HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-OCT-08 3F1T COMPND UNCHARACTERIZED PROTEIN Q9I3C8_PSEAE; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 287; SOURCE 4 STRAIN: ATCC 15692/PAO1/1C/PRS 101/LMG 12228; SOURCE 5 GENE: PA1593; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) +MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET 21-23C AUTHOR S.M.VOROBIEV,Y.CHEN,M.ABASHIDZE,J.SEETHARAMAN,D.WANG,E.L.FOOTE, AUTHOR 2 C.CICCOSANTI,L.MAO,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG,J.F.HUNT, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 63 16 HET MSE A 91 8 HET MSE A 137 8 HET MSE A 139 8 HET MSE B 63 16 HET MSE B 91 8 HET MSE B 137 8 HET MSE B 139 8 HET MSE C 63 16 HET MSE C 91 8 HET MSE C 137 8 HET MSE C 139 5 HET MSE D 63 16 HET MSE D 91 8 HET MSE D 137 8 HET MSE D 139 8 HET MG A 201 1 HET MG B 202 1 SITE 1 AC1 4 THR A 110 ASN A 112 THR D 110 ASN D 112 SITE 1 AC2 4 THR B 110 ASN B 112 THR C 110 ASN C 112 mASN~A 4 56.00 21.86 31.64 56.43 22.13 32.50 55.28 22.58 29.32 55.72 22.41 28.17 55.37 21.45 30.35 53.98 20.85 30.59 2 0 28.35-999 ?-999 ?-999 ? MG MG A 201 mPRO~A 5 54.63 23.70 29.68 54.05 23.62 30.49 56.22 25.49 29.00 56.76 25.96 28.00 54.80 24.94 28.92 53.81 25.90 29.60 3 0 26.18-999 ?-999 ?-999 ? MG MG A 201 mLEU~A 6 56.84 25.40 30.18 56.24 25.10 30.93 59.13 24.83 29.48 60.14 25.28 28.95 58.25 25.72 30.35 58.68 25.58 31.81 3 0 23.59-999 ?-999 ?-999 ? MG MG A 201 mLEU~A 7 58.75 23.57 29.35 57.93 23.33 29.86 59.54 23.11 27.07 60.55 22.95 26.39 59.49 22.63 28.52 58.87 21.25 28.60 3 0 26.61-999 ?-999 ?-999 ? MG MG A 201 mGLU~A 8 58.44 23.69 26.61 57.72 23.82 27.29 58.99 25.44 24.99 59.56 25.69 23.93 58.33 24.09 25.22 56.86 24.15 24.79 2 0 27.23-999 ?-999 ?-999 ? MG MG A 201 mARG~A 9 58.88 26.31 25.98 58.31 26.01 26.75 61.06 27.42 26.01 61.79 27.95 25.18 59.55 27.60 25.93 59.06 28.52 27.04 2 0 23.71-999 ?-999 ?-999 ? MG MG A 201 mALA~A 10 61.51 26.55 26.91 60.82 26.16 27.51 63.48 25.69 25.66 64.57 26.07 25.24 62.94 26.23 26.98 63.22 25.26 28.11 2 0 23.49-999 ?-999 ?-999 ? MG MG A 201 mARG~A 11 62.76 24.76 25.04 61.93 24.50 25.53 63.22 25.26 22.67 64.03 25.16 21.74 63.16 24.20 23.76 62.17 23.11 23.33 2 0 26.89-999 ?-999 ?-999 ? MG MG A 201 mARG~A 12 62.29 26.21 22.71 61.65 26.12 23.47 63.32 28.36 21.90 63.78 28.94 20.92 62.23 27.30 21.73 60.84 27.94 21.74 2 0 25.92-999 ?-999 ?-999 ? MG MG A 201 mPHE~A 13 63.69 28.65 23.15 63.07 28.30 23.85 66.11 28.74 22.82 66.75 29.30 21.93 64.90 29.41 23.45 65.10 29.52 24.96 3 0 22.90-999 ?-999 ?-999 ? MG MG A 201 mLEU~A 14 66.31 27.47 23.17 65.61 27.11 23.77 67.61 26.62 21.18 68.74 26.64 20.66 67.46 26.69 22.70 67.40 25.29 23.32 3 0 25.37-999 ?-999 ?-999 ? MG MG A 201 mSER~A 15 66.51 26.37 20.48 65.68 26.31 21.02 66.93 27.51 18.33 67.24 27.53 17.14 66.57 26.20 19.02 65.23 25.68 18.49 2 0 28.23-999 ?-999 ?-999 ? MG MG A 201 mALA.A 16 66.86 28.61 19.08 66.52 28.45 20.00 68.77 30.08 18.58 69.30 31.08 18.11 67.25 29.91 18.57 66.60 31.01 19.41 2 0 26.13-999 ?-999 ?-999 ? MG MG A 201 mLEU.A 17 69.46 29.14 19.23 68.91 28.38 19.57 71.61 28.33 18.42 71.50 27.12 18.51 70.90 29.24 19.42 71.27 28.85 20.85 3 0 26.25-999 ?-999 ?-999 ? MG MG A 201 mARG~A 18 72.26 28.93 17.43 72.21 29.93 17.46 74.16 27.32 16.93 74.30 26.14 16.54 73.00 28.18 16.40 73.49 29.12 15.31 2 0 29.61-999 ?-999 ?-999 ? MG MG A 201 mHIS~A 19 75.11 27.96 17.61 74.95 28.94 17.71 75.87 26.07 19.04 76.45 24.99 18.95 76.28 27.27 18.17 77.17 28.27 18.95 3 0 29.76-999 ?-999 ?-999 ? MG MG A 201 mCYH~A 20 74.77 26.22 19.78 74.38 27.14 19.76 73.60 24.02 19.69 73.28 22.92 20.20 74.22 25.11 20.55 73.17 25.62 21.52 2 0 29.00-999 ?-999 ?-999 ? MG MG A 201 mGLN~A 21 73.22 24.38 18.46 73.35 25.35 18.26 73.75 22.42 17.15 73.56 21.21 17.25 72.67 23.42 17.51 72.17 24.13 16.25 2 0 31.86-999 ?-999 ?-999 ? MG MG A 201 mVAL~A 22 74.92 22.96 16.79 74.88 23.96 16.69 76.41 21.24 17.75 76.82 20.09 17.56 76.12 22.18 16.58 77.33 23.11 16.37 3 0 34.18-999 ?-999 ?-999 ? MG MG A 201 mLEU~A 23 76.21 21.75 18.97 75.82 22.67 18.98 75.46 19.96 20.48 75.70 19.00 21.20 76.55 20.98 20.16 76.80 21.91 21.36 3 0 32.22-999 ?-999 ?-999 ? MG MG B 202 mGLY~A 24 74.29 20.11 19.86 74.24 20.92 19.28 72.71 19.12 21.48 72.29 18.07 21.98 73.21 19.16 20.05-999.99-999.99-999.99 1 0 33.60-999 ?-999 ?-999 ? MG MG A 201 mLEU.A 25 72.68 20.28 22.13 73.07 21.05 21.63 70.64 20.02 23.41 69.97 20.32 22.42 72.12 20.39 23.48 72.28 21.81 24.04 3 0 30.52-999 ?-999 ?-999 ? MG MG A 201 mTHR^A 26 70.15 19.31 24.42 70.84 18.93 25.03 68.29 19.47 25.99 69.07 19.36 26.93 68.72 19.11 24.58 68.28 17.67 24.26 2 0 30.64-999 ?-999 ?-999 ? MG MG A 201 mVAL^A 27 67.06 19.95 26.11 66.63 20.19 25.23 65.96 18.79 27.98 65.18 18.06 27.37 66.41 20.13 27.39 65.20 21.07 27.28 3 0 28.40-999 ?-999 ?-999 ? MG MG A 201 mGLU^A 28 66.42 18.50 29.19 67.06 19.17 29.57 64.82 17.50 30.80 63.98 16.63 30.94 66.01 17.28 29.87 67.18 16.67 30.63 2 0 30.16-999 ?-999 ?-999 ? MG MG A 201 mALA^A 29 64.75 18.67 31.42 65.48 19.31 31.17 63.59 20.46 32.61 64.57 21.19 32.44 63.70 18.96 32.38 63.97 18.23 33.70 2 0 28.00-999 ?-999 ?-999 ? MG MG A 201 mALA^A 30 62.41 20.92 33.02 61.71 20.22 33.13 61.06 22.62 34.28 59.91 22.75 33.90 62.20 22.35 33.28 61.95 23.09 31.98 2 0 24.73-999 ?-999 ?-999 ? MG MG A 201 mASP.A 31 61.42 22.78 35.56 62.40 22.79 35.71 60.19 24.38 36.99 60.66 25.29 36.30 60.42 22.92 36.62 60.88 22.18 37.88 2 0 23.98-999 ?-999 ?-999 ? MG MG A 201 mGLU.A 32 59.49 24.59 38.10 58.85 23.85 38.32 60.88 25.65 39.79 61.24 26.57 40.52 59.64 25.79 38.90 58.39 26.02 39.76 2 0 21.33-999 ?-999 ?-999 ? MG MG A 201 mLYS.A 33 61.53 24.49 39.69 61.13 23.84 39.05 64.02 24.57 39.72 65.05 24.88 40.35 62.73 24.22 40.48 62.75 22.75 40.94 2 0 22.12-999 ?-999 ?-999 ? MG MG A 201 mGLY.A 34 63.93 24.67 38.40 63.03 24.46 38.03 65.16 24.28 36.29 64.20 23.63 35.88 65.07 25.06 37.59-999.99-999.99-999.99 1 0 21.02-999 ?-999 ?-999 ? MG MG A 201 mLEU^A 35 66.31 24.35 35.64 67.06 24.76 36.16 67.59 22.87 34.17 68.65 23.09 34.73 66.43 23.85 34.28 66.61 25.02 33.30 3 0 22.65-999 ?-999 ?-999 ? MG MG A 201 mTHR^A 36 67.36 21.77 33.46 66.41 21.64 33.19 68.61 20.72 31.61 67.65 20.51 30.88 68.43 20.84 33.13 68.15 19.43 33.71 2 0 25.92-999 ?-999 ?-999 ? MG MG A 201 mLEU^A 37 69.86 20.81 31.17 70.53 21.06 31.88 71.22 19.44 29.69 71.84 19.07 30.68 70.21 20.58 29.78 70.81 21.85 29.17 3 0 27.32-999 ?-999 ?-999 ? MG MG A 201 mARG^A 38 71.31 18.83 28.51 70.68 19.18 27.81 73.13 18.02 27.08 72.65 18.39 26.00 72.23 17.73 28.28 71.49 16.40 28.08 2 0 30.79-999 ?-999 ?-999 ? MG MG A 201 mLEU^A 39 74.44 17.89 27.31 74.66 17.74 28.27 75.96 16.55 25.90 76.61 15.90 26.72 75.45 17.95 26.25 76.62 18.85 26.68 3 0 30.49-999 ?-999 ?-999 ? MG MG B 202 mPRO~A 40 75.63 16.07 24.69 75.04 16.65 24.13 77.65 14.81 24.02 78.14 15.72 23.35 76.14 14.77 24.26 75.39 14.49 22.96 3 0 31.81-999 ?-999 ?-999 ? MG MG B 202 mTYR~A 41 78.38 13.89 24.64 77.86 13.17 25.10 80.37 13.92 23.18 81.41 14.50 22.89 79.84 13.95 24.60 80.46 12.83 25.44 3 0 29.08-999 ?-999 ?-999 ? MG MG B 202 mSER~A 42 79.63 13.29 22.28 78.72 13.01 22.60 80.11 14.31 20.06 80.91 14.45 19.15 80.12 13.05 20.92 79.35 11.91 20.24 2 0 31.33-999 ?-999 ?-999 ? MG MG B 202 mGLN~A 43 79.28 15.28 20.44 78.78 15.09 21.29 80.16 17.56 20.05 80.22 18.62 19.44 79.12 16.50 19.66 77.71 17.06 19.82 2 0 31.61-999 ?-999 ?-999 ? MG MG B 202 mALA~A 44 80.96 17.26 21.07 80.90 16.31 21.38 83.22 17.70 22.03 83.80 18.10 23.05 81.84 18.26 21.67 81.18 18.88 22.88 2 0 27.89-999 ?-999 ?-999 ? MG MG B 202 mILE~A 45 83.73 16.80 21.20 83.14 16.58 20.42 86.17 17.15 21.04 86.06 17.89 20.06 85.05 16.18 21.42 85.21 14.86 20.59 3 0 26.57-999 ?-999 ?-999 ? MG MG B 202 mILE.A 46 87.23 17.18 21.84 87.09 16.77 22.74 89.53 16.68 21.17 89.77 15.87 22.06 88.48 17.76 21.38 89.03 18.82 22.36 3 0 24.04-999 ?-999 ?-999 ? MG MG B 202 mGLY.A 47 90.03 16.59 19.94 89.66 17.26 19.30 90.42 14.33 19.04 89.43 14.37 18.31 91.03 15.60 19.58-999.99-999.99-999.99 1 0 25.04-999 ?-999 ?-999 ? MG MG B 202 mASN.A 48 91.04 13.19 19.35 91.85 13.31 19.93 89.18 11.58 19.47 88.99 11.61 20.69 90.56 11.90 18.89 91.55 10.80 19.27 2 0 27.46-999 ?-999 ?-999 ? MG MG B 202 mPRO.A 49 88.19 11.33 18.60 88.39 11.52 17.64 87.02 9.45 19.76 86.25 9.17 20.68 86.91 10.81 19.08 86.04 10.73 17.82 3 0 29.52-999 ?-999 ?-999 ? MG MG B 202 mGLU.A 50 88.03 8.66 19.41 88.59 9.01 18.65 88.36 7.59 21.63 87.72 6.86 22.38 88.27 7.40 20.11 89.54 6.70 19.60 2 0 30.09-999 ?-999 ?-999 ? MG MG B 202 mSER.A 51 89.25 8.49 22.06 89.88 8.82 21.36 88.03 9.73 23.77 87.32 10.18 22.87 89.28 8.92 23.45 90.52 9.77 23.74 2 0 26.55-999 ?-999 ?-999 ? MG MG B 202 mGLY.A 52 87.75 9.92 25.05 88.51 9.76 25.69 86.23 11.83 25.59 85.23 12.29 26.16 86.40 10.33 25.45-999.99-999.99-999.99 1 0 26.02-999 ?-999 ?-999 ? MG MG B 202 mVAL.A 53 87.22 12.60 25.14 87.73 12.21 24.37 86.60 15.01 25.23 86.55 15.30 24.03 87.50 13.89 25.74 88.99 14.27 25.64 3 0 23.22-999 ?-999 ?-999 ? MG MG B 202 mVAL.A 54 85.79 15.54 26.14 85.87 15.12 27.05 85.64 17.95 26.04 86.34 18.14 27.03 84.89 16.64 25.85 83.68 16.63 26.82 3 0 23.64-999 ?-999 ?-999 ? MG MG B 202 mHIS~A 55 85.52 18.84 25.06 85.02 18.53 24.25 85.47 20.90 26.37 84.24 21.10 26.41 86.09 20.16 25.20 85.91 20.99 23.92 3 0 22.07-999 ?-999 ?-999 ? MG MG B 202 mGLY~A 56 86.33 21.44 27.23 87.29 21.24 27.04 85.07 23.41 27.88 84.15 23.85 28.58 85.90 22.25 28.35-999.99-999.99-999.99 1 0 19.78-999 ?-999 ?-999 ? MG MG B 202 mGLY~A 57 85.36 23.89 26.68 86.10 23.40 26.22 83.20 24.70 25.76 82.33 25.59 25.74 84.64 25.03 26.10-999.99-999.99-999.99 1 0 21.85-999 ?-999 ?-999 ? MG MG B 202 mALA~A 58 82.93 23.42 25.51 83.72 22.82 25.49 80.78 22.97 26.60 79.66 23.48 26.70 81.55 22.97 25.28 81.55 21.57 24.65 2 0 24.95-999 ?-999 ?-999 ? MG MG B 202 mILE~A 59 81.41 22.44 27.65 82.30 22.05 27.44 80.49 23.89 29.42 79.38 24.17 29.87 80.82 22.47 28.98 81.73 21.77 29.99 3 0 23.68-999 ?-999 ?-999 ? MG MG B 202 mTHR~A 60 81.39 24.82 29.11 82.22 24.46 28.68 79.93 26.78 28.65 79.15 27.55 29.21 81.15 26.23 29.38 82.37 27.07 29.02 2 0 22.98-999 ?-999 ?-999 ? MG MG B 202 mTHR~A 61 79.84 26.49 27.36 80.65 26.03 26.98 77.42 26.22 27.22 76.35 26.83 27.23 78.65 26.83 26.58 78.79 26.31 25.14 2 0 25.91-999 ?-999 ?-999 ? MG MG A 201 mLEU~A 62 77.53 24.97 27.65 78.44 24.57 27.55 75.88 25.05 29.42 74.67 25.30 29.58 76.37 24.26 28.21 76.78 22.85 28.63 3 0 26.23-999 ?-999 ?-999 ? MG MG A 201 mMETA 63 76.83 25.51 30.22 77.76 25.39 29.86 76.01 27.54 31.35 75.16 27.98 32.11 76.55 26.13 31.51 77.82 26.16 32.37 2 0 23.50-999 ?-999 ?-999 ? MG MG A 201 mASP~A 64 76.62 28.30 30.45 77.44 27.88 30.04 74.71 29.55 29.58 73.86 30.32 29.99 76.14 29.63 30.10 77.06 30.27 29.06 2 0 21.00-999 ?-999 ?-999 ? MG MG A 201 mTHR~A 65 74.45 28.57 28.72 75.23 27.98 28.52 72.07 27.92 29.14 70.91 28.31 29.07 73.13 28.38 28.13 73.17 27.38 26.97 2 0 21.78-999 ?-999 ?-999 ? MG MG A 201 mTHR~A 66 72.46 27.00 30.01 73.39 26.66 29.87 71.14 27.69 31.99 69.96 27.85 32.28 71.57 26.55 31.06 72.25 25.42 31.88 2 0 21.64-999 ?-999 ?-999 ? MG MG A 201 mCYH~A 67 72.11 28.43 32.52 73.03 28.07 32.39 70.93 30.58 32.40 69.91 31.09 32.87 71.81 29.67 33.24 73.10 30.41 33.59 2 0 18.12-999 ?-999 ?