HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-JUL-05 2A5Z COMPND HYPOTHETICAL PROTEIN SO2946; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; SOURCE 3 ORGANISM_TAXID: 211586; SOURCE 4 STRAIN: MR-1; SOURCE 5 GENE: SO2946; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR B.NOCEK,L.BIGELOW,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 29 8 HET MSE A 56 8 HET MSE A 57 8 HET MSE A 107 8 HET MSE A 109 8 HET MSE A 191 8 HET MSE A 218 8 HET MSE B 29 8 HET MSE B 56 8 HET MSE B 57 8 HET MSE B 107 8 HET MSE B 109 8 HET MSE B 191 8 HET MSE B 218 8 HET MSE C 29 8 HET MSE C 56 8 HET MSE C 57 8 HET MSE C 107 8 HET MSE C 109 8 HET MSE C 191 8 HET MSE C 218 8 HET MG A 701 1 HET MG B 701 1 HET MG C 701 1 SITE 1 AC1 4 ASP A 54 PHE A 88 GLY A 89 ASP A 247 SITE 1 AC2 4 ASP B 54 PHE B 88 GLY B 89 ASP B 247 SITE 1 AC3 4 ASP C 54 PHE C 88 GLY C 89 ASP C 247 mTHR.A 24 69.26 39.99 38.02 68.60 39.80 37.29 69.59 40.33 40.49 70.27 40.27 41.52 70.24 40.27 39.11 71.04 41.58 38.86 2 0 24.11-999 ?-999 ?-999 ? MG MG B 701 mTHR.A 25 68.26 40.44 40.52 67.84 40.46 39.61 66.60 39.31 41.95 65.96 38.85 40.99 67.50 40.53 41.77 66.63 41.81 41.82 2 0 27.32-999 ?-999 ?-999 ? MG MG B 701 mPRO.A 26 66.53 38.76 43.19 67.13 39.17 43.88 64.17 38.04 43.24 63.76 39.13 43.65 65.62 37.64 43.45 65.88 37.30 44.93 3 0 28.02-999 ?-999 ?-999 ? MG MG B 701 mGLY.A 27 63.39 37.17 42.60 63.85 36.32 42.35 61.11 36.25 42.16 61.47 35.15 42.59 61.99 37.47 42.31-999.99-999.99-999.99 1 0 29.87-999 ?-999 ?-999 ? MG MG B 701 mLEU.A 28 59.95 36.46 41.56 59.80 37.41 41.29 59.45 34.48 40.19 60.29 34.87 39.37 58.98 35.39 41.32 57.60 35.97 41.00 3 0 30.83-999 ?-999 ?-999 ? MG MG A 701 mMETA 29 58.91 33.26 40.16 58.29 33.07 40.93 58.12 32.39 38.01 56.91 32.29 38.29 59.18 32.31 39.10 59.28 30.89 39.66 2 0 27.13-999 ?-999 ?-999 ? MG MG A 701 mSER~A 30 58.58 32.55 36.77 59.58 32.61 36.74 57.03 31.32 35.27 57.59 30.24 35.53 57.74 32.64 35.58 58.59 33.09 34.40 2 0 24.84-999 ?-999 ?-999 ? MG MG A 701 mPRO~A 31 55.81 31.39 34.69 55.46 32.31 34.54 55.79 29.30 33.29 55.58 28.09 33.26 55.07 30.17 34.32 53.76 30.72 33.73 3 0 22.58-999 ?-999 ?-999 ? MG MG A 701 mSER~A 32 56.62 29.92 32.44 56.64 30.91 32.55 58.60 28.51 32.13 58.98 27.38 31.76 57.41 29.18 31.46 57.87 30.10 30.32 2 0 19.53-999 ?-999 ?-999 ? MG MG A 701 mGLU~A 33 59.19 29.20 33.11 58.82 30.12 33.22 59.80 27.45 34.73 60.50 26.44 34.80 60.27 28.66 33.92 60.84 29.73 34.85 2 0 20.84-999 ?-999 ?-999 ? MG MG A 701 mLYS~A 34 58.61 27.54 35.30 58.17 28.43 35.20 57.64 25.27 35.06 57.67 24.10 35.44 58.02 26.41 36.02 56.85 26.88 36.90 2 0 21.20-999 ?-999 ?-999 ? MG MG A 701 mLEU~A 35 57.32 25.63 33.82 57.31 26.61 33.67 58.27 23.91 32.33 58.24 22.70 32.09 57.01 24.64 32.78 56.31 25.32 31.60 3 0 17.65-999 ?-999 ?-999 ? MG MG A 701 mLYS~A 36 59.38 24.65 32.23 59.20 25.63 32.33 61.13 23.09 33.05 61.63 22.00 32.74 60.71 24.09 31.98 61.76 25.20 31.94 2 0 16.54-999 ?-999 ?-999 ? MG MG A 701 mLEU~A 37 60.95 23.48 34.31 60.57 24.40 34.42 60.44 21.37 35.50 60.91 20.32 35.94 61.30 22.61 35.44 61.21 23.37 36.76 3 0 18.90-999 ?-999 ?-999 ? MG MG A 701 mSER~A 38 59.18 21.49 35.08 58.96 22.40 34.75 58.63 19.23 34.18 58.28 18.08 34.42 58.22 20.38 35.11 56.81 20.87 34.77 2 0 17.75-999 ?-999 ?-999 ? MG MG A 701 mTHR~A 39 59.35 19.55 33.11 59.56 20.53 33.02 61.31 18.30 32.14 61.86 17.77 31.17 59.79 18.52 32.16 59.26 18.78 30.74 2 0 14.36-999 ?-999 ?-999 ? MG MG A 701 mLEU.A 40 61.98 18.71 33.22 61.41 19.21 33.87 63.65 16.94 33.57 62.99 16.27 34.38 63.41 18.44 33.41 63.94 19.19 34.65 3 0 16.03-999 ?-999 ?-999 ? MG MG A 701 mTHR.A 41 64.58 16.43 32.78 64.97 17.09 32.13 65.70 14.79 34.18 66.66 15.49 34.51 65.00 15.03 32.85 65.98 14.68 31.72 2 0 14.43-999 ?-999 ?-999 ? MG MG C 701 mTHR.A 42 65.23 13.79 34.92 64.49 13.28 34.48 67.26 13.16 36.22 67.71 12.35 35.42 65.75 13.48 36.25 64.96 12.30 36.87 2 0 11.13-999 ?-999 ?-999 ? MG MG C 701 mSER.A 43 68.03 13.84 37.07 67.57 14.59 37.54 69.53 12.65 38.57 69.63 11.43 38.51 69.43 13.47 37.28 70.35 14.70 37.28 2 0 9.34-999 ?-999 ?-999 ? MG MG C 701 mILE.A 44 69.46 13.31 39.72 69.50 14.30 39.62 67.88 12.57 41.39 67.23 13.62 41.51 69.35 12.62 41.01 70.12 13.32 42.16 3 0 7.48-999 ?-999 ?-999 ? MG MG C 701 mALA.A 45 67.34 11.37 41.58 67.97 10.60 41.45 65.72 11.51 43.41 66.57 11.18 44.25 65.94 11.22 41.94 65.45 9.83 41.60 2 0 7.84-999 ?-999 ?-999 ? MG MG C 701 mTHR.A 46 64.60 12.15 43.72 64.11 12.52 42.93 62.73 11.73 45.25 62.54 10.64 45.78 64.15 12.28 45.11 64.27 13.73 45.65 2 0 10.43-999 ?-999 ?-999 ? MG MG C 701 mSER.A 47 61.73 12.47 44.75 62.04 13.29 44.26 59.69 11.54 43.64 58.73 10.77 43.69 60.32 12.10 44.92 59.52 13.31 45.38 2 0 13.17-999 ?-999 ?-999 ? MG MG C 701 mASP^A 48 60.22 11.94 42.49 61.03 12.51 42.58 60.69 11.27 40.17 61.88 11.56 40.36 59.63 11.54 41.22 58.63 12.59 40.73 2 0 13.08-999 ?-999 ?-999 ? MG MG C 701 mPHE^A 49 60.25 10.69 39.06 59.30 10.39 39.10 60.42 11.14 36.68 59.20 11.03 36.50 61.09 10.52 37.90 61.38 9.05 37.64 3 0 11.92-999 ?-999 ?-999 ? MG MG C 701 mTYR^A 50 61.22 11.81 35.85 62.15 11.96 36.21 61.87 12.13 33.48 63.04 12.41 33.72 60.78 12.28 34.54 60.31 13.73 34.59 3 0 14.34-999 ?-999 ?-999 ? MG MG C 701 mALA^A 51 61.45 11.69 32.29 60.50 11.38 32.29 61.46 11.78 29.87 60.34 11.27 29.81 62.31 11.66 31.12 63.15 10.36 31.07 2 0 13.55-999 ?-999 ?-999 ? MG MG A 701 mSER^A 52 62.01 12.47 28.87 62.92 12.83 29.07 62.35 12.77 26.51 63.49 13.18 26.74 61.31 12.67 27.61 60.44 13.94 27.66 2 0 9.78-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 53 61.95 12.35 25.32 61.05 11.92 25.31 61.92 12.82 22.92 60.97 12.09 22.63 62.78 12.50 24.13 63.71 11.28 23.89 3 0 7.14-999 ?-999 ?-999 ? MG MG A 701 mASP.A 54 62.27 13.90 22.22 63.14 14.29 22.52 62.08 14.16 19.72 61.64 14.73 18.72 61.49 14.47 21.12 61.38 16.00 21.32 2 0 -3.49-999 ?-999 ?-999 ? MG MG A 701s mPHE.A 55 63.08 13.29 19.65 63.44 13.03 20.55 64.06 13.86 17.37 63.68 13.85 16.20 63.60 12.78 18.37 62.61 11.78 17.73 3 0 4.61-999 ?-999 ?-999 ? MG MG A 701 mMETA 56 64.89 14.79 17.86 65.08 14.69 18.83 66.93 15.64 16.68 67.51 16.38 15.87 65.45 15.85 17.00 65.22 17.23 17.63 2 0 6.12-999 ?-999 ?-999 ? MG MG A 701 mMETA 57 67.54 14.64 17.31 66.92 14.08 17.87 69.29 13.52 15.98 68.51 12.67 15.57 68.97 14.38 17.20 69.52 13.69 18.45 2 0 9.52-999 ?-999 ?-999 ? MG MG A 701 mHIS.A 58 70.47 13.78 15.41 70.88 14.63 15.75 71.18 11.52 14.99 71.65 11.35 16.11 71.10 12.93 14.40 72.48 13.52 14.12 3 0 12.36-999 ?-999 ?-999 ? MG MG A 701 mSER.A 59 70.68 10.53 14.26 70.50 10.77 13.31 71.45 8.12 14.55 71.30 6.99 15.05 70.42 9.22 14.86 69.00 8.73 14.55 2 0 12.77-999 ?-999 ?-999 ? MG MG A 701 mILE.A 60 72.48 8.43 13.77 72.44 9.35 13.37 74.32 7.26 14.83 74.86 8.21 15.40 73.56 7.47 13.53 74.55 7.94 12.43 3 0 16.58-999 ?-999 ?-999 ? MG MG A 701 mGLY.A 61 74.33 6.01 15.31 73.81 5.36 14.76 74.46 6.22 17.81 75.12 6.28 18.83 75.05 5.65 16.53-999.99-999.99-999.99 1 0 18.17-999 ?-999 ?-999 ? MG MG A 701 mLEU.A 62 73.20 6.65 17.74 72.78 6.54 16.84 71.74 6.10 19.61 70.70 5.63 19.15 72.50 7.21 18.90 71.56 8.33 18.46 3 0 15.12-999 ?-999 ?-999 ? MG MG A 701 mTHR.A 63 72.26 5.68 20.76 73.06 6.20 21.07 70.94 4.92 22.74 70.34 4.07 23.41 71.70 4.53 21.46 72.77 3.49 21.79 2 0 16.33-999 ?-999 ?-999 ? MG MG A 701 mSER^A 64 70.98 6.21 23.09 71.59 6.77 22.53 70.12 8.25 24.21 70.97 8.91 23.64 70.19 6.72 24.20 70.73 6.21 25.54 2 0 14.71-999 ?-999 ?-999 ? MG MG A 701 mALA^A 65 69.09 8.78 24.87 68.44 8.10 25.21 68.06 10.45 26.29 67.01 9.82 26.43 68.94 10.21 25.07 68.31 10.86 23.84 2 0 12.54-999 ?-999 ?-999 ? MG MG A 701 mASN.A 66 68.49 11.35 27.17 69.41 11.70 26.98 67.16 10.59 29.14 65.97 10.53 29.48 67.66 11.78 28.30 66.47 12.63 27.80 2 0 13.30-999 ?-999 ?-999 ? MG MG A 701 mASN.A 67 68.08 9.67 29.46 68.98 9.92 29.12 67.14 7.27 29.43 67.09 6.13 29.91 67.80 8.42 30.22 67.02 8.67 31.53 2 0 12.28-999 ?-999 ?-999 ? MG MG C 701 mILE^A 68 66.63 7.56 28.23 66.86 8.48 27.92 66.71 5.83 26.46 67.54 6.43 25.75 65.83 6.61 27.46 64.66 7.33 26.73 3 0 13.92-999 ?-999 ?-999 ? MG MG A 701 mSER^A 69 66.52 4.51 26.42 65.87 4.17 27.10 66.63 3.80 24.09 65.40 3.89 23.94 67.23 3.64 25.48 67.15 2.17 25.92 2 0 15.46-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 70 67.50 3.87 23.08 68.46 3.82 23.38 67.76 2.86 20.92 68.91 2.97 20.46 67.09 3.99 21.68 67.45 5.37 21.10 3 0 13.73-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 71 67.04 1.74 20.85 66.07 1.86 21.06 67.22 0.00 19.12 66.04 -0.21 18.87 67.65 0.47 20.50 67.31 -0.60 21.56 3 0 16.74-999 ?-999 ?-999 ? MG MG A 701 mSER^A 72 68.20 -0.15 18.25 69.09 0.15 18.59 68.50 -2.13 16.91 69.55 -2.43 17.46 68.01 -0.69 16.92 68.81 0.12 15.90 2 0 17.83-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 73 67.73 -3.02 16.28 66.85 -2.66 15.96 67.79 -4.87 14.68 66.94 -4.26 14.02 68.17 -4.40 16.08 67.57 -5.36 17.12 2 0 21.29-999 ?-999 ?-999 ? MG MG A 701 mGLY.A 74 68.43 -5.94 14.22 69.14 -6.28 14.84 68.36 -5.66 11.74 67.72 -5.80 10.70 68.10 -6.55 12.94-999.99-999.99-999.99 1 0 23.74-999 ?-999 ?-999 ? MG MG A 701 mASN.A 75 69.31 -4.73 11.90 69.76 -4.78 12.79 68.47 -2.85 10.44 68.38 -2.45 9.28 69.65 -3.75 10.87 70.31 -4.43 9.67 2 0 22.50-999 ?-999 ?-999 ? MG MG A 701 mILE.A 76 67.59 -2.53 11.39 67.80 -2.94 12.28 66.85 -0.37 10.47 67.93 0.15 10.74 66.42 -1.67 11.15 65.65 -1.38 12.47 3 0 19.34-999 ?-999 ?-999 ? MG MG A 701 mSER^A 77 66.00 0.14 9.58 65.13 -0.34 9.51 65.72 2.60 9.38 64.54 2.88 9.18 66.34 1.32 8.80 65.94 1.13 7.33 2 0 17.93-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 78 66.53 3.36 10.11 67.44 2.97 10.27 66.23 5.70 9.55 67.33 6.01 9.09 66.10 4.65 10.64 66.89 5.05 11.89 3 0 14.39-999 ?-999 ?-999 ? MG MG A 701 mGLN.A 79 65.09 6.24 9.13 64.28 5.90 9.60 65.49 8.61 8.59 65.71 8.78 9.80 65.07 7.25 8.06 63.67 7.33 7.42 2 0 13.92-999 ?-999 ?-999 ? MG MG A 701 mASN.A 80 65.61 9.58 7.69 65.42 9.29 6.75 65.00 11.54 9.04 63.79 11.37 8.90 65.99 10.93 8.07 66.12 11.82 6.84 2 0 12.71-999 ?-999 ?-999 ? MG MG A 701 mILE.A 81 65.53 12.26 10.02 66.53 12.24 10.06 63.96 14.11 10.15 64.53 14.73 9.24 64.70 13.02 10.94 65.54 13.63 12.10 3 0 9.17-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 82 62.69 14.31 10.49 62.33 13.65 11.15 60.97 16.01 10.99 60.83 15.46 12.10 61.90 15.41 9.94 61.09 14.93 8.72 3 0 8.67-999 ?-999 ?-999 ? MG MG A 701 mSER^A 83 60.36 17.14 10.64 60.72 17.56 9.80 58.03 17.86 10.52 58.15 17.94 9.30 59.26 17.70 11.42 59.65 19.03 12.06 2 0 7.39-999 ?-999 ?-999 ? MG MG A 701 mGLU^A 84 56.85 17.91 11.14 56.92 17.97 12.14 54.54 18.60 11.25 54.12 18.11 12.30 55.58 17.86 10.43 55.17 16.40 10.27 2 0 9.25-999 ?-999 ?-999 ? MG MG A 701 mGLY.A 85 54.12 19.77 10.79 54.47 20.02 9.88 53.80 20.92 12.93 54.89 21.48 13.01 53.20 20.62 11.56-999.99-999.99-999.99 1 0 10.82-999 ?-999 ?-999 ? MG MG A 701 mASN.A 86 53.10 20.54 13.99 52.22 20.11 13.77 54.35 19.55 15.92 54.81 19.56 17.07 53.60 20.75 15.35 52.46 21.17 16.29 2 0 8.80-999 ?-999 ?-999 ? MG MG A 701 mHIS^A 87 54.48 18.50 15.10 53.97 18.59 14.25 56.77 17.62 15.13 57.27 17.36 14.03 55.30 17.35 15.44 54.77 16.10 14.73 3 0 5.63-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 88 57.44 18.18 16.12 56.90 18.26 16.96 59.74 17.46 16.33 59.69 16.93 17.44 58.82 18.64 16.02 59.02 19.78 17.03 3 0 -4.39-999 ?-999 ?-999 ? MG MG A 701s mGLY^A 89 60.54 17.05 15.35 60.47 17.59 14.51 60.72 14.58 15.40 60.10 14.10 16.35 61.44 15.91 15.51-999.99-999.99-999.99 1 0 -3.49-999 ?-999 ?-999 ? MG MG A 701s mVAL^A 90 60.81 13.96 14.23 61.40 14.41 13.56 61.05 11.69 13.40 61.82 11.99 12.48 60.10 12.72 13.98 58.87 12.94 13.04 3 0 4.86-999 ?-999 ?-999 ? MG MG A 701 mGLN.A 91 61.01 10.48 13.96 60.36 10.41 14.72 61.01 8.35 12.73 60.33 7.52 13.35 61.84 9.38 13.51 62.56 8.71 14.70 2 0 7.67-999 ?-999 ?-999 ? MG MG A 701 mPRO.A 92 61.06 8.41 11.38 61.54 9.20 10.99 61.31 6.09 10.58 62.54 6.18 10.66 60.44 7.35 10.59 60.34 7.96 9.17 3 0 10.83-999 ?-999 ?-999 ? MG MG A 701 mILE^A 93 60.65 4.94 10.49 59.68 5.04 10.30 60.85 2.70 9.55 59.66 2.62 9.25 61.31 3.65 10.66 61.00 3.04 12.08 3 0 13.72-999 ?-999 ?-999 ? MG MG A 701 mVAL^A 94 61.80 1.99 8.94 62.72 2.14 9.30 62.16 -0.29 8.04 63.28 -0.38 8.59 61.50 1.08 7.83 61.93 1.69 6.46 3 0 17.46-999 ?-999 ?-999 ? MG MG A 701 mSER.A 95 61.47 -1.34 7.60 60.61 -1.09 7.16 63.21 -3.02 6.96 63.56 -2.33 6.01 61.93 -2.71 7.75 60.82 -3.69 7.35 2 0 20.68-999 ?-999 ?-999 ? MG MG A 701 mSER.A 96 63.90 -4.07 7.40 63.51 -4.50 8.22 64.88 -5.98 6.26 63.75 -6.49 6.30 65.10 -4.54 6.75 66.27 -4.51 7.74 2 0 23.30-999 ?-999 ?-999 ? MG MG A 701 mTHR.A 97 65.96 -6.61 5.82 66.79 -6.06 5.83 66.08 -9.01 6.50 66.21 -10.22 6.26 65.92 -8.00 5.36 66.98 -8.26 4.26 2 0 27.08-999 ?-999 ?-999 ? MG MG A 701 mTHR.A 98 66.08 -8.52 7.75 66.03 -7.53 7.80 64.78 -9.44 9.60 64.21 -8.40 9.95 66.14 -9.40 8.92 67.25 -8.98 9.92 2 0 26.89-999 ?-999 ?-999 ? MG MG A 701 mALA.A 99 64.26 -10.65 9.78 64.80 -11.39 9.39 63.14 -10.43 11.93 64.20 -10.61 12.56 63.00 -10.85 10.48 62.57 -12.30 10.39 2 0 27.16-999 ?-999 ?-999 ? MG MG A 701 mASN.A 100 62.06 -9.83 12.45 61.32 -9.76 11.78 62.77 -8.08 14.13 62.81 -7.65 15.28 61.96 -9.34 13.82 62.21 -10.46 14.85 2 0 24.79-999 ?-999 ?-999 ? MG MG A 701 mALA.A 101 63.38 -7.49 13.10 63.32 -8.01 12.25 63.16 -5.16 13.87 61.96 -5.11 13.57 64.07 -6.20 13.22 64.52 -5.72 11.86 2 0 22.20-999 ?-999 ?