HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAR-07 2PD0 COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; SOURCE 3 ORGANISM_TAXID: 5807; SOURCE 4 GENE: XP_626409; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) ROSETTA-R3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: P28A-LIC AUTHOR M.CYMBOROWSKI,M.CHRUSZCZ,T.HILLS,J.LEW,M.MELONE,Y.ZHAO,J.ARTZ, AUTHOR 2 A.WERNIMONT,A.EDWARDS,M.SUNDSTROM,J.WEIGELT,A.BOCHKAREV, AUTHOR 3 C.ARROWSMITH,R.HUI,W.MINOR,STRUCTURAL GENOMICS CONSORTIUM (SGC) HET MSE A 25 8 HET MSE A 131 8 HET MSE A 164 8 HET MSE B 25 8 HET MSE B 131 8 HET MSE B 164 8 HET MSE C 25 8 HET MSE C 131 8 HET MSE C 164 8 HET MSE D 25 8 HET MSE D 131 8 HET MSE D 164 8 HET MES D 501 12 HET MES A 502 12 HET MES B 503 12 HET MES C 504 12 SITE 1 AC1 10 ASN D 6 PHE D 8 ARG D 86 ARG D 87 SITE 1 AC2 8 ASN A 6 PHE A 8 ARG A 86 ARG A 87 SITE 1 AC3 12 ASN B 6 PHE B 8 ARG B 86 ARG B 87 SITE 1 AC4 9 ASN C 6 PHE C 8 ARG C 86 TYR C 119 mSER.A 0 48.45 87.46 71.71 49.39 87.29 72.02 46.34 88.60 72.23 45.56 88.13 73.06 47.09 87.70 71.26 46.34 86.37 71.09 2 0 17.58-999 ?-999 ?-999 ? C3 MES A 502 mLYS.A 1 46.58 89.90 72.13 46.95 90.32 72.96 47.60 91.18 70.29 48.24 90.51 69.47 46.31 90.64 70.90 45.34 91.78 71.16 2 0 18.39-999 ?-999 ?-999 ? C2 MES A 502 mLEU.A 2 48.01 92.39 70.59 47.28 93.07 70.64 49.83 92.48 72.28 49.01 92.32 73.09 49.41 92.68 70.83 49.71 94.08 70.38 3 0 17.60-999 ?-999 ?-999 ? C2 MES A 502 mLEU.A 3 51.12 92.54 72.58 51.68 92.82 71.81 51.69 93.45 74.79 51.61 94.58 74.31 51.66 92.22 73.90 53.06 91.62 73.77 3 0 14.03-999 ?-999 ?-999 ? C2 MES A 502 mGLY^A 4 51.81 93.23 76.10 51.52 92.32 76.39 53.64 93.77 77.60 54.05 92.62 77.34 52.33 94.25 77.01-999.99-999.99-999.99 1 0 11.78-999 ?-999 ?-999 ? C2 MES A 502 mVAL^A 5 54.29 94.63 78.38 53.92 95.56 78.36 55.11 94.28 80.66 54.73 95.33 81.15 55.46 94.22 79.19 56.73 95.09 78.93 3 0 9.68-999 ?-999 ?-999 ? C2 MES A 502 mASN.A 6 55.11 93.21 81.32 55.19 92.42 80.71 56.24 93.77 83.43 57.36 93.69 82.90 55.00 93.16 82.75 54.78 91.72 83.19 2 0 -6.16-999 ?-999 ?-999 ? O1 MES A 502s mSER~A 7 56.01 94.39 84.59 55.07 94.30 84.93 58.25 94.28 85.72 59.34 94.79 85.85 57.03 95.14 85.30 56.37 95.91 86.45 2 0 6.17-999 ?-999 ?-999 ? O1 MES A 502 mPHE~A 8 58.06 92.97 85.85 57.11 92.69 85.74 60.32 92.10 85.11 61.50 92.01 85.50 59.17 92.04 86.13 58.62 90.60 86.19 3 0 -4.49-999 ?-999 ?-999 ? O1 MES A 502s mALA~A 9 59.97 92.23 83.83 58.98 92.28 83.71 61.85 93.52 82.65 62.89 93.53 81.97 60.94 92.29 82.71 60.19 92.15 81.35 2 0 7.69-999 ?-999 ?-999 ? O1 MES A 502 mLEU~A 10 61.47 94.55 83.39 60.70 94.35 84.00 63.53 95.82 83.93 64.42 96.58 83.51 62.10 95.85 83.33 61.20 96.87 84.01 3 0 9.93-999 ?-999 ?-999 ? O1 MES A 502 mARG~A 11 63.73 94.88 84.85 62.88 94.44 85.15 66.09 94.12 84.29 67.28 94.24 84.57 65.04 94.51 85.37 64.92 93.34 86.35 2 0 10.76-999 ?-999 ?-999 ? O1 MES A 502 mGLN~A 12 65.66 93.67 83.11 64.66 93.65 83.02 67.14 94.37 81.20 68.02 94.14 80.38 66.57 93.24 82.06 65.93 92.16 81.17 2 0 12.74-999 ?-999 ?-999 ? O1 MES A 502 mPHE~A 13 66.66 95.59 81.41 65.95 95.65 82.11 68.13 97.54 81.52 68.54 98.62 81.13 67.14 96.73 80.67 65.97 97.54 80.05 3 0 15.17-999 ?-999 ?-999 ? O1 MES A 502 mVAL~A 14 68.55 96.96 82.64 68.16 96.06 82.80 70.79 96.77 83.61 70.75 95.57 83.91 69.49 97.59 83.55 68.86 97.77 84.97 3 0 16.42-999 ?-999 ?-999 ? O1 MES A 502 mGLU.A 15 71.91 97.42 83.28 71.80 98.38 83.05 73.50 96.22 84.65 73.22 96.85 85.69 73.20 96.76 83.27 74.34 97.66 82.76 2 0 19.27-999 ?-999 ?-999 ? O3S MES A 502 mGLY.A 16 74.06 95.04 84.61 74.32 94.77 83.68 73.27 93.08 85.87 73.40 92.28 86.80 74.30 94.18 85.69-999.99-999.99-999.99 1 0 18.23-999 ?-999 ?-999 ? O3S MES A 502 mTYR.A 17 72.23 93.04 85.03 72.20 93.78 84.35 71.95 90.62 84.96 72.82 90.46 84.09 71.24 91.98 85.12 70.11 92.20 84.08 3 0 14.54-999 ?-999 ?-999 ? O3S MES A 502 mARG.A 18 71.58 89.64 85.77 70.85 89.87 86.41 71.53 87.41 84.70 70.70 86.57 85.07 72.23 88.33 85.70 72.37 87.69 87.09 2 0 13.79-999 ?-999 ?-999 ? O3S MES A 502 mGLY.A 19 71.87 87.58 83.43 72.63 88.22 83.31 71.18 87.89 81.14 72.10 88.74 81.00 71.21 86.91 82.31-999.99-999.99-999.99 1 0 13.24-999 ?-999 ?-999 ? O3S MES A 502 mSER.A 20 70.13 87.80 80.32 69.42 87.18 80.65 69.79 90.04 79.27 68.69 90.48 79.62 70.04 88.56 79.07 69.00 87.96 78.14 2 0 14.21-999 ?-999 ?-999 ? O3S MES A 502 mTYR.A 21 70.84 90.83 79.09 71.68 90.35 78.83 70.47 92.82 77.89 71.21 92.54 76.96 70.75 92.27 79.25 72.04 92.87 79.81 3 0 16.18-999 ?-999 ?-999 ? O3S MES A 502 mILE.A 22 69.38 93.60 77.78 68.85 93.71 78.62 69.52 95.67 76.52 68.95 96.54 77.16 69.02 94.23 76.53 67.51 94.13 76.25 3 0 17.63-999 ?-999 ?-999 ? O3S MES A 502 mPRO.A 23 70.62 95.93 75.78 70.96 95.20 75.19 70.61 98.28 74.93 70.02 97.92 73.91 71.22 97.25 75.88 72.69 96.99 75.53 3 0 20.92-999 ?-999 ?-999 ? O1 MES A 502 mARG.A 24 70.75 99.56 75.31 70.95 99.66 76.29 69.22 100.86 73.76 69.07 101.46 72.68 70.61 100.70 74.39 71.68 100.61 73.29 2 0 22.83-999 ?-999 ?-999 ? O1 MES A 502 mMETA 25 68.21 100.33 74.43 68.49 99.87 75.28 65.96 100.45 75.22 66.24 99.80 76.21 66.84 100.41 73.99 66.51 99.19 73.14 2 0 20.70-999 ?-999 ?-999 ? O1 MES A 502 mSER~A 26 64.89 101.24 75.15 64.84 101.79 74.31 62.97 100.04 76.16 62.71 99.51 75.09 63.90 101.26 76.22 63.07 102.56 76.16 2 0 18.29-999 ?-999 ?-999 ? O1 MES A 502 mPRO~A 27 62.44 99.59 77.32 62.83 99.99 78.14 60.23 98.84 76.33 59.78 97.91 75.65 61.37 98.58 77.32 60.85 98.64 78.75 3 0 14.84-999 ?-999 ?-999 ? O1 MES A 502 mTYR~A 28 59.78 100.09 76.27 60.22 100.68 76.94 59.12 100.39 73.86 58.30 99.87 73.10 58.75 100.56 75.34 58.42 102.01 75.69 3 0 16.80-999 ?-999 ?-999 ? O1 MES A 502 mGLU~A 29 60.34 100.82 73.48 60.83 101.29 74.21 61.11 99.12 71.88 61.00 98.67 70.74 60.91 100.61 72.14 62.25 101.36 71.98 2 0 19.76-999 ?-999 ?-999 ? O1 MES A 502 mPHE~A 30 61.43 98.36 72.92 61.58 98.85 73.78 60.17 96.30 72.48 60.07 95.50 71.61 61.54 96.92 72.78 62.23 96.24 74.01 3 0 17.61-999 ?-999 ?-999 ? O1 MES A 502 mLEU~A 31 59.13 96.69 73.18 59.38 97.33 73.92 57.07 96.58 71.55 56.39 95.71 70.99 57.74 96.24 72.91 56.80 96.65 74.06 3 0 16.35-999 ?-999 ?-999 ? O1 MES A 502 mARG~A 32 57.22 97.79 71.04 57.65 98.45 71.65 57.44 97.21 68.59 56.77 96.75 67.65 56.76 98.07 69.65 56.85 99.55 69.25 2 0 19.92-999 ?-999 ?-999 ? C2 MES A 502 mASN~A 33 58.74 96.98 68.71 59.17 97.37 69.52 58.91 94.75 67.79 58.70 94.14 66.81 59.43 96.20 67.72 60.93 96.26 67.92 2 0 21.33-999 ?-999 ?-999 ? C2 MES A 502 mVAL~A 34 58.70 94.23 68.97 58.89 94.82 69.75 56.82 92.78 68.55 56.49 91.86 67.86 58.22 92.90 69.09 58.21 92.42 70.52 3 0 18.85-999 ?-999 ?-999 ? C3 MES A 502 mASN~A 35 56.00 93.74 68.92 56.37 94.36 69.61 54.56 94.01 66.87 53.64 93.54 66.31 54.70 93.86 68.37 53.93 94.91 69.11 2 0 19.46-999 ?-999 ?-999 ? C2 MES A 502 mASN~A 36 55.49 94.67 66.26 56.14 95.10 66.89 55.85 93.46 64.15 55.21 93.10 63.20 55.57 94.78 64.83 56.56 95.85 64.39 2 0 23.13-999 ?-999 ?-999 ? C2 MES A 502 mTYR~A 37 56.83 92.75 64.70 57.31 93.23 65.44 55.98 90.54 64.19 55.82 89.88 63.23 57.18 91.41 64.30 58.20 90.78 65.24 3 0 21.89-999 ?-999 ?-999 ? C6 MES D 501 mILE~A 38 55.16 90.59 65.21 55.52 91.17 65.94 52.91 90.27 64.24 52.33 89.40 63.67 53.90 89.92 65.33 53.25 90.08 66.76 3 0 21.71-999 ?-999 ?-999 ? C3 MES A 502 mILE~A 39 52.74 91.65 64.11 53.20 92.26 64.76 52.38 91.67 61.63 51.60 91.22 60.81 51.88 92.14 63.01 51.71 93.70 63.05 3 0 23.26-999 ?-999 ?-999 ? C6 MES D 501 mGLU~A 40 53.69 91.77 61.41 54.21 92.05 62.22 54.51 90.02 59.80 54.40 89.61 58.67 54.31 91.50 60.10 55.67 92.19 60.00 2 0 19.86-999 ?-999 ?-999 ? C6 MES D 501 mASN~A 41 54.78 89.22 60.83 54.69 89.65 61.73 54.27 86.78 61.21 54.47 85.61 60.95 55.19 87.84 60.62 56.59 87.62 61.20 2 0 17.77-999 ?-999 ?-999 ? C6 MES D 501 mASN~A 42 53.26 87.20 61.97 53.18 88.20 61.98 53.03 85.03 63.26 52.71 83.92 62.82 52.36 86.31 62.72 51.12 85.96 61.90 2 0 20.04-999 ?-999 ?-999 ? C6 MES D 501 mPRO.A 43 53.96 85.18 64.22 54.09 86.13 64.51 53.88 83.00 65.52 52.76 83.28 65.98 54.72 84.04 64.76 55.72 84.69 65.71 3 0 19.95-999 ?-999 ?-999 ? C6 MES D 501 mTHR.A 44 54.48 81.86 65.74 55.40 81.81 65.35 53.90 80.90 68.00 54.94 81.06 68.62 53.86 80.78 66.48 54.37 79.42 65.96 2 0 21.20-999 ?-999 ?-999 ? O1S MES A 502 mLEU.A 45 52.72 80.88 68.57 51.95 80.83 67.93 52.60 79.57 70.66 51.79 78.72 70.42 52.54 80.93 69.98 51.28 81.68 70.33 3 0 18.08-999 ?-999 ?-999 ? O1S MES A 502 mVAL^A 46 53.59 79.38 71.51 53.96 80.24 71.88 53.85 77.80 73.30 54.12 78.61 74.13 54.11 78.07 71.85 55.59 78.01 71.60 3 0 16.38-999 ?-999 ?-999 ? O1S MES A 502 mASP^A 47 53.33 76.63 73.60 53.16 76.07 72.78 54.31 76.33 75.86 55.37 75.84 75.48 53.06 76.21 74.99 52.61 74.74 75.08 2 0 14.45-999 ?-999 ?-999 ? O1S MES A 502 mGLY.A 48 54.19 76.99 77.01 53.35 77.53 77.10 54.94 75.83 79.07 54.17 74.89 78.83 55.23 76.90 78.04-999.99-999.99-999.99 1 0 10.96-999 ?-999 ?-999 ? O1S MES A 502 mTYR.A 49 55.55 75.98 80.23 55.98 76.88 80.35 54.22 74.77 81.96 53.97 73.71 82.57 55.58 74.95 81.24 56.70 75.28 82.20 3 0 9.71-999 ?-999 ?-999 ? O1S MES A 502 mALA.A 50 53.35 75.79 81.85 53.75 76.58 81.39 51.05 76.47 81.35 51.53 77.16 80.44 51.96 75.75 82.35 51.86 76.39 83.77 2 0 9.93-999 ?-999 ?-999 ? O1S MES A 502 mASP.A 51 49.73 76.33 81.49 49.45 75.78 82.28 48.86 78.47 80.46 48.57 79.08 79.42 48.80 76.95 80.52 47.36 76.52 80.78 2 0 12.32-999 ?-999 ?-999 ? O1S MES A 502 mPHE.A 52 49.22 79.08 81.59 49.39 78.45 82.35 50.65 81.09 81.06 50.89 82.30 81.06 49.35 80.54 81.67 49.18 81.01 83.13 3 0 10.14-999 ?-999 ?-999 ? O1S MES A 502 mCYH^A 53 51.49 80.22 80.53 51.15 79.28 80.50 53.02 80.20 78.61 52.91 79.01 78.33 52.80 80.65 80.04 53.89 80.12 80.95 2 0 8.84-999 ?-999 ?-999 ? O1S MES A 502 mLYS^A 54 53.28 81.18 77.73 53.25 82.09 78.13 54.95 81.56 75.91 55.63 82.26 76.67 53.58 80.99 76.33 52.50 81.60 75.46 2 0 11.75-999 ?-999 ?-999 ? O1S MES A 502 mHIS^A 55 55.33 81.26 74.67 54.67 80.74 74.14 56.47 82.05 72.72 55.71 81.44 71.99 56.62 81.66 74.16 57.58 80.47 74.15 3 0 13.18-999 ?-999 ?-999 ? O1S MES A 502 mILE^A 56 57.21 83.07 72.33 57.55 83.65 73.07 59.00 83.47 70.71 59.67 84.17 71.48 57.50 83.31 70.92 56.68 84.49 70.29 3 0 16.25-999 ?-999 ?-999 ? O3S MES A 502 mPHE^A 57 59.52 82.81 69.68 58.86 82.28 69.16 61.18 83.77 68.14 60.68 83.48 67.08 60.96 82.87 69.36 61.52 81.44 69.16 3 0 17.84-999 ?-999 ?-999 ? O3S MES A 502 mILE^A 58 61.93 84.85 68.28 62.35 84.95 69.18 63.54 86.05 66.91 64.33 86.03 67.85 62.09 85.80 67.18 61.44 87.20 67.47 3 0 20.18-999 ?-999 ?-999 ? O3S MES A 502 mPRO^A 59 63.90 86.34 65.65 63.21 86.23 64.94 65.62 87.96 66.36 64.77 88.81 66.62 65.29 86.79 65.44 65.31 87.23 63.99 3 0 20.07-999 ?-999 ?-999 ? C6 MES D 501 mASN.A 60 66.83 87.96 66.89 67.41 87.20 66.59 67.48 90.28 67.02 68.34 90.34 66.16 67.27 89.00 67.81 68.53 88.51 68.55 2 0 21.46-999 ?-999 ?-999 ? O3S MES A 502 mPHE.A 61 66.64 91.28 67.29 65.93 91.03 67.95 67.48 93.61 67.59 67.52 94.81 67.30 66.74 92.62 66.68 65.34 93.18 66.37 3 0 23.36-999 ?-999 ?-999 ? O3S MES A 502 mTHR.A 62 67.99 93.12 68.71 67.83 92.14 68.81 70.25 93.54 69.73 70.70 92.65 69.02 68.72 93.90 69.71 68.11 93.67 71.16 2 0 22.11-999 ?-999 ?-999 ? O3S MES A 502 mGLU.A 63 70.99 94.27 70.58 70.45 94.98 71.03 72.68 92.96 71.88 73.83 92.64 72.18 72.43 94.07 70.84 73.07 95.39 71.35 2 0 23.21-999 ?-999 ?-999 ? O3S MES A 502 mALA.A 64 71.61 92.36 72.41 70.74 92.63 71.98 72.51 90.16 73.13 72.29 89.56 72.08 71.69 91.40 73.50 70.32 91.00 74.02 2 0 19.85-999 ?-999 ?-999 ? O3S MES A 502 mLYS.A 65 73.46 89.79 73.99 73.47 90.33 74.83 73.96 87.38 74.31 73.16 87.33 75.29 74.41 88.71 73.71 75.79 89.05 74.24 2 0 20.77-999 ?-999 ?-999 ? O3S MES A 502 mGLN.A 66 74.47 86.30 73.74 74.90 86.47 72.85 74.71 85.05 75.85 75.73 85.52 76.27 74.42 84.98 74.35 75.44 84.05 73.69 2 0 19.86-999 ?-999 ?-999 ? O3S MES A 502 mSER.A 67 73.81 84.50 76.65 73.12 83.95 76.19 74.07 83.41 78.92 74.19 83.47 80.15 73.86 84.69 78.08 72.60 85.43 78.49 2 0 17.22-999 ?-999 ?-999 ? O3S MES A 502 mILE^A 68 74.14 82.26 78.25 73.96 82.38 77.27 75.64 80.31 78.17 75.72 80.28 76.93 74.44 80.95 78.87 73.22 79.95 78.81 3 0 17.60-999 ?-999 ?-999 ? O3S MES A 502 mVAL^A 69 76.61 79.82 78.94 76.49 80.01 79.92 77.88 77.71 78.98 77.62 77.54 80.18 77.73 79.09 78.35 79.11 79.89 78.29 3 0 21.09-999 ?-999 ?-999 ? O3S MES A 502 mLYS^A 70 78.25 76.73 78.15 78.28 76.99 77.19 79.76 75.46 79.64 80.76 76.14 79.38 78.60 75.39 78.65 79.00 74.47 77.50 2 0 22.87-999 ?-999 ?-999 ? O3S MES A 502 mILE.A 71 79.63 74.78 80.77 78.72 74.37 80.89 81.62 73.50 81.28 81.13 72.43 80.98 80.73 74.66 81.72 80.22 74.41 83.19 3 0 24.11-999 ?-999 ?-999 ? O3S MES A 502 mTHR.A 72 82.92 73.75 81.24 83.13 74.68 81.54 85.01 72.65 81.95 85.01 73.40 82.92 83.97 72.81 80.83 84.66 73.25 79.43 2 0 27.93-999 ?-999 ?-999 ? O3S MES A 502 mASN.A 73 85.91 71.70 81.84 85.78 71.11 81.05 87.88 72.79 82.88 88.30 73.25 83.93 87.00 71.55 82.81 87.91 70.42 82.39 2 0 30.80-999 ?-999 ?-999 ? O3S MES A 502 mGLU.A 74 88.15 73.28 81.70 87.79 72.68 80.99 88.29 75.79 82.08 89.05 76.65 82.56 88.88 74.52 81.44 88.94 74.76 79.92 2 0 31.70-999 ?-999 ?-999 ? O3S MES A 502 mASN~A 75 86.96 75.96 82.06 86.43 75.16 81.77 85.69 77.32 83.80 85.27 78.40 84.24 86.38 77.27 82.43 85.49 77.83 81.33 2 0 28.41-999 ?-999 ?-999 ? O3S MES A 502 mGLU~A 76 85.59 76.16 84.44 86.00 75.40 83.94 85.56 76.88 86.80 84.86 77.32 87.72 84.96 75.99 85.73 85.12 74.54 86.21 2 0 27.04-999 ?-999 ?-999 ? O3S MES A 502 mLYS~A 77 86.86 77.11 86.70 87.29 76.64 85.93 87.03 79.40 87.64 87.34 80.17 88.53 87.57 77.96 87.64 89.08 77.93 87.31 2 0 29.05-999 ?-999 ?-999 ? O3S MES A 502 mTYR~A 78 86.21 79.76 86.66 86.01 79.04 86.00 84.29 81.32 87.18 83.80 82.43 87.24 85.68 81.13 86.60 85.75 81.73 85.20 3 0 26.66-999 ?-999 ?-999 ? O3S MES A 502 mILE~A 79 83.66 80.22 87.57 84.16 79.38 87.37 82.43 81.10 89.50 83.30 80.88 90.35 82.36 80.23 88.24 81.91 78.77 88.62 3 0 23.52-999 ?-999 ?-999 ? O3S MES A 502 mLYS^A 80 81.56 82.08 89.58 81.17 82.36 88.71 80.01 82.08 91.51 79.18 81.53 90.86 81.21 82.70 90.84 81.00 84.18 90.66 2 0 22.39-999 ?-999 ?-999 ? O3S MES A 502 mTHR^A 81 79.94 82.19 92.82 80.75 82.61 93.24 78.32 82.74 94.57 79.16 83.52 95.03 78.75 81.70 93.55 78.99 80.35 94.32 2 0 20.52-999 ?-999 ?-999 ? O2S MES A 502 mGLY^A 82 77.04 82.71 94.94 76.51 81.99 94.49 74.95 83.60 96.09 74.21 82.93 95.33 76.47 83.66 95.90-999.99-999.99-999.99 1 0 18.95-999 ?-999 ?-999 ? O2S MES A 502 mTYR^A 83 74.48 84.32 97.11 75.18 84.84 97.60 72.50 85.63 96.93 72.79 86.71 97.41 73.09 84.36 97.49 72.98 84.25 99.02 3 0 16.60-999 ?-999 ?-999 ? O2S MES A 502 mILE^A 84 71.67 85.49 95.90 71.39 84.54 95.75 69.68 86.61 95.02 69.11 85.55 94.88 71.21 86.61 95.06 71.72 86.37 93.59 3 0 14.23-999 ?-999 ?-999 ? O2S MES A 502 mSER.A 85 69.03 87.78 95.15 69.63 88.52 95.43 67.29 88.42 93.47 68.03 89.27 92.94 67.56 87.94 94.88 66.87 89.00 95.75 2 0 11.58-999 ?-999 ?-999 ? O2S MES A 502 mARG.A 86 66.19 87.94 92.88 65.71 87.23 93.39 65.20 89.88 91.66 65.27 90.62 90.68 65.73 88.45 91.58 64.70 87.53 90.95 2 0 -9.07-999 ?-999 ?-999 ? O3S MES A 502s mARG.A 87 64.74 90.27 92.84 64.83 89.56 93.54 64.03 91.72 94.64 64.07 90.72 95.36 64.15 91.57 93.13 62.78 91.64 92.46 2 0 -9.30-999 ?-999 ?-999 ? C6 MES A 502s mASP.A 88 63.87 92.95 95.14 63.74 93.64 94.43 62.91 92.42 97.40 63.16 92.11 98.56 63.90 93.23 96.59 63.62 94.70 96.88 2 0 11.58-999 ?-999 ?-999 ? C6 MES A 502 mGLU.A 89 61.77 92.09 96.79 61.75 92.29 95.81 60.90 89.99 97.75 60.25 89.37 98.59 60.66 91.48 97.52 59.35 91.69 96.76 2 0 9.92-999 ?-999 ?-999 ? C6 MES A 502 mGLU.A 90 61.85 89.43 97.01 62.34 90.06 96.41 63.28 87.70 98.02 64.21 88.49 98.14 62.12 88.00 97.07 62.43 87.45 95.68 2 0 9.78-999 ?-999 ?-999 ? C5 MES A 502 mILE.A 91 63.21 86.55 98.69 62.30 86.12 98.68 65.47 85.64 98.37 65.19 85.27 97.23 64.37 85.99 99.36 64.00 84.73 100.17 3 0 11.95-999 ?-999 ?-999 ? O2S MES A 502 mPRO.A 92 66.72 85.75 98.81 66.79 86.08 99.76 68.05 83.92 97.81 67.64 83.16 98.69 67.87 85.43 97.96 69.05 86.03 98.74 3 0 12.85-999 ?-999 ?-999 ? O2S MES A 502 mVAL^A 93 68.67 83.50 96.71 68.98 84.23 96.11 70.27 81.78 95.98 70.92 82.61 95.34 68.84 82.08 96.43 67.87 81.60 95.34 3 0 12.42-999 ?-999 ?-999 ? O2S MES A 502 mLEU^A 94 70.75 80.59 96.33 70.12 80.02 96.85 72.26 80.05 94.46 71.54 79.29 93.81 72.11 80.18 95.97 72.46 78.86 96.65 3 0 15.22-999 ?-999 ?-999 ? O2S MES A 502 mSER^A 95 73.21 80.78 93.93 73.84 81.20 94.58 74.71 80.58 92.07 75.61 80.36 92.90 73.30 80.91 92.50 72.90 82.35 92.09 2 0 15.07-999 ?-999 ?-999 ? O2S MES A 502 mARG^A 96 74.91 80.51 90.76 74.06 80.50 90.22 76.25 81.04 88.75 75.26 80.94 87.98 76.24 80.47 90.17 76.85 79.08 90.23 2 0 17.70-999 ?-999 ?-999 ? O3S MES A 502 mTRP^A 97 77.37 81.67 88.40 78.14 81.58 89.03 78.84 82.68 86.75 79.76 82.62 87.56 77.40 82.41 87.16 76.58 83.75 87.30 3 0 18.29-999 ?