-999 ? MG MG A 201 mGLY~A 68 71.35 30.83 31.16 72.18 30.35 30.90 69.17 31.33 30.08 68.29 32.18 30.09 70.63 31.73 30.28-999.99-999.99-999.99 1 0 17.28-999 ?-999 ?-999 ? MG MG A 201 mILE~A 69 68.92 30.04 29.88 69.72 29.44 29.93 66.73 29.43 30.90 65.50 29.52 30.86 67.55 29.58 29.62 67.51 28.28 28.78 3 0 18.99-999 ?-999 ?-999 ? MG MG A 201 mSER~A 70 67.39 29.22 32.03 68.39 29.24 31.95 65.82 30.17 33.68 64.89 30.04 34.49 66.67 28.96 33.27 67.63 28.57 34.40 2 0 18.00-999 ?-999 ?-999 ? MG MG A 201 mTHR~A 71 66.10 31.31 33.07 66.90 31.27 32.48 63.81 32.31 32.90 62.95 33.02 33.42 65.30 32.51 33.26 65.88 33.71 32.47 2 0 14.75-999 ?-999 ?-999 ? MG MG A 201 mVAL~A 72 63.52 31.32 32.07 64.32 30.81 31.74 61.32 30.36 32.78 60.11 30.22 32.66 62.15 31.01 31.67 62.09 30.11 30.41 3 0 17.31-999 ?-999 ?-999 ? MG MG A 201 mCYH~A 73 61.98 29.96 33.87 62.97 30.10 33.83 60.68 30.44 35.95 60.09 30.10 36.98 61.27 29.38 35.02 62.20 28.47 35.82 2 0 17.90-999 ?-999 ?-999 ? MG MG A 201 mVAL~A 74 60.94 31.71 35.65 61.48 31.84 34.82 59.83 33.93 35.67 58.94 34.63 36.17 60.46 32.80 36.48 61.57 33.35 37.39 3 0 14.76-999 ?-999 ?-999 ? MG MG A 201 mLEU.A 75 60.28 34.12 34.44 61.13 33.65 34.23 58.35 34.21 32.94 58.52 33.21 32.24 59.55 34.96 33.49 60.46 35.39 32.33 3 0 14.23-999 ?-999 ?-999 ? MG MG A 201 mPRO.A 76 57.13 34.70 33.24 57.14 35.48 33.87 55.80 34.32 31.16 55.44 33.39 30.44 55.90 34.14 32.68 54.79 34.92 33.39 3 0 17.20-999 ?-999 ?-999 ? MG MG A 201 mASP.A 77 56.24 35.48 30.67 56.44 36.17 31.36 57.77 35.22 28.76 58.68 35.07 29.57 56.39 35.69 29.23 56.19 37.17 28.91 2 0 17.55-999 ?-999 ?-999 ? MG MG A 201 mPHE.A 78 57.92 35.04 27.45 57.10 35.21 26.91 60.03 35.77 26.36 59.64 36.44 25.39 59.19 34.61 26.89 58.98 33.57 25.80 3 0 18.28-999 ?-999 ?-999 ? MG MG A 201 mGLU.A 79 61.24 35.93 26.94 61.38 35.34 27.73 63.65 36.33 26.59 63.90 35.44 27.41 62.23 36.89 26.44 62.13 38.20 27.21 2 0 16.23-999 ?-999 ?-999 ? MG MG A 201 mILE.A 80 64.58 36.88 25.82 64.23 37.56 25.17 66.76 37.56 26.72 66.93 38.69 26.26 65.99 36.51 25.93 66.65 36.37 24.55 3 0 16.29-999 ?-999 ?-999 ? MG MG A 201 mCYH.A 81 67.29 37.15 27.87 67.21 36.17 28.04 69.44 38.15 28.54 70.16 37.20 28.84 67.94 38.09 28.79 67.66 37.69 30.23 2 0 13.12-999 ?-999 ?-999 ? MG MG A 201 mPRO.A 82 69.93 39.28 28.01 69.24 39.98 27.80 72.15 39.22 29.06 71.64 39.46 30.15 71.35 39.43 27.77 71.47 40.89 27.32 3 0 14.00-999 ?-999 ?-999 ? MG MG A 201 mTHR^A 83 73.42 38.85 28.90 73.72 38.86 27.95 74.88 39.72 30.65 75.34 40.62 29.94 74.28 38.47 30.02 75.40 37.51 29.55 2 0 14.13-999 ?-999 ?-999 ? MG MG A 201 mLEU^A 84 74.82 39.80 31.98 74.29 39.09 32.43 76.83 40.38 33.26 77.82 41.10 33.21 75.51 40.87 32.69 74.63 41.42 33.79 3 0 12.18-999 ?-999 ?-999 ? MG MG A 201 mASP^A 85 76.82 39.20 33.86 75.94 38.72 33.82 77.94 37.17 34.49 76.87 36.57 34.60 78.00 38.69 34.53 78.03 39.16 35.99 2 0 14.34-999 ?-999 ?-999 ? MG MG A 201 mLEU^A 86 79.11 36.54 34.46 79.91 37.14 34.43 80.49 34.61 35.02 81.53 35.20 34.75 79.16 35.09 34.45 78.95 34.57 33.03 3 0 17.31-999 ?-999 ?-999 ? MG MG A 201 mARG^A 87 80.41 33.73 36.01 79.50 33.64 36.41 81.36 31.48 36.41 80.31 30.96 36.78 81.57 33.00 36.46 82.03 33.47 37.85 2 0 20.02-999 ?-999 ?-999 ? MG MG A 201 mILE^A 88 82.37 30.80 35.88 83.09 31.38 35.50 83.73 28.92 36.54 84.81 29.48 36.27 82.44 29.35 35.86 82.45 28.85 34.40 3 0 19.89-999 ?-999 ?-999 ? MG MG B 202 mASP^A 89 83.61 28.04 37.53 82.67 27.78 37.75 84.76 25.98 38.19 83.79 25.36 38.63 84.78 27.50 38.22 84.82 28.01 39.66 2 0 16.97-999 ?-999 ?-999 ? MG MG B 202 mTYR^A 90 85.79 25.40 37.57 86.48 26.05 37.25 86.49 23.33 38.63 87.52 23.79 39.12 85.89 23.95 37.39 86.78 23.63 36.18 3 0 15.99-999 ?-999 ?-999 ? MG MG B 202 mMETA 91 85.85 22.27 39.12 85.04 22.02 38.59 87.19 20.38 40.00 88.09 20.05 40.76 86.26 21.55 40.32 85.03 21.02 41.05 2 0 15.89-999 ?-999 ?-999 ? MG MG B 202 mHIS.A 92 86.91 19.72 38.88 86.14 20.10 38.36 87.29 18.27 37.00 86.29 18.82 36.49 87.66 18.55 38.45 87.34 17.33 39.34 3 0 15.74-999 ?-999 ?-999 ? MG MG B 202 mPRO.A 93 88.16 17.55 36.28 88.94 17.19 36.79 86.76 16.41 34.59 86.36 15.65 35.48 87.95 17.33 34.85 89.26 16.67 34.40 3 0 16.80-999 ?-999 ?-999 ? MG MG B 202 mALA.A 94 86.18 16.50 33.40 86.57 17.20 32.80 85.55 14.19 32.78 86.72 13.96 32.49 85.07 15.62 33.01 84.39 16.16 31.76 2 0 20.56-999 ?-999 ?-999 ? MG MG B 202 mGLU.A 95 84.65 13.23 32.97 83.81 13.52 33.43 84.69 11.70 31.05 83.83 12.36 30.47 84.91 11.86 32.55 84.02 10.89 33.32 2 0 22.91-999 ?-999 ?-999 ? MG MG B 202 mPRO.A 96 85.56 10.93 30.40 86.26 10.48 30.95 84.35 9.77 28.59 84.02 8.90 29.41 85.43 10.78 28.95 86.82 10.30 28.52 3 0 24.59-999 ?-999 ?-999 ? MG MG B 202 mHIS.A 97 83.66 10.02 27.49 83.89 10.89 27.05 81.32 9.19 27.72 80.45 8.33 27.56 82.64 9.10 26.97 83.14 7.65 27.00 3 0 28.34-999 ?-999 ?-999 ? MG MG B 202 mLYS.A 98 81.15 10.26 28.49 81.92 10.90 28.50 79.29 11.81 28.93 79.97 12.83 28.87 79.92 10.46 29.25 80.19 10.32 30.75 2 0 28.57-999 ?-999 ?-999 ? MG MG B 202 mASP.A 99 78.00 11.79 28.60 77.63 10.87 28.47 77.41 13.93 29.65 77.56 13.46 30.78 77.23 13.01 28.43 75.74 12.68 28.25 2 0 29.78-999 ?-999 ?-999 ? MG MG B 202 mVAL^A 100 77.37 15.23 29.41 77.27 15.48 28.45 76.14 16.91 30.66 75.54 17.32 29.68 77.48 16.19 30.50 78.59 17.23 30.23 3 0 27.58-999 ?-999 ?-999 ? MG MG B 202 mTYR^A 101 75.62 16.90 31.88 76.14 16.37 32.55 74.70 18.96 32.87 75.68 19.08 33.60 74.39 17.62 32.19 73.49 16.78 33.08 3 0 29.40-999 ?-999 ?-999 ? MG MG B 202 mGLY^A 102 73.88 19.96 32.57 73.26 19.78 31.81 72.58 21.45 34.00 71.53 21.08 33.47 73.90 21.21 33.31-999.99-999.99-999.99 1 0 26.48-999 ?-999 ?-999 ? MG MG A 201 mPHE^A 103 72.65 21.93 35.24 73.58 21.93 35.61 71.70 23.85 36.44 72.73 24.17 37.04 71.49 22.41 35.97 71.21 21.52 37.18 3 0 24.28-999 ?-999 ?-999 ? MG MG A 201 mALA^A 104 70.72 24.71 36.19 70.01 24.35 35.58 69.35 26.37 37.39 68.33 25.78 37.03 70.70 26.06 36.75 71.03 27.08 35.69 2 0 20.48-999 ?-999 ?-999 ? MG MG A 201 mGLU^A 105 69.34 27.39 38.24 70.19 27.93 38.24 68.27 29.17 39.53 69.17 29.56 40.27 68.20 27.71 39.09 68.21 26.81 40.32 2 0 18.33-999 ?-999 ?-999 ? MG MG A 201 mCYH^A 106 67.36 29.99 39.00 66.78 29.57 38.30 67.01 31.46 40.93 66.12 30.79 41.47 67.23 31.38 39.43 66.07 32.06 38.71 2 0 14.61-999 ?-999 ?-999 ? MG MG A 201 mTYR^A 107 67.80 32.30 41.60 68.43 32.81 41.02 67.36 33.85 43.52 67.11 34.07 44.69 67.72 32.44 43.06 69.01 31.98 43.73 3 0 14.12-999 ?-999 ?-999 ? MG MG A 201 mARG^A 108 67.34 34.80 42.59 67.67 34.52 41.69 66.37 36.83 41.66 67.05 36.82 40.64 66.86 36.13 42.90 67.96 36.98 43.55 2 0 10.52-999 ?-999 ?-999 ? MG MG A 201 mVAL^A 109 65.27 37.56 41.79 64.89 37.56 42.72 64.35 39.69 41.13 63.63 39.86 42.11 64.69 38.28 40.68 63.40 37.60 40.19 3 0 8.05-999 ?-999 ?-999 ? MG MG A 201 mTHR.A 110 64.89 40.68 40.45 65.56 40.40 39.76 63.83 42.59 39.43 63.67 41.85 38.46 64.53 42.07 40.69 65.78 42.93 40.99 2 0 -4.64-999 ?-999 ?-999 ? MG MG A 201s mPRO.A 111 63.32 43.83 39.47 63.39 44.31 40.35 63.49 44.16 36.98 62.89 43.91 35.94 62.70 44.40 38.28 62.62 45.88 38.62 3 0 4.26-999 ?-999 ?-999 ? MG MG A 201 mASN.A 112 64.82 44.26 37.05 65.19 44.26 37.98 66.74 43.29 35.74 67.37 43.15 34.69 65.64 44.35 35.84 66.25 45.74 35.70 2 0 -3.82-999 ?-999 ?-999 ? MG MG A 201s mVAL^A 113 66.93 42.52 36.80 66.27 42.65 37.54 67.60 40.19 37.39 66.76 40.10 38.28 68.03 41.56 36.86 69.18 42.08 37.72 3 0 5.20-999 ?-999 ?-999 ? MG MG A 201 mILE^A 114 68.20 39.13 36.87 68.86 39.34 36.14 69.21 37.11 37.69 70.14 37.13 36.90 67.90 37.78 37.35 67.18 36.94 36.26 3 0 8.49-999 ?-999 ?-999 ? MG MG A 201 mPHE^A 115 69.33 36.62 38.92 68.53 36.77 39.50 70.29 34.45 39.35 69.25 33.98 39.81 70.53 35.93 39.34 70.97 36.41 40.72 3 0 10.79-999 ?-999 ?-999 ? MG MG A 201 mTHR^A 116 71.24 33.71 38.80 72.05 34.21 38.53 72.35 31.56 39.01 73.44 32.10 38.91 71.08 32.28 38.60 70.78 31.96 37.13 2 0 14.42-999 ?-999 ?-999 ? MG MG A 201 mARG^A 117 72.21 30.30 39.41 71.27 29.96 39.38 73.14 28.07 39.37 72.04 27.54 39.47 73.33 29.50 39.85 73.42 29.53 41.38 2 0 17.82-999 ?-999 ?-999 ? MG MG A 201 mGLY^A 118 74.21 27.41 38.96 75.06 27.94 38.96 75.42 25.29 38.57 76.41 25.81 39.08 74.09 26.02 38.55-999.99-999.99-999.99 1 0 21.34-999 ?-999 ?-999 ? MG MG A 201 mPHE^A 119 75.44 24.10 38.00 74.57 23.81 37.61 76.59 22.34 36.78 75.53 22.16 36.19 76.66 23.30 37.96 76.84 22.52 39.26 3 0 24.85-999 ?-999 ?-999 ? MG MG A 201 mALA^A 120 77.74 21.82 36.37 78.55 22.26 36.76 78.12 19.44 36.19 78.81 19.47 37.22 77.80 20.72 35.44 78.85 20.99 34.35 2 0 24.71-999 ?-999 ?-999 ? MG MG B 202 mTYR^A 121 77.52 18.34 35.77 76.86 18.47 35.03 77.66 15.92 35.36 77.25 16.15 34.22 77.83 17.04 36.36 76.96 16.79 37.59 3 0 25.55-999 ?-999 ?-999 ? MG MG B 202 mGLN.A 122 78.03 14.71 35.77 78.42 14.70 36.69 77.07 12.41 35.62 75.96 12.11 35.21 77.87 13.52 34.94 79.23 13.02 34.46 2 0 27.14-999 ?-999 ?-999 ? MG MG B 202 mASP.A 123 77.64 11.79 36.65 78.53 12.16 36.92 76.00 11.12 38.40 74.79 10.97 38.25 76.97 10.66 37.31 77.99 9.68 37.91 2 0 28.98-999 ?-999 ?-999 ? MG MG B 202 mASP.A 124 76.54 11.68 39.48 77.54 11.64 39.52 75.98 13.79 40.62 77.13 14.22 40.59 75.71 12.28 40.52 75.96 11.60 41.87 2 0 29.18-999 ?-999 ?-999 ? MG MG B 202 mPRO.A 125 74.90 14.59 40.75 74.03 14.11 40.63 75.83 16.31 42.28 76.08 17.47 42.61 75.00 16.02 41.04 73.54 16.42 41.29 3 0 28.34-999 ?-999 ?-999 ? MG MG B 202 mGLY.A 126 76.25 15.25 42.98 76.02 14.37 42.57 78.37 15.95 44.06 78.82 16.79 44.83 76.96 15.40 44.24-999.99-999.99-999.99 1 0 27.06-999 ?-999 ?-999 ? MG MG B 202 mGLN.A 127 79.06 15.45 43.04 78.59 14.73 42.52 80.41 16.59 41.35 80.91 16.01 40.39 80.40 15.93 42.72 81.40 14.77 42.74 2 0 23.53-999 ?-999 ?-999 ? MG MG B 202 mPRO.A 128 79.86 17.81 41.25 79.50 18.19 42.10 81.19 18.80 39.35 82.18 18.95 40.07 79.81 18.51 39.96 79.08 19.82 40.30 3 0 22.94-999 ?-999 ?-999 ? MG MG B 202 mILE.A 129 81.25 18.79 38.02 80.40 18.49 37.59 82.82 20.64 37.54 83.98 20.96 37.71 82.44 19.18 37.27 82.25 18.94 35.74 3 0 20.41-999 ?-999 ?-999 ? MG MG B 202 mALA^A 130 81.81 21.49 37.69 80.91 21.06 37.77 80.80 23.66 38.27 79.67 23.17 38.19 82.02 22.93 37.72 82.35 23.43 36.33 2 0 19.88-999 ?-999 ?-999 ? MG MG B 202 mHIS^A 131 81.05 24.80 38.91 82.02 24.97 39.05 79.93 26.95 38.47 80.95 27.44 38.00 79.98 25.69 39.34 80.20 26.09 40.81 3 0 21.61-999 ?-999 ?-999 ? MG MG B 202 mVAL^A 132 78.73 27.50 38.31 77.99 27.03 38.80 77.49 29.60 38.16 76.56 29.14 38.82 78.53 28.69 37.49 78.06 28.31 36.07 3 0 21.09-999 ?-999 ?-999 ? MG MG A 201 mVAL^A 133 77.76 30.91 38.13 78.65 31.14 37.74 76.80 33.00 37.62 77.82 33.29 37.01 76.82 31.89 38.64 77.27 32.47 39.99 3 0 17.43-999 ?-999 ?-999 ? MG MG A 201 mGLY^A 134 75.61 33.48 37.32 74.86 33.10 37.86 74.30 35.42 36.63 73.35 35.03 37.30 75.43 34.48 36.28-999.99-999.99-999.99 1 0 14.80-999 ?-999 ?-999 ? MG MG A 201 mALA^A 135 74.41 36.66 36.18 75.30 36.88 35.79 72.93 38.00 34.84 73.79 38.11 33.97 73.31 37.61 36.26 73.72 38.84 37.07 2 0 11.14-999 ?-999 ?-999 ? MG MG A 201 mPHE^A 136 71.64 38.23 34.64 71.09 38.24 35.47 70.14 39.66 33.32 69.36 39.82 34.25 71.09 38.46 33.31 70.36 37.21 32.83 3 0 10.55-999 ?-999 ?-999 ? MG MG A 201 mMETA 137 70.30 40.55 32.36 71.07 40.36 31.74 68.13 41.29 31.57 68.14 40.72 30.49 69.43 41.71 32.23 70.11 42.73 31.33 2 0 8.65-999 ?-999 ?