-999 ? MG MG A 701 mSER^A 102 63.72 -4.34 14.75 64.72 -4.42 14.81 63.64 -2.15 15.97 64.88 -2.11 16.03 62.91 -3.41 15.53 62.34 -4.13 16.78 2 0 18.86-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 103 62.85 -1.11 16.25 61.91 -1.19 15.91 62.58 0.15 18.29 61.35 0.09 18.31 63.34 0.04 16.98 63.20 1.34 16.17 3 0 15.42-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 104 63.33 0.29 19.39 64.31 0.31 19.23 63.20 1.68 21.41 64.40 1.90 21.56 62.72 0.41 20.71 63.00 -0.84 21.57 3 0 15.07-999 ?-999 ?-999 ? MG MG A 701 mALA^A 105 62.24 2.51 21.81 61.33 2.28 21.47 61.90 3.32 24.03 60.68 3.25 24.17 62.51 3.65 22.67 61.88 4.93 22.09 2 0 12.48-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 106 62.73 3.07 25.03 63.70 3.21 24.83 63.15 2.65 27.46 64.30 3.08 27.33 62.19 2.63 26.31-999.99-999.99-999.99 1 0 14.94-999 ?-999 ?-999 ? MG MG A 701 mMETA 107 62.67 2.20 28.61 61.71 1.91 28.57 63.29 0.77 30.50 62.39 0.00 30.14 63.47 2.13 29.83 63.13 3.28 30.79 2 0 14.47-999 ?-999 ?-999 ? MG MG C 701 mLEU^A 108 64.17 0.48 31.45 64.84 1.20 31.61 63.00 -0.81 33.19 62.71 0.20 33.83 64.14 -0.78 32.18 65.47 -0.98 32.91 3 0 13.30-999 ?-999 ?-999 ? MG MG C 701 mMETA 109 62.37 -1.97 33.36 62.77 -2.73 32.85 61.56 -2.14 35.70 60.77 -1.76 36.56 61.19 -2.09 34.23 60.33 -3.30 33.84 2 0 14.51-999 ?-999 ?-999 ? MG MG C 701 mALA^A 110 62.78 -2.60 35.99 63.33 -2.83 35.19 63.24 -1.42 38.15 63.04 -1.41 39.38 63.27 -2.73 37.37 64.67 -3.33 37.39 2 0 12.11-999 ?-999 ?-999 ? MG MG C 701 mILE^A 111 63.43 -0.30 37.46 63.59 -0.44 36.48 61.97 1.51 38.31 61.75 2.51 39.00 63.40 1.00 38.13 64.29 2.06 37.43 3 0 9.59-999 ?-999 ?-999 ? MG MG C 701 mPHE^A 112 61.02 0.82 37.68 61.36 0.03 37.18 58.74 0.07 38.30 58.01 -0.59 37.56 59.61 1.20 37.73 59.11 1.60 36.34 3 0 12.91-999 ?-999 ?-999 ? MG MG C 701 mPRO^A 113 58.83 -0.15 39.63 59.48 0.41 40.14 56.53 -0.68 40.19 56.27 0.49 39.85 57.98 -1.16 40.24 58.50 -1.22 41.67 3 0 14.80-999 ?-999 ?-999 ? MG MG C 701 mLYS^A 114 55.60 -1.57 40.53 55.96 -2.46 40.80 53.83 0.01 41.35 52.95 0.78 40.95 54.18 -1.23 40.51 53.32 -2.45 40.87 2 0 18.27-999 ?-999 ?-999 ? MG MG C 701 mGLU^A 115 54.53 0.24 42.46 55.22 -0.46 42.66 54.63 2.73 42.60 54.09 3.79 42.94 54.29 1.42 43.31 55.08 1.38 44.63 2 0 17.43-999 ?-999 ?-999 ? MG MG C 701 mSER^A 116 55.54 2.67 41.63 55.89 1.75 41.47 54.85 4.44 40.04 54.89 5.63 39.69 55.97 3.85 40.88 57.16 3.51 39.99 2 0 15.30-999 ?-999 ?-999 ? MG MG C 701 mGLU^A 117 53.87 3.61 39.69 54.03 2.64 39.90 53.05 4.76 37.70 52.54 5.83 37.35 52.66 4.09 39.04 52.00 5.09 39.99 2 0 18.74-999 ?-999 ?-999 ? MG MG C 701 mLEU^A 118 53.96 4.12 36.97 54.19 3.21 37.31 53.55 5.06 34.69 52.64 4.29 34.38 54.57 4.70 35.76 55.65 3.78 35.17 3 0 17.63-999 ?-999 ?-999 ? MG MG C 701 mGLU^A 119 53.73 6.24 34.11 54.45 6.81 34.52 53.84 6.94 31.76 54.79 7.72 31.84 52.94 6.66 32.98 52.10 7.88 33.36 2 0 18.12-999 ?-999 ?-999 ? MG MG A 701 mVAL^A 120 53.53 6.27 30.65 52.79 5.61 30.77 53.29 7.12 28.34 52.18 6.63 28.10 54.22 6.48 29.38 54.81 5.14 28.83 3 0 14.94-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 121 53.74 8.22 27.74 54.62 8.54 28.09 53.80 8.89 25.37 54.97 9.29 25.37 52.99 8.88 26.66 52.56 10.29 27.05 2 0 12.25-999 ?-999 ?-999 ? MG MG A 701 mVAL^A 122 53.18 8.43 24.29 52.22 8.18 24.45 52.99 9.04 21.93 51.78 8.81 21.82 53.82 8.32 22.99 54.01 6.83 22.56 3 0 9.93-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 123 53.64 9.93 21.19 54.57 10.11 21.51 53.63 9.84 18.80 54.85 9.83 18.61 53.06 10.56 20.01 53.42 12.06 19.97 3 0 8.00-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 124 52.77 9.24 17.99 51.81 9.43 18.20 52.40 8.52 15.63 51.24 8.97 15.67 53.22 8.37 16.90 53.27 6.89 17.35 3 0 9.20-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 125 52.99 8.13 14.50 53.92 7.79 14.62 52.26 6.86 12.52 53.30 6.24 12.34 52.29 8.22 13.22 52.93 9.28 12.31 2 0 11.09-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 126 51.07 6.43 12.14 50.31 7.02 12.42 51.42 5.41 9.94 51.42 6.54 9.46 50.90 5.20 11.36 49.41 4.78 11.29 2 0 14.73-999 ?-999 ?-999 ? MG MG A 701 mPRO^A 127 51.91 4.33 9.28 51.87 3.47 9.78 51.34 4.66 6.87 50.16 4.51 7.17 52.44 4.46 7.92 53.15 3.13 7.71 3 0 16.34-999 ?-999 ?-999 ? MG MG A 701 mSER^A 128 51.74 5.01 5.64 52.74 5.10 5.56 50.01 3.97 4.18 48.87 4.06 3.72 50.81 5.22 4.53 51.56 5.71 3.28 2 0 18.95-999 ?-999 ?-999 ? MG MG A 701 mALA^A 129 50.63 2.81 4.41 51.56 2.90 4.75 50.27 0.61 5.35 51.42 0.47 5.78 49.99 1.53 4.18 50.48 0.92 2.87 2 0 21.66-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 130 49.21 -0.01 5.88 48.34 0.30 5.51 49.85 -2.34 6.29 49.84 -2.50 5.07 49.35 -1.03 6.91 48.02 -1.24 7.64 3 0 22.08-999 ?-999 ?-999 ? MG MG A 701 mASN^A 131 50.28 -3.27 7.14 50.17 -3.02 8.10 50.80 -5.53 7.85 51.11 -5.17 8.99 50.88 -4.53 6.70 52.34 -4.29 6.32 2 0 24.23-999 ?-999 ?-999 ? MG MG A 701 mPRO^A 132 50.39 -6.78 7.57 50.18 -6.97 6.61 51.59 -8.06 9.39 51.57 -8.57 10.51 50.28 -7.78 8.64 49.80 -9.04 7.90 3 0 26.35-999 ?-999 ?-999 ? MG MG A 701 mALA^A 133 52.72 -7.71 8.77 52.57 -7.30 7.87 54.43 -6.88 10.43 55.40 -7.09 11.17 54.05 -7.91 9.36 55.12 -7.96 8.26 2 0 25.13-999 ?-999 ?-999 ? MG MG A 701 mGLN^A 134 53.69 -5.78 10.49 52.96 -5.75 9.81 53.39 -5.08 12.85 52.21 -5.43 13.01 53.93 -4.71 11.46 53.28 -3.39 11.01 2 0 21.53-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 135 54.27 -4.99 13.84 55.19 -4.77 13.54 54.49 -4.05 16.05 55.72 -3.89 16.11 53.90 -5.19 15.23 54.39 -6.56 15.74 3 0 21.12-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 136 53.62 -3.26 16.65 52.66 -3.48 16.44 53.39 -2.37 18.88 52.26 -2.85 18.98 54.02 -2.16 17.51 53.60 -0.78 16.94 2 0 17.97-999 ?-999 ?-999 ? MG MG A 701 mVAL^A 137 54.14 -2.03 19.92 55.04 -1.68 19.66 53.98 -0.84 22.00 55.09 -0.32 21.92 53.68 -2.15 21.29 54.41 -3.32 22.03 3 0 18.31-999 ?-999 ?-999 ? MG MG A 701 mILE^A 138 52.99 -0.30 22.69 52.08 -0.65 22.47 52.91 0.13 25.05 51.74 -0.11 25.38 53.24 0.73 23.69 52.46 2.02 23.43 3 0 16.46-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 139 53.97 -0.15 25.81 54.83 0.19 25.43 55.15 -1.68 27.28 56.22 -1.30 26.80 53.88 -0.86 27.08-999.99-999.99-999.99 1 0 18.95-999 ?-999 ?-999 ? MG MG A 701 mSER^A 140 55.03 -2.79 28.00 54.11 -2.96 28.36 56.35 -4.62 27.03 55.39 -4.96 26.34 56.17 -3.68 28.22 56.00 -4.47 29.51 2 0 21.37-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 141 57.59 -5.05 26.80 58.27 -4.73 27.46 59.25 -6.61 25.79 60.17 -6.10 26.45 57.90 -5.91 25.66 57.84 -5.11 24.31 2 0 22.18-999 ?-999 ?-999 ? MG MG A 701 mSER^A 142 59.36 -7.77 25.14 58.48 -8.17 24.89 61.52 -7.40 24.11 61.04 -6.66 23.24 60.64 -8.40 24.84 60.42 -9.62 23.92 2 0 24.15-999 ?-999 ?-999 ? MG MG C 701 mILE^A 143 62.80 -7.38 24.45 63.05 -8.06 25.15 64.18 -6.93 22.48 64.15 -8.13 22.21 63.75 -6.44 23.86 64.97 -6.23 24.80 3 0 22.50-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 144 64.57 -6.01 21.60 64.39 -5.08 21.91 64.43 -7.25 19.36 63.33 -6.91 18.92 65.20 -6.35 20.32-999.99-999.99-999.99 1 0 22.12-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 145 65.03 -8.40 19.03 65.90 -8.55 19.50 63.37 -10.26 18.69 62.73 -11.04 17.99 64.44 -9.34 18.07 65.54 -10.19 17.41 3 0 24.76-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 146 63.22 -10.18 20.01 63.83 -9.53 20.47 60.80 -10.60 20.32 60.51 -9.44 20.03 62.22 -10.97 20.72-999.99-999.99-999.99 1 0 26.16-999 ?-999 ?-999 ? MG MG A 701 mILE^A 147 59.93 -11.61 20.31 60.35 -12.50 20.51 57.62 -12.24 20.99 56.42 -12.38 20.76 58.50 -11.44 20.02 58.12 -11.86 18.55 3 0 26.46-999 ?-999 ?-999 ? MG MG A 701 mSER^A 148 58.20 -12.75 22.06 59.13 -12.42 22.22 56.57 -13.10 23.97 55.63 -13.76 24.42 57.50 -13.71 22.93 58.51 -14.63 23.63 2 0 29.09-999 ?-999 ?-999 ? MG MG A 701 mASP^A 149 56.83 -11.85 24.36 57.56 -11.40 23.83 55.86 -9.74 25.21 56.76 -9.02 24.75 56.12 -11.22 25.47 56.92 -11.35 26.76 2 0 27.35-999 ?-999 ?-999 ? MG MG A 701 mARG^A 150 54.65 -9.29 25.53 54.03 -10.01 25.83 52.97 -7.62 26.21 52.15 -8.52 26.36 54.27 -7.87 25.44 54.13 -7.40 23.99 2 0 24.48-999 ?-999 ?-999 ? MG MG A 701 mSER^A 151 52.81 -6.39 26.69 53.60 -5.79 26.54 51.42 -4.47 27.12 52.38 -3.72 27.25 51.59 -5.95 27.37 51.69 -6.16 28.89 2 0 24.13-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 152 50.20 -4.05 26.80 49.54 -4.78 26.67 48.96 -2.40 25.47 48.01 -3.16 25.26 49.88 -2.63 26.65-999.99-999.99-999.99 1 0 21.72-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 153 49.23 -1.34 24.71 49.91 -0.70 25.08 49.35 -1.82 22.32 50.46 -1.40 21.99 48.55 -1.15 23.42 48.31 0.34 23.09 3 0 20.14-999 ?-999 ?-999 ? MG MG A 701 mILE^A 154 48.77 -2.87 21.75 47.86 -3.06 22.13 48.74 -3.29 19.35 47.50 -3.26 19.22 49.37 -3.67 20.69 49.19 -5.20 20.96 3 0 21.33-999 ?-999 ?-999 ? MG MG A 701 mILE^A 155 49.59 -2.98 18.38 50.55 -2.98 18.66 49.64 -3.74 16.07 50.84 -3.89 15.86 49.13 -2.66 17.03 49.58 -1.24 16.58 3 0 20.47-999 ?-999 ?-999 ? MG MG A 701 mGLU^A 156 48.70 -4.52 15.54 47.79 -4.36 15.92 48.21 -5.13 13.24 46.98 -5.03 13.26 48.97 -5.52 14.51 48.53 -6.91 14.96 2 0 23.32-999 ?-999 ?-999 ? MG MG A 701 mASN^A 157 48.95 -4.90 12.15 49.91 -5.13 12.25 47.71 -2.99 11.25 48.34 -2.13 11.89 48.36 -4.34 10.93 47.35 -5.32 10.32 2 0 23.45-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 158 46.46 -2.81 10.85 46.07 -3.57 10.34 44.95 -1.61 12.47 44.22 -0.67 12.78 45.72 -1.58 11.16-999.99-999.99-999.99 1 0 22.67-999 ?-999 ?-999 ? MG MG A 701 mASN^A 159 45.10 -2.69 13.23 45.80 -3.33 12.90 45.04 -2.62 15.73 46.03 -3.27 16.03 44.30 -2.89 14.43 43.71 -4.31 14.44 2 0 23.75-999 ?-999 ?-999 ? MG MG A 701 mALA^A 160 44.57 -1.62 16.47 43.86 -1.08 16.02 44.13 -2.08 18.83 42.90 -2.04 18.72 45.03 -1.37 17.83 45.07 0.13 18.10 2 0 21.82-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 161 44.74 -2.75 19.81 45.74 -2.74 19.74 44.83 -3.53 22.15 46.05 -3.69 22.11 44.00 -3.43 20.88 43.52 -4.82 20.42 3 0 24.19-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 162 44.16 -3.42 23.29 43.21 -3.14 23.19 44.93 -5.21 24.70 44.09 -5.96 24.21 44.80 -3.70 24.57-999.99-999.99-999.99 1 0 24.58-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 163 46.00 -5.66 25.35 46.60 -4.95 25.74 47.52 -7.44 26.18 48.37 -6.58 26.42 46.24 -7.09 25.47-999.99-999.99-999.99 1 0 26.71-999 ?-999 ?-999 ? MG MG A 701 mILE^A 164 47.63 -8.72 26.52 46.83 -9.27 26.30 49.21 -10.53 26.35 48.36 -11.38 26.05 48.82 -9.29 27.14 48.56 -9.70 28.62 3 0 27.93-999 ?-999 ?-999 ? MG MG A 701 mVAL^A 165 50.48 -10.61 25.99 51.02 -9.79 26.19 52.21 -12.28 26.20 53.10 -11.49 26.53 51.03 -11.81 25.36 51.47 -11.54 23.89 3 0 28.94-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 166 52.19 -13.56 26.57 51.39 -14.06 26.26 53.68 -15.49 26.77 52.83 -16.33 26.49 53.27 -14.15 27.36 52.85 -14.30 28.83 2 0 30.10-999 ?-999 ?-999 ? MG MG C 701 mALA^A 167 54.98 -15.66 26.58 55.54 -14.91 26.92 54.84 -17.19 24.61 54.42 -18.33 24.41 55.55 -16.85 25.92 55.56 -18.05 26.88 2 0 31.40-999 ?-999 ?-999 ? MG MG C 701 mSER^A 168 54.69 -16.19 23.75 54.99 -15.31 24.12 52.65 -16.64 22.28 52.11 -16.78 21.17 54.16 -16.35 22.38 54.96 -17.40 21.59 2 0 32.01-999 ?-999 ?-999 ? MG MG A 701 mALA^A 169 51.97 -16.71 23.42 52.53 -16.61 24.24 49.79 -15.77 24.11 50.22 -15.26 25.15 50.53 -16.93 23.44 50.19 -18.26 24.14 2 0 33.51-999 ?-999 ?-999 ? MG MG A 701 mALA^A 170 48.69 -15.36 23.49 48.52 -15.80 22.61 47.12 -14.89 25.32 46.61 -16.02 25.32 47.80 -14.34 24.06 46.77 -13.91 23.03 2 0 32.07-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 171 47.12 -14.11 26.39 47.59 -13.23 26.26 45.26 -13.63 27.90 44.36 -13.99 28.67 46.47 -14.52 27.63 47.46 -14.47 28.84 2 0 33.55-999 ?-999 ?-999 ? MG MG A 701 mGLU^A 172 45.25 -12.47 27.25 46.02 -12.35 26.62 44.20 -10.58 26.17 45.25 -10.11 25.74 44.20 -11.47 27.41 44.52 -10.63 28.64 2 0 31.87-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 173 43.02 -10.37 25.58 42.25 -10.79 26.05 41.60 -8.75 24.35 40.51 -9.31 24.37 42.89 -9.57 24.35 42.93 -10.47 23.08 2 0 30.24-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 174 41.75 -7.43 24.32 42.70 -7.12 24.36 40.03 -6.42 22.85 40.55 -7.03 21.92 40.61 -6.52 24.25-999.99-999.99-999.99 1 0 29.22-999 ?-999 ?-999 ? MG MG A 701 mSER^A 175 38.96 -5.64 22.70 38.61 -5.25 23.55 39.35 -4.60 20.53 40.23 -3.91 21.07 38.37 -5.41 21.38 37.02 -4.70 21.50 2 0 29.51-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 176 39.23 -4.70 19.21 38.48 -5.29 18.91 39.58 -2.66 17.87 38.36 -2.46 17.82 40.14 -4.00 18.32 40.53 -4.84 17.07 2 0 27.10-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 177 40.49 -1.74 17.55 41.43 -2.04 17.74 40.90 -0.28 15.68 42.13 -0.44 15.63 40.16 -0.44 17.00 40.54 0.68 17.97 3 0 24.76-999 ?-999 ?-999 ? MG MG A 701 mALA^A 178 40.17 0.01 14.61 39.18 0.07 14.80 41.35 1.63 13.18 40.63 2.63 13.23 40.76 0.23 13.29 39.73 -0.03 12.20 2 0 24.36-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 179 42.67 1.69 13.06 43.12 0.80 13.04 43.34 3.51 11.54 43.22 2.75 10.57 43.39 2.96 12.96 44.85 2.79 13.37 3 0 20.79-999 ?-999 ?-999 ? MG MG A 701 mSER^A 180 43.46 4.83 11.42 43.43 5.33 12.29 45.08 5.48 9.70 45.98 5.71 10.53 43.61 5.47 10.12 43.04 6.89 10.14 2 0 20.23-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 181 45.31 5.23 8.42 44.49 5.02 7.89 47.16 6.72 7.78 46.36 7.66 7.77 46.65 5.27 7.85 46.66 4.57 6.47 2 0 19.17-999 ?-999 ?-999 ? MG MG A 701 mSER^A 182 48.49 6.89 7.76 48.99 6.02 7.75 48.57 9.22 8.76 48.35 10.39 8.44 49.15 8.22 7.75 49.14 8.83 6.34 2 0 16.23-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 183 48.36 8.76 9.98 48.73 7.84 10.16 48.39 9.64 12.30 48.89 8.64 12.82 47.65 9.55 10.97 46.22 8.98 11.19 2 0 14.94-999 ?-999 ?