-999 ?-999 ? O3S MES A 502 mPHE^A 98 79.03 82.95 85.46 78.26 82.71 84.86 80.17 85.09 85.06 79.23 85.70 84.56 80.25 83.55 84.99 80.54 83.14 83.57 3 0 21.17-999 ?-999 ?-999 ? O3S MES A 502 mPRO.A 99 81.18 85.73 85.67 81.90 85.15 86.05 81.44 87.84 84.40 82.14 87.25 83.58 81.16 87.19 85.76 82.29 87.49 86.75 3 0 22.23-999 ?-999 ?-999 ? O3S MES A 502 mLYS.A 100 80.93 89.06 84.17 80.45 89.45 84.96 82.52 89.95 82.42 82.82 90.09 81.20 81.06 89.73 82.85 80.32 91.09 82.83 2 0 22.98-999 ?-999 ?-999 ? O3S MES A 502 mASP.A 101 83.42 89.99 83.40 83.03 89.88 84.32 85.52 88.92 82.63 86.39 88.99 81.76 84.83 90.19 83.13 85.54 90.76 84.37 2 0 26.65-999 ?-999 ?-999 ? O3S MES A 502 mSER~A 102 85.09 87.77 83.15 84.25 87.86 83.68 85.96 86.05 81.50 85.17 86.42 80.65 85.79 86.49 82.96 85.10 85.41 83.79 2 0 27.03-999 ?-999 ?-999 ? O3S MES A 502 mPRO~A 103 87.04 85.29 81.20 87.67 85.21 81.97 86.11 84.02 79.15 86.04 84.25 77.95 87.30 84.63 79.93 88.33 83.57 80.32 3 0 29.01-999 ?-999 ?-999 ? O3S MES A 502 mPRO~A 104 85.21 83.24 79.81 85.37 83.09 80.79 83.07 83.67 78.56 82.33 83.36 77.64 84.08 82.66 79.10 83.42 81.79 80.16 3 0 26.18-999 ?-999 ?-999 ? O3S MES A 502 mALA~A 105 83.06 84.86 79.14 83.74 84.96 79.86 82.73 86.96 77.77 81.98 87.78 77.22 82.14 85.92 78.74 81.59 86.62 79.97 2 0 24.49-999 ?-999 ?-999 ? O3S MES A 502 mSER~A 106 84.05 86.96 77.57 84.54 86.22 78.05 84.49 87.65 75.21 84.45 88.54 74.37 84.71 87.96 76.69 86.21 88.08 77.01 2 0 27.82-999 ?-999 ?-999 ? O3S MES A 502 mGLN~A 107 84.30 86.38 74.89 84.34 85.77 75.68 82.68 86.34 72.98 82.51 86.61 71.77 84.06 85.92 73.53 84.11 84.39 73.56 2 0 28.37-999 ?-999 ?-999 ? O3S MES A 502 mLEU.A 108 81.69 86.38 73.87 82.01 86.45 74.82 79.85 87.47 72.60 80.31 88.60 72.78 80.26 86.32 73.46 79.33 86.22 74.67 3 0 25.19-999 ?-999 ?-999 ? O3S MES A 502 mILE.A 109 78.97 87.18 71.64 78.72 86.21 71.61 76.90 88.15 70.76 76.29 87.34 71.47 78.44 88.18 70.73 78.97 87.99 69.24 3 0 25.58-999 ?-999 ?-999 ? O3S MES A 502 mLYS.A 110 76.29 89.04 69.98 76.90 89.72 69.57 74.35 87.59 69.54 74.86 86.83 68.68 74.88 89.03 69.75 74.56 89.93 68.54 2 0 23.88-999 ?-999 ?-999 ? O3S MES A 502 mSER.A 111 73.34 87.22 70.34 73.16 87.88 71.06 71.69 86.02 68.88 71.34 87.11 68.43 72.58 85.96 70.15 71.74 85.64 71.39 2 0 21.66-999 ?-999 ?-999 ? O3S MES A 502 mLYS.A 112 71.35 84.85 68.33 71.63 84.04 68.85 69.17 85.05 67.29 68.54 85.68 66.45 70.64 84.77 67.07 70.81 83.40 66.40 2 0 22.23-999 ?-999 ?-999 ? C6 MES D 501 mTYR^A 113 68.62 84.58 68.40 69.28 84.18 69.04 66.90 85.26 69.98 67.83 85.50 70.77 67.17 84.64 68.64 66.48 83.25 68.57 3 0 20.09-999 ?-999 ?-999 ? O3S MES A 502 mLEU^A 114 65.62 85.50 70.23 65.02 85.36 69.44 63.98 84.97 71.89 63.06 84.79 71.12 65.12 85.91 71.53 64.63 87.35 71.51 3 0 16.74-999 ?-999 ?-999 ? O3S MES A 502 mASP^A 115 64.09 84.30 73.04 64.99 84.35 73.48 62.20 84.57 74.46 62.72 85.04 75.42 62.96 83.56 73.60 63.43 82.31 74.40 2 0 13.99-999 ?-999 ?-999 ? O3S MES A 502 mILE^A 116 61.00 84.94 74.02 60.76 84.47 73.17 59.03 85.13 75.47 58.17 84.43 74.92 60.11 85.91 74.67 59.52 86.85 73.60 3 0 12.57-999 ?-999 ?-999 ? O3S MES A 502 mILE^A 117 59.14 85.19 76.79 59.83 85.85 77.10 57.17 85.25 78.09 57.34 86.41 78.50 58.35 84.39 77.69 59.18 83.98 78.99 3 0 9.42-999 ?-999 ?-999 ? O3S MES A 502 mLEU^A 118 55.97 84.69 77.95 56.00 83.73 77.67 53.90 84.83 79.31 53.69 83.63 79.35 54.72 85.41 78.17 53.85 85.37 76.91 3 0 8.89-999 ?-999 ?-999 ? C3 MES A 502 mTYR^A 119 53.42 85.68 80.22 53.81 86.60 80.19 51.01 85.84 80.82 50.91 86.97 80.37 52.38 85.24 81.17 52.73 85.58 82.64 3 0 -6.67-999 ?-999 ?-999 ? C3 MES A 502s mSER^A 120 49.95 85.09 81.09 50.15 84.18 81.43 48.40 86.78 81.81 48.99 86.87 82.90 48.62 85.60 80.88 47.55 84.53 81.13 2 0 9.05-999 ?-999 ?-999 ? C3 MES A 502 mLYS~A 121 47.54 87.70 81.35 47.34 87.60 80.38 46.51 88.22 83.54 46.86 88.79 84.57 46.96 88.75 82.18 45.75 89.29 81.41 2 0 9.22-999 ?-999 ?-999 ? C2 MES A 502 mGLU~A 122 45.73 87.14 83.52 45.51 86.84 82.59 46.36 86.15 85.71 46.30 86.56 86.86 45.23 86.47 84.71 44.49 85.18 84.32 2 0 10.06-999 ?-999 ?-999 ? C2 MES A 502 mGLN~A 123 47.38 85.43 85.24 47.29 85.21 84.27 49.26 86.18 86.62 49.71 86.17 87.75 48.51 84.99 86.09 49.49 84.07 85.35 2 0 7.13-999 ?-999 ?-999 ? C3 MES A 502 mCYH~A 124 49.45 87.18 85.78 49.09 87.05 84.86 49.41 89.07 87.41 50.07 89.49 88.39 50.13 88.39 86.24 50.37 89.40 85.11 2 0 4.69-999 ?-999 ?-999 ? C2 MES A 502 mGLU~A 125 48.08 89.19 87.29 47.73 88.89 86.41 47.24 88.86 89.57 47.31 89.38 90.69 47.22 89.72 88.34 45.77 89.81 87.87 2 0 7.66-999 ?-999 ?-999 ? C2 MES A 502 mLYS~A 126 47.16 87.54 89.37 47.06 87.28 88.41 48.41 86.80 91.35 48.26 86.92 92.54 47.20 86.58 90.46 47.18 85.17 89.91 2 0 8.50-999 ?-999 ?-999 ? C2 MES A 502 mGLU~A 127 49.61 86.86 90.76 49.58 86.78 89.77 50.99 88.44 92.14 51.51 88.60 93.25 50.86 87.03 91.52 52.08 86.75 90.63 2 0 -6.08-999 ?-999 ?-999 ? C2 MES A 502s mSER~A 128 50.52 89.46 91.41 50.19 89.17 90.50 49.56 91.10 93.07 49.75 92.07 93.79 50.48 90.85 91.87 50.06 91.76 90.72 2 0 6.62-999 ?-999 ?-999 ? C6 MES A 502 mSER~A 129 48.58 90.22 93.26 48.48 89.54 92.54 48.26 89.38 95.56 47.51 88.87 96.39 47.72 90.28 94.45 46.29 89.88 94.10 2 0 10.14-999 ?-999 ?-999 ? C6 MES A 502 mILE.A 130 49.58 89.18 95.56 50.06 89.58 94.78 51.52 89.12 97.08 51.96 88.95 98.21 50.24 88.43 96.63 50.57 86.99 96.19 3 0 9.70-999 ?-999 ?-999 ? C6 MES A 502 mMETA 131 52.10 89.91 96.18 51.55 90.10 95.37 53.49 91.94 96.15 54.02 92.70 96.97 53.45 90.44 96.39 54.45 89.73 95.47 2 0 8.00-999 ?-999 ?-999 ? C6 MES A 502 mCYH.A 133 53.66 95.20 93.86 53.11 94.97 93.05 54.81 97.33 93.42 55.78 98.09 93.46 54.95 95.86 93.81 55.88 95.14 92.83 2 0 8.38-999 ?-999 ?-999 ? C6 MES A 502 mCYS.A 134 53.60 97.72 93.04 52.93 96.98 92.97 54.10 99.63 91.58 54.08 100.83 91.28 53.29 99.12 92.77 53.57 99.98 94.00 2 0 11.05-999 ?-999 ?-999 ? O1 MES A 502 mLEU.A 135 54.80 98.72 90.91 54.86 97.83 91.36 54.44 98.98 88.47 53.50 98.25 88.53 55.42 99.03 89.63 56.48 98.01 89.35 3 0 9.63-999 ?-999 ?-999 ? O1 MES A 502 mGLN.A 136 54.70 99.75 87.44 55.58 100.21 87.50 54.33 99.16 85.11 55.49 99.12 84.86 53.78 99.90 86.33 53.46 101.40 86.06 2 0 10.59-999 ?-999 ?-999 ? O1 MES A 502 mASP.A 137 53.45 98.48 84.44 52.53 98.53 84.83 53.91 98.71 82.12 53.56 99.84 82.20 53.75 97.75 83.26 52.60 96.80 83.00 2 0 9.50-999 ?-999 ?-999 ? O1 MES A 502 mILE^A 138 54.51 98.26 81.05 54.80 97.31 81.11 53.81 98.65 78.75 53.88 97.57 78.29 54.72 99.09 79.90 56.23 99.20 79.50 3 0 12.34-999 ?-999 ?-999 ? O1 MES A 502 mLEU^A 139 52.93 99.52 78.35 53.04 100.41 78.79 52.21 99.88 76.02 52.71 101.03 75.96 51.91 99.21 77.35 50.50 99.59 77.82 3 0 14.60-999 ?-999 ?-999 ? C2 MES A 502 mASP.A 140 51.90 99.15 74.96 51.64 98.21 75.18 50.76 100.61 73.46 49.65 100.34 73.94 51.95 99.66 73.60 51.92 98.49 72.56 2 0 17.61-999 ?-999 ?-999 ? C2 MES A 502 mASP.A 141 51.00 101.74 72.82 51.95 101.86 72.53 48.81 102.10 71.73 47.64 102.48 71.87 49.94 102.72 72.57 50.53 104.04 72.00 2 0 20.74-999 ?-999 ?-999 ? C2 MES A 502 mARG.A 142 49.17 101.09 70.93 50.15 100.90 70.92 47.40 99.26 70.93 46.39 98.75 70.41 48.21 100.32 70.15 48.91 99.71 68.92 2 0 21.57-999 ?-999 ?-999 ? C2 MES A 502 mGLU.A 143 47.80 98.96 72.17 48.58 99.50 72.49 47.13 98.18 74.44 48.07 97.83 75.17 47.13 97.93 72.95 47.70 96.56 72.66 2 0 18.53-999 ?-999 ?-999 ? C2 MES A 502 mLYS.A 144 46.03 98.80 74.87 45.37 98.94 74.13 45.53 98.06 77.19 45.85 98.16 78.38 45.77 99.22 76.23 44.53 100.13 76.22 2 0 17.57-999 ?-999 ?-999 ? C2 MES A 502 mASN.A 145 44.96 96.96 76.67 44.86 97.01 75.68 44.92 94.43 76.91 44.06 93.64 76.52 44.51 95.79 77.49 43.00 95.87 77.76 2 0 15.71-999 ?-999 ?-999 ? C2 MES A 502 mPRO.A 146 46.24 94.17 76.86 46.82 94.87 77.27 46.39 91.70 77.02 46.20 91.79 78.21 46.78 92.95 76.25 48.31 93.17 76.31 3 0 14.12-999 ?-999 ?-999 ? C2 MES A 502 mASP.A 147 46.28 90.55 76.34 46.49 90.63 75.37 47.08 88.62 77.64 46.91 87.82 78.57 45.88 89.30 77.01 45.19 88.35 76.02 2 0 13.46-999 ?-999 ?-999 ? C2 MES A 502 mTRP^A 148 48.26 88.94 77.10 48.14 89.66 76.41 50.60 89.43 77.66 50.61 90.40 76.93 49.58 88.34 77.44 50.10 87.46 76.29 3 0 10.99-999 ?-999 ?-999 ? C2 MES A 502 mTYR^A 149 51.48 89.21 78.63 51.32 88.35 79.11 53.93 89.45 78.90 54.08 88.29 79.27 52.58 90.12 78.97 52.42 90.62 80.40 3 0 8.56-999 ?-999 ?-999 ? C2 MES A 502 mILE^A 150 54.94 90.22 78.50 54.66 91.14 78.23 56.85 89.76 79.92 56.92 90.84 80.53 56.32 89.72 78.48 57.22 90.57 77.50 3 0 8.77-999 ?-999 ?-999 ? C3 MES A 502 mILE^A 151 57.19 88.61 80.47 57.00 87.80 79.91 59.33 88.37 81.80 60.04 88.73 82.78 57.81 88.58 81.80 57.14 87.56 82.77 3 0 5.82-999 ?-999 ?-999 ? C3 MES A 502 mSER^A 152 59.83 87.81 80.70 59.16 87.67 79.97 61.65 87.37 79.13 60.85 87.12 78.27 61.22 87.43 80.59 61.46 86.10 81.34 2 0 7.57-999 ?-999 ?-999 ? O3S MES A 502 mILE^A 153 62.92 87.64 78.90 63.44 87.86 79.72 64.81 86.85 77.66 65.67 87.22 78.44 63.50 87.64 77.57 63.81 89.09 77.11 3 0 11.02-999 ?-999 ?-999 ? O3S MES A 502 mLYS^A 154 64.94 85.75 76.91 64.12 85.48 76.41 66.87 85.20 75.53 66.26 84.90 74.50 66.22 85.02 76.86 66.05 83.52 77.12 2 0 12.43-999 ?-999 ?-999 ? O3S MES A 502 mALA^A 155 68.10 85.70 75.56 68.39 85.88 76.50 69.80 84.71 74.13 70.75 84.40 74.89 68.95 85.96 74.39 69.83 87.18 74.65 2 0 16.11-999 ?-999 ?-999 ? O3S MES A 502 mGLN^A 156 69.41 83.98 73.07 68.74 84.42 72.47 70.08 82.26 71.38 69.51 82.92 70.50 69.94 82.64 72.86 69.09 81.62 73.65 2 0 17.88-999 ?-999 ?-999 ? O3S MES A 502 mASN.A 157 70.83 81.20 71.12 71.16 80.72 71.94 70.29 79.62 69.31 70.35 79.23 68.15 71.14 80.77 69.77 72.64 80.48 69.68 2 0 21.29-999 ?-999 ?-999 ? O3S MES A 502 mGLU.A 158 69.49 79.10 70.26 69.67 79.49 71.16 67.12 78.75 69.75 66.75 79.68 70.43 68.47 78.09 70.07 68.31 77.30 71.39 2 0 20.27-999 ?-999 ?-999 ? O3S MES A 502 mSER.A 159 66.36 78.23 68.76 66.82 77.55 68.18 63.96 77.67 69.20 62.98 77.30 68.59 64.94 78.67 68.61 64.56 79.10 67.19 2 0 20.08-999 ?-999 ?-999 ? O3S MES A 502 mPHE.A 160 64.28 77.25 70.42 65.15 77.60 70.75 63.60 76.67 72.70 64.57 77.32 73.08 63.42 76.35 71.20 63.72 74.87 70.85 3 0 18.10-999 ?-999 ?-999 ? O1S MES A 502 mGLU.A 161 62.67 76.25 73.54 61.92 75.75 73.11 63.96 75.77 75.65 64.08 74.57 75.58 62.78 76.50 74.96 61.47 76.18 75.64 2 0 14.57-999 ?-999 ?-999 ? O1S MES A 502 mVAL.A 162 64.81 76.53 76.32 64.61 77.50 76.19 65.31 75.78 78.57 64.52 76.60 79.04 65.91 75.99 77.15 67.08 77.04 77.14 3 0 14.46-999 ?-999 ?-999 ? O3S MES A 502 mPRO.A 163 65.66 74.67 79.25 66.32 74.05 78.82 65.31 75.59 81.62 66.41 76.12 81.67 65.00 74.52 80.58 65.43 73.12 81.05 3 0 12.64-999 ?-999 ?-999 ? O1S MES A 502 mMETA 164 64.32 75.89 82.44 63.47 75.40 82.28 65.44 76.32 84.55 65.60 75.12 84.65 64.50 76.89 83.48 63.16 77.33 84.06 2 0 9.54-999 ?-999 ?-999 ? O1S MES A 502 mGLU~A 165 66.09 77.19 85.29 65.93 78.15 85.06 66.23 75.97 87.44 65.04 76.19 87.68 66.97 76.76 86.36 67.74 77.94 86.96 2 0 10.70-999 ?-999 ?-999 ? O3S MES A 502 mPRO~A 166 66.91 74.99 88.06 67.86 74.85 87.79 65.66 74.93 90.26 64.61 74.53 90.71 66.23 74.20 89.06 67.28 73.15 89.46 3 0 11.54-999 ?-999 ?-999 ? O2S MES A 502 mILE~A 167 66.34 75.98 90.73 67.23 76.11 90.29 64.51 77.54 91.40 63.62 77.66 92.24 65.83 76.86 91.79 66.89 77.91 92.24 3 0 9.70-999 ?-999 ?-999 ? O2S MES A 502 mTHR~A 168 64.41 77.97 90.14 65.25 77.83 89.61 62.02 77.66 89.78 60.99 78.07 90.32 63.21 78.59 89.58 63.36 78.82 88.07 2 0 6.27-999 ?-999 ?-999 ? O2S MES A 502 mILE~A 169 62.19 76.42 89.35 63.05 76.29 88.86 60.84 75.17 91.05 59.65 75.05 91.38 61.22 75.34 89.57 61.76 74.00 89.01 3 0 8.03-999 ?-999 ?-999 ? O2S MES A 502 mLEU~A 170 61.84 75.15 91.93 62.74 75.24 91.50 60.81 76.18 93.96 59.88 75.97 94.71 61.61 75.01 93.37 62.94 74.83 94.11 3 0 9.40-999 ?-999 ?-999 ? O2S MES A 502 mARG~A 171 61.18 77.40 93.58 61.98 77.39 92.98 59.06 78.71 93.47 58.20 79.31 94.12 60.50 78.63 94.00 61.33 79.83 93.52 2 0 6.65-999 ?-999 ?-999 ? O2S MES A 502 mASN~A 172 58.81 78.12 92.30 59.59 77.65 91.89 56.44 77.42 92.51 55.23 77.56 92.29 57.47 78.17 91.69 57.49 77.59 90.29 2 0 -5.51-999 ?-999 ?-999 ? O2S MES A 502s mTHR~A 173 56.95 76.63 93.46 57.95 76.59 93.43 55.59 76.82 95.56 54.73 76.40 96.34 56.18 75.90 94.45 57.13 74.76 95.03 2 0 9.12-999 ?-999 ?-999 ? O2S MES A 502 mLEU~A 174 56.05 78.07 95.61 56.64 78.32 94.84 55.32 80.32 96.06 56.15 81.22 95.91 55.72 79.00 96.67 56.94 79.22 97.58 3 0 8.91-999 ?-999 ?-999 ? O2S MES A 502 mILE~A 175 54.05 80.42 95.77 53.53 79.58 95.88 53.80 82.90 96.21 53.94 83.95 95.71 53.49 81.67 95.35 52.06 81.50 94.79 3 0 8.11-999 ?-999 ?-999 ? O2S MES A 502 mGLU~A 176 53.89 82.71 97.52 53.78 81.75 97.80 55.52 84.38 98.27 55.78 85.53 98.64 54.12 83.81 98.45 53.92 83.35 99.89 2 0 10.29-999 ?-999 ?-999 ? O2S MES A 502 mGLU~A 177 56.42 83.58 97.72 56.04 82.79 97.25 58.46 84.10 96.44 59.60 83.74 96.17 57.85 83.85 97.81 58.58 82.68 98.50 2 0 8.62-999 ?-999 ?-999 ? O2S MES A 502 mGLY~A 178 57.68 84.73 95.56 57.72 85.73 95.61 57.49 83.90 93.25 57.97 84.89 92.70 56.85 84.00 94.62-999.99-999.99-999.99 1 0 5.75-999 ?-999 ?-999 ? O2S MES A 502 mGLY.A 179 57.49 82.69 92.69 58.34 82.46 92.21 55.28 82.12 91.75 54.51 83.06 91.90 56.34 81.81 92.79-999.99-999.99-999.99 1 0 -4.39-999 ?-999 ?-999 ? O2S MES A 502s mSER.A 180 55.25 81.32 90.68 56.09 80.80 90.53 52.96 80.43 90.50 51.78 80.61 90.18 54.07 81.24 89.83 54.44 80.62 88.48 2 0 4.47-999 ?-999 ?-999 ? O1S MES A 502 mGLY.A 181 53.35 79.56 91.42 54.33 79.54 91.61 52.17 77.32 91.48 51.10 76.80 91.66 52.41 78.70 92.07-999.99-999.99-999.99 1 0 7.91-999 ?-999 ?-999 ? O1S MES A 502 mVAL.A 182 53.14 76.69 90.82 53.99 77.22 90.76 53.70 74.26 91.05 54.88 74.46 91.40 52.95 75.35 90.25 53.32 75.37 88.71 3 0 8.84-999 ?-999 ?-999 ? O1S MES A 502 mPRO.A 183 53.04 73.10 91.31 52.12 73.03 90.92 54.85 71.49 91.40 54.92 71.52 90.18 53.61 72.01 92.10 52.55 70.90 92.02 3 0 12.01-999 ?-999 ?-999 ? O1S MES A 502 mLEU.A 184 55.81 70.98 92.16 55.63 71.00 93.15 56.70 69.15 90.82 56.04 68.24 91.35 57.01 70.45 91.56 58.13 70.26 92.59 3 0 12.58-999 ?-999 ?-999 ? O1S MES A 502 mLYS~A 185 57.14 69.10 89.57 57.49 69.97 89.23 58.53 67.37 88.65 59.39 68.01 88.01 57.10 67.86 88.77 56.47 68.06 87.39 2 0 14.49-999 ?-999 ?-999 ? O1S MES A 502 mARG~A 186 58.78 66.26 89.34 57.96 65.90 89.77 60.83 65.48 88.10 62.02 65.79 87.98 60.09 65.63 89.45 59.86 64.25 90.06 2 0 16.84-999 ?-999 ?-999 ? O2S MES C 504 mGLU~A 187 60.11 64.99 87.08 59.16 64.79 87.32 61.15 66.07 85.06 62.17 66.05 84.40 60.66 64.78 85.75 59.69 63.97 84.87 2 0 17.81-999 ?-999 ?-999 ? O1S MES A 502 mLYS~A 188 60.42 67.17 85.21 59.57 67.03 85.71 62.04 68.96 85.48 63.00 69.46 84.89 60.82 68.47 84.71 59.68 69.47 84.89 2 0 14.40-999 ?-999 ?-999 ? O1S MES A 502 mTYR~A 189 61.99 68.85 86.81 61.12 68.50 87.17 64.39 68.47 87.24 65.46 69.07 87.09 63.12 69.22 87.66 62.82 69.03 89.15 3 0 14.17-999 ?-999 ?-999 ? O1S MES A 502 mLEU~A 190 64.28 67.16 87.00 63.35 66.79 87.10 66.00 66.66 85.26 67.20 66.57 85.09 65.45 66.37 86.64 65.28 64.85 86.85 3 0 17.74-999 ?-999 ?-999 ? O1S MES A 502 mGLU~A 191 65.13 66.97 84.29 64.18 66.79 84.53 66.33 68.82 83.14 67.36 69.00 82.51 65.55 67.51 82.98 64.37 67.86 82.05 2 0 17.31-999 ?-999 ?-999 ? O1S MES A 502 mSER~A 192 65.79 69.74 83.93 64.90 69.47 84.30 67.82 70.84 84.82 68.76 71.48 84.36 66.42 71.02 84.25 65.55 71.72 85.25 2 0 14.61-999 ?-999 ?-999 ? O1S MES A 502 mVAL~A 193 67.95 69.95 85.80 67.08 69.55 86.06 70.25 69.03 85.42 71.42 69.43 85.38 69.25 69.61 86.44 69.06 68.59 87.59 3 0 17.22-999 ?-999 ?-999 ? O1S MES A 502 mGLU~A 194 69.81 68.08 84.60 68.87 67.76 84.75 71.26 68.69 82.61 72.39 68.58 82.17 70.70 67.59 83.57 70.08 66.43 82.79 2 0 20.02-999 ?-999 ?-999 ? O1S MES A 502 mPHE~A 195 70.46 69.71 82.28 69.51 69.59 82.57 71.89 71.80 82.40 72.99 72.20 81.94 70.97 70.90 81.57 69.81 71.72 81.04 3 0 18.46-999 ?-999 ?-999 ? O1S MES A 502 mTRP~A 196 71.44 72.14 83.61 70.62 71.65 83.90 73.40 72.68 85.18 74.14 73.47 85.73 72.13 73.17 84.41 71.13 73.95 85.31 3 0 17.13-999 ?-999 ?-999 ? O3S MES A 502 mLYS.A 197 73.63 71.37 85.19 72.87 70.83 84.84 76.07 71.19 84.81 77.23 71.17 85.24 74.89 70.79 85.69 74.81 69.27 85.71 2 0 20.55-999 ?-999 ?-999 ? O2S MES A 502 mGLU.A 198 75.79 71.53 83.56 74.82 71.59 83.33 76.69 73.10 81.94 77.25 73.27 80.88 76.84 71.79 82.64 76.98 70.63 81.65 2 0 21.97-999 ?-999 ?-999 ? O3S MES A 502 mHIS^A 199 75.93 74.02 82.52 75.51 73.72 83.38 75.70 76.36 83.01 75.26 76.05 84.13 75.75 75.36 81.93 74.49 75.46 81.08 3 0 19.41-999 ?-999 ?-999 ? O3S MES A 502 mALA^A 200 76.18 77.58 82.70 76.67 77.63 81.84 75.55 79.98 82.89 75.97 80.25 81.76 75.96 78.71 83.61 77.18 78.98 84.45 2 0 17.95-999 ?-999 ?-999 ? O3S MES A 502 mILE^A 201 74.74 80.77 83.57 74.39 80.34 84.40 75.64 83.00 83.18 76.55 82.83 83.97 74.39 82.11 83.19 73.31 82.64 84.22 3 0 15.81-999 ?