.39 40.12 2 0 13.39-999 ?-999 ?-999 ? O8 UNL A 288 mGLY^A 183 18.72 78.55 36.79 18.53 79.52 36.88 21.00 78.64 35.85 21.25 79.52 36.67 19.61 78.02 35.76-999.99-999.99-999.99 1 0 11.72-999 ?-999 ?-999 ? O8 UNL A 288 mLYS.A 184 21.89 78.20 34.97 21.57 77.50 34.34 23.30 80.13 34.34 22.40 80.55 33.61 23.24 78.74 34.95 24.22 77.75 34.27 2 0 11.52-999 ?-999 ?-999 ? O8 UNL A 288 mGLU.A 185 24.34 80.87 34.70 24.93 80.42 35.37 24.93 82.14 32.65 24.62 83.06 31.91 24.60 82.20 34.17 25.77 82.80 34.95 2 0 11.41-999 ?-999 ?-999 ? C1 EDO A 291 mGLY.A 186 25.57 81.07 32.22 25.66 80.34 32.90 26.36 79.49 30.62 26.26 78.68 31.56 26.10 80.97 30.87-999.99-999.99-999.99 1 0 8.81-999 ?-999 ?-999 ? C1 EDO A 291 mPRO.A 187 26.62 79.13 29.35 26.71 79.88 28.70 27.88 76.98 29.75 28.96 77.49 29.95 26.77 77.73 28.99 27.07 77.79 27.48 3 0 8.46-999 ?-999 ?-999 ? C2 EDO A 291 mILE.A 188 27.57 75.77 30.16 26.59 75.57 30.07 28.00 73.43 30.35 26.86 73.12 30.69 28.57 74.82 30.67 28.84 75.00 32.18 3 0 8.48-999 ?-999 ?-999 ? O1 EDO A 291 mILE.A 189 28.78 72.67 29.59 29.69 73.07 29.45 26.93 71.54 28.45 26.67 72.54 27.77 28.36 71.39 29.01 28.57 70.24 30.02 3 0 7.08-999 ?-999 ?-999 ? O6 UNL A 288 mASN.A 190 26.01 70.62 28.75 26.37 69.86 29.30 23.65 71.38 29.27 22.43 71.31 29.06 24.62 70.73 28.30 24.10 69.35 27.93 2 0 6.74-999 ?-999 ?-999 ? O6 UNL A 288 mASP.A 191 24.16 72.04 30.31 25.16 72.09 30.34 22.43 73.80 30.79 22.87 74.61 29.97 23.27 72.65 31.31 24.05 73.14 32.53 2 0 7.34-999 ?-999 ?-999 ? O7 UNL A 288 mALA.A 192 21.21 73.88 31.32 21.00 73.16 31.98 20.70 76.21 31.64 20.96 76.26 32.86 20.28 74.93 30.98 18.89 74.55 31.44 2 0 10.29-999 ?-999 ?-999 ? O7 UNL A 288 mTHR~A 193 20.76 77.27 30.84 20.59 77.05 29.88 19.74 79.35 31.57 18.67 78.88 31.20 21.04 78.60 31.32 21.85 79.42 30.29 2 0 12.87-999 ?-999 ?-999 ? O8 UNL A 288 mVAL~A 194 19.85 80.51 32.20 20.78 80.74 32.49 18.00 81.70 31.12 16.78 81.68 31.05 18.70 81.37 32.43 19.01 82.67 33.25 3 0 15.69-999 ?-999 ?-999 ? O8 UNL A 288 mGLU~A 195 18.77 81.94 30.06 19.75 81.95 30.25 17.37 80.97 28.22 16.30 81.13 27.63 18.16 82.18 28.74 19.24 82.62 27.74 2 0 16.17-999 ?-999 ?-999 ? O2 EDO A 291 mASP~A 196 17.90 79.76 28.41 18.82 79.77 28.81 15.83 78.46 28.79 14.82 78.12 28.20 17.17 78.54 28.06 18.00 77.29 28.34 2 0 15.81-999 ?-999 ?-999 ? O7 UNL A 288 mLEU~A 197 15.83 78.82 30.08 16.69 79.18 30.43 13.60 79.70 30.42 12.42 79.38 30.30 14.64 78.69 30.89 14.97 78.89 32.36 3 0 16.06-999 ?-999 ?-999 ? O8 UNL A 288 mLYS~A 198 14.05 80.91 30.11 15.03 81.05 30.26 12.57 81.57 28.25 11.41 81.89 27.98 13.17 81.94 29.61 13.92 83.27 29.51 2 0 19.73-999 ?-999 ?-999 ? O8 UNL A 288 mARG~A 199 13.34 80.92 27.40 14.27 80.74 27.74 11.85 79.37 26.17 11.02 79.22 25.31 12.85 80.50 26.08 13.99 80.04 25.19 2 0 20.36-999 ?-999 ?-999 ? O1 UNL A 288 mALA~A 200 11.96 78.56 27.21 12.76 78.72 27.78 9.69 78.08 28.08 8.77 77.32 28.36 10.97 77.52 27.45 11.55 76.41 28.32 2 0 18.77-999 ?-999 ?-999 ? O1 UNL A 288 mGLY~A 201 9.62 79.40 28.29 10.46 79.88 28.06 8.28 80.07 30.33 7.26 80.46 30.88 8.40 80.07 28.81-999.99-999.99-999.99 1 0 21.73-999 ?-999 ?-999 ? O1 UNL A 288 mLEU~A 202 9.34 79.65 31.02 10.15 79.47 30.45 9.02 80.73 33.31 8.57 80.62 34.45 9.30 79.48 32.48 10.57 78.80 32.95 3 0 19.86-999 ?-999 ?-999 ? O8 UNL A 288 mGLU~A 203 9.23 81.92 32.75 9.63 81.88 31.83 7.38 83.32 33.68 6.94 84.10 34.53 8.88 83.17 33.45 9.39 84.40 32.69 2 0 22.42-999 ?-999 ?-999 ? O8 UNL A 288 mLYS~A 204 6.59 82.57 32.90 7.08 82.08 32.18 4.77 81.72 34.37 3.69 81.93 34.93 5.14 82.50 33.10 4.46 81.87 31.87 2 0 24.80-999 ?-999 ?-999 ? O8 UNL A 288 mLEU~A 205 5.66 80.84 34.81 6.51 80.84 34.28 6.08 80.39 37.26 5.59 80.10 38.34 5.41 79.95 35.95 5.84 78.53 35.62 3 0 22.86-999 ?-999 ?-999 ? O8 UNL A 288 mGLY.A 206 7.19 81.11 37.16 7.45 81.33 36.22 8.99 82.57 38.03 9.10 83.04 36.89 7.93 81.53 38.34-999.99-999.99-999.99 1 0 21.84-999 ?-999 ?-999 ? O8 UNL A 288 mLYS^A 207 9.75 82.94 39.06 9.49 82.55 39.94 12.10 83.05 38.43 12.65 82.23 39.18 10.87 83.84 38.88 11.16 84.67 40.14 2 0 21.47-999 ?-999 ?-999 ? O8 UNL A 288 mVAL^A 208 12.51 83.29 37.19 11.92 83.91 36.67 14.93 83.46 37.13 15.03 84.68 36.91 13.72 82.68 36.65 13.69 82.54 35.11 3 0 18.70-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 209 15.85 82.76 37.80 15.63 81.79 37.91 18.30 82.59 37.92 18.22 81.42 37.58 17.05 83.38 38.32 16.99 83.52 39.87 3 0 17.71-999 ?-999 ?-999 ? O8 UNL A 288 mSER^A 210 19.44 83.27 37.98 19.32 84.24 38.19 21.34 82.16 39.06 21.09 82.75 40.12 20.74 82.66 37.74 21.67 83.72 37.17 2 0 15.75-999 ?-999 ?-999 ? O8 UNL A 288 mTHR.A 211 22.13 81.08 39.00 22.05 80.57 38.14 24.19 81.73 40.23 24.87 81.77 41.25 23.05 80.71 40.10 23.68 79.33 39.87 2 0 13.82-999 ?-999 ?-999 ? O8 UNL A 288 mGLY.A 212 24.40 82.52 39.17 23.73 82.41 38.44 26.82 82.84 38.64 27.86 83.49 38.68 25.52 83.45 39.10-999.99-999.99-999.99 1 0 13.72-999 ?-999 ?-999 ? O1 EDO A 291 mTHR.A 213 26.80 81.59 38.18 25.90 81.15 38.17 27.76 80.08 36.51 26.63 79.72 36.22 28.01 80.96 37.73 28.64 80.04 38.85 2 0 10.69-999 ?-999 ?-999 ? O1 EDO A 291 mARG.A 214 28.85 79.68 35.85 29.68 80.11 36.19 29.43 77.39 35.23 30.16 76.70 34.52 28.82 78.70 34.74 29.60 79.25 33.55 2 0 8.15-999 ?-999 ?-999 ? O1 EDO A 291 mILE.A 215 29.10 77.05 36.47 28.51 77.71 36.93 28.37 74.88 37.26 27.26 75.32 37.61 29.56 75.81 37.08 30.28 76.15 38.40 3 0 9.81-999 ?-999 ?-999 ? O8 UNL A 288 mVAL.A 216 28.59 73.60 36.94 29.50 73.43 36.56 27.23 72.48 38.62 28.10 72.63 39.49 27.60 72.55 37.12 28.17 71.17 36.66 3 0 6.01-999 ?-999 ?-999 ? O8 UNL A 288 mGLY.A 217 25.96 72.27 38.91 25.35 72.17 38.12 25.46 73.57 40.98 25.16 74.54 40.37 25.52 72.21 40.29-999.99-999.99-999.99 1 0 6.11-999 ?-999 ?-999 ? O8 UNL A 288 mVAL.A 218 25.74 73.59 42.27 26.11 72.73 42.62 26.71 74.93 43.97 26.72 74.42 45.10 25.53 74.77 43.10 24.32 74.60 44.04 3 0 9.84-999 ?-999 ?-999 ? O8 UNL A 288 mPRO.A 219 27.73 75.63 43.47 27.60 75.95 42.53 28.72 76.99 45.27 28.80 78.19 44.96 28.93 75.90 44.24 29.94 76.34 43.17 3 0 12.22-999 ?-999 ?-999 ? O8 UNL A 288 mLEU.A 220 28.48 76.56 46.51 28.70 75.59 46.64 28.90 78.58 47.93 28.44 79.58 48.42 27.96 77.43 47.56 27.59 76.61 48.79 3 0 15.21-999 ?-999 ?-999 ? O8 UNL A 288 mLYS.A 221 30.18 78.45 47.65 30.45 77.54 47.33 31.16 80.56 46.64 31.74 81.64 46.75 31.11 79.58 47.81 32.52 79.05 48.06 2 0 13.74-999 ?-999 ?-999 ? O1 EDO A 289 mLEU.A 222 30.58 80.18 45.50 30.09 79.31 45.55 29.36 81.56 43.79 29.36 82.47 42.97 30.70 81.00 44.28 31.37 80.20 43.15 3 0 11.78-999 ?-999 ?-999 ? O1 EDO A 289 mVAL.A 223 28.24 81.05 44.30 28.38 80.36 45.01 26.60 82.95 44.22 27.16 83.47 45.18 26.93 81.51 43.81 25.78 80.59 44.25 3 0 14.79-999 ?-999 ?-999 ? O1 EDO A 289 mSER~A 224 25.68 83.57 43.47 25.24 83.00 42.78 24.60 85.17 44.96 23.94 84.26 45.47 25.35 84.96 43.66 24.48 85.49 42.53 2 0 17.07-999 ?-999 ?-999 ? O1 EDO A 289 mARG~A 225 24.69 86.39 45.49 25.35 86.98 45.03 22.39 86.63 46.33 21.65 86.18 47.20 23.89 86.78 46.63 24.21 88.21 47.05 2 0 20.22-999 ?-999 ?-999 ? O1 EDO A 289 mGLU~A 226 21.97 86.97 45.11 22.67 87.35 44.52 20.15 85.30 44.80 19.08 84.98 45.31 20.56 86.76 44.71 20.30 87.27 43.28 2 0 21.34-999 ?-999 ?-999 ? O8 UNL A 288 mPHE~A 227 21.01 84.40 44.33 21.85 84.75 43.93 20.63 82.57 45.91 19.74 81.83 46.31 20.68 83.00 44.43 21.69 82.13 43.67 3 0 17.85-999 ?-999 ?-999 ? O8 UNL A 288 mMETA 228 21.60 83.02 46.70 22.25 83.63 46.25 20.44 83.09 48.87 19.94 82.40 49.75 21.67 82.64 48.12 22.90 83.24 48.78 2 0 19.28-999 ?-999 ?-999 ? O8 UNL A 288 mGLU~A 229 19.96 84.28 48.52 20.51 84.76 47.84 17.51 83.93 48.72 16.65 83.69 49.56 18.72 84.79 49.09 18.49 86.24 48.69 2 0 22.15-999 ?-999 ?-999 ? O8 UNL A 288 mALA~A 230 17.45 83.43 47.49 18.19 83.72 46.89 16.50 81.16 47.78 15.51 80.53 48.18 16.37 82.52 47.08 16.37 82.35 45.57 2 0 20.09-999 ?-999 ?