-999 ? MG MG A 701 mTRP^A 184 48.43 10.85 12.86 48.03 11.57 12.30 48.10 10.65 15.31 46.94 11.07 15.38 49.02 11.07 14.17 49.44 12.53 14.33 3 0 11.92-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 185 48.62 9.81 16.20 49.55 9.50 15.96 48.70 9.68 18.66 49.91 9.97 18.61 47.92 9.37 17.40 47.61 7.87 17.33 3 0 12.90-999 ?-999 ?-999 ? MG MG A 701 mILE^A 186 48.01 9.63 19.79 47.02 9.53 19.65 48.19 8.48 21.90 47.02 8.10 21.89 48.63 9.71 21.10 48.23 11.00 21.87 3 0 12.41-999 ?-999 ?-999 ? MG MG A 701 mCYH^A 187 49.14 7.84 22.58 50.07 8.16 22.41 49.37 7.05 24.88 50.53 7.43 25.01 48.80 6.76 23.50 49.32 5.41 22.99 2 0 14.47-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 188 48.53 6.88 25.89 47.58 6.75 25.62 48.87 5.47 27.90 47.79 4.88 27.97 48.99 6.88 27.27 48.21 7.91 28.10 2 0 16.04-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 189 50.01 4.94 28.34 50.82 5.47 28.09 50.20 4.07 30.60 51.10 4.83 30.99 50.08 3.70 29.12 51.28 2.84 28.67 3 0 18.26-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 190 49.30 3.53 31.42 48.60 2.99 30.97 49.59 2.39 33.58 48.84 1.44 33.38 49.36 3.72 32.87 48.08 4.39 33.39 2 0 21.04-999 ?-999 ?-999 ? MG MG A 701 mMETA 191 50.65 2.35 34.39 51.24 3.16 34.31 50.15 1.51 36.56 50.21 2.61 37.13 50.93 1.25 35.28 52.44 1.17 35.56 2 0 21.62-999 ?-999 ?-999 ? MG MG C 701 mLEU^A 192 49.38 0.52 36.99 49.41 -0.30 36.41 49.35 -0.01 39.35 50.32 -0.74 39.14 48.58 0.62 38.19 47.21 -0.03 37.98 3 0 23.34-999 ?-999 ?-999 ? MG MG C 701 mTHR^A 193 48.93 0.30 40.58 48.06 0.79 40.62 49.69 -1.59 42.07 50.43 -2.06 42.93 49.71 -0.08 41.76 49.35 0.77 43.01 2 0 22.15-999 ?-999 ?-999 ? MG MG C 701 mASP^A 194 48.84 -2.32 41.35 48.24 -1.78 40.77 49.41 -4.45 40.17 49.26 -5.66 39.95 48.79 -3.79 41.42 47.34 -4.27 41.64 2 0 24.19-999 ?-999 ?-999 ? MG MG C 701 mASP^A 195 50.09 -3.63 39.36 50.07 -2.69 39.68 49.87 -4.43 36.96 50.33 -4.93 35.94 50.79 -4.06 38.13 51.86 -5.14 38.40 2 0 22.74-999 ?-999 ?-999 ? MG MG C 701 mARG^A 196 48.57 -4.18 37.12 48.30 -4.02 38.07 47.95 -2.86 35.23 48.70 -1.99 35.72 47.65 -4.14 36.00 46.19 -4.13 36.48 2 0 26.00-999 ?-999 ?-999 ? MG MG C 701 mPHE^A 197 47.39 -2.72 34.03 46.84 -3.50 33.73 46.32 -0.98 32.63 45.34 -1.71 32.49 47.60 -1.50 33.26 48.67 -1.71 32.18 3 0 25.25-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 198 46.33 0.29 32.26 47.06 0.86 32.65 45.96 1.57 30.20 46.90 2.33 30.41 45.33 0.78 31.34 44.17 1.49 32.07 2 0 23.94-999 ?-999 ?-999 ? MG MG A 701 mVAL^A 199 45.48 1.33 28.99 44.76 0.63 28.96 44.84 2.84 27.18 43.70 2.38 27.11 45.97 2.03 27.81 46.63 1.09 26.77 3 0 21.01-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 200 45.17 4.05 26.75 46.13 4.30 26.89 44.80 5.48 24.85 45.94 5.97 24.85 44.20 4.93 26.12 43.78 6.10 27.05 2 0 19.92-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 201 44.05 5.37 23.77 43.19 4.88 23.92 43.66 7.17 22.20 42.42 7.15 22.24 44.46 5.91 22.48 44.23 4.87 21.39 3 0 18.07-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 202 44.37 8.26 21.93 45.36 8.13 21.99 44.01 9.88 20.13 44.98 9.39 19.54 43.74 9.54 21.58 44.27 10.67 22.46 3 0 17.01-999 ?-999 ?-999 ? MG MG A 701 mSER^A 203 43.16 10.73 19.56 42.30 10.86 20.05 44.48 12.52 18.59 44.71 12.87 19.75 43.49 11.38 18.30 42.21 11.91 17.62 2 0 16.43-999 ?-999 ?-999 ? MG MG A 701 mASP^A 204 45.04 13.10 17.53 44.73 12.73 16.66 45.41 15.46 18.25 46.13 16.39 18.65 46.03 14.19 17.66 46.66 14.50 16.29 2 0 13.53-999 ?-999 ?-999 ? MG MG A 701 mSER^A 205 44.08 15.48 18.31 43.65 14.69 17.88 43.20 16.35 20.46 42.78 17.25 21.19 43.31 16.55 18.94 41.90 16.62 18.32 2 0 16.31-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 206 43.57 15.15 20.92 43.85 14.51 20.20 42.28 14.21 22.89 42.09 14.14 24.11 43.57 14.81 22.35-999.99-999.99-999.99 1 0 16.47-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 207 41.39 13.78 22.01 41.66 13.91 21.05 40.24 11.64 22.44 40.70 11.04 21.46 40.14 13.16 22.44 38.93 13.64 21.62 2 0 19.91-999 ?-999 ?-999 ? MG MG A 701 mGLN^A 208 39.81 11.02 23.54 39.42 11.63 24.23 39.19 8.81 22.60 38.05 9.14 22.27 39.93 9.57 23.71 39.51 9.12 25.13 2 0 21.04-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 209 39.87 7.84 21.99 40.79 7.71 22.35 39.05 5.61 21.30 38.18 4.93 20.76 39.30 7.05 20.89 40.22 7.06 19.67 3 0 21.87-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 210 39.86 5.14 22.25 40.47 5.83 22.64 40.57 3.65 24.01 41.53 4.38 24.26 39.86 3.75 22.68 40.56 2.87 21.63 3 0 23.06-999 ?-999 ?-999 ? MG MG A 701 mSER^A 211 40.08 2.76 24.87 39.26 2.30 24.54 40.61 0.98 26.47 39.71 0.29 25.99 40.68 2.47 26.17 39.96 3.23 27.28 2 0 23.93-999 ?-999 ?-999 ? MG MG A 701 mTYR^A 212 41.56 0.51 27.26 42.27 1.18 27.49 42.23 -0.93 29.11 43.36 -0.46 29.28 41.57 -0.87 27.75 42.31 -1.79 26.78 3 0 25.73-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 213 41.52 -1.51 30.06 40.59 -1.76 29.79 42.23 -3.28 31.53 41.28 -4.05 31.30 42.05 -1.77 31.39 41.11 -1.21 32.50 2 0 27.51-999 ?-999 ?-999 ? MG MG A 701 mSER^A 214 43.43 -3.71 31.89 44.09 -2.98 32.09 43.10 -5.83 33.17 42.87 -5.22 34.22 43.73 -5.14 31.97 45.24 -5.38 31.97 2 0 28.99-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 215 42.80 -7.12 33.00 42.97 -7.45 32.07 43.45 -8.52 34.91 43.45 -8.44 36.13 42.29 -7.96 34.08 41.42 -9.10 33.52 2 0 32.70-999 ?-999 ?-999 ? MG MG C 701 mALA^A 216 44.45 -9.08 34.22 44.31 -9.10 33.23 46.76 -8.59 34.91 46.67 -7.52 34.28 45.63 -9.62 34.88 46.10 -10.88 34.16 2 0 30.39-999 ?-999 ?-999 ? MG MG C 701 mALA^A 217 47.83 -8.91 35.64 47.72 -9.77 36.15 49.75 -8.09 34.35 49.76 -9.09 33.63 49.03 -8.09 35.69 49.96 -8.59 36.79 2 0 26.60-999 ?-999 ?-999 ? MG MG C 701 mMETA 218 50.34 -6.94 34.00 50.17 -6.19 34.64 52.31 -7.83 32.76 52.72 -8.38 33.81 51.17 -6.82 32.79 51.73 -5.39 32.68 2 0 25.05-999 ?-999 ?-999 ? MG MG C 701 mPHE^A 219 52.83 -8.09 31.56 52.27 -7.79 30.79 55.17 -7.86 32.01 55.24 -6.66 31.67 54.10 -8.77 31.42 54.44 -9.08 29.95 3 0 24.42-999 ?-999 ?-999 ? MG MG C 701 mARG^A 220 55.98 -8.42 32.90 55.75 -9.37 33.12 58.31 -8.61 33.55 58.19 -9.77 33.96 57.09 -7.70 33.50 56.74 -7.21 34.91 2 0 20.88-999 ?-999 ?-999 ? MG MG C 701 mALA^A 221 59.45 -8.09 33.12 59.35 -7.26 32.57 61.71 -7.64 33.90 62.05 -6.72 33.15 60.74 -8.71 33.44 61.31 -9.50 32.24 2 0 19.37-999 ?-999 ?-999 ? MG MG C 701 mASP^A 222 62.15 -7.76 35.16 61.81 -8.58 35.62 64.51 -7.02 35.46 65.36 -7.01 36.34 63.04 -6.77 35.78 62.82 -6.71 37.30 2 0 15.76-999 ?-999 ?-999 ? MG MG C 701 mASN^A 223 64.79 -7.23 34.17 63.97 -7.29 33.59 66.23 -6.82 32.23 65.24 -6.27 31.71 66.15 -7.37 33.66 66.64 -8.83 33.75 2 0 15.86-999 ?-999 ?-999 ? MG MG C 701 mALA^A 224 67.38 -6.98 31.59 68.06 -7.50 32.11 67.00 -7.22 29.09 67.24 -6.90 27.92 67.62 -6.42 30.25 69.11 -6.21 30.03 2 0 16.79-999 ?-999 ?-999 ? MG MG C 701 mTHR^A 225 66.19 -8.25 29.40 66.11 -8.44 30.38 64.21 -8.31 27.93 63.60 -8.66 26.92 65.50 -9.01 28.34 65.19 -10.49 28.74 2 0 20.40-999 ?-999 ?-999 ? MG MG C 701 mALA^A 226 63.80 -7.32 28.73 64.38 -7.16 29.53 62.89 -5.05 28.57 63.92 -4.65 29.12 62.61 -6.54 28.44 61.46 -6.95 29.38 2 0 19.75-999 ?-999 ?-999 ? MG MG C 701 mHIS^A 227 61.98 -4.25 28.03 61.32 -4.74 27.46 60.45 -2.40 28.27 59.58 -3.15 27.81 61.92 -2.81 28.25 62.64 -2.06 27.12 3 0 18.22-999 ?-999 ?-999 ? MG MG C 701 mILE^A 228 60.18 -1.21 28.80 60.96 -0.79 29.26 58.99 0.73 27.94 59.92 1.50 28.14 58.87 -0.59 28.73 58.25 -0.37 30.16 3 0 18.74-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 229 58.07 0.94 27.01 57.40 0.20 26.91 57.38 1.93 24.89 56.22 1.49 24.83 58.06 2.15 26.22-999.99-999.99-999.99 1 0 15.13-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 230 58.11 2.24 23.83 59.03 2.56 24.06 58.51 1.15 21.70 59.75 1.22 21.78 57.63 2.12 22.46 57.67 3.50 21.78 3 0 13.61-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 231 57.88 0.22 20.98 56.89 0.24 21.08 57.81 -0.97 18.87 56.64 -1.35 18.95 58.60 -0.72 20.14 58.85 -2.05 20.85 2 0 15.79-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 232 58.44 -0.76 17.73 59.36 -0.37 17.83 58.76 -2.10 15.74 59.99 -1.98 15.79 57.84 -1.09 16.44 57.55 0.18 15.59 2 0 16.22-999 ?-999 ?-999 ? MG MG A 701 mGLN^A 233 58.16 -3.11 15.12 57.17 -2.99 14.99 58.29 -4.80 13.35 57.08 -4.72 13.14 58.89 -4.27 14.66 58.83 -5.35 15.75 2 0 19.55-999 ?-999 ?-999 ? MG MG A 701 mCYH^A 234 59.15 -5.33 12.48 60.12 -5.18 12.71 58.90 -7.56 11.49 60.03 -8.05 11.63 58.69 -6.06 11.30 59.40 -5.58 10.03 2 0 22.13-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 235 57.80 -8.30 11.50 56.96 -7.78 11.31 58.38 -10.54 10.59 58.60 -11.75 10.70 57.82 -9.74 11.76 56.42 -10.23 12.12 2 0 25.57-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 236 58.63 -9.85 9.48 58.52 -8.86 9.57 60.41 -10.01 7.74 60.91 -8.97 8.18 59.03 -10.49 8.24 57.94 -10.31 7.17 2 0 27.34-999 ?-999 ?-999 ? MG MG A 701 mALA^A 237 61.02 -10.78 6.84 60.48 -11.58 6.57 62.32 -9.63 5.04 63.29 -9.58 4.28 62.35 -10.48 6.32 63.13 -11.77 6.08 2 0 28.22-999 ?-999 ?-999 ? MG MG A 701 mTHR^A 238 61.19 -8.95 4.83 60.50 -9.07 5.54 61.32 -6.64 4.00 60.73 -6.08 4.93 61.01 -8.09 3.65 59.56 -8.21 3.11 2 0 27.31-999 ?-999 ?-999 ? MG MG A 701 mALA^A 239 62.25 -6.06 3.26 62.65 -6.65 2.56 61.71 -3.72 2.73 61.06 -4.12 1.75 62.65 -4.67 3.46 64.09 -4.45 3.00 2 0 24.76-999 ?-999 ?-999 ? MG MG A 701 mGLY^A 240 61.63 -2.48 3.19 62.16 -2.31 4.02 59.49 -1.16 3.19 58.84 -0.17 2.87 60.81 -1.46 2.53-999.99-999.99-999.99 1 0 22.76-999 ?-999 ?-999 ? MG MG A 701 mILE^A 241 59.09 -2.03 4.13 59.71 -2.80 4.26 58.01 -0.75 5.92 58.86 -0.84 6.81 57.85 -1.86 4.88 57.39 -3.19 5.55 3 0 21.54-999 ?-999 ?-999 ? MG MG A 701 mSER^A 242 57.21 0.31 5.78 56.64 0.29 4.96 56.53 0.90 8.05 55.48 0.25 8.02 57.19 1.38 6.77 56.48 2.62 6.23 2 0 17.92-999 ?-999 ?-999 ? MG MG A 701 mLEU^A 243 57.18 1.21 9.17 58.07 1.64 9.02 56.17 2.25 11.08 56.11 3.27 10.38 56.64 0.93 10.48 57.68 0.22 11.37 3 0 16.28-999 ?-999 ?-999 ? MG MG A 701 mILE^A 244 55.82 2.24 12.36 56.00 1.36 12.81 56.31 4.41 13.38 57.30 4.07 14.03 55.23 3.38 13.03 54.50 2.91 14.32 3 0 13.39-999 ?-999 ?-999 ? MG MG A 701 mSER^A 245 56.12 5.65 12.93 55.29 5.75 12.38 56.77 7.32 14.59 55.64 7.30 15.07 57.04 6.76 13.21 56.87 7.89 12.19 2 0 9.93-999 ?-999 ?-999 ? MG MG A 701 mILE^A 246 57.81 7.87 15.22 58.66 7.86 14.69 58.17 9.87 16.65 59.25 10.23 16.19 57.70 8.42 16.56 58.40 7.50 17.63 3 0 6.98-999 ?-999 ?-999 ? MG MG A 701 mASP^A 247 57.33 10.70 17.25 56.48 10.25 17.54 58.19 12.31 18.89 59.22 12.95 19.07 57.60 12.11 17.48 56.29 12.88 17.29 2 0 -3.51-999 ?-999 ?-999 ? MG MG A 701s mLEU^A 248 57.53 11.73 19.90 56.85 11.05 19.63 57.43 10.98 22.22 56.39 10.35 22.06 57.82 12.10 21.27 57.08 13.41 21.62 3 0 4.47-999 ?-999 ?-999 ? MG MG A 701 mILE^A 249 58.29 10.73 23.19 59.15 11.23 23.12 58.28 10.47 25.62 59.20 11.29 25.74 57.99 9.80 24.27 58.70 8.42 24.11 3 0 8.05-999 ?-999 ?-999 ? MG MG A 701 mGLU^A 250 57.48 10.11 26.61 56.88 9.34 26.37 57.33 9.65 28.97 56.47 8.76 28.85 57.44 10.75 27.92 56.21 11.65 27.94 2 0 10.72-999 ?-999 ?-999 ? MG MG A 701 mPHE^A 251 58.20 9.69 29.98 58.91 10.39 29.87 57.94 9.59 32.43 58.76 10.45 32.75 58.13 8.78 31.15 59.40 7.94 31.29 3 0 14.35-999 ?-999 ?-999 ? MG MG A 701 mLYS^A 252 56.86 9.28 33.15 56.33 8.53 32.78 56.23 8.94 35.48 55.37 8.08 35.31 56.51 9.98 34.38 55.26 10.83 34.12 2 0 16.99-999 ?-999 ?-999 ? MG MG C 701 mALA^A 253 56.96 9.02 36.60 57.61 9.78 36.62 57.03 8.60 39.09 57.65 9.65 39.26 56.79 8.05 37.68 57.66 6.81 37.43 2 0 15.15-999 ?-999 ?-999 ? MG MG C 701 mLYS^A 254 56.50 7.88 40.08 55.94 7.11 39.77 57.88 7.35 42.02 57.95 6.15 41.77 56.72 8.19 41.49 55.46 7.92 42.31 2 0 14.72-999 ?-999 ?-999 ? MG MG C 701 mVAL^A 255 58.77 7.99 42.77 58.52 8.94 42.97 60.18 7.63 44.73 59.91 8.74 45.20 59.99 7.35 43.24 61.23 7.86 42.43 3 0 11.47-999 ?-999 ?-999 ? MG MG C 701 mSER^A 256 60.63 6.63 45.48 60.62 5.74 45.02 62.61 6.77 46.89 63.17 5.68 46.99 61.08 6.85 46.86 60.43 5.86 47.83 2 0 11.46-999 ?-999 ?-999 ? MG MG C 701 mALA^A 257 63.27 7.92 46.78 62.69 8.73 46.81 65.40 9.00 47.54 66.14 9.87 47.06 64.73 7.96 46.63 65.11 8.19 45.18 2 0 8.55-999 ?-999 ?-999 ? MG MG C 701 mTHR^A 258 65.16 8.88 48.84 64.53 8.14 49.07 67.10 9.22 50.34 67.13 8.25 51.11 65.77 9.76 49.82 64.83 9.95 51.03 2 0 10.74-999 ?-999 ?-999 ? MG MG C 701 mARG^A 259 68.21 9.82 49.91 68.10 10.47 49.16 70.09 10.63 51.35 69.86 11.80 51.06 69.50 9.49 50.55 70.54 8.87 49.60 2 0 9.95-999 ?-999 ?-999 ? MG MG C 701 mALA^A 260 70.86 10.26 52.37 70.94 9.27 52.48 72.37 12.19 52.45 73.05 11.81 51.50 71.53 11.21 53.25 72.39 10.47 54.25 2 0 12.99-999 ?-999 ?-999 ? MG MG C 701 mLYS^A 261 72.27 13.46 52.83 71.58 13.62 53.54 74.35 14.56 53.15 74.27 14.33 54.36 73.10 14.51 52.28 72.37 15.85 52.33 2 0 14.15-999 ?-999 ?-999 ? MG MG C 701 mVAL^A 262 75.50 14.81 52.53 75.41 14.89 51.54 77.49 16.22 52.83 78.44 16.67 53.46 76.75 14.96 53.27 77.69 13.71 53.14 3 0 16.06-999 ?-999 ?-999 ? MG MG C 701 mTHR^B 24 63.14 23.49 52.10 63.88 23.75 51.48 60.84 24.06 53.06 59.74 23.66 53.45 62.05 23.09 53.04 62.59 22.83 54.48 2 0 22.94-999 ?-999 ?-999 ? MG MG C 701 mTHR^B 25 61.05 25.31 52.65 62.00 25.50 52.40 59.93 27.06 51.24 60.99 27.42 50.72 59.96 26.29 52.58 60.00 27.30 53.76 2 0 26.12-999 ?-999 ?-999 ? MG MG C 701 mPRO^B 26 58.72 27.29 50.69 57.95 26.91 51.20 59.01 29.50 49.53 58.88 30.13 50.58 58.56 28.04 49.43 57.05 27.97 49.16 3 0 27.07-999 ?-999 ?-999 ? MG MG C 701 mGLY^B 27 59.54 30.03 48.43 59.55 29.42 47.64 60.57 31.85 47.06 60.28 31.23 46.03 60.06 31.40 48.41-999.99-999.99-999.99 1 0 29.08-999 ?