-999 ?-999 ? O3S MES A 502 mVAL^A 202 75.67 83.93 82.24 74.91 83.88 81.60 76.18 86.23 82.65 75.15 86.68 82.18 76.75 84.93 82.16 77.25 85.11 80.74 3 0 18.25-999 ?-999 ?-999 ? O3S MES A 502 mSER.A 203 76.85 86.83 83.63 77.73 86.40 83.87 76.48 89.22 83.43 77.41 89.31 82.62 76.33 88.00 84.28 77.02 88.24 85.62 2 0 17.81-999 ?-999 ?-999 ? O3S MES A 502 mSER.A 204 75.52 90.11 83.61 74.68 89.70 83.98 75.11 91.89 81.93 74.76 91.06 81.08 75.64 91.52 83.32 77.06 92.01 83.75 2 0 18.44-999 ?-999 ?-999 ? O3S MES A 502 mSER.B 0 42.32 52.95 88.09 41.71 52.91 88.88 43.24 51.64 86.23 43.44 50.62 86.90 43.24 53.00 86.91 44.67 53.42 87.32 2 0 21.11-999 ?-999 ?-999 ? C6 MES B 503 mLYS.B 1 43.02 51.62 84.91 42.82 52.51 84.50 44.52 49.91 83.94 45.46 50.71 83.88 43.09 50.35 84.18 42.36 50.40 82.84 2 0 18.81-999 ?-999 ?-999 ? C6 MES B 503 mLEU.B 2 44.69 48.60 83.85 43.92 48.06 84.19 46.19 48.40 81.90 45.39 48.92 81.22 45.90 48.02 83.32 45.92 46.51 83.49 3 0 17.57-999 ?-999 ?-999 ? C6 MES B 503 mLEU.B 3 47.41 48.15 81.51 47.97 47.72 82.21 47.66 47.37 79.18 47.45 46.22 79.58 47.86 48.50 80.16 49.34 48.86 80.18 3 0 14.05-999 ?-999 ?-999 ? C6 MES B 503 mGLY^B 4 47.69 47.68 77.89 47.58 48.66 77.71 49.15 46.96 76.07 49.89 47.91 76.35 47.88 46.68 76.85-999.99-999.99-999.99 1 0 11.88-999 ?-999 ?-999 ? C6 MES B 503 mVAL^B 5 49.40 46.15 75.05 48.76 45.38 74.96 49.99 46.48 72.74 49.36 45.56 72.22 50.53 46.37 74.16 51.63 45.25 74.17 3 0 9.64-999 ?-999 ?-999 ? O1 MES B 503 mASN.B 6 50.26 47.59 72.09 50.68 48.29 72.66 50.93 46.91 69.82 52.09 46.73 70.16 49.96 47.76 70.68 50.07 49.24 70.37 2 0 -6.09-999 ?-999 ?-999 ? O1 MES B 503s mSER~B 7 50.44 46.37 68.72 49.45 46.51 68.61 52.56 46.30 67.39 53.53 45.63 67.13 51.26 45.62 67.78 50.49 45.35 66.48 2 0 6.41-999 ?-999 ?-999 ? O1 MES B 503 mPHE~B 8 52.57 47.64 67.33 51.69 48.07 67.56 54.96 47.98 67.81 56.06 47.82 67.29 53.78 48.40 66.96 53.55 49.92 67.08 3 0 -4.63-999 ?-999 ?-999 ? O1 MES B 503s mALA~B 9 54.74 47.79 69.12 53.78 47.89 69.38 56.37 46.05 69.99 57.39 45.75 70.65 55.78 47.47 70.07 55.28 47.76 71.51 2 0 7.69-999 ?-999 ?-999 ? O1 MES B 503 mLEU~B 10 55.74 45.19 69.21 54.98 45.58 68.69 57.49 43.63 68.47 58.23 42.71 68.79 56.14 43.77 69.14 55.08 42.93 68.41 3 0 10.12-999 ?-999 ?-999 ? O1 MES B 503 mARG~B 11 57.77 44.56 67.55 56.97 45.12 67.36 60.30 44.84 67.85 61.42 44.53 67.47 59.08 44.77 66.88 59.04 46.13 66.15 2 0 10.93-999 ?-999 ?-999 ? O1 MES B 503 mGLN~B 12 60.06 45.26 69.08 59.10 45.45 69.29 61.61 44.13 70.69 62.61 44.13 71.44 61.14 45.42 70.04 60.78 46.48 71.11 2 0 12.79-999 ?-999 ?-999 ? O1 MES B 503 mPHE~B 13 60.96 43.05 70.37 60.29 43.18 69.64 61.88 40.86 70.02 62.09 39.71 70.29 61.20 41.80 71.01 59.90 41.22 71.62 3 0 15.25-999 ?-999 ?-999 ? O1 MES B 503 mVAL~B 14 62.25 41.41 68.88 61.88 42.32 68.73 64.51 41.32 67.89 64.66 42.48 67.65 63.13 40.73 67.94 62.58 40.71 66.53 3 0 16.71-999 ?-999 ?-999 ? O1 MES B 503 mGLU.B 15 65.51 40.51 68.19 65.22 39.68 68.67 67.21 41.36 66.49 66.79 40.89 65.48 66.88 40.80 67.86 67.83 39.69 68.26 2 0 19.34-999 ?-999 ?-999 ? C3 MES B 503 mGLY.B 16 67.96 42.44 66.52 68.43 42.59 67.40 67.39 44.63 65.46 67.58 45.41 64.55 68.11 43.32 65.41-999.99-999.99-999.99 1 0 18.25-999 ?-999 ?-999 ? O1S MES B 503 mTYR.B 17 66.56 44.84 66.46 66.54 44.12 67.15 66.70 47.19 66.63 67.66 47.11 67.30 65.73 46.03 66.53 64.72 45.98 67.69 3 0 14.62-999 ?-999 ?-999 ? O1S MES B 503 mARG.B 18 66.45 48.23 65.88 65.66 48.13 65.28 66.82 50.34 67.03 66.13 51.28 66.82 67.25 49.41 65.93 67.36 50.07 64.56 2 0 13.51-999 ?-999 ?-999 ? O1S MES B 503 mGLY.B 19 67.28 50.02 68.21 67.88 49.22 68.18 66.90 49.72 70.56 67.64 48.72 70.56 66.96 50.73 69.43-999.99-999.99-999.99 1 0 12.91-999 ?-999 ?-999 ? O1S MES B 503 mSER.B 20 65.99 49.96 71.51 65.38 50.72 71.29 65.29 47.78 72.52 64.06 47.61 72.39 65.89 49.18 72.75 65.14 49.97 73.82 2 0 14.06-999 ?-999 ?-999 ? O1S MES B 503 mTYR.B 21 66.17 46.80 72.43 67.12 47.11 72.48 65.51 44.86 73.66 66.34 44.98 74.54 65.80 45.42 72.27 66.96 44.65 71.63 3 0 16.23-999 ?-999 ?-999 ? O1S MES B 503 mILE.B 22 64.33 44.28 73.84 63.74 44.31 73.04 64.12 42.12 74.94 63.33 41.47 74.25 63.93 43.64 75.10 62.41 43.94 75.46 3 0 17.78-999 ?-999 ?-999 ? O1S MES B 503 mPRO.B 23 65.16 41.54 75.58 65.61 42.15 76.23 64.93 39.19 76.37 64.29 39.68 77.31 65.59 40.15 75.36 67.09 40.24 75.65 3 0 20.98-999 ?-999 ?-999 ? O1 MES B 503 mARG.B 24 65.07 37.88 76.17 65.40 37.65 75.26 63.28 36.70 77.57 62.96 35.89 78.45 64.77 36.88 77.21 65.54 37.19 78.50 2 0 23.26-999 ?-999 ?-999 ? O1 MES B 503 mMETB 25 62.39 37.43 76.90 62.76 37.92 76.11 59.99 37.70 76.18 60.27 38.41 75.20 60.99 37.49 77.30 60.81 38.69 78.17 2 0 20.82-999 ?-999 ?-999 ? O1 MES B 503 mSER~B 26 58.80 37.16 76.37 58.73 36.52 77.13 57.07 38.90 75.80 57.13 39.37 76.92 57.69 37.52 75.47 56.60 36.46 75.42 2 0 18.39-999 ?-999 ?-999 ? O1 MES B 503 mPRO~B 27 56.44 39.52 74.79 56.48 39.07 73.90 54.67 40.63 76.14 54.51 41.55 76.92 55.75 40.79 75.06 55.15 41.19 73.69 3 0 15.00-999 ?-999 ?-999 ? O1 MES B 503 mTYR~B 28 53.98 39.47 76.19 54.21 38.83 75.45 53.58 39.16 78.63 53.00 39.74 79.56 52.99 39.16 77.22 52.30 37.81 76.96 3 0 16.92-999 ?-999 ?-999 ? O1 MES B 503 mGLU~B 29 54.70 38.45 78.79 54.99 37.98 77.95 55.94 39.76 80.45 55.81 40.15 81.62 55.44 38.38 80.04 56.57 37.36 79.86 2 0 19.85-999 ?-999 ?-999 ? O1 MES B 503 mPHE~B 30 56.46 40.51 79.49 56.63 40.04 78.62 55.56 42.71 80.24 55.73 43.42 81.20 56.76 41.92 79.69 57.31 42.55 78.41 3 0 17.78-999 ?-999 ?-999 ? O1 MES B 503 mLEU~B 31 54.39 42.62 79.61 54.44 42.01 78.81 52.67 42.89 81.39 52.25 43.73 82.19 53.15 43.33 80.02 52.02 43.15 78.99 3 0 16.32-999 ?-999 ?-999 ? C6 MES B 503 mARG~B 32 52.68 41.56 81.64 52.87 41.00 80.83 53.25 41.69 84.07 52.67 42.05 85.10 52.44 40.99 82.97 52.70 39.47 83.03 2 0 19.96-999 ?-999 ?-999 ? C6 MES B 503 mASN~B 33 54.56 41.89 83.85 54.87 41.55 82.97 55.24 44.07 84.94 55.32 44.64 86.02 55.47 42.55 84.82 56.94 42.21 84.50 2 0 21.14-999 ?-999 ?-999 ? C6 MES B 503 mVAL~B 34 54.95 44.74 83.84 54.97 44.18 83.01 53.34 46.42 84.66 53.27 47.33 85.50 54.64 46.17 83.89 54.59 46.76 82.50 3 0 18.57-999 ?-999 ?-999 ? C6 MES B 503 mASN~B 35 52.32 45.62 84.39 52.50 44.90 83.72 51.10 45.50 86.56 50.41 46.12 87.36 51.04 45.82 85.05 50.00 44.96 84.36 2 0 19.32-999 ?-999 ?-999 ? C6 MES B 503 mASN~B 36 51.93 44.54 86.92 52.38 44.08 86.15 52.93 45.30 89.02 52.58 45.61 90.15 52.16 44.19 88.30 52.82 42.79 88.40 2 0 23.00-999 ?-999 ?-999 ? C6 MES B 503 mTYR~B 37 53.92 45.91 88.36 54.16 45.43 87.51 53.62 48.33 89.05 53.76 49.00 90.04 54.58 47.16 88.82 55.75 47.60 87.88 3 0 22.85-999 ?-999 ?-999 ? C6 MES B 503 mILE~B 38 52.69 48.58 88.11 52.80 48.02 87.30 50.74 49.29 89.53 50.55 50.16 90.38 51.61 49.58 88.26 50.78 49.69 86.94 3 0 21.47-999 ?-999 ?-999 ? C6 MES B 503 mILE~B 39 50.26 48.06 89.65 50.48 47.49 88.85 50.19 47.88 92.15 49.62 48.44 93.08 49.47 47.59 90.84 49.15 46.03 90.71 3 0 24.37-999 ?-999 ?-999 ? C6 MES B 503 mGLU~B 40 51.45 47.49 92.20 51.78 47.14 91.32 52.87 48.93 93.73 53.06 49.23 94.90 52.29 47.56 93.40 53.42 46.52 93.30 2 0 22.90-999 ?-999 ?-999 ? C2 MES C 504 mASN~B 41 53.12 49.76 92.72 52.77 49.44 91.84 53.12 52.28 92.50 53.47 53.35 92.94 53.85 51.01 92.89 55.20 50.89 92.15 2 0 20.57-999 ?-999 ?-999 ? C2 MES C 504 mASN.B 42 52.14 52.15 91.61 52.02 51.22 91.27 52.18 54.45 90.70 52.19 55.53 91.29 51.33 53.28 91.19 50.37 53.69 92.33 2 0 22.33-999 ?-999 ?-999 ? C2 MES C 504 mPRO.B 43 52.93 54.24 89.60 52.87 53.34 89.17 53.02 56.49 88.50 51.84 56.36 88.14 53.77 55.33 89.14 54.73 54.65 88.16 3 0 21.97-999 ?-999 ?-999 ? C2 MES C 504 mTHR.B 44 53.70 57.63 88.45 54.64 57.59 88.80 52.99 58.69 86.41 53.98 58.33 85.73 53.10 58.82 87.93 53.88 60.12 88.30 2 0 21.40-999 ?-999 ?-999 ? C5 MES B 503 mLEU.B 45 51.80 58.88 85.91 51.06 58.78 86.58 52.12 60.53 84.10 51.68 61.55 84.52 51.56 59.20 84.54 50.09 59.14 84.27 3 0 18.19-999 ?-999 ?-999 ? C5 MES B 503 mVAL^B 46 53.09 60.50 83.21 53.34 59.58 82.91 53.21 62.04 81.37 53.22 61.20 80.49 53.72 61.72 82.75 55.30 61.60 82.76 3 0 16.59-999 ?-999 ?-999 ? O2S MES B 503 mASP^B 47 52.76 63.26 81.16 52.75 63.86 81.97 53.46 63.73 78.77 54.57 64.17 79.06 52.32 63.65 79.82 51.50 64.94 79.86 2 0 14.43-999 ?-999 ?-999 ? O2S MES B 503 mGLY.B 48 53.17 63.27 77.56 52.25 62.89 77.48 53.89 64.49 75.53 53.27 65.46 75.90 54.13 63.33 76.47-999.99-999.99-999.99 1 0 11.13-999 ?-999 ?-999 ? O2S MES B 503 mTYR.B 49 54.37 64.37 74.31 54.77 63.48 74.10 52.88 65.89 72.87 52.76 66.94 72.27 54.30 65.45 73.35 55.23 65.12 72.16 3 0 9.85-999 ?-999 ?-999 ? O2S MES B 503 mALA.B 50 51.85 65.09 73.13 52.10 64.27 73.64 49.51 64.82 73.75 49.95 64.01 74.58 50.47 65.40 72.70 50.21 64.77 71.31 2 0 10.06-999 ?-999 ?-999 ? O2S MES B 503 mASP.B 51 48.22 65.23 73.71 48.05 65.92 73.00 46.97 63.21 74.67 46.56 62.69 75.71 47.17 64.72 74.62 45.80 65.46 74.52 2 0 12.43-999 ?-999 ?-999 ? O2S MES B 503 mPHE.B 52 47.30 62.52 73.58 47.72 63.10 72.87 48.32 60.22 73.82 48.35 58.98 73.67 47.09 61.08 73.41 46.68 60.77 71.95 3 0 10.21-999 ?-999 ?-999 ? O2S MES B 503 mCYH^B 53 49.34 60.89 74.33 49.14 61.85 74.54 51.02 60.48 76.02 51.10 61.63 76.47 50.61 60.25 74.57 51.70 60.76 73.58 2 0 8.99-999 ?-999 ?-999 ? O2S MES B 503 mLYS^B 54 51.25 59.39 76.76 51.04 58.53 76.29 53.01 58.64 78.29 53.36 57.89 77.42 51.76 59.47 78.13 50.72 59.02 79.16 2 0 11.91-999 ?-999 ?-999 ? O2S MES B 503 mHIS^B 55 53.68 58.78 79.43 53.28 59.47 80.04 54.77 57.51 81.18 54.24 58.21 82.06 54.87 58.00 79.76 56.14 58.88 79.69 3 0 13.28-999 ?-999 ?-999 ? O2S MES B 503 mILE^B 56 55.24 56.29 81.43 55.30 55.68 80.64 57.11 55.49 82.80 57.59 54.82 81.88 55.64 55.93 82.78 54.67 54.93 83.52 3 0 16.24-999 ?-999 ?-999 ? C5 MES B 503 mPHE^B 57 57.82 55.89 83.86 57.28 56.39 84.53 59.45 54.57 85.08 58.97 54.72 86.17 59.27 55.62 83.99 60.04 56.94 84.27 3 0 17.93-999 ?-999 ?-999 ? O1S MES B 503 mILE^B 58 60.13 53.49 84.75 60.61 53.55 83.88 61.53 51.73 85.71 62.28 51.72 84.73 60.14 52.32 85.60 59.04 51.32 85.10 3 0 20.18-999 ?-999 ?-999 ? O1S MES B 503 mPRO^B 59 61.92 51.27 86.92 61.30 51.50 87.67 63.20 49.41 86.02 62.21 48.67 85.83 63.16 50.51 87.07 63.02 49.85 88.47 3 0 22.70-999 ?-999 ?-999 ? C2 MES C 504 mASN.B 60 64.34 49.30 85.33 65.03 49.98 85.56 64.56 46.85 84.93 65.51 46.51 85.61 64.52 48.28 84.32 65.79 48.53 83.49 2 0 21.65-999 ?-999 ?-999 ? O1S MES B 503 mPHE.B 61 63.52 46.06 84.73 62.78 46.48 84.20 63.93 43.67 84.22 63.93 42.49 84.49 63.49 44.67 85.26 62.10 44.26 85.77 3 0 23.48-999 ?-999 ?-999 ? C5 MES B 503 mTHR.B 62 64.24 44.13 83.01 64.10 45.12 82.90 66.26 43.41 81.76 66.91 44.23 82.42 64.74 43.24 81.95 64.06 43.52 80.61 2 0 22.40-999 ?-999 ?-999 ? C5 MES B 503 mGLU.B 63 66.84 42.63 80.86 66.21 41.97 80.45 68.53 43.84 79.44 69.65 44.04 79.05 68.27 42.76 80.52 68.83 41.39 80.08 2 0 23.48-999 ?-999 ?-999 ? O1S MES B 503 mALA.B 64 67.47 44.51 78.98 66.61 44.24 79.41 68.64 46.58 78.23 68.72 47.15 79.33 67.54 45.54 77.96 66.17 46.21 77.84 2 0 19.91-999 ?-999 ?-999 ? O1S MES B 503 mLYS.B 65 69.52 46.79 77.25 69.29 46.33 76.39 70.49 49.06 77.00 69.58 49.35 76.22 70.71 47.63 77.45 71.91 47.02 76.70 2 0 20.59-999 ?-999 ?-999 ? O1S MES B 503 mGLN.B 66 71.33 49.95 77.51 71.88 49.58 78.26 71.46 51.33 75.49 72.25 50.63 74.88 71.43 51.32 77.03 72.67 51.99 77.64 2 0 19.50-999 ?-999 ?-999 ? O1S MES B 503 mSER.B 67 70.57 52.09 74.88 70.03 52.69 75.47 70.71 53.33 72.68 70.57 53.37 71.45 70.42 52.02 73.44 69.00 51.60 73.15 2 0 16.71-999 ?-999 ?-999 ? O1S MES B 503 mILE^B 68 71.09 54.38 73.43 71.01 54.21 74.41 72.92 56.06 73.38 73.14 56.15 74.52 71.57 55.66 72.89 70.61 56.83 73.13 3 0 16.81-999 ?-999 ?-999 ? O1S MES B 503 mVAL^B 69 73.82 56.33 72.49 73.49 56.21 71.55 75.42 58.20 72.36 75.07 58.53 71.28 75.15 56.76 72.83 76.12 55.84 72.14 3 0 20.09-999 ?-999 ?-999 ? O1S MES B 503 mLYS^B 70 76.08 59.02 73.14 76.16 58.68 74.08 77.71 60.22 71.56 78.60 59.48 71.68 76.64 60.30 72.68 77.20 61.04 73.86 2 0 21.71-999 ?-999 ?-999 ? O1S MES B 503 mILE.B 71 77.58 60.99 70.48 76.77 61.58 70.51 79.73 61.85 69.73 79.54 62.92 70.27 78.54 60.97 69.36 77.88 61.45 68.02 3 0 22.95-999 ?-999 ?-999 ? O1S MES B 503 mTHR.B 72 80.95 61.38 69.46 80.94 60.49 69.01 83.08 62.14 68.61 82.78 61.52 67.59 82.17 62.10 69.81 82.94 61.40 70.94 2 0 26.75-999 ?-999 ?-999 ? O1S MES B 503 mASN.B 73 84.19 62.87 68.73 84.27 63.34 69.60 85.81 61.59 67.31 86.09 61.34 66.14 85.19 62.95 67.67 86.28 63.96 68.06 2 0 29.69-999 ?-999 ?-999 ? O1S MES B 503 mGLU.B 74 85.96 60.73 68.32 85.60 61.07 69.18 85.68 58.16 68.31 86.15 57.06 68.60 86.60 59.40 68.17 87.81 59.29 69.12 2 0 30.62-999 ?-999 ?-999 ? O1S MES B 503 mASN~B 75 84.38 58.36 68.11 84.12 59.32 68.19 82.60 57.49 66.52 81.90 56.61 66.07 83.42 57.25 67.80 82.50 56.81 68.98 2 0 27.34-999 ?-999 ?-999 ? O1S MES B 503 mGLU~B 76 82.74 58.70 65.98 83.38 59.26 66.50 82.26 58.27 63.57 81.33 58.08 62.78 82.07 59.20 64.78 82.71 60.56 64.53 2 0 26.08-999 ?-999 ?-999 ? O1S MES B 503 mLYS~B 77 83.47 57.70 63.46 84.09 57.97 64.19 83.06 55.47 62.37 83.11 54.69 61.41 83.85 56.79 62.38 85.35 56.50 62.48 2 0 28.02-999 ?-999 ?-999 ? O1S MES B 503 mTYR~B 78 82.34 55.22 63.45 82.32 55.96 64.13 80.18 54.08 63.20 79.50 53.07 63.16 81.64 53.97 63.61 81.80 53.45 65.03 3 0 25.85-999 ?-999 ?-999 ? O1S MES B 503 mILE~B 79 79.74 55.30 62.87 80.43 56.01 62.93 78.07 54.83 61.12 78.86 54.93 60.18 78.36 55.56 62.44 78.12 57.13 62.28 3 0 22.63-999 ?-999 ?-999 ? O1S MES B 503 mLYS^B 80 76.97 54.07 61.08 76.55 53.93 61.98 75.21 54.33 59.40 74.48 54.81 60.27 76.44 53.51 59.81 76.05 52.04 60.01 2 0 21.65-999 ?-999 ?-999 ? O1S MES B 503 mTHR^B 81 75.02 54.52 58.10 75.75 54.13 57.54 73.08 54.36 56.57 73.67 53.44 56.02 73.84 55.26 57.56 74.23 56.56 56.83 2 0 19.88-999 ?-999 ?-999 ? O1S MES B 503 mGLY^B 82 71.80 54.66 56.32 71.45 55.40 56.90 69.48 54.28 55.38 69.01 54.85 56.34 70.97 53.97 55.31-999.99-999.99-999.99 1 0 18.79-999 ?-999 ?-999 ? O1S MES B 503 mTYR^B 83 68.74 53.87 54.35 69.28 53.42 53.64 66.56 52.83 54.78 66.63 51.78 54.16 67.27 54.03 54.25 66.84 54.26 52.78 3 0 16.49-999 ?-999 ?-999 ? O3S MES B 503 mILE^B 84 65.89 52.99 55.92 65.80 53.95 56.16 63.91 52.24 57.08 63.61 53.41 57.42 65.34 51.89 56.73 66.12 51.80 58.08 3 0 14.19-999 ?-999 ?-999 ? O3S MES B 503 mSER.B 85 63.01 51.26 56.96 63.37 50.42 56.57 61.37 50.89 58.75 61.94 49.84 59.09 61.62 51.46 57.38 60.64 50.83 56.39 2 0 11.46-999 ?-999 ?-999 ? O3S MES B 503 mARG.B 86 60.54 51.56 59.54 60.23 52.44 59.17 59.26 49.81 60.70 59.27 48.93 61.56 60.14 51.05 60.85 59.40 52.12 61.64 2 0 -8.99-999 ?-999 ?-999 ? C3 MES B 503s mARG.B 87 58.51 49.74 59.61 58.53 50.57 59.04 57.38 48.52 57.79 57.51 49.52 57.09 57.73 48.56 59.28 56.46 48.51 60.12 2 0 -8.97-999 ?-999 ?-999 ? C3 MES B 503s mASP.B 88 56.95 47.35 57.33 56.81 46.65 58.03 55.66 48.13 55.38 55.73 48.56 54.22 56.70 47.15 55.90 56.24 45.71 55.65 2 0 11.57-999 ?-999 ?-999 ? C3 MES B 503 mGLU.B 89 54.71 48.49 56.22 54.72 47.98 57.09 54.25 50.98 55.73 53.51 51.87 55.26 53.73 49.53 55.89 52.64 49.48 56.95 2 0 9.69-999 ?-999 ?-999 ? C3 MES B 503 mGLU.B 90 55.48 51.22 56.15 55.93 50.43 56.55 57.17 52.60 54.94 57.91 51.69 54.66 56.13 52.49 56.06 56.69 52.86 57.38 2 0 9.52-999 ?-999 ?-999 ? C3 MES B 503 mILE.B 91 57.21 53.73 54.29 56.36 54.25 54.33 59.68 54.15 54.42 59.68 54.50 55.52 58.42 54.15 53.59 58.23 55.39 52.68 3 0 11.86-999 ?-999 ?-999 ? O3S MES B 503 mPRO.B 92 60.77 53.72 53.85 60.61 53.30 52.96 62.63 55.27 54.60 62.30 56.06 53.81 62.07 53.84 54.48 62.93 52.97 53.61 3 0 12.84-999 ?-999 ?-999 ? O3S MES B 503 mVAL^B 93 63.44 55.56 55.59 63.67 54.77 56.16 65.40 56.89 56.15 65.87 55.96 56.65 63.93 56.91 55.83 63.17 57.68 56.97 3 0 12.61-999 ?-999 ?-999 ? O3S MES B 503 mLEU^B 94 66.12 57.95 55.88 65.62 58.70 55.45 67.85 57.94 57.67 67.35 58.67 58.45 67.52 57.98 56.18 68.29 59.03 55.39 3 0 15.26-999 ?-999 ?-999 ? O3S MES B 503 mSER^B 95 68.67 57.01 58.04 69.01 56.40 57.33 70.46 56.72 59.55 71.13 56.30 58.67 69.00 56.90 59.40 68.30 55.76 60.11 2 0 14.66-999 ?-999 ?-999 ? O1S MES B 503 mARG^B 96 70.90 57.07 60.73 70.23 57.59 61.25 72.14 55.99 62.54 71.23 56.15 63.29 72.20 56.74 61.23 73.07 57.99 61.31 2 0 16.89-999 ?-999 ?-999 ? O1S MES B 503 mTRP^B 97 73.13 55.15 62.78 73.83 55.15 62.07 74.61 53.74 64.23 75.50 53.74 63.37 73.19 54.31 63.96 72.11 53.19 63.90 3 0 17.46-999 ?-999 ?-999 ? O1S MES B 503 mPHE.B 98 74.83 53.31 65.45 74.12 53.56 66.12 75.64 51.02 65.63 74.71 50.56 66.29 76.02 52.52 65.76 76.45 52.82 67.20 3 0 20.41-999 ?-999 ?-999 ? O1S MES B 503 mPRO.B 99 76.35 50.26 64.76 77.01 50.75 64.20 76.42 48.05 65.95 77.30 48.44 66.72 76.13 48.82 64.66 77.12 48.40 63.57 3 0 21.70-999 ?-999 ?-999 ? O1S MES B 503 mLYS.B 100 75.73 46.93 66.15 75.09 46.70 65.41 77.35 45.72 67.69 77.70 45.56 68.87 75.89 46.10 67.35 75.04 44.85 67.23 2 0 22.61-999 ?