-999 ? O8 UNL A 288 mPHE~A 231 17.73 80.69 47.89 18.42 81.28 47.48 17.58 79.50 50.03 16.87 78.62 50.54 18.02 79.43 48.54 19.52 79.14 48.39 3 0 18.12-999 ?-999 ?-999 ? O8 UNL A 288 mASN~A 232 17.99 80.56 50.71 18.61 81.15 50.20 15.99 80.92 52.25 15.43 80.42 53.23 17.52 80.79 52.08 18.17 82.05 52.67 2 0 21.60-999 ?-999 ?-999 ? O8 UNL A 288 mLYS~A 233 15.34 81.57 51.29 15.92 81.86 50.53 13.07 80.55 51.16 11.98 80.39 51.71 13.90 81.83 51.38 13.51 82.90 50.35 2 0 23.19-999 ?-999 ?-999 ? O8 UNL A 288 mALA~A 234 13.60 79.64 50.36 14.50 79.89 50.01 12.42 77.59 51.22 13.14 77.43 52.19 12.91 78.39 50.02 13.85 77.50 49.19 2 0 20.83-999 ?-999 ?-999 ? O8 UNL A 288 mASP.A 235 11.22 77.04 51.13 10.66 77.36 50.36 11.00 74.65 51.58 11.14 73.70 52.36 10.77 76.05 52.10 9.31 76.28 52.42 2 0 22.41-999 ?-999 ?-999 ? O8 UNL A 288 mVAL^A 236 11.04 74.52 50.27 10.81 75.35 49.77 12.29 73.63 48.47 12.04 74.64 47.79 11.39 73.27 49.62 10.13 72.57 49.02 3 0 19.37-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 237 13.32 72.80 48.27 13.39 72.09 48.96 14.22 71.57 46.35 14.39 70.50 46.90 14.25 72.90 47.15 15.68 73.22 47.68 3 0 15.68-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 238 13.94 71.67 45.06 13.68 72.59 44.78 15.26 70.69 43.30 15.42 71.71 42.63 13.99 70.51 44.14 12.73 70.47 43.25 3 0 13.29-999 ?-999 ?-999 ? O8 UNL A 288 mALA^A 239 16.16 69.71 43.39 15.87 68.95 43.97 17.52 68.57 41.72 17.43 67.40 42.12 17.45 69.73 42.70 18.57 69.61 43.72 2 0 9.59-999 ?-999 ?-999 ? O8 UNL A 288 mLYS^A 240 17.67 68.90 40.45 17.68 69.89 40.30 19.25 67.55 39.12 20.14 68.42 38.96 17.80 67.94 39.37 17.26 68.55 38.07 2 0 7.27-999 ?-999 ?-999 ? O8 UNL A 288 mGLY~A 241 19.47 66.24 39.04 18.74 65.67 39.43 21.81 65.50 39.42 21.75 65.93 40.58 20.68 65.71 38.45-999.99-999.99-999.99 1 0 4.46-999 ?-999 ?-999 ? O1 UNL A 288 mGLN~A 242 22.86 64.86 38.93 22.79 64.67 37.95 24.82 65.64 40.27 25.30 65.62 41.40 24.01 64.46 39.75 24.96 63.56 38.95 2 0 -4.32-999 ?-999 ?-999 ? O8 UNL A 288s mGLY~A 243 25.06 66.61 39.41 24.64 66.47 38.51 25.30 68.57 40.94 26.02 68.93 41.88 25.87 67.78 39.77-999.99-999.99-999.99 1 0 -3.43-999 ?-999 ?-999 ? O8 UNL A 288s mASN~A 244 24.00 68.86 40.87 23.56 68.60 40.01 23.39 68.64 43.23 23.65 69.15 44.33 23.29 69.49 41.96 21.84 69.80 41.58 2 0 5.84-999 ?-999 ?-999 ? O8 UNL A 288 mPHE~A 245 23.24 67.33 43.08 23.01 67.03 42.16 24.85 66.51 44.83 25.03 66.64 46.03 23.43 66.45 44.23 23.08 65.01 43.86 3 0 7.73-999 ?-999 ?-999 ? O8 UNL A 288 mGLU~A 246 25.87 66.42 44.01 25.63 66.35 43.04 27.55 67.66 45.30 28.28 67.62 46.28 27.23 66.41 44.51 28.22 66.34 43.36 2 0 8.39-999 ?-999 ?-999 ? O8 UNL A 288 mTHR~A 247 27.04 68.79 44.85 26.42 68.69 44.06 26.51 70.35 46.69 26.92 71.17 47.53 27.36 70.05 45.46 27.22 71.22 44.46 2 0 9.64-999 ?-999 ?-999 ? O8 UNL A 288 mLEU~A 248 25.32 69.74 46.79 25.15 69.07 46.06 24.28 68.97 48.94 23.70 69.24 49.99 24.38 70.04 47.88 22.96 70.31 47.34 3 0 11.54-999 ?-999 ?-999 ? O8 UNL A 288 mSER~A 249 24.83 67.79 48.67 25.31 67.77 47.80 25.52 66.84 50.86 25.27 66.19 51.85 24.75 66.62 49.56 25.31 65.38 48.87 2 0 12.95-999 ?-999 ?-999 ? O8 UNL A 288 mGLU.A 250 26.49 67.75 50.81 26.60 68.18 49.91 26.49 68.69 53.14 26.85 68.50 54.29 27.30 68.11 51.97 28.42 69.09 51.54 2 0 15.59-999 ?-999 ?-999 ? O8 UNL A 288 mILE.A 251 25.40 69.41 52.86 25.09 69.35 51.91 23.58 69.46 54.55 22.91 68.65 53.91 24.74 70.20 53.91 24.31 71.59 53.39 3 0 17.49-999 ?-999 ?-999 ? O8 UNL A 288 mASN.A 252 23.36 69.72 55.84 23.99 70.38 56.24 21.05 69.96 56.51 20.86 70.90 57.29 22.30 69.08 56.60 22.73 68.80 58.05 2 0 20.15-999 ?-999 ?-999 ? O8 UNL A 288 mASP.A 253 20.22 69.64 55.53 20.41 68.76 55.11 18.07 69.62 54.49 18.18 69.19 53.35 19.13 70.50 55.10 19.67 71.51 54.09 2 0 19.48-999 ?-999 ?-999 ? O8 UNL A 288 mSER.A 254 17.03 69.35 55.26 17.06 69.81 56.15 14.93 69.11 53.88 13.95 68.48 53.49 15.95 68.46 54.84 15.22 67.96 56.08 2 0 20.14-999 ?-999 ?-999 ? O8 UNL A 288 mARG.A 255 15.14 70.36 53.51 15.89 70.82 53.98 14.61 70.45 51.11 13.78 70.60 50.19 14.32 70.99 52.50 14.60 72.48 52.46 2 0 19.19-999 ?-999 ?-999 ? O8 UNL A 288 mILE^A 256 15.79 69.84 50.94 16.29 69.65 51.79 15.89 68.06 49.20 16.11 67.10 49.93 16.27 69.49 49.61 17.82 69.65 49.47 3 0 15.51-999 ?-999 ?-999 ? O8 UNL A 288 mPHE^A 257 15.30 67.97 48.01 15.14 68.86 47.59 15.72 66.56 46.08 15.68 67.44 45.23 14.93 66.71 47.38 13.45 66.72 47.05 3 0 14.41-999 ?-999 ?-999 ? O8 UNL A 288 mPHE^A 258 16.45 65.46 45.96 16.42 64.85 46.76 16.46 64.27 43.79 15.97 63.20 44.16 17.24 65.18 44.76 18.57 64.54 45.13 3 0 11.13-999 ?-999 ?-999 ? O8 UNL A 288 mLEU^A 259 16.32 64.73 42.56 16.74 65.62 42.42 16.69 63.75 40.46 17.10 64.68 39.77 15.63 64.00 41.51 14.50 64.83 40.91 3 0 10.14-999 ?-999 ?-999 ? O1 UNL A 288 mLEU^A 260 17.16 62.51 40.38 16.71 61.85 40.98 18.30 60.67 39.16 17.70 59.87 39.83 18.23 62.16 39.47 19.57 62.59 40.06 3 0 7.42-999 ?-999 ?-999 ? O1 UNL A 288 mLYS^A 261 19.07 60.35 38.12 19.25 61.12 37.51 21.04 59.00 38.34 21.83 59.88 37.96 19.58 59.02 37.89 19.53 58.66 36.41 2 0 7.75-999 ?-999 ?-999 ? O1 UNL A 288 mALA.A 262 21.39 57.97 39.11 20.64 57.35 39.34 23.62 57.13 38.49 24.01 55.96 38.58 22.77 57.78 39.58 22.80 56.99 40.86 2 0 8.81-999 ?-999 ?-999 ? O2 UNL A 288 mLYS.A 263 23.90 57.92 37.45 23.60 58.87 37.58 26.00 57.00 36.54 26.38 55.93 36.07 24.58 57.47 36.26 24.60 58.57 35.20 2 0 -7.43-999 ?-999 ?-999 ? O3 UNL A 288s mCYH~A 264 26.78 57.78 37.31 26.32 58.59 37.65 28.32 56.63 38.90 27.55 56.84 39.84 28.18 57.45 37.60 29.01 58.72 37.73 2 0 8.25-999 ?-999 ?-999 ? O3 UNL A 288 mPRO~A 265 29.34 55.74 38.97 29.94 55.71 38.17 29.88 55.65 41.44 29.50 55.23 42.53 29.51 54.89 40.16 30.66 53.94 39.78 3 0 11.93-999 ?-999 ?-999 ? O3 UNL A 288 mALA~A 266 30.61 56.76 41.30 30.92 56.93 40.37 29.65 58.15 43.12 29.56 58.15 44.34 30.92 57.63 42.44 31.79 58.79 41.99 2 0 11.83-999 ?-999 ?-999 ? O3 UNL A 288 mVAL~A 267 28.69 58.60 42.31 28.94 58.53 41.35 26.53 58.03 43.39 25.91 58.22 44.45 27.40 59.12 42.79 26.61 59.79 41.63 3 0 10.05-999 ?-999 ?-999 ? O3 UNL A 288 mALA~A 268 26.48 56.90 42.70 26.96 56.93 41.82 26.31 55.33 44.55 25.54 55.11 45.49 25.77 55.72 43.19 25.93 54.57 42.21 2 0 12.39-999 ?-999 ?-999 ? O3 UNL A 288 mARG~A 269 27.65 55.26 44.65 28.11 55.44 43.78 28.03 55.96 47.00 27.79 55.56 48.13 28.35 54.97 45.89 29.87 54.95 45.64 2 0 15.14-999 ?-999 ?-999 ? O3 UNL A 288 mGLU~A 270 28.04 57.25 46.68 28.31 57.43 45.73 26.20 58.22 48.06 25.87 58.31 49.24 27.69 58.29 47.65 28.04 59.69 47.11 2 0 14.54-999 ?-999 ?-999 ? O2 UNL A 288 mLEU~A 271 25.31 58.03 47.09 25.69 58.04 46.17 23.56 56.52 48.09 22.50 56.39 48.71 23.87 57.84 47.39 23.03 57.93 46.12 3 0 14.17-999 ?-999 ?-999 ? O2 UNL A 288 mLYS~A 272 24.47 55.54 47.99 25.30 55.82 47.49 23.10 53.47 47.83 22.17 52.96 48.47 24.27 54.20 48.54 24.09 54.26 50.08 2 0 17.25-999 ?-999 ?-999 ? O2 UNL A 288 mVAL.A 273 23.18 53.46 46.49 24.01 53.89 46.14 22.85 52.16 44.46 24.02 52.42 44.19 22.17 52.85 45.64 21.16 53.91 45.08 3 0 16.32-999 ?-999 ?-999 ? O2 UNL A 288 mPRO.A 274 22.14 51.26 43.76 21.21 51.08 44.09 23.04 51.58 41.49 22.37 52.61 41.35 22.74 50.62 42.60 21.67 49.61 42.15 3 0 16.39-999 ?-999 ?-999 ? O3 UNL A 288 mLYS.A 275 24.05 51.26 40.68 24.52 50.41 40.91 23.22 52.19 38.60 22.56 51.20 38.33 24.42 52.11 39.56 25.67 51.56 38.84 2 0 13.53-999 ?-999 ?-999 ? O3 UNL A 288 mGLY.A 276 22.94 53.39 38.11 23.55 54.12 38.43 20.46 53.75 37.83 19.45 53.89 37.14 21.83 53.61 37.19-999.99-999.99-999.99 1 0 11.78-999 ?-999 ?-999 ? O5 UNL A 288 mALA.A 277 20.41 53.73 39.16 21.29 53.62 39.61 18.50 55.28 39.71 19.19 56.31 39.70 19.13 53.88 39.86 19.29 53.50 41.34 2 0 13.01-999 ?-999 ?-999 ? O1 UNL A 288 mLEU^A 278 17.18 55.31 39.56 16.77 54.40 39.50 15.84 56.80 40.85 15.27 55.90 41.46 16.42 56.54 39.47 15.30 56.41 38.44 3 0 11.88-999 ?-999 ?