-999 ?-999 ? MG MG C 701 mLEU^B 28 61.35 32.92 47.07 61.56 33.27 47.98 62.88 32.69 45.10 63.54 31.84 45.71 61.83 33.54 45.83 62.37 34.95 46.12 3 0 29.95-999 ?-999 ?-999 ? MG MG C 701 mMETB 29 63.00 32.92 43.80 62.31 33.55 43.44 65.23 33.25 42.92 65.06 34.45 42.72 64.03 32.30 42.97 63.47 32.03 41.56 2 0 26.92-999 ?-999 ?-999 ? MG MG B 701 mSER^B 30 66.43 32.71 43.12 66.41 31.73 43.31 68.11 33.77 41.63 67.75 33.02 40.73 67.66 33.50 43.08 68.78 32.81 43.87 2 0 24.77-999 ?-999 ?-999 ? MG MG B 701 mPRO^B 31 68.87 34.87 41.41 69.00 35.46 42.20 70.29 33.96 39.55 70.31 33.74 38.34 69.46 35.13 40.09 70.35 36.35 40.35 3 0 22.33-999 ?-999 ?-999 ? MG MG B 701 mSER^B 32 70.96 33.23 40.44 70.87 33.57 41.38 70.86 30.92 39.53 71.21 30.28 38.54 71.75 32.04 40.09 72.52 31.55 41.31 2 0 19.58-999 ?-999 ?-999 ? MG MG B 701 mGLU^B 33 69.71 30.71 40.17 69.58 31.29 40.97 68.09 30.09 38.42 67.87 29.24 37.55 68.74 29.70 39.74 67.68 29.48 40.82 2 0 20.76-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 34 67.78 31.38 38.27 67.98 31.94 39.07 68.14 31.73 35.83 67.70 31.38 34.74 67.19 31.90 37.03 66.77 33.37 37.21 2 0 21.07-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 35 69.43 31.99 36.06 69.61 32.30 36.99 70.62 30.38 34.57 70.72 30.14 33.37 70.48 31.83 35.05 71.82 32.37 35.58 3 0 17.46-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 36 70.61 29.43 35.51 70.50 29.79 36.44 69.60 27.50 34.35 69.79 26.74 33.41 70.75 28.00 35.20 70.82 27.16 36.49 2 0 16.20-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 37 68.39 27.95 34.69 68.39 28.57 35.47 67.13 28.15 32.56 66.55 27.55 31.64 67.19 27.55 33.97 65.96 27.91 34.79 3 0 18.69-999 ?-999 ?-999 ? MG MG B 701 mSER^B 38 67.74 29.33 32.37 68.18 29.69 33.19 68.54 29.23 30.02 68.28 29.35 28.82 67.75 30.00 31.08 68.32 31.42 31.20 2 0 17.78-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 39 69.51 28.45 30.47 69.60 28.42 31.46 70.14 26.19 29.66 71.01 25.39 29.30 70.37 27.71 29.56 71.85 28.06 29.78 2 0 14.42-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 40 68.95 25.81 30.11 68.37 26.57 30.42 68.35 23.86 28.74 67.66 24.48 27.92 68.55 24.41 30.16 67.27 24.26 31.00 3 0 16.08-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 41 68.96 22.71 28.46 69.51 22.36 29.21 67.41 21.53 26.98 66.85 20.87 27.86 68.84 22.03 27.16 69.83 20.85 27.07 2 0 14.71-999 ?-999 ?-999 ? MG MG A 701 mTHR^B 42 66.81 21.87 25.83 67.39 22.39 25.21 65.27 19.99 25.47 66.09 19.30 24.85 65.42 21.50 25.53 64.97 22.11 24.19 2 0 11.43-999 ?-999 ?-999 ? MG MG A 701 mSER^B 43 64.25 19.47 26.15 63.78 20.11 26.75 62.60 17.97 25.18 62.64 17.76 23.97 63.88 18.06 26.00 63.73 17.38 27.37 2 0 9.42-999 ?-999 ?-999 ? MG MG A 701 mILE^B 44 61.47 18.14 25.84 61.58 18.25 26.83 59.94 19.64 24.81 59.89 20.50 25.69 60.19 18.18 25.17 59.07 17.54 26.06 3 0 7.66-999 ?-999 ?-999 ? MG MG A 701 mALA^B 45 59.83 19.92 23.52 59.85 19.12 22.92 58.24 21.81 23.07 57.29 21.02 22.97 59.69 21.30 23.03 60.25 21.41 21.62 2 0 7.95-999 ?-999 ?-999 ? MG MG A 701 mTHR^B 46 58.11 23.12 23.25 58.96 23.58 23.51 56.95 24.93 22.06 56.42 24.80 20.95 56.83 23.81 23.10 56.28 24.35 24.44 2 0 10.47-999 ?-999 ?-999 ? MG MG A 701 mSER^B 47 57.67 26.00 22.40 58.06 25.95 23.32 59.32 27.56 21.29 59.62 28.38 20.41 57.85 27.14 21.48 57.01 28.34 21.94 2 0 12.74-999 ?-999 ?-999 ? MG MG A 701 mASP^B 48 60.21 27.00 22.10 59.83 26.29 22.70 62.56 26.20 22.02 62.21 25.09 22.45 61.61 27.40 22.11 61.92 28.21 23.39 2 0 13.22-999 ?-999 ?-999 ? MG MG A 701 mPHE^B 49 63.74 26.43 21.44 63.82 27.31 20.98 66.11 26.08 22.01 66.48 27.17 21.58 64.81 25.44 21.50 65.05 24.76 20.14 3 0 12.20-999 ?-999 ?-999 ? MG MG A 701 mTYR^B 50 66.77 25.40 22.93 66.26 24.63 23.31 68.98 24.51 23.55 68.54 23.52 24.13 68.12 25.75 23.36 68.11 26.57 24.66 3 0 14.72-999 ?-999 ?-999 ? MG MG A 701 mALA^B 51 70.22 24.59 23.07 70.38 25.40 22.51 72.63 24.22 23.34 72.90 25.15 22.59 71.24 23.57 23.33 71.18 22.46 22.29 2 0 13.54-999 ?-999 ?-999 ? MG MG B 701 mSER^B 52 73.49 23.72 24.22 73.12 22.99 24.80 75.75 23.07 24.68 75.30 22.10 25.29 74.85 24.22 24.30 74.96 25.33 25.34 2 0 9.76-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 53 77.03 23.17 24.31 77.24 23.94 23.71 79.36 22.90 24.96 79.79 23.66 24.08 78.01 22.21 24.79 78.08 20.96 23.88 3 0 7.14-999 ?-999 ?-999 ? MG MG B 701 mASP^B 54 80.02 22.63 26.08 79.65 21.84 26.58 82.49 22.58 26.50 83.50 23.01 27.02 81.18 23.39 26.55 80.91 23.94 27.97 2 0 -3.49-999 ?-999 ?-999 ? MG MG B 701s mPHE^B 55 82.45 21.41 25.86 81.53 21.12 25.62 84.56 20.27 26.77 85.78 20.42 26.72 83.67 20.64 25.56 84.45 21.28 24.38 3 0 4.58-999 ?-999 ?-999 ? MG MG B 701 mMETB 56 83.92 19.76 27.83 82.93 19.71 27.72 84.68 17.81 29.25 85.39 17.33 30.14 84.63 19.34 29.05 84.05 20.02 30.31 2 0 6.13-999 ?-999 ?-999 ? MG MG B 701 mMETB 57 83.95 17.07 28.41 83.46 17.61 27.73 85.03 14.88 27.83 85.54 15.33 26.78 83.86 15.60 28.50 82.55 15.08 27.86 2 0 9.58-999 ?-999 ?-999 ? MG MG B 701 mHIS^B 58 85.44 13.77 28.45 85.12 13.72 29.39 85.71 12.43 26.44 84.53 12.13 26.31 86.28 12.73 27.82 86.24 11.48 28.70 3 0 12.49-999 ?-999 ?-999 ? MG MG B 701 mSER^B 59 86.55 12.54 25.41 87.51 12.62 25.66 86.08 11.17 23.34 85.57 11.03 22.23 86.05 12.54 24.03 86.82 13.58 23.19 2 0 12.90-999 ?-999 ?-999 ? MG MG B 701 mILE^B 60 86.67 10.16 23.98 87.05 10.39 24.88 85.31 8.24 23.25 84.62 8.08 24.26 86.72 8.83 23.36 87.71 7.87 24.06 3 0 16.72-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 61 84.90 7.95 22.02 85.58 8.13 21.31 82.41 8.35 21.98 81.26 7.92 22.08 83.57 7.40 21.74-999.99-999.99-999.99 1 0 18.34-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 62 82.69 9.64 22.07 83.66 9.86 21.95 81.13 11.22 21.00 81.85 11.94 20.29 81.66 10.65 22.32 82.21 11.76 23.21 3 0 15.27-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 63 79.89 10.90 20.66 79.38 10.39 21.35 78.22 12.30 19.42 77.73 12.75 18.39 79.36 11.28 19.34 78.92 10.06 18.51 2 0 16.37-999 ?-999 ?-999 ? MG MG B 701 mSER^B 64 77.82 12.65 20.64 78.29 12.17 21.38 76.78 14.09 22.35 77.23 13.36 23.23 76.78 13.65 20.88 75.41 13.08 20.51 2 0 14.83-999 ?-999 ?-999 ? MG MG B 701 mALA^B 65 76.26 15.28 22.59 76.02 15.79 21.76 75.03 16.93 23.88 75.13 17.81 23.02 76.05 15.80 23.94 77.36 16.31 24.53 2 0 12.66-999 ?-999 ?-999 ? MG MG B 701 mASN^B 66 74.06 16.90 24.78 74.09 16.10 25.38 72.39 18.28 23.53 72.25 19.45 23.18 73.04 17.95 24.88 73.62 19.24 25.51 2 0 13.40-999 ?-999 ?-999 ? MG MG B 701 mASN^B 67 72.00 17.23 22.80 72.23 16.36 23.23 72.25 17.50 20.29 71.82 17.33 19.15 71.32 17.32 21.50 70.24 18.42 21.48 2 0 12.46-999 ?-999 ?-999 ? MG MG A 701 mILE^B 68 73.51 17.82 20.55 73.75 17.75 21.51 75.31 17.07 19.03 75.89 16.36 19.85 74.45 18.24 19.50 75.32 19.42 20.00 3 0 13.97-999 ?-999 ?-999 ? MG MG B 701 mSER^B 69 75.36 16.85 17.72 74.78 17.46 17.18 77.67 16.23 17.25 78.02 17.37 16.96 76.21 15.81 17.14 75.85 15.59 15.66 2 0 15.57-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 70 78.52 15.31 17.70 78.09 14.45 17.95 80.68 14.54 16.94 81.00 13.42 17.39 79.97 15.57 17.80 80.44 15.51 19.26 3 0 13.72-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 71 80.94 14.93 15.70 80.87 15.91 15.55 82.74 14.05 14.21 83.20 15.10 13.77 81.28 13.97 14.65 80.34 14.16 13.44 3 0 16.67-999 ?-999 ?-999 ? MG MG B 701 mSER^B 72 83.45 12.92 14.34 82.95 12.19 14.80 84.83 11.93 12.59 84.19 10.87 12.55 84.82 12.79 13.84 85.73 12.12 14.89 2 0 17.81-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 73 85.56 12.38 11.57 85.96 13.29 11.71 87.19 11.60 9.90 87.96 12.50 10.27 85.75 11.58 10.35 84.88 12.07 9.17 2 0 21.27-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 74 87.55 10.62 9.08 86.84 9.93 8.93 90.00 10.40 9.47 91.14 10.79 9.20 88.87 10.56 8.47-999.99-999.99-999.99 1 0 23.78-999 ?-999 ?-999 ? MG MG B 701 mASN^B 75 89.68 9.83 10.63 88.72 9.58 10.71 91.26 10.94 12.20 92.43 11.01 12.56 90.68 9.61 11.67 91.79 8.69 11.14 2 0 22.51-999 ?-999 ?-999 ? MG MG B 701 mILE^B 76 90.43 11.98 12.23 89.53 11.80 11.85 91.39 13.09 14.21 90.90 12.23 14.97 90.85 13.28 12.79 89.69 14.32 12.74 3 0 19.41-999 ?-999 ?-999 ? MG MG B 701 mSER^B 77 92.41 13.86 14.57 92.69 14.54 13.89 92.53 14.72 16.88 92.85 15.91 16.82 93.05 13.70 15.87 94.58 13.77 15.75 2 0 18.00-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 78 91.70 14.24 17.80 91.42 13.29 17.65 92.32 15.08 19.99 92.71 14.03 20.51 91.24 15.06 18.91 89.90 14.55 19.48 3 0 14.48-999 ?-999 ?-999 ? MG MG B 701 mGLN^B 79 92.80 16.27 20.32 92.43 17.04 19.79 93.11 16.31 22.74 91.88 16.24 22.81 93.79 16.40 21.38 94.55 17.73 21.25 2 0 13.93-999 ?-999 ?-999 ? MG MG B 701 mASN^B 80 93.89 16.31 23.81 94.87 16.31 23.60 92.50 17.56 25.43 92.84 18.65 24.98 93.34 16.32 25.16 94.45 16.24 26.21 2 0 12.67-999 ?-999 ?-999 ? MG MG B 701 mILE^B 81 91.40 17.38 26.16 91.16 16.41 26.30 91.51 19.28 27.64 92.25 18.72 28.46 90.62 18.49 26.69 89.34 18.00 27.45 3 0 9.11-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 82 91.44 20.60 27.50 90.90 20.90 26.71 91.15 22.69 28.68 90.10 22.80 28.06 92.10 21.52 28.41 93.42 22.01 27.80 3 0 8.73-999 ?-999 ?-999 ? MG MG B 701 mSER^B 83 91.52 23.53 29.64 92.26 23.19 30.22 91.97 25.89 29.72 93.11 25.65 30.11 90.88 24.83 29.81 90.20 24.92 31.17 2 0 7.29-999 ?-999 ?-999 ? MG MG B 701 mGLU^B 84 91.61 27.06 29.20 90.65 27.10 28.92 91.86 29.46 29.53 90.85 29.85 28.97 92.54 28.17 29.07 93.00 28.31 27.61 2 0 9.15-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 85 92.41 30.10 30.56 93.26 29.70 30.88 90.33 31.05 31.48 90.01 30.10 32.20 91.79 31.30 31.15-999.99-999.99-999.99 1 0 10.74-999 ?-999 ?-999 ? MG MG B 701 mASN^B 86 89.44 31.86 30.91 89.83 32.59 30.35 87.34 30.74 30.11 86.10 30.61 30.08 88.00 31.65 31.13 87.26 32.98 31.19 2 0 8.78-999 ?-999 ?-999 ? MG MG B 701 mHIS^B 87 88.15 30.11 29.26 89.12 30.37 29.35 87.71 27.76 28.92 88.74 27.08 28.90 87.65 29.15 28.30 88.39 29.25 26.95 3 0 5.56-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 88 86.57 27.39 29.49 85.81 28.02 29.33 86.05 25.04 29.36 84.97 25.05 28.81 86.43 26.18 30.28 85.35 26.40 31.34 3 0 -4.29-999 ?-999 ?-999 ? MG MG B 701s mGLY^B 89 86.93 24.06 29.20 87.78 24.18 29.73 86.91 23.32 26.89 86.08 23.97 26.27 86.67 22.92 28.33-999.99-999.99-999.99 1 0 -3.55-999 ?-999 ?-999 ? MG MG B 701s mVAL^B 90 88.07 22.95 26.36 88.64 22.41 26.98 88.88 22.01 24.29 89.64 21.22 24.84 88.45 23.29 25.00 89.63 24.30 24.97 3 0 4.87-999 ?-999 ?-999 ? MG MG B 701 mGLN^B 91 88.39 21.82 23.06 87.74 22.52 22.77 89.69 21.11 21.07 89.21 21.63 20.07 88.78 20.68 22.23 87.53 19.96 21.71 2 0 7.73-999 ?-999 ?-999 ? MG MG B 701 mPRO^B 92 91.03 20.92 21.23 91.32 20.61 22.13 91.92 20.00 19.11 91.66 18.85 19.49 91.95 21.16 20.12 93.33 21.24 20.80 3 0 10.88-999 ?-999 ?-999 ? MG MG B 701 mILE^B 93 92.22 20.31 17.85 92.58 21.23 17.73 93.20 19.40 15.78 93.67 20.48 15.39 92.01 19.37 16.76 90.68 19.67 16.02 3 0 13.86-999 ?-999 ?-999 ? MG MG B 701 mVAL^B 94 93.68 18.21 15.41 93.16 17.43 15.77 94.55 17.15 13.36 93.81 16.18 13.51 94.86 18.08 14.54 96.09 17.55 15.34 3 0 17.61-999 ?-999 ?-999 ? MG MG B 701 mSER^B 95 95.11 17.46 12.19 95.72 18.25 12.23 95.42 15.30 10.97 96.28 14.96 11.80 94.83 16.70 10.96 95.36 17.45 9.72 2 0 20.76-999 ?-999 ?-999 ? MG MG B 701 mSER^B 96 94.96 14.49 10.02 94.27 14.91 9.44 95.99 12.93 8.42 96.16 13.90 7.68 95.43 13.12 9.84 94.28 12.15 10.08 2 0 23.52-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 97 96.24 11.69 8.04 96.10 11.00 8.75 95.51 11.20 5.70 95.69 10.77 4.55 96.69 11.38 6.68 97.58 10.12 6.66 2 0 27.28-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 98 94.30 11.55 6.14 94.28 11.85 7.10 92.66 12.87 4.88 92.31 13.70 5.73 93.11 11.47 5.28 91.95 10.73 5.97 2 0 26.90-999 ?-999 ?-999 ? MG MG B 701 mALA^B 99 92.68 13.14 3.58 93.01 12.39 2.99 90.76 14.57 3.42 90.00 13.60 3.31 92.24 14.43 3.08 92.49 14.56 1.58 2 0 27.15-999 ?-999 ?-999 ? MG MG B 701 mASN^B 100 90.40 15.77 3.87 91.16 16.41 3.95 88.54 15.62 5.60 87.37 15.80 5.95 89.02 16.13 4.23 88.04 15.78 3.10 2 0 24.69-999 ?-999 ?-999 ? MG MG B 701 mALA^B 101 89.44 15.00 6.37 90.28 14.77 5.87 88.70 15.90 8.53 89.21 17.01 8.37 89.22 14.68 7.79 90.52 14.19 8.44 2 0 22.18-999 ?-999 ?-999 ? MG MG B 701 mSER^B 102 87.69 15.69 9.35 87.43 14.74 9.48 86.48 16.50 11.37 86.30 15.33 11.74 87.03 16.82 10.00 85.91 17.38 9.10 2 0 18.87-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 103 86.25 17.56 12.13 86.66 18.41 11.80 84.29 18.45 13.21 84.47 19.62 12.83 85.46 17.49 13.34 86.27 17.83 14.59 3 0 15.44-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 104 83.09 17.97 13.53 83.11 17.03 13.87 81.02 18.71 14.67 80.68 17.63 15.18 81.87 18.76 13.40 81.07 18.26 12.18 3 0 14.96-999 ?-999 ?-999 ? MG MG B 701 mALA^B 105 80.68 19.89 15.18 81.14 20.67 14.75 78.52 20.74 15.73 78.59 21.91 15.40 79.74 20.01 16.28 80.35 20.78 17.43 2 0 12.48-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 106 77.40 20.03 15.60 77.41 19.11 16.00 74.98 19.85 15.05 74.93 18.82 15.72 76.25 20.63 14.93-999.99-999.99-999.99 1 0 14.96-999 ?-999 ?-999 ? MG MG B 701 mMETB 107 73.93 20.35 14.39 74.12 21.19 13.89 72.06 19.60 13.01 72.57 20.24 12.08 72.63 19.69 14.42 71.66 20.45 15.35 2 0 14.46-999 ?-999 ?-999 ? MG MG A 701 mLEU^B 108 71.03 18.77 12.86 70.80 18.27 13.70 69.54 19.88 11.26 68.97 20.53 12.15 70.32 18.61 11.60 69.36 17.42 11.65 3 0 13.20-999 ?-999 ?-999 ? MG MG A 701 mMETB 109 69.51 20.22 9.97 69.97 19.55 9.38 67.36 21.32 9.38 66.65 22.34 9.44 68.88 21.44 9.46 69.46 21.80 8.09 2 0 14.40-999 ?