-999 ?-999 ? O1S MES B 503 mSER~B 102 80.20 47.46 66.75 79.28 47.50 66.35 81.62 48.76 68.25 81.00 48.28 69.18 81.10 48.60 66.82 80.38 49.87 66.37 2 0 26.37-999 ?-999 ?-999 ? O1S MES B 503 mPRO~B 103 82.78 49.44 68.42 83.25 49.71 67.58 82.43 50.60 70.72 82.55 50.40 71.93 83.30 49.73 69.77 84.65 50.40 69.50 3 0 28.35-999 ?-999 ?-999 ? O1S MES B 503 mPRO~B 104 81.62 51.58 70.20 81.72 51.78 69.23 79.54 51.39 71.67 78.93 51.77 72.66 80.66 52.28 71.09 80.01 53.35 70.19 3 0 25.43-999 ?-999 ?-999 ? O1S MES B 503 mALA~B 105 79.27 50.24 71.05 79.86 50.06 70.26 78.71 48.17 72.36 77.89 47.53 73.03 78.22 49.34 71.47 77.48 48.79 70.28 2 0 23.95-999 ?-999 ?-999 ? O1S MES B 503 mSER~B 106 80.01 47.90 72.34 80.55 48.54 71.79 80.57 46.88 74.58 80.50 45.88 75.30 80.59 46.74 73.05 82.03 46.52 72.57 2 0 27.37-999 ?-999 ?-999 ? O1S MES B 503 mGLN~B 107 80.65 48.12 75.05 80.67 48.81 74.32 79.34 48.45 77.16 79.22 48.10 78.33 80.71 48.45 76.47 81.43 49.80 76.69 2 0 27.93-999 ?-999 ?-999 ? O1S MES B 503 mLEU.B 108 78.30 48.82 76.43 78.51 48.95 75.46 76.44 47.82 77.85 76.68 46.64 77.55 76.98 49.01 77.02 76.00 49.47 75.94 3 0 24.75-999 ?-999 ?-999 ? O1S MES B 503 mILE.B 109 75.74 48.15 78.91 75.69 49.14 79.06 73.59 47.53 79.96 73.08 48.51 79.42 75.10 47.19 79.79 75.79 47.15 81.19 3 0 25.23-999 ?-999 ?-999 ? O1S MES B 503 mLYS.B 110 72.91 46.70 80.73 73.41 45.86 80.94 71.37 48.44 81.61 72.15 49.01 82.36 71.58 46.96 81.24 71.33 46.08 82.46 2 0 23.68-999 ?-999 ?-999 ? O1S MES B 503 mSER.B 111 70.30 49.04 81.08 69.80 48.48 80.41 69.22 50.42 82.79 68.67 49.42 83.25 69.91 50.40 81.44 68.95 50.98 80.41 2 0 21.46-999 ?-999 ?-999 ? O1S MES B 503 mLYS.B 112 69.22 51.58 83.43 69.66 52.32 82.92 67.12 51.78 84.75 66.48 51.31 85.67 68.64 51.76 84.77 69.13 53.07 85.36 2 0 22.85-999 ?-999 ?-999 ? O1S MES B 503 mTYR^B 113 66.56 52.38 83.72 67.20 52.68 83.01 64.63 52.09 82.29 65.39 51.80 81.37 65.14 52.58 83.63 64.80 54.09 83.77 3 0 19.95-999 ?-999 ?-999 ? O1S MES B 503 mLEU^B 114 63.31 52.01 82.21 62.87 52.05 83.11 61.66 53.13 80.95 61.03 53.48 81.99 62.56 51.87 80.98 61.68 50.62 81.05 3 0 16.76-999 ?-999 ?-999 ? O1S MES B 503 mASP^B 115 61.64 53.83 79.80 62.38 53.61 79.17 59.63 54.05 78.69 59.94 53.52 77.63 60.63 54.83 79.51 61.28 56.03 78.81 2 0 14.05-999 ?-999 ?-999 ? O1S MES B 503 mILE^B 116 58.42 53.89 79.24 58.33 54.31 80.14 56.41 54.24 78.02 55.88 55.06 78.76 57.35 53.18 78.56 56.64 52.20 79.50 3 0 12.74-999 ?-999 ?-999 ? C5 MES B 503 mILE^B 117 56.29 54.26 76.71 56.81 53.53 76.26 54.13 54.67 75.63 54.06 53.62 75.06 55.49 55.25 75.98 56.26 55.79 74.72 3 0 9.70-999 ?-999 ?-999 ? C5 MES B 503 mLEU^B 118 53.08 55.37 76.02 53.34 56.25 76.44 50.94 55.81 74.96 51.11 57.00 75.03 51.70 54.92 75.86 51.01 54.92 77.21 3 0 8.77-999 ?-999 ?-999 ? C5 MES B 503 mTYR^B 119 50.11 55.24 74.11 50.25 54.25 74.03 47.69 55.58 73.81 47.45 54.45 74.17 49.10 55.98 73.36 49.23 55.73 71.85 3 0 -7.05-999 ?-999 ?-999 ? C5 MES B 503s mSER^B 120 46.79 56.53 73.76 47.16 57.42 73.50 44.78 55.32 73.10 45.12 55.29 71.91 45.39 56.32 74.06 44.62 57.66 74.03 2 0 9.29-999 ?-999 ?-999 ? C6 MES B 503 mLYS~B 121 43.88 54.50 73.63 43.74 54.59 74.61 42.57 54.28 71.58 42.50 53.70 70.50 43.17 53.55 72.79 42.19 52.70 73.63 2 0 9.31-999 ?-999 ?-999 ? C6 MES B 503 mGLU~B 122 42.26 55.56 71.76 42.50 55.93 72.66 42.57 56.79 69.61 42.25 56.68 68.44 41.62 56.34 70.71 40.74 57.47 71.29 2 0 10.19-999 ?-999 ?-999 ? C6 MES B 503 mGLN~B 123 43.76 57.26 69.98 43.84 57.47 70.95 45.22 56.15 68.25 45.50 56.23 67.08 44.84 57.43 69.01 46.09 58.00 69.70 2 0 7.49-999 ?-999 ?-999 ? C6 MES B 503 mCYH~B 124 45.28 55.00 68.92 45.07 55.07 69.89 44.57 53.36 67.21 44.91 52.95 66.11 45.62 53.75 68.26 45.85 52.62 69.27 2 0 5.08-999 ?-999 ?-999 ? C6 MES B 503 mGLU~B 125 43.29 53.49 67.57 43.19 53.80 68.51 42.21 54.11 65.45 42.03 53.72 64.32 42.15 53.18 66.65 40.80 53.44 67.34 2 0 8.37-999 ?-999 ?-999 ? C6 MES B 503 mLYS~B 126 42.52 55.37 65.74 42.66 55.52 66.72 43.67 56.09 63.64 43.37 56.22 62.46 42.64 56.42 64.72 42.94 57.77 65.40 2 0 8.92-999 ?-999 ?-999 ? C6 MES B 503 mGLU~B 127 44.86 55.65 64.04 44.96 55.62 65.03 45.58 53.98 62.35 45.96 53.83 61.19 45.90 55.27 63.08 47.25 55.13 63.75 2 0 -6.27-999 ?-999 ?-999 ? C2 MES B 503s mSER~B 128 44.85 53.07 63.02 44.53 53.39 63.92 43.53 51.87 61.36 43.49 51.12 60.38 44.55 51.74 62.49 44.01 50.84 63.62 2 0 6.97-999 ?-999 ?-999 ? C2 MES B 503 mSER~B 129 42.70 52.87 61.52 42.87 53.41 62.35 42.19 53.81 59.33 41.52 53.77 58.29 41.64 53.17 60.60 40.63 54.10 61.33 2 0 10.40-999 ?-999 ?-999 ? C2 MES B 503 mILE~B 130 43.38 54.40 59.42 43.79 54.34 60.33 45.07 54.17 57.55 45.09 54.14 56.32 44.03 55.07 58.27 44.59 56.50 58.67 3 0 10.06-999 ?-999 ?-999 ? C2 MES B 503 mMETB 131 45.85 53.41 58.31 45.70 53.55 59.29 46.20 51.14 57.36 46.75 50.41 56.53 46.83 52.47 57.78 47.93 52.27 58.83 2 0 8.27-999 ?-999 ?-999 ? C2 MES B 503 mASN~B 132 45.03 50.84 57.94 44.75 51.54 58.60 45.01 48.38 58.00 45.35 47.53 57.15 44.25 49.61 57.67 43.71 49.61 56.23 2 0 10.28-999 ?-999 ?-999 ? C2 MES B 503 mCYH.B 133 45.24 48.30 59.28 44.73 48.91 59.88 45.44 46.46 60.64 44.53 46.90 61.38 46.21 47.38 59.71 47.35 48.15 60.35 2 0 8.61-999 ?-999 ?-999 ? C2 MES B 503 mCYH.B 134 45.76 45.17 60.53 46.45 44.96 59.83 46.12 43.20 62.02 46.18 41.98 61.74 45.13 44.17 61.39 43.78 43.60 60.88 2 0 10.62-999 ?-999 ?-999 ? C2 MES B 503 mLEU.B 135 46.86 43.84 62.91 46.64 44.82 62.97 47.17 43.04 65.07 46.39 43.90 65.50 47.88 43.27 63.73 48.95 44.36 63.88 3 0 9.34-999 ?-999 ?-999 ? O1 MES B 503 mGLN.B 136 47.45 41.91 65.71 48.01 41.28 65.18 47.73 42.44 68.12 48.96 42.48 68.15 46.97 41.62 67.06 47.15 40.13 67.32 2 0 10.89-999 ?-999 ?-999 ? O1 MES B 503 mASP.B 137 46.98 43.10 68.98 46.02 43.17 68.71 47.69 42.59 71.28 47.04 41.55 71.23 47.52 43.67 70.21 46.59 44.78 70.69 2 0 9.63-999 ?-999 ?-999 ? O1 MES B 503 mILE^B 138 48.59 42.83 72.23 49.13 43.66 72.09 47.93 42.47 74.57 48.14 43.61 75.00 48.74 41.93 73.38 50.21 41.71 73.78 3 0 12.38-999 ?-999 ?-999 ? O1 MES B 503 mLEU^B 139 47.00 41.67 75.07 46.94 40.77 74.62 46.50 41.23 77.37 46.78 40.05 77.20 46.17 42.08 76.17 44.66 42.05 75.79 3 0 14.66-999 ?-999 ?-999 ? O1 MES B 503 mASP.B 140 46.56 41.87 78.54 46.53 42.87 78.47 45.30 40.46 80.03 44.22 41.01 79.81 46.65 41.20 79.79 46.97 42.22 80.89 2 0 17.72-999 ?-999 ?-999 ? C6 MES B 503 mASP.B 141 45.35 39.21 80.45 46.27 38.81 80.47 43.25 39.32 81.82 42.01 39.19 81.79 44.12 38.52 80.83 44.38 37.08 81.31 2 0 20.84-999 ?-999 ?-999 ? O1 MES B 503 mARG.B 142 43.87 40.17 82.63 44.85 40.27 82.45 42.49 42.17 83.17 41.67 42.76 83.86 43.18 40.89 83.69 44.17 41.14 84.84 2 0 21.77-999 ?-999 ?-999 ? C6 MES B 503 mGLU.B 143 42.81 42.55 81.93 43.42 41.91 81.46 42.15 43.70 79.79 43.12 43.92 79.04 42.32 43.80 81.32 43.27 44.94 81.68 2 0 18.78-999 ?-999 ?-999 ? C6 MES B 503 mLYS.B 144 40.94 43.39 79.31 40.25 43.27 80.03 40.26 44.54 77.16 40.07 44.57 75.94 40.66 43.24 77.86 39.54 42.21 77.57 2 0 17.51-999 ?-999 ?-999 ? C6 MES B 503 mASN.B 145 40.09 45.59 77.95 40.20 45.41 78.92 40.66 47.99 78.03 40.17 48.82 78.79 39.76 46.89 77.42 38.29 47.19 77.71 2 0 16.07-999 ?-999 ?-999 ? C6 MES B 503 mPRO.B 146 41.99 47.99 77.73 42.34 47.27 77.14 42.41 50.42 77.71 41.90 50.44 76.59 42.79 49.08 78.32 44.22 48.75 77.87 3 0 14.16-999 ?-999 ?-999 ? C6 MES B 503 mASP.B 147 42.64 51.50 78.45 42.90 51.29 79.39 43.81 53.34 77.28 43.75 54.29 76.51 42.53 52.85 77.92 42.23 53.85 79.03 2 0 13.45-999 ?-999 ?-999 ? C6 MES B 503 mTRP^B 148 44.95 52.72 77.66 44.74 51.98 78.29 47.05 51.79 76.73 46.92 50.71 77.29 46.34 53.05 77.24 47.26 53.65 78.38 3 0 10.97-999 ?-999 ?-999 ? C6 MES B 503 mTYR^B 149 47.84 51.98 75.69 47.88 52.93 75.38 50.07 51.26 75.01 50.44 52.37 74.64 48.58 50.93 75.06 48.07 50.75 73.64 3 0 8.44-999 ?-999 ?-999 ? C6 MES B 503 mILE^B 150 50.91 50.28 75.33 50.47 49.46 75.68 52.69 50.49 73.66 52.52 49.48 72.94 52.37 50.46 75.15 53.19 49.34 75.89 3 0 8.64-999 ?-999 ?-999 ? C6 MES B 503 mILE^B 151 53.14 51.65 73.16 53.12 52.42 73.80 55.12 51.58 71.59 55.65 51.25 70.51 53.60 51.71 71.75 53.05 52.94 70.96 3 0 5.42-999 ?-999 ?-999 ? C5 MES B 503 mSER^B 152 55.85 51.81 72.68 55.35 51.86 73.55 57.96 51.90 73.94 57.37 52.28 74.94 57.28 51.98 72.57 57.55 53.33 71.87 2 0 7.99-999 ?-999 ?-999 ? C5 MES B 503 mILE^B 153 59.20 51.42 73.98 59.58 51.24 73.07 61.33 51.64 74.97 62.00 51.20 74.04 59.93 51.16 75.23 60.04 49.64 75.58 3 0 11.28-999 ?-999 ?-999 ? O1S MES B 503 mLYS^B 154 61.78 52.58 75.79 61.12 52.87 76.48 63.91 52.66 76.89 63.53 52.97 78.01 63.15 53.10 75.66 63.16 54.63 75.57 2 0 12.28-999 ?-999 ?-999 ? O1S MES B 503 mALA^B 155 64.95 51.88 76.67 65.05 51.61 75.71 66.98 52.52 77.97 67.95 52.65 77.20 65.86 51.47 77.74 66.42 50.05 77.48 2 0 15.96-999 ?-999 ?-999 ? O1S MES B 503 mGLN^B 156 66.83 53.28 79.04 66.13 52.95 79.67 68.10 54.62 80.68 67.56 53.96 81.59 67.64 54.49 79.25 66.84 55.75 78.86 2 0 17.45-999 ?-999 ?-999 ? O1S MES B 503 mASN.B 157 69.08 55.50 80.89 69.45 55.91 80.06 69.04 57.11 82.87 69.42 57.43 83.97 69.55 55.82 82.25 71.08 55.78 82.34 2 0 20.81-999 ?-999 ?-999 ? O1S MES B 503 mGLU.B 158 68.21 57.87 82.18 68.08 57.59 81.23 66.12 58.68 83.12 65.55 57.81 82.46 67.56 59.03 82.84 67.66 60.34 82.03 2 0 20.13-999 ?-999 ?-999 ? O1S MES B 503 mSER.B 159 65.54 59.31 84.14 66.16 59.90 84.65 63.26 60.28 83.90 62.26 60.70 84.52 64.10 59.10 84.43 63.85 58.88 85.93 2 0 19.82-999 ?-999 ?-999 ? O1S MES B 503 mPHE.B 160 63.65 60.82 82.75 64.54 60.52 82.41 62.80 61.52 80.59 63.56 60.71 80.12 62.81 61.80 82.09 63.24 63.25 82.46 3 0 17.71-999 ?-999 ?-999 ? O1S MES B 503 mGLU.B 161 61.93 62.23 79.86 61.40 62.88 80.39 62.96 62.59 77.57 63.21 63.79 77.55 61.78 62.05 78.40 60.48 62.72 77.92 2 0 14.18-999 ?-999 ?-999 ? O1S MES B 503 mVAL.B 162 63.65 61.68 76.88 63.44 60.73 77.10 63.86 62.37 74.56 62.87 61.69 74.25 64.63 62.07 75.88 65.78 60.99 75.76 3 0 13.70-999 ?-999 ?-999 ? O1S MES B 503 mPRO.B 163 64.27 63.41 73.82 65.09 63.88 74.15 63.42 62.70 71.58 64.35 61.93 71.36 63.52 63.79 72.61 64.32 64.93 72.05 3 0 11.78-999 ?-999 ?-999 ? O1S MES B 503 mMETB 164 62.28 62.63 70.92 61.54 63.19 71.29 63.03 62.31 68.58 63.38 63.50 68.49 62.15 61.81 69.75 60.66 61.60 69.41 2 0 8.38-999 ?-999 ?-999 ? O1S MES B 503 mGLU~B 165 63.47 61.38 67.76 63.22 60.45 68.04 63.51 62.66 65.63 62.28 62.63 65.54 64.23 61.67 66.57 64.60 60.35 65.84 2 0 9.34-999 ?-999 ?-999 ? O1S MES B 503 mPRO~B 166 64.29 63.52 64.93 65.26 63.47 65.14 62.82 63.87 62.88 61.75 64.45 62.65 63.74 64.45 63.95 65.01 65.09 63.32 3 0 10.90-999 ?-999 ?-999 ? O1S MES B 503 mILE~B 167 63.19 62.76 62.23 64.10 62.41 62.46 60.95 61.71 61.86 59.95 61.66 61.15 62.29 62.13 61.26 62.83 60.82 60.57 3 0 9.50-999 ?-999 ?-999 ? O1S MES B 503 mTHR~B 168 60.96 61.30 63.13 61.86 61.32 63.56 58.79 62.06 63.78 57.67 61.93 63.35 59.73 60.88 63.79 59.94 60.35 65.27 2 0 -5.87-999 ?-999 ?-999 ? O1S MES B 503s mILE~B 169 59.29 63.22 64.21 60.23 63.16 64.54 58.00 64.80 62.83 56.82 65.17 62.74 58.56 64.46 64.21 59.47 65.62 64.74 3 0 7.90-999 ?-999 ?-999 ? O2S MES B 503 mLEU~B 170 58.85 64.71 61.79 59.77 64.44 62.09 57.46 63.99 59.86 56.52 64.38 59.19 58.50 64.96 60.37 59.72 64.74 59.45 3 0 9.47-999 ?-999 ?-999 ? O3S MES B 503 mARG~B 171 57.66 62.71 60.11 58.52 62.50 60.58 55.28 61.83 60.45 54.24 61.46 59.88 56.65 61.71 59.71 57.23 60.29 59.75 2 0 6.75-999 ?-999 ?-999 ? O3S MES B 503 mASN~B 172 55.31 62.34 61.69 56.23 62.57 62.02 53.20 63.58 61.83 52.02 63.71 62.13 54.10 62.55 62.50 54.51 63.02 63.90 2 0 -5.63-999 ?-999 ?-999 ? O3S MES B 503s mTHR.B 173 53.79 64.32 60.91 54.78 64.15 60.89 52.12 64.58 59.04 51.16 65.20 58.58 53.10 65.27 60.01 54.23 66.04 59.23 2 0 9.26-999 ?-999 ?-999 ? O3S MES B 503 mLEU.B 174 52.38 63.30 58.74 53.16 62.91 59.24 51.03 61.21 58.32 51.69 60.17 58.23 51.59 62.54 57.77 52.39 62.31 56.46 3 0 9.02-999 ?-999 ?-999 ? O3S MES B 503 mILE.B 175 49.82 61.22 58.89 49.37 62.12 58.89 49.25 58.85 58.41 49.46 57.68 58.75 49.23 59.98 59.44 47.73 60.08 59.89 3 0 7.86-999 ?-999 ?-999 ? O3S MES B 503 mGLU.B 176 49.00 59.24 57.18 48.95 60.23 57.04 50.16 57.62 55.74 50.21 56.89 54.81 48.82 58.21 56.16 48.10 58.79 54.94 2 0 10.16-999 ?-999 ?-999 ? O3S MES B 503 mGLU.B 177 51.14 57.90 56.56 50.86 58.46 57.33 53.24 56.67 57.47 54.39 56.46 57.31 52.49 57.44 56.37 53.36 58.58 55.86 2 0 8.34-999 ?-999 ?-999 ? O3S MES B 503 mGLY.B 178 52.58 56.14 58.49 52.51 55.15 58.42 52.68 56.87 60.98 52.90 55.92 61.63 52.01 56.86 59.61-999.99-999.99-999.99 1 0 -5.51-999 ?-999 ?-999 ? O3S MES B 503s mGLY.B 179 53.05 58.03 61.41 53.94 58.00 61.86 51.35 59.21 62.43 50.37 58.49 62.32 52.34 59.25 61.29-999.99-999.99-999.99 1 0 -4.37-999 ?-999 ?-999 ? O3S MES B 503s mSER.B 180 51.60 59.95 63.51 52.51 60.36 63.54 49.57 61.23 64.15 48.45 61.30 64.65 50.59 60.13 64.55 51.25 60.40 65.90 2 0 -4.41-999 ?-999 ?-999 ? O2S MES B 503s mGLY.B 181 49.98 62.05 63.20 50.90 61.85 62.88 49.19 64.43 63.46 48.17 65.04 63.57 49.19 63.14 62.67-999.99-999.99-999.99 1 0 7.86-999 ?-999 ?-999 ? O2S MES B 503 mVAL.B 182 50.30 64.81 64.02 51.01 64.11 64.00 51.12 67.11 63.61 52.01 66.72 62.97 50.48 66.14 64.60 51.39 66.01 65.79 3 0 8.80-999 ?-999 ?-999 ? O2S MES B 503 mPRO.B 183 50.67 68.35 63.49 49.82 68.58 63.96 52.79 69.64 63.33 52.95 69.59 64.54 51.45 69.27 62.68 50.50 70.49 62.49 3 0 11.88-999 ?-999 ?-999 ? O2S MES B 503 mLEU.B 184 53.76 69.97 62.48 53.47 70.00 61.52 55.12 71.48 63.83 54.51 72.51 63.51 55.11 70.25 62.92 56.06 70.39 61.70 3 0 12.47-999 ?-999 ?-999 ? O2S MES B 503 mLYS~B 185 55.75 71.32 64.99 55.99 70.37 65.20 57.58 72.64 65.74 58.38 71.80 66.22 56.07 72.43 65.85 55.62 72.07 67.25 2 0 14.23-999 ?-999 ?-999 ? O2S MES B 503 mARG~B 186 57.96 73.72 65.08 57.20 74.29 64.75 60.26 73.97 66.12 61.36 73.42 66.06 59.37 74.03 64.86 59.54 75.32 64.04 2 0 16.62-999 ?-999 ?-999 ? O2S MES B 503 mGLU~B 187 59.78 74.50 67.25 58.89 74.94 67.13 60.75 72.95 68.98 61.80 72.65 69.51 60.47 74.43 68.54 59.68 75.27 69.57 2 0 17.41-999 ?-999 ?-999 ? O2S MES B 503 mLYS~B 188 59.78 72.07 68.72 58.99 72.47 68.26 60.90 69.94 68.18 61.74 69.16 68.64 59.88 70.64 69.07 58.53 69.91 68.95 2 0 13.81-999 ?-999 ?-999 ? O2S MES B 503 mTYR~B 189 60.82 70.27 66.91 60.03 70.83 66.67 63.23 70.24 66.26 64.11 69.39 66.29 61.79 69.83 65.94 61.38 70.26 64.53 3 0 13.82-999 ?-999 ?-999 ? O2S MES B 503 mLEU~B 190 63.45 71.53 66.54 62.62 72.09 66.55 65.38 71.64 68.12 66.59 71.50 68.19 64.76 72.08 66.80 64.75 73.58 66.56 3 0 17.34-999 ?-999 ?-999 ? O1S MES B 503 mGLU~B 191 64.56 71.40 69.14 63.61 71.64 68.93 65.49 69.38 70.19 66.49 68.95 70.69 65.02 70.83 70.43 63.87 70.89 71.44 2 0 16.89-999 ?-999 ?-999 ? O1S MES B 503 mSER~B 192 64.72 68.65 69.41 63.89 69.14 69.16 66.39 67.20 68.12 67.21 66.32 68.35 65.07 67.29 68.97 63.84 66.66 68.25 2 0 13.84-999 ?-999 ?-999 ? O1S MES B 503 mVAL~B 193 66.57 68.14 67.17 65.77 68.72 67.02 69.03 68.60 67.35 70.11 68.00 67.22 67.82 68.27 66.42 67.72 69.28 65.20 3 0 16.21-999 ?-999 ?-999 ? O1S MES B 503 mGLU~B 194 68.86 69.54 68.27 67.98 70.01 68.24 70.42 68.56 69.97 71.59 68.38 70.11 69.93 69.81 69.24 69.46 70.89 70.23 2 0 19.02-999 ?-999 ?-999 ? O1S MES B 503 mPHE~B 195 69.51 67.72 70.44 68.58 68.07 70.36 70.51 65.42 70.03 71.57 64.85 70.29 69.86 66.40 71.03 68.60 65.75 71.67 3 0 17.25-999 ?-999 ?-999 ? O1S MES B 503 mTRP~B 196 69.86 65.20 68.90 69.11 65.84 68.76 71.39 64.39 67.03 71.90 63.47 66.35 70.22 64.09 67.96 69.00 63.61 67.15 3 0 15.84-999 ?-999 ?-999 ? O1S MES B 503 mLYS~B 197 71.83 65.59 67.06 71.30 66.22 67.63 74.19 65.54 67.09 75.21 65.50 66.52 72.96 65.98 66.35 72.92 67.49 66.08 2 0 19.06-999 ?-999 ?-999 ? O1S MES B 503 mGLU.B 198 74.06 65.11 68.33 73.12 65.15 68.67 75.01 63.31 69.79 75.76 62.96 70.67 75.23 64.64 69.09 75.62 65.74 70.07 2 0 20.73-999 ?-999 ?-999 ? O1S MES B 503 mHIS^B 199 73.97 62.58 69.41 73.43 63.02 68.69 73.17 60.36 68.85 72.68 60.86 67.84 73.64 61.26 69.98 72.54 61.38 71.02 3 0 18.36-999 ?-999 ?-999 ? O1S MES B 503 mALA^B 200 73.35 59.05 68.98 73.84 58.78 69.82 72.41 56.85 68.62 72.91 56.48 69.65 72.88 58.11 67.97 73.97 57.82 66.92 2 0 16.86-999 ?-999 ?-999 ? O1S MES B 503 mILE^B 201 71.44 56.18 68.01 71.09 56.59 67.17 71.94 53.77 68.26 72.75 53.79 67.33 70.97 54.93 68.55 69.48 54.63 68.18 3 0 15.15-999 ?-999 ?-999 ? O1S MES B 503 mVAL.B 202 71.86 52.76 69.11 71.19 52.88 69.84 71.81 50.44 68.45 70.75 50.18 69.00 72.69 51.58 68.96 73.42 51.23 70.30 3 0 17.64-999 ?-999 ?-999 ? O1S MES B 503 mSER.B 203 72.26 49.80 67.37 73.14 50.13 67.02 71.43 47.48 67.61 72.35 47.17 68.36 71.51 48.72 66.75 72.09 48.33 65.40 2 0 17.49-999 ?-999 ?-999 ? O1S MES B 503 mSER.B 204 70.29 46.81 67.50 69.55 47.40 67.17 69.75 45.09 69.26 69.45 46.01 70.01 70.11 45.37 67.81 71.28 44.50 67.32 2 0 18.27-999 ?