-999 ? MG MG A 201 mARG^A 138 67.00 41.74 32.11 67.06 42.01 33.07 65.44 43.26 30.99 65.22 44.05 31.91 65.79 41.82 31.29 64.62 41.11 31.95 2 0 8.95-999 ?-999 ?-999 ? MG MG A 201 mMETA 139 65.51 43.63 29.71 65.70 42.88 29.08 64.81 45.10 27.86 64.91 44.11 27.12 65.30 45.02 29.31 66.59 45.84 29.49 2 0 10.00-999 ?-999 ?-999 ? MG MG A 201 mGLU^B 3 105.04 36.47 16.73 105.67 36.08 17.39 103.65 36.06 14.66 102.59 35.45 14.78 104.07 37.08 15.72 104.68 38.33 15.04 2 0 26.79-999 ?-999 ?-999 ? MG MG B 202 mASN^B 4 104.51 35.81 13.68 105.28 36.44 13.62 104.35 33.26 13.38 103.43 32.49 13.16 104.31 34.67 12.78 105.14 34.79 11.48 2 0 28.66-999 ?-999 ?-999 ? MG MG B 202 mPRO^B 5 105.41 32.92 14.14 106.14 33.59 14.29 104.25 31.43 15.69 103.55 30.42 15.71 105.38 31.57 14.68 106.74 31.42 15.38 3 0 26.14-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 6 104.01 32.47 16.48 104.59 33.27 16.31 101.58 32.49 16.88 100.64 31.85 17.35 102.97 32.41 17.50 103.17 33.50 18.55 3 0 23.39-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 7 101.50 33.18 15.75 102.36 33.60 15.46 99.89 31.99 14.35 98.72 31.59 14.35 100.26 33.31 14.99 100.41 34.38 13.91 3 0 26.04-999 ?-999 ?-999 ? MG MG B 202 mGLU^B 8 100.88 31.31 13.78 101.77 31.78 13.82 100.16 29.04 14.20 99.19 28.31 13.95 100.68 30.02 13.17 102.00 29.50 12.59 2 0 27.07-999 ?-999 ?-999 ? MG MG B 202 mARG^B 9 100.82 29.00 15.35 101.63 29.59 15.39 98.96 28.50 16.88 98.16 27.61 17.11 100.38 28.17 16.45 101.33 28.27 17.64 2 0 23.59-999 ?-999 ?-999 ? MG MG B 202 mALA^B 10 98.70 29.78 17.14 99.47 30.41 17.00 96.33 29.73 16.61 95.24 29.30 17.01 97.38 30.20 17.60 97.32 31.73 17.77 2 0 23.11-999 ?-999 ?-999 ? MG MG B 202 mARG^B 11 96.65 29.82 15.32 97.57 30.14 15.14 95.41 27.95 14.21 94.27 27.52 13.99 95.68 29.45 14.28 96.10 29.98 12.91 2 0 26.53-999 ?-999 ?-999 ? MG MG B 202 mARG^B 12 96.48 27.16 14.25 97.35 27.66 14.19 95.58 25.30 15.62 94.69 24.45 15.55 96.38 25.71 14.38 97.79 25.11 14.44 2 0 26.03-999 ?-999 ?-999 ? MG MG B 202 mPHE^B 13 95.89 25.92 16.75 96.71 26.50 16.67 93.62 26.01 17.76 92.81 25.14 18.07 95.13 25.78 17.98 95.69 26.75 19.02 3 0 22.83-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 14 93.26 27.16 17.18 94.04 27.75 16.95 91.14 26.46 16.04 89.96 26.17 16.24 91.86 27.50 16.92 91.76 28.89 16.30 3 0 24.99-999 ?-999 ?-999 ? MG MG B 202 mSER^B 15 91.86 25.93 15.05 92.80 26.26 15.00 90.87 23.65 14.78 90.04 22.92 14.24 91.29 24.96 14.12 92.26 24.68 12.97 2 0 27.76-999 ?-999 ?-999 ? MG MG B 202 mALA^B 16 91.44 23.34 15.94 92.12 24.00 16.26 89.71 22.29 17.39 89.13 21.31 17.85 91.06 22.13 16.66 92.13 21.73 17.63 2 0 25.75-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 17 89.26 23.53 17.54 89.78 24.23 17.06 86.83 23.72 17.50 86.24 24.73 17.15 88.08 23.80 18.36 88.18 25.18 19.00 3 0 25.48-999 ?-999 ?-999 ? MG MG B 202 mARG^B 18 86.50 22.50 17.08 86.90 21.76 17.62 84.19 22.72 16.26 83.47 23.24 15.41 85.62 22.30 15.93 85.66 20.84 15.45 2 0 28.99-999 ?-999 ?-999 ? MG MG B 202 mHIS^B 19 83.83 22.58 17.53 84.58 22.35 18.15 82.01 24.22 17.87 80.81 24.53 17.81 82.44 22.75 17.95 82.23 22.20 19.37 3 0 29.26-999 ?-999 ?-999 ? MG MG B 202 mCYH^B 20 82.98 25.10 17.73 83.90 24.71 17.69 83.16 27.11 16.32 83.11 28.32 16.13 82.70 26.52 17.65 83.37 27.25 18.81 2 0 29.18-999 ?-999 ?-999 ? MG MG B 202 mGLN^B 21 83.60 26.25 15.40 83.58 25.29 15.69 82.95 27.33 13.31 83.17 28.13 12.40 84.09 26.70 14.09 84.67 25.53 13.30 2 0 31.18-999 ?-999 ?-999 ? MG MG B 202 mVAL^B 22 81.74 27.10 13.80 81.75 26.53 14.63 80.35 29.10 13.43 79.70 29.78 12.63 80.51 27.60 13.20 79.31 26.83 13.78 3 0 34.05-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 23 81.10 29.61 14.39 81.67 28.92 14.84 82.04 31.85 13.87 82.01 33.08 13.90 81.12 31.03 14.77 81.58 31.16 16.23 3 0 32.11-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 24 82.86 31.19 13.06 82.81 30.19 13.14 84.86 32.66 12.87 85.38 33.65 12.35 83.75 31.91 12.15-999.99-999.99-999.99 1 0 33.54-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 25 85.23 32.20 14.06 84.78 31.35 14.34 87.56 32.88 14.12 87.83 31.93 13.38 86.22 32.90 14.88 86.36 32.18 16.22 3 0 30.20-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 26 88.25 34.02 14.10 87.79 34.80 14.52 90.61 34.72 14.44 90.24 35.51 15.31 89.59 34.10 13.49 89.61 34.92 12.17 2 0 30.16-999 ?-999 ?-999 ? MG MG B 202 mVAL^B 27 91.89 34.38 14.25 92.02 33.64 13.60 93.49 36.20 14.13 94.06 35.99 13.06 92.98 35.04 14.96 94.18 34.09 15.20 3 0 27.95-999 ?-999 ?-999 ? MG MG B 202 mGLU^B 28 93.41 37.40 14.69 93.02 37.41 15.61 95.32 38.90 14.21 96.03 39.36 13.30 93.84 38.59 13.98 92.97 39.78 14.39 2 0 29.92-999 ?-999 ?-999 ? MG MG B 202 mALA^B 29 95.79 38.66 15.43 95.12 38.27 16.06 97.56 38.13 17.01 96.71 37.74 17.80 97.17 38.96 15.79 97.33 40.45 16.09 2 0 27.82-999 ?-999 ?-999 ? MG MG B 202 mALA^B 30 98.83 37.73 17.06 99.36 37.99 16.26 100.86 37.33 18.30 101.55 37.48 17.29 99.38 36.99 18.19 99.21 35.51 17.99 2 0 24.52-999 ?-999 ?-999 ? MG MG B 202 mASP^B 31 101.33 37.56 19.52 100.64 37.56 20.25 103.01 37.74 21.23 102.10 37.50 22.04 102.74 37.78 19.74 103.17 39.13 19.16 2 0 23.48-999 ?-999 ?-999 ? MG MG B 202 mGLU^B 32 104.25 38.04 21.59 104.82 38.40 20.85 103.81 38.65 23.92 103.59 38.22 25.04 104.70 37.87 22.96 106.17 38.30 23.09 2 0 21.04-999 ?-999 ?-999 ? MG MG B 202 mLYS^B 33 103.20 39.73 23.43 103.30 39.85 22.44 100.94 40.28 24.41 100.22 40.90 25.19 102.44 40.62 24.30 102.62 42.07 23.86 2 0 21.55-999 ?-999 ?-999 ? MG MG B 202 mGLY^B 34 100.45 39.39 23.55 101.10 39.05 22.87 98.43 38.54 22.34 99.13 38.28 21.35 99.06 38.98 23.65-999.99-999.99-999.99 1 0 21.09-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 35 97.11 38.40 22.37 96.67 38.83 23.15 95.04 38.35 21.05 94.32 38.70 21.98 96.39 37.67 21.33 96.16 36.21 21.78 3 0 22.64-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 36 94.72 38.53 19.78 95.44 38.25 19.14 92.69 38.14 18.43 93.19 37.74 17.38 93.45 39.10 19.35 93.64 40.46 18.61 2 0 25.80-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 37 91.47 37.81 18.82 91.23 38.12 19.74 89.44 37.99 17.51 89.08 38.93 18.21 90.56 37.07 17.97 89.96 35.88 18.74 3 0 27.01-999 ?-999 ?-999 ? MG MG B 202 mARG^B 38 88.72 37.54 16.49 89.07 36.70 16.07 86.36 37.24 15.88 86.50 36.17 15.31 87.54 38.21 16.04 87.82 38.94 14.72 2 0 30.34-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 39 85.18 37.68 16.33 85.25 38.49 16.91 83.12 37.88 15.02 82.62 38.94 15.37 83.92 37.03 16.02 83.13 36.85 17.32 3 0 30.29-999 ?-999 ?-999 ? MG MG A 201 mPRO^B 40 82.95 37.38 13.78 83.44 36.53 13.60 80.63 38.05 13.22 80.09 36.99 13.55 82.10 38.07 12.80 82.31 37.25 11.52 3 0 31.62-999 ?-999 ?-999 ? MG MG A 201 mTYR^B 41 79.98 39.21 13.24 80.47 39.97 12.82 77.58 38.46 13.19 76.70 37.92 13.86 78.66 39.31 13.86 78.21 40.77 14.01 3 0 28.85-999 ?-999 ?-999 ? MG MG A 201 mSER^B 42 77.67 38.28 11.87 78.49 38.69 11.45 76.51 36.11 11.63 75.46 35.50 11.48 76.66 37.54 11.13 76.98 37.53 9.63 2 0 30.98-999 ?-999 ?-999 ? MG MG A 201 mGLN^B 43 77.53 35.61 12.31 78.24 36.28 12.54 77.01 33.90 14.07 76.87 32.74 14.46 77.58 34.19 12.67 79.01 33.67 12.53 2 0 31.03-999 ?-999 ?-999 ? MG MG A 201 mALA^B 44 76.55 34.95 14.74 76.49 35.80 14.21 74.86 35.59 16.47 74.63 35.95 17.62 76.16 34.85 16.15 77.27 35.35 17.03 2 0 27.32-999 ?-999 ?-999 ? MG MG A 201 mILE^B 45 74.08 35.92 15.44 74.42 35.60 14.55 71.85 35.88 16.44 71.67 34.69 16.21 72.85 36.69 15.63 72.17 37.06 14.29 3 0 26.08-999 ?-999 ?-999 ? MG MG A 201 mILE^B 46 71.15 36.57 17.34 71.44 37.52 17.48 68.76 36.75 17.83 68.80 37.99 17.79 70.05 35.95 18.07 70.36 35.84 19.58 3 0 23.63-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 47 67.68 36.03 17.48 67.71 35.06 17.71 66.80 36.91 15.33 67.51 36.14 14.67 66.54 36.67 16.81-999.99-999.99-999.99 1 0 24.23-999 ?-999 ?-999 ? MG MG A 201 mASN^B 48 66.26 38.03 14.82 65.90 38.65 15.52 67.55 38.76 12.80 68.14 39.72 13.30 66.20 38.31 13.38 65.14 39.39 13.12 2 0 26.92-999 ?-999 ?-999 ? MG MG A 201 mPRO^B 49 68.04 38.08 11.75 67.47 37.32 11.43 69.36 39.93 10.70 70.43 40.55 10.67 69.32 38.46 11.13 69.44 37.52 9.91 3 0 29.17-999 ?-999 ?-999 ? MG MG A 201 mGLU^B 50 68.18 40.51 10.45 67.39 39.90 10.59 68.50 42.87 11.11 68.90 44.00 10.83 68.07 41.90 10.01 66.63 42.19 9.56 2 0 29.49-999 ?-999 ?-999 ? MG MG A 201 mSER^B 51 68.51 42.39 12.36 68.42 41.39 12.40 70.09 43.29 14.11 70.36 44.03 15.06 68.66 43.25 13.54 67.67 42.83 14.63 2 0 25.87-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 52 70.95 42.42 13.60 70.52 41.71 13.05 72.85 42.33 15.29 73.97 42.69 15.63 72.40 42.49 13.84-999.99-999.99-999.99 1 0 26.24-999 ?-999 ?-999 ? MG MG A 201 mVAL^B 53 71.98 41.78 16.13 71.11 41.50 15.71 73.07 40.33 17.83 72.65 39.23 17.47 72.29 41.62 17.55 71.02 41.67 18.44 3 0 22.79-999 ?-999 ?-999 ? MG MG A 201 mVAL^B 54 74.23 40.49 18.47 74.45 41.44 18.69 74.67 38.71 20.14 74.49 39.38 21.16 75.08 39.36 18.82 76.57 39.79 18.90 3 0 23.04-999 ?-999 ?-999 ? MG MG A 201 mHIS^B 55 74.57 37.38 20.11 74.72 36.98 19.21 75.41 36.65 22.32 76.57 36.37 21.99 74.26 36.60 21.30 73.97 35.16 20.88 3 0 21.61-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 56 75.05 36.88 23.58 74.07 37.02 23.71 76.86 35.66 24.77 78.04 35.72 25.09 76.02 36.91 24.67-999.99-999.99-999.99 1 0 19.54-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 57 76.25 34.50 24.53 75.28 34.58 24.29 78.05 33.06 23.55 79.01 32.32 23.74 76.98 33.23 24.61-999.99-999.99-999.99 1 0 21.98-999 ?-999 ?-999 ? MG MG A 201 mALA^B 58 77.87 33.73 22.42 76.97 34.16 22.34 80.15 34.53 21.91 81.28 34.09 21.66 78.91 33.82 21.39 78.36 34.54 20.13 2 0 24.83-999 ?-999 ?-999 ? MG MG A 201 mILE^B 59 79.94 35.66 22.58 78.97 35.91 22.66 81.74 35.73 24.29 82.96 35.80 24.38 81.03 36.44 23.15 80.56 37.82 23.63 3 0 23.60-999 ?-999 ?-999 ? MG MG A 201 mTHR^B 60 81.02 34.91 25.05 80.03 34.96 24.90 82.64 33.09 25.32 83.74 32.84 25.83 81.66 34.01 26.01 80.62 33.12 26.74 2 0 23.33-999 ?-999 ?-999 ? MG MG A 201 mTHR^B 61 82.17 32.38 24.31 81.19 32.50 24.12 84.24 32.28 23.02 85.37 31.81 23.12 83.04 31.51 23.54 82.29 30.88 22.35 2 0 25.37-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 62 84.00 33.44 22.43 83.03 33.70 22.40 86.13 34.48 22.97 87.32 34.28 22.75 85.08 34.27 21.89 84.54 35.61 21.38 3 0 25.85-999 ?-999 ?-999 ? MG MG B 202 mMETB 63 85.67 34.82 24.17 84.68 34.78 24.27 87.19 34.06 26.00 88.40 34.01 26.21 86.59 35.23 25.22 85.94 36.22 26.18 2 0 23.00-999 ?-999 ?-999 ? MG MG B 202 mASP^B 64 86.37 33.05 26.31 85.39 33.24 26.21 88.03 31.31 25.81 89.10 30.91 26.25 86.94 31.79 26.75 85.86 30.70 26.90 2 0 20.57-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 65 87.72 31.28 24.51 86.78 31.57 24.31 89.91 31.77 23.39 91.05 31.31 23.33 88.69 30.86 23.47 88.04 30.84 22.08 2 0 21.48-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 66 89.68 33.07 23.36 88.72 33.33 23.34 91.75 33.82 24.54 92.96 33.85 24.35 90.79 34.03 23.36 90.26 35.49 23.32 2 0 21.39-999 ?-999 ?-999 ? MG MG B 202 mCYH^B 67 91.23 33.79 25.76 90.24 33.96 25.80 92.81 32.20 26.87 94.01 32.12 27.15 92.07 33.53 26.95 91.23 33.58 28.23 2 0 17.84-999 ?-999 ?-999 ? MG MG B 202 mGLY^B 68 92.10 31.14 26.53 91.12 31.31 26.42 93.91 29.91 25.39 95.01 29.42 25.69 92.74 29.84 26.35-999.99-999.99-999.99 1 0 16.67-999 ?