-999 ?-999 ? MG MG A 701 mALA^B 110 66.86 20.09 9.26 67.54 19.36 9.24 64.69 20.35 10.40 63.53 20.75 10.34 65.41 19.84 9.16 65.11 18.37 8.94 2 0 11.90-999 ?-999 ?-999 ? MG MG A 701 mILE^B 111 65.38 20.35 11.53 66.33 20.03 11.45 64.85 22.33 12.98 64.23 22.87 13.89 64.76 20.80 12.77 65.20 19.95 14.00 3 0 9.59-999 ?-999 ?-999 ? MG MG A 701 mPHE^B 112 65.60 23.00 12.10 66.14 22.43 11.48 65.20 24.98 10.67 66.05 25.41 9.88 65.61 24.46 12.05 66.97 25.04 12.49 3 0 12.90-999 ?-999 ?-999 ? MG MG A 701 mPRO^B 113 63.88 24.95 10.37 63.29 24.50 11.03 63.62 27.06 9.20 63.86 27.58 10.29 63.42 25.55 9.12 61.93 25.19 9.09 3 0 14.54-999 ?-999 ?-999 ? MG MG A 701 mLYS^B 114 63.53 27.76 8.07 63.25 27.21 7.28 63.01 30.06 9.03 63.49 31.11 9.48 63.81 29.20 8.01 63.67 29.73 6.58 2 0 18.08-999 ?-999 ?-999 ? MG MG A 701 mGLU^B 115 61.82 29.58 9.40 61.59 28.71 8.95 61.44 30.21 11.81 61.02 31.01 12.64 60.94 30.25 10.36 59.54 29.62 10.33 2 0 17.29-999 ?-999 ?-999 ? MG MG A 701 mSER^B 116 62.33 29.26 12.10 62.60 28.69 11.32 63.83 30.21 13.85 64.08 30.42 15.04 62.87 29.09 13.45 63.58 27.75 13.58 2 0 15.32-999 ?-999 ?-999 ? MG MG A 701 mGLU^B 117 64.37 30.90 12.85 64.02 30.63 11.95 66.54 31.54 13.95 66.92 32.28 14.85 65.38 31.95 13.02 64.72 33.24 13.49 2 0 18.74-999 ?-999 ?-999 ? MG MG A 701 mLEU^B 118 67.09 30.35 13.69 66.67 29.88 12.92 69.36 30.78 14.58 69.72 31.49 13.64 68.20 29.81 14.46 68.68 28.48 13.84 3 0 17.63-999 ?-999 ?-999 ? MG MG A 701 mGLU^B 119 69.94 30.80 15.77 69.50 30.23 16.45 72.11 30.61 16.66 71.81 29.92 17.63 71.11 31.59 16.06 70.74 32.69 17.05 2 0 18.19-999 ?-999 ?-999 ? MG MG B 701 mVAL^B 120 73.29 30.52 16.03 73.35 31.08 15.21 75.52 30.58 16.95 75.90 31.52 16.23 74.38 29.68 16.51 74.88 28.70 15.41 3 0 14.99-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 121 76.06 30.31 18.13 75.64 29.54 18.61 78.34 30.12 18.94 78.17 29.11 19.62 77.18 31.07 18.66 76.78 31.83 19.94 2 0 12.35-999 ?-999 ?-999 ? MG MG B 701 mVAL^B 122 79.51 30.44 18.40 79.51 31.30 17.89 81.87 30.39 19.13 82.18 31.49 18.66 80.69 29.59 18.56 81.10 28.89 17.22 3 0 10.06-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 123 82.51 29.82 20.15 82.08 28.98 20.48 84.85 29.49 20.32 84.85 28.29 20.63 83.71 30.39 20.74 83.59 30.43 22.27 3 0 8.10-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 124 85.82 30.06 19.60 85.76 31.05 19.53 88.23 29.93 18.97 88.32 31.15 19.05 86.87 29.25 18.97 86.47 28.88 17.53 3 0 9.25-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 125 89.29 29.12 18.86 89.06 28.15 18.77 91.39 29.20 17.61 91.38 28.01 17.24 90.66 29.64 18.86 91.44 29.18 20.10 2 0 11.18-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 126 92.00 30.17 16.94 91.84 31.09 17.30 94.10 29.16 16.21 94.56 29.33 17.33 92.83 29.90 15.78 93.20 31.21 15.04 2 0 14.77-999 ?-999 ?-999 ? MG MG B 701 mPRO^B 127 94.67 28.33 15.31 94.17 28.23 14.45 97.15 28.56 15.72 97.04 29.75 15.40 95.93 27.63 15.60 96.09 26.70 14.37 3 0 16.37-999 ?-999 ?-999 ? MG MG B 701 mSER^B 128 98.29 28.03 16.16 98.22 27.07 16.42 100.13 29.17 14.89 100.90 30.11 14.77 99.53 28.82 16.25 100.58 28.12 17.13 2 0 18.93-999 ?-999 ?-999 ? MG MG B 701 mALA^B 129 99.80 28.38 13.87 99.25 27.58 14.12 99.05 28.39 11.54 98.43 27.33 11.60 100.21 28.66 12.50 101.43 27.83 12.12 2 0 21.71-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 130 98.76 29.34 10.67 99.26 30.20 10.81 98.41 28.27 8.50 99.64 28.18 8.39 97.79 29.13 9.60 97.27 30.45 9.03 3 0 22.24-999 ?-999 ?-999 ? MG MG B 701 mASN^B 131 97.56 27.65 7.70 96.60 27.88 7.87 96.86 26.71 5.60 95.68 26.69 5.96 97.98 26.72 6.66 98.17 25.32 7.28 2 0 24.41-999 ?-999 ?-999 ? MG MG B 701 mPRO^B 132 97.23 26.77 4.29 98.21 26.80 4.12 95.22 25.61 3.24 94.14 25.70 2.65 96.20 26.80 3.23 97.02 26.81 1.93 3 0 26.46-999 ?-999 ?-999 ? MG MG B 701 mALA^B 133 95.61 24.54 3.92 96.50 24.63 4.36 93.65 23.43 5.02 92.73 22.63 4.99 94.78 23.32 3.99 95.65 22.10 4.28 2 0 25.15-999 ?-999 ?-999 ? MG MG B 701 mGLN^B 134 93.75 24.39 5.93 94.57 24.96 5.85 91.41 25.16 6.41 91.39 26.25 5.79 92.71 24.59 6.96 93.22 25.51 8.08 2 0 21.54-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 135 90.31 24.45 6.64 90.46 23.58 7.10 88.00 24.80 7.41 87.70 23.69 7.86 88.99 24.95 6.26 88.46 24.23 5.01 3 0 21.05-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 136 87.48 25.94 7.88 87.80 26.76 7.40 85.25 26.68 8.60 85.28 27.65 7.83 86.55 25.96 9.00 87.21 26.59 10.25 2 0 17.94-999 ?-999 ?-999 ? MG MG B 701 mVAL^B 137 84.13 26.18 9.09 84.27 25.39 9.70 82.01 26.91 10.05 81.92 25.98 10.86 82.81 26.73 8.76 82.00 25.79 7.82 3 0 18.15-999 ?-999 ?-999 ? MG MG B 701 mILE^B 138 81.46 28.10 10.23 81.84 28.84 9.67 79.12 28.60 10.39 79.03 29.65 9.76 80.39 28.28 11.20 80.70 29.34 12.27 3 0 16.38-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 139 78.19 27.66 10.42 78.38 26.92 11.06 76.71 26.34 9.03 77.07 25.33 9.63 76.99 27.72 9.59-999.99-999.99-999.99 1 0 18.85-999 ?-999 ?-999 ? MG MG B 701 mSER^B 140 76.09 26.30 7.85 75.93 27.20 7.43 76.82 24.42 6.45 77.67 25.14 5.92 75.68 25.04 7.26 74.44 25.24 6.39 2 0 21.32-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 141 76.84 23.09 6.36 76.05 22.63 6.77 77.64 20.96 5.34 76.85 20.31 6.03 77.94 22.40 5.68 79.25 22.43 6.55 2 0 22.17-999 ?-999 ?-999 ? MG MG B 701 mSER^B 142 78.28 20.46 4.29 78.68 21.15 3.68 78.94 18.35 5.32 79.84 18.89 5.99 78.39 19.02 4.06 79.34 18.73 2.90 2 0 23.96-999 ?-999 ?-999 ? MG MG A 701 mILE^B 143 78.42 17.17 5.62 77.72 16.85 4.98 80.18 15.72 6.48 80.52 15.52 5.31 78.84 16.41 6.78 77.72 15.39 7.17 3 0 22.43-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 144 80.95 15.41 7.52 80.64 15.82 8.38 83.20 14.93 6.43 83.77 16.02 6.50 82.13 14.55 7.43-999.99-999.99-999.99 1 0 22.10-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 145 83.50 14.01 5.51 82.94 13.18 5.56 84.09 15.11 3.37 84.90 15.54 2.55 84.56 14.22 4.52 85.08 12.88 3.98 3 0 24.74-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 146 82.79 15.39 3.32 82.25 14.95 4.04 82.77 17.67 2.32 83.05 18.24 3.38 82.22 16.25 2.30-999.99-999.99-999.99 1 0 26.08-999 ?-999 ?-999 ? MG MG B 701 mILE^B 147 82.93 18.24 1.13 82.62 17.67 0.37 82.79 20.34 -0.17 83.27 21.37 -0.64 83.51 19.57 0.97 85.07 19.48 0.81 3 0 26.38-999 ?-999 ?-999 ? MG MG B 701 mSER^B 148 81.62 19.84 -0.56 81.29 19.09 0.02 79.99 21.53 -1.44 79.71 22.34 -2.33 80.89 20.34 -1.74 80.08 19.21 -2.39 2 0 29.09-999 ?-999 ?-999 ? MG MG B 701 mASP^B 149 79.54 21.65 -0.18 79.92 20.97 0.45 78.87 23.24 1.61 79.19 22.49 2.54 78.59 22.67 0.22 77.18 22.10 0.20 2 0 27.25-999 ?-999 ?-999 ? MG MG B 701 mARG^B 150 78.73 24.55 1.73 78.54 25.02 0.87 78.32 26.68 2.88 78.35 27.26 1.79 78.84 25.25 3.01 80.30 25.29 3.51 2 0 24.37-999 ?-999 ?-999 ? MG MG B 701 mSER^B 151 77.85 27.24 3.99 77.75 26.63 4.77 77.56 29.20 5.42 77.17 28.51 6.37 77.53 28.66 4.01 76.17 28.95 3.35 2 0 24.02-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 152 78.04 30.42 5.55 78.33 30.84 4.69 79.43 31.81 6.92 79.84 32.47 5.96 78.12 31.08 6.85-999.99-999.99-999.99 1 0 21.72-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 153 80.10 31.71 8.07 79.61 31.25 8.81 82.44 31.15 7.85 82.55 30.14 8.55 81.45 32.25 8.18 81.74 32.84 9.57 3 0 20.15-999 ?-999 ?-999 ? MG MG B 701 mILE^B 154 83.15 31.36 6.75 82.96 32.22 6.29 85.50 30.94 6.64 85.76 32.13 6.52 84.13 30.40 6.28 83.98 30.16 4.74 3 0 21.20-999 ?-999 ?-999 ? MG MG B 701 mILE^B 155 86.37 30.06 7.14 86.00 29.15 7.31 88.64 29.53 6.59 88.65 28.31 6.80 87.76 30.43 7.41 88.10 30.33 8.93 3 0 20.41-999 ?-999 ?-999 ? MG MG B 701 mGLU^B 156 89.35 30.12 5.62 89.13 31.09 5.50 91.71 30.01 5.11 91.90 31.23 4.96 90.34 29.42 4.82 90.04 29.56 3.33 2 0 23.20-999 ?-999 ?-999 ? MG MG B 701 mASN^B 157 92.66 29.17 5.51 92.38 28.21 5.54 93.79 30.69 7.00 93.04 30.43 7.95 93.99 29.64 5.88 94.70 30.21 4.65 2 0 23.50-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 158 94.38 31.87 6.87 94.94 31.97 6.05 93.07 33.92 7.62 93.01 34.96 8.29 94.19 32.92 7.87-999.99-999.99-999.99 1 0 22.77-999 ?-999 ?-999 ? MG MG B 701 mASN^B 159 92.20 33.62 6.66 92.32 32.71 6.26 89.75 34.07 6.58 89.34 32.99 6.16 91.15 34.55 6.24 91.23 34.79 4.72 2 0 23.66-999 ?-999 ?-999 ? MG MG B 701 mALA^B 160 89.01 34.89 7.32 89.52 35.66 7.70 86.77 35.47 6.53 87.16 36.58 6.14 87.58 34.67 7.55 87.18 35.09 8.97 2 0 21.77-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 161 85.64 34.92 6.09 85.47 34.00 6.44 83.35 35.00 5.23 83.20 33.78 5.40 84.73 35.63 5.19 85.26 35.64 3.74 3 0 24.06-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 162 82.33 35.83 5.06 82.56 36.80 5.10 80.93 34.80 3.40 81.53 35.40 2.49 80.98 35.31 4.83-999.99-999.99-999.99 1 0 24.46-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 163 80.26 33.68 3.19 79.86 33.26 4.00 79.26 31.93 1.71 78.81 31.35 2.72 80.14 33.15 1.84-999.99-999.99-999.99 1 0 26.55-999 ?-999 ?-999 ? MG MG B 701 mILE^B 164 79.05 31.54 0.46 79.48 32.13 -0.23 79.01 29.58 -0.98 79.51 30.16 -1.96 78.26 30.36 0.10 76.84 30.74 -0.42 3 0 27.86-999 ?-999 ?-999 ? MG MG B 701 mVAL^B 165 79.10 28.27 -0.77 78.75 27.99 0.12 78.57 26.28 -1.92 78.01 25.77 -0.95 79.64 27.34 -1.73 80.94 26.67 -1.20 3 0 28.97-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 166 78.26 25.98 -3.18 78.75 26.53 -3.86 77.83 24.09 -4.69 78.40 24.62 -5.64 77.31 24.93 -3.53 75.94 25.53 -3.86 2 0 29.85-999 ?-999 ?-999 ? MG MG A 701 mALA^B 167 77.64 22.77 -4.59 77.15 22.50 -3.76 79.60 22.10 -5.98 79.95 22.11 -7.16 78.13 21.83 -5.60 77.23 21.86 -6.83 2 0 31.04-999 ?-999 ?-999 ? MG MG A 701 mSER^B 168 80.43 22.32 -4.96 79.95 22.35 -4.08 82.30 23.79 -5.79 83.41 23.89 -6.31 81.88 22.50 -5.08 82.55 21.27 -5.74 2 0 32.04-999 ?-999 ?-999 ? MG MG B 701 mALA^B 169 81.41 24.78 -5.81 80.52 24.56 -5.41 81.16 27.20 -5.58 79.99 27.15 -5.17 81.75 26.06 -6.39 81.28 26.14 -7.85 2 0 33.28-999 ?-999 ?-999 ? MG MG B 701 mALA^B 170 81.98 28.22 -5.33 82.92 28.06 -5.62 80.39 30.03 -5.53 80.44 30.03 -6.77 81.53 29.45 -4.70 82.66 30.44 -4.62 2 0 31.91-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 171 79.36 30.50 -4.84 79.43 30.39 -3.85 78.21 32.60 -5.13 77.71 33.45 -5.87 78.23 31.13 -5.52 76.89 30.46 -5.12 2 0 33.41-999 ?-999 ?-999 ? MG MG B 701 mGLU^B 172 78.81 32.89 -3.98 79.30 32.11 -3.58 79.88 34.27 -2.30 80.03 33.35 -1.50 78.76 34.20 -3.35 77.41 34.33 -2.68 2 0 31.97-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 173 80.66 35.35 -2.31 80.37 36.06 -2.95 82.03 36.87 -0.91 82.22 37.79 -1.69 81.83 35.45 -1.43 83.14 34.98 -2.15 2 0 30.17-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 174 81.96 37.03 0.41 81.74 36.20 0.92 83.67 38.72 1.04 84.53 37.94 0.63 82.20 38.33 1.03-999.99-999.99-999.99 1 0 29.06-999 ?-999 ?-999 ? MG MG B 701 mSER^B 175 83.95 39.93 1.51 83.16 40.49 1.75 86.02 39.59 2.76 85.36 39.18 3.73 85.34 40.37 1.64 85.45 41.87 1.86 2 0 29.48-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 176 87.32 39.37 2.63 87.73 39.75 1.79 88.52 39.52 4.79 88.74 40.72 4.60 88.07 38.62 3.64 89.29 37.90 3.03 2 0 27.11-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 177 88.65 38.92 5.97 88.35 37.96 5.95 90.31 38.69 7.70 90.11 37.52 8.02 89.16 39.56 7.16 88.05 39.69 8.21 3 0 24.90-999 ?-999 ?-999 ? MG MG B 701 mALA^B 178 91.50 39.26 7.79 91.50 40.23 7.53 92.70 38.30 9.73 92.69 39.26 10.51 92.70 38.53 8.22 93.96 39.28 7.79 2 0 24.46-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 179 92.70 37.03 10.13 92.66 36.37 9.37 94.17 36.59 12.08 95.13 36.52 11.31 92.74 36.64 11.53 92.07 35.27 11.73 3 0 20.96-999 ?-999 ?-999 ? MG MG B 701 mSER^B 180 94.29 36.60 13.40 93.43 36.73 13.89 95.68 35.02 14.58 94.67 34.41 14.94 95.58 36.45 14.06 95.72 37.45 15.21 2 0 20.50-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 181 96.90 34.49 14.61 97.61 35.08 14.23 96.94 33.16 16.68 96.98 34.22 17.32 97.16 33.17 15.17 98.61 32.72 14.91 2 0 19.17-999 ?-999 ?-999 ? MG MG B 701 mSER^B 182 96.72 31.97 17.23 96.68 31.23 16.56 95.65 32.79 19.36 95.99 33.32 20.41 96.57 31.77 18.68 97.93 31.75 19.37 2 0 16.20-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 183 94.49 33.04 18.75 94.30 32.45 17.97 92.18 33.55 19.36 91.70 32.83 18.49 93.60 34.09 19.23 93.65 35.33 18.27 2 0 15.05-999 ?-999 ?-999 ? MG MG B 701 mTRP^B 184 91.53 33.88 20.48 92.09 34.38 21.14 89.19 34.52 19.98 89.36 35.75 20.04 90.13 33.55 20.69 89.82 33.52 22.18 3 0 12.01-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 185 88.20 33.94 19.30 88.23 32.94 19.33 85.80 34.14 18.91 85.66 33.02 19.43 87.17 34.69 18.58 87.38 34.58 17.07 3 0 13.01-999 ?-999 ?-999 ? MG MG B 701 mILE^B 186 84.79 34.94 18.59 85.07 35.84 18.26 82.71 34.78 17.37 82.94 35.80 16.73 83.40 34.53 18.72 82.66 35.31 19.86 3 0 12.49-999 ?-999 ?-999 ? MG MG B 701 mCYH^B 187 81.86 33.85 16.94 81.84 33.02 17.49 79.61 33.77 16.08 79.30 32.79 16.77 81.05 34.08 15.75 81.53 33.22 14.57 2 0 14.63-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 188 78.72 34.63 15.59 79.13 35.43 15.14 76.75 34.27 14.28 77.00 35.11 13.40 77.29 34.42 15.70 76.64 35.59 16.45 2 0 16.12-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 189 76.06 33.16 14.05 76.04 32.53 14.82 73.92 33.08 13.03 73.37 32.49 13.95 75.41 32.90 12.78 75.71 31.46 12.32 3 0 18.34-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 190 73.27 33.92 12.22 73.85 34.35 11.52 71.07 33.81 11.08 71.30 34.38 10.01 71.84 34.17 12.36 71.58 35.63 12.78 2 0 21.12-999 ?-999 ?