-999 ?-999 ? O1S MES B 503 mSER.C 0 64.08 61.06 130.30 63.61 61.95 130.33 63.81 58.99 129.49 62.82 58.56 130.04 64.74 59.78 130.25 64.83 59.12 131.63 2 0 21.05-999 ?-999 ?-999 ? C6 MES C 504 mLYS.C 1 64.11 58.79 128.22 63.85 59.53 127.60 66.07 57.87 127.16 66.52 59.00 127.09 64.75 57.59 127.79 63.87 56.79 126.87 2 0 18.95-999 ?-999 ?-999 ? C6 MES C 504 mLEU.C 2 66.73 56.82 126.75 66.38 55.94 127.08 67.39 57.10 124.44 66.23 57.03 124.14 67.85 56.94 125.88 68.75 55.74 126.07 3 0 17.66-999 ?-999 ?-999 ? C6 MES C 504 mLEU.C 3 68.36 57.36 123.58 69.27 57.26 123.97 68.33 56.60 121.26 68.93 55.63 121.60 68.17 57.75 122.21 69.16 58.83 121.86 3 0 14.10-999 ?-999 ?-999 ? C6 MES C 504 mGLY^C 4 67.80 56.74 120.06 67.02 57.36 120.02 69.03 56.81 117.83 69.02 57.98 117.80 68.31 56.06 118.91-999.99-999.99-999.99 1 0 11.69-999 ?-999 ?-999 ? O1 MES C 504 mVAL^C 5 69.63 56.07 116.93 69.76 55.13 117.23 69.10 56.25 114.52 68.82 55.13 114.26 70.07 56.56 115.63 71.45 56.04 115.29 3 0 9.55-999 ?-999 ?-999 ? O1 MES C 504 mASN.C 6 68.57 57.28 113.90 68.76 58.16 114.33 68.76 56.77 111.56 69.92 57.21 111.57 67.80 57.13 112.69 66.96 58.38 112.42 2 0 -6.05-999 ?-999 ?-999 ? O1 MES C 504s mSER~C 7 68.31 55.90 110.62 67.39 55.54 110.80 69.70 56.70 108.66 70.74 56.55 108.05 69.10 55.53 109.45 68.28 54.65 108.50 2 0 6.67-999 ?-999 ?-999 ? O1 MES C 504 mPHE~C 8 69.06 57.87 108.69 68.24 57.85 109.25 70.97 59.44 108.41 71.85 59.72 107.60 69.55 59.05 107.94 68.50 60.18 108.06 3 0 -4.94-999 ?-999 ?-999 ? C2 MES C 504s mALA~C 9 71.20 59.39 109.70 70.38 59.14 110.22 73.67 58.68 110.02 74.84 59.02 110.25 72.51 59.64 110.33 72.32 59.76 111.87 2 0 7.84-999 ?-999 ?-999 ? O1 MES C 504 mLEU~C 10 73.36 57.49 109.52 72.38 57.34 109.41 75.36 56.98 108.07 76.56 56.66 108.13 74.37 56.50 109.15 73.68 55.19 108.77 3 0 10.34-999 ?-999 ?-999 ? O1 MES C 504 mARG~C 11 74.85 57.76 107.11 73.86 57.86 107.20 76.85 59.19 106.59 77.79 59.46 105.83 75.65 58.41 106.05 74.81 59.38 105.22 2 0 10.90-999 ?-999 ?-999 ? C3 MES C 504 mGLN~C 12 76.82 59.60 107.86 76.01 59.33 108.37 79.11 59.56 108.91 80.16 60.10 109.28 77.92 60.40 108.42 77.42 61.36 109.53 2 0 12.73-999 ?-999 ?-999 ? C3 MES C 504 mPHE~C 13 78.96 58.25 108.88 78.05 57.95 108.59 80.80 56.77 108.03 81.64 55.85 108.16 80.06 57.35 109.26 79.54 56.26 110.20 3 0 15.51-999 ?-999 ?-999 ? O1 MES C 504 mVAL~C 14 80.49 57.35 106.86 79.78 58.05 106.95 81.96 58.18 105.12 81.45 59.29 104.91 81.09 57.00 105.57 80.01 56.70 104.46 3 0 16.53-999 ?-999 ?-999 ? C3 MES C 504 mGLU.C 15 83.27 57.94 104.98 83.56 57.04 105.30 83.75 59.28 103.01 83.38 58.41 102.21 84.19 58.93 104.42 85.66 58.46 104.44 2 0 19.19-999 ?-999 ?-999 ? C3 MES C 504 mGLY.C 16 83.81 60.59 102.81 84.33 61.05 103.52 81.99 62.10 102.13 81.46 62.84 101.32 83.25 61.35 101.75-999.99-999.99-999.99 1 0 18.38-999 ?-999 ?-999 ? O3S MES C 504 mTYR.C 17 81.49 61.89 103.35 81.97 61.19 103.88 80.53 64.16 103.62 81.62 64.68 103.86 80.31 62.63 103.83 79.97 62.25 105.30 3 0 14.75-999 ?-999 ?-999 ? O3S MES C 504 mARG.C 18 79.50 64.87 103.14 78.69 64.33 102.91 79.23 67.03 104.23 78.12 67.52 104.39 79.59 66.31 102.96 78.62 66.76 101.88 2 0 13.48-999 ?-999 ?-999 ? O3S MES C 504 mGLY.C 19 80.17 67.09 105.16 81.03 66.65 104.90 80.71 66.99 107.48 81.82 66.54 107.21 79.94 67.74 106.43-999.99-999.99-999.99 1 0 13.13-999 ?-999 ?-999 ? O3S MES C 504 mSER.C 20 80.08 66.85 108.65 79.15 67.19 108.65 80.87 64.72 109.68 79.93 63.96 109.92 80.72 66.25 109.81 79.94 66.59 111.09 2 0 14.22-999 ?-999 ?-999 ? O3S MES C 504 mTYR.C 21 82.08 64.28 109.31 82.75 65.00 109.13 82.82 62.37 110.56 83.76 62.91 111.16 82.36 62.87 109.18 83.41 62.65 108.06 3 0 16.38-999 ?-999 ?-999 ? O3S MES C 504 mILE.C 22 82.11 61.37 111.08 81.28 61.17 110.57 83.46 59.48 111.94 83.03 58.47 111.35 82.53 60.65 112.30 81.33 60.16 113.18 3 0 17.95-999 ?-999 ?-999 ? O3S MES C 504 mPRO.C 23 84.76 59.64 112.25 84.96 60.47 112.77 86.01 57.57 112.84 85.77 57.72 114.05 85.78 58.70 111.85 87.03 59.59 111.78 3 0 21.19-999 ?-999 ?-999 ? O1 MES C 504 mARG.C 24 86.52 56.47 112.28 86.66 56.57 111.30 86.09 55.06 114.32 86.67 55.18 115.40 86.84 55.23 112.99 88.37 55.05 113.10 2 0 22.99-999 ?-999 ?-999 ? O1 MES C 504 mMETC 25 84.78 54.83 114.19 84.49 54.92 113.24 82.54 54.03 114.60 82.14 54.67 113.62 83.83 54.47 115.28 83.57 55.69 116.19 2 0 20.96-999 ?-999 ?-999 ? O1 MES C 504 mSER~C 26 81.88 52.99 115.11 82.33 52.59 115.91 79.47 53.33 115.06 79.57 53.85 116.16 80.62 52.49 114.55 80.41 51.02 114.94 2 0 18.64-999 ?-999 ?-999 ? O1 MES C 504 mPRO~C 27 78.37 53.46 114.29 78.43 53.05 113.38 76.71 53.65 116.19 76.20 54.40 117.01 77.19 54.18 114.82 76.11 53.95 113.75 3 0 15.17-999 ?-999 ?-999 ? O1 MES C 504 mTYR~C 28 76.85 52.35 116.43 77.26 51.83 115.68 77.32 52.23 118.85 76.85 52.65 119.92 76.42 51.76 117.70 76.40 50.21 117.66 3 0 17.10-999 ?-999 ?-999 ? O1 MES C 504 mGLU~C 29 78.62 52.17 118.63 78.87 51.71 117.77 79.40 54.26 119.76 79.60 54.80 120.87 79.58 52.73 119.58 81.03 52.33 119.20 2 0 19.90-999 ?-999 ?-999 ? O1 MES C 504 mPHE~C 30 79.01 54.97 118.70 79.01 54.45 117.85 77.43 56.54 119.78 77.50 57.31 120.74 78.61 56.39 118.83 78.22 57.01 117.48 3 0 17.56-999 ?-999 ?-999 ? O1 MES C 504 mLEU~C 31 76.35 55.80 119.51 76.46 55.22 118.70 75.38 55.42 121.79 74.80 56.01 122.70 75.14 55.84 120.32 74.00 55.00 119.69 3 0 16.20-999 ?-999 ?-999 ? O1 MES C 504 mARG~C 32 76.21 54.41 122.03 76.55 53.97 121.20 77.16 55.17 124.17 76.72 55.47 125.28 76.57 54.01 123.38 77.58 52.86 123.34 2 0 19.88-999 ?-999 ?-999 ? O1 MES C 504 mASN~C 33 78.15 55.83 123.60 78.40 55.49 122.69 77.86 58.13 124.48 77.90 58.77 125.53 78.80 56.96 124.26 80.02 57.42 123.47 2 0 21.17-999 ?-999 ?-999 ? O1 MES C 504 mVAL~C 34 77.01 58.41 123.50 77.09 57.84 122.68 75.06 59.17 124.77 74.81 60.02 125.62 76.04 59.48 123.64 75.30 59.80 122.27 3 0 18.65-999 ?-999 ?-999 ? O1 MES C 504 mASN~C 35 74.51 57.96 124.79 74.75 57.39 124.00 74.30 57.48 127.29 73.68 57.81 128.30 73.64 57.54 125.90 72.93 56.22 125.60 2 0 19.52-999 ?-999 ?-999 ? O1 MES C 504 mASN~C 36 75.56 57.06 127.33 75.92 56.76 126.45 76.56 58.49 129.12 76.50 58.69 130.32 76.33 57.07 128.59 77.67 56.34 128.46 2 0 23.19-999 ?-999 ?-999 ? O1 MES C 504 mTYR~C 37 76.83 59.46 128.23 77.02 59.12 127.31 75.48 61.38 129.14 75.44 62.11 130.12 76.84 60.89 128.59 77.23 61.77 127.40 3 0 23.11-999 ?-999 ?-999 ? C5 MES C 504 mILE~C 38 74.38 60.99 128.51 74.55 60.44 127.69 72.81 60.83 130.44 72.46 61.62 131.35 73.04 61.33 129.00 71.89 60.87 128.05 3 0 21.64-999 ?-999 ?-999 ? C6 MES C 504 mILE~C 39 73.04 59.54 130.66 73.26 59.00 129.85 73.91 59.64 133.05 73.51 59.83 134.20 72.95 59.00 132.01 73.01 57.42 132.08 3 0 24.52-999 ?-999 ?-999 ? C6 MES C 504 mGLU~C 40 75.14 59.97 132.66 75.34 59.78 131.70 75.89 62.02 133.90 76.18 62.44 135.02 76.09 60.55 133.61 77.51 60.34 133.14 2 0 27.13-999 ?-999 ?-999 ? C6 MES C 504 mASN~C 41 75.43 62.79 132.91 74.98 62.29 132.18 74.28 65.05 132.90 74.31 66.26 133.07 75.58 64.25 132.93 76.48 64.67 131.76 2 0 26.27-999 ?-999 ?-999 ? C5 MES C 504 mASN~C 42 73.14 64.39 132.71 73.25 63.39 132.70 71.94 66.36 131.65 71.72 67.47 132.13 71.87 65.09 132.54 71.25 65.41 133.90 2 0 24.65-999 ?-999 ?-999 ? C5 MES C 504 mPRO.C 43 72.24 66.20 130.34 72.40 65.26 130.03 70.96 68.07 129.24 69.90 67.41 129.30 72.32 67.40 129.49 72.92 66.87 128.19 3 0 22.25-999 ?-999 ?-999 ? C5 MES C 504 mTHR.C 44 71.01 69.38 129.00 71.93 69.76 129.09 69.36 69.78 127.24 70.15 69.71 126.30 69.84 70.17 128.64 70.15 71.71 128.75 2 0 21.47-999 ?-999 ?-999 ? C5 MES C 504 mLEU.C 45 68.07 69.51 127.14 67.58 69.53 128.02 66.91 70.56 125.33 65.98 71.18 125.88 67.43 69.22 125.90 66.30 68.23 126.20 3 0 18.15-999 ?-999 ?-999 ? C5 MES C 504 mVAL^C 46 67.51 71.00 124.23 68.18 70.37 123.85 66.24 72.20 122.46 66.42 71.42 121.56 67.21 72.31 123.65 68.53 73.02 123.22 3 0 16.85-999 ?-999 ?-999 ? O1S MES C 504 mASP^C 47 65.19 72.99 122.47 65.09 73.50 123.32 64.99 73.47 119.99 65.86 74.32 119.95 64.29 73.11 121.33 63.24 74.17 121.65 2 0 14.75-999 ?-999 ?-999 ? O1S MES C 504 mGLY.C 48 64.56 72.81 118.92 63.90 72.10 119.13 63.99 73.94 116.79 63.17 74.65 117.40 65.01 73.10 117.56-999.99-999.99-999.99 1 0 11.40-999 ?-999 ?-999 ? O1S MES C 504 mTYR.C 49 64.04 73.85 115.46 64.67 73.16 115.11 61.70 74.41 114.65 60.87 75.20 114.21 63.20 74.73 114.61 63.70 74.80 113.16 3 0 10.24-999 ?-999 ?-999 ? O1S MES C 504 mALA.C 50 61.35 73.26 115.20 62.11 72.76 115.63 59.85 71.90 116.43 60.88 71.50 116.99 59.99 72.77 115.19 59.75 71.93 113.90 2 0 10.30-999 ?-999 ?-999 ? O1S MES C 504 mASP.C 51 58.61 71.60 116.84 57.89 71.93 116.23 58.94 69.41 118.13 59.29 68.86 119.18 58.37 70.85 118.10 56.90 70.93 118.58 2 0 12.54-999 ?-999 ?-999 ? O1S MES C 504 mPHE.C 52 59.07 68.85 116.93 58.81 69.45 116.18 61.08 67.38 116.70 61.63 66.31 116.52 59.54 67.47 116.75 58.90 66.83 115.51 3 0 10.24-999 ?-999 ?-999 ? O1S MES C 504 mCYH^C 53 61.74 68.51 116.86 61.17 69.31 117.06 63.86 69.19 117.97 63.52 70.27 118.38 63.19 68.56 116.74 63.57 69.26 115.43 2 0 9.12-999 ?-999 ?-999 ? O1S MES C 504 mLYS^C 54 64.79 68.44 118.57 64.88 67.53 118.16 67.10 68.79 119.42 67.49 68.11 118.48 65.61 68.93 119.70 65.33 68.18 121.03 2 0 12.06-999 ?-999 ?-999 ? O1S MES C 504 mHIS^C 55 67.92 69.42 120.26 67.44 69.99 120.93 69.87 68.96 121.63 69.27 69.29 122.63 69.35 69.30 120.22 70.01 70.65 119.80 3 0 13.46-999 ?-999 ?-999 ? O3S MES C 504 mILE^C 56 71.02 68.30 121.66 71.26 67.91 120.77 73.26 68.60 122.32 73.66 68.28 121.20 71.89 68.15 122.81 71.91 66.69 123.27 3 0 16.34-999 ?-999 ?-999 ? C5 MES C 504 mPHE^C 57 73.97 69.39 123.13 73.49 69.63 123.98 76.29 69.18 123.70 76.19 69.29 124.91 75.32 69.85 122.78 75.43 71.39 122.90 3 0 17.97-999 ?-999 ?-999 ? O3S MES C 504 mILE^C 58 77.24 68.45 123.14 77.30 68.54 122.15 79.54 67.88 123.61 79.85 68.15 122.44 78.08 67.60 123.95 77.68 66.11 123.78 3 0 20.26-999 ?-999 ?-999 ? O3S MES C 504 mPRO^C 59 80.42 67.85 124.64 80.03 67.84 125.56 82.11 66.73 123.32 81.57 65.63 123.46 81.85 67.83 124.33 82.49 67.52 125.69 3 0 22.86-999 ?-999 ?-999 ? O3S MES C 504 mASN.C 60 82.91 67.02 122.29 83.28 67.94 122.28 84.15 64.92 121.79 85.28 65.22 122.14 83.19 66.01 121.29 83.68 66.65 120.02 2 0 21.72-999 ?-999 ?-999 ? O3S MES C 504 mPHE.C 61 83.66 63.68 121.84 82.71 63.63 121.54 84.96 61.68 121.11 85.60 60.66 121.34 84.42 62.51 122.29 83.56 61.62 123.23 3 0 23.75-999 ?-999 ?-999 ? C5 MES C 504 mTHR.C 62 84.67 62.12 119.89 84.07 62.92 119.91 86.35 62.37 118.12 86.58 63.49 118.62 85.17 61.52 118.64 84.07 61.60 117.51 2 0 22.51-999 ?-999 ?-999 ? O3S MES C 504 mGLU.C 63 87.06 61.90 117.10 86.89 60.94 116.86 87.43 63.66 115.29 88.19 64.36 114.61 88.03 62.79 116.44 89.27 62.04 115.97 2 0 23.66-999 ?-999 ?-999 ? O3S MES C 504 mALA.C 64 86.10 63.62 115.09 85.64 62.95 115.67 85.84 65.94 114.11 85.91 66.60 115.18 85.39 64.48 114.11 83.89 64.40 114.31 2 0 20.09-999 ?-999 ?-999 ? O3S MES C 504 mLYS.C 65 86.17 66.42 112.92 85.95 65.80 112.17 85.77 68.83 112.48 84.65 68.55 112.03 86.80 67.74 112.72 87.71 67.72 111.49 2 0 20.75-999 ?-999 ?-999 ? O3S MES C 504 mGLN.C 66 86.18 70.06 112.76 87.04 70.10 113.27 85.06 71.09 110.88 85.93 70.84 110.05 85.43 71.22 112.37 86.25 72.50 112.70 2 0 19.67-999 ?-999 ?-999 ? O3S MES C 504 mSER.C 67 83.77 71.22 110.56 83.18 71.51 111.32 82.75 72.21 108.45 82.27 72.08 107.31 83.27 70.97 109.22 82.19 69.88 109.28 2 0 16.92-999 ?-999 ?-999 ? O3S MES C 504 mILE^C 68 82.84 73.40 109.05 83.25 73.35 109.97 83.49 75.68 108.47 84.14 75.87 109.49 82.38 74.64 108.44 81.12 75.21 109.16 3 0 17.11-999 ?-999 ?-999 ? O3S MES C 504 mVAL^C 69 83.71 76.37 107.35 83.15 76.08 106.57 84.12 78.76 106.75 83.41 78.75 105.79 84.68 77.46 107.33 86.07 77.02 106.66 3 0 20.39-999 ?-999 ?-999 ? O3S MES C 504 mLYS^C 70 84.43 79.86 107.42 84.87 79.67 108.30 84.80 81.43 105.57 85.98 81.11 105.36 84.17 81.22 106.94 84.79 82.21 107.93 2 0 22.04-999 ?-999 ?-999 ? O3S MES C 504 mILE.C 71 84.01 81.96 104.63 83.08 82.14 104.93 85.04 83.67 103.33 84.41 84.56 103.91 84.50 82.25 103.27 83.36 82.21 102.14 3 0 23.26-999 ?-999 ?-999 ? O3S MES C 504 mTHR.C 72 86.23 83.86 102.73 86.61 83.03 102.32 87.33 85.36 101.26 87.23 84.46 100.42 86.92 85.14 102.69 88.23 85.17 103.49 2 0 27.02-999 ?-999 ?-999 ? O3S MES C 504 mASN.C 73 87.86 86.56 100.99 87.91 87.18 101.77 89.45 86.00 99.13 89.54 85.77 97.93 88.31 86.89 99.65 88.71 88.38 99.52 2 0 29.81-999 ?-999 ?-999 ? O3S MES C 504 mGLU.C 74 90.29 85.48 100.02 90.06 85.71 100.96 91.20 83.12 99.55 92.01 82.39 98.97 91.45 84.64 99.65 92.61 84.90 100.62 2 0 30.84-999 ?-999 ?-999 ? O3S MES C 504 mASN~C 75 90.13 82.63 100.17 89.58 83.30 100.67 88.65 80.86 99.15 88.43 79.68 98.81 89.82 81.20 100.08 89.69 80.54 101.47 2 0 27.62-999 ?-999 ?-999 ? O3S MES C 504 mGLU~C 76 87.93 81.88 98.71 88.23 82.77 99.06 87.18 80.98 96.50 86.39 80.24 95.94 86.80 81.71 97.79 86.15 83.07 97.48 2 0 26.15-999 ?-999 ?-999 ? O3S MES C 504 mLYS~C 77 88.40 81.15 96.04 88.94 81.82 96.55 88.87 78.91 95.03 89.02 78.20 94.03 88.89 80.42 94.88 90.34 80.82 94.55 2 0 28.29-999 ?-999 ?-999 ? O3S MES C 504 mTYR~C 78 88.71 78.40 96.25 88.55 79.09 96.96 87.39 76.33 96.56 87.27 75.13 96.69 88.79 76.96 96.50 89.65 76.66 97.75 3 0 26.11-999 ?-999 ?-999 ? O3S MES C 504 mILE~C 79 86.36 77.16 96.48 86.62 78.12 96.39 84.68 75.76 95.28 85.01 76.11 94.13 84.96 76.67 96.50 83.94 77.89 96.57 3 0 22.87-999 ?-999 ?-999 ? O3S MES C 504 mLYS^C 80 84.12 74.56 95.51 84.13 74.26 96.47 82.02 73.86 94.47 81.44 74.02 95.55 83.53 73.79 94.41 83.99 72.32 94.37 2 0 21.87-999 ?-999 ?-999 ? O3S MES C 504 mTHR^C 81 81.40 73.76 93.29 82.05 73.65 92.54 79.35 72.60 92.31 80.03 71.98 91.48 79.92 73.80 93.10 79.38 75.09 92.36 2 0 20.14-999 ?-999 ?-999 ? O3S MES C 504 mGLY^C 82 78.08 72.27 92.55 77.60 72.85 93.21 76.10 70.78 92.38 75.71 71.23 93.43 77.47 71.15 91.86-999.99-999.99-999.99 1 0 18.76-999 ?-999 ?-999 ? O2S MES C 504 mTYR^C 83 75.39 69.92 91.64 75.82 69.69 90.77 74.25 67.99 92.69 74.50 67.04 92.02 74.10 69.37 92.06 73.09 69.33 90.88 3 0 16.25-999 ?-999 ?-999 ? O2S MES C 504 mILE^C 84 74.14 67.90 94.01 73.96 68.78 94.46 73.00 66.34 95.53 72.30 67.25 95.97 74.27 66.63 94.71 75.59 66.52 95.57 3 0 14.13-999 ?-999 ?-999 ? O2S MES C 504 mSER.C 85 72.69 65.04 95.64 73.25 64.45 95.06 72.17 64.13 97.88 73.30 63.66 97.97 71.62 64.52 96.50 71.01 63.27 95.88 2 0 11.41-999 ?-999 ?-999 ? O2S MES C 504 mARG.C 86 71.35 64.28 98.93 70.48 64.73 98.71 71.69 62.29 100.39 72.42 61.71 101.20 71.71 63.83 100.28 70.77 64.46 101.30 2 0 -8.88-999 ?-999 ?-999 ? C8 MES C 504s mARG.C 87 70.83 61.68 99.57 70.33 62.34 99.00 69.90 59.91 98.15 69.36 60.81 97.46 70.63 60.24 99.47 69.81 59.75 100.65 2 0 9.17-999 ?-999 ?-999 ? C3 MES C 504 mASP.C 88 69.88 58.64 97.79 70.29 58.03 98.47 67.89 58.68 96.16 67.65 58.98 95.01 69.31 58.17 96.53 69.27 56.63 96.47 2 0 11.64-999 ?-999 ?-999 ? C3 MES C 504 mGLU.C 89 66.95 58.74 97.11 67.29 58.54 98.03 65.29 60.57 96.74 64.17 61.00 96.44 65.55 59.08 96.79 64.56 58.44 97.77 2 0 10.43-999 ?-999 ?-999 ? C3 MES C 504 mGLU.C 90 66.32 61.35 97.04 67.14 60.88 97.35 66.66 63.33 95.57 67.68 62.90 95.01 66.21 62.79 96.93 67.04 63.47 98.01 2 0 9.71-999 ?-999 ?-999 ? O2S MES C 504 mILE.C 91 65.92 64.29 95.05 65.01 64.40 95.46 67.74 65.91 94.32 67.91 66.35 95.47 66.44 65.12 93.94 65.36 66.08 93.28 3 0 11.79-999 ?-999 ?-999 ? O2S MES C 504 mPRO.C 92 68.63 66.12 93.33 68.38 65.79 92.42 69.65 68.31 93.74 68.77 68.88 93.07 69.86 66.80 93.64 70.74 66.51 92.41 3 0 12.74-999 ?-999 ?-999 ? O2S MES C 504 mVAL^C 93 70.54 68.96 94.49 71.32 68.42 94.81 71.66 71.10 94.58 72.73 70.51 94.74 70.35 70.35 94.79 69.72 70.42 96.22 3 0 12.25-999 ?-999 ?-999 ? O2S MES C 504 mLEU^C 94 71.61 72.36 94.14 70.67 72.69 94.00 73.53 73.40 95.23 72.90 73.73 96.20 72.84 73.17 93.90 72.53 74.54 93.24 3 0 15.07-999 ?-999 ?-999 ? O2S MES C 504 mSER^C 95 74.83 73.21 95.27 75.27 73.11 94.38 76.88 73.80 96.32 77.31 73.90 95.18 75.54 73.14 96.55 75.71 71.66 97.01 2 0 14.76-999 ?-999 ?-999 ? O3S MES C 504 mARG^C 96 77.52 74.28 97.38 76.98 74.34 98.21 79.63 74.15 98.55 79.02 74.05 99.63 78.90 74.65 97.29 79.06 76.17 97.02 2 0 17.08-999 ?-999 ?-999 ? O3S MES C 504 mTRP^C 97 80.93 73.86 98.39 81.30 74.07 97.48 83.23 73.55 99.24 83.64 73.89 98.13 81.74 73.29 99.48 81.46 71.78 99.58 3 0 17.68-999 ?-999 ?-999 ? O3S MES C 504 mPHE^C 98 84.02 73.39 100.29 83.55 73.41 101.18 85.75 71.72 100.14 85.35 70.95 101.04 85.45 73.22 100.17 86.21 73.87 101.34 3 0 20.64-999 ?-999 ?-999 ? O3S MES C 504 mPRO.C 99 86.43 71.28 99.08 86.54 71.97 98.36 88.02 69.57 100.06 88.77 70.45 100.53 86.95 69.92 98.98 87.54 69.88 97.55 3 0 21.82-999 ?-999 ?-999 ? O3S MES C 504 mLYS.C 100 88.02 68.31 100.45 87.38 67.73 99.95 90.36 68.18 101.37 91.07 68.34 102.37 88.88 67.79 101.51 88.72 66.25 101.54 2 0 22.75-999 ?