-999 ? O1 UNL A 288 mVAL^A 279 16.00 58.03 41.34 16.43 58.68 40.72 14.87 59.70 42.79 15.15 60.63 42.06 15.56 58.36 42.69 16.73 58.39 43.71 3 0 12.89-999 ?-999 ?-999 ? O1 UNL A 288 mCYH^A 280 13.93 59.77 43.73 13.60 58.87 44.03 13.73 60.89 45.75 13.04 60.14 46.48 13.43 61.01 44.27 11.93 61.17 44.04 2 0 14.19-999 ?-999 ?-999 ? O1 UNL A 288 mMETA 281 14.79 61.56 46.19 15.18 62.21 45.54 15.51 62.59 48.30 16.27 63.46 47.92 15.30 61.32 47.51 16.63 60.62 47.43 2 0 15.45-999 ?-999 ?-999 ? O1 UNL A 288 mARG^A 282 14.84 62.65 49.45 14.20 61.89 49.60 16.43 63.64 51.02 16.87 62.57 51.41 15.03 63.73 50.39 13.97 63.65 51.46 2 0 17.10-999 ?-999 ?-999 ? O8 UNL A 288 mASN.A 283 17.12 64.78 51.09 16.68 65.53 50.60 18.21 64.54 53.28 17.32 65.09 53.93 18.40 64.92 51.80 18.83 66.39 51.71 2 0 16.54-999 ?-999 ?-999 ? O8 UNL A 288 mLYS.A 284 19.03 63.62 53.80 19.78 63.37 53.19 20.02 63.30 56.09 20.74 64.29 55.96 18.84 63.05 55.16 18.56 61.53 55.08 2 0 19.86-999 ?-999 ?-999 ? O8 UNL A 288 mLYS.B 2 54.59 63.59 16.57 54.67 63.23 15.64 53.77 63.17 18.93 53.73 61.94 18.75 54.47 64.14 17.95 53.74 65.50 17.91 2 0 15.59-999 ?-999 ?-999 ? O2 EDO A 290 mVAL.B 3 53.32 63.74 20.04 53.76 64.61 20.26 50.96 63.58 20.21 50.87 64.66 19.62 52.29 63.15 20.85 52.41 63.63 22.30 3 0 15.28-999 ?-999 ?-999 ? O8 UNL B 288 mGLN.B 4 49.95 62.72 20.32 50.17 61.88 20.82 47.67 63.31 20.87 47.90 62.95 22.02 48.64 63.00 19.76 48.17 61.82 18.92 2 0 13.63-999 ?-999 ?-999 ? O2 EDO A 290 mTYR.B 5 46.58 63.95 20.51 46.46 64.03 19.52 44.95 63.42 22.33 44.51 63.68 23.44 45.65 64.49 21.49 44.61 65.39 20.81 3 0 13.23-999 ?-999 ?-999 ? O2 EDO A 290 mGLU~B 6 44.79 62.23 21.77 45.12 62.17 20.83 45.10 60.52 23.59 44.66 59.71 24.40 44.19 61.13 22.51 43.81 60.00 21.57 2 0 14.57-999 ?-999 ?-999 ? O3 UNL B 288 mCYH~B 7 46.38 60.89 23.60 46.62 61.66 23.01 47.09 60.45 25.94 47.41 59.59 26.76 47.31 60.19 24.46 48.76 60.42 24.00 2 0 12.57-999 ?-999 ?-999 ? O3 UNL B 288 mLEU~B 8 46.51 61.60 26.29 46.28 62.21 25.53 45.28 60.90 28.28 45.55 60.32 29.34 46.27 61.89 27.69 45.81 63.32 27.92 3 0 14.80-999 ?-999 ?-999 ? O3 UNL B 288 mTHR~B 9 44.13 60.72 27.62 44.03 61.24 26.78 43.61 58.34 28.09 43.30 57.55 28.98 43.12 59.78 28.15 41.79 59.84 27.44 2 0 14.17-999 ?-999 ?-999 ? O3 UNL B 288 mCYH~B 10 44.36 58.00 27.07 44.47 58.72 26.38 45.87 56.40 28.20 45.79 55.35 28.83 44.97 56.67 26.99 45.78 56.53 25.71 2 0 10.38-999 ?-999 ?-999 ? O3 UNL B 288 mMETB 11 46.73 57.36 28.54 46.73 58.18 27.97 46.83 57.15 30.99 47.15 56.36 31.87 47.58 57.17 29.68 48.68 58.24 29.69 2 0 10.86-999 ?-999 ?-999 ? O3 UNL B 288 mALA~B 12 45.87 58.06 31.17 45.75 58.68 30.40 44.32 56.80 32.64 44.26 56.29 33.77 45.07 58.10 32.40 44.10 59.29 32.38 2 0 13.77-999 ?-999 ?-999 ? O3 UNL B 288 mASN~B 13 43.75 56.25 31.56 43.87 56.78 30.72 43.93 53.84 32.06 43.52 53.00 32.85 43.01 54.98 31.61 42.39 54.62 30.27 2 0 11.67-999 ?-999 ?-999 ? O6 UNL B 288 mGLN~B 14 45.16 53.81 31.55 45.34 54.51 30.86 46.53 53.02 33.43 46.65 52.06 34.17 46.14 52.82 31.99 47.39 52.86 31.13 2 0 9.23-999 ?-999 ?-999 ? O6 UNL B 288 mCYH~B 15 46.74 54.27 33.85 46.73 54.98 33.14 45.83 54.00 36.13 46.06 53.35 37.15 46.95 54.56 35.24 47.12 56.06 35.47 2 0 12.62-999 ?-999 ?-999 ? O6 UNL B 288 mGLN~B 16 44.61 54.25 35.74 44.55 54.80 34.90 43.47 52.24 36.58 43.17 51.68 37.62 43.47 53.76 36.49 42.17 54.20 35.88 2 0 13.46-999 ?-999 ?-999 ? O2 EDO B 289 mARG~B 17 43.77 51.58 35.48 43.94 52.16 34.68 44.90 49.60 36.44 44.69 48.61 37.14 43.83 50.11 35.48 44.06 49.55 34.07 2 0 11.43-999 ?-999 ?-999 ? O6 UNL B 288 mILE~B 18 46.06 50.29 36.49 46.11 51.05 35.84 46.69 50.02 38.87 46.99 49.07 39.64 47.14 49.94 37.41 48.42 50.81 37.22 3 0 12.34-999 ?-999 ?-999 ? O6 UNL B 288 mVAL~B 19 46.01 51.11 39.27 45.81 51.80 38.56 44.54 50.24 41.02 44.54 49.73 42.14 45.61 51.26 40.64 45.16 52.72 41.04 3 0 12.19-999 ?-999 ?-999 ? O2 EDO B 289 mGLU~B 20 43.63 49.94 40.10 43.73 50.46 39.25 43.17 47.55 40.50 42.71 46.82 41.37 42.60 48.94 40.31 41.60 48.91 39.14 2 0 15.29-999 ?-999 ?-999 ? O2 EDO B 289 mMETB 21 44.15 47.18 39.69 44.37 47.84 38.97 45.63 45.80 41.16 45.71 44.74 41.75 44.83 45.89 39.87 45.87 45.66 38.79 2 0 14.69-999 ?-999 ?-999 ? O6 UNL B 288 mALA~B 22 46.28 46.90 41.56 46.08 47.72 41.02 46.50 46.81 44.05 47.06 46.24 44.99 47.18 46.88 42.68 48.09 48.04 42.63 2 0 15.14-999 ?-999 ?-999 ? C2 EDO B 289 mTHR~B 23 45.33 47.43 44.17 44.97 47.84 43.33 43.15 47.59 45.35 42.62 48.13 44.38 44.66 47.48 45.46 45.17 48.69 46.28 2 0 14.78-999 ?-999 ?-999 ? C2 EDO B 289 mGLN.B 24 42.46 47.12 46.38 43.02 46.61 47.03 40.71 48.54 47.46 39.53 48.91 47.63 41.03 47.34 46.53 40.41 46.07 47.09 2 0 16.13-999 ?-999 ?-999 ? O1 EDO B 289 mASP~B 25 41.74 49.13 48.05 42.64 48.76 47.79 41.27 51.49 48.21 42.12 51.99 47.52 41.56 50.22 49.00 42.82 50.38 49.86 2 0 13.24-999 ?-999 ?-999 ? O1 EDO B 289 mMETB 26 40.07 52.02 48.36 39.49 51.52 49.00 40.39 54.49 47.97 40.48 55.41 47.13 39.63 53.21 47.64 38.15 53.44 47.93 2 0 12.29-999 ?-999 ?-999 ? O1 EDO B 289 mASP~B 27 40.91 54.57 49.20 40.71 53.79 49.79 43.04 55.73 48.95 43.52 56.78 48.51 41.69 55.73 49.61 41.87 55.78 51.13 2 0 9.08-999 ?-999 ?-999 ? O1 EDO B 289 mILE~B 28 43.67 54.57 48.88 43.19 53.82 49.33 44.71 54.68 46.67 45.51 55.37 46.03 44.93 54.42 48.18 45.57 53.03 48.44 3 0 7.92-999 ?-999 ?-999 ? O1 EDO B 289 mARG~B 29 43.64 54.14 46.09 43.10 53.54 46.67 43.22 55.94 44.43 43.76 56.46 43.44 43.35 54.44 44.69 42.07 53.77 44.23 2 0 9.13-999 ?-999 ?-999 ? O2 EDO B 289 mARG~B 30 42.53 56.64 45.32 42.16 56.10 46.07 43.71 58.81 45.19 44.02 59.63 44.32 42.36 58.10 45.15 41.49 58.67 46.27 2 0 7.30-999 ?-999 ?-999 ? O2 EDO B 289 mARG~B 31 44.50 58.51 46.22 44.13 57.86 46.88 46.71 58.81 45.17 47.50 59.67 44.74 45.81 59.13 46.35 46.46 58.72 47.66 2 0 -3.88-999 ?-999 ?-999 ? O2 EDO B 289s mALA~B 32 46.60 57.59 44.63 45.94 56.99 45.08 47.03 57.96 42.25 47.92 58.41 41.48 47.41 57.19 43.48 47.29 55.70 43.25 2 0 5.37-999 ?-999 ?-999 ? O2 EDO B 289 mMETB 33 45.72 58.19 42.07 45.10 57.82 42.77 45.56 60.43 40.98 45.75 61.05 39.95 45.27 58.93 40.90 43.80 58.71 40.61 2 0 6.72-999 ?-999 ?-999 ? O2 EDO B 289 mILE~B 34 45.55 61.00 42.18 45.25 60.39 42.92 47.40 62.53 42.00 47.75 63.46 41.30 45.93 62.38 42.40 45.64 62.82 43.85 3 0 4.51-999 ?-999 ?-999 ? O2 EDO B 289 mLEU~B 35 48.26 61.60 42.41 47.86 60.93 43.03 49.78 61.47 40.45 50.53 62.21 39.84 49.65 61.60 41.97 50.46 60.50 42.68 3 0 -4.15-999 ?-999 ?-999 ? O2 EDO B 289s mALA~B 36 49.01 60.56 39.87 48.45 60.05 40.52 48.70 61.60 37.66 49.31 61.85 36.66 49.00 60.32 38.42 47.97 59.29 38.06 2 0 7.72-999 ?-999 ?-999 ? O2 EDO B 289 mALA~B 37 47.73 62.38 38.13 47.28 62.03 38.95 48.57 64.54 37.40 48.82 65.18 36.37 47.37 63.63 37.47 46.24 64.31 38.23 2 0 8.80-999 ?-999 ?-999 ? O2 EDO B 289 mLYS~B 38 49.31 64.61 38.50 48.97 64.05 39.26 51.56 64.92 37.62 52.22 65.67 36.92 50.50 65.45 38.55 51.07 65.51 39.97 2 0 8.50-999 ?-999 ?-999 ? O2 EDO B 289 mLEU~B 39 51.73 63.60 37.60 51.14 63.07 38.20 52.38 63.19 35.22 53.27 63.40 34.38 52.75 63.04 36.70 53.02 61.58 37.04 3 0 10.25-999 ?-999 ?-999 ? O2 EDO B 289 mLEU~B 40 51.09 63.07 34.91 50.49 62.86 35.68 50.94 64.66 33.07 51.38 64.87 31.96 50.65 63.25 33.54 49.16 62.93 33.41 3 0 12.70-999 ?-999 ?-999 ? O2 EDO B 289 mALA~B 41 50.70 65.63 33.94 50.34 65.32 34.82 52.43 67.27 33.41 52.82 68.15 32.62 50.94 67.01 33.64 50.46 67.85 34.77 2 0 13.59-999 ?-999 ?-999 ? O2 EDO A 289 mLYS~B 42 53.27 66.56 34.15 52.84 65.93 34.79 55.17 66.10 32.70 55.99 66.66 32.01 54.71 66.71 34.01 55.38 66.02 35.20 2 0 14.32-999 ?-999 ?-999 ? O2 EDO B 289 mGLU~B 43 54.63 64.93 32.35 53.87 64.62 32.93 54.42 64.42 29.86 54.97 64.12 28.81 55.14 64.18 31.19 55.11 62.69 31.48 2 0 16.36-999 ?-999 ?-999 ? O2 EDO B 289 mTYR~B 44 53.19 64.92 29.91 52.88 65.21 30.81 52.56 66.41 28.11 51.87 67.35 28.47 52.37 65.03 28.69 50.88 64.70 28.94 3 0 17.50-999 ?