-999 ? MG MG B 701 mMETB 191 70.14 32.85 11.21 70.14 32.44 12.12 68.11 33.48 9.99 67.42 33.82 10.96 69.23 32.45 10.14 68.66 31.05 10.45 2 0 21.61-999 ?-999 ?-999 ? MG MG A 701 mLEU^B 192 67.94 34.00 8.77 68.61 33.68 8.10 65.64 34.22 7.92 65.74 33.07 7.48 66.87 34.95 8.47 67.37 36.03 7.52 3 0 23.46-999 ?-999 ?-999 ? MG MG A 701 mTHR^B 193 64.48 34.88 7.95 64.57 35.85 8.20 63.03 33.76 6.18 62.15 32.93 5.89 63.20 34.22 7.63 61.99 35.09 8.03 2 0 22.33-999 ?-999 ?-999 ? MG MG A 701 mASP^B 194 63.84 34.30 5.28 64.44 35.01 5.64 65.00 32.92 3.59 65.34 32.67 2.43 63.84 33.88 3.88 63.90 35.11 2.96 2 0 24.18-999 ?-999 ?-999 ? MG MG A 701 mASP^B 195 65.59 32.38 4.66 65.18 32.70 5.51 68.07 32.04 4.17 69.03 31.31 3.88 66.72 31.44 4.61 66.36 30.17 3.81 2 0 22.60-999 ?-999 ?-999 ? MG MG A 701 mARG^B 196 68.15 33.37 4.14 67.26 33.83 4.18 70.07 34.04 5.45 69.43 33.60 6.41 69.42 34.08 4.06 69.22 35.52 3.60 2 0 25.81-999 ?-999 ?-999 ? MG MG A 701 mPHE^B 197 71.31 34.50 5.56 71.72 34.82 4.70 72.82 35.78 7.08 73.25 36.45 6.13 72.00 34.52 6.85 72.89 33.28 7.03 3 0 25.25-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 198 73.01 36.11 8.36 72.41 35.64 9.00 75.01 36.42 9.70 74.62 35.75 10.66 74.01 37.09 8.77 73.38 38.31 9.45 2 0 23.98-999 ?-999 ?-999 ? MG MG B 701 mVAL^B 199 76.30 36.56 9.40 76.47 36.97 8.50 78.11 37.36 10.84 78.37 38.31 10.08 77.35 36.15 10.33 78.35 35.11 9.73 3 0 21.03-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 200 78.45 37.31 12.12 78.13 36.50 12.60 80.38 37.75 13.48 80.22 36.74 14.16 79.22 38.38 12.75 78.36 39.19 13.73 2 0 20.02-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 201 81.56 38.35 13.30 81.53 39.12 12.66 83.15 38.95 15.01 83.15 40.16 14.73 82.78 37.91 13.95 83.91 37.76 12.94 3 0 18.25-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 202 83.49 38.45 16.19 83.52 37.45 16.22 85.14 38.91 17.94 85.55 37.75 17.85 83.81 39.29 17.34 82.79 39.08 18.46 3 0 17.11-999 ?-999 ?-999 ? MG MG B 701 mSER^B 203 85.79 39.88 18.58 85.43 40.80 18.43 86.47 38.83 20.68 85.25 38.76 20.97 86.93 39.60 19.45 87.62 40.90 19.87 2 0 16.54-999 ?-999 ?-999 ? MG MG B 701 mASP^B 204 87.42 38.27 21.42 88.34 38.39 21.06 86.45 38.42 23.74 85.83 37.91 24.67 87.10 37.54 22.66 88.34 36.84 23.22 2 0 13.48-999 ?-999 ?-999 ? MG MG B 701 mSER^B 205 86.59 39.74 23.60 87.16 40.01 22.83 84.58 41.13 23.98 83.84 41.85 24.65 85.94 40.67 24.52 86.85 41.87 24.83 2 0 15.91-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 206 84.26 40.70 22.76 85.00 40.22 22.29 82.80 42.11 21.26 81.69 42.48 20.89 82.93 40.92 22.19-999.99-999.99-999.99 1 0 16.60-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 207 83.93 42.70 20.88 84.75 42.33 21.30 83.71 43.26 18.52 84.44 42.37 18.08 83.93 43.82 19.93 85.25 44.61 19.99 2 0 20.01-999 ?-999 ?-999 ? MG MG B 701 mGLN^B 208 82.70 43.78 17.83 82.16 44.47 18.32 83.57 43.71 15.54 84.00 44.87 15.52 82.43 43.33 16.48 81.11 43.91 15.96 2 0 21.09-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 209 84.04 42.74 14.77 83.54 41.88 14.85 84.81 42.88 12.41 85.44 43.53 11.57 85.19 42.93 13.88 86.25 41.84 14.15 3 0 22.09-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 210 83.78 42.09 12.10 83.29 41.74 12.90 81.96 41.28 10.74 81.52 40.65 11.71 83.39 41.78 10.73 84.33 40.71 10.15 3 0 23.23-999 ?-999 ?-999 ? MG MG B 701 mSER^B 211 81.21 41.59 9.69 81.62 42.27 9.08 79.67 40.80 7.99 80.24 41.52 7.16 79.91 40.98 9.48 78.78 41.79 10.11 2 0 23.94-999 ?-999 ?-999 ? MG MG B 701 mTYR^B 212 78.85 39.81 7.67 78.57 39.25 8.44 76.95 39.15 6.33 76.55 38.30 7.13 78.42 39.57 6.31 79.26 38.47 5.65 3 0 25.78-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 213 76.16 39.76 5.45 76.61 40.50 4.95 74.61 38.87 3.83 74.96 39.58 2.89 74.76 39.37 5.26 73.81 40.56 5.51 2 0 27.56-999 ?-999 ?-999 ? MG MG B 701 mSER^B 214 74.13 37.64 3.68 73.81 37.21 4.53 73.04 37.65 1.48 72.08 38.24 1.97 74.08 36.99 2.37 73.80 35.49 2.50 2 0 29.03-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 215 73.25 37.58 0.17 74.15 37.21 -0.08 71.33 36.80 -1.10 70.11 36.91 -1.03 72.24 37.99 -0.81 72.88 38.50 -2.13 2 0 32.51-999 ?-999 ?-999 ? MG MG A 701 mALA^B 216 71.94 35.66 -1.40 72.94 35.73 -1.43 70.91 33.64 -0.39 71.52 33.88 0.66 71.21 34.43 -1.67 71.99 33.57 -2.63 2 0 30.23-999 ?-999 ?-999 ? MG MG A 701 mALA^B 217 69.98 32.69 -0.51 69.51 32.70 -1.40 70.88 30.88 0.88 71.73 30.60 0.01 69.66 31.74 0.53 68.49 30.85 0.09 2 0 26.45-999 ?-999 ?-999 ? MG MG A 701 mMETB 218 70.95 30.44 2.13 70.20 30.76 2.72 72.02 28.24 1.89 71.04 27.89 1.22 72.03 29.58 2.61 71.95 29.39 4.14 2 0 24.82-999 ?-999 ?-999 ? MG MG A 701 mPHE^B 219 73.12 27.50 1.99 73.94 27.99 2.27 72.20 25.40 2.73 72.40 25.57 3.94 73.09 26.09 1.69 74.49 25.47 1.69 3 0 24.14-999 ?-999 ?-999 ? MG MG A 701 mARG^B 220 71.22 24.65 2.25 71.13 24.71 1.25 70.20 22.45 2.45 69.93 22.34 1.25 70.35 23.83 3.08 68.97 24.47 3.24 2 0 20.66-999 ?-999 ?-999 ? MG MG A 701 mALA^B 221 70.40 21.41 3.26 70.90 21.65 4.10 69.32 19.48 4.22 69.99 19.34 5.24 69.95 20.05 2.95 71.09 19.17 2.47 2 0 19.21-999 ?-999 ?-999 ? MG MG A 701 mASP^B 222 68.03 19.16 4.14 67.63 19.29 3.24 67.33 17.15 5.40 66.30 16.46 5.42 67.27 18.68 5.30 65.82 19.18 5.25 2 0 15.56-999 ?-999 ?-999 ? MG MG A 701 mASN^B 223 68.56 16.64 5.46 69.27 17.34 5.39 70.25 15.07 6.24 70.92 16.07 6.50 68.85 15.22 5.61 68.73 14.48 4.26 2 0 15.72-999 ?-999 ?-999 ? MG MG A 701 mALA^B 224 70.69 13.84 6.44 70.10 13.13 6.06 73.22 13.82 6.37 74.30 13.57 6.88 71.93 13.58 7.17 71.92 12.16 7.76 2 0 16.70-999 ?-999 ?-999 ? MG MG A 701 mTHR^B 225 73.11 14.33 5.14 72.17 14.45 4.83 74.85 16.03 4.76 75.93 16.44 4.32 74.30 14.67 4.35 74.05 14.65 2.82 2 0 20.30-999 ?-999 ?-999 ? MG MG A 701 mALA^B 226 74.08 16.74 5.59 73.22 16.30 5.85 74.17 18.28 7.53 73.36 17.56 8.13 74.48 18.06 6.05 73.85 19.15 5.20 2 0 19.56-999 ?-999 ?-999 ? MG MG A 701 mHIS^B 227 74.84 19.27 8.11 75.53 19.69 7.52 74.80 21.22 9.54 75.34 21.83 8.61 74.61 19.71 9.48 75.59 19.05 10.44 3 0 18.10-999 ?-999 ?-999 ? MG MG A 701 mILE^B 228 74.35 21.82 10.63 73.86 21.22 11.26 75.20 23.41 12.25 74.77 22.78 13.22 74.57 23.24 10.87 73.28 24.07 10.70 3 0 18.71-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 229 76.24 24.24 12.31 76.42 24.74 11.46 78.48 24.78 13.21 78.72 25.75 12.50 77.04 24.39 13.52-999.99-999.99-999.99 1 0 15.11-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 230 79.42 24.03 13.77 79.05 23.29 14.33 81.47 23.05 12.94 81.18 21.91 13.33 80.86 24.27 13.59 81.50 24.53 14.96 3 0 13.63-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 231 82.34 23.28 11.95 82.43 24.25 11.71 84.49 22.71 10.96 84.64 23.72 10.27 83.10 22.22 11.30 82.39 21.76 10.02 2 0 15.77-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 232 85.51 22.00 11.43 85.25 21.25 12.04 87.50 21.10 10.35 87.29 19.94 10.75 86.89 22.31 11.06 87.73 22.84 12.27 2 0 16.16-999 ?-999 ?-999 ? MG MG B 701 mGLN^B 233 88.23 21.37 9.27 88.48 22.33 9.17 89.98 20.61 7.74 90.39 21.78 7.62 88.60 20.33 8.31 87.54 20.30 7.20 2 0 19.54-999 ?-999 ?-999 ? MG MG B 701 mCYH^B 234 90.71 19.54 7.41 90.31 18.68 7.71 91.76 19.12 5.26 91.36 17.98 5.07 91.96 19.65 6.67 93.08 18.88 7.38 2 0 22.19-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 235 92.05 19.96 4.27 92.44 20.83 4.58 92.84 18.67 2.26 92.66 18.17 1.14 91.80 19.62 2.86 91.72 20.91 2.02 2 0 25.65-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 236 93.93 18.42 3.00 93.90 18.81 3.92 95.36 16.38 3.29 95.08 16.32 4.49 95.05 17.63 2.47 96.35 18.47 2.38 2 0 27.60-999 ?-999 ?-999 ? MG MG B 701 mALA^B 237 95.96 15.39 2.63 96.10 15.59 1.66 97.69 14.28 4.02 98.60 13.48 3.83 96.36 14.15 3.26 96.45 13.02 2.22 2 0 28.59-999 ?-999 ?-999 ? MG MG B 701 mTHR^B 238 97.80 15.30 4.87 97.03 15.94 4.89 98.63 15.65 7.17 97.82 16.53 7.50 99.00 15.43 5.71 100.07 16.46 5.16 2 0 27.44-999 ?-999 ?-999 ? MG MG B 701 mALA^B 239 99.17 14.79 8.03 99.78 14.12 7.59 99.66 15.95 10.14 100.63 16.46 9.59 98.91 14.81 9.46 99.31 13.48 10.08 2 0 24.87-999 ?-999 ?-999 ? MG MG B 701 mGLY^B 240 99.19 16.34 11.32 98.29 15.98 11.54 99.71 18.69 11.99 100.39 19.53 12.59 99.96 17.22 12.19-999.99-999.99-999.99 1 0 22.80-999 ?-999 ?-999 ? MG MG B 701 mILE^B 241 98.73 19.02 11.15 98.31 18.24 10.68 97.22 20.71 11.94 96.16 20.06 11.94 98.32 20.40 10.94 97.83 20.63 9.48 3 0 21.68-999 ?-999 ?-999 ? MG MG B 701 mSER^B 242 97.47 21.69 12.81 98.38 22.09 12.73 95.30 22.71 13.05 95.47 23.44 12.07 96.47 22.11 13.79 97.04 23.15 14.77 2 0 18.06-999 ?-999 ?-999 ? MG MG B 701 mLEU^B 243 94.10 22.39 13.51 94.10 21.69 14.22 92.38 23.98 14.07 93.13 24.33 14.99 92.90 23.03 12.99 91.87 21.98 12.57 3 0 16.39-999 ?-999 ?-999 ? MG MG B 701 mILE^B 244 91.13 24.41 13.95 90.63 24.01 13.19 89.98 24.72 16.16 89.18 23.79 16.06 90.57 25.40 14.90 89.54 26.33 14.19 3 0 13.45-999 ?-999 ?-999 ? MG MG B 701 mSER^B 245 90.41 25.17 17.34 91.08 25.91 17.26 88.56 25.22 18.96 88.28 26.36 18.60 89.92 24.64 18.63 90.89 25.00 19.74 2 0 9.93-999 ?-999 ?-999 ? MG MG B 701 mILE^B 246 87.72 24.45 19.66 88.09 23.55 19.87 86.19 24.82 21.58 86.47 23.79 22.19 86.38 24.92 20.06 85.23 24.19 19.27 3 0 7.04-999 ?-999 ?-999 ? MG MG B 701 mASP^B 247 85.73 25.93 22.16 85.61 26.69 21.52 83.93 25.73 23.83 83.58 24.96 24.71 85.43 26.05 23.58 85.79 27.48 24.04 2 0 -3.55-999 ?-999 ?-999 ? MG MG B 701s mLEU^B 248 83.06 26.30 23.01 83.46 26.70 22.18 80.81 26.61 22.10 81.21 27.40 21.24 81.64 26.34 23.34 81.38 27.42 24.40 3 0 4.52-999 ?-999 ?-999 ? MG MG B 701 mILE^B 249 79.66 25.95 22.03 79.52 25.29 22.77 77.31 26.30 21.59 77.00 25.59 22.56 78.70 26.19 20.97 78.76 25.09 19.85 3 0 8.12-999 ?-999 ?-999 ? MG MG B 701 mGLU^B 250 76.50 27.21 21.05 76.94 27.73 20.32 74.18 27.42 20.28 74.52 27.97 19.21 75.11 27.43 21.48 74.95 28.79 22.16 2 0 10.84-999 ?-999 ?-999 ? MG MG B 701 mPHE^B 251 73.00 26.83 20.47 72.93 26.37 21.35 70.67 27.43 20.17 70.28 26.97 21.25 71.91 26.84 19.49 71.58 25.42 19.04 3 0 14.46-999 ?-999 ?-999 ? MG MG B 701 mLYS^B 252 70.06 28.45 19.57 70.54 28.77 18.75 67.87 29.29 18.89 68.26 29.90 17.90 68.81 29.05 20.07 69.06 30.39 20.79 2 0 16.99-999 ?-999 ?-999 ? MG MG A 701 mALA^B 253 66.62 28.83 19.02 66.43 28.37 19.89 64.20 28.97 18.45 63.94 28.63 19.62 65.64 29.00 17.95 65.83 27.94 16.87 2 0 15.34-999 ?-999 ?-999 ? MG MG A 701 mLYS^B 254 63.28 29.33 17.57 63.64 29.72 16.72 61.40 27.88 17.17 61.88 27.53 16.10 61.85 29.17 17.83 61.07 30.36 17.28 2 0 14.44-999 ?-999 ?-999 ? MG MG A 701 mVAL^B 255 60.49 27.16 17.82 60.19 27.57 18.69 58.45 25.86 17.23 57.79 26.48 18.07 59.99 25.89 17.29 60.53 24.66 18.11 3 0 11.01-999 ?-999 ?-999 ? MG MG A 701 mSER^B 256 57.90 25.16 16.23 58.55 24.91 15.51 56.36 23.41 16.83 56.64 22.40 16.17 56.48 24.80 16.22 55.91 24.77 14.79 2 0 10.52-999 ?-999 ?-999 ? MG MG A 701 mALA^B 257 55.96 23.37 18.10 55.75 24.26 18.49 54.65 22.11 19.79 54.66 21.40 20.80 55.85 22.12 18.84 57.13 21.83 19.59 2 0 8.09-999 ?-999 ?-999 ? MG MG A 701 mTHR^B 258 53.63 22.90 19.48 53.75 23.45 18.65 51.50 21.77 19.98 50.78 21.79 18.98 52.42 22.94 20.32 51.69 24.30 20.22 2 0 10.90-999 ?-999 ?-999 ? MG MG A 701 mARG^B 259 51.53 20.75 20.83 52.14 20.89 21.62 49.74 19.33 21.73 49.80 19.98 22.77 50.76 19.53 20.62 51.68 18.32 20.51 2 0 10.18-999 ?-999 ?-999 ? MG MG A 701 mALA^B 260 48.81 18.40 21.51 48.89 17.94 20.63 48.33 17.44 23.73 49.18 16.56 23.62 47.75 18.11 22.48 46.68 17.24 21.84 2 0 12.90-999 ?-999 ?-999 ? MG MG A 701 mLYS^B 261 47.85 17.88 24.90 47.19 18.61 24.81 47.38 16.17 26.66 46.17 16.18 26.42 48.28 17.31 26.18 48.38 18.39 27.25 2 0 13.95-999 ?-999 ?-999 ? MG MG A 701 mVAL^B 262 48.00 15.21 27.36 48.93 15.47 27.60 46.83 13.13 26.55 47.35 12.05 26.23 47.40 13.91 27.74 46.42 14.03 28.94 3 0 15.42-999 ?-999 ?-999 ? MG MG A 701 mPRO^C 19 51.83 33.85 46.93 52.28 34.55 47.50 52.19 31.98 45.33 53.20 32.48 44.84 51.18 32.84 46.10 50.33 33.67 45.14 3 0 34.14-999 ?-999 ?-999 ? MG MG A 701 mLEU^C 20 51.90 30.68 45.25 51.03 30.43 45.67 52.61 29.82 43.08 51.48 29.96 42.58 52.77 29.73 44.59 52.45 28.32 45.10 3 0 30.65-999 ?-999 ?-999 ? MG MG C 701 mALA^C 21 53.72 29.76 42.35 54.55 29.65 42.90 52.83 28.77 40.24 52.76 27.64 40.72 53.72 29.83 40.88 55.14 29.74 40.34 2 0 27.70-999 ?-999 ?-999 ? MG MG A 701 mTHR^C 22 52.16 29.16 39.16 52.34 30.10 38.89 51.63 28.19 36.97 52.53 28.90 36.52 51.23 28.28 38.44 49.77 28.80 38.54 2 0 25.58-999 ?-999 ?-999 ? MG MG A 701 mGLU^C 23 50.96 27.30 36.23 50.30 26.77 36.76 50.78 28.37 33.99 51.31 28.60 32.90 51.17 27.13 34.80 50.41 25.90 34.30 2 0 22.18-999 ?-999 ?-999 ? MG MG A 701 mTHR^C 24 49.85 29.17 34.52 49.52 28.87 35.42 49.81 31.69 34.49 49.90 32.72 33.83 49.36 30.38 33.84 47.82 30.40 33.69 2 0 24.18-999 ?-999 ?-999 ? MG MG A 701 mTHR^C 25 50.09 31.65 35.80 50.03 30.73 36.20 51.74 32.66 37.39 51.92 31.60 38.00 50.46 32.85 36.55 49.25 33.37 37.41 2 0 27.16-999 ?-999 ?-999 ? MG MG A 701 mPRO^C 26 52.63 33.68 37.40 52.39 34.46 36.83 53.63 33.59 39.72 52.53 33.91 40.19 53.86 33.60 38.21 54.63 34.87 37.80 3 0 27.90-999 ?-999 ?-999 ? MG MG A 701 mGLY^C 27 54.66 33.20 40.47 55.47 32.97 39.93 55.93 32.66 42.50 56.96 32.74 41.83 54.61 33.13 41.93-999.99-999.99-999.99 1 0 30.25-999 ?-999 ?-999 ? MG MG A 701 mLEU^C 28 55.92 32.18 43.74 55.02 32.19 44.18 57.51 30.25 43.94 56.69 29.51 43.39 57.15 31.68 44.36 57.15 31.84 45.89 3 0 29.92-999 ?-999 ?-999 ? MG MG C 701 mMETC 29 58.77 29.90 44.19 59.29 30.62 44.65 59.26 27.67 45.05 59.65 28.05 46.16 59.34 28.61 43.84 60.80 28.81 43.42 2 0 26.15-999 ?-999 ?