-999 ?-999 ? O3S MES C 504 mASP.C 101 90.81 68.34 100.12 90.08 68.28 99.44 92.64 70.08 99.86 93.82 70.41 100.08 92.23 68.59 99.78 92.52 68.07 98.36 2 0 26.46-999 ?-999 ?-999 ? O3S MES C 504 mSER~C 102 91.65 70.95 99.68 90.76 70.52 99.57 92.60 72.96 100.88 92.43 72.45 102.00 91.86 72.40 99.64 90.50 73.12 99.44 2 0 26.55-999 ?-999 ?-999 ? O3S MES C 504 mPRO~C 103 93.45 73.99 100.68 93.64 74.19 99.72 93.13 75.18 103.01 93.60 75.05 104.13 94.03 74.74 101.81 94.74 75.92 101.14 3 0 28.61-999 ?-999 ?-999 ? O3S MES C 504 mPRO~C 104 91.89 75.70 102.79 91.71 75.95 101.84 90.62 74.66 104.79 90.29 74.82 105.97 90.91 75.88 103.92 89.63 76.27 103.18 3 0 25.66-999 ?-999 ?-999 ? O3S MES C 504 mALA~C 105 90.76 73.47 104.22 91.09 73.51 103.27 91.67 71.50 105.49 91.53 70.54 106.26 90.45 72.22 104.90 89.64 71.28 103.96 2 0 24.17-999 ?-999 ?-999 ? O3S MES C 504 mSER~C 106 92.87 71.96 105.13 92.85 72.75 104.52 94.46 71.68 107.07 95.16 70.93 107.76 94.11 71.32 105.62 95.28 71.68 104.72 2 0 27.57-999 ?-999 ?-999 ? O3S MES C 504 mGLN~C 107 93.97 72.82 107.52 93.39 73.30 106.86 93.35 72.77 109.97 93.74 72.71 111.14 94.26 73.34 108.86 94.24 74.88 108.84 2 0 28.08-999 ?-999 ?-999 ? O3S MES C 504 mLEU.C 108 92.14 72.36 109.59 92.02 72.35 108.60 91.53 70.79 111.45 92.29 69.90 111.03 91.12 71.95 110.54 89.83 71.60 109.80 3 0 24.91-999 ?-999 ?-999 ? O3S MES C 504 mILE.C 109 91.01 70.83 112.68 90.45 71.63 112.85 89.94 69.38 114.38 88.91 69.98 114.13 91.25 69.79 113.70 92.28 70.26 114.79 3 0 25.39-999 ?-999 ?-999 ? O3S MES C 504 mLYS.C 110 90.02 68.38 115.26 90.91 67.93 115.27 88.08 69.20 116.61 88.63 70.20 117.10 88.91 67.99 116.13 89.44 67.18 117.33 2 0 23.86-999 ?-999 ?-999 ? O3S MES C 504 mSER.C 111 86.77 69.11 116.47 86.45 68.29 116.00 85.71 70.06 118.49 85.93 69.00 119.07 85.89 70.18 116.98 84.54 70.18 116.28 2 0 21.62-999 ?-999 ?-999 ? O3S MES C 504 mLYS.C 112 85.28 71.16 119.12 85.07 71.92 118.51 83.88 70.51 121.05 83.89 69.81 122.09 85.13 71.22 120.58 85.11 72.67 121.06 2 0 23.01-999 ?-999 ?-999 ? O3S MES C 504 mTYR^C 113 82.80 70.69 120.30 82.96 71.25 119.49 80.96 69.31 119.51 81.47 69.41 118.39 81.51 70.11 120.65 80.49 71.19 121.02 3 0 20.13-999 ?-999 ?-999 ? O3S MES C 504 mLEU^C 114 79.92 68.53 119.85 79.86 68.38 120.84 77.57 68.57 119.11 77.13 68.65 120.24 78.95 67.94 118.90 78.86 66.41 119.13 3 0 16.92-999 ?-999 ?-999 ? O3S MES C 504 mASP^C 115 76.92 69.06 118.05 77.49 69.23 117.25 74.76 68.03 117.61 74.92 67.64 116.48 75.47 69.29 118.11 75.01 70.51 117.32 2 0 14.10-999 ?-999 ?-999 ? O3S MES C 504 mILE^C 116 74.02 67.38 118.51 74.01 67.84 119.40 71.86 66.47 118.03 71.21 66.99 118.94 73.32 66.12 118.25 73.52 65.08 119.40 3 0 12.97-999 ?-999 ?-999 ? C5 MES C 504 mILE^C 117 71.38 66.31 116.80 72.02 65.87 116.17 69.14 65.52 116.45 69.41 64.48 115.82 70.05 66.73 116.41 70.04 67.37 115.03 3 0 9.81-999 ?-999 ?-999 ? C5 MES C 504 mLEU^C 118 68.05 65.68 117.21 68.00 66.59 117.61 65.74 64.94 116.74 65.31 66.10 116.70 67.04 64.64 117.45 66.67 64.58 118.95 3 0 8.87-999 ?-999 ?-999 ? C5 MES C 504 mTYR^C 119 65.13 63.89 116.17 65.71 63.08 116.07 62.87 63.02 116.56 63.29 61.93 116.92 63.73 63.96 115.74 63.54 63.58 114.25 3 0 -6.83-999 ?-999 ?-999 ? C6 MES C 504s mSER^C 120 61.64 63.44 116.78 61.44 64.35 116.42 60.46 61.33 116.76 60.56 61.28 115.52 60.66 62.65 117.50 59.33 63.41 117.60 2 0 8.94-999 ?-999 ?-999 ? C6 MES C 504 mLYS~C 121 60.16 60.28 117.51 60.30 60.43 118.49 58.63 59.31 115.90 58.68 58.71 114.82 59.69 59.03 116.98 59.01 58.26 118.10 2 0 9.24-999 ?-999 ?-999 ? C6 MES C 504 mGLU~C 122 57.69 60.20 116.22 57.90 60.66 117.09 56.85 61.06 114.06 56.31 60.65 113.02 56.48 60.50 115.41 55.63 61.60 116.08 2 0 9.83-999 ?-999 ?-999 ? C6 MES C 504 mGLN~C 123 57.74 62.05 114.10 58.01 62.33 115.03 59.07 61.67 112.05 58.94 61.67 110.82 58.28 62.67 112.90 59.18 63.86 113.25 2 0 6.90-999 ?-999 ?-999 ? C6 MES C 504 mCYH~C 124 59.93 60.87 112.66 60.03 61.01 113.65 59.68 58.88 111.17 59.87 58.58 109.99 60.64 59.85 111.88 61.64 59.06 112.71 2 0 4.69-999 ?-999 ?-999 ? C6 MES C 504 mGLU~C 125 58.66 58.41 111.89 58.71 58.69 112.85 56.86 58.26 110.17 56.68 57.68 109.11 57.57 57.58 111.34 56.52 57.28 112.44 2 0 7.98-999 ?-999 ?-999 ? C6 MES C 504 mLYS~C 126 56.44 59.50 110.39 56.66 59.82 111.31 56.49 60.41 108.07 55.93 60.17 107.04 55.72 60.31 109.39 55.43 61.71 109.94 2 0 8.49-999 ?-999 ?-999 ? C6 MES C 504 mGLU~C 127 57.78 60.75 108.12 58.10 60.93 109.05 58.92 59.51 106.23 58.85 59.39 105.00 58.63 60.85 106.92 59.95 61.50 107.26 2 0 -6.02-999 ?-999 ?-999 ? C6 MES C 504s mSER~C 128 59.31 58.52 107.03 59.44 58.79 107.98 58.30 56.58 105.78 58.50 55.79 104.86 59.50 57.16 106.53 59.94 56.22 107.66 2 0 6.50-999 ?-999 ?-999 ? C2 MES C 504 mSER~C 129 57.06 56.95 106.18 57.05 57.59 106.95 55.42 57.25 104.29 54.58 56.82 103.52 55.84 56.44 105.53 54.71 56.21 106.54 2 0 10.17-999 ?-999 ?-999 ? C2 MES C 504 mILE~C 130 56.04 58.42 104.10 56.61 58.68 104.88 57.01 58.86 101.85 56.76 58.83 100.64 55.92 59.22 102.88 55.93 60.75 103.22 3 0 10.13-999 ?-999 ?-999 ? C2 MES C 504 mMETC 131 58.21 58.50 102.31 58.28 58.49 103.31 59.52 56.70 101.11 60.28 56.35 100.21 59.30 58.17 101.41 60.64 58.68 101.91 2 0 8.52-999 ?-999 ?-999 ? C2 MES C 504 mASN~C 132 58.92 55.84 101.90 58.39 56.26 102.63 60.41 53.80 101.93 60.84 52.94 101.19 59.04 54.41 101.69 58.54 54.07 100.32 2 0 10.25-999 ?-999 ?-999 ? C2 MES C 504 mCYS.C 133 61.10 54.25 102.96 60.60 54.87 103.56 62.67 52.44 103.77 61.78 51.90 104.42 62.49 53.84 103.16 63.24 54.85 103.99 2 0 8.34-999 ?-999 ?-999 ? C2 MES C 504 mCYS.C 134 63.85 51.90 103.56 64.48 52.48 103.05 65.61 50.51 104.52 66.36 49.61 104.18 64.17 50.57 104.02 63.98 49.60 102.86 2 0 10.64-999 ?-999 ?-999 ? C2 MES C 504 mLEU.C 135 66.00 51.45 105.37 65.46 52.29 105.34 66.79 50.98 107.71 65.79 51.47 108.20 67.14 51.22 106.25 68.24 52.26 106.11 3 0 9.76-999 ?-999 ?-999 ? C2 MES C 504 mGLN.C 136 67.63 50.18 108.34 68.36 49.86 107.73 68.08 50.93 110.64 69.21 51.37 110.50 67.56 49.78 109.73 68.40 48.50 109.88 2 0 11.25-999 ?-999 ?-999 ? O1 MES C 504 mASP.C 137 67.23 51.40 111.55 66.28 51.16 111.36 68.63 51.51 113.66 68.57 50.33 113.82 67.64 52.19 112.70 66.42 52.64 113.45 2 0 9.76-999 ?-999 ?-999 ? O1 MES C 504 mILE.C 138 69.52 52.26 114.30 69.51 53.22 114.04 69.87 51.89 116.68 69.61 53.04 117.05 70.43 51.65 115.30 71.88 52.21 115.26 3 0 12.45-999 ?-999 ?-999 ? O1 MES C 504 mLEU.C 139 69.70 50.80 117.42 70.02 49.96 116.98 70.10 50.49 119.87 70.93 49.61 119.71 69.09 50.83 118.76 67.88 49.89 118.85 3 0 14.67-999 ?-999 ?-999 ? O1 MES C 504 mASP.C 140 70.01 51.23 120.98 69.40 52.01 120.92 70.12 49.63 122.78 68.91 49.56 122.94 70.77 50.88 122.17 70.80 52.05 123.17 2 0 17.63-999 ?-999 ?-999 ? O1 MES C 504 mASP.C 141 70.93 48.64 123.11 71.88 48.79 122.84 69.59 47.82 125.01 68.69 47.06 125.39 70.44 47.46 123.79 71.62 46.63 124.27 2 0 20.79-999 ?-999 ?-999 ? O1 MES C 504 mARG.C 142 69.90 48.96 125.63 70.67 49.45 125.20 67.88 50.15 126.50 67.10 50.38 127.40 69.21 49.47 126.80 70.06 50.47 127.56 2 0 21.70-999 ?-999 ?-999 ? O1 MES C 504 mGLU.C 143 67.62 50.49 125.23 68.34 50.23 124.59 65.90 50.87 123.41 66.25 51.58 122.45 66.37 51.18 124.85 66.44 52.71 125.10 2 0 18.77-999 ?-999 ?-999 ? O1 MES C 504 mLYS.C 144 65.10 49.82 123.28 64.86 49.38 124.14 63.38 50.17 121.49 62.96 49.98 120.35 64.63 49.38 121.98 64.43 47.86 121.97 2 0 17.41-999 ?-999 ?-999 ? O1 MES C 504 mASN.C 145 62.82 51.06 122.34 63.19 51.01 123.27 61.97 53.51 122.31 61.20 54.07 123.11 61.76 52.02 121.92 60.36 51.54 122.35 2 0 16.07-999 ?-999 ?-999 ? C6 MES C 504 mPRO.C 146 63.01 54.17 121.71 63.53 53.65 121.03 62.21 56.49 121.62 61.51 56.22 120.63 63.31 55.54 122.07 64.61 55.82 121.30 3 0 14.20-999 ?-999 ?-999 ? C6 MES C 504 mASP.C 147 62.05 57.59 122.38 62.63 57.63 123.19 61.69 59.51 120.95 60.94 60.09 120.17 61.09 58.62 122.01 60.64 59.42 123.24 2 0 13.42-999 ?-999 ?-999 ? C6 MES C 504 mTRP^C 148 63.03 59.54 120.93 63.45 58.87 121.53 64.97 59.77 119.42 65.63 58.88 119.99 63.81 60.46 120.10 64.36 61.60 120.94 3 0 10.88-999 ?-999 ?-999 ? C6 MES C 504 mTYR^C 149 65.25 60.24 118.20 64.73 61.05 117.93 67.26 60.64 116.87 66.89 61.76 116.55 66.24 59.63 117.34 65.50 59.03 116.15 3 0 8.57-999 ?-999 ?-999 ? C6 MES C 504 mILE^C 150 68.53 60.25 116.88 68.69 59.38 117.34 69.42 61.05 114.70 69.50 60.00 114.04 69.59 61.04 116.25 70.97 60.51 116.62 3 0 8.87-999 ?-999 ?-999 ? O1 MES C 504 mILE^C 151 69.14 62.22 114.12 68.96 62.97 114.76 70.41 62.99 112.03 70.74 62.77 110.87 69.14 62.34 112.63 67.84 63.03 112.06 3 0 5.75-999 ?-999 ?-999 ? C5 MES C 504 mSER^C 152 71.13 63.75 112.83 70.89 63.69 113.80 73.17 64.88 113.47 72.78 64.98 114.64 72.18 64.61 112.33 71.54 65.91 111.79 2 0 8.07-999 ?-999 ?-999 ? O3S MES C 504 mILE^C 153 74.46 64.99 113.12 74.63 64.83 112.15 76.35 66.45 113.46 76.90 66.29 112.38 75.53 65.32 114.05 76.44 64.12 114.33 3 0 11.37-999 ?-999 ?-999 ? O3S MES C 504 mLYS^C 154 76.43 67.58 114.14 75.84 67.62 114.95 78.55 68.77 114.61 78.40 68.98 115.80 77.33 68.65 113.68 76.64 70.02 113.59 2 0 12.44-999 ?-999 ?-999 ? O3S MES C 504 mALA^C 155 79.74 68.64 114.02 79.68 68.41 113.04 81.38 70.30 114.60 81.75 70.82 113.53 81.00 68.82 114.67 82.04 67.95 113.97 2 0 16.11-999 ?-999 ?-999 ? O3S MES C 504 mGLN^C 156 81.30 70.99 115.74 81.20 70.42 116.55 82.02 73.00 117.00 82.13 72.31 118.00 81.35 72.46 115.74 79.92 73.08 115.55 2 0 17.58-999 ?-999 ?-999 ? O3S MES C 504 mASN.C 157 82.46 74.25 116.92 82.23 74.71 116.06 82.40 75.75 118.96 82.92 76.18 119.98 83.20 74.88 118.01 84.40 75.65 117.46 2 0 20.97-999 ?-999 ?-999 ? O3S MES C 504 mGLU.C 158 81.15 76.02 118.63 80.89 75.68 117.72 79.23 75.76 120.05 78.99 74.71 119.43 80.26 76.75 119.53 79.60 77.95 118.82 2 0 20.45-999 ?-999 ?-999 ? O3S MES C 504 mSER.C 159 78.66 76.10 121.20 78.93 77.01 121.52 76.29 75.68 121.71 75.45 75.58 122.59 77.74 75.22 121.93 78.05 75.26 123.43 2 0 19.91-999 ?-999 ?-999 ? O3S MES C 504 mPHE.C 160 75.99 76.22 120.54 76.78 76.38 119.94 74.28 76.20 118.75 75.19 75.95 117.94 74.60 76.54 120.21 74.27 78.00 120.47 3 0 17.65-999 ?-999 ?-999 ? O3S MES C 504 mGLU.C 161 72.99 76.15 118.43 72.36 76.32 119.19 73.11 76.90 116.04 72.93 78.11 116.18 72.54 75.88 117.06 71.02 75.81 116.99 2 0 14.14-999 ?-999 ?-999 ? O3S MES C 504 mVAL.C 162 73.82 76.36 115.05 74.08 75.42 115.23 73.01 76.93 112.84 72.40 75.84 112.74 74.21 77.07 113.82 75.45 76.32 113.16 3 0 13.74-999 ?-999 ?-999 ? O3S MES C 504 mPRO.C 163 72.64 78.01 112.11 73.15 78.85 112.30 71.71 76.73 110.12 72.81 76.49 109.61 71.54 77.90 111.12 71.66 79.21 110.35 3 0 12.00-999 ?-999 ?-999 ? O3S MES C 504 mMETC 164 70.61 76.05 109.82 69.82 76.23 110.39 70.84 75.83 107.37 70.53 77.01 107.25 70.65 75.10 108.71 69.44 74.12 108.75 2 0 8.55-999 ?-999 ?-999 ? O3S MES C 504 mGLU~C 165 71.42 75.15 106.38 71.76 74.24 106.63 70.14 76.15 104.49 69.13 75.56 104.86 71.52 75.72 105.04 72.23 74.80 104.07 2 0 9.59-999 ?-999 ?-999 ? O3S MES C 504 mPRO~C 166 70.11 77.26 103.71 70.97 77.76 103.66 68.18 76.60 102.17 66.96 76.52 102.22 68.89 77.68 102.99 69.38 78.85 102.13 3 0 11.06-999 ?-999 ?-999 ? O3S MES C 504 mILE~C 167 68.92 75.75 101.46 69.90 75.91 101.52 67.49 73.73 101.53 66.39 73.32 101.15 68.29 74.70 100.67 69.28 73.95 99.74 3 0 9.33-999 ?-999 ?-999 ? O2S MES C 504 mTHR~C 168 68.03 73.37 102.69 68.95 73.73 102.85 66.03 73.10 104.10 65.09 72.34 104.31 67.35 72.54 103.65 68.21 72.32 104.89 2 0 5.94-999 ?-999 ?-999 ? O2S MES C 504 mILE~C 169 65.96 74.44 104.26 66.81 74.93 104.07 63.66 75.06 103.56 62.47 74.81 103.81 64.72 75.11 104.68 64.95 76.57 105.11 3 0 7.82-999 ?-999 ?-999 ? O2S MES C 504 mLEU~C 170 64.11 75.30 102.32 65.07 75.57 102.28 62.75 73.74 100.92 61.59 73.55 100.62 63.26 75.18 101.15 64.01 75.67 99.93 3 0 9.12-999 ?-999 ?-999 ? O2S MES C 504 mARG~C 171 63.63 72.75 101.04 64.56 73.04 101.26 62.24 70.90 101.96 61.39 70.07 101.71 63.22 71.35 100.87 64.44 70.47 100.82 2 0 6.36-999 ?-999 ?-999 ? O2S MES C 504 mASN~C 172 62.37 71.48 103.16 63.14 72.11 103.23 60.04 71.65 103.99 59.15 71.23 104.68 61.47 71.23 104.28 61.95 71.89 105.56 2 0 -5.44-999 ?-999 ?-999 ? O2S MES C 504s mTHR~C 173 59.81 72.48 102.97 60.64 72.89 102.58 57.81 71.59 101.64 56.58 71.63 101.35 58.44 72.74 102.50 58.27 74.04 101.69 2 0 9.06-999 ?-999 ?-999 ? O2S MES C 504 mLEU~C 174 58.63 70.61 101.22 59.58 70.72 101.51 58.56 68.18 101.11 59.68 67.74 100.96 58.17 69.50 100.43 58.80 69.59 99.03 3 0 8.81-999 ?-999 ?-999 ? O2S MES C 504 mILE~C 175 57.64 67.60 101.87 56.81 68.15 101.95 57.99 65.14 101.54 58.49 64.13 101.86 57.81 66.30 102.52 56.71 65.98 103.57 3 0 7.91-999 ?-999 ?-999 ? O2S MES C 504 mGLU~C 176 57.59 65.36 100.32 57.19 66.26 100.16 59.05 64.35 98.69 59.34 63.46 97.94 57.72 64.38 99.32 56.69 64.61 98.25 2 0 10.03-999 ?-999 ?-999 ? O2S MES C 504 mGLU~C 177 59.86 65.35 98.99 59.50 66.00 99.65 62.43 65.29 99.26 63.50 65.63 98.86 61.15 65.47 98.40 61.16 66.70 97.51 2 0 8.28-999 ?-999 ?-999 ? O2S MES C 504 mGLY~C 178 62.26 64.72 100.45 62.56 63.77 100.51 62.68 65.75 102.66 63.62 64.98 102.88 61.67 65.46 101.56-999.99-999.99-999.99 1 0 5.50-999 ?-999 ?-999 ? O2S MES C 504 mGLY.C 179 62.49 66.87 103.35 63.33 67.33 103.64 60.60 66.79 104.93 60.37 65.59 105.05 61.16 67.36 103.64-999.99-999.99-999.99 1 0 -4.33-999 ?-999 ?-999 ? O2S MES C 504s mSER.C 180 60.38 67.66 105.91 60.46 68.62 105.64 58.59 67.53 107.60 58.13 67.26 108.71 60.05 67.23 107.26 60.97 67.90 108.29 2 0 -4.53-999 ?-999 ?-999 ? O1S MES C 504s mGLY.C 181 57.88 68.10 106.64 57.10 67.56 106.32 57.43 70.53 106.75 56.38 70.29 107.35 58.22 69.41 106.10-999.99-999.99-999.99 1 0 6.92-999 ?-999 ?-999 ? O1S MES C 504 mVAL.C 182 57.93 71.75 106.63 58.70 71.82 105.99 57.33 74.13 106.52 58.33 74.57 105.96 57.40 72.88 107.39 58.25 73.17 108.64 3 0 9.14-999 ?-999 ?-999 ? O1S MES C 504 mPRO.C 183 56.13 74.71 106.43 55.40 74.21 106.88 57.08 76.95 105.98 57.54 77.07 107.12 55.95 75.98 105.71 54.64 76.51 106.30 3 0 12.48-999 ?-999 ?-999 ? O1S MES C 504 mLEU.C 184 57.53 77.65 104.94 56.96 77.58 104.13 58.58 79.67 105.87 57.63 80.43 105.68 58.77 78.42 105.01 59.24 78.81 103.61 3 0 12.77-999 ?-999 ?-999 ? O2S MES C 504 mLYS~C 185 59.50 79.87 106.82 60.15 79.12 106.93 60.51 82.11 107.02 61.72 81.92 107.09 59.53 81.10 107.60 59.89 80.79 109.06 2 0 14.79-999 ?-999 ?-999 ? O1S MES C 504 mARG~C 186 59.98 83.18 106.45 58.98 83.24 106.51 62.00 84.60 106.60 63.11 84.68 106.08 60.80 84.19 105.78 59.96 85.44 105.48 2 0 16.68-999 ?-999 ?-999 ? O2S MES A 502 mGLU~C 187 61.75 84.84 107.89 60.81 84.63 108.15 63.79 84.32 109.27 64.97 84.64 109.43 62.76 85.37 108.82 62.10 86.04 110.02 2 0 18.29-999 ?-999 ?-999 ? O3S MES C 504 mLYS~C 188 63.36 83.09 109.52 62.36 83.01 109.59 65.13 81.78 108.39 66.33 81.71 108.48 64.27 81.96 109.66 63.49 80.69 110.02 2 0 14.79-999 ?-999 ?-999 ? O3S MES C 504 mTYR~C 189 64.51 81.76 107.21 63.52 81.82 107.26 66.32 82.76 105.82 67.47 82.49 105.46 65.26 81.66 105.95 64.32 81.66 104.74 3 0 14.17-999 ?-999 ?-999 ? O3S MES C 504 mLEU~C 190 65.95 83.99 106.14 65.01 84.06 106.49 68.02 85.09 106.94 69.15 85.46 106.59 66.88 85.13 105.96 66.16 86.46 106.00 3 0 17.54-999 ?-999 ?-999 ? O3S MES C 504 mGLU~C 191 67.74 84.64 108.16 66.76 84.51 108.32 69.79 83.33 108.66 70.99 83.50 108.82 68.79 84.36 109.16 68.23 83.81 110.48 2 0 16.98-999 ?-999 ?-999 ? O3S MES C 504 mSER~C 192 69.30 82.24 108.08 68.31 82.16 108.09 71.00 81.80 106.30 72.20 81.54 106.21 70.19 81.27 107.50 69.42 80.01 107.15 2 0 14.06-999 ?-999 ?-999 ? O3S MES C 504 mVAL~C 193 70.38 82.58 105.41 69.39 82.67 105.55 72.28 84.11 104.87 73.40 84.01 104.37 71.15 83.24 104.33 70.31 84.14 103.37 3 0 16.44-999 ?-999 ?-999 ? O3S MES C 504 mGLU~C 194 72.01 84.96 105.86 71.06 84.99 106.16 74.32 84.99 106.96 75.45 85.42 106.81 73.12 85.78 106.41 72.67 86.83 107.43 2 0 19.22-999 ?-999 ?-999 ? O3S MES C 504 mPHE~C 195 74.09 83.86 107.63 73.13 83.70 107.88 75.82 82.29 106.72 77.04 82.35 106.57 75.17 82.93 107.96 74.73 81.79 108.90 3 0 17.46-999 ?-999 ?-999 ? O3S MES C 504 mTRP~C 196 75.02 81.67 105.85 74.04 81.83 105.97 76.19 81.57 103.64 76.82 80.97 102.75 75.62 80.82 104.81 74.70 79.68 104.38 3 0 16.02-999 ?-999 ?-999 ? O3S MES C 504 mLYS~C 197 75.99 82.88 103.63 75.32 83.20 104.30 78.21 83.61 102.86 78.94 83.56 101.87 76.70 83.76 102.71 76.29 85.21 102.93 2 0 19.42-999 ?-999 ?-999 ? O3S MES C 504 mGLU.C 198 78.67 83.54 104.10 77.97 83.37 104.79 80.71 82.39 104.86 81.86 82.35 105.30 80.09 83.70 104.40 80.29 84.78 105.46 2 0 21.02-999 ?-999 ?-999 ? O3S MES C 504 mHIS^C 199 79.94 81.31 104.76 79.07 81.46 104.29 80.07 78.89 104.31 79.01 78.86 103.67 80.35 80.02 105.30 79.64 79.74 106.63 3 0 18.43-999 ?-999 ?