-999 ?-999 ? O2 EDO A 289 mASN.B 45 53.54 66.51 27.23 54.04 65.66 27.07 54.26 67.49 25.12 54.40 66.32 24.74 53.84 67.77 26.56 54.90 68.57 27.35 2 0 18.09-999 ?-999 ?-999 ? O2 EDO A 289 mGLU.B 46 54.47 68.56 24.35 54.48 69.42 24.87 55.82 67.59 22.50 55.74 66.89 21.49 54.66 68.50 22.89 54.88 69.91 22.29 2 0 17.69-999 ?-999 ?-999 ? O2 EDO A 290 mASN.B 47 56.87 67.61 23.31 56.76 68.24 24.08 57.98 65.35 23.56 58.93 64.58 23.37 58.07 66.81 23.09 59.27 67.47 23.80 2 0 19.53-999 ?-999 ?-999 ? O8 UNL B 288 mALA.B 48 56.86 64.96 24.16 56.12 65.63 24.14 56.65 62.50 23.78 56.02 62.63 22.72 56.74 63.65 24.79 55.53 63.62 25.72 2 0 16.27-999 ?-999 ?-999 ? O8 UNL B 288 mILE~B 49 57.31 61.39 24.13 57.92 61.51 24.91 56.26 59.23 24.31 56.72 58.81 25.37 57.13 60.11 23.43 58.47 59.39 23.20 3 0 12.87-999 ?-999 ?-999 ? O8 UNL B 288 mPRO~B 50 55.02 58.96 23.90 54.81 59.20 22.95 54.46 57.01 25.42 54.13 56.75 26.57 54.06 58.36 24.83 52.77 58.21 24.01 3 0 10.67-999 ?-999 ?-999 ? O8 UNL B 288 mALA~B 51 55.14 56.15 24.65 55.33 56.46 23.71 56.48 55.05 26.39 56.38 54.36 27.41 55.55 54.85 25.21 56.25 53.97 24.16 2 0 7.79-999 ?-999 ?-999 ? O8 UNL B 288 mILE~B 52 57.40 55.98 26.24 57.36 56.47 25.36 57.76 57.07 28.39 57.97 56.76 29.55 58.38 56.26 27.25 59.59 57.01 26.66 3 0 10.78-999 ?-999 ?-999 ? O1 UNL B 288 mALA~B 53 56.98 58.10 28.04 56.82 58.22 27.06 55.52 58.17 29.97 55.65 58.23 31.19 56.43 58.98 29.05 55.64 60.10 28.41 2 0 12.70-999 ?-999 ?-999 ? O1 UNL B 288 mGLY~B 54 54.56 57.48 29.34 54.53 57.64 28.36 54.33 55.59 30.92 53.95 55.44 32.09 53.64 56.58 30.02-999.99-999.99-999.99 1 0 10.26-999 ?-999 ?-999 ? O1 UNL B 288 mSER~B 55 55.35 54.92 30.39 55.56 55.15 29.44 56.71 54.47 32.41 56.67 53.84 33.47 56.08 53.92 31.15 57.17 53.24 30.34 2 0 9.43-999 ?-999 ?-999 ? O1 UNL B 288 mLEU~B 56 57.31 55.64 32.30 57.30 56.03 31.38 56.86 56.62 34.52 57.10 56.43 35.69 57.91 56.26 33.48 58.76 57.49 33.10 3 0 13.19-999 ?-999 ?-999 ? O1 UNL B 288 mILE~B 57 55.71 57.11 34.10 55.69 57.31 33.12 54.14 56.02 35.67 54.03 55.95 36.89 54.58 57.32 35.00 53.37 57.96 34.26 3 0 13.04-999 ?-999 ?-999 ? C2 EDO B 289 mPHE~B 58 53.95 54.97 34.88 54.14 55.14 33.92 54.47 53.15 36.47 54.06 52.68 37.53 53.49 53.69 35.41 53.31 52.66 34.28 3 0 11.88-999 ?-999 ?-999 ? O1 UNL B 288 mLEU~B 59 55.76 53.24 36.20 55.97 53.67 35.32 56.81 53.56 38.42 57.06 53.03 39.49 56.77 52.73 37.13 58.15 52.71 36.45 3 0 13.66-999 ?-999 ?-999 ? O1 UNL B 288 mGLU~B 60 56.59 54.87 38.33 56.52 55.23 37.40 55.23 55.27 40.35 55.29 55.24 41.58 56.47 55.66 39.54 56.47 57.17 39.29 2 0 11.12-999 ?-999 ?-999 ? C2 EDO B 289 mLEU~B 61 54.11 54.98 39.69 54.15 55.13 38.70 53.18 53.16 41.06 52.66 52.91 42.17 52.94 54.49 40.41 51.71 54.41 39.50 3 0 9.62-999 ?-999 ?-999 ? C2 EDO B 289 mTYR~B 62 53.97 52.30 40.41 54.31 52.61 39.52 54.97 51.25 42.34 54.63 50.64 43.35 54.29 51.00 41.00 55.24 50.17 40.14 3 0 12.47-999 ?-999 ?-999 ? C2 EDO B 289 mLYS~B 63 55.94 52.15 42.34 56.14 52.52 41.44 55.67 53.13 44.60 55.68 52.74 45.77 56.63 52.54 43.57 57.71 53.56 43.25 2 0 11.44-999 ?-999 ?-999 ? C2 EDO B 289 mPHE~B 64 54.80 54.02 44.17 54.86 54.23 43.20 52.97 53.54 45.74 52.73 53.56 46.95 53.83 54.62 45.10 52.93 55.65 44.43 3 0 7.88-999 ?-999 ?-999 ? C2 EDO B 289 mLEU~B 65 52.51 52.59 44.91 52.83 52.69 43.97 52.36 50.42 46.12 51.74 49.50 46.69 51.63 51.51 45.35 50.90 50.90 44.14 3 0 10.00-999 ?-999 ?-999 ? C2 EDO B 289 mGLY~B 66 53.69 50.45 46.11 54.09 51.22 45.61 54.36 48.07 46.13 54.51 47.08 46.79 54.46 49.43 46.79-999.99-999.99-999.99 1 0 12.73-999 ?-999 ?-999 ? C2 EDO B 289 mASN.B 67 54.13 48.03 44.83 54.13 48.93 44.38 54.69 46.85 42.83 54.35 47.64 41.92 53.90 46.76 44.13 52.40 46.59 43.88 2 0 15.26-999 ?-999 ?-999 ? C2 EDO B 289 mASP.B 68 55.75 46.07 42.78 55.86 45.48 43.58 56.11 45.45 40.38 56.67 45.58 39.28 56.68 46.09 41.64 57.96 45.36 42.04 2 0 16.99-999 ?-999 ?-999 ? O1 UNL B 288 mASP.B 69 55.00 44.72 40.51 54.68 44.60 41.45 52.87 43.89 39.67 52.51 42.78 40.01 54.33 44.17 39.35 55.03 42.88 38.88 2 0 14.61-999 ?-999 ?-999 ? O1 UNL B 288 mPRO.B 70 52.02 44.92 39.59 52.45 45.79 39.35 49.91 43.70 38.94 48.87 43.14 39.31 50.58 44.74 39.83 50.01 46.14 39.58 3 0 14.49-999 ?-999 ?-999 ? O6 UNL B 288 mPHE~B 71 50.51 43.41 37.80 51.39 43.86 37.68 50.32 41.06 36.94 50.08 40.30 36.04 49.91 42.51 36.82 50.27 43.00 35.41 3 0 11.99-999 ?-999 ?-999 ? O6 UNL B 288 mILE~B 72 50.99 40.69 38.00 51.07 41.38 38.71 50.45 38.31 37.90 50.60 37.42 37.08 51.54 39.36 38.10 52.34 39.22 39.42 3 0 14.74-999 ?-999 ?-999 ? O6 UNL B 288 mGLU~B 73 49.32 38.48 38.56 49.28 39.32 39.10 47.56 37.48 37.13 47.30 36.42 36.60 48.23 37.50 38.49 47.17 37.73 39.59 2 0 15.70-999 ?-999 ?-999 ? O6 UNL B 288 mTYR~B 74 47.26 38.65 36.61 47.45 39.42 37.21 47.56 38.11 34.20 47.05 37.46 33.29 46.70 38.80 35.27 46.55 40.29 34.96 3 0 12.46-999 ?-999 ?-999 ? O6 UNL B 288 mLYS~B 75 48.87 38.24 34.35 49.16 38.77 35.14 49.82 36.15 33.59 49.84 35.49 32.58 49.81 37.68 33.44 51.21 38.23 33.69 2 0 11.89-999 ?-999 ?-999 ? O6 UNL B 288 mLEU~B 76 49.83 35.63 34.82 49.89 36.30 35.56 48.49 33.61 34.41 48.53 32.58 33.77 49.76 34.17 35.02 49.86 33.78 36.49 3 0 15.58-999 ?-999 ?-999 ? O6 UNL B 288 mLYS~B 77 47.37 34.30 34.61 47.49 35.12 35.17 46.16 33.83 32.50 45.80 32.84 31.87 46.10 33.85 34.02 44.97 34.78 34.45 2 0 15.36-999 ?-999 ?-999 ? O6 UNL B 288 mSER~B 78 46.67 34.91 31.90 46.94 35.65 32.51 47.74 33.90 29.88 47.44 33.36 28.83 46.82 34.95 30.44 47.32 36.33 29.93 2 0 12.61-999 ?-999 ?-999 ? O6 UNL B 288 mGLU~B 79 48.87 33.67 30.53 49.02 34.23 31.35 49.19 31.29 30.06 49.31 30.60 29.07 49.81 32.68 30.08 51.04 32.64 30.99 2 0 14.61-999 ?-999 ?-999 ? O6 UNL B 288 mGLU~B 80 48.54 30.90 31.15 48.49 31.59 31.87 46.92 29.32 30.18 46.94 28.29 29.50 47.95 29.56 31.26 47.35 29.34 32.65 2 0 17.87-999 ?-999 ?-999 ? O6 UNL B 288 mMETB 81 46.06 30.30 29.96 46.16 31.09 30.56 45.66 30.17 27.51 45.27 29.36 26.68 45.06 30.20 28.91 44.06 31.36 29.02 2 0 16.96-999 ?-999 ?-999 ? O6 UNL B 288 mALA~B 82 46.58 31.09 27.24 46.83 31.68 28.01 47.93 29.94 25.55 47.93 29.56 24.40 47.15 31.20 25.92 48.04 32.40 25.84 2 0 15.36-999 ?-999 ?-999 ? O6 UNL B 288 mARG~B 83 48.64 29.34 26.52 48.61 29.81 27.40 48.42 27.01 25.79 48.69 26.30 24.82 49.37 28.10 26.28 50.05 27.62 27.57 2 0 18.45-999 ?-999 ?-999 ? O6 UNL B 288 mLYS~B 84 47.29 26.86 26.50 47.21 27.48 27.27 45.62 26.11 24.78 45.48 25.21 23.95 46.29 25.83 26.13 45.24 25.75 27.22 2 0 20.78-999 ?-999 ?-999 ? O6 UNL B 288 mVAL~B 85 45.28 27.36 24.52 45.41 28.00 25.28 45.73 27.42 22.12 45.36 26.84 21.09 44.74 27.74 23.23 44.38 29.25 23.17 3 0 19.09-999 ?-999 ?-999 ? O5 UNL B 288 mALA~B 86 46.99 27.81 22.30 47.16 28.26 23.18 48.16 26.06 20.99 48.34 25.63 19.85 48.01 27.56 21.27 49.31 28.17 21.67 2 0 17.91-999 ?-999 ?-999 ? C2 EDO B 290 mASP~B 87 48.06 25.25 22.04 47.93 25.73 22.91 47.03 23.23 21.04 47.27 22.36 20.19 48.15 23.81 21.90 48.18 23.16 23.26 2 0 19.43-999 ?-999 ?-999 ? C2 EDO B 290 mILE~B 88 45.81 23.73 21.23 45.75 24.38 21.98 44.90 23.79 18.97 44.57 23.08 18.04 44.68 23.33 20.40 43.35 23.89 20.93 3 0 18.05-999 ?-999 ?-999 ? C2 EDO B 290 mILE~B 89 45.42 25.00 18.78 45.61 25.50 19.62 46.66 24.59 16.71 46.43 24.19 15.57 45.66 25.50 17.43 46.16 26.98 17.46 3 0 14.49-999 ?-999 ?-999 ? C2 EDO B 290 mLYS~B 90 47.76 24.25 17.38 47.84 24.66 18.29 48.15 22.02 16.43 48.47 21.46 15.37 48.76 23.36 16.81 49.94 23.21 17.76 2 0 15.10-999 ?-999 ?-999 ? C2 EDO B 290 mARG~B 91 47.22 21.53 17.25 47.06 22.09 18.07 45.50 20.42 15.81 45.52 19.63 14.89 46.51 20.28 16.95 45.82 19.79 18.22 2 0 16.55-999 ?-999 ?-999 ? C2 EDO B 290 mLYS~B 92 44.64 21.44 15.85 44.85 22.12 16.54 43.84 22.14 13.58 43.17 21.87 12.61 43.49 21.51 14.92 42.33 22.30 15.51 2 0 14.11-999 ?-999 ?