-999 ? MG MG C 701 mSER^C 30 58.74 26.46 44.82 58.46 26.32 43.87 59.93 24.76 46.21 60.87 24.82 45.42 58.60 25.44 45.87 57.56 24.38 45.45 2 0 24.04-999 ?-999 ?-999 ? MG MG C 701 mPRO^C 31 60.03 24.12 47.40 59.22 24.20 47.98 61.63 22.27 46.79 62.81 22.06 46.54 61.24 23.37 47.79 60.85 22.76 49.15 3 0 21.44-999 ?-999 ?-999 ? MG MG C 701 mSER^C 32 60.63 21.60 46.23 59.72 21.88 46.55 61.46 21.08 43.92 62.27 20.40 43.29 60.83 20.55 45.23 59.50 19.85 44.94 2 0 18.70-999 ?-999 ?-999 ? MG MG C 701 mGLU^C 33 61.06 22.29 43.53 60.35 22.69 44.11 63.04 23.45 42.63 63.90 23.43 41.75 61.62 22.94 42.35 60.69 24.07 41.87 2 0 19.99-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 34 63.28 23.90 43.87 62.48 23.88 44.47 65.61 23.22 44.26 66.73 23.38 43.77 64.60 24.37 44.28 64.56 25.02 45.67 2 0 20.25-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 35 65.19 22.07 44.78 64.26 22.11 45.16 66.36 20.39 43.38 67.53 20.12 43.10 66.01 20.86 44.79 65.31 19.75 45.58 3 0 16.61-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 36 65.35 20.29 42.51 64.46 20.46 42.92 66.60 20.81 40.42 67.45 20.31 39.70 65.53 19.96 41.08 64.22 20.20 40.31 2 0 15.64-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 37 66.53 22.11 40.67 65.79 22.38 41.29 68.86 22.91 40.65 69.85 23.12 39.95 67.45 23.06 40.08 66.90 24.48 40.25 3 0 18.12-999 ?-999 ?-999 ? MG MG C 701 mSER^C 38 68.95 22.50 41.92 68.06 22.34 42.37 71.06 21.17 42.01 72.28 21.12 42.17 70.24 22.32 42.60 70.04 22.12 44.11 2 0 16.98-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 39 70.39 20.24 41.34 69.41 20.42 41.25 71.10 19.08 39.24 71.39 18.07 38.62 71.06 19.08 40.78 70.46 17.76 41.33 2 0 13.71-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 40 70.82 20.25 38.66 70.57 20.97 39.30 72.32 20.34 36.67 73.23 21.01 37.17 70.88 20.44 37.21 70.23 21.77 36.81 3 0 15.68-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 41 72.50 19.49 35.67 71.66 19.02 35.40 74.25 20.51 34.26 73.50 21.08 33.47 73.79 19.26 35.01 73.69 18.08 34.03 2 0 14.51-999 ?-999 ?-999 ? MG MG B 701 mTHR^C 42 75.49 20.94 34.50 75.98 20.42 35.19 76.09 21.81 32.28 76.53 20.74 31.86 76.03 22.10 33.79 77.43 22.48 34.32 2 0 11.20-999 ?-999 ?-999 ? MG MG B 701 mSER^C 43 75.59 22.75 31.48 75.06 23.46 31.95 76.81 23.84 29.71 78.00 23.58 29.54 75.81 22.73 30.03 74.49 22.88 29.26 2 0 9.35-999 ?-999 ?-999 ? MG MG B 701 mILE^C 44 76.35 25.09 29.70 75.36 25.16 29.82 77.62 26.80 30.88 76.76 27.23 31.65 77.25 26.22 29.51 76.65 27.28 28.53 3 0 7.63-999 ?-999 ?-999 ? MG MG B 701 mALA^C 45 78.91 26.77 31.19 79.51 26.47 30.45 79.61 28.67 32.67 79.89 29.37 31.68 79.39 27.16 32.52 80.67 26.40 32.85 2 0 7.83-999 ?-999 ?-999 ? MG MG B 701 mTHR^C 46 79.48 29.16 33.90 79.08 28.51 34.55 80.89 30.52 35.41 82.02 30.97 35.26 79.88 30.53 34.25 78.67 31.45 34.55 2 0 10.27-999 ?-999 ?-999 ? MG MG B 701 mSER^C 47 80.49 30.00 36.57 79.54 29.67 36.58 81.27 28.68 38.56 82.12 28.39 39.42 81.41 29.94 37.71 81.27 31.20 38.57 2 0 12.33-999 ?-999 ?-999 ? MG MG B 701 mASP^C 48 80.20 27.93 38.33 79.60 28.28 37.60 79.85 25.54 38.08 79.39 25.71 36.95 79.94 26.70 39.06 78.64 26.82 39.86 2 0 13.13-999 ?-999 ?-999 ? MG MG B 701 mPHE^C 49 80.33 24.37 38.49 80.83 24.39 39.35 79.39 22.12 38.54 79.76 21.90 39.69 80.11 23.17 37.70 81.41 22.58 37.15 3 0 11.84-999 ?-999 ?-999 ? MG MG B 701 mTYR^C 50 78.38 21.49 37.95 78.15 21.84 37.04 77.40 19.26 37.58 77.00 19.52 36.45 77.68 20.38 38.58 76.36 20.86 39.20 3 0 14.29-999 ?-999 ?-999 ? MG MG B 701 mALA^C 51 77.61 18.01 38.01 78.07 17.97 38.90 76.89 15.68 38.21 77.53 15.54 39.24 77.20 16.83 37.25 78.28 16.41 36.25 2 0 13.65-999 ?-999 ?-999 ? MG MG C 701 mSER^C 52 75.88 14.88 37.87 75.39 15.16 37.04 74.94 12.63 37.78 74.36 12.93 36.74 75.56 13.70 38.66 74.62 14.06 39.81 2 0 9.86-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 53 75.10 11.38 38.19 75.71 11.27 38.98 73.95 9.25 38.54 74.66 8.93 39.49 74.43 10.28 37.52 75.32 9.65 36.43 3 0 7.17-999 ?-999 ?-999 ? MG MG C 701 mASP^C 54 72.72 8.77 38.36 72.31 9.03 37.48 71.87 6.47 38.88 71.13 5.72 39.50 72.03 7.93 39.34 70.64 8.54 39.67 2 0 -3.53-999 ?-999 ?-999 ? MG MG C 701s mPHE^C 55 72.53 6.10 37.79 72.95 6.87 37.31 71.30 3.97 37.17 71.14 2.84 37.61 72.63 4.70 37.36 73.59 3.92 38.29 3 0 4.57-999 ?-999 ?-999 ? MG MG C 701 mMETC 56 70.37 4.62 36.47 70.64 5.54 36.20 68.96 3.56 34.70 68.06 2.80 34.36 69.07 4.01 36.15 67.91 4.96 36.53 2 0 6.03-999 ?-999 ?-999 ? MG MG C 701 mMETC 57 69.88 4.03 33.84 70.59 4.59 34.27 70.29 2.32 32.08 71.15 1.75 32.78 69.82 3.74 32.40 70.66 4.74 31.58 2 0 9.47-999 ?-999 ?-999 ? MG MG C 701 mHIS^C 58 69.71 1.75 31.03 68.90 2.25 30.71 71.66 0.75 30.06 72.01 1.77 29.44 70.18 0.52 30.39 69.34 0.30 29.13 3 0 12.29-999 ?-999 ?-999 ? MG MG C 701 mSER^C 59 72.55 -0.14 30.50 72.15 -0.99 30.86 74.79 -0.49 29.32 76.00 -0.26 29.23 73.99 0.16 30.45 74.67 -0.03 31.81 2 0 12.67-999 ?-999 ?-999 ? MG MG C 701 mILE^C 60 74.13 -1.27 28.47 73.18 -1.45 28.72 75.19 -0.68 26.33 74.34 0.08 25.85 74.78 -1.81 27.26 73.87 -2.76 26.46 3 0 16.48-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 61 76.50 -0.55 26.10 77.07 -1.21 26.59 76.91 1.89 25.70 76.95 2.84 24.92 77.03 0.47 25.19-999.99-999.99-999.99 1 0 18.14-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 62 76.76 2.04 27.02 76.77 1.17 27.53 77.95 3.84 28.17 78.45 3.34 29.18 76.60 3.35 27.65 75.59 3.29 28.81 3 0 15.14-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 63 78.53 4.82 27.48 77.96 5.22 26.76 79.98 6.58 28.47 81.07 6.99 28.90 79.89 5.24 27.78 80.76 5.26 26.52 2 0 16.37-999 ?-999 ?-999 ? MG MG C 701 mSER^C 64 78.84 7.27 28.59 78.07 6.86 28.10 77.32 8.89 29.66 76.41 8.41 29.00 78.75 8.50 29.37 79.46 9.66 28.66 2 0 14.75-999 ?-999 ?-999 ? MG MG C 701 mALA^C 65 77.13 9.77 30.65 77.98 10.01 31.13 76.06 11.59 31.85 76.90 11.59 32.74 75.83 10.34 31.00 74.99 9.32 31.80 2 0 12.62-999 ?-999 ?-999 ? MG MG C 701 mASN^C 66 75.32 12.65 31.56 74.70 12.50 30.79 76.86 14.40 32.55 77.22 14.75 33.68 75.41 13.92 32.31 74.64 13.82 33.63 2 0 13.33-999 ?-999 ?-999 ? MG MG C 701 mASN^C 67 77.66 14.40 31.48 77.19 14.09 30.66 80.10 13.79 32.01 81.31 13.97 31.84 79.08 14.83 31.50 79.29 16.16 32.26 2 0 12.36-999 ?-999 ?-999 ? MG MG B 701 mILE^C 68 79.59 12.72 32.62 78.60 12.64 32.53 80.74 10.56 32.45 79.84 9.99 31.84 80.42 11.74 33.35 79.71 11.27 34.65 3 0 13.95-999 ?-999 ?-999 ? MG MG C 701 mSER^C 69 82.03 10.21 32.39 82.64 10.82 32.90 82.12 7.77 32.37 82.25 7.70 33.58 82.51 9.04 31.64 84.04 9.08 31.50 2 0 15.55-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 70 81.65 6.77 31.63 81.58 6.97 30.65 82.01 4.40 31.48 81.58 3.92 30.44 81.26 5.49 32.22 79.74 5.29 32.16 3 0 13.80-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 71 83.16 4.04 32.03 83.26 4.29 32.99 84.34 1.92 31.72 84.66 1.66 32.88 84.17 3.34 31.26 85.50 4.10 31.34 3 0 16.76-999 ?-999 ?-999 ? MG MG C 701 mSER^C 72 84.09 1.00 30.79 83.74 1.37 29.93 85.58 -0.86 30.29 85.83 -0.46 29.15 84.31 -0.43 31.00 83.11 -1.22 30.47 2 0 17.87-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 73 86.40 -1.65 30.98 86.14 -1.76 31.94 87.65 -3.77 30.78 87.05 -4.18 31.79 87.57 -2.29 30.38 88.91 -1.57 30.75 2 0 21.32-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 74 88.36 -4.56 29.98 88.69 -4.10 29.15 87.40 -6.86 30.32 87.39 -7.87 31.00 88.63 -5.96 30.28-999.99-999.99-999.99 1 0 23.72-999 ?-999 ?-999 ? MG MG C 701 mASN^C 75 86.37 -6.48 29.56 86.56 -5.67 29.00 84.46 -7.36 30.92 83.90 -8.41 31.23 85.09 -7.19 29.53 85.23 -8.55 28.82 2 0 22.33-999 ?-999 ?-999 ? MG MG C 701 mILE^C 76 84.58 -6.31 31.74 85.13 -5.56 31.37 82.46 -6.55 32.89 81.83 -6.12 31.91 83.95 -6.26 33.06 84.17 -4.89 33.74 3 0 19.31-999 ?-999 ?-999 ? MG MG C 701 mSER^C 77 81.89 -7.26 33.85 82.48 -7.48 34.63 79.60 -6.71 34.49 79.48 -6.76 35.71 80.51 -7.68 33.74 80.36 -9.12 34.24 2 0 17.90-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 78 78.96 -5.81 33.75 79.22 -5.78 32.79 76.67 -5.75 34.47 76.12 -6.20 33.46 77.95 -4.95 34.36 77.75 -3.66 33.55 3 0 14.35-999 ?-999 ?-999 ? MG MG C 701 mGLN^C 79 76.22 -5.97 35.70 76.79 -5.56 36.42 73.75 -5.89 35.69 73.86 -4.70 35.38 75.00 -6.73 35.97 74.99 -7.22 37.42 2 0 13.92-999 ?-999 ?-999 ? MG MG C 701 mASN^C 80 72.58 -6.51 35.79 72.64 -7.49 36.00 71.14 -4.67 36.61 71.42 -4.85 37.80 71.32 -5.79 35.61 70.14 -6.74 35.72 2 0 12.71-999 ?-999 ?-999 ? MG MG C 701 mILE^C 81 70.67 -3.53 36.12 70.62 -3.51 35.12 69.15 -2.84 37.91 68.23 -3.56 37.52 70.27 -2.41 36.97 69.83 -1.17 36.12 3 0 9.14-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 82 69.26 -2.42 39.16 70.11 -1.93 39.35 68.03 -1.38 40.96 68.76 -0.40 40.78 68.24 -2.65 40.14 68.64 -3.83 41.04 3 0 8.70-999 ?-999 ?-999 ? MG MG C 701 mSER^C 83 67.03 -1.38 41.83 66.36 -2.11 41.68 66.74 -1.14 44.22 66.15 -2.22 44.24 66.94 -0.40 42.90 65.79 0.58 42.66 2 0 7.28-999 ?-999 ?-999 ? MG MG C 701 mGLU^C 84 67.25 -0.58 45.31 67.86 0.20 45.15 66.71 -0.05 47.69 67.53 0.85 47.88 66.93 -1.12 46.64 67.93 -2.19 47.10 2 0 9.25-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 85 65.57 -0.14 48.37 65.03 -0.95 48.17 65.17 2.23 48.66 64.54 2.41 47.62 65.17 0.88 49.34-999.99-999.99-999.99 1 0 10.76-999 ?-999 ?-999 ? MG MG C 701 mASN^C 86 65.91 3.17 49.24 66.40 2.87 50.05 67.05 4.69 47.63 67.21 5.78 47.06 65.98 4.53 48.70 66.20 5.52 49.83 2 0 8.81-999 ?-999 ?-999 ? MG MG C 701 mHIS^C 87 67.77 3.61 47.35 67.53 2.80 47.89 68.24 3.32 44.96 68.10 2.17 44.56 68.82 3.61 46.34 69.94 2.64 46.74 3 0 5.56-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 88 67.88 4.39 44.26 68.12 5.26 44.71 68.24 4.19 41.88 69.04 5.10 41.70 67.20 4.32 42.97 66.38 5.60 42.76 3 0 -4.33-999 ?-999 ?-999 ? MG MG C 701s mGLY^C 89 68.23 3.08 41.15 67.51 2.43 41.40 70.53 2.46 40.64 71.27 3.29 41.12 69.18 2.85 40.07-999.99-999.99-999.99 1 0 -3.59-999 ?-999 ?-999 ? MG MG C 701s mVAL^C 90 70.84 1.17 40.60 70.14 0.60 40.16 72.76 -0.21 40.10 72.11 -1.08 39.52 72.09 0.66 41.15 71.84 -0.19 42.43 3 0 4.85-999 ?-999 ?-999 ? MG MG C 701 mGLN^C 91 74.04 0.04 39.85 74.42 0.81 40.36 75.76 -1.71 39.67 76.80 -1.28 40.19 74.83 -0.76 38.91 75.64 0.15 37.97 2 0 7.66-999 ?-999 ?-999 ? MG MG C 701 mPRO^C 92 75.38 -3.01 39.77 74.46 -3.21 39.43 77.30 -4.44 39.29 77.01 -4.42 38.08 76.26 -4.02 40.33 75.32 -5.19 40.65 3 0 10.78-999 ?-999 ?-999 ? MG MG C 701 mILE^C 93 78.48 -4.81 39.77 78.51 -4.92 40.76 80.33 -6.35 39.28 80.55 -6.61 40.46 79.63 -5.04 38.89 80.61 -3.81 38.92 3 0 13.71-999 ?-999 ?-999 ? MG MG C 701 mVAL^C 94 80.64 -7.18 38.28 80.42 -6.82 37.37 82.49 -8.68 37.63 82.53 -8.23 36.48 81.25 -8.49 38.51 80.19 -9.64 38.35 3 0 17.43-999 ?-999 ?-999 ? MG MG C 701 mSER^C 95 83.51 -9.32 38.19 83.34 -9.61 39.14 84.60 -10.51 36.30 83.61 -11.23 36.18 84.76 -9.57 37.50 85.79 -10.17 38.47 2 0 20.64-999 ?-999 ?-999 ? MG MG C 701 mSER^C 96 85.58 -10.48 35.40 86.30 -9.81 35.61 86.86 -12.23 34.29 87.55 -12.31 35.32 85.62 -11.35 34.24 85.63 -10.51 32.97 2 0 23.32-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 97 87.16 -12.88 33.17 86.51 -12.73 32.42 89.57 -12.95 32.60 90.59 -13.55 32.26 88.34 -13.74 33.05 88.08 -14.92 32.09 2 0 27.10-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 98 89.47 -11.63 32.58 88.55 -11.29 32.80 91.03 -10.02 33.52 90.21 -9.37 34.18 90.59 -10.75 32.26 90.22 -9.70 31.17 2 0 26.94-999 ?-999 ?-999 ? MG MG C 701 mALA^C 99 92.32 -10.11 33.84 92.85 -10.70 33.23 92.86 -7.92 34.79 93.06 -7.43 33.67 92.89 -9.43 34.99 94.32 -9.90 35.25 2 0 27.12-999 ?-999 ?-999 ? MG MG C 701 mASN^C 100 92.59 -7.20 35.87 92.44 -7.76 36.68 91.27 -5.12 35.21 91.18 -3.89 35.08 92.52 -5.73 35.87 93.81 -5.09 35.34 2 0 24.75-999 ?-999 ?-999 ? MG MG C 701 mALA^C 101 90.32 -5.96 34.83 90.56 -6.93 34.91 88.44 -4.51 35.36 88.55 -4.74 36.58 89.02 -5.48 34.34 88.07 -6.64 34.11 2 0 22.13-999 ?-999 ?-999 ? MG MG C 701 mSER^C 102 87.84 -3.43 34.88 87.75 -3.40 33.88 86.15 -1.63 35.22 85.90 -1.64 34.01 87.36 -2.38 35.77 88.48 -1.38 36.08 2 0 18.89-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 103 85.41 -0.99 36.12 85.59 -1.26 37.07 84.78 1.32 36.38 85.09 1.38 37.58 84.43 0.00 35.72 83.00 -0.42 36.07 3 0 15.48-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 104 84.72 2.39 35.60 84.41 2.20 34.67 84.00 4.71 35.76 83.62 4.86 34.60 85.10 3.71 36.08 86.44 4.14 35.44 3 0 15.09-999 ?-999 ?-999 ? MG MG C 701 mALA^C 105 83.49 5.38 36.79 83.75 5.03 37.69 83.37 7.78 37.01 83.64 7.99 38.20 82.61 6.53 36.60 81.29 6.37 37.40 2 0 12.55-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 106 83.77 8.59 36.04 83.43 8.36 35.12 84.68 10.81 35.30 83.98 10.77 34.28 84.64 9.71 36.33-999.99-999.99-999.99 1 0 15.10-999 ?-999 ?-999 ? MG MG C 701 mMETC 107 85.51 11.82 35.60 85.95 11.70 36.50 87.26 13.23 34.59 88.07 12.70 35.38 85.75 12.97 34.72 85.01 14.22 35.23 2 0 14.51-999 ?-999 ?-999 ? MG MG B 701 mLEU^C 108 87.64 14.03 33.59 86.89 14.33 33.01 89.51 15.40 34.45 88.75 16.27 34.89 89.04 14.42 33.38 89.23 15.05 31.99 3 0 13.37-999 ?-999 ?-999 ? MG MG B 701 mMETC 109 90.78 15.29 34.84 91.29 14.58 34.37 91.70 17.57 35.37 91.68 18.53 36.16 91.36 16.17 35.88 92.57 15.49 36.53 2 0 14.54-999 ?-999 ?-999 ? MG MG B 701 mALA^C 110 92.00 17.69 34.07 91.90 16.83 33.56 91.44 20.11 33.71 91.84 21.26 33.83 92.42 18.96 33.47 92.66 18.79 31.97 2 0 12.16-999 ?-999 ?-999 ? MG MG B 701 mILE^C 111 90.15 19.77 33.79 89.98 18.78 33.71 88.84 21.08 35.44 88.06 21.98 35.76 89.10 20.76 33.97 87.79 20.33 33.25 3 0 9.66-999 ?-999 ?