-999 ? O3S MES C 504 mALA^C 200 81.01 77.96 104.19 81.86 78.18 104.68 81.19 75.51 104.22 82.12 75.55 105.03 80.79 76.74 103.42 81.56 76.80 102.11 2 0 17.08-999 ?-999 ?-999 ? O3S MES C 504 mILE^C 201 80.49 74.40 103.99 79.68 74.55 103.41 82.24 72.62 103.94 82.63 72.94 102.81 80.89 73.10 104.54 79.81 71.93 104.46 3 0 15.31-999 ?-999 ?-999 ? O3S MES C 504 mVAL^C 202 82.98 71.89 104.75 82.65 71.83 105.69 83.80 69.78 104.04 83.18 69.14 104.91 84.16 71.25 104.26 85.33 71.44 105.23 3 0 17.93-999 ?-999 ?-999 ? O3S MES C 504 mSER.C 203 84.14 69.25 102.87 84.69 69.84 102.28 84.58 66.84 103.18 85.75 67.06 103.52 83.73 67.91 102.52 83.71 67.68 101.01 2 0 17.51-999 ?-999 ?-999 ? O3S MES C 504 mSER.C 204 83.97 65.68 103.32 82.99 65.74 103.12 85.12 64.59 105.13 84.32 64.90 105.99 84.62 64.42 103.73 85.74 63.96 102.76 2 0 18.39-999 ?-999 ?-999 ? O3S MES C 504 mLYS.D 1 62.44 81.74 24.92 62.27 81.67 23.93 62.46 83.29 26.82 61.33 83.76 26.60 62.71 81.84 26.38 64.11 81.36 26.70 2 0 18.78-999 ?-999 ?-999 ? C2 MES D 501 mLEU.D 2 63.41 84.02 27.43 63.17 84.99 27.44 64.47 83.35 29.56 63.43 83.69 30.12 64.66 83.55 28.05 65.78 84.53 27.76 3 0 17.72-999 ?-999 ?-999 ? C2 MES D 501 mLEU.D 3 65.46 82.77 30.21 66.28 82.60 29.66 65.74 83.58 32.57 66.41 84.51 32.14 65.35 82.43 31.62 66.18 81.18 31.93 3 0 14.19-999 ?-999 ?-999 ? C2 MES D 501 mGLY^D 4 65.31 83.47 33.84 64.57 82.81 33.97 66.56 83.34 35.91 66.56 82.14 35.70 65.88 84.26 34.93-999.99-999.99-999.99 1 0 12.03-999 ?-999 ?-999 ? C2 MES D 501 mVAL^D 5 67.12 83.88 36.99 67.12 84.88 36.99 67.04 83.37 39.41 67.19 84.46 39.95 67.69 83.05 38.07 69.27 83.10 38.18 3 0 9.90-999 ?-999 ?-999 ? O1 MES D 501 mASN.D 6 66.30 82.41 39.94 66.15 81.62 39.34 66.88 82.65 42.33 67.94 82.03 42.20 65.76 82.52 41.29 64.81 81.35 41.60 2 0 -6.26-999 ?-999 ?-999 ? O1 MES D 501s mSER~D 7 66.62 83.45 43.35 65.72 83.88 43.32 68.01 82.39 45.14 69.13 82.34 45.67 67.56 83.68 44.43 67.00 84.74 45.40 2 0 6.55-999 ?-999 ?-999 ? O1 MES D 501 mPHE~D 8 67.19 81.33 45.09 66.32 81.52 44.65 68.92 79.42 45.13 69.73 78.94 45.92 67.59 80.00 45.67 66.45 78.95 45.55 3 0 -4.90-999 ?-999 ?-999 ? O1 MES D 501s mALA~D 9 69.13 79.49 43.81 68.36 79.91 43.32 71.64 79.78 43.42 72.72 79.30 43.15 70.35 79.01 43.13 70.15 78.93 41.58 2 0 8.12-999 ?-999 ?-999 ? O1 MES D 501 mLEU~D 10 71.54 80.99 43.95 70.59 81.24 44.18 73.67 81.23 45.16 74.87 81.52 45.14 72.71 81.86 44.17 72.28 83.25 44.66 3 0 10.40-999 ?-999 ?-999 ? O1 MES D 501 mARG~D 11 73.11 80.36 46.00 72.12 80.34 45.93 74.89 78.64 46.30 75.86 78.25 46.95 73.85 79.51 46.93 72.86 78.59 47.64 2 0 10.93-999 ?-999 ?-999 ? C5 MES D 501 mGLN~D 12 74.68 78.27 45.03 73.89 78.70 44.60 76.83 78.00 43.83 77.70 77.33 43.26 75.58 77.32 44.37 74.87 76.55 43.27 2 0 12.79-999 ?-999 ?-999 ? C5 MES D 501 mPHE~D 13 76.91 79.30 44.05 76.14 79.67 44.57 78.92 80.40 44.74 79.89 81.10 44.62 78.00 80.11 43.57 77.53 81.37 42.79 3 0 15.47-999 ?-999 ?-999 ? O1 MES D 501 mVAL~D 14 78.60 79.82 45.88 77.77 79.26 45.84 80.07 78.75 47.47 79.45 77.75 47.74 79.39 80.00 47.07 78.58 80.52 48.23 3 0 16.47-999 ?-999 ?-999 ? C5 MES D 501 mGLU.D 15 81.39 78.82 47.53 81.76 79.73 47.32 81.86 77.09 49.23 81.74 77.78 50.20 82.19 77.67 47.87 83.69 77.92 47.67 2 0 19.09-999 ?-999 ?-999 ? C5 MES D 501 mGLY.D 16 81.67 75.79 49.22 81.87 75.35 48.35 79.82 74.55 50.25 79.37 73.89 51.16 81.21 75.06 50.36-999.99-999.99-999.99 1 0 18.37-999 ?-999 ?-999 ? O3S MES D 501 mTYR.D 17 79.14 74.90 49.16 79.63 75.55 48.58 77.82 72.89 48.71 78.67 72.33 48.10 77.83 74.39 48.83 77.31 75.00 47.55 3 0 14.70-999 ?-999 ?-999 ? O3S MES D 501 mARG.D 18 76.84 72.26 49.32 76.15 72.85 49.72 76.30 70.20 48.12 75.17 69.82 48.00 76.79 70.83 49.39 75.94 70.37 50.55 2 0 13.79-999 ?-999 ?-999 ? O3S MES D 501 mGLY.D 19 77.18 70.11 47.17 78.12 70.34 47.43 77.40 70.60 44.86 78.43 71.15 45.08 76.81 69.70 45.86-999.99-999.99-999.99 1 0 13.63-999 ?-999 ?-999 ? O3S MES D 501 mSER.D 20 76.69 70.77 43.77 75.72 70.53 43.87 77.76 72.66 42.64 77.09 73.52 42.21 77.27 71.25 42.54 76.24 71.23 41.43 2 0 14.33-999 ?-999 ?-999 ? O3S MES D 501 mTYR.D 21 78.94 72.89 43.18 79.37 72.07 43.55 79.85 74.75 41.82 80.39 74.06 41.03 79.55 74.22 43.22 80.79 74.22 44.10 3 0 16.43-999 ?-999 ?-999 ? O3S MES D 501 mILE.D 22 79.45 75.97 41.53 78.95 76.39 42.29 80.80 77.70 40.42 80.49 78.84 40.85 79.73 76.63 40.25 78.43 77.15 39.63 3 0 17.79-999 ?-999 ?-999 ? O3S MES D 501 mPRO.D 23 82.08 77.34 40.12 82.20 76.44 39.69 83.57 79.27 39.33 83.22 79.13 38.15 83.18 78.25 40.42 84.34 77.30 40.79 3 0 21.19-999 ?-999 ?-999 ? C3 MES D 501 mARG.D 24 84.26 80.32 39.77 84.34 80.31 40.77 83.93 82.07 37.92 84.38 82.62 36.90 84.85 81.39 38.94 86.15 80.94 38.28 2 0 23.27-999 ?-999 ?-999 ? O1 MES D 501 mMETD 25 82.65 82.07 38.21 82.40 81.61 39.06 80.68 83.34 38.22 80.36 82.79 39.25 81.71 82.69 37.34 81.03 81.61 36.52 2 0 21.06-999 ?-999 ?-999 ? O1 MES D 501 mSER~D 26 80.19 84.51 37.82 80.65 84.91 37.03 77.74 84.48 38.06 77.65 83.92 36.95 79.06 85.14 38.49 79.02 86.66 38.21 2 0 18.79-999 ?-999 ?-999 ? O1 MES D 501 mPRO~D 27 76.73 84.53 38.94 76.97 84.86 39.85 74.92 84.77 37.25 74.35 84.10 36.37 75.38 84.11 38.55 74.51 84.57 39.74 3 0 15.32-999 ?-999 ?-999 ? O1 MES D 501 mTYR~D 28 75.19 86.07 37.11 75.69 86.48 37.88 75.49 86.30 34.66 74.82 86.10 33.65 74.77 86.80 35.91 74.88 88.33 36.03 3 0 17.25-999 ?-999 ?-999 ? O1 MES D 501 mGLU~D 29 76.81 86.10 34.73 77.22 86.40 35.58 77.05 84.04 33.33 76.96 83.65 32.17 77.56 85.47 33.63 79.09 85.51 33.89 2 0 20.13-999 ?-999 ?-999 ? O1 MES D 501 mPHE~D 30 76.65 83.30 34.38 76.76 83.74 35.27 74.79 82.03 33.38 74.66 81.38 32.35 76.12 81.95 34.18 76.01 81.21 35.53 3 0 17.85-999 ?-999 ?-999 ? C3 MES D 501 mLEU~D 31 73.83 82.83 33.87 74.02 83.12 34.81 72.84 83.70 31.63 72.18 83.24 30.70 72.61 83.23 33.09 71.80 84.29 33.85 3 0 16.51-999 ?-999 ?-999 ? C3 MES D 501 mARG~D 32 73.77 84.63 31.42 74.17 85.03 32.25 74.40 83.75 29.09 73.78 83.56 28.03 74.14 84.99 30.01 75.35 85.92 30.00 2 0 20.24-999 ?-999 ?-999 ? C2 MES D 501 mASN~D 33 75.33 82.91 29.53 75.74 83.18 30.40 74.59 80.73 28.57 74.50 80.13 27.51 75.72 81.72 28.82 76.82 81.01 29.61 2 0 21.16-999 ?-999 ?-999 ? C3 MES D 501 mVAL~D 34 73.74 80.51 29.57 73.94 81.00 30.42 71.63 80.18 28.36 71.16 79.45 27.50 72.64 79.61 29.38 71.95 79.22 30.73 3 0 18.54-999 ?-999 ?-999 ? C3 MES D 501 mASN~D 35 71.30 81.47 28.47 71.74 81.95 29.23 70.92 82.12 26.10 70.18 81.91 25.14 70.38 82.09 27.51 69.96 83.47 27.95 2 0 19.52-999 ?-999 ?-999 ? C3 MES D 501 mASN~D 36 72.21 82.38 25.98 72.64 82.62 26.86 72.83 80.94 24.09 72.49 80.82 22.93 72.94 82.31 24.71 74.42 82.66 24.95 2 0 23.12-999 ?-999 ?-999 ? C3 MES D 501 mTYR~D 37 73.13 79.90 24.88 73.58 80.16 25.73 71.35 78.28 24.02 71.10 77.61 23.01 72.82 78.50 24.48 73.17 77.51 25.61 3 0 22.77-999 ?-999 ?-999 ? C3 MES D 501 mILE~D 38 70.39 78.82 24.75 70.71 79.27 25.59 68.74 79.41 22.95 68.16 78.81 22.03 68.98 78.74 24.34 68.02 79.31 25.46 3 0 21.44-999 ?-999 ?-999 ? C3 MES D 501 mILE~D 39 69.18 80.65 22.79 69.57 81.05 23.62 69.73 80.57 20.32 69.15 80.45 19.24 69.07 81.35 21.50 69.59 82.81 21.64 3 0 24.46-999 ?-999 ?-999 ? C3 MES D 501 mGLU~D 40 70.93 80.04 20.56 71.23 80.14 21.50 71.24 77.95 19.17 71.36 77.53 18.01 71.73 79.37 19.55 73.19 79.28 20.04 2 0 26.90-999 ?-999 ?-999 ? C3 MES D 501 mASN~D 41 70.71 77.23 20.16 70.53 77.75 21.00 68.96 75.40 20.15 68.60 74.27 19.84 70.43 75.80 20.02 71.27 75.02 21.03 2 0 26.01-999 ?-999 ?-999 ? C3 MES D 501 mASN~D 42 68.11 76.32 20.61 68.52 77.23 20.68 66.52 74.60 21.62 65.89 73.73 21.02 66.71 76.01 20.97 65.79 76.17 19.72 2 0 24.17-999 ?-999 ?-999 ? C3 MES D 501 mPRO.D 43 67.11 74.36 22.82 67.61 75.14 23.21 65.57 72.58 23.83 64.62 73.39 23.88 67.01 73.05 23.50 67.83 73.23 24.78 3 0 22.13-999 ?-999 ?-999 ? C3 MES D 501 mTHR.D 44 65.41 71.28 24.02 66.24 70.74 23.90 63.83 71.00 25.86 64.70 70.78 26.71 64.11 70.72 24.39 64.06 69.19 24.07 2 0 21.47-999 ?-999 ?-999 ? C3 MES D 501 mLEU.D 45 62.65 71.55 26.15 62.09 71.79 25.36 61.61 70.47 28.00 60.60 70.04 27.47 62.23 71.76 27.53 61.24 72.91 27.70 3 0 18.09-999 ?-999 ?-999 ? C3 MES D 501 mVAL^D 46 62.25 69.87 28.99 63.03 70.40 29.34 60.97 68.65 30.74 61.26 69.43 31.67 61.86 68.56 29.51 63.12 67.74 29.91 3 0 16.60-999 ?-999 ?-999 ? O1S MES D 501 mGLY.D 48 59.39 68.08 34.29 58.76 68.83 34.09 58.89 66.99 36.46 57.98 66.41 35.90 59.88 67.80 35.65-999.99-999.99-999.99 1 0 11.07-999 ?-999 ?-999 ? O1S MES D 501 mTYR.D 49 59.05 66.94 37.78 59.80 67.50 38.13 56.73 66.62 38.77 55.85 65.89 39.20 58.16 66.10 38.62 58.74 65.90 40.01 3 0 9.90-999 ?-999 ?-999 ? O1S MES D 501 mALA.D 50 56.53 67.89 38.46 57.36 68.35 38.15 55.14 69.49 37.36 56.16 69.74 36.71 55.23 68.55 38.55 55.13 69.31 39.88 2 0 10.00-999 ?-999 ?-999 ? O1S MES D 501 mASP.D 51 53.96 69.99 37.05 53.21 69.80 37.69 54.53 72.13 35.83 54.83 72.65 34.76 53.84 70.75 35.81 52.41 70.74 35.19 2 0 12.35-999 ?-999 ?-999 ? O1S MES D 501 mPHE.D 52 54.84 72.65 37.04 54.53 72.08 37.80 57.08 73.83 37.20 57.81 74.82 37.43 55.56 73.95 37.24 55.15 74.58 38.58 3 0 10.19-999 ?-999 ?-999 ? O1S MES D 501 mCYH^D 53 57.56 72.63 36.92 56.86 71.96 36.67 59.45 71.73 35.63 58.90 70.73 35.17 58.99 72.32 36.96 59.30 71.32 38.08 2 0 8.94-999 ?-999 ?-999 ? O1S MES D 501 mLYS^D 54 60.47 72.35 35.03 60.79 73.15 35.54 62.62 71.73 33.89 63.23 72.14 34.88 61.08 71.91 33.78 60.77 72.92 32.69 2 0 11.87-999 ?-999 ?-999 ? O1S MES D 501 mHIS^D 55 63.22 71.10 32.87 62.59 70.74 32.19 65.17 71.26 31.40 64.49 71.06 30.41 64.68 70.97 32.79 65.20 69.56 33.07 3 0 13.40-999 ?-999 ?-999 ? O1S MES D 501 mILE^D 56 66.42 71.71 31.35 66.77 72.00 32.24 68.50 71.11 30.52 69.00 71.31 31.60 67.20 71.77 30.15 67.46 73.20 29.73 3 0 16.32-999 ?-999 ?-999 ? C3 MES D 501 mPHE^D 57 68.98 70.25 29.65 68.37 70.08 28.87 71.22 70.18 28.79 70.94 70.27 27.62 70.29 69.62 29.81 70.21 68.10 29.70 3 0 18.01-999 ?-999 ?-999 ? O3S MES D 501 mILE^D 58 72.36 70.60 29.29 72.57 70.26 30.21 74.64 70.96 28.70 75.07 70.67 29.83 73.21 71.48 28.56 73.09 72.90 29.16 3 0 20.20-999 ?-999 ?-999 ? O3S MES D 501 mPRO^D 59 75.38 70.84 27.57 74.91 70.95 26.70 77.33 71.53 28.80 76.90 72.70 28.88 76.79 70.58 27.72 77.36 70.93 26.33 3 0 22.89-999 ?-999 ?-999 ? O3S MES D 501 mASN.D 60 78.22 71.04 29.66 78.50 70.09 29.49 79.81 72.83 30.25 80.90 72.42 29.81 78.72 71.87 30.76 79.14 70.97 31.94 2 0 21.73-999 ?-999 ?-999 ? O3S MES D 501 mPHE.D 61 79.47 74.12 30.26 78.54 74.27 30.59 81.15 75.81 31.01 81.90 76.76 30.83 80.34 75.21 29.83 79.46 76.31 29.19 3 0 23.38-999 ?-999 ?-999 ? C3 MES D 501 mTHR.D 62 80.92 75.29 32.22 80.22 74.58 32.21 82.67 74.68 33.90 82.76 73.57 33.35 81.64 75.73 33.44 80.68 76.08 34.66 2 0 22.33-999 ?-999 ?-999 ? C3 MES D 501 mGLU.D 63 83.45 75.03 34.91 83.32 75.97 35.23 83.86 73.29 36.67 84.65 72.69 37.43 84.43 74.11 35.48 85.71 74.85 35.88 2 0 23.59-999 ?-999 ?-999 ? O3S MES D 501 mALA.D 64 82.53 73.26 36.79 82.04 73.77 36.08 81.91 71.03 37.69 81.68 70.49 36.59 81.83 72.55 37.86 80.39 73.04 37.98 2 0 20.17-999 ?-999 ?-999 ? O3S MES D 501 mLYS.D 65 82.21 70.36 38.82 82.14 70.94 39.63 81.43 68.03 39.14 80.48 68.42 39.80 82.61 68.95 38.91 83.54 68.75 40.12 2 0 20.80-999 ?-999 ?-999 ? O3S MES D 501 mGLN.D 66 81.50 66.78 38.66 82.29 66.60 38.07 80.36 65.82 40.54 81.37 65.91 41.28 80.50 65.79 39.01 80.85 64.40 38.49 2 0 19.68-999 ?-999 ?-999 ? O3S MES D 501 mSER.D 67 79.11 65.79 41.00 78.42 65.58 40.31 78.13 64.89 43.10 77.88 64.99 44.28 78.80 66.05 42.40 77.95 67.32 42.57 2 0 17.07-999 ?-999 ?-999 ? O3S MES D 501 mILE^D 68 77.92 63.79 42.39 78.18 63.88 41.43 78.27 61.40 42.70 78.86 61.30 41.63 77.35 62.57 42.96 75.89 62.36 42.45 3 0 17.39-999 ?-999 ?-999 ? O3S MES D 501 mVAL^D 69 78.43 60.54 43.69 77.92 60.78 44.51 78.52 58.12 44.09 77.91 58.18 45.15 79.28 59.36 43.56 80.65 59.61 44.33 3 0 20.75-999 ?-999 ?-999 ? O3S MES D 501 mLYS^D 70 78.55 57.03 43.33 78.89 57.22 42.40 78.85 55.26 45.07 80.08 55.31 45.14 78.14 55.71 43.78 78.43 54.70 42.65 2 0 22.46-999 ?-999 ?-999 ? O3S MES D 501 mILE.D 71 78.05 54.88 46.09 77.07 55.01 45.92 78.87 52.85 47.15 78.01 52.10 46.68 78.56 54.33 47.33 77.56 54.46 48.53 3 0 23.67-999 ?-999 ?-999 ? O3S MES D 501 mTHR.D 72 80.07 52.44 47.54 80.64 53.17 47.92 81.01 50.61 48.82 81.20 51.44 49.73 80.53 51.06 47.45 81.72 50.88 46.46 2 0 27.46-999 ?-999 ?-999 ? O3S MES D 501 mASN.D 73 81.23 49.31 48.97 80.97 48.76 48.18 83.08 49.44 50.66 83.26 49.68 51.85 81.79 48.76 50.19 81.95 47.25 50.03 2 0 30.27-999 ?-999 ?-999 ? O3S MES D 501 mGLU.D 74 83.93 49.79 49.69 83.56 49.63 48.77 85.29 51.85 50.26 86.20 52.30 50.95 85.26 50.36 49.93 86.19 50.05 48.75 2 0 31.31-999 ?-999 ?-999 ? O3S MES D 501 mASN~D 75 84.30 52.62 49.77 83.62 52.10 49.25 83.20 54.56 51.07 83.22 55.72 51.50 84.21 54.08 49.97 84.11 54.83 48.61 2 0 28.02-999 ?-999 ?-999 ? O3S MES D 501 mGLU~D 76 82.37 53.63 51.53 82.48 52.75 51.09 81.98 54.49 53.87 81.31 55.28 54.53 81.39 53.88 52.58 80.61 52.59 52.92 2 0 26.63-999 ?-999 ?-999 ? O3S MES D 501 mLYS~D 77 83.23 54.16 54.17 83.66 53.55 53.50 84.11 56.19 55.40 84.44 56.78 56.42 83.91 54.67 55.39 85.23 53.91 55.65 2 0 28.65-999 ?-999 ?-999 ? O3S MES D 501 mTYR~D 78 83.85 56.80 54.25 83.40 56.20 53.58 82.95 59.13 54.08 83.09 60.35 54.14 84.16 58.21 53.97 84.76 58.31 52.58 3 0 26.33-999 ?-999 ?-999 ? O3S MES D 501 mILE~D 79 81.75 58.52 54.07 81.80 57.55 53.86 80.48 59.98 55.70 80.62 59.35 56.76 80.49 59.22 54.36 79.28 58.22 54.40 3 0 23.09-999 ?-999 ?-999 ? O3S MES D 501 mLYS^D 80 80.30 61.30 55.65 80.42 61.69 54.73 78.43 62.21 56.90 77.75 62.17 55.85 79.97 62.08 56.84 80.61 63.50 56.80 2 0 22.22-999 ?-999 ?-999 ? O3S MES D 501 mTHR^D 81 77.92 62.39 58.12 78.58 62.33 58.86 76.27 63.89 59.24 77.19 64.32 59.98 76.49 62.64 58.32 75.79 61.44 58.99 2 0 20.28-999 ?-999 ?-999 ? O2S MES D 501 mGLY^D 82 75.05 64.44 59.20 74.41 63.99 58.57 73.42 66.29 59.65 72.79 65.99 58.64 74.71 65.61 60.02-999.99-999.99-999.99 1 0 18.79-999 ?-999 ?-999 ? O2S MES D 501 mTYR^D 83 73.01 67.21 60.50 73.62 67.34 61.27 72.13 69.32 59.72 72.64 70.20 60.42 71.78 67.96 60.32 71.04 68.10 61.67 3 0 16.40-999 ?-999 ?-999 ? O2S MES D 501 mILE^D 84 71.82 69.47 58.44 71.30 68.69 58.10 70.88 71.30 57.06 69.97 70.63 56.61 72.18 70.61 57.58 73.00 70.03 56.32 3 0 14.20-999 ?-999 ?-999 ? O2S MES D 501 mSER.D 85 70.78 72.63 57.13 71.53 73.04 57.65 70.10 73.83 55.10 71.26 74.05 54.90 69.67 73.41 56.51 69.43 74.70 57.31 2 0 11.67-999 ?-999 ?-999 ? O2S MES D 501 mARG.D 86 69.19 73.99 54.14 68.25 73.76 54.40 69.84 75.97 52.82 70.63 76.50 52.04 69.63 74.47 52.80 68.65 74.18 51.69 2 0 -9.09-999 ?-999 ?-999 ? C5 MES D 501s mARG.D 87 69.11 76.65 53.70 68.53 76.06 54.25 68.68 78.41 55.24 68.11 77.54 55.89 69.15 78.11 53.84 68.24 78.80 52.83 2 0 -8.99-999 ?-999 ?-999 ? C5 MES D 501s mASP.D 88 68.92 79.64 55.71 69.35 80.24 55.03 67.14 79.86 57.45 66.80 79.52 58.59 68.60 80.05 57.10 68.95 81.54 57.36 2 0 11.60-999 ?-999 ?-999 ? C5 MES D 501 mGLU.D 89 66.25 80.11 56.51 66.66 80.44 55.66 64.27 78.54 56.81 63.12 78.37 57.10 64.82 79.95 56.69 64.14 80.60 55.52 2 0 9.82-999 ?-999 ?-999 ? C6 MES D 501 mGLU.D 90 65.10 77.55 56.58 66.02 77.85 56.35 65.14 75.41 57.90 66.25 75.66 58.39 64.66 76.15 56.65 65.12 75.39 55.41 2 0 9.65-999 ?-999 ?-999 ? C5 MES D 501 mILE.D 91 64.36 74.50 58.43 63.41 74.57 58.13 65.90 72.54 58.86 65.81 72.11 57.79 64.85 73.49 59.35 63.70 72.72 60.06 3 0 11.88-999 ?-999 ?-999 ? O2S MES D 501 mPRO.D 92 66.90 72.23 59.66 66.88 72.70 60.54 67.46 69.83 59.23 66.65 69.46 60.01 67.92 71.27 59.26 68.98 71.44 60.32 3 0 12.86-999 ?-999 ?-999 ? O2S MES D 501 mVAL^D 93 68.01 69.07 58.32 68.76 69.52 57.84 68.80 66.84 58.00 69.82 67.24 57.68 67.59 67.74 58.01 66.78 67.65 56.69 3 0 12.37-999 ?-999 ?-999 ? O2S MES D 501 mLEU^D 94 68.66 65.64 58.47 67.80 65.52 58.97 70.10 64.30 56.88 69.35 64.09 55.97 69.62 64.60 58.29 69.21 63.35 59.04 3 0 14.95-999 ?-999 ?-999 ? O2S MES D 501 mSER^D 95 71.39 64.37 56.70 71.92 64.46 57.54 73.23 63.47 55.45 73.84 63.37 56.51 71.95 64.30 55.37 72.24 65.75 54.87 2 0 14.76-999 ?-999 ?-999 ? O2S MES D 501 mARG^D 96 73.63 62.87 54.33 72.96 62.87 53.59 75.66 62.71 53.01 75.04 62.98 51.95 74.95 62.26 54.24 74.90 60.74 54.31 2 0 17.36-999 ?-999 ?-999 ? O3S MES D 501 mTRP^D 97 76.98 62.77 53.12 77.35 62.43 53.98 79.19 62.73 52.01 79.66 62.17 53.02 77.78 63.30 52.02 77.81 64.85 52.08 3 0 17.99-999 ?-999 ?-999 ? O3S MES D 501 mPHE^D 98 79.86 62.84 50.87 79.30 63.01 50.06 81.92 64.11 51.04 81.56 65.03 50.30 81.33 62.72 50.86 81.84 62.03 49.56 3 0 20.89-999 ?-999 ?-999 ? O3S MES D 501 mPRO.D 99 82.84 64.28 52.01 82.96 63.49 52.61 84.42 65.90 50.90 84.80 65.00 50.13 83.58 65.55 52.15 84.51 65.27 53.32 3 0 22.09-999 ?-999 ?-999 ? O3S MES D 501 mLYS.D 100 84.72 67.18 50.68 84.37 67.81 51.37 86.96 67.03 49.49 87.56 66.87 48.42 85.52 67.58 49.51 85.52 69.11 49.38 2 0 22.82-999 ?