-999 ? O1 EDO B 290 mLEU~B 93 44.84 23.00 13.55 45.37 23.07 14.39 46.54 23.51 11.87 47.43 23.23 12.67 45.14 23.78 12.35 45.01 25.28 12.62 3 0 10.75-999 ?-999 ?-999 ? C2 EDO B 290 mLYS.B 94 46.72 23.53 10.56 45.88 23.58 10.01 48.24 24.79 9.22 47.85 24.89 8.04 48.05 23.51 10.01 48.23 22.25 9.15 2 0 9.50-999 ?-999 ?-999 ? C2 EDO B 290 mLEU.B 95 48.83 25.78 9.86 49.26 25.51 10.73 49.98 27.28 8.37 51.08 26.76 8.60 48.83 27.14 9.33 48.92 28.14 10.47 3 0 7.18-999 ?-999 ?-999 ? C2 EDO B 290 mASP~B 96 49.70 27.93 7.25 48.73 28.11 7.08 51.38 29.62 6.86 50.99 30.17 7.90 50.74 28.32 6.35 50.22 28.43 4.91 2 0 -5.74-999 ?-999 ?-999 ? O2 EDO B 290s mPHE~B 97 52.37 30.13 6.15 52.57 29.66 5.30 52.18 32.55 6.73 52.23 33.34 7.71 53.08 31.33 6.66 54.29 31.63 5.80 3 0 7.18-999 ?-999 ?-999 ? O2 EDO B 290 mGLU~B 98 51.35 32.73 5.71 51.40 32.04 4.99 49.56 33.88 6.94 49.44 34.90 7.61 50.44 33.88 5.68 49.56 33.87 4.43 2 0 -5.17-999 ?-999 ?-999 ? O2 EDO B 290s mLEU~B 99 49.01 32.72 7.30 49.27 31.95 6.72 48.85 32.61 9.78 48.32 33.08 10.79 48.10 32.63 8.45 47.19 31.40 8.34 3 0 -5.35-999 ?-999 ?-999 ? O2 EDO B 290s mALA~B 100 50.10 32.14 9.80 50.40 31.72 8.94 51.15 33.73 11.39 51.09 34.10 12.56 50.90 32.27 11.03 52.18 31.46 10.94 2 0 8.70-999 ?-999 ?-999 ? O2 EDO B 290 mVAL~B 101 51.39 34.57 10.39 51.40 34.14 9.48 50.34 36.58 11.13 50.36 37.30 12.14 51.61 35.98 10.60 52.06 36.69 9.31 3 0 9.91-999 ?-999 ?-999 ? O2 EDO B 290 mLYS~B 102 49.23 36.24 10.50 49.36 35.65 9.71 47.66 36.29 12.42 47.18 37.09 13.23 47.92 36.72 10.96 46.83 36.25 10.02 2 0 9.38-999 ?-999 ?-999 ? O2 EDO B 290 mLEU~B 103 48.01 35.05 12.74 48.40 34.53 11.98 48.67 35.27 15.15 48.18 35.60 16.21 47.84 34.50 14.10 48.23 33.04 14.15 3 0 11.15-999 ?-999 ?-999 ? O2 EDO B 290 mALA~B 104 49.92 35.58 14.82 50.23 35.17 13.96 50.09 37.76 15.96 50.11 38.22 17.10 50.74 36.43 15.67 52.11 36.63 15.07 2 0 12.90-999 ?-999 ?-999 ? O5 UNL B 288 mILE~B 105 49.49 38.38 14.95 49.53 37.89 14.08 47.60 39.51 16.01 47.38 40.26 16.93 48.85 39.68 15.13 48.43 40.30 13.79 3 0 10.72-999 ?-999 ?-999 ? O5 UNL B 288 mILE~B 106 46.80 38.48 15.73 47.09 37.94 14.95 45.93 37.96 18.02 45.14 38.29 18.89 45.60 38.20 16.53 44.88 36.96 16.00 3 0 11.12-999 ?-999 ?-999 ? O5 UNL B 288 mGLY~B 107 47.09 37.38 18.29 47.62 37.14 17.47 47.64 38.42 20.48 47.44 38.40 21.68 47.54 37.13 19.66-999.99-999.99-999.99 1 0 10.11-999 ?-999 ?-999 ? O5 UNL B 288 mASN~B 108 47.96 39.51 19.80 48.19 39.33 18.85 46.56 41.32 20.78 46.40 42.20 21.62 47.98 40.84 20.38 48.60 41.79 19.33 2 0 6.41-999 ?-999 ?-999 ? O5 UNL B 288 mVAL.B 109 45.53 40.72 20.20 45.77 39.92 19.66 43.40 40.52 21.47 42.53 41.10 22.08 44.16 41.21 20.35 43.38 41.01 19.03 3 0 7.41-999 ?-999 ?-999 ? O5 UNL B 288 mILE.B 110 43.68 39.25 21.69 44.48 38.91 21.19 43.19 38.72 24.06 44.35 38.78 24.43 42.86 38.45 22.59 43.06 36.97 22.29 3 0 9.79-999 ?-999 ?-999 ? O5 UNL B 288 mASP~B 111 42.14 38.88 24.87 41.27 38.95 24.39 42.13 37.52 26.88 41.03 37.03 27.14 42.28 38.92 26.33 41.28 39.88 27.00 2 0 9.74-999 ?-999 ?-999 ? O6 UNL B 288 mPHE~B 112 43.28 36.90 27.05 44.08 37.46 26.85 42.95 35.32 28.97 42.58 34.22 29.39 43.35 35.52 27.50 44.78 35.04 27.28 3 0 12.22-999 ?-999 ?-999 ? O6 UNL B 288 mSER~B 113 42.92 36.41 29.73 43.10 37.26 29.25 41.17 36.08 31.52 40.87 35.68 32.65 42.65 36.31 31.16 43.19 37.58 31.86 2 0 12.92-999 ?-999 ?-999 ? O6 UNL B 288 mVAL~B 114 40.24 36.28 30.57 40.61 36.42 29.65 37.99 35.33 30.02 36.75 35.43 30.00 38.83 36.30 30.86 38.22 37.75 30.72 3 0 14.90-999 ?-999 ?-999 ? O6 UNL B 288 mGLY~B 115 38.63 34.39 29.36 39.63 34.42 29.50 37.10 32.39 29.27 37.29 32.15 30.45 37.93 33.42 28.52-999.99-999.99-999.99 1 0 16.97-999 ?-999 ?-999 ? O6 UNL B 288 mPHE.B 116 36.21 31.74 28.54 36.17 32.06 27.59 36.20 29.39 29.20 36.19 28.72 30.23 35.38 30.68 29.07 34.17 30.45 28.16 3 0 20.75-999 ?-999 ?-999 ? O6 UNL B 288 mSER~B 117 36.86 29.03 28.10 36.77 29.69 27.36 38.65 27.98 26.85 38.44 28.79 25.95 37.64 27.81 27.99 36.75 26.61 27.74 2 0 21.68-999 ?-999 ?-999 ? O6 UNL B 288 mPRO~B 118 39.73 27.19 26.86 39.84 26.58 27.64 39.98 26.94 24.38 40.35 27.48 23.34 40.65 27.29 25.70 41.78 26.31 26.03 3 0 -20.70-999 ?-999 ?-999 ? O6 UNL B 288s mGLU~B 119 39.01 26.04 24.40 38.81 25.68 25.31 37.47 26.79 22.65 37.44 27.06 21.44 38.30 25.62 23.20 37.41 24.41 23.54 2 0 20.79-999 ?-999 ?-999 ? O1 EDO B 290 mASP~B 120 36.79 27.49 23.54 36.92 27.19 24.49 36.78 29.71 22.52 36.39 30.31 21.52 35.95 28.59 23.15 35.19 29.11 24.36 2 0 21.06-999 ?-999 ?-999 ? O1 EDO B 290 mLEU~B 121 37.93 30.01 23.13 38.10 29.49 23.96 39.45 30.59 21.24 39.66 31.41 20.36 38.83 31.02 22.58 39.96 31.33 23.56 3 0 18.20-999 ?-999 ?-999 ? O5 UNL B 288 mGLU~B 122 39.83 29.32 21.14 39.72 28.76 21.96 39.38 28.98 18.73 39.78 29.26 17.61 40.38 28.85 19.89 40.87 27.41 20.00 2 0 16.75-999 ?-999 ?-999 ? O1 EDO B 290 mGLU~B 123 38.09 28.74 19.00 37.91 28.43 19.93 36.90 30.39 17.55 36.65 30.67 16.40 37.06 28.93 17.98 35.73 28.35 18.47 2 0 15.84-999 ?-999 ?-999 ? O1 EDO B 290 mGLU~B 124 37.04 31.32 18.49 37.14 30.96 19.42 38.27 33.08 17.31 38.19 33.82 16.34 37.03 32.74 18.16 36.98 33.60 19.42 2 0 16.29-999 ?-999 ?-999 ? O1 EDO B 290 mVAL~B 125 39.41 32.50 17.65 39.36 31.94 18.47 40.38 32.20 15.41 40.78 32.86 14.50 40.60 32.68 16.85 41.82 31.97 17.51 3 0 14.03-999 ?-999 ?-999 ? O1 EDO B 290 mGLU~B 126 39.74 31.04 15.22 39.47 30.57 16.06 38.65 31.52 13.06 38.85 31.66 11.87 39.49 30.54 13.88 38.81 29.19 13.91 2 0 11.15-999 ?-999 ?-999 ? O1 EDO B 290 mLYS~B 127 37.71 32.19 13.71 37.62 31.96 14.67 37.74 34.38 12.67 37.63 34.92 11.58 36.89 33.17 13.03 35.71 33.62 13.91 2 0 12.03-999 ?-999 ?-999 ? O1 EDO B 290 mMETB 128 38.60 34.81 13.58 38.63 34.26 14.42 40.45 35.75 12.25 40.90 36.69 11.62 39.41 35.99 13.33 40.08 36.47 14.60 2 0 12.25-999 ?-999 ?-999 ? C1 EDO B 290 mLEU~B 129 40.82 34.50 12.02 40.35 33.83 12.59 41.26 34.40 9.60 42.00 34.36 8.62 41.82 34.17 11.01 42.31 32.72 11.14 3 0 8.74-999 ?-999 ?-999 ? C1 EDO B 290 mLYS.B 130 39.96 34.60 9.51 39.46 34.54 10.37 39.39 36.39 7.93 39.14 36.79 6.81 39.34 34.89 8.23 37.92 34.33 8.19 2 0 8.03-999 ?-999 ?-999 ? C1 EDO B 290 mASP.B 131 39.76 37.21 8.90 39.94 36.75 9.77 41.05 38.98 7.75 42.10 38.30 7.76 39.89 38.65 8.68 40.13 39.44 9.99 2 0 10.47-999 ?-999 ?-999 ? C1 EDO B 290 mLYS.B 132 40.87 40.05 6.99 40.01 40.54 7.13 42.71 41.57 6.62 42.19 42.53 7.22 41.85 40.47 6.02 41.17 40.95 4.73 2 0 10.37-999 ?-999 ?-999 ? C1 EDO B 290 mLEU.B 133 44.02 41.42 6.47 44.29 40.53 6.10 44.71 43.68 5.93 44.51 43.55 4.73 44.96 42.47 6.81 46.42 41.98 6.64 3 0 11.90-999 ?-999 ?-999 ? O2 EDO B 290 mTYR.B 134 44.75 44.85 6.54 44.93 44.83 7.52 45.79 46.49 5.04 45.72 46.98 3.92 44.54 46.07 5.80 44.10 47.18 6.74 3 0 15.24-999 ?-999 ?-999 ? O2 EDO B 290 mILE^B 135 46.94 46.33 5.68 46.84 46.12 6.65 48.88 45.09 5.20 48.88 44.51 6.31 48.22 46.45 5.01 49.10 47.58 5.60 3 0 15.46-999 ?-999 ?-999 ? O2 EDO B 290 mASP^B 136 49.41 44.56 4.12 49.46 45.16 3.32 51.17 43.00 3.38 51.16 42.72 2.17 49.88 43.18 4.15 48.81 42.24 3.64 2 0 12.49-999 ?-999 ?-999 ? O2 EDO B 290 mASP~B 137 52.28 43.08 4.11 52.12 43.32 5.07 54.15 41.47 3.93 55.36 41.27 3.91 53.60 42.85 3.55 54.55 43.98 4.00 2 0 13.62-999 ?-999 ?-999 ? O2 EDO B 290 mSER~B 138 53.26 40.53 4.26 52.30 40.77 4.11 54.47 38.40 3.75 55.31 37.60 4.15 53.72 39.25 4.78 52.58 38.45 5.41 2 0 10.85-999 ?-999 ?-999 ? O2 EDO B 290 mLYS~B 139 54.19 38.57 2.45 53.47 39.24 2.28 56.37 38.25 1.32 57.26 37.45 1.16 54.90 37.82 1.39 54.22 37.99 0.03 2 0 10.85-999 ?-999 ?-999 ? O2 EDO B 290 mGLU~B 140 56.59 39.54 1.46 55.76 40.10 1.48 58.63 39.67 2.87 59.81 39.39 2.87 57.91 40.11 1.58 57.79 41.65 1.51 2 0 14.55-999 ?-999 ?-999 ? O2 EDO B 290 mLEU~B 141 57.90 39.57 3.96 56.95 39.89 3.87 58.94 37.58 4.97 60.01 37.19 5.42 58.46 39.03 5.20 57.41 39.13 6.32 3 0 14.32-999 ?-999 ?