-999 ?-999 ? MG MG B 202 mILE^B 69 93.69 30.53 24.24 92.81 31.00 24.16 95.87 31.43 23.47 96.97 31.25 22.96 94.70 30.48 23.20 94.09 30.74 21.82 3 0 18.65-999 ?-999 ?-999 ? MG MG B 202 mSER^B 70 95.62 32.44 24.28 94.68 32.48 24.62 97.77 32.79 25.46 98.87 33.34 25.53 96.66 33.41 24.63 96.06 34.61 25.37 2 0 17.76-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 71 97.55 31.58 25.95 96.61 31.24 25.84 99.78 30.55 25.66 100.89 30.30 26.11 98.62 30.83 26.61 98.12 29.49 27.20 2 0 14.51-999 ?-999 ?-999 ? MG MG B 202 mVAL^B 72 99.51 30.56 24.35 98.56 30.77 24.11 101.63 31.35 23.49 102.80 31.11 23.17 100.56 30.28 23.36 100.05 30.22 21.90 3 0 17.15-999 ?-999 ?-999 ? MG MG B 202 mCYH^B 73 101.26 32.49 24.06 100.33 32.49 24.44 103.25 33.39 25.11 104.21 34.14 25.15 102.16 33.62 24.10 101.41 34.90 24.45 2 0 17.64-999 ?-999 ?-999 ? MG MG B 202 mVAL^B 74 103.03 32.46 26.03 102.17 31.95 25.93 104.59 30.84 27.14 105.49 30.58 27.92 103.99 32.23 27.10 103.43 32.58 28.49 3 0 14.53-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 75 103.97 29.90 26.44 103.19 30.21 25.90 105.43 28.28 25.36 105.25 28.77 24.24 104.44 28.53 26.47 103.27 27.56 26.38 3 0 13.99-999 ?-999 ?-999 ? MG MG B 202 mPRO^B 76 106.54 27.61 25.68 106.63 27.38 26.65 107.01 26.21 23.69 107.24 26.33 22.48 107.53 27.24 24.68 108.70 26.68 25.51 3 0 16.40-999 ?-999 ?-999 ? MG MG B 202 mASP^B 77 106.21 25.27 24.16 106.02 25.33 25.14 104.18 24.40 23.07 103.48 24.94 23.92 105.67 24.24 23.29 105.97 22.86 23.85 2 0 17.16-999 ?-999 ?-999 ? MG MG B 202 mPHE^B 78 103.70 23.98 21.91 104.40 23.71 21.25 101.61 22.97 22.63 102.01 21.81 22.76 102.27 23.92 21.65 102.00 23.48 20.20 3 0 18.34-999 ?-999 ?-999 ? MG MG B 202 mGLU^B 79 100.61 23.48 23.34 100.54 24.48 23.32 98.36 23.28 24.32 98.23 24.51 24.22 99.71 22.62 24.09 100.35 22.20 25.42 2 0 16.21-999 ?-999 ?-999 ? MG MG B 202 mILE^B 80 97.35 22.46 24.54 97.59 21.49 24.49 95.73 22.89 26.31 95.91 21.84 26.93 96.00 22.96 24.81 94.95 22.14 24.05 3 0 16.31-999 ?-999 ?-999 ? MG MG B 202 mCYH^B 81 95.43 24.05 26.90 95.27 24.79 26.25 93.90 24.35 28.81 93.23 25.33 28.48 95.36 24.22 28.36 96.14 25.47 28.81 2 0 13.18-999 ?-999 ?-999 ? MG MG B 202 mPRO^B 82 93.40 23.34 29.55 94.04 22.59 29.71 91.73 24.55 30.98 92.55 24.92 31.81 92.03 23.36 30.07 91.94 22.06 30.87 3 0 13.90-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 83 90.55 25.14 30.79 90.04 24.76 30.02 89.82 25.74 33.06 89.36 24.62 33.28 90.04 26.23 31.63 88.72 26.77 31.06 2 0 14.19-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 84 90.33 26.51 34.03 90.89 27.26 33.69 88.97 27.19 35.97 88.14 26.79 36.79 90.07 26.26 35.44 91.35 26.44 36.27 3 0 12.35-999 ?-999 ?-999 ? MG MG B 202 mASP^B 85 89.02 28.46 35.56 89.72 28.62 34.86 88.00 30.59 35.01 88.96 30.89 34.30 88.13 29.50 36.07 88.68 30.12 37.36 2 0 14.48-999 ?-999 ?-999 ? MG MG B 202 mLEU^B 86 86.76 31.04 34.80 86.05 30.56 35.30 85.53 33.10 34.53 84.50 32.67 35.06 86.52 32.15 33.89 86.00 31.62 32.56 3 0 17.42-999 ?-999 ?-999 ? MG MG B 202 mARG^B 87 85.86 34.39 34.55 86.83 34.60 34.45 84.76 36.42 33.62 85.79 36.90 33.13 84.82 35.38 34.72 84.89 36.03 36.10 2 0 20.00-999 ?-999 ?-999 ? MG MG B 202 mILE^B 88 83.53 36.66 33.16 82.84 36.06 33.57 82.19 38.62 32.79 81.20 38.18 33.38 83.21 37.67 32.17 82.55 37.04 30.93 3 0 19.89-999 ?-999 ?-999 ? MG MG A 201 mASP^B 89 82.46 39.92 32.71 83.32 40.13 32.23 81.32 42.00 32.22 82.25 42.69 31.78 81.58 40.93 33.27 82.24 41.55 34.51 2 0 16.92-999 ?-999 ?-999 ? MG MG A 201 mTYR^B 90 80.08 42.06 31.75 79.46 41.42 32.20 79.51 44.38 31.23 78.85 44.58 32.24 79.69 42.97 30.68 78.38 42.49 30.03 3 0 15.92-999 ?-999 ?-999 ? MG MG A 201 mMETB 91 80.19 45.33 30.59 80.76 45.00 29.84 78.92 47.36 30.30 78.27 48.25 30.86 80.12 46.73 30.97 81.37 47.46 30.51 2 0 15.88-999 ?-999 ?-999 ? MG MG A 201 mHIS^B 92 78.74 47.03 29.03 79.39 46.37 28.67 77.36 46.72 27.07 78.13 45.81 26.77 77.65 47.61 28.25 78.00 49.03 27.80 3 0 15.66-999 ?-999 ?-999 ? MG MG A 201 mPRO^B 93 76.14 46.85 26.52 75.59 47.60 26.89 76.53 46.16 24.19 77.02 47.26 23.94 75.71 45.95 25.46 74.24 46.34 25.24 3 0 16.50-999 ?-999 ?-999 ? MG MG A 201 mALA^B 94 76.77 45.08 23.45 76.48 44.22 23.86 76.58 46.03 21.19 75.35 46.04 21.27 77.42 45.20 22.16 77.71 43.80 21.59 2 0 20.21-999 ?-999 ?-999 ? MG MG A 201 mGLU^B 95 77.24 46.78 20.31 78.22 46.85 20.47 76.15 46.43 18.13 76.90 45.50 17.85 76.54 47.44 19.19 77.42 48.51 18.55 2 0 22.39-999 ?-999 ?-999 ? MG MG A 201 mPRO^B 96 74.94 46.57 17.57 74.39 47.33 17.91 75.26 45.89 15.19 75.85 46.94 15.00 74.51 45.66 16.51 73.02 45.97 16.35 3 0 24.03-999 ?-999 ?-999 ? MG MG A 201 mHIS^B 97 75.31 44.86 14.36 74.89 44.03 14.72 77.41 45.34 13.09 77.93 45.98 12.17 75.94 44.95 13.03 75.17 45.92 12.12 3 0 27.80-999 ?-999 ?-999 ? MG MG A 201 mLYS^B 98 78.10 44.92 14.15 77.56 44.44 14.84 80.26 43.94 14.78 79.79 43.29 15.71 79.54 45.17 14.26 79.81 46.38 15.16 2 0 28.11-999 ?-999 ?-999 ? MG MG A 201 mASP^B 99 81.37 43.59 14.15 81.58 44.15 13.34 82.66 42.71 16.04 82.96 43.84 16.42 82.19 42.47 14.61 83.39 42.26 13.70 2 0 29.33-999 ?-999 ?-999 ? MG MG A 201 mVAL^B 100 82.80 41.62 16.81 82.50 40.77 16.38 84.78 41.15 18.21 85.04 40.01 17.81 83.36 41.71 18.16 82.47 40.98 19.21 3 0 27.25-999 ?-999 ?-999 ? MG MG A 201 mTYR^B 101 85.69 41.94 18.78 85.34 42.84 19.05 87.31 41.10 20.42 86.74 41.66 21.35 87.06 41.52 18.98 88.00 42.65 18.58 3 0 29.13-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 102 88.12 40.07 20.59 88.40 39.60 19.75 90.05 39.84 21.98 90.73 39.53 21.02 88.56 39.69 21.92-999.99-999.99-999.99 1 0 26.20-999 ?-999 ?-999 ? MG MG B 202 mPHE^B 103 90.55 40.41 23.08 89.86 40.81 23.68 92.26 39.82 24.72 91.46 39.95 25.64 91.98 40.44 23.35 92.50 41.88 23.33 3 0 24.10-999 ?-999 ?-999 ? MG MG B 202 mALA^B 104 93.36 39.06 24.81 93.80 38.85 23.94 95.36 38.57 26.19 96.06 38.35 25.20 93.84 38.59 26.10 93.27 37.23 26.44 2 0 20.36-999 ?-999 ?-999 ? MG MG B 202 mGLU^B 105 95.85 38.62 27.42 95.16 38.63 28.14 97.50 37.88 28.99 96.81 38.13 29.97 97.27 38.65 27.68 97.71 40.10 27.87 2 0 18.26-999 ?-999 ?-999 ? MG MG B 202 mCYH^B 106 98.42 36.91 28.98 98.77 36.70 28.07 99.57 37.19 31.15 100.48 37.90 30.73 98.85 36.24 30.21 99.75 35.05 29.89 2 0 14.52-999 ?-999 ?-999 ? MG MG B 202 mTYR^B 107 99.16 37.22 32.42 98.42 36.59 32.63 100.46 37.40 34.53 101.30 37.98 35.24 99.76 38.14 33.38 98.73 39.14 33.91 3 0 14.09-999 ?-999 ?-999 ? MG MG B 202 mARG^B 108 100.21 36.10 34.65 99.46 35.76 34.07 101.06 33.82 35.10 100.06 33.24 34.63 100.97 35.26 35.57 100.39 35.29 36.99 2 0 10.45-999 ?-999 ?-999 ? MG MG B 202 mVAL^B 109 102.25 33.25 35.23 102.94 33.87 35.60 103.19 31.17 36.05 104.22 31.61 36.52 102.53 31.87 34.87 103.49 31.78 33.67 3 0 7.96-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 110 102.53 30.15 36.57 101.58 30.06 36.27 103.48 27.91 36.81 103.20 27.76 35.62 103.16 29.23 37.51 102.26 29.00 38.75 2 0 -4.48-999 ?-999 ?-999 ? MG MG B 202s mPRO^B 111 104.16 26.98 37.50 104.40 27.22 38.44 103.34 24.97 36.22 103.52 24.34 35.17 104.51 25.72 36.86 105.14 24.93 38.00 3 0 4.21-999 ?-999 ?-999 ? MG MG B 202 mASN^B 112 102.14 25.06 36.81 102.12 25.65 37.61 99.74 25.16 35.95 98.75 24.64 35.46 100.99 24.33 36.27 100.63 23.14 37.15 2 0 -3.93-999 ?-999 ?-999 ? MG MG B 202s mVAL^B 113 99.81 26.47 36.17 100.70 26.80 36.49 99.08 28.60 35.23 100.16 29.14 35.49 98.65 27.33 35.96 97.98 27.71 37.29 3 0 5.14-999 ?-999 ?-999 ? MG MG B 202 mILE^B 114 98.28 29.01 34.26 97.56 28.36 34.02 97.22 31.17 33.81 96.11 30.66 33.81 98.45 30.32 33.60 98.67 30.17 32.09 3 0 8.37-999 ?-999 ?-999 ? MG MG B 202 mPHE^B 115 97.46 32.41 34.23 98.44 32.61 34.33 96.43 34.46 33.46 97.48 34.99 33.10 96.41 33.37 34.53 96.66 34.03 35.89 3 0 10.64-999 ?-999 ?-999 ? MG MG B 202 mTHR^B 116 95.24 34.83 32.99 94.45 34.49 33.48 94.00 36.64 31.94 93.02 36.36 32.61 95.17 35.67 31.82 95.10 34.84 30.53 2 0 14.29-999 ?-999 ?-999 ? MG MG B 202 mARG^B 117 94.20 37.85 31.43 95.10 37.99 31.02 92.99 39.42 30.08 93.96 39.62 29.35 93.18 38.87 31.49 93.64 39.98 32.43 2 0 17.68-999 ?-999 ?-999 ? MG MG B 202 mGLY^B 118 91.76 39.81 29.76 91.09 39.68 30.49 90.10 41.07 28.43 89.52 41.36 29.48 91.45 40.37 28.45-999.99-999.99-999.99 1 0 21.13-999 ?-999 ?-999 ? MG MG B 202 mPHE^B 119 89.61 41.37 27.24 90.15 41.06 26.46 87.78 41.96 25.74 88.48 41.52 24.83 88.36 42.13 27.13 88.58 43.61 27.49 3 0 24.60-999 ?-999 ?-999 ? MG MG B 202 mALA^B 120 86.46 42.06 25.64 85.97 42.02 26.51 85.56 43.69 24.01 85.22 44.50 24.87 85.79 42.22 24.36 84.48 41.46 24.33 2 0 24.57-999 ?-999 ?-999 ? MG MG A 201 mTYR^B 121 85.57 43.98 22.72 85.75 43.20 22.11 84.95 45.31 20.78 84.97 44.25 20.15 85.34 45.34 22.25 86.59 46.19 22.48 3 0 25.30-999 ?-999 ?-999 ? MG MG A 201 mGLN^B 122 84.51 46.44 20.25 84.49 47.22 20.87 84.89 47.49 18.06 85.69 47.10 17.21 84.09 46.49 18.86 82.60 46.71 18.74 2 0 26.85-999 ?-999 ?-999 ? MG MG A 201 mASP^B 123 84.70 48.77 18.34 84.12 48.95 19.13 86.76 50.03 17.97 87.71 49.63 17.29 85.33 49.79 17.51 84.53 51.10 17.56 2 0 28.92-999 ?-999 ?-999 ? MG MG A 201 mASP^B 124 86.91 50.59 19.16 86.07 50.92 19.58 88.27 50.08 21.17 87.29 50.14 21.92 88.23 50.70 19.77 88.69 52.15 19.80 2 0 29.48-999 ?-999 ?-999 ? MG MG A 201 mPRO^B 125 89.43 49.52 21.54 90.15 49.59 20.85 89.29 49.76 24.00 89.34 49.33 25.15 89.64 48.86 22.83 91.14 48.56 22.83 3 0 28.44-999 ?-999 ?-999 ? MG MG A 201 mGLY^B 126 88.94 51.01 23.72 88.74 51.18 22.75 87.72 51.82 25.71 87.87 51.96 26.93 88.88 52.03 24.75-999.99-999.99-999.99 1 0 27.26-999 ?-999 ?-999 ? MG MG A 201 mGLN^B 127 86.55 51.51 25.15 86.58 51.43 24.15 84.86 49.89 25.76 83.97 49.64 24.95 85.35 51.31 25.95 84.25 52.29 25.55 2 0 23.60-999 ?-999 ?-999 ? MG MG A 201 mPRO^B 128 85.55 48.93 26.38 86.25 49.25 27.02 83.88 47.11 26.51 83.26 47.74 27.37 85.28 47.53 26.09 86.34 46.79 26.91 3 0 22.90-999 ?-999 ?-999 ? MG MG A 201 mILE^B 129 83.36 46.10 25.83 83.95 45.75 25.11 82.04 44.76 27.41 81.09 44.82 28.18 82.04 45.55 26.10 81.63 44.61 24.98 3 0 20.28-999 ?-999 ?-999 ? MG MG A 201 mALA^B 130 83.14 44.06 27.67 83.90 44.25 27.06 84.65 42.90 29.19 85.55 42.92 28.36 83.20 43.09 28.77 82.60 41.75 28.33 2 0 19.85-999 ?-999 ?-999 ? MG MG A 201 mHIS^B 131 84.87 42.73 30.49 84.06 42.89 31.06 86.15 40.87 31.40 85.15 40.35 31.89 86.16 42.34 31.03 86.48 43.19 32.27 3 0 21.54-999 ?-999 ?-999 ? MG MG A 201 mVAL^B 132 87.31 40.22 31.27 88.09 40.81 31.06 88.72 38.44 32.12 89.75 39.04 31.82 87.41 38.77 31.43 87.41 38.05 30.06 3 0 21.01-999 ?-999 ?-999 ? MG MG B 202 mVAL^B 133 88.67 37.48 33.05 87.74 37.18 33.28 89.68 35.43 33.74 88.56 34.97 33.99 89.88 36.93 33.67 90.07 37.49 35.10 3 0 17.33-999 ?-999 ?-999 ? MG MG B 202 mGLY^B 134 90.70 34.68 33.35 91.49 35.18 32.99 91.93 32.61 33.90 92.98 33.24 33.83 90.62 33.23 33.46-999.99-999.99-999.99 1 0 14.74-999 ?-999 ?-999 ? MG MG B 202 mALA^B 135 91.86 31.35 34.32 90.93 30.98 34.33 93.00 29.27 34.02 91.92 28.71 33.81 93.04 30.60 34.74 93.02 30.38 36.24 2 0 11.09-999 ?-999 ?-999 ? MG MG B 202 mPHE^B 136 94.17 28.78 33.64 94.96 29.24 34.03 95.27 26.67 33.24 96.33 27.05 33.76 94.25 27.67 32.73 94.63 28.17 31.33 3 0 10.41-999 ?-999 ?-999 ? MG MG B 202 mMETB 137 95.01 25.40 33.00 94.20 25.23 32.44 96.90 23.90 32.48 96.53 23.45 31.40 95.88 24.35 33.51 95.02 23.16 33.93 2 0 8.67-999 ?