-999 ?-999 ? O3S MES D 501 mASP.D 101 87.55 66.76 50.65 86.99 66.91 51.46 88.99 64.72 50.78 90.05 64.19 50.67 88.91 66.28 50.67 89.77 67.07 51.72 2 0 26.56-999 ?-999 ?-999 ? O3S MES D 501 mSER~D 102 87.87 64.02 50.94 87.06 64.59 51.04 88.28 61.90 49.65 88.12 62.50 48.60 87.84 62.55 50.97 86.44 62.09 51.34 2 0 26.75-999 ?-999 ?-999 ? O3S MES D 501 mPRO~D 103 88.86 60.67 49.69 88.97 60.30 50.62 88.26 59.78 47.31 88.65 59.90 46.13 89.29 59.95 48.46 89.78 58.59 49.00 3 0 28.80-999 ?-999 ?-999 ? O3S MES D 501 mPRO~D 104 86.97 59.47 47.61 86.78 59.24 48.56 85.81 60.85 45.80 85.30 60.87 44.69 85.98 59.50 46.52 84.67 59.11 47.23 3 0 26.01-999 ?-999 ?-999 ? O3S MES D 501 mALA~D 105 86.24 61.93 46.44 86.67 61.70 47.31 87.29 63.82 45.15 87.15 64.76 44.36 86.10 63.32 45.97 85.94 64.23 47.17 2 0 24.43-999 ?-999 ?-999 ? O3S MES D 501 mSER~D 106 88.46 63.22 45.38 88.41 62.40 45.95 89.94 63.37 43.35 90.77 63.96 42.66 89.70 63.76 44.82 90.90 63.52 45.75 2 0 27.68-999 ?-999 ?-999 ? O3S MES D 501 mGLN~D 107 89.17 62.40 42.87 88.54 62.04 43.55 88.52 62.84 40.55 88.94 63.08 39.42 89.23 61.90 41.49 88.48 60.54 41.40 2 0 28.27-999 ?-999 ?-999 ? O3S MES D 501 mLEU.D 108 87.40 63.36 41.05 87.34 63.31 42.05 86.87 65.14 39.39 87.84 65.81 39.74 86.37 63.95 40.22 85.16 64.26 41.10 3 0 25.18-999 ?-999 ?-999 ? O3S MES D 501 mILE.D 109 86.22 65.34 38.25 85.47 64.69 38.11 85.28 67.04 36.74 84.16 66.65 37.09 86.56 66.40 37.31 87.49 65.89 36.12 3 0 25.50-999 ?-999 ?-999 ? O3S MES D 501 mLYS.D 110 85.46 68.02 35.88 86.42 68.29 35.77 83.34 67.64 34.68 83.65 66.63 34.06 84.38 68.67 35.15 84.98 69.47 33.97 2 0 23.97-999 ?-999 ?-999 ? O3S MES D 501 mSER.D 111 82.09 67.91 35.01 81.96 68.75 35.54 80.69 67.32 33.11 81.08 68.39 32.58 81.03 67.03 34.60 79.86 67.26 35.53 2 0 21.76-999 ?-999 ?-999 ? O3S MES D 501 mLYS.D 112 80.01 66.39 32.45 79.67 65.65 33.03 78.59 67.38 30.74 78.58 68.13 29.76 79.77 66.46 31.01 79.50 65.04 30.47 2 0 23.11-999 ?-999 ?-999 ? O3S MES D 501 mTYR^D 113 77.61 67.33 31.61 77.78 66.73 32.39 76.06 68.96 32.63 76.64 68.77 33.72 76.40 68.11 31.41 75.22 67.18 31.13 3 0 20.15-999 ?-999 ?-999 ? O3S MES D 501 mLEU^D 114 75.12 69.88 32.44 74.95 70.08 31.47 72.93 70.24 33.37 72.42 70.35 32.25 74.42 70.54 33.54 74.72 72.07 33.56 3 0 16.87-999 ?-999 ?-999 ? O3S MES D 501 mASP^D 115 72.27 69.74 34.42 72.90 69.41 35.13 70.40 71.01 35.11 70.67 71.24 36.29 70.78 69.67 34.52 70.28 68.55 35.49 2 0 14.09-999 ?-999 ?-999 ? O3S MES D 501 mILE^D 116 69.87 71.92 34.28 69.87 71.62 33.33 67.84 73.01 35.03 67.04 72.75 34.12 69.33 73.21 34.72 69.64 74.38 33.66 3 0 12.84-999 ?-999 ?-999 ? C3 MES D 501 mILE^D 117 67.50 73.06 36.33 68.28 73.22 36.94 65.40 74.24 36.91 65.91 75.19 37.47 66.14 72.89 36.84 66.17 72.18 38.26 3 0 9.77-999 ?-999 ?-999 ? O3S MES D 501 mLEU^D 118 64.20 74.28 36.35 63.86 73.38 36.08 62.12 75.50 36.87 61.41 74.51 36.77 63.44 75.51 36.13 63.18 75.68 34.64 3 0 8.85-999 ?-999 ?-999 ? C3 MES D 501 mTYR^D 119 61.78 76.55 37.61 62.51 77.21 37.77 59.71 77.82 37.46 60.35 78.82 37.13 60.40 76.67 38.12 60.32 76.87 39.64 3 0 -6.94-999 ?-999 ?-999 ? C3 MES D 501s mSER^D 120 58.39 77.69 37.29 58.02 76.82 37.61 57.54 79.94 37.62 57.82 79.85 38.83 57.57 78.73 36.70 56.16 78.23 36.32 2 0 9.26-999 ?-999 ?-999 ? C2 MES D 501 mLYS~D 121 57.24 81.08 36.99 57.07 80.96 36.01 56.17 82.31 38.77 56.43 82.83 39.85 57.18 82.38 37.65 56.80 83.46 36.63 2 0 9.34-999 ?-999 ?-999 ? C2 MES D 501 mGLU~D 122 55.01 81.68 38.51 54.98 81.29 37.59 54.22 80.64 40.70 53.83 80.97 41.83 53.90 81.56 39.49 52.56 81.20 38.81 2 0 10.01-999 ?-999 ?-999 ? C2 MES D 501 mGLN~D 123 54.92 79.53 40.47 55.04 79.31 39.51 56.48 79.47 42.40 56.45 79.39 43.64 55.45 78.71 41.56 56.03 77.39 41.03 2 0 7.25-999 ?-999 ?-999 ? C2 MES D 501 mCYH~D 124 57.38 80.21 41.75 57.32 80.16 40.75 57.72 82.06 43.38 58.11 82.25 44.52 58.37 81.00 42.50 59.42 81.63 41.55 2 0 4.77-999 ?-999 ?-999 ? C2 MES D 501 mGLU~D 125 56.69 82.71 42.85 56.46 82.44 41.92 55.06 83.13 44.68 54.96 83.67 45.77 55.97 83.73 43.61 55.32 84.75 42.67 2 0 7.78-999 ?-999 ?-999 ? C2 MES D 501 mLYS~D 126 54.49 81.97 44.39 54.63 81.66 43.45 54.54 80.86 46.63 54.07 81.06 47.75 53.72 81.24 45.38 53.07 80.00 44.74 2 0 8.52-999 ?-999 ?-999 ? C2 MES D 501 mGLU~D 127 55.74 80.32 46.42 55.94 80.16 45.46 57.24 81.25 48.26 57.40 81.22 49.48 56.69 80.01 47.51 57.88 79.22 46.95 2 0 -5.92-999 ?-999 ?-999 ? C2 MES D 501s mSER~D 128 57.54 82.31 47.51 57.48 82.13 46.53 56.89 84.18 49.03 57.22 84.59 50.13 57.94 83.61 48.05 58.23 84.64 46.89 2 0 6.66-999 ?-999 ?-999 ? O1 MES D 501 mSER~D 129 55.63 84.17 48.62 55.51 83.78 47.70 54.24 83.87 50.74 53.62 84.40 51.66 54.53 84.66 49.44 53.26 84.82 48.58 2 0 10.18-999 ?-999 ?-999 ? C6 MES D 501 mILE~D 130 54.72 82.62 50.82 55.16 82.30 49.98 55.84 81.92 52.95 55.72 81.94 54.18 54.61 81.80 52.04 54.34 80.30 51.74 3 0 9.81-999 ?-999 ?-999 ? C6 MES D 501 mMETD 131 57.01 81.99 52.35 56.97 81.98 51.35 58.61 83.50 53.46 59.22 83.77 54.50 58.26 82.06 53.12 59.40 81.40 52.36 2 0 8.02-999 ?-999 ?-999 ? C6 MES D 501 mASN~D 132 58.20 84.41 52.58 57.67 84.03 51.83 59.99 86.10 52.59 60.63 86.60 53.54 58.50 85.84 52.71 57.99 86.41 54.03 2 0 9.77-999 ?-999 ?-999 ? C6 MES D 501 mCYS.D 134 62.71 87.68 50.64 62.44 86.74 50.86 64.49 89.11 49.71 65.24 90.06 49.98 63.10 89.04 50.32 63.07 89.89 51.61 2 0 10.54-999 ?-999 ?-999 ? O1 MES D 501 mLEU.D 135 64.85 88.10 48.91 64.21 87.33 48.89 65.91 88.46 46.67 64.87 88.11 46.07 66.11 88.18 48.16 67.02 86.97 48.39 3 0 9.59-999 ?-999 ?-999 ? O1 MES D 501 mGLN.D 136 66.93 89.08 46.08 67.68 89.25 46.71 67.14 88.33 43.68 68.06 87.53 43.85 66.94 89.49 44.66 68.11 90.46 44.44 2 0 10.90-999 ?-999 ?-999 ? O1 MES D 501 mASP.D 137 66.31 88.28 42.65 65.52 88.89 42.72 67.54 88.03 40.53 67.60 89.27 40.41 66.54 87.39 41.50 65.24 87.15 40.73 2 0 9.78-999 ?-999 ?-999 ? O1 MES D 501 mILE.D 138 68.31 87.19 39.82 68.24 86.24 40.10 68.44 87.65 37.40 67.91 86.63 36.97 69.18 87.67 38.73 70.52 86.85 38.54 3 0 12.61-999 ?-999 ?-999 ? O1 MES D 501 mLEU.D 139 68.40 88.80 36.75 68.89 89.54 37.21 68.69 89.27 34.33 69.62 90.08 34.49 67.72 88.96 35.47 66.61 90.00 35.56 3 0 14.91-999 ?-999 ?-999 ? O1 MES D 501 mASP.D 140 68.49 88.60 33.20 67.81 87.87 33.27 68.65 90.25 31.45 67.45 90.43 31.37 69.18 88.91 31.97 68.93 87.79 30.92 2 0 17.95-999 ?-999 ?-999 ? C2 MES D 501 mASP.D 141 69.56 91.14 31.06 70.50 90.83 31.20 68.20 92.31 29.35 67.38 93.21 29.10 69.20 92.45 30.49 70.45 93.15 29.94 2 0 21.11-999 ?-999 ?-999 ? O1 MES D 501 mARG.D 142 68.29 91.17 28.66 68.98 90.55 29.01 66.05 90.34 27.86 65.22 90.20 26.96 67.44 90.87 27.50 68.13 89.91 26.51 2 0 21.88-999 ?-999 ?-999 ? C2 MES D 501 mGLU.D 143 65.78 90.08 29.14 66.55 90.27 29.75 64.18 89.86 31.09 64.67 89.15 31.98 64.46 89.56 29.60 64.35 88.05 29.32 2 0 18.86-999 ?-999 ?-999 ? C2 MES D 501 mLYS.D 144 63.40 90.91 31.34 63.02 91.35 30.53 61.87 90.69 33.23 61.53 90.80 34.43 63.13 91.36 32.70 62.97 92.89 32.75 2 0 17.53-999 ?-999 ?-999 ? C2 MES D 501 mASN.D 145 61.17 90.00 32.33 61.53 90.01 31.40 59.91 87.83 32.32 58.98 87.44 31.61 59.96 89.32 32.72 58.76 90.07 32.15 2 0 16.18-999 ?-999 ?-999 ? C2 MES D 501 mPRO.D 146 60.89 87.00 32.78 61.56 87.41 33.39 59.71 84.80 32.86 59.13 85.15 33.91 60.93 85.58 32.37 62.19 85.05 33.04 3 0 14.27-999 ?-999 ?-999 ? C2 MES D 501 mASP.D 147 59.33 83.77 32.11 59.84 83.69 31.26 58.78 81.70 33.40 58.04 81.14 34.22 58.25 82.85 32.54 57.46 82.31 31.34 2 0 13.49-999 ?-999 ?-999 ? C2 MES D 501 mTRP^D 148 60.08 81.40 33.23 60.52 82.00 32.56 62.09 80.85 34.58 62.80 81.64 33.98 60.80 80.33 33.93 61.12 79.13 32.98 3 0 11.12-999 ?-999 ?-999 ? C2 MES D 501 mTYR^D 149 62.39 80.35 35.78 61.70 79.72 36.13 64.43 79.46 36.85 63.89 78.41 37.15 63.60 80.68 36.51 63.26 81.40 37.82 3 0 8.76-999 ?-999 ?-999 ? C2 MES D 501 mILE^D 150 65.74 79.61 36.83 66.04 80.49 36.47 66.59 78.53 38.81 66.83 79.57 39.47 66.66 78.57 37.29 68.11 78.88 36.83 3 0 8.62-999 ?-999 ?-999 ? C3 MES D 501 mILE^D 151 66.18 77.37 39.36 65.89 76.68 38.71 67.36 76.31 41.35 67.75 76.38 42.53 66.20 77.19 40.83 64.83 76.68 41.42 3 0 5.41-999 ?-999 ?-999 ? C3 MES D 501 mSER^D 152 67.91 75.49 40.46 67.55 75.60 39.54 69.67 74.10 39.57 69.11 74.11 38.47 68.94 74.53 40.82 68.33 73.30 41.54 2 0 7.94-999 ?-999 ?-999 ? O3S MES D 501 mILE^D 153 70.95 73.76 39.74 71.25 73.83 40.70 72.58 72.11 39.13 73.26 72.15 40.15 71.84 73.35 38.66 72.86 74.45 38.34 3 0 11.31-999 ?-999 ?-999 ? O3S MES D 501 mLYS^D 154 72.42 71.01 38.40 71.80 71.12 37.63 74.18 69.52 37.68 73.89 69.45 36.49 73.11 69.76 38.73 72.15 68.55 38.82 2 0 12.52-999 ?-999 ?-999 ? O3S MES D 501 mALA^D 155 75.42 69.43 38.15 75.46 69.64 39.13 76.75 67.56 37.32 77.10 66.93 38.34 76.61 69.08 37.35 77.86 69.73 37.99 2 0 16.22-999 ?-999 ?-999 ? O3S MES D 501 mGLN^D 156 76.49 66.97 36.15 76.46 67.59 35.37 76.71 65.00 34.69 76.83 65.76 33.73 76.28 65.53 36.06 74.81 65.19 36.31 2 0 17.79-999 ?-999 ?-999 ? O3S MES D 501 mASN.D 157 76.94 63.69 34.62 76.70 63.19 35.45 76.43 62.64 32.44 76.69 62.50 31.25 77.51 63.08 33.42 78.40 61.90 33.80 2 0 21.22-999 ?-999 ?-999 ? O3S MES D 501 mGLU.D 158 75.22 62.42 32.95 75.14 62.61 33.93 73.24 63.08 31.65 73.18 64.13 32.28 74.12 61.93 32.13 73.28 60.92 32.91 2 0 20.61-999 ?-999 ?-999 ? O3S MES D 501 mSER.D 159 72.57 62.87 30.52 72.67 61.95 30.14 70.28 63.73 30.23 69.41 64.05 29.42 71.76 63.91 29.90 71.97 63.92 28.39 2 0 20.24-999 ?-999 ?-999 ? O3S MES D 501 mPHE.D 160 70.01 63.20 31.42 70.81 62.97 31.96 68.51 63.17 33.38 69.51 63.15 34.10 68.64 63.00 31.87 68.14 61.61 31.46 3 0 18.00-999 ?-999 ?-999 ? O3S MES D 501 mGLU.D 161 67.28 63.35 33.85 66.54 63.25 33.18 67.43 62.51 36.13 67.06 61.33 35.90 67.05 63.66 35.22 65.58 64.02 35.41 2 0 14.60-999 ?-999 ?-999 ? O3S MES D 501 mVAL.D 162 68.21 62.87 37.13 68.57 63.80 37.02 67.48 62.29 39.36 67.09 63.41 39.58 68.54 62.04 38.27 69.98 62.42 38.74 3 0 14.11-999 ?-999 ?-999 ? O3S MES D 501 mPRO.D 163 67.01 61.24 40.03 67.34 60.35 39.71 66.51 62.48 42.20 67.68 62.52 42.62 66.08 61.42 41.16 66.09 60.05 41.85 3 0 12.50-999 ?-999 ?-999 ? O3S MES D 501 mMETD 164 65.55 63.31 42.63 64.71 63.30 42.09 65.87 63.29 45.08 65.33 62.17 45.17 65.75 64.13 43.81 64.69 65.24 43.90 2 0 9.04-999 ?-999 ?-999 ? O3S MES D 501 mGLU~D 165 66.64 63.77 46.04 67.04 64.67 45.83 65.57 62.87 48.03 64.66 63.69 47.83 66.88 63.04 47.29 67.90 63.79 48.13 2 0 10.15-999 ?-999 ?-999 ? O3S MES D 501 mPRO~D 166 65.42 61.78 48.83 66.22 61.19 48.90 63.64 62.60 50.51 62.44 62.82 50.53 64.15 61.55 49.52 64.33 60.14 50.16 3 0 10.91-999 ?-999 ?-999 ? O2S MES D 501 mILE~D 167 64.51 63.28 51.26 65.46 62.97 51.18 63.48 65.49 51.30 62.57 66.17 51.74 64.08 64.40 52.13 65.21 65.22 52.88 3 0 9.04-999 ?-999 ?-999 ? O2S MES D 501 mTHR~D 168 64.04 65.72 50.13 64.80 65.10 49.92 62.08 66.52 48.96 61.28 67.45 48.93 63.55 66.79 49.24 64.40 66.79 47.92 2 0 5.72-999 ?-999 ?-999 ? O2S MES D 501 mILE~D 169 61.75 65.23 48.75 62.53 64.59 48.81 59.44 64.94 49.69 58.29 65.39 49.57 60.40 64.78 48.47 60.35 63.31 47.91 3 0 7.48-999 ?-999 ?-999 ? O2S MES D 501 mLEU~D 170 59.93 64.54 50.86 60.84 64.13 50.79 59.00 66.15 52.49 57.93 66.50 52.94 59.21 64.71 52.12 59.94 64.00 53.25 3 0 8.89-999 ?-999 ?-999 ? O2S MES D 501 mARG~D 171 60.00 67.00 52.31 60.85 66.58 51.98 58.90 69.15 51.58 58.30 70.16 51.92 59.81 68.44 52.58 61.15 69.18 52.72 2 0 6.25-999 ?-999 ?-999 ? O2S MES D 501 mASN~D 172 58.79 68.63 50.36 59.36 67.82 50.20 56.43 69.21 49.78 55.55 69.92 49.26 57.91 69.22 49.34 58.11 68.53 47.98 2 0 -5.07-999 ?-999 ?-999 ? O2S MES D 501s mTHR.D 173 56.19 68.36 50.78 57.02 67.90 51.10 54.53 69.29 52.29 53.37 69.46 52.68 54.92 68.11 51.37 55.09 66.77 52.08 2 0 8.70-999 ?-999 ?-999 ? O2S MES D 501 mLEU.D 174 55.51 70.14 52.60 56.37 69.95 52.15 55.81 72.57 52.94 56.96 72.95 53.12 55.32 71.24 53.53 56.03 70.97 54.88 3 0 8.64-999 ?-999 ?-999 ? O2S MES D 501 mILE.D 175 54.92 73.26 52.24 54.00 72.87 52.24 55.70 75.58 52.50 56.19 76.63 52.09 55.29 74.48 51.53 54.14 74.99 50.65 3 0 7.84-999 ?-999 ?-999 ? O2S MES D 501 mGLU.D 176 55.49 75.33 53.79 55.12 74.43 53.98 57.13 76.03 55.49 57.48 76.66 56.49 55.79 76.32 54.82 54.67 76.37 55.86 2 0 10.09-999 ?-999 ?-999 ? O2S MES D 501 mGLU.D 177 57.86 75.07 54.94 57.51 74.73 54.07 60.24 74.52 54.59 61.06 73.61 54.63 59.08 74.57 55.58 58.83 73.18 56.18 2 0 8.49-999 ?-999 ?-999 ? O2S MES D 501 mGLY.D 178 60.30 75.51 53.71 60.97 76.23 53.93 60.01 74.67 51.41 61.03 74.98 50.81 59.46 75.53 52.53-999.99-999.99-999.99 1 0 6.20-999 ?-999 ?-999 ? C8 MES D 501 mGLY.D 179 59.32 73.56 51.14 58.78 73.20 51.91 58.32 73.52 48.88 57.92 74.68 49.03 59.35 72.94 49.83-999.99-999.99-999.99 1 0 -3.24-999 ?-999 ?-999 ? O2S MES D 501s mSER.D 180 57.90 72.72 47.91 58.12 71.75 48.04 55.67 73.07 46.96 54.87 73.63 46.20 57.17 73.23 46.77 57.59 72.49 45.51 2 0 -4.21-999 ?-999 ?-999 ? O1S MES D 501s mGLY.D 181 55.30 72.28 47.96 56.07 71.93 48.49 53.22 70.89 47.43 52.04 71.02 47.18 53.92 71.97 48.25-999.99-999.99-999.99 1 0 7.69-999 ?-999 ?-999 ? O1S MES D 501 mVAL.D 182 53.91 69.81 47.05 54.89 69.84 47.26 53.07 67.52 47.35 53.99 67.25 48.15 53.24 68.71 46.38 53.94 68.33 45.08 3 0 8.76-999 ?-999 ?-999 ? O1S MES D 501 mPRO.D 183 51.89 66.86 47.35 51.17 67.22 46.75 52.63 64.52 47.79 52.96 64.36 46.60 51.73 65.68 48.19 50.24 65.30 47.97 3 0 11.85-999 ?-999 ?-999 ? O1S MES D 501 mLEU.D 184 53.00 63.70 48.78 52.59 63.90 49.67 53.31 61.54 47.65 52.17 61.11 47.87 53.95 62.61 48.53 54.48 62.00 49.83 3 0 12.36-999 ?-999 ?-999 ? O2S MES D 501 mLYS~D 185 54.04 61.13 46.63 54.87 61.66 46.47 54.68 58.92 46.15 55.86 59.09 45.91 53.67 60.00 45.83 53.70 60.33 44.35 2 0 14.49-999 ?-999 ?-999 ? O1S MES D 501 mARG~D 186 54.18 57.83 46.70 53.18 57.83 46.73 55.90 56.12 46.17 57.07 55.85 46.47 54.98 56.73 47.21 54.04 55.65 47.73 2 0 16.85-999 ?-999 ?-999 ? O2S MES D 501 mGLU~D 187 55.37 55.89 44.96 54.39 56.08 44.94 57.31 56.26 43.46 58.40 55.74 43.20 56.11 55.41 43.79 55.22 55.42 42.51 2 0 17.83-999 ?-999 ?-999 ? O1S MES D 501 mLYS~D 188 57.09 57.58 43.43 56.15 57.87 43.61 59.21 58.48 44.29 60.40 58.45 44.01 58.18 58.49 43.15 57.70 59.88 42.64 2 0 14.45-999 ?-999 ?-999 ? O1S MES D 501 mTYR~D 189 58.75 58.38 45.53 57.75 58.38 45.58 60.52 57.12 46.74 61.69 57.28 46.87 59.61 58.29 46.69 58.87 58.53 48.00 3 0 14.04-999 ?-999 ?-999 ? O2S MES D 501 mLEU~D 190 59.96 55.94 46.59 58.96 55.95 46.58 61.56 54.66 45.22 62.59 54.11 45.28 60.74 54.75 46.46 59.92 53.49 46.67 3 0 17.44-999 ?-999 ?-999 ? O2S MES D 501 mGLU~D 191 61.13 55.26 44.13 60.16 55.49 44.13 63.30 56.26 43.42 64.37 55.85 43.09 62.02 55.53 43.03 61.31 56.29 41.91 2 0 17.10-999 ?-999 ?-999 ? O1S MES D 501 mSER~D 192 63.15 57.34 44.16 62.21 57.61 44.33 65.10 57.36 45.78 66.30 57.48 45.80 64.30 58.05 44.68 63.96 59.48 44.98 2 0 14.60-999 ?-999 ?-999 ? O3S MES D 501 mVAL~D 193 64.43 56.63 46.65 63.44 56.73 46.61 65.98 54.72 46.93 67.12 54.59 47.25 65.09 55.75 47.58 64.16 55.14 48.64 3 0 16.66-999 ?-999 ?-999 ? O2S MES D 501 mGLU~D 194 65.45 54.01 45.96 64.47 54.16 45.79 67.60 53.61 44.60 68.58 52.92 44.62 66.29 53.11 45.24 65.51 52.12 44.42 2 0 19.66-999 ?-999 ?-999 ? O3S MES D 501 mPHE~D 195 67.60 54.83 44.08 66.68 55.22 43.99 69.75 55.94 44.81 70.91 55.62 44.74 68.80 55.55 43.67 68.41 56.80 42.90 3 0 17.99-999 ?-999 ?-999 ? O3S MES D 501 mTRP~D 196 69.25 56.66 45.81 68.25 56.73 45.79 70.46 56.35 47.98 71.20 56.73 48.91 70.07 57.30 46.84 69.37 58.53 47.37 3 0 16.62-999 ?-999 ?-999 ? O3S MES D 501 mLYS~D 197 69.94 55.11 47.90 69.17 55.02 47.26 71.96 53.86 48.48 72.68 53.49 49.39 70.46 54.01 48.69 69.79 52.69 48.27 2 0 19.96-999 ?-999 ?-999 ? O3S MES D 501 mGLU.D 198 72.42 54.08 47.25 71.75 54.45 46.60 74.47 54.88 46.13 75.41 54.62 45.38 73.80 53.80 46.91 73.94 52.49 46.16 2 0 21.41-999 ?-999 ?-999 ? O3S MES D 501 mHIS^D 199 73.99 56.10 46.31 73.12 56.16 46.79 74.78 58.30 46.91 73.91 58.31 47.82 74.73 57.25 45.82 74.09 57.81 44.55 3 0 18.99-999 ?-999 ?-999 ? O3S MES D 501 mALA^D 200 75.82 59.14 46.86 76.46 58.94 46.12 76.50 61.50 47.14 77.32 61.41 46.22 75.97 60.24 47.82 76.88 59.81 48.98 2 0 17.60-999 ?-999 ?-999 ? O3S MES D 501 mILE^D 201 76.03 62.66 47.59 75.32 62.58 48.30 77.93 64.14 47.56 78.35 63.64 48.60 76.50 63.92 47.09 75.59 65.13 47.49 3 0 15.64-999 ?-999 ?-999 ? O3S MES D 501 mVAL^D 202 78.68 64.89 46.76 78.25 65.12 45.89 79.95 66.78 47.59 79.38 67.60 46.87 80.03 65.31 47.18 81.09 65.12 46.05 3 0 18.08-999 ?-999 ?-999 ? O3S MES D 501 mSER.D 203 80.52 67.09 48.73 80.95 66.33 49.20 81.47 69.40 48.57 82.56 69.01 48.14 80.49 68.45 49.25 80.76 68.43 50.75 2 0 17.75-999 ?-999 ?-999 ? O3S MES D 501 mSER.D 204 81.07 70.67 48.50 80.11 70.77 48.75 82.33 71.84 46.65 81.49 71.73 45.77 81.93 71.80 48.11 83.18 71.93 48.98 2 0 18.56-999 ?-999 ?-999 ? O3S MES D 501