-999 ? O2 EDO B 290 mPHE~B 142 58.10 36.81 4.29 57.27 37.29 4.03 59.65 35.31 3.20 60.54 34.53 3.55 58.35 35.40 3.93 57.18 34.91 3.05 3 0 12.48-999 ?-999 ?-999 ? O2 EDO B 290 mGLU~B 143 59.81 36.13 2.18 59.04 36.76 2.02 62.24 36.52 2.20 63.28 35.90 2.13 61.02 36.09 1.38 60.85 36.99 0.15 2 0 15.38-999 ?-999 ?-999 ? O2 EDO B 290 mGLU~B 144 62.10 37.56 2.99 61.18 37.97 2.98 63.68 37.06 4.85 64.89 36.94 5.09 63.21 38.05 3.79 62.82 39.36 4.47 2 0 17.97-999 ?-999 ?-999 ? O2 EDO B 290 mVAL~B 145 62.75 36.37 5.51 61.81 36.56 5.24 63.83 34.21 5.91 64.73 33.64 6.53 63.14 35.42 6.52 61.99 34.92 7.52 3 0 17.33-999 ?-999 ?-999 ? O2 EDO B 290 mLYS~B 146 63.40 33.80 4.72 62.63 34.31 4.35 65.52 33.02 3.77 66.41 32.16 3.88 64.07 32.67 4.06 63.37 32.28 2.75 2 0 17.52-999 ?-999 ?-999 ? O2 EDO B 290 mARG~B 147 65.78 34.26 3.37 64.99 34.87 3.31 67.97 35.13 4.28 69.19 35.28 4.16 67.15 34.63 3.06 67.23 35.55 1.81 2 0 20.83-999 ?-999 ?-999 ? O2 EDO B 290 mALA~B 148 67.34 35.29 5.44 66.37 35.05 5.42 68.96 34.79 7.28 68.68 33.59 7.35 68.03 35.79 6.63 67.00 36.24 7.69 2 0 22.12-999 ?-999 ?-999 ? O2 EDO B 290 mGLU.B 149 70.06 35.31 7.81 70.23 36.26 7.55 70.70 34.87 10.15 71.04 34.09 11.02 70.94 34.55 8.69 72.41 34.80 8.31 2 0 25.09-999 ?-999 ?-999 ? O2 EDO B 290 mASN^B 150 70.12 36.04 10.41 69.87 36.57 9.60 68.50 37.23 11.76 68.23 38.08 10.92 69.86 36.50 11.75 71.01 37.44 12.16 2 0 23.19-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 151 67.63 36.84 12.68 67.96 36.11 13.28 66.10 37.89 14.22 66.30 37.11 15.16 66.31 37.43 12.80 65.21 36.42 12.44 3 0 19.69-999 ?-999 ?-999 ? O8 UNL B 288 mLEU^B 152 65.69 39.15 14.40 65.72 39.71 13.57 63.74 39.75 15.81 63.12 40.44 14.99 65.26 39.63 15.72 65.93 40.96 16.02 3 0 16.44-999 ?-999 ?-999 ? O8 UNL B 288 mTYR^B 153 63.17 39.09 16.82 63.82 38.61 17.41 61.49 39.80 18.39 61.90 39.37 19.47 61.76 39.06 17.08 61.29 37.61 17.16 3 0 13.75-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 154 60.84 40.95 18.28 60.54 41.16 17.35 59.16 41.66 19.92 58.24 42.16 19.26 60.59 41.82 19.45 60.86 43.29 19.15 3 0 10.35-999 ?-999 ?-999 ? O8 UNL B 288 mTHR.B 155 59.00 41.02 21.09 59.85 40.80 21.56 56.97 41.86 22.23 57.51 42.96 22.38 57.70 40.68 21.61 57.81 39.59 22.68 2 0 8.79-999 ?-999 ?-999 ? O8 UNL B 288 mASP.B 156 55.71 41.61 22.58 55.38 40.69 22.39 54.29 42.04 24.47 54.98 42.00 25.49 54.89 42.63 23.19 53.90 43.18 22.19 2 0 -5.74-999 ?-999 ?-999 ? O8 UNL B 288s mASN.B 157 53.07 41.57 24.44 52.67 41.55 23.52 52.57 39.66 25.96 52.92 38.87 25.08 52.39 41.12 25.66 50.92 41.45 25.55 2 0 -6.37-999 ?-999 ?-999 ? O2 UNL B 288s mVAL.B 158 52.39 39.30 27.24 52.33 40.06 27.89 50.93 37.37 27.11 49.97 38.09 27.09 52.29 37.89 27.59 52.49 37.60 29.13 3 0 9.68-999 ?-999 ?-999 ? O6 UNL B 288 mGLY~B 159 50.87 36.10 26.76 51.71 35.59 26.95 50.03 35.40 24.67 50.27 34.31 24.13 49.69 35.51 26.14-999.99-999.99-999.99 1 0 11.09-999 ?-999 ?-999 ? O6 UNL B 288 mGLU~B 160 50.08 36.56 24.06 49.75 37.31 24.65 51.78 36.02 22.39 51.92 35.45 21.30 50.53 36.79 22.71 50.75 38.32 22.53 2 0 9.95-999 ?-999 ?-999 ? O5 UNL B 288 mHIS~B 161 52.69 35.96 23.33 52.44 36.40 24.19 53.86 33.78 22.72 54.75 33.23 22.08 53.97 35.28 23.08 54.97 35.57 24.18 3 0 12.31-999 ?-999 ?-999 ? O2 UNL B 288 mTYR~B 162 52.78 33.14 23.11 52.18 33.68 23.71 52.05 31.65 21.22 52.25 30.61 20.57 52.51 31.76 22.68 51.51 31.06 23.61 3 0 15.31-999 ?-999 ?-999 ? O5 UNL B 288 mPHE~B 163 51.43 32.71 20.70 51.21 33.42 21.37 52.40 33.20 18.47 52.68 32.64 17.39 51.13 32.80 19.28 49.95 33.76 19.06 3 0 14.55-999 ?-999 ?-999 ? O5 UNL B 288 mASP~B 164 53.20 34.12 19.02 52.80 34.57 19.82 55.36 33.16 18.35 55.99 32.98 17.35 54.53 34.42 18.49 55.28 35.43 19.36 2 0 14.17-999 ?-999 ?-999 ? O7 UNL B 288 mALA~B 165 55.33 32.29 19.34 54.79 32.59 20.13 55.65 30.16 18.05 56.50 29.51 17.44 56.05 31.01 19.25 55.90 30.22 20.56 2 0 17.51-999 ?-999 ?-999 ? O7 UNL B 288 mILE~B 166 54.37 30.18 17.69 53.78 30.71 18.30 54.49 30.11 15.26 54.97 29.39 14.39 53.90 29.48 16.50 52.37 29.38 16.45 3 0 14.97-999 ?-999 ?-999 ? O2 EDO B 290 mLEU~B 167 54.48 31.44 15.16 54.04 31.93 15.91 56.59 31.78 13.97 57.14 31.44 12.90 55.09 32.09 14.01 54.83 33.59 14.00 3 0 13.51-999 ?-999 ?-999 ? O2 EDO B 290 mILE~B 168 57.25 31.81 15.13 56.68 32.03 15.92 58.99 30.09 14.76 59.98 29.85 14.06 58.69 31.56 15.19 59.30 31.95 16.56 3 0 16.78-999 ?-999 ?-999 ? O2 EDO B 290 mGLU~B 169 58.15 29.13 15.15 57.42 29.45 15.75 58.21 27.66 13.18 58.94 26.93 12.54 58.30 27.74 14.70 57.22 26.81 15.31 2 0 16.51-999 ?-999 ?-999 ? O2 EDO B 290 mLYS~B 170 57.29 28.41 12.60 56.73 28.94 13.23 58.40 29.01 10.45 58.89 28.47 9.45 57.15 28.43 11.14 55.88 29.17 10.75 2 0 13.27-999 ?-999 ?-999 ? O2 EDO B 290 mILE~B 171 58.93 30.10 11.01 58.41 30.45 11.78 61.33 29.72 10.51 62.09 29.61 9.52 60.18 30.72 10.52 60.53 31.99 11.36 3 0 15.25-999 ?-999 ?-999 ? O2 EDO B 290 mARG~B 172 61.43 28.94 11.58 60.75 29.12 12.29 62.26 26.75 10.73 63.20 26.10 10.35 62.47 27.92 11.68 62.59 27.43 13.12 2 0 18.11-999 ?-999 ?-999 ? O2 EDO B 290 mGLU~B 173 61.02 26.48 10.33 60.31 27.00 10.81 61.26 25.97 7.91 61.53 25.15 7.07 60.75 25.51 9.28 59.25 25.20 9.17 2 0 16.27-999 ?-999 ?-999 ? O2 EDO B 290 mILE~B 174 61.38 27.28 7.66 61.24 27.88 8.45 62.96 28.54 6.17 63.33 28.95 5.07 61.67 27.76 6.30 60.50 28.60 5.74 3 0 15.67-999 ?-999 ?-999 ? O2 EDO B 290 mSER~B 175 63.63 28.79 7.28 63.23 28.36 8.08 65.93 28.91 8.10 65.65 28.19 9.06 64.85 29.61 7.31 64.56 30.93 8.02 2 0 18.68-999 ?-999 ?-999 ? O2 EDO B 290 mASN.B 176 67.18 29.16 7.73 67.27 29.67 6.87 68.78 29.77 9.54 69.77 29.54 10.22 68.31 28.73 8.54 69.47 28.31 7.64 2 0 22.39-999 ?-999 ?-999 ? O2 EDO B 290 mALA.B 177 68.07 30.90 9.66 67.22 30.91 9.12 68.57 31.62 11.97 67.75 30.83 12.43 68.51 32.01 10.51 67.60 33.20 10.37 2 0 22.99-999 ?-999 ?-999 ? O2 EDO B 290 mGLU^B 178 69.50 32.21 12.71 70.25 32.62 12.19 68.36 33.31 14.58 68.37 34.44 14.08 69.40 32.24 14.17 70.75 32.55 14.81 2 0 24.32-999 ?-999 ?-999 ? O8 UNL B 288 mVAL^B 179 67.48 32.93 15.49 67.61 31.99 15.83 66.77 34.29 17.35 67.11 33.50 18.25 66.43 33.80 15.96 65.08 33.09 15.96 3 0 20.71-999 ?-999 ?-999 ? O8 UNL B 288 mTYR^B 180 66.73 35.62 17.48 66.61 36.09 16.61 65.49 36.81 19.11 64.80 37.36 18.28 66.85 36.32 18.75 67.82 37.49 18.63 3 0 18.59-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 181 65.09 36.56 20.35 65.79 36.14 20.93 63.88 37.87 22.00 64.37 37.53 23.07 63.78 36.88 20.82 63.02 35.59 21.24 3 0 15.65-999 ?-999 ?-999 ? O8 UNL B 288 mALA^B 182 63.37 39.08 21.81 62.87 39.19 20.94 62.30 40.40 23.64 61.18 40.47 23.13 63.54 40.14 22.80 64.01 41.41 22.16 2 0 13.21-999 ?-999 ?-999 ? O8 UNL B 288 mGLY^B 183 62.53 40.46 24.94 63.45 40.18 25.20 62.14 41.96 26.82 63.31 42.36 26.69 61.56 40.90 25.91-999.99-999.99-999.99 1 0 11.43-999 ?-999 ?-999 ? O1 UNL B 288 mLYS.B 184 61.31 42.44 27.74 60.42 41.99 27.76 62.54 43.01 29.75 62.47 41.84 30.09 61.67 43.53 28.62 60.40 44.17 29.19 2 0 10.74-999 ?-999 ?-999 ? O1 UNL B 288 mGLU.B 185 63.35 43.89 30.33 63.31 44.79 29.90 63.44 43.20 32.71 63.84 42.28 33.42 64.21 43.57 31.47 65.12 44.76 31.78 2 0 14.01-999 ?-999 ?-999 ? O1 UNL B 288 mGLY.B 186 62.33 43.88 32.96 62.14 44.58 32.27 60.05 44.05 33.81 59.78 44.57 32.74 61.48 43.63 34.12-999.99-999.99-999.99 1 0 13.34-999 ?-999 ?-999 ? O1 UNL B 288 mPRO.B 187 59.11 43.80 34.75 59.44 43.47 35.63 57.32 45.50 34.08 57.81 46.43 34.67 57.70 44.03 34.42 56.95 43.56 35.70 3 0 11.19-999 ?-999 ?-999 ? O1 UNL B 288 mILE.B 188 56.46 45.64 33.08 56.27 44.79 32.58 54.48 46.49 32.08 54.42 45.80 31.09 55.82 46.88 32.72 56.74 47.77 31.84 3 0 8.26-999 ?-999 ?-999 ? O1 UNL B 288 mILE.B 189 53.42 46.97 32.70 53.63 47.64 33.40 52.07 45.04 32.06 52.65 44.26 32.83 52.07 46.55 32.38 51.42 47.52 31.34 3 0 7.17-999 ?-999 ?