-999 ?-999 ? MG MG B 202 mARG^B 138 98.19 24.09 32.76 98.36 24.71 33.53 99.23 21.95 32.30 99.68 21.54 33.38 99.23 23.43 31.99 100.60 24.00 32.32 2 0 8.56-999 ?-999 ?-999 ? MG MG B 202 mMETB 139 98.79 21.14 31.35 98.46 21.61 30.53 100.17 19.05 31.38 101.11 19.63 30.84 98.78 19.69 31.53 97.78 19.03 30.57 2 0 10.70-999 ?-999 ?-999 ? MG MG B 202 mPRO^C 5 95.89 20.29 66.43 94.98 20.34 66.82 97.33 20.91 64.48 98.02 21.92 64.32 97.26 20.22 65.85 97.50 18.70 65.68 3 0 26.90-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 6 96.60 20.38 63.50 96.43 19.40 63.59 95.27 22.37 62.92 95.43 23.51 62.47 96.10 21.19 62.40 95.25 20.33 61.47 3 0 23.62-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 7 94.41 22.08 63.90 94.36 21.11 64.11 94.47 24.21 65.20 94.11 25.38 65.13 93.61 23.09 64.60 92.75 22.44 65.68 3 0 26.10-999 ?-999 ?-999 ? MG MG B 202 mGLU^C 8 95.60 23.85 65.79 95.81 22.87 65.76 97.06 25.78 65.38 97.22 26.98 65.61 96.46 24.84 66.42 97.55 24.16 67.24 2 0 27.05-999 ?-999 ?-999 ? MG MG B 202 mARG^C 9 97.39 25.21 64.23 97.24 24.22 64.20 96.90 26.99 62.61 97.20 28.18 62.46 97.92 25.97 63.11 98.32 25.02 61.97 2 0 23.51-999 ?-999 ?-999 ? MG MG B 202 mALA^C 10 95.68 26.51 62.39 95.59 25.52 62.50 94.45 28.59 62.95 94.34 29.74 62.48 94.57 27.38 62.02 93.27 26.59 61.99 2 0 23.28-999 ?-999 ?-999 ? MG MG B 202 mARG^C 11 94.59 28.36 64.25 94.80 27.41 64.47 95.59 30.43 65.27 95.38 31.63 65.47 94.43 29.42 65.26 94.25 28.80 66.65 2 0 26.62-999 ?-999 ?-999 ? MG MG B 202 mARG^C 12 96.81 29.92 65.15 96.83 28.92 65.18 97.86 31.70 63.81 98.19 32.88 63.91 98.01 30.74 64.99 99.22 29.83 64.76 2 0 25.84-999 ?-999 ?-999 ? MG MG B 202 mPHE^C 13 97.43 31.15 62.68 97.25 30.17 62.76 96.18 32.99 61.67 96.39 34.15 61.33 97.22 31.90 61.44 96.73 30.92 60.35 3 0 22.83-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 14 95.08 32.61 62.32 95.06 31.65 62.58 94.44 34.67 63.52 93.92 35.78 63.44 94.00 33.54 62.60 92.81 32.81 63.21 3 0 25.18-999 ?-999 ?-999 ? MG MG B 202 mSER^C 15 95.37 34.37 64.42 95.74 33.45 64.35 96.75 36.38 64.84 96.94 37.46 65.40 95.80 35.35 65.43 96.46 34.65 66.62 2 0 27.89-999 ?-999 ?-999 ? MG MG B 202 mALA^C 16 97.46 35.98 63.78 97.36 35.01 63.58 97.47 37.97 62.32 97.98 39.06 62.05 98.29 36.88 63.00 99.10 36.10 61.97 2 0 25.86-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 17 96.23 37.64 61.97 95.94 36.74 62.27 94.89 39.70 62.10 93.78 39.63 62.63 95.39 38.57 61.21 94.23 37.83 60.54 3 0 25.63-999 ?-999 ?-999 ? MG MG B 202 mARG^C 18 95.76 40.68 62.33 96.53 40.70 61.69 94.33 42.48 63.26 93.91 43.18 64.18 95.59 41.64 63.43 96.81 42.56 63.54 2 0 29.02-999 ?-999 ?-999 ? MG MG B 202 mHIS^C 19 93.79 42.48 62.05 94.18 41.80 61.42 91.32 42.76 61.76 90.33 43.45 61.97 92.71 43.40 61.70 92.96 44.06 60.33 3 0 29.42-999 ?-999 ?-999 ? MG MG B 202 mCYH^C 20 91.27 41.43 61.62 92.12 41.02 61.29 89.81 40.64 63.42 88.82 40.06 63.88 90.06 40.67 61.93 90.17 39.23 61.43 2 0 29.00-999 ?-999 ?-999 ? MG MG B 202 mGLN^C 21 90.84 40.99 64.19 91.61 41.40 63.70 89.50 41.38 66.16 88.81 40.77 66.99 90.79 40.79 65.62 92.01 41.45 66.28 2 0 31.69-999 ?-999 ?-999 ? MG MG B 202 mVAL^C 22 89.09 42.51 65.57 89.69 42.80 64.82 86.62 42.39 65.91 85.62 42.74 66.52 87.89 43.24 65.98 87.66 44.47 65.09 3 0 34.26-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 23 86.61 41.43 64.98 87.48 41.32 64.50 85.24 39.44 65.66 84.18 38.81 65.66 85.42 40.62 64.70 85.44 40.13 63.26 3 0 32.19-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 24 86.25 39.12 66.46 87.06 39.71 66.35 86.02 36.65 66.71 85.28 35.78 67.17 86.16 38.00 67.40-999.99-999.99-999.99 1 0 33.83-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 25 86.59 36.56 65.52 87.02 37.40 65.20 87.27 34.21 65.53 88.32 34.43 66.14 86.58 35.32 64.75 87.29 35.54 63.42 3 0 30.58-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 26 86.72 33.00 65.46 85.86 32.96 64.97 87.34 30.69 65.10 86.46 30.63 64.24 87.36 31.84 66.08 86.65 31.40 67.36 2 0 30.42-999 ?-999 ?-999 ? MG MG B 202 mVAL^C 27 88.30 29.78 65.23 89.03 30.04 65.86 87.49 27.47 65.25 87.84 27.08 66.37 88.28 28.52 64.50 89.70 28.01 64.21 3 0 28.12-999 ?-999 ?-999 ? MG MG B 202 mGLU^C 28 86.45 26.96 64.60 86.40 27.25 63.65 85.91 24.60 65.03 85.77 23.78 65.93 85.49 26.07 65.21 84.11 26.31 64.59 2 0 30.01-999 ?-999 ?-999 ? MG MG B 202 mALA^C 29 86.48 24.30 63.87 86.50 25.05 63.20 87.98 23.04 62.44 87.92 23.97 61.65 87.01 22.97 63.61 85.88 21.99 63.30 2 0 27.98-999 ?-999 ?-999 ? MG MG B 202 mALA^C 30 88.83 22.02 62.30 88.73 21.31 62.99 90.39 20.56 61.10 91.06 20.07 62.00 89.84 21.98 61.24 90.96 22.94 61.53 2 0 24.66-999 ?-999 ?-999 ? MG MG B 202 mASP^C 31 90.07 19.90 59.99 89.41 20.37 59.40 91.20 18.55 58.26 91.45 19.59 57.64 90.66 18.60 59.68 89.64 17.47 59.91 2 0 23.72-999 ?-999 ?-999 ? MG MG B 202 mGLU^C 32 91.41 17.34 57.74 91.25 16.58 58.37 90.71 17.59 55.40 90.96 18.29 54.42 91.83 17.17 56.36 92.28 15.73 56.10 2 0 20.98-999 ?-999 ?-999 ? MG MG B 202 mLYS^C 33 89.47 17.33 55.79 89.41 16.94 56.72 87.94 19.08 54.82 87.30 19.48 53.85 88.32 17.59 54.94 87.12 16.75 55.38 2 0 21.66-999 ?-999 ?-999 ? MG MG B 202 mGLY^C 34 88.35 19.90 55.80 88.65 19.43 56.63 88.39 22.16 56.93 88.96 21.72 57.93 88.34 21.36 55.63-999.99-999.99-999.99 1 0 21.05-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 35 87.77 23.33 56.91 87.20 23.48 56.10 86.60 25.05 58.21 86.02 25.59 57.27 87.92 24.32 57.99 88.98 25.35 57.61 3 0 22.73-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 36 86.21 25.17 59.47 86.75 24.65 60.13 85.48 27.11 60.82 86.04 26.83 61.88 85.06 26.00 59.85 83.94 25.16 60.50 2 0 25.92-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 37 85.29 28.36 60.40 85.07 28.44 59.43 84.01 29.97 61.81 82.99 29.71 61.19 85.38 29.49 61.31 86.11 30.66 60.64 3 0 27.12-999 ?-999 ?-999 ? MG MG B 202 mARG^C 38 84.04 30.83 62.81 84.95 31.03 63.17 82.96 32.94 63.46 83.91 33.43 64.07 82.83 31.43 63.32 82.47 30.82 64.68 2 0 30.55-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 39 81.95 33.67 62.99 81.31 33.15 62.41 80.68 35.31 64.34 79.52 35.03 64.08 81.78 35.09 63.30 81.45 35.86 62.02 3 0 30.53-999 ?-999 ?-999 ? MG MG A 201 mPRO^C 40 81.03 35.78 65.54 81.99 35.94 65.73 79.19 37.28 66.09 79.84 38.29 65.82 79.91 35.99 66.45 80.58 36.14 67.82 3 0 31.96-999 ?-999 ?-999 ? MG MG A 201 mTYR^C 41 77.87 37.26 66.14 77.47 36.49 66.64 77.23 39.65 66.27 77.13 40.73 65.67 77.10 38.31 65.52 75.63 37.88 65.40 3 0 29.38-999 ?-999 ?-999 ? MG MG A 201 mSER^C 42 77.53 39.58 67.56 77.65 38.65 67.92 78.82 41.65 67.92 78.93 42.80 68.31 77.65 40.79 68.36 77.82 40.42 69.84 2 0 31.65-999 ?-999 ?-999 ? MG MG A 201 mGLN^C 43 79.72 41.08 67.12 79.47 40.17 66.80 80.90 42.40 65.36 81.80 43.15 64.97 80.96 41.77 66.75 82.16 40.81 66.86 2 0 31.39-999 ?-999 ?-999 ? MG MG A 201 mALA^C 44 79.78 42.19 64.67 79.06 41.72 65.18 78.34 43.40 63.02 77.79 43.33 61.92 79.64 42.63 63.28 79.73 41.43 62.35 2 0 27.63-999 ?-999 ?-999 ? MG MG A 201 mILE^C 45 77.87 44.14 64.03 78.49 44.23 64.80 76.53 46.02 63.13 77.38 46.89 63.30 76.53 44.75 63.97 75.97 45.12 65.37 3 0 26.75-999 ?-999 ?-999 ? MG MG A 201 mILE^C 46 75.52 46.13 62.26 75.02 45.28 62.11 73.89 47.95 62.18 72.89 47.24 62.26 75.19 47.39 61.60 75.03 47.18 60.08 3 0 24.07-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 47 73.94 49.18 62.68 74.83 49.63 62.58 72.70 49.55 64.82 73.72 49.49 65.51 72.78 49.79 63.33-999.99-999.99-999.99 1 0 25.23-999 ?-999 ?-999 ? MG MG A 201 mASN^C 48 71.48 49.45 65.34 70.75 49.54 64.67 71.74 47.84 67.17 71.35 46.84 66.56 71.26 49.22 66.77 69.78 49.35 67.10 2 0 28.17-999 ?-999 ?-999 ? MG MG A 201 mPRO^C 49 72.59 47.77 68.21 72.86 48.64 68.63 71.93 45.56 69.13 72.02 44.33 68.99 73.06 46.46 68.66 74.03 46.79 69.81 3 0 30.19-999 ?-999 ?-999 ? MG MG A 201 mGLU^C 50 70.83 46.14 69.59 70.82 47.14 69.59 69.01 44.65 68.88 68.22 43.72 69.07 69.74 45.30 70.06 68.78 46.07 70.97 2 0 31.05-999 ?-999 ?-999 ? MG MG A 201 mSER^C 51 69.34 45.08 67.67 70.09 45.74 67.65 69.37 43.41 65.83 68.79 42.71 65.01 68.65 44.60 66.47 68.48 45.72 65.45 2 0 27.40-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 52 70.63 43.22 66.19 71.03 43.99 66.70 71.59 41.74 64.40 71.81 40.60 63.99 71.37 42.00 65.89-999.99-999.99-999.99 1 0 27.42-999 ?-999 ?-999 ? MG MG A 201 mVAL^C 53 71.54 42.80 63.60 71.34 43.66 64.06 73.25 42.59 61.84 74.01 43.48 62.21 71.76 42.67 62.16 71.13 43.85 61.37 3 0 23.79-999 ?-999 ?-999 ? MG MG A 201 mVAL^C 54 73.65 41.51 61.18 72.92 40.88 60.93 75.43 42.08 59.59 74.62 42.19 58.67 75.06 41.30 60.84 75.38 39.79 60.62 3 0 23.74-999 ?-999 ?-999 ? MG MG A 201 mHIS^C 55 76.58 42.73 59.63 77.08 42.63 60.49 77.62 42.60 57.41 78.42 41.71 57.69 77.06 43.51 58.50 78.14 44.48 58.97 3 0 22.12-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 56 77.21 42.83 56.17 76.58 43.60 56.07 79.17 41.98 54.94 79.77 40.96 54.59 77.66 42.01 55.06-999.99-999.99-999.99 1 0 19.77-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 57 79.80 43.11 55.23 79.21 43.85 55.55 82.00 42.30 56.03 83.06 41.80 55.68 81.25 43.22 55.10-999.99-999.99-999.99 1 0 21.83-999 ?-999 ?-999 ? MG MG A 201 mALA^C 58 81.44 42.06 57.22 80.60 42.59 57.38 81.99 39.69 57.67 82.92 38.90 57.91 82.01 41.13 58.19 81.27 41.23 59.51 2 0 24.97-999 ?-999 ?-999 ? MG MG A 201 mILE^C 59 80.89 39.34 57.03 80.19 40.05 57.00 81.69 37.82 55.26 82.31 36.75 55.11 80.73 38.03 56.43 79.26 37.82 55.97 3 0 23.70-999 ?-999 ?-999 ? MG MG A 201 mTHR^C 60 81.94 38.88 54.51 81.41 39.70 54.74 84.31 38.58 53.97 85.03 37.68 53.52 82.91 38.81 53.42 82.82 40.06 52.53 2 0 22.83-999 ?-999 ?-999 ? MG MG A 201 mTHR^C 61 84.64 39.28 55.05 83.97 39.97 55.32 85.89 37.58 56.24 86.91 36.92 56.15 85.87 39.03 55.76 86.00 39.96 56.99 2 0 25.98-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 62 84.79 37.12 56.81 84.03 37.77 56.84 85.07 34.75 56.27 85.82 33.79 56.51 84.73 35.76 57.36 83.33 35.46 57.90 3 0 26.26-999 ?-999 ?-999 ? MG MG B 202 mMETC 63 84.49 34.95 55.09 83.98 35.80 55.02 85.99 34.03 53.36 86.59 32.99 53.06 84.60 33.97 54.01 83.50 34.22 52.97 2 0 23.57-999 ?-999 ?-999 ? MG MG B 202 mASP^C 64 86.53 35.24 53.26 85.92 35.98 53.53 88.89 34.81 53.74 89.83 34.17 53.31 87.89 35.44 52.79 88.16 36.94 52.67 2 0 21.16-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 65 88.74 35.10 55.04 87.99 35.72 55.24 89.56 32.99 56.08 90.58 32.33 56.20 89.63 34.53 56.06 89.30 35.09 57.44 2 0 21.94-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 66 88.35 32.44 55.94 87.61 33.09 55.82 88.88 30.32 54.79 89.48 29.24 54.94 88.17 30.99 55.97 86.66 30.60 55.97 2 0 21.58-999 ?-999 ?-999 ? MG MG B 202 mCYH^C 67 88.72 30.89 53.60 88.08 31.66 53.59 90.94 30.52 52.57 91.66 29.56 52.34 89.43 30.41 52.41 88.99 31.18 51.17 2 0 18.06-999 ?-999 ?-999 ? MG MG B 202 mGLY^C 68 91.42 31.69 52.98 90.72 32.39 53.14 93.51 30.98 54.17 94.71 30.69 54.07 92.85 31.91 53.17-999.99-999.99-999.99 1 0 17.05-999 ?-999 ?-999 ? MG MG B 202 mILE^C 69 92.76 30.55 55.18 91.80 30.82 55.13 93.09 28.26 55.99 93.79 27.42 56.52 93.33 29.74 56.25 92.77 30.13 57.63 3 0 18.75-999 ?-999 ?