-999 ? MG MG B 701 mPHE^C 112 89.48 20.33 36.34 90.04 19.61 35.94 90.74 20.82 38.37 91.29 19.96 39.06 89.35 20.57 37.78 88.65 19.40 38.48 3 0 12.91-999 ?-999 ?-999 ? MG MG B 701 mPRO^C 113 91.32 22.01 38.10 90.83 22.62 37.49 92.41 22.50 40.23 91.26 22.65 40.68 92.61 22.30 38.72 93.04 23.59 38.02 3 0 14.82-999 ?-999 ?-999 ? MG MG B 701 mLYS^C 114 93.49 22.50 41.00 94.35 22.44 40.48 92.51 23.70 43.01 91.80 23.52 44.01 93.41 22.58 42.47 94.80 22.61 43.12 2 0 18.33-999 ?-999 ?-999 ? MG MG B 701 mGLU^C 115 92.53 24.84 42.34 93.12 24.85 41.54 90.20 25.80 42.56 89.40 26.57 43.09 91.72 25.99 42.78 92.22 27.29 42.12 2 0 17.68-999 ?-999 ?-999 ? MG MG B 701 mSER^C 116 89.82 24.76 41.81 90.57 24.25 41.41 87.76 23.79 42.85 86.53 23.78 42.99 88.40 24.42 41.61 88.24 23.48 40.42 2 0 15.42-999 ?-999 ?-999 ? MG MG B 701 mGLU^C 117 88.61 23.25 43.74 89.57 23.34 43.47 87.04 21.60 44.71 86.01 21.60 45.40 88.17 22.59 44.98 87.75 23.60 46.04 2 0 18.78-999 ?-999 ?-999 ? MG MG B 701 mLEU^C 118 87.24 20.77 43.69 88.11 20.93 43.22 85.89 18.88 44.49 86.72 18.48 45.32 86.30 19.74 43.30 86.91 18.87 42.19 3 0 17.47-999 ?-999 ?-999 ? MG MG B 701 mGLU^C 119 84.60 18.61 44.56 84.05 19.09 43.87 83.33 16.57 44.79 82.51 16.80 43.91 84.02 17.71 45.54 83.00 18.47 46.38 2 0 18.22-999 ?-999 ?-999 ? MG MG C 701 mVAL^C 120 83.69 15.34 45.13 84.41 15.29 45.83 82.40 13.33 45.61 83.04 12.98 46.60 83.07 14.17 44.52 84.10 13.30 43.74 3 0 15.06-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 121 81.11 13.04 45.43 80.71 13.43 44.60 79.87 10.95 45.69 79.32 11.02 44.60 80.37 12.23 46.38 79.20 13.01 47.00 2 0 12.40-999 ?-999 ?-999 ? MG MG C 701 mVAL^C 122 80.08 9.81 46.35 80.49 9.93 47.25 78.91 7.67 46.79 79.33 7.49 47.94 79.73 8.49 45.79 80.99 7.66 45.40 3 0 10.00-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 123 77.76 7.19 46.35 77.52 7.50 45.43 77.16 4.89 46.57 76.86 4.63 45.39 76.93 6.29 47.13 75.45 6.68 47.02 3 0 8.01-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 124 77.68 4.00 47.41 77.74 4.31 48.36 77.86 1.59 47.95 77.76 1.83 49.16 78.14 2.69 46.95 79.64 2.72 46.60 3 0 9.17-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 125 77.73 0.36 47.43 77.85 0.32 46.44 78.56 -1.82 48.15 78.95 -2.22 47.04 77.43 -0.80 48.26 76.10 -1.45 47.85 2 0 11.02-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 126 79.06 -2.26 49.30 78.71 -1.79 50.11 79.43 -4.64 48.78 78.22 -4.85 48.91 80.04 -3.33 49.33 80.63 -3.53 50.73 2 0 14.62-999 ?-999 ?-999 ? MG MG C 701 mPRO^C 127 80.26 -5.49 48.15 81.21 -5.17 48.05 79.34 -7.71 48.80 79.63 -7.42 49.97 79.79 -6.78 47.65 81.01 -7.36 46.93 3 0 16.08-999 ?-999 ?-999 ? MG MG C 701 mSER^C 128 78.66 -8.81 48.47 78.51 -8.92 47.49 79.30 -10.64 50.08 79.10 -11.29 51.12 78.19 -9.74 49.49 77.03 -10.58 48.95 2 0 18.44-999 ?-999 ?-999 ? MG MG C 701 mALA^C 129 80.45 -10.67 49.41 80.40 -10.22 48.51 82.85 -10.43 49.53 82.96 -10.01 48.37 81.66 -11.30 49.92 81.84 -12.72 49.34 2 0 21.39-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 130 83.72 -10.15 50.50 83.42 -10.39 51.42 85.95 -10.55 49.56 85.80 -11.76 49.76 85.00 -9.53 50.19 85.63 -8.88 51.43 3 0 22.07-999 ?-999 ?-999 ? MG MG C 701 mASN^C 131 86.92 -10.06 48.80 86.92 -9.06 48.74 89.17 -10.07 48.00 89.08 -8.87 47.72 87.89 -10.90 48.13 87.34 -11.32 46.76 2 0 24.24-999 ?-999 ?-999 ? MG MG C 701 mPRO^C 132 90.35 -10.67 48.26 90.28 -11.63 48.54 91.86 -9.35 46.72 92.69 -8.47 46.57 91.61 -9.94 48.12 92.68 -11.00 48.46 3 0 26.36-999 ?-999 ?-999 ? MG MG C 701 mALA^C 133 91.11 -9.82 45.72 90.46 -10.53 46.00 90.50 -7.99 44.10 90.71 -7.34 43.07 91.23 -9.33 44.34 90.74 -10.38 43.37 2 0 25.03-999 ?-999 ?-999 ? MG MG C 701 mGLN^C 134 89.66 -7.59 45.06 89.60 -8.21 45.85 89.72 -5.10 45.25 90.33 -5.00 46.32 88.89 -6.35 44.94 87.64 -6.39 45.83 2 0 21.51-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 135 89.72 -4.16 44.30 89.25 -4.44 43.47 89.41 -1.77 43.94 89.05 -1.77 42.76 90.35 -2.85 44.47 91.72 -2.78 43.74 3 0 21.07-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 136 89.01 -0.88 44.84 89.36 -1.05 45.76 88.79 1.54 44.99 89.44 1.56 46.04 88.15 0.24 44.50 86.74 0.06 45.13 2 0 17.97-999 ?-999 ?-999 ? MG MG C 701 mVAL^C 137 88.62 2.62 44.22 88.12 2.43 43.37 88.03 5.00 44.38 87.35 5.02 43.36 89.11 3.94 44.59 90.37 4.37 43.77 3 0 18.24-999 ?-999 ?-999 ? MG MG C 701 mILE^C 138 87.86 5.87 45.38 88.28 5.59 46.24 88.17 8.23 45.27 88.72 8.53 46.33 87.12 7.11 45.21 85.96 7.26 46.24 3 0 16.43-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 139 88.47 8.80 44.11 87.90 8.48 43.35 90.11 9.73 42.56 89.40 9.38 41.61 89.53 9.79 43.96-999.99-999.99-999.99 1 0 19.01-999 ?-999 ?-999 ? MG MG C 701 mSER^C 140 91.39 10.08 42.43 91.82 10.37 43.28 92.67 8.66 40.91 92.97 7.92 41.85 92.08 10.04 41.15 93.17 11.10 41.08 2 0 21.42-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 141 92.82 8.30 39.64 92.62 9.02 38.98 93.73 6.88 37.83 93.27 7.64 36.96 93.26 6.96 39.27 92.14 5.89 39.55 2 0 22.26-999 ?-999 ?-999 ? MG MG C 701 mSER^C 142 94.67 5.97 37.57 95.14 5.60 38.38 93.67 5.05 35.61 92.86 4.40 36.29 94.97 5.55 36.21 95.99 4.40 36.19 2 0 24.13-999 ?-999 ?-999 ? MG MG B 701 mILE^C 143 93.47 5.35 34.34 94.19 5.93 33.94 92.43 3.38 33.23 93.52 2.80 33.24 92.31 4.88 33.58 92.13 5.76 32.31 3 0 22.63-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 144 91.28 2.76 32.94 90.47 3.28 33.19 91.86 0.29 33.08 91.57 0.09 34.26 91.23 1.44 32.32-999.99-999.99-999.99 1 0 22.46-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 145 92.71 -0.46 32.39 92.88 -0.15 31.46 94.53 -1.29 33.86 95.09 -2.16 34.53 93.35 -1.65 32.97 93.78 -2.64 31.88 3 0 24.83-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 146 94.89 0.00 33.88 94.34 0.57 33.28 95.72 0.38 36.18 94.57 0.43 36.63 95.99 0.51 34.70-999.99-999.99-999.99 1 0 26.23-999 ?-999 ?-999 ? MG MG C 701 mILE^C 147 96.79 0.22 36.95 97.66 0.32 36.46 97.84 0.57 39.20 97.99 0.31 40.41 96.69 -0.07 38.38 96.59 -1.61 38.59 3 0 26.29-999 ?-999 ?-999 ? MG MG C 701 mSER^C 148 98.61 1.42 38.54 98.25 1.67 37.64 99.72 3.23 39.89 100.60 3.56 40.69 99.87 1.95 39.08 100.85 2.19 37.94 2 0 29.01-999 ?-999 ?-999 ? MG MG C 701 mASP^C 149 98.64 3.97 39.67 97.98 3.56 39.05 97.03 5.50 40.82 96.06 5.22 40.11 98.45 5.28 40.31 98.82 6.41 39.34 2 0 27.31-999 ?-999 ?-999 ? MG MG C 701 mARG^C 150 96.92 6.01 42.04 97.79 6.13 42.51 95.82 7.20 43.89 96.88 7.18 44.53 95.63 6.36 42.63 94.80 5.10 42.95 2 0 24.50-999 ?-999 ?-999 ? MG MG C 701 mSER^C 151 94.77 7.93 44.25 93.97 7.82 43.66 93.36 9.10 45.85 92.53 9.55 45.05 94.79 8.80 45.40 95.58 10.07 45.06 2 0 24.16-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 152 93.06 8.83 47.12 93.81 8.45 47.65 91.36 8.03 48.70 92.23 7.58 49.44 91.71 9.07 47.66-999.99-999.99-999.99 1 0 21.72-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 153 90.08 7.66 48.78 89.45 8.20 48.23 89.87 5.24 48.82 89.21 5.03 47.80 89.70 6.53 49.62 88.27 6.64 50.13 3 0 20.20-999 ?-999 ?-999 ? MG MG C 701 mILE^C 154 90.79 4.40 49.28 91.24 4.70 50.11 90.46 2.00 49.41 90.50 2.00 50.63 91.08 3.14 48.61 92.62 2.94 48.46 3 0 21.22-999 ?-999 ?-999 ? MG MG C 701 mILE^C 155 89.86 1.04 48.71 89.85 1.19 47.72 89.91 -1.37 48.77 89.69 -1.68 47.60 89.28 -0.12 49.36 87.73 -0.15 49.22 3 0 20.45-999 ?-999 ?-999 ? MG MG C 701 mGLU^C 156 90.73 -2.06 49.56 90.91 -1.61 50.44 90.68 -4.43 50.06 90.82 -4.38 51.28 91.29 -3.35 49.18 92.81 -3.36 49.31 2 0 23.19-999 ?-999 ?-999 ? MG MG C 701 mASN^C 157 90.03 -5.41 49.44 90.05 -5.37 48.44 88.31 -5.76 51.09 87.54 -4.91 50.62 89.35 -6.45 50.18 90.40 -7.26 50.96 2 0 23.32-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 158 88.29 -6.07 52.38 88.98 -6.73 52.66 87.78 -4.23 54.01 87.13 -3.78 54.95 87.30 -5.47 53.27-999.99-999.99-999.99 1 0 22.66-999 ?-999 ?-999 ? MG MG C 701 mASN^C 159 88.92 -3.67 53.58 89.28 -4.09 52.74 89.55 -1.26 53.48 90.01 -1.24 52.35 89.56 -2.56 54.28 91.01 -2.93 54.63 2 0 23.69-999 ?-999 ?-999 ? MG MG C 701 mALA^C 160 89.04 -0.20 54.10 88.63 -0.41 54.98 90.16 1.98 54.20 90.37 1.86 55.41 89.08 1.14 53.52 87.73 1.83 53.65 2 0 21.91-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 161 90.83 2.82 53.42 90.56 2.80 52.45 92.14 4.80 52.94 92.02 4.59 51.73 91.86 3.70 53.94 93.16 2.93 54.25 3 0 24.13-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 162 92.51 5.96 53.46 92.41 6.02 54.46 94.45 6.71 52.28 95.18 6.10 53.07 93.01 7.04 52.64-999.99-999.99-999.99 1 0 24.51-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 163 94.86 7.10 51.08 94.18 7.59 50.53 96.57 7.37 49.28 95.71 7.86 48.56 96.21 6.81 50.63-999.99-999.99-999.99 1 0 26.64-999 ?-999 ?-999 ? MG MG C 701 mILE^C 164 97.86 7.31 48.97 98.43 6.99 49.71 99.25 6.52 47.20 100.04 5.97 47.98 98.38 7.67 47.67 99.18 8.99 47.72 3 0 27.96-999 ?-999 ?-999 ? MG MG C 701 mVAL^C 165 99.06 6.13 45.94 98.30 6.59 45.49 100.40 5.79 43.99 99.63 6.33 43.19 99.88 5.13 45.26 99.08 3.84 44.93 3 0 28.94-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 166 101.72 5.75 43.82 102.22 5.30 44.56 103.40 5.35 42.11 104.23 4.84 42.86 102.37 6.32 42.65 103.04 7.65 43.00 2 0 30.48-999 ?-999 ?-999 ? MG MG B 701 mALA^C 167 103.33 5.08 40.81 102.65 5.63 40.31 104.16 2.76 40.98 105.19 2.12 41.17 104.17 4.07 40.18 105.59 4.58 39.98 2 0 31.85-999 ?-999 ?-999 ? MG MG B 701 mSER^C 168 102.97 2.40 41.46 102.26 3.08 41.27 103.27 1.08 43.61 103.21 0.03 44.26 102.71 1.14 42.18 103.16 -0.08 41.35 2 0 31.83-999 ?-999 ?-999 ? MG MG C 701 mALA^C 169 103.81 2.19 44.11 103.83 2.95 43.46 103.38 3.05 46.38 102.87 4.10 45.98 104.32 2.26 45.48 105.71 2.87 45.52 2 0 33.51-999 ?-999 ?-999 ? MG MG C 701 mALA^C 170 103.15 2.56 47.59 103.56 1.66 47.76 103.23 4.40 49.15 104.12 4.13 49.97 102.36 3.30 48.57 101.87 2.37 49.67 2 0 32.02-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 171 102.99 5.63 48.72 102.24 5.70 48.06 103.22 7.32 50.54 103.94 7.97 51.31 103.76 6.78 49.21 103.82 7.93 48.17 2 0 33.49-999 ?-999 ?-999 ? MG MG C 701 mGLU^C 172 101.96 7.02 50.81 101.54 6.39 50.15 100.02 6.69 52.21 99.27 6.39 51.28 101.24 7.56 51.95 100.80 8.98 51.62 2 0 31.86-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 173 99.82 6.27 53.45 100.48 6.63 54.12 98.16 5.70 55.17 98.89 5.67 56.16 98.72 5.37 53.79 99.17 3.88 53.74 2 0 30.11-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 174 96.87 6.01 55.22 96.42 6.06 54.33 95.86 4.95 57.22 96.15 3.85 56.72 96.20 6.24 56.50-999.99-999.99-999.99 1 0 29.12-999 ?-999 ?-999 ? MG MG C 701 mSER^C 175 95.27 5.08 58.40 95.18 6.02 58.72 93.60 3.31 58.41 92.95 3.98 57.61 94.79 3.92 59.15 94.39 4.32 60.58 2 0 29.44-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 176 93.33 2.04 58.66 93.89 1.60 59.36 90.96 1.35 58.72 90.97 1.29 59.94 92.26 1.38 57.92 92.64 -0.04 57.46 2 0 26.94-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 177 89.85 1.42 57.99 90.00 1.64 57.03 88.01 -0.09 57.94 87.93 -0.19 56.71 88.54 1.20 58.56 87.62 2.39 58.28 3 0 24.61-999 ?-999 ?-999 ? MG MG C 701 mALA^C 178 87.68 -1.09 58.76 87.82 -0.88 59.73 85.66 -2.29 57.94 84.85 -1.92 58.80 87.16 -2.36 58.25 87.49 -3.52 59.19 2 0 24.32-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 179 85.31 -2.62 56.71 86.06 -2.95 56.14 83.14 -3.78 56.42 83.72 -4.82 56.73 83.93 -2.49 56.22 83.93 -2.12 54.74 3 0 20.92-999 ?-999 ?-999 ? MG MG C 701 mSER^C 180 81.83 -3.69 56.24 81.50 -2.76 56.09 80.48 -5.17 54.86 80.32 -4.26 54.05 80.97 -4.86 56.27 79.77 -4.63 57.21 2 0 20.38-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 181 80.24 -6.45 54.57 80.49 -7.09 55.31 78.22 -6.39 53.16 77.57 -6.07 54.15 79.67 -6.88 53.29 79.71 -8.41 53.10 2 0 18.93-999 ?-999 ?-999 ? MG MG C 701 mSER^C 182 77.73 -6.32 51.92 78.41 -6.57 51.23 75.85 -4.70 52.41 74.76 -4.72 53.00 76.35 -5.92 51.61 75.41 -7.10 51.80 2 0 15.94-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 183 76.66 -3.65 52.42 77.48 -3.76 51.86 76.51 -1.21 52.34 77.46 -1.11 51.57 76.35 -2.45 53.20 77.25 -2.35 54.46 2 0 14.90-999 ?-999 ?-999 ? MG MG C 701 mTRP^C 184 75.58 -0.27 52.50 74.85 -0.52 53.14 76.45 2.03 52.54 76.28 2.21 53.75 75.62 1.01 51.79 74.20 1.54 51.58 3 0 11.93-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 185 77.35 2.70 51.81 77.31 2.46 50.84 78.24 4.94 51.50 77.80 4.89 50.35 78.28 3.68 52.37 79.72 3.13 52.37 3 0 12.98-999 ?-999 ?-999 ? MG MG C 701 mILE^C 186 78.68 6.06 52.06 78.88 5.98 53.03 80.31 7.74 51.45 80.87 7.64 52.54 78.85 7.29 51.28 77.87 8.42 51.74 3 0 12.48-999 ?-999 ?-999 ? MG MG C 701 mCYH^C 187 80.93 8.19 50.36 80.42 8.08 49.51 82.29 10.13 49.75 81.82 10.27 48.61 82.26 8.78 50.44 83.34 7.86 49.86 2 0 14.56-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 188 82.83 11.12 50.45 83.00 10.90 51.41 84.64 12.60 49.73 85.40 12.40 50.69 83.13 12.41 49.86 82.50 13.54 50.68 2 0 16.12-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 189 85.07 12.95 48.52 84.35 12.96 47.83 86.50 14.80 48.02 85.68 15.35 47.29 86.45 13.27 48.23 86.92 12.48 47.00 3 0 18.41-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 190 87.42 15.48 48.70 88.03 14.91 49.25 88.89 17.40 48.20 89.88 17.14 48.88 87.50 16.94 48.62 87.08 17.58 49.96 2 0 21.18-999 ?-999 ?-999 ? MG MG C 701 mMETC 191 88.95 18.07 47.05 88.07 18.13 46.59 90.51 19.91 47.29 89.67 20.80 47.41 90.19 18.64 46.52 90.01 18.94 45.02 2 0 21.58-999 ?-999 ?-999 ? MG MG B 701 mLEU^C 192 91.72 20.00 47.82 92.31 19.20 47.64 92.92 22.10 47.67 93.41 21.67 46.61 92.14 21.16 48.59 92.96 20.73 49.82 3 0 23.52-999 ?-999 ?-999 ? MG MG B 701 mTHR^C 193 93.03 23.36 48.06 92.67 23.53 