-999 ? O1 UNL B 288 mASN.B 190 51.47 44.63 30.93 51.13 45.36 30.35 52.40 42.69 29.66 52.30 41.60 29.11 51.35 43.17 30.65 49.96 42.82 30.11 2 0 -6.74-999 ?-999 ?-999 ? O6 UNL B 288s mASP.B 191 53.46 43.46 29.47 53.47 44.29 30.03 55.33 41.91 28.98 55.60 41.75 30.19 54.50 43.06 28.51 55.47 44.21 28.21 2 0 -5.96-999 ?-999 ?-999 ? O1 UNL B 288s mALA.B 192 55.80 41.12 28.02 55.59 41.40 27.08 57.98 40.35 28.67 58.65 41.06 27.92 56.55 39.95 28.33 56.55 39.00 27.16 2 0 9.25-999 ?-999 ?-999 ? O1 UNL B 288 mTHR~B 193 58.43 39.87 29.82 57.74 39.41 30.38 60.59 38.81 29.78 60.04 37.79 29.36 59.80 40.01 30.23 59.92 40.06 31.75 2 0 11.75-999 ?-999 ?-999 ? O1 UNL B 288 mVAL~B 194 61.90 38.93 29.88 62.19 39.84 30.18 62.44 36.56 30.34 62.50 35.44 29.80 62.81 37.83 29.58 64.26 38.21 29.93 3 0 14.96-999 ?-999 ?-999 ? O1 UNL B 288 mGLU~B 195 62.12 36.73 31.62 62.13 37.68 31.90 60.53 34.90 31.97 60.46 33.70 31.90 61.77 35.61 32.51 61.50 36.17 33.93 2 0 16.89-999 ?-999 ?-999 ? O1 UNL B 288 mASP~B 196 59.53 35.71 31.57 59.74 36.68 31.70 58.56 34.40 29.74 58.03 33.31 29.55 58.26 35.20 31.00 57.30 36.31 30.61 2 0 14.88-999 ?-999 ?-999 ? O1 UNL B 288 mLEU~B 197 59.40 34.93 28.85 59.75 35.84 29.10 60.50 32.90 27.89 60.24 31.86 27.26 59.76 34.21 27.62 60.59 35.12 26.71 3 0 15.49-999 ?-999 ?-999 ? O1 UNL B 288 mLYS~B 198 61.43 32.96 28.82 61.56 33.87 29.22 61.32 30.73 29.85 61.45 29.56 29.49 62.19 31.79 29.22 63.32 32.18 30.19 2 0 19.04-999 ?-999 ?-999 ? O1 UNL B 288 mARG~B 199 60.42 31.13 30.74 60.40 32.12 30.91 58.51 29.58 30.42 58.01 28.50 30.66 59.54 30.17 31.39 58.91 30.78 32.65 2 0 19.81-999 ?-999 ?-999 ? O1 UNL B 288 mALA~B 200 58.26 30.24 29.31 58.69 31.13 29.26 58.15 28.69 27.35 57.54 28.07 26.46 57.40 29.67 28.26 56.76 30.80 27.42 2 0 18.85-999 ?-999 ?-999 ? O1 UNL B 288 mGLY~B 201 59.45 28.54 27.54 59.84 29.13 28.25 60.72 28.14 25.45 61.17 27.39 24.59 60.22 27.59 26.77-999.99-999.99-999.99 1 0 21.55-999 ?-999 ?-999 ? O1 UNL B 288 mLEU~B 202 60.71 29.46 25.28 60.39 29.98 26.08 62.63 29.88 23.71 63.05 30.07 22.57 61.14 30.05 24.01 60.74 31.51 23.92 3 0 19.67-999 ?-999 ?-999 ? O1 UNL B 288 mGLU~B 203 63.43 29.53 24.71 62.99 29.48 25.60 65.08 28.01 23.57 66.16 27.81 23.01 64.86 29.24 24.44 65.64 29.12 25.75 2 0 22.24-999 ?-999 ?-999 ? O1 UNL B 288 mLYS~B 204 64.06 27.17 23.44 63.30 27.35 24.07 64.00 26.59 21.03 64.43 25.90 20.12 64.07 26.08 22.47 62.92 25.10 22.74 2 0 24.59-999 ?-999 ?-999 ? O8 UNL B 288 mLEU~B 205 63.47 27.80 20.82 63.20 28.27 21.66 64.40 29.39 19.09 64.67 29.58 17.92 63.32 28.37 19.48 61.95 29.01 19.36 3 0 22.43-999 ?-999 ?-999 ? O8 UNL B 288 mGLY.B 206 65.01 30.06 20.05 64.69 29.84 20.97 66.71 31.59 21.02 66.38 31.16 22.12 66.06 31.05 19.77-999.99-999.99-999.99 1 0 21.63-999 ?-999 ?-999 ? O8 UNL B 288 mLYS^B 207 67.63 32.54 20.89 67.84 32.80 19.94 67.33 34.21 22.58 67.03 35.15 21.88 68.26 33.13 22.05 69.63 33.73 21.73 2 0 21.36-999 ?-999 ?-999 ? O8 UNL B 288 mVAL^B 208 66.89 34.08 23.83 67.15 33.21 24.26 66.99 36.19 25.09 67.92 35.94 25.86 66.11 35.10 24.49 65.24 34.50 25.61 3 0 18.53-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 209 66.70 37.42 24.72 65.91 37.49 24.10 66.54 39.67 25.70 65.33 39.72 25.40 67.45 38.57 25.17 68.33 39.14 24.03 3 0 17.50-999 ?-999 ?-999 ? O8 UNL B 288 mSER^B 210 67.15 40.53 26.50 68.12 40.34 26.63 66.68 42.93 26.33 67.73 43.12 25.76 66.47 41.66 27.15 67.06 41.86 28.54 2 0 15.48-999 ?-999 ?-999 ? O1 UNL B 288 mTHR.B 211 65.67 43.81 26.26 64.79 43.46 26.58 66.72 46.00 26.69 67.26 47.03 26.29 65.87 45.15 25.75 64.54 45.94 25.62 2 0 13.62-999 ?-999 ?-999 ? O8 UNL B 288 mGLY.B 212 66.79 45.62 27.96 66.28 44.78 28.17 66.75 47.37 29.73 67.29 48.09 30.54 67.57 46.37 28.94-999.99-999.99-999.99 1 0 15.75-999 ?-999 ?-999 ? O1 UNL B 288 mTHR.B 213 65.44 47.41 29.51 65.11 46.71 28.87 63.23 47.83 30.56 62.80 46.79 30.07 64.59 48.40 30.15 64.33 49.64 29.22 2 0 13.25-999 ?-999 ?-999 ? O1 UNL B 288 mARG.B 214 62.57 48.56 31.46 63.11 49.30 31.85 60.31 49.31 31.14 59.31 49.72 31.69 61.21 48.29 31.84 61.04 48.38 33.36 2 0 11.09-999 ?-999 ?-999 ? O1 UNL B 288 mILE.B 215 60.67 49.67 29.91 61.51 49.22 29.58 59.26 49.85 27.95 59.84 48.92 27.35 59.94 50.61 29.10 60.85 51.67 28.50 3 0 9.07-999 ?-999 ?-999 ? O1 UNL B 288 mVAL.B 216 58.03 50.25 27.68 57.69 50.94 28.32 57.98 50.11 25.27 58.56 51.19 25.13 57.26 49.75 26.57 55.85 50.41 26.58 3 0 5.57-999 ?-999 ?-999 ? O1 UNL B 288 mGLY.B 217 57.92 49.21 24.32 57.43 48.38 24.57 60.04 49.30 23.09 60.60 48.54 23.89 58.54 49.43 23.04-999.99-999.99-999.99 1 0 5.83-999 ?-999 ?-999 ? O8 UNL B 288 mVAL.B 218 60.70 50.03 22.22 60.11 50.61 21.64 62.67 51.44 22.11 62.86 52.03 21.06 62.14 50.01 22.09 62.58 49.30 20.76 3 0 9.46-999 ?-999 ?-999 ? O8 UNL B 288 mPRO.B 219 62.88 52.02 23.29 62.65 51.45 24.08 64.91 53.35 23.06 65.72 52.98 23.89 63.42 53.38 23.40 63.20 53.72 24.87 3 0 11.84-999 ?-999 ?-999 ? O8 UNL B 288 mLEU.B 220 65.22 53.73 21.83 64.48 54.19 21.33 67.67 54.16 22.02 68.81 53.71 21.92 66.53 53.50 21.26 66.53 53.93 19.78 3 0 14.76-999 ?-999 ?-999 ? O8 UNL B 288 mLYS.B 221 67.39 55.19 22.80 66.43 55.48 22.80 68.65 55.15 24.94 69.57 55.53 25.66 68.45 55.81 23.58 68.20 57.32 23.72 2 0 17.42-999 ?-999 ?-999 ? O8 UNL B 288 mLEU.B 222 67.80 54.19 25.29 67.16 53.91 24.58 68.14 52.13 26.64 68.56 51.58 27.65 67.85 53.60 26.64 66.54 53.88 27.40 3 0 16.45-999 ?-999 ?-999 ? O8 UNL B 288 mVAL.B 223 67.92 51.47 25.50 67.64 52.04 24.73 69.54 49.68 25.61 70.41 50.51 25.40 68.09 50.03 25.43 67.61 49.45 24.10 3 0 15.57-999 ?-999 ?-999 ? O8 UNL B 288 mSER~B 224 69.80 48.43 26.00 69.00 47.83 26.03 72.02 47.89 25.11 71.53 47.77 23.99 71.14 48.01 26.34 71.12 46.65 27.03 2 0 18.60-999 ?-999 ?-999 ? O8 UNL B 288 mARG~B 225 73.33 47.91 25.36 73.56 48.14 26.31 74.14 46.22 23.74 74.27 46.06 22.54 74.34 47.61 24.35 75.76 47.72 24.95 2 0 21.50-999 ?-999 ?-999 ? O8 UNL B 288 mGLU~B 226 73.79 45.22 24.55 73.71 45.47 25.52 72.34 43.86 23.08 72.35 43.16 22.04 73.54 43.88 24.01 73.30 42.87 25.13 2 0 21.08-999 ?-999 ?-999 ? O8 UNL B 288 mPHE~B 227 71.27 44.56 23.46 71.33 45.00 24.35 70.52 45.28 21.24 70.17 44.77 20.18 70.12 44.64 22.58 68.97 45.42 23.19 3 0 17.53-999 ?-999 ?-999 ? O8 UNL B 288 mMETB 228 71.26 46.38 21.29 71.51 46.67 22.22 72.51 46.23 19.14 72.39 46.33 17.92 71.66 47.08 20.06 72.38 48.39 20.39 2 0 18.95-999 ?-999 ?-999 ? O8 UNL B 288 mGLU~B 229 73.36 45.39 19.70 73.37 45.41 20.70 73.32 43.54 18.15 73.54 43.28 16.97 74.20 44.51 18.90 75.26 43.78 19.74 2 0 21.89-999 ?-999 ?-999 ? O8 UNL B 288 mALA~B 230 72.28 43.03 18.80 72.20 43.30 19.75 70.57 42.90 17.05 70.36 42.42 15.94 71.36 42.13 18.11 70.41 41.49 19.11 2 0 19.88-999 ?-999 ?-999 ? O8 UNL B 288 mPHE~B 231 70.14 44.10 17.44 70.40 44.34 18.37 70.13 45.32 15.30 69.61 45.22 14.21 69.35 44.99 16.57 69.00 46.28 17.30 3 0 17.78-999 ?-999 ?-999 ? O8 UNL B 288 mASN~B 232 71.40 45.70 15.47 71.71 45.72 16.42 72.66 44.87 13.45 72.83 45.05 12.24 72.26 46.04 14.34 73.50 46.78 14.84 2 0 21.14-999 ?-999 ?-999 ? O8 UNL B 288 mLYS~B 233 72.79 43.67 14.00 72.64 43.67 14.99 71.94 41.84 12.45 72.12 41.13 11.45 73.13 42.46 13.20 73.78 41.39 14.10 2 0 22.99-999 ?-999 ?-999 ? O8 UNL B 288 mALA~B 234 70.72 42.08 12.93 70.71 42.68 13.73 69.44 41.74 10.83 69.70 42.81 10.35 69.51 41.51 12.33 68.26 42.09 13.00 2 0 20.59-999 ?-999 ?-999 ? O8 UNL B 288 mASP.B 235 69.10 40.69 10.09 69.10 39.82 10.58 67.34 41.28 8.53 67.04 42.03 7.61 68.78 40.82 8.68 68.98 39.49 7.97 2 0 22.32-999 ?-999 ?-999 ? O8 UNL B 288 mVAL^B 236 66.49 40.81 9.46 66.93 40.25 10.15 64.68 41.34 10.93 65.17 40.64 11.81 65.05 41.09 9.48 64.18 39.86 9.03 3 0 19.19-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 237 63.81 42.30 11.18 63.52 42.80 10.36 61.82 42.53 12.51 61.18 43.21 11.72 63.32 42.60 12.54 63.79 43.98 13.02 3 0 15.48-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 238 61.26 41.64 13.30 61.91 41.03 13.76 59.47 42.21 14.81 59.92 41.76 15.88 59.83 41.56 13.47 59.35 40.09 13.46 3 0 13.17-999 ?