-999 ? MG MG B 202 mSER^C 70 92.09 27.95 55.18 91.54 28.73 54.86 93.05 25.92 54.13 93.05 24.71 53.85 91.83 26.56 54.79 90.66 26.49 53.83 2 0 17.83-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 71 94.04 26.73 53.77 93.89 27.70 53.99 96.08 25.41 54.09 96.98 24.69 53.68 95.23 26.22 53.12 96.09 27.34 52.52 2 0 14.69-999 ?-999 ?-999 ? MG MG B 202 mVAL^C 72 95.76 25.50 55.38 95.02 26.15 55.58 96.06 23.25 56.33 96.81 22.38 56.77 96.45 24.71 56.40 96.21 25.24 57.83 3 0 17.33-999 ?-999 ?-999 ? MG MG B 202 mCYH^C 73 94.90 22.97 55.74 94.39 23.76 55.41 95.34 20.76 54.65 95.38 19.54 54.76 94.45 21.59 55.58 93.00 21.56 55.12 2 0 17.74-999 ?-999 ?-999 ? MG MG B 202 mVAL^C 74 96.09 21.43 53.77 96.06 22.42 53.87 98.38 21.02 52.83 99.17 20.42 52.10 96.88 20.72 52.76 96.39 20.98 51.32 3 0 14.61-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 75 98.75 22.01 53.63 98.00 22.43 54.15 100.83 21.75 54.88 100.29 21.72 55.99 100.13 22.43 53.71 100.22 23.96 53.85 3 0 14.29-999 ?-999 ?-999 ? MG MG B 202 mPRO^C 76 102.02 21.18 54.64 102.37 21.30 53.70 103.01 21.29 56.90 102.65 20.91 58.01 102.75 20.44 55.67 104.07 20.08 54.98 3 0 16.70-999 ?-999 ?-999 ? MG MG B 202 mASP^C 77 103.65 22.44 56.72 103.89 22.64 55.76 103.42 24.71 57.62 102.96 25.04 56.52 103.98 23.31 57.83 105.50 23.37 58.05 2 0 18.28-999 ?-999 ?-999 ? MG MG B 202 mPHE^C 78 103.40 25.51 58.67 103.85 25.14 59.48 103.22 27.69 57.47 104.42 27.90 57.26 102.76 26.82 58.63 102.97 27.56 59.94 3 0 18.82-999 ?-999 ?-999 ? MG MG B 202 mGLU^C 79 102.25 28.28 56.76 101.33 27.99 57.01 101.29 30.09 55.44 100.17 29.58 55.44 102.53 29.25 55.71 102.98 28.56 54.42 2 0 16.24-999 ?-999 ?-999 ? MG MG B 202 mILE^C 80 101.51 31.38 55.20 102.46 31.66 55.30 100.45 32.51 53.31 101.43 33.01 52.76 100.43 32.28 54.81 100.55 33.62 55.55 3 0 16.33-999 ?-999 ?-999 ? MG MG B 202 mCYH^C 81 99.43 32.00 52.62 98.70 31.60 53.19 98.67 33.26 50.65 97.48 33.43 50.91 99.40 32.02 51.16 98.73 30.76 50.62 2 0 13.08-999 ?-999 ?-999 ? MG MG B 202 mPRO^C 82 99.38 34.13 49.93 100.34 33.89 49.83 97.60 35.04 48.43 97.60 34.05 47.71 98.80 35.34 49.34 99.95 35.90 48.50 3 0 13.74-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 83 96.66 35.99 48.37 96.85 36.79 48.93 95.80 36.05 46.04 96.39 37.06 45.66 95.48 35.84 47.53 94.37 36.83 47.95 2 0 14.05-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 84 95.36 35.11 45.20 95.02 34.27 45.64 94.05 35.79 43.22 93.99 36.69 42.39 95.40 35.32 43.75 95.85 34.05 43.03 3 0 12.02-999 ?-999 ?-999 ? MG MG B 202 mASP^C 85 92.97 35.19 43.70 93.16 34.45 44.34 90.58 35.18 44.28 90.74 34.17 44.98 91.64 35.62 43.28 91.32 35.09 41.87 2 0 14.40-999 ?-999 ?-999 ? MG MG B 202 mLEU^C 86 89.49 35.94 44.32 89.51 36.71 43.68 87.09 35.87 44.43 87.02 36.75 43.58 88.37 35.67 45.22 88.39 36.67 46.38 3 0 17.35-999 ?-999 ?-999 ? MG MG B 202 mARG^C 87 86.14 34.95 44.60 86.43 34.16 45.13 83.81 34.93 45.22 83.85 33.92 45.91 84.79 35.12 44.06 84.49 34.05 42.99 2 0 19.67-999 ?-999 ?-999 ? MG MG B 202 mILE^C 88 83.02 35.97 45.50 83.19 36.77 44.93 80.61 36.24 45.98 80.43 37.29 45.35 82.00 35.91 46.54 82.33 36.87 47.69 3 0 19.85-999 ?-999 ?-999 ? MG MG A 201 mASP^C 89 79.65 35.35 46.19 79.95 34.52 46.66 77.31 35.35 46.90 77.20 34.23 47.39 78.28 35.59 45.76 77.94 34.66 44.61 2 0 16.99-999 ?-999 ?-999 ? MG MG A 201 mTYR^C 90 76.43 36.33 47.13 76.52 37.11 46.51 74.08 35.75 47.69 73.55 36.25 46.69 75.42 36.26 48.19 75.25 37.62 48.87 3 0 15.94-999 ?-999 ?-999 ? MG MG A 201 mMETC 91 73.60 34.67 48.33 74.18 34.36 49.07 71.16 34.69 48.65 70.08 34.79 48.08 72.34 34.02 47.97 72.37 32.55 48.37 2 0 15.92-999 ?-999 ?-999 ? MG MG A 201 mHIS^C 92 71.33 35.04 49.93 72.22 34.77 50.30 70.91 36.42 51.94 72.03 36.10 52.33 70.31 35.75 50.70 69.18 34.80 51.12 3 0 15.85-999 ?-999 ?-999 ? MG MG A 201 mPRO^C 93 70.15 37.33 52.57 69.25 37.47 52.16 70.86 37.05 54.91 70.23 36.01 54.97 70.62 38.03 53.76 69.45 38.97 54.11 3 0 17.09-999 ?-999 ?-999 ? MG MG A 201 mALA^C 94 71.70 37.43 55.87 72.25 38.24 55.65 70.54 36.98 57.99 69.91 38.02 57.84 71.78 36.69 57.13 73.06 37.06 57.88 2 0 20.87-999 ?-999 ?-999 ? MG MG A 201 mGLU^C 95 70.14 36.01 58.80 70.53 35.11 58.60 69.88 37.02 61.02 71.02 36.75 61.35 69.19 36.25 59.89 68.67 34.92 60.43 2 0 23.02-999 ?-999 ?-999 ? MG MG A 201 mPRO^C 96 69.14 37.93 61.67 68.22 38.08 61.30 69.84 37.68 64.05 69.24 36.60 64.08 69.68 38.61 62.85 68.64 39.70 63.14 3 0 24.98-999 ?-999 ?-999 ? MG MG A 201 mHIS^C 97 70.73 38.03 64.97 71.34 38.78 64.68 71.31 35.93 66.20 70.96 35.09 67.04 70.80 37.38 66.29 69.45 37.42 66.99 3 0 28.75-999 ?-999 ?-999 ? MG MG A 201 mLYS^C 98 72.11 35.64 65.18 72.25 36.40 64.55 74.14 34.49 64.50 74.37 35.24 63.56 72.72 34.32 65.01 71.93 33.49 64.00 2 0 29.00-999 ?-999 ?-999 ? MG MG A 201 mASP^C 99 75.08 33.77 65.11 74.77 33.29 65.93 76.45 33.22 63.17 75.65 32.38 62.78 76.44 33.69 64.60 77.26 32.72 65.44 2 0 29.91-999 ?-999 ?-999 ? MG MG A 201 mVAL^C 100 77.46 33.65 62.43 78.05 34.32 62.88 78.90 32.28 61.03 79.94 32.61 61.62 77.67 33.17 61.08 77.85 34.34 60.09 3 0 27.69-999 ?-999 ?-999 ? MG MG A 201 mTYR^C 101 78.74 31.10 60.45 77.80 30.92 60.15 80.36 30.17 58.85 79.60 30.43 57.90 79.84 30.16 60.28 79.39 28.75 60.68 3 0 29.52-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 102 81.67 30.01 58.71 82.17 29.98 59.58 82.99 28.55 57.29 83.60 28.05 58.24 82.30 29.88 57.42-999.99-999.99-999.99 1 0 26.39-999 ?-999 ?-999 ? MG MG B 202 mPHE^C 103 82.73 27.87 56.18 82.04 28.29 55.59 84.19 26.76 54.58 83.77 27.47 53.67 83.40 26.62 55.87 82.38 25.49 55.74 3 0 24.23-999 ?-999 ?-999 ? MG MG B 202 mALA^C 104 85.34 26.09 54.51 85.63 25.65 55.36 86.95 24.79 53.17 87.43 24.24 54.18 86.11 26.05 53.27 86.97 27.29 53.10 2 0 20.46-999 ?-999 ?-999 ? MG MG B 202 mGLU^C 105 87.06 24.27 51.96 86.55 24.76 51.25 88.70 23.32 50.45 88.19 23.83 49.45 87.87 23.10 51.71 86.96 21.89 51.52 2 0 18.31-999 ?-999 ?-999 ? MG MG B 202 mCYH^C 106 89.97 22.93 50.50 90.28 22.65 51.41 90.36 21.83 48.35 90.20 20.68 48.75 90.80 22.93 49.31 92.26 22.73 49.70 2 0 14.60-999 ?-999 ?-999 ? MG MG B 202 mTYR^C 107 90.16 22.18 47.10 90.38 23.13 46.87 90.65 20.92 45.02 90.48 19.98 44.27 89.66 21.20 46.16 88.31 21.64 45.60 3 0 14.22-999 ?-999 ?-999 ? MG MG B 202 mARG^C 108 91.69 21.75 44.92 91.63 22.55 45.51 94.10 22.06 44.59 94.13 23.21 45.04 92.82 21.48 44.03 92.58 22.08 42.63 2 0 10.60-999 ?-999 ?-999 ? MG MG B 202 mVAL^C 109 95.19 21.31 44.45 95.02 20.41 44.04 97.49 21.49 43.74 97.62 20.37 43.28 96.50 21.76 44.87 96.96 21.01 46.14 3 0 8.17-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 110 98.11 22.55 43.23 97.75 23.43 43.55 100.50 22.86 42.98 100.48 23.16 44.17 99.21 22.43 42.28 98.98 23.32 41.04 2 0 -4.74-999 ?-999 ?-999 ? MG MG B 202s mPRO^C 111 101.65 22.71 42.30 101.57 22.38 41.36 102.94 24.42 43.63 103.58 24.58 44.67 102.91 23.03 42.97 103.93 22.95 41.83 3 0 4.33-999 ?-999 ?-999 ? MG MG B 202 mASN^C 112 102.29 25.42 43.02 101.80 25.15 42.19 100.95 27.45 43.76 100.88 28.57 44.26 102.31 26.77 43.58 103.26 27.68 42.79 2 0 -3.90-999 ?-999 ?-999 ? MG MG B 202s mVAL^C 113 99.87 26.71 43.54 100.06 25.77 43.24 97.61 26.32 44.50 97.67 25.10 44.34 98.53 27.27 43.72 97.88 27.68 42.37 3 0 5.13-999 ?-999 ?-999 ? MG MG B 202 mILE^C 114 96.83 26.88 45.40 96.99 27.86 45.54 94.45 26.74 45.81 94.29 27.95 45.90 95.81 26.12 46.12 96.06 26.19 47.65 3 0 8.51-999 ?-999 ?-999 ? MG MG B 202 mPHE^C 115 93.50 25.90 45.38 93.81 24.95 45.28 91.18 25.84 46.17 91.22 24.68 46.55 92.14 26.34 45.09 91.68 25.80 43.73 3 0 10.80-999 ?-999 ?-999 ? MG MG B 202 mTHR^C 116 90.41 26.76 46.73 90.52 27.68 46.35 88.10 27.00 47.49 87.99 28.01 46.82 89.48 26.44 47.82 89.93 27.04 49.16 2 0 14.49-999 ?-999 ?-999 ? MG MG B 202 mARG^C 117 87.07 26.25 47.84 87.30 25.32 48.12 85.05 26.64 49.19 85.33 25.70 49.95 85.71 26.78 47.81 84.89 26.06 46.73 2 0 17.77-999 ?-999 ?-999 ? MG MG B 202 mGLY^C 118 84.13 27.55 49.50 83.93 28.20 48.77 82.15 28.28 50.71 81.70 28.65 49.63 83.49 27.57 50.80-999.99-999.99-999.99 1 0 21.21-999 ?-999 ?-999 ? MG MG B 202 mPHE^C 119 81.49 28.41 51.86 81.95 28.01 52.65 80.00 29.61 53.37 80.79 29.31 54.26 80.19 29.08 51.94 79.06 28.11 51.56 3 0 24.78-999 ?-999 ?-999 ? MG MG B 202 mALA^C 120 79.05 30.53 53.53 78.62 30.83 52.68 77.28 30.64 55.15 76.47 30.45 54.24 78.70 31.04 54.85 78.86 32.56 54.90 2 0 24.81-999 ?-999 ?-999 ? MG MG A 201 mTYR^C 121 77.01 30.37 56.43 77.76 30.55 57.06 75.45 30.12 58.31 76.35 30.51 59.06 75.71 29.85 56.83 75.61 28.34 56.53 3 0 25.60-999 ?-999 ?-999 ? MG MG A 201 mGLN^C 122 74.21 29.91 58.74 73.57 29.59 58.04 73.43 28.92 60.90 74.17 28.43 61.76 73.86 30.16 60.13 72.90 31.33 60.27 2 0 27.24-999 ?-999 ?-999 ? MG MG A 201 mASP^C 123 72.29 28.34 60.55 71.80 28.76 59.78 72.48 25.92 60.70 73.56 25.51 61.13 71.84 27.17 61.29 70.32 27.07 61.31 2 0 29.50-999 ?-999 ?-999 ? MG MG A 201 mASP^C 124 71.88 25.42 59.62 70.99 25.84 59.41 73.26 24.91 57.63 72.93 25.98 57.10 72.47 24.35 58.82 71.38 23.38 58.34 2 0 29.80-999 ?-999 ?-999 ? MG MG A 201 mPRO^C 125 74.30 24.18 57.21 74.59 23.44 57.81 73.92 24.50 54.80 74.29 24.66 53.63 74.94 24.50 55.94 75.94 23.36 55.75 3 0 28.49-999 ?-999 ?-999 ? MG MG A 201 mGLY^C 126 72.64 24.30 55.15 72.45 24.47 56.11 71.46 24.85 53.03 71.68 24.52 51.85 71.64 23.86 54.17-999.99-999.99-999.99 1 0 27.18-999 ?-999 ?-999 ? MG MG A 201 mGLN^C 127 70.99 26.05 53.36 70.70 26.15 54.31 71.85 28.24 52.77 71.44 29.16 53.50 70.93 27.11 52.37 69.49 27.61 52.19 2 0 23.42-999 ?-999 ?-999 ? MG MG A 201 mPRO^C 128 73.11 28.18 52.33 73.31 27.43 51.69 73.69 30.56 52.39 73.06 30.79 51.36 74.10 29.15 52.76 75.36 28.73 51.99 3 0 22.89-999 ?-999 ?-999 ? MG MG A 201 mILE^C 129 74.10 31.50 53.23 74.45 31.14 54.09 74.77 33.27 51.64 74.30 34.07 50.85 74.04 32.93 52.94 74.64 33.73 54.12 3 0 20.38-999 ?-999 ?-999 ? MG MG A 201 mALA^C 130 75.92 32.64 51.41 76.11 31.88 52.04 77.74 31.89 49.94 78.07 31.05 50.78 76.81 33.03 50.32 77.63 34.23 50.73 2 0 19.92-999 ?-999 ?-999 ? MG MG A 201 mHIS^C 131 78.23 31.94 48.70 77.82 32.66 48.14 80.53 31.82 47.91 80.45 32.92 47.41 79.26 31.04 48.21 78.79 30.35 46.94 3 0 21.59-999 ?-999 ?-999 ? MG MG A 201 mVAL^C 132 81.69 31.22 48.18 81.59 30.31 48.57 83.96 30.86 47.26 83.99 29.68 47.61 82.98 31.86 47.91 83.59 32.41 49.22 3 0 21.16-999 ?-999 ?-999 ? MG MG B 202 mVAL^C 133 84.67 31.33 46.23 84.40 32.24 45.92 87.03 31.39 45.62 86.98 32.60 45.45 85.75 30.55 45.62 85.42 30.17 44.16 3 0 17.51-999 ?-999 ?-999 ? MG MG B 202 mGLY^C 134 88.17 30.75 45.85 88.09 29.76 45.94 90.61 30.65 45.57 90.57 29.43 45.67 89.41 31.50 45.96-999.99-999.99-999.99 1 0 14.76-999 ?-999 ?-999 ? MG MG B 202 mALA^C 135 91.65 31.31 45.08 91.48 32.29 44.95 94.02 31.39 45.53 93.98 32.60 45.63 92.92 30.65 44.77 93.19 30.71 43.25 2 0 11.08-999 ?-999 ?-999 ? MG MG B 202 mPHE^C 136 95.03 30.66 46.00 95.00 29.69 45.76 97.45 30.75 46.42 97.58 29.65 45.92 96.07 31.27 46.81 95.81 31.01 48.30 3 0 10.42-999 ?-999 ?-999 ? MG MG B 202 mMETC 137 98.47 31.59 46.60 98.23 32.45 47.04 100.61 30.60 47.29 100.68 31.16 48.38 99.82 31.24 46.17 100.56 32.49 45.70 2 0 8.52-999 ?-999 ?-999 ? MG MG B 202 mARG^C 138 101.33 29.52 46.98 101.28 29.25 46.02 103.60 28.78 47.67 104.00 29.17 46.57 102.11 28.83 48.01 101.58 27.41 48.21 2 0 8.70-999 ?-999 ?-999 ? MG MG B 202 mMETC 139 104.38 28.18 48.56 103.86 27.70 49.27 106.39 29.62 48.30 105.62 30.59 48.20 105.85 28.21 48.52 106.41 27.22 47.46 2 0 9.94-999 ?-999 ?-999 ? MG MG B 202 mASN^D 4 82.71 67.55 47.12 82.83 67.13 46.22 81.42 67.51 49.26 81.69 66.91 50.29 82.53 68.19 48.45 82.28 69.69 48.32 2 0 28.90-999 ?-999 ?-999 ? MG MG A 201 mPRO^D 5 80.16 67.58 48.77 80.07 68.07 47.90 79.07 65.46 49.40 78.64 64.77 50.34 79.04 66.98 49.50 77.80 67.52 48.76 3 0 26.53-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 6 79.51 64.94 48.26 79.64 65.62 47.53 80.89 63.08 49.01 80.89 61.95 49.51 79.78 63.52 48.08 80.22 63.23 46.64 3 0 23.71-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 7 81.93 63.90 49.09 81.86 64.74 48.55 82.65 63.41 51.37 82.88 62.35 51.95 83.08 63.59 49.92 84.15 64.67 49.80 3 0 26.44-999 ?-999 ?-999 ? MG MG A 201 mGLU^D 8 81.89 64.37 51.89 81.66 65.12 51.27 80.39 63.20 53.50 80.35 62.60 54.57 81.44 64.28 53.27 81.00 65.64 53.85 2 0 27.49-999 ?-999 ?-999 ? MG MG A 201 mARG^D 9 79.69 62.81 52.44 79.81 63.37 51.62 79.57 60.33 52.48 79.22 59.38 53.19 78.81 61.65 52.53 77.72 61.66 51.47 2 0 23.97-999 ?-999 ?-999 ? MG MG A 201 mALA^D 10 80.56 60.24 51.60 80.63 61.01 50.97 82.12 58.89 52.97 82.15 57.78 53.50 81.45 59.10 51.60 82.48 59.23 50.49 2 0 23.42-999 ?-999 ?-999 ? MG MG A 201 mARG^D 11 82.56 59.98 53.60 82.37 60.84 53.11 82.35 59.41 55.99 82.82 58.89 57.01 83.26 59.91 54.88 83.82 61.28 55.26 2 0 26.83-999 ?-999 ?-999 ? MG MG A 201 mARG^D 12 81.05 59.62 55.81 80.81 60.01 54.93 79.64 57.85 56.77 79.61 57.16 57.79 80.08 59.31 56.85 78.89 60.26 56.78 2 0 25.95-999 ?-999 ?-999 ? MG MG A 201 mPHE^D 13 79.39 57.38 55.55 79.27 58.09 54.86 80.46 55.17 55.90 80.27 54.13 56.51 79.31 55.95 55.25 79.32 55.75 53.73 3 0 22.82-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 14 81.66 55.74 55.82 81.65 56.69 55.49 83.14 55.10 57.70 83.77 54.21 58.27 82.87 55.03 56.19 84.07 55.57 55.41 3 0 25.26-999 ?-999 ?-999 ? MG MG A 201 mSER^D 15 82.70 56.19 58.33 82.26 56.86 57.73 82.05 55.32 60.54 82.47 54.86 61.60 82.86 56.37 59.78 82.41 57.77 60.20 2 0 28.25-999 ?-999 ?-999 ? MG MG A 201 mALA^D 16 80.96 54.87 59.92 80.86 55.21 58.98 80.40 52.49 60.48 79.74 51.64 61.06 80.00 53.97 60.56 78.63 54.16 59.94 2 0 26.49-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 17 81.44 52.19 59.69 81.77 52.96 59.14 83.14 50.73 60.68 84.04 51.57 60.72 82.02 50.85 59.65 82.57 50.56 58.26 3 0 26.12-999 ?-999 ?-999 ? MG MG A 201 mARG^D 18 83.09 49.67 61.48 82.34 49.05 61.27 85.40 48.95 62.04 86.46 49.53 62.33 84.06 49.46 62.57 83.50 48.42 63.55 2 0 29.42-999 ?-999 ?-999 ? MG MG A 201 mHIS^D 19 85.35 47.78 61.39 84.44 47.39 61.35 87.34 48.16 60.00 88.56 48.20 60.08 86.53 47.15 60.81 86.10 45.98 59.91 3 0 29.46-999 ?-999 ?-999 ? MG MG A 201 mCYH^D 20 86.63 49.02 59.27 85.64 48.89 59.31 88.07 51.06 59.32 89.15 51.48 58.93 87.29 50.05 58.49 86.26 50.74 57.62 2 0 28.62-999 ?-999 ?-999 ? MG MG A 201 mGLN^D 21 87.55 51.37 60.50 86.68 50.91 60.70 89.44 51.68 62.07 90.45 52.36 62.25 88.21 52.30 61.42 87.23 52.82 62.47 2 0 31.68-999 ?-999 ?-999 ? MG MG A 201 mVAL^D 22 89.40 50.38 62.33 88.50 49.95 62.22 91.67 49.61 61.65 92.86 49.78 61.91 90.61 49.66 62.74 90.29 48.23 63.22 3 0 33.87-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 23 91.24 49.42 60.41 90.26 49.22 60.33 92.66 50.94 59.10 93.67 51.16 58.44 92.14 49.51 59.27 91.42 49.06 58.00 3 0 32.08-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 24 91.93 51.91 59.63 91.15 51.59 60.17 92.00 53.80 58.02 92.74 54.64 57.51 92.25 53.32 59.43-999.99-999.99-999.99 1 0 33.53-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 25 91.00 53.23 57.36 90.56 52.49 57.87 90.15 55.14 56.04 89.43 55.57 56.94 90.58 53.67 56.03 89.42 52.80 55.54 3 0 30.34-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 26 90.54 55.90 55.02 91.19 55.45 54.39 89.60 57.49 53.42 90.05 56.82 52.50 90.06 57.26 54.84 91.13 58.30 55.20 2 0 30.41-999 ?-999 ?-999 ? MG MG A 201 mVAL^D 27 88.75 58.48 53.22 88.43 58.94 54.05 89.33 59.84 51.29 89.41 60.97 51.77 88.33 58.84 51.88 86.91 59.47 51.86 3 0 28.31-999 ?-999 ?-999 ? MG MG A 201 mGLU^D 28 90.13 59.41 50.32 90.00 58.45 50.08 90.47 61.31 48.76 90.88 62.48 48.73 91.12 60.28 49.68 92.11 59.46 48.85 2 0 30.31-999 ?-999 ?-999 ? MG MG A 201 mALA^D 29 89.61 60.82 47.88 89.49 59.83 47.94 87.51 61.12 46.66 87.27 59.92 46.77 88.91 61.67 46.91 89.69 61.74 45.60 2 0 28.39-999 ?-999 ?-999 ? MG MG A 201 mALA^D 30 86.59 62.01 46.31 86.89 62.96 46.35 84.62 62.67 45.07 84.58 63.83 45.47 85.25 61.59 45.92 84.40 61.30 47.14 2 0 25.28-999 ?-999 ?-999 ? MG MG A 201 mASP^D 31 84.23 62.31 43.86 84.56 61.42 43.55 82.37 62.36 42.26 82.15 61.19 42.54 83.37 63.18 43.06 84.21 64.05 42.12 2 0 24.37-999 ?-999 ?-999 ? MG MG A 201 mGLU^D 32 81.73 63.01 41.29 81.95 63.98 41.24 81.46 61.20 39.64 80.84 60.17 39.37 80.78 62.35 40.40 80.17 63.38 39.43 2 0 21.73-999 ?-999 ?-999 ? MG MG A 201 mLYS^D 33 82.77 61.34 39.41 83.15 62.19 39.78 83.64 58.96 39.40 83.78 57.93 38.74 83.55 60.32 38.69 84.96 60.86 38.34 2 0 22.25-999 ?-999 ?-999 ? MG MG A 201 mGLY^D 34 83.64 58.96 40.73 83.43 59.84 41.15 84.71 58.02 42.76 84.87 59.17 43.13 83.93 57.74 41.49-999.99-999.99-999.99 1 0 21.11-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 35 85.19 56.98 43.42 85.24 56.13 42.90 87.00 56.53 45.04 87.25 55.39 44.69 85.61 57.11 44.81 84.59 56.42 45.72 3 0 22.78-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 36 87.86 57.29 45.72 87.53 58.21 45.92 89.33 56.71 47.64 89.19 57.70 48.36 89.18 56.80 46.12 90.34 57.64 45.53 2 0 26.03-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 37 89.64 55.52 48.13 89.77 54.81 47.42 91.26 54.97 49.82 91.97 54.48 48.93 89.79 55.27 49.55 88.91 54.08 49.97 3 0 27.10-999 ?-999 ?-999 ? MG MG A 201 mARG^D 38 91.74 55.32 51.01 91.08 55.81 51.59 93.20 53.93 52.48 92.60 54.07 53.55 93.10 55.00 51.40 93.85 56.24 51.88 2 0 30.59-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 39 94.16 53.03 52.31 94.61 53.08 51.42 95.95 52.26 53.79 96.87 52.07 53.01 94.50 52.06 53.35 94.30 50.62 52.85 3 0 30.38-999 ?-999 ?-999 ? MG MG B 202 mPRO^D 40 96.14 52.80 55.01 95.33 53.02 55.55 98.25 51.70 55.60 97.64 50.71 56.00 97.52 53.02 55.43 97.37 53.77 56.77 3 0 31.64-999 ?-999 ?-999 ? MG MG B 202 mTYR^D 41 99.49 51.63 55.13 99.85 52.50 54.78 100.41 49.80 56.56 100.37 48.58 56.74 100.23 50.38 55.15 101.58 50.51 54.45 3 0 29.00-999 ?-999 ?-999 ? MG MG B 202 mSER^D 42 100.56 50.67 57.56 100.44 51.63 57.30 99.78 49.35 59.49 100.04 48.34 60.14 100.88 50.23 58.92 101.17 51.43 59.83 2 0 31.01-999 ?-999 ?-999 ? MG MG B 202 mGLN^D 43 98.55 49.62 59.06 98.52 50.32 58.34 97.05 47.66 58.85 96.14 46.90 59.23 97.37 48.96 59.60 96.18 49.92 59.55 2 0 30.73-999 ?-999 ?-999 ? MG MG B 202 mALA^D 44 97.83 47.38 57.81 98.60 48.01 57.69 98.61 45.12 57.16 98.38 43.96 56.79 97.59 46.24 56.93 97.61 46.68 55.47 2 0 26.94-999 ?-999 ?-999 ? MG MG B 202 mILE^D 45 99.72 45.46 57.81 99.71 46.39 58.17 100.44 43.27 58.66 99.85 43.30 59.74 100.86 44.55 57.95 102.01 45.22 58.74 3 0 26.08-999 ?-999 ?-999 ? MG MG B 202 mILE^D 46 100.75 42.13 58.04 101.06 42.25 57.10 102.04 40.24 58.92 102.90 40.33 58.05 100.64 40.84 58.71 99.73 39.89 57.89 3 0 24.14-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 47 102.31 39.82 60.15 101.54 39.89 60.79 104.61 40.39 60.96 104.21 41.44 61.47 103.63 39.31 60.51-999.99-999.99-999.99 1 0 24.77-999 ?-999 ?-999 ? MG MG B 202 mASN^D 48 105.90 40.08 60.84 106.06 39.15 60.52 106.75 42.40 60.51 106.63 42.50 59.29 106.98 41.03 61.16 108.32 40.44 60.71 2 0 26.73-999 ?-999 ?-999 ? MG MG B 202 mPRO^D 49 106.64 43.46 61.35 106.77 43.23 62.31 107.50 45.41 60.01 107.25 46.33 59.20 106.37 44.82 60.86 106.19 45.63 62.15 3 0 28.74-999 ?-999 ?-999 ? MG MG B 202 mGLU^D 50 108.72 44.89 60.20 108.77 44.21 60.93 109.87 44.61 58.01 110.26 45.22 57.00 109.86 45.29 59.38 111.18 45.02 60.13 2 0 28.81-999 ?-999 ?-999 ? MG MG B 202 mSER^D 51 109.49 43.33 57.98 109.40 42.91 58.88 108.01 43.22 56.01 108.12 43.73 54.89 109.23 42.63 56.72 109.00 41.13 56.97 2 0 25.03-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 52 106.85 43.12 56.65 106.78 42.32 57.26 104.81 43.70 55.36 104.27 44.56 54.65 105.78 44.10 56.46-999.99-999.99-999.99 1 0 25.07-999 ?-999 ?-999 ? MG MG B 202 mVAL^D 53 104.58 42.40 55.22 105.01 41.82 55.91 102.29 42.28 54.31 101.68 41.99 55.34 103.76 41.89 54.13 103.89 40.36 53.97 3 0 21.63-999 ?-999 ?-999 ? MG MG B 202 mVAL^D 54 101.77 43.06 53.37 102.40 43.29 52.63 99.41 42.37 53.21 99.61 41.55 52.31 100.39 43.52 53.45 100.13 44.66 52.44 3 0 22.38-999 ?-999 ?-999 ? MG MG B 202 mHIS^D 55 98.40 42.26 54.07 98.31 43.03 54.70 96.44 41.26 52.99 95.79 42.30 52.90 97.51 41.11 54.07 96.85 40.94 55.43 3 0 21.29-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 56 96.25 40.22 52.18 96.90 39.46 52.32 93.88 40.65 51.80 93.16 41.47 51.23 95.19 40.21 51.19-999.99-999.99-999.99 1 0 19.43-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 57 93.61 40.21 53.03 94.37 39.71 53.46 92.00 41.91 53.83 90.83 42.32 53.77 92.32 40.44 53.66-999.99-999.99-999.99 1 0 22.16-999 ?-999 ?-999 ? MG MG B 202 mALA^D 58 93.03 42.71 54.10 93.91 42.24 54.11 92.53 44.88 53.06 91.67 45.77 53.03 92.86 44.15 54.36 94.11 44.73 54.99 2 0 24.97-999 ?-999 ?-999 ? MG MG B 202 mILE^D 59 93.06 44.34 51.96 93.67 43.57 52.15 91.40 44.43 50.11 90.70 45.25 49.53 92.79 44.83 50.62 93.89 44.40 49.65 3 0 23.59-999 ?-999 ?-999 ? MG MG B 202 mTHR^D 60 90.93 43.25 50.52 91.59 42.70 51.03 88.58 43.76 50.91 87.54 44.11 50.33 89.57 42.83 50.24 89.28 41.40 50.75 2 0 23.30-999 ?-999 ?-999 ? MG MG B 202 mTHR^D 61 88.85 44.10 52.17 89.65 43.65 52.57 88.04 46.39 52.18 86.99 47.01 51.96 88.01 45.05 52.88 88.43 45.21 54.35 2 0 25.47-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 62 89.24 46.87 51.90 90.00 46.33 52.27 88.54 48.13 49.87 87.83 49.10 49.65 89.41 48.09 51.12 90.88 48.29 50.75 3 0 25.87-999 ?-999 ?-999 ? MG MG A 201 mMETD 63 88.59 47.07 49.06 89.10 46.29 49.43 86.43 46.83 47.81 85.65 47.50 47.12 87.94 47.08 47.75 88.62 46.09 46.81 2 0 23.06-999 ?-999 ?-999 ? MG MG A 201 mASP^D 64 86.02 45.96 48.74 86.75 45.45 49.18 83.97 47.08 49.58 82.93 47.53 49.07 84.59 45.79 49.05 84.34 44.63 50.03 2 0 20.56-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 65 84.68 47.75 50.47 85.54 47.31 50.74 84.21 50.16 49.97 83.32 51.00 49.95 84.21 49.03 51.01 85.04 49.45 52.22 2 0 21.47-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 66 85.29 50.25 49.20 86.03 49.63 49.42 84.20 51.01 47.10 83.55 51.97 46.70 85.33 51.21 48.11 86.69 51.19 47.40 2 0 21.44-999 ?-999 ?-999 ? MG MG A 201 mCYH^D 67 84.01 49.77 46.65 84.67 49.10 47.00 81.58 49.80 46.31 80.84 50.61 45.74 82.94 49.45 45.72 82.98 47.98 45.30 2 0 17.98-999 ?-999 ?-999 ? MG MG A 201 mGLY^D 68 81.34 49.34 47.53 82.06 48.74 47.88 79.86 51.17 48.37 78.73 51.63 48.15 80.12 49.68 48.27-999.99-999.99-999.99 1 0 16.75-999 ?-999 ?-999 ? MG MG A 201 mILE^D 69 80.84 51.94 48.82 81.73 51.49 48.93 80.51 54.18 47.85 79.93 55.26 47.83 80.58 53.35 49.12 81.64 53.94 50.07 3 0 18.71-999 ?-999 ?-999 ? MG MG A 201 mSER^D 70 81.05 53.65 46.76 81.44 52.74 46.88 79.64 54.59 45.03 79.35 55.50 44.24 81.06 54.39 45.51 81.91 53.67 44.46 2 0 17.93-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 71 78.71 53.81 45.61 79.08 53.13 46.24 76.76 55.37 45.64 75.83 55.85 44.99 77.29 53.97 45.31 76.43 52.93 46.04 2 0 14.72-999 ?