-999 ?-999 ? O8 UNL B 288 mALA^B 239 58.65 43.25 14.73 58.34 43.44 13.80 56.73 43.93 16.14 55.92 44.33 15.29 58.25 44.04 15.89 58.62 45.51 15.69 2 0 9.47-999 ?-999 ?-999 ? O8 UNL B 288 mLYS^B 240 56.37 43.43 17.31 57.15 43.21 17.90 54.33 44.39 18.43 54.89 44.89 19.41 54.96 43.22 17.70 54.87 42.00 18.62 2 0 7.17-999 ?-999 ?-999 ? O8 UNL B 288 mGLY~B 241 53.17 44.85 17.95 52.97 44.54 17.02 52.58 47.20 18.59 53.51 47.64 17.89 52.30 45.73 18.72-999.99-999.99-999.99 1 0 4.57-999 ?-999 ?-999 ? O8 UNL B 288 mGLN~B 242 51.75 47.97 19.28 51.16 47.48 19.92 52.92 50.13 19.64 53.44 51.02 18.99 51.71 49.42 19.09 50.40 50.01 19.66 2 0 -4.02-999 ?-999 ?-999 ? O8 UNL B 288s mGLY~B 243 53.37 49.76 20.83 52.85 49.01 21.24 55.84 50.26 20.68 56.59 51.22 20.49 54.53 50.42 21.45-999.99-999.99-999.99 1 0 -3.16-999 ?-999 ?-999 ? O8 UNL B 288s mASN~B 244 56.10 49.05 20.22 55.46 48.33 20.51 57.11 49.61 18.09 58.07 50.19 17.62 57.23 48.79 19.37 57.38 47.29 19.08 2 0 5.48-999 ?-999 ?-999 ? O8 UNL B 288 mPHE~B 245 55.91 49.71 17.54 55.20 49.17 17.99 56.07 52.00 16.64 56.84 52.62 15.89 55.73 50.56 16.36 54.30 50.43 15.82 3 0 7.35-999 ?-999 ?-999 ? O8 UNL B 288 mGLU~B 246 55.52 52.54 17.70 55.02 51.91 18.30 57.09 54.34 18.15 57.50 55.41 17.73 55.65 53.96 17.96 54.88 54.35 19.20 2 0 8.07-999 ?-999 ?-999 ? O8 UNL B 288 mTHR~B 247 57.85 53.49 18.83 57.38 52.65 19.11 60.20 53.47 17.95 61.26 54.04 17.90 59.25 53.75 19.12 59.72 52.98 20.35 2 0 9.27-999 ?-999 ?-999 ? O8 UNL B 288 mLEU~B 248 59.83 52.58 17.03 58.92 52.21 17.18 60.37 52.85 14.59 61.16 52.82 13.65 60.71 52.19 15.92 60.68 50.68 15.75 3 0 11.13-999 ?-999 ?-999 ? O8 UNL B 288 mSER~B 249 59.20 53.46 14.50 58.67 53.49 15.35 59.35 55.42 13.03 59.18 56.00 11.99 58.75 54.03 13.24 57.23 54.12 13.23 2 0 12.61-999 ?-999 ?-999 ? O8 UNL B 288 mGLU.B 250 60.05 55.95 14.03 59.99 55.45 14.89 61.93 56.99 12.79 62.18 57.86 11.97 60.82 57.19 13.84 61.41 57.66 15.18 2 0 15.00-999 ?-999 ?-999 ? O8 UNL B 288 mILE.B 251 62.56 55.81 12.80 62.10 55.10 13.32 63.67 55.03 10.70 62.76 54.28 10.43 63.83 55.62 12.09 64.79 54.73 12.91 3 0 17.00-999 ?-999 ?-999 ? O8 UNL B 288 mASN.B 252 64.63 55.36 9.84 65.31 55.98 10.22 65.36 53.51 8.47 66.59 53.43 8.54 64.67 54.87 8.48 65.44 55.88 7.60 2 0 19.66-999 ?-999 ?-999 ? O8 UNL B 288 mASP.B 253 64.56 52.44 8.43 63.59 52.64 8.34 64.16 50.01 7.93 63.20 49.62 8.59 65.11 51.08 8.50 65.49 50.78 9.95 2 0 18.94-999 ?-999 ?-999 ? O8 UNL B 288 mSER.B 254 64.46 49.53 6.73 65.36 49.81 6.39 63.62 47.20 6.39 62.86 46.38 5.90 63.56 48.66 5.97 63.91 48.76 4.49 2 0 19.80-999 ?-999 ?-999 ? O8 UNL B 288 mARG.B 255 64.53 46.87 7.30 65.17 47.60 7.53 63.39 45.25 8.82 63.15 44.09 9.18 64.57 45.54 7.89 65.87 45.38 8.68 2 0 18.97-999 ?-999 ?-999 ? O8 UNL B 288 mILE^B 256 62.67 46.29 9.23 62.88 47.15 8.77 60.27 45.97 9.68 59.86 46.75 8.78 61.66 46.16 10.28 61.63 47.42 11.19 3 0 15.25-999 ?-999 ?-999 ? O8 UNL B 288 mPHE^B 257 59.56 44.96 10.18 60.08 44.40 10.81 57.37 44.79 11.12 57.72 44.19 12.18 58.16 44.68 9.85 58.00 43.23 9.31 3 0 14.22-999 ?-999 ?-999 ? O8 UNL B 288 mPHE^B 258 56.35 45.63 11.07 56.26 46.07 10.17 54.24 44.98 12.04 53.57 45.06 11.00 55.46 45.87 12.19 54.99 47.33 12.24 3 0 10.97-999 ?-999 ?-999 ? O8 UNL B 288 mLEU^B 259 53.94 44.20 13.09 54.59 44.29 13.84 51.93 43.76 14.32 52.34 43.63 15.45 52.78 43.32 13.15 53.23 41.86 13.39 3 0 10.58-999 ?-999 ?-999 ? O8 UNL B 288 mLEU^B 260 50.76 44.35 14.04 50.53 44.40 13.07 48.49 45.03 14.62 48.21 45.06 13.43 49.91 44.86 15.09 50.41 46.24 15.56 3 0 8.45-999 ?-999 ?-999 ? O7 UNL B 288 mLYS^B 261 47.63 45.21 15.61 47.94 44.91 16.51 46.37 47.29 15.82 46.81 47.67 16.90 46.34 45.80 15.42 45.26 45.06 16.22 2 0 8.27-999 ?-999 ?-999 ? O5 UNL B 288 mALA.B 262 45.84 48.12 14.94 45.49 47.67 14.11 44.56 49.85 16.02 43.56 50.39 15.56 45.78 49.56 15.15 45.68 50.28 13.83 2 0 9.18-999 ?-999 ?-999 ? O5 UNL B 288 mLYS.B 263 44.68 49.46 17.28 45.58 49.08 17.50 43.31 51.03 18.59 42.14 51.39 18.75 43.61 49.58 18.25 43.99 48.90 19.56 2 0 -7.67-999 ?-999 ?-999 ? O5 UNL B 288s mCYH~B 264 44.34 51.86 18.76 45.24 51.48 18.59 43.96 54.15 17.93 44.64 53.94 16.93 44.07 53.24 19.15 45.08 53.74 20.17 2 0 9.07-999 ?-999 ?-999 ? O5 UNL B 288 mPRO~B 265 43.06 55.15 18.01 42.59 55.28 18.88 44.08 56.74 16.40 44.28 56.99 15.20 42.85 55.97 16.82 41.68 56.88 17.18 3 0 12.80-999 ?-999 ?-999 ? O5 UNL B 288 mALA~B 266 44.92 57.09 17.37 44.62 56.84 18.29 47.05 56.92 16.17 47.58 57.39 15.17 46.17 57.78 17.05 46.90 58.16 18.32 2 0 12.97-999 ?-999 ?-999 ? O3 UNL B 288 mVAL~B 267 47.22 55.65 16.54 46.76 55.41 17.39 47.37 54.46 14.40 48.03 54.49 13.36 48.03 54.72 15.76 48.34 53.41 16.55 3 0 10.72-999 ?-999 ?-999 ? O7 UNL B 288 mALA~B 268 46.05 54.28 14.38 45.60 54.27 15.27 45.63 55.32 12.23 45.86 55.18 11.03 45.37 54.11 13.11 43.90 53.92 13.32 2 0 13.16-999 ?-999 ?-999 ? O5 UNL B 288 mARG~B 269 45.58 56.52 12.81 45.36 56.51 13.79 47.32 57.80 11.63 47.59 58.16 10.49 45.84 57.73 12.05 45.38 58.96 12.86 2 0 13.32-999 ?-999 ?-999 ? O2 EDO A 290 mGLU~B 270 48.26 57.43 12.50 47.90 57.20 13.40 49.86 56.44 10.91 50.41 56.86 9.90 49.69 57.37 12.13 50.58 56.93 13.32 2 0 14.46-999 ?-999 ?-999 ? O8 UNL B 288 mLEU~B 271 49.32 55.22 10.98 48.88 55.05 11.86 48.49 54.54 8.64 48.63 53.88 7.62 49.37 54.24 9.87 48.97 52.87 10.40 3 0 14.66-999 ?-999 ?-999 ? O8 UNL B 288 mLYS~B 272 47.59 55.50 8.74 47.64 56.01 9.61 45.75 54.55 7.36 45.56 54.19 6.19 46.60 55.78 7.69 47.27 56.34 6.41 2 0 15.45-999 ?-999 ?-999 ? O2 EDO A 290 mVAL.B 273 45.24 53.92 8.41 45.54 54.28 9.30 43.10 53.05 9.14 43.15 53.85 10.06 44.31 52.81 8.27 44.97 51.49 8.70 3 0 16.90-999 ?-999 ?-999 ? O5 UNL B 288 mPRO.B 274 42.01 52.30 8.90 42.04 51.71 8.09 41.18 51.87 11.16 42.01 50.93 11.31 40.87 52.40 9.80 39.81 51.51 9.13 3 0 16.63-999 ?-999 ?-999 ? O5 UNL B 288 mLYS.B 275 40.54 52.44 12.18 39.94 53.21 11.93 40.42 50.48 13.56 39.43 50.03 13.02 40.72 51.96 13.53 39.81 52.66 14.55 2 0 13.65-999 ?-999 ?-999 ? O5 UNL B 288 mGLY.B 276 41.28 49.72 14.21 42.07 50.20 14.58 41.71 47.46 13.26 41.76 46.24 13.37 41.05 48.29 14.34-999.99-999.99-999.99 1 0 11.80-999 ?-999 ?-999 ? O5 UNL B 288 mALA.B 277 42.24 48.11 12.22 42.15 49.10 12.25 44.01 46.47 11.65 44.72 46.78 12.63 42.88 47.39 11.14 43.39 48.35 10.09 2 0 13.47-999 ?-999 ?-999 ? O5 UNL B 288 mLEU^B 278 44.15 45.32 11.00 43.44 45.12 10.34 46.29 44.72 10.19 45.94 44.87 9.03 45.28 44.44 11.26 44.88 42.99 11.21 3 0 12.70-999 ?-999 ?-999 ? O5 UNL B 288 mVAL^B 279 47.56 44.75 10.58 47.71 44.38 11.49 49.85 44.38 9.87 50.22 43.98 10.96 48.62 45.28 9.75 48.89 46.74 10.22 3 0 13.68-999 ?-999 ?-999 ? O7 UNL B 288 mCYH^B 280 50.42 44.02 8.73 49.80 44.07 7.95 52.42 44.60 7.66 52.11 44.60 6.45 51.81 43.58 8.63 51.89 42.17 8.04 2 0 14.41-999 ?-999 ?-999 ? O2 EDO B 290 mMETB 281 53.27 45.47 8.17 53.53 45.31 9.13 55.26 46.71 7.51 55.81 46.84 8.61 53.77 46.56 7.40 53.14 47.86 7.89 2 0 15.34-999 ?-999 ?-999 ? O8 UNL B 288 mARG^B 282 55.92 46.72 6.37 55.35 46.57 5.56 57.62 48.42 6.54 56.87 49.28 6.05 57.36 46.93 6.34 57.96 46.46 5.04 2 0 16.94-999 ?-999 ?-999 ? O8 UNL B 288 mASN.B 283 58.69 48.71 7.27 59.23 47.91 7.54 59.62 50.79 6.41 60.83 50.85 6.22 59.03 50.06 7.63 60.02 50.03 8.79 2 0 16.35-999 ?-999 ?-999 ? O8 UNL B 288 mLYS.B 284 58.75 51.26 5.53 57.80 51.02 5.74 58.28 53.30 4.21 57.18 53.37 4.77 59.16 52.06 4.37 59.06 51.27 3.06 2 0 19.74-999 ?-999 ?-999 ? O8 UNL B 288 mPHE.B 285 58.76 54.25 3.42 59.69 54.08 3.10 56.68 54.97 2.35 56.75 54.11 1.50 57.96 55.44 3.06 58.79 56.35 2.14 3 0 21.56-999 ?-999 ?-999 ? O8 UNL B 288 mLYS.B 286 55.52 55.51 2.73 55.62 56.18 3.47 53.56 56.40 1.59 53.56 57.40 2.29 54.23 55.14 2.09 53.30 54.41 3.09 2 0 20.88-999 ?-999 ?-999 ? O2 EDO A 290