-999 ?-999 ? MG MG A 201 mVAL^D 72 77.44 56.07 46.55 78.21 55.59 46.95 77.15 58.39 45.73 76.49 59.42 45.70 77.04 57.43 46.90 77.82 57.98 48.09 3 0 17.34-999 ?-999 ?-999 ? MG MG A 201 mCYH^D 73 77.96 58.03 44.74 78.49 57.20 44.90 76.74 58.83 42.72 76.58 59.62 41.80 78.05 58.84 43.52 79.18 58.36 42.61 2 0 17.79-999 ?-999 ?-999 ? MG MG A 201 mVAL^D 74 75.91 57.81 42.93 76.18 57.20 43.68 73.41 57.64 42.88 72.33 57.60 42.29 74.72 57.64 42.10 74.81 56.38 41.22 3 0 14.55-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 75 73.50 57.61 44.21 74.44 57.60 44.56 72.13 58.97 45.70 72.97 59.40 46.49 72.32 57.61 45.05 72.45 56.54 46.13 3 0 14.26-999 ?-999 ?-999 ? MG MG A 201 mPRO^D 76 70.99 59.62 45.43 70.36 59.12 44.83 70.66 61.00 47.49 71.33 61.83 48.10 70.71 60.96 45.95 69.34 61.29 45.36 3 0 16.97-999 ?-999 ?-999 ? MG MG A 201 mASP^D 77 69.94 60.06 48.10 69.48 59.42 47.48 70.84 59.00 50.12 71.23 58.06 49.44 69.85 60.01 49.56 68.43 59.67 50.02 2 0 17.77-999 ?-999 ?-999 ? MG MG A 201 mPHE^D 78 71.21 59.18 51.39 70.86 60.02 51.81 71.40 56.85 52.14 70.29 56.72 52.66 72.07 58.22 52.07 72.41 58.72 53.48 3 0 18.62-999 ?-999 ?-999 ? MG MG A 201 mGLU^D 79 72.08 55.83 51.63 72.84 56.07 51.04 72.85 53.49 51.81 73.73 53.66 50.96 71.70 54.46 51.95 70.50 54.00 51.11 2 0 16.18-999 ?-999 ?-999 ? MG MG A 201 mILE^D 80 72.85 52.46 52.65 72.11 52.49 53.34 73.33 50.25 51.68 72.22 49.74 51.85 73.83 51.38 52.58 74.15 50.81 53.98 3 0 16.18-999 ?-999 ?-999 ? MG MG A 201 mCYH^D 81 74.14 49.92 50.67 75.00 50.43 50.64 74.60 47.62 49.96 75.80 47.60 49.70 73.78 48.88 49.72 74.00 49.37 48.29 2 0 13.10-999 ?-999 ?-999 ? MG MG A 201 mPRO^D 82 73.95 46.56 50.49 72.98 46.72 50.66 75.21 44.68 49.51 74.62 44.80 48.43 74.61 45.30 50.77 73.46 44.42 51.29 3 0 14.13-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 83 76.38 44.06 49.67 76.75 44.13 50.60 76.20 42.21 48.08 75.60 41.47 48.87 77.06 43.35 48.60 78.42 42.80 49.10 2 0 14.35-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 84 76.07 42.09 46.76 76.47 42.85 46.24 76.42 39.96 45.59 76.26 38.74 45.71 75.41 40.94 46.15 74.45 41.38 45.05 3 0 12.34-999 ?-999 ?-999 ? MG MG A 201 mASP^D 85 77.48 40.49 45.00 77.44 41.48 44.91 79.83 40.53 44.38 79.74 41.76 44.31 78.58 39.67 44.52 78.22 38.96 43.20 2 0 14.59-999 ?-999 ?-999 ? MG MG A 201 mLEU^D 86 80.98 39.90 44.54 80.88 38.92 44.73 83.27 39.69 43.74 83.21 38.46 43.87 82.26 40.59 44.44 82.75 40.95 45.84 3 0 17.41-999 ?-999 ?-999 ? MG MG A 201 mARG^D 87 84.12 40.29 42.90 83.92 41.25 42.74 86.51 40.38 42.45 86.55 41.55 42.06 85.25 39.56 42.31 85.01 39.29 40.81 2 0 20.01-999 ?-999 ?-999 ? MG MG A 201 mILE^D 88 87.57 39.75 42.93 87.41 38.80 43.20 89.90 39.52 42.39 89.99 38.34 42.71 88.86 40.41 43.04 89.22 40.61 44.53 3 0 19.66-999 ?-999 ?-999 ? MG MG B 202 mASP^D 89 90.74 40.12 41.54 90.55 41.08 41.37 93.13 40.18 41.04 93.26 41.30 40.51 91.83 39.39 40.91 91.51 39.12 39.43 2 0 16.79-999 ?-999 ?-999 ? MG MG B 202 mTYR^D 90 94.06 39.64 41.81 93.75 38.81 42.28 96.25 40.06 40.70 96.36 38.96 40.15 95.40 40.21 41.95 96.11 39.57 43.12 3 0 15.84-999 ?-999 ?-999 ? MG MG B 202 mMETD 91 96.88 41.15 40.29 96.61 41.98 40.77 99.26 40.89 39.80 100.16 40.39 39.13 97.89 41.11 39.22 97.89 42.42 38.43 2 0 15.80-999 ?-999 ?-999 ? MG MG B 202 mHIS^D 92 99.45 41.35 41.03 98.67 41.84 41.43 100.60 41.63 43.14 99.68 42.35 43.48 100.71 41.16 41.71 101.81 41.93 40.98 3 0 15.53-999 ?-999 ?-999 ? MG MG B 202 mPRO^D 93 101.47 41.10 44.00 102.18 40.52 43.60 101.57 42.86 45.72 102.36 43.53 45.05 101.35 41.38 45.42 102.48 40.54 46.03 3 0 16.57-999 ?-999 ?-999 ? MG MG B 202 mALA^D 94 100.88 43.37 46.74 100.20 42.75 47.13 102.54 44.83 47.74 103.09 43.87 48.26 101.12 44.72 47.21 100.10 45.10 48.28 2 0 20.33-999 ?-999 ?-999 ? MG MG B 202 mGLU^D 95 103.18 45.97 47.50 102.72 46.59 46.86 104.27 46.68 49.58 103.32 47.37 49.92 104.45 46.27 48.13 105.17 47.37 47.36 2 0 22.29-999 ?-999 ?-999 ? MG MG B 202 mPRO^D 96 105.22 46.30 50.43 105.91 45.70 50.03 105.61 48.21 51.95 106.25 48.76 51.06 105.24 46.73 51.83 106.36 45.87 52.46 3 0 24.41-999 ?-999 ?-999 ? MG MG B 202 mHIS^D 97 105.17 48.85 53.03 104.51 48.33 53.57 105.10 51.27 52.39 105.63 52.38 52.32 105.63 50.21 53.36 107.16 50.28 53.45 3 0 28.21-999 ?-999 ?-999 ? MG MG B 202 mLYS^D 98 104.06 50.92 51.65 103.82 49.95 51.71 101.86 51.76 51.03 101.32 50.65 51.05 103.36 51.88 50.81 103.66 51.63 49.33 2 0 28.36-999 ?-999 ?-999 ? MG MG B 202 mASP^D 99 101.17 52.89 51.17 101.72 53.73 51.14 99.08 52.32 50.08 99.60 52.48 48.99 99.73 52.88 51.33 99.19 54.28 51.60 2 0 29.49-999 ?-999 ?-999 ? MG MG B 202 mVAL^D 100 97.89 51.74 50.24 97.55 51.72 51.18 95.89 52.01 48.88 95.20 52.40 49.83 97.16 51.18 49.13 96.78 49.71 49.39 3 0 27.41-999 ?-999 ?-999 ? MG MG B 202 mTYR^D 101 95.69 52.41 47.63 96.39 52.11 46.98 93.56 52.35 46.52 93.97 51.48 45.77 94.54 53.21 47.28 94.94 54.43 46.46 3 0 29.28-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 102 92.28 52.49 46.86 92.13 53.12 47.62 90.35 52.79 45.45 90.03 53.84 45.99 91.21 51.78 46.18-999.99-999.99-999.99 1 0 26.28-999 ?-999 ?-999 ? MG MG A 201 mPHE^D 103 90.18 52.58 44.15 90.73 51.82 43.79 88.09 52.55 42.92 88.25 51.37 42.58 89.28 53.40 43.36 90.00 53.97 42.13 3 0 24.27-999 ?-999 ?-999 ? MG MG A 201 mALA^D 104 86.91 53.16 42.83 86.88 54.07 43.25 84.79 53.51 41.58 84.73 54.67 41.98 85.78 52.52 42.18 85.07 51.56 43.12 2 0 20.53-999 ?-999 ?-999 ? MG MG A 201 mGLU^D 105 83.96 53.01 40.67 84.01 52.01 40.58 81.90 52.94 39.43 82.11 51.78 39.07 83.07 53.83 39.88 83.83 54.38 38.69 2 0 18.30-999 ?-999 ?-999 ? MG MG A 201 mCYH^D 106 80.68 53.39 39.70 80.66 54.23 40.25 79.41 52.78 37.69 79.73 53.81 37.10 79.49 52.70 39.21 78.24 53.28 39.86 2 0 14.59-999 ?-999 ?-999 ? MG MG A 201 mTYR^D 107 79.10 51.66 37.05 78.91 50.87 37.63 77.68 51.23 35.06 77.39 51.42 33.88 79.05 51.63 35.59 80.14 50.73 35.02 3 0 14.18-999 ?-999 ?-999 ? MG MG A 201 mARG^D 108 76.86 50.64 35.92 77.29 50.38 36.79 74.61 50.55 36.86 74.97 50.09 37.94 75.47 50.39 35.61 75.25 48.99 35.02 2 0 10.57-999 ?-999 ?-999 ? MG MG A 201 mVAL^D 109 73.50 51.26 36.69 73.38 51.62 35.76 71.17 50.98 37.31 70.70 51.32 36.23 72.54 51.49 37.75 72.42 52.99 38.11 3 0 8.26-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 110 70.55 50.17 38.15 71.04 50.04 39.01 68.30 49.86 39.00 68.70 50.54 39.94 69.27 49.54 37.84 69.51 48.03 37.66 2 0 -4.69-999 ?-999 ?-999 ? MG MG A 201s mPRO^D 111 66.99 49.67 38.80 66.68 49.28 37.93 66.62 49.51 41.29 66.63 50.24 42.27 66.15 50.07 39.93 64.79 49.51 39.55 3 0 4.19-999 ?-999 ?-999 ? MG MG A 201 mASN^D 112 67.13 48.28 41.32 67.24 47.85 40.42 68.91 47.13 42.69 69.31 46.56 43.71 67.48 47.64 42.59 66.49 46.51 42.92 2 0 -3.91-999 ?-999 ?-999 ? MG MG A 201s mVAL^D 113 69.70 47.34 41.64 69.25 47.83 40.89 72.02 48.01 41.13 71.75 48.65 40.11 71.09 46.89 41.61 71.28 45.63 40.69 3 0 5.23-999 ?-999 ?-999 ? MG MG A 201 mILE^D 114 73.15 48.19 41.81 73.17 47.72 42.69 75.47 48.17 41.01 75.89 47.35 41.83 74.24 49.02 41.30 74.57 50.21 42.24 3 0 8.53-999 ?-999 ?-999 ? MG MG A 201 mPHE^D 115 75.95 48.25 39.78 75.43 48.83 39.16 78.34 48.47 39.38 78.26 49.58 38.84 77.15 47.53 39.39 76.98 46.90 38.02 3 0 10.72-999 ?-999 ?-999 ? MG MG A 201 mTHR^D 116 79.40 48.06 40.06 79.31 47.15 40.47 81.85 48.09 39.81 81.92 46.86 39.96 80.59 48.87 40.17 80.75 49.40 41.59 2 0 14.36-999 ?-999 ?-999 ? MG MG A 201 mARG^D 117 82.88 48.84 39.41 82.66 49.81 39.36 85.28 49.21 39.60 85.14 50.44 39.56 84.19 48.28 39.06 84.32 48.19 37.54 2 0 17.78-999 ?-999 ?-999 ? MG MG A 201 mGLY^D 118 86.39 48.63 40.03 86.39 47.63 40.02 88.81 48.67 40.52 88.91 47.57 39.94 87.51 49.45 40.49-999.99-999.99-999.99 1 0 21.29-999 ?-999 ?-999 ? MG MG A 201 mPHE^D 119 89.79 49.21 41.24 89.54 50.07 41.69 91.84 49.10 42.56 91.44 50.10 43.16 91.10 48.57 41.35 91.90 48.78 40.06 3 0 24.77-999 ?-999 ?-999 ? MG MG A 201 mALA^D 120 92.85 48.36 43.00 92.93 47.47 42.55 95.13 49.10 43.44 95.53 48.50 42.45 93.75 48.82 44.04 93.86 47.78 45.15 2 0 24.70-999 ?-999 ?-999 ? MG MG B 202 mTYR^D 121 95.82 50.09 43.98 95.36 50.56 44.74 97.92 51.16 44.56 97.36 51.49 45.61 97.14 50.44 43.47 97.01 51.31 42.22 3 0 25.32-999 ?-999 ?-999 ? MG MG B 202 mGLN^D 122 99.21 51.38 44.31 99.53 51.03 43.43 100.64 53.39 44.78 99.99 54.44 44.91 100.05 52.06 45.28 101.07 51.10 45.88 2 0 26.89-999 ?-999 ?-999 ? MG MG B 202 mASP^D 123 101.76 53.34 44.07 102.14 52.42 43.97 101.71 54.96 42.20 101.50 56.13 41.94 102.36 54.56 43.51 103.87 54.37 43.29 2 0 29.03-999 ?-999 ?-999 ? MG MG B 202 mASP^D 124 101.46 53.98 41.33 101.59 53.06 41.68 99.68 53.62 39.69 99.59 52.40 39.64 101.02 54.27 39.98 102.07 53.80 38.97 2 0 28.51-999 ?-999 ?-999 ? MG MG B 202 mPRO^D 125 98.63 54.42 39.50 98.85 55.40 39.53 97.19 53.05 38.01 96.24 52.28 37.83 97.28 53.91 39.27 96.44 55.19 39.12 3 0 28.48-999 ?-999 ?-999 ? MG MG B 202 mGLY^D 126 98.21 53.15 37.16 98.91 53.81 37.43 99.01 51.05 36.14 99.11 50.26 35.22 98.26 52.35 35.95-999.99-999.99-999.99 1 0 27.08-999 ?-999 ?-999 ? MG MG B 202 mGLN^D 127 99.55 50.83 37.34 99.61 51.65 37.91 99.13 48.93 38.88 99.62 48.71 39.99 99.99 49.50 37.75 101.46 49.53 38.21 2 0 23.89-999 ?-999 ?-999 ? MG MG B 202 mPRO^D 128 97.88 48.55 38.58 97.61 48.64 37.62 97.56 46.72 40.22 97.96 45.83 39.47 97.03 48.03 39.65 95.68 47.81 38.95 3 0 22.73-999 ?-999 ?-999 ? MG MG B 202 mILE^D 129 97.49 46.58 41.54 97.21 47.40 42.04 96.63 44.36 42.04 96.82 43.15 41.96 97.80 45.32 42.16 98.27 45.48 43.65 3 0 20.05-999 ?-999 ?-999 ? MG MG B 202 mALA^D 130 95.43 44.90 41.85 95.44 45.90 41.74 93.08 44.79 41.07 92.93 46.01 41.20 94.22 44.09 41.79 93.79 43.70 43.19 2 0 19.84-999 ?-999 ?-999 ? MG MG B 202 mHIS^D 131 92.22 43.99 40.46 92.51 43.04 40.44 89.71 43.89 40.55 89.67 42.72 40.95 90.96 44.45 39.86 90.93 44.07 38.38 3 0 21.49-999 ?-999 ?-999 ? MG MG B 202 mVAL^D 132 88.65 44.69 40.58 88.76 45.55 40.07 86.19 44.76 40.54 86.21 45.79 39.87 87.44 44.32 41.30 87.42 44.88 42.74 3 0 21.06-999 ?-999 ?-999 ? MG MG A 201 mVAL^D 133 85.18 43.90 40.52 85.43 42.97 40.80 82.86 43.73 41.17 83.13 42.70 41.80 83.82 44.28 40.13 83.42 43.70 38.74 3 0 17.37-999 ?-999 ?-999 ? MG MG A 201 mGLY^D 134 81.81 44.49 41.47 81.77 45.35 40.97 79.46 44.54 42.08 79.32 45.54 41.36 80.83 44.05 42.45-999.99-999.99-999.99 1 0 14.77-999 ?-999 ?-999 ? MG MG A 201 mALA^D 135 78.44 43.83 42.55 78.69 42.97 42.97 76.53 44.52 43.83 76.77 43.73 44.74 77.08 44.29 42.44 76.23 43.28 41.69 2 0 11.14-999 ?-999 ?-999 ? MG MG A 201 mPHE^D 136 75.70 45.54 43.97 75.44 45.99 43.11 73.72 46.16 45.19 73.20 46.60 44.17 75.22 45.94 45.27 75.95 47.21 45.72 3 0 10.59-999 ?-999 ?-999 ? MG MG A 201 mMETD 137 73.01 45.78 46.25 73.55 45.40 47.00 71.16 47.22 46.94 71.64 47.55 48.02 71.57 45.93 46.27 70.91 44.76 46.99 2 0 8.68-999 ?-999 ?-999 ? MG MG A 201 mARG^D 138 70.17 47.90 46.37 69.93 47.62 45.44 68.07 48.67 47.48 67.29 48.19 46.66 69.52 48.96 47.11 69.68 50.29 46.40 2 0 8.98-999 ?-999 ?-999 ? MG MG A 201 mMETD 139 67.76 48.88 48.76 68.42 49.46 49.25 65.44 49.35 49.43 64.26 48.99 49.63 66.56 48.32 49.38 66.86 47.82 50.80 2 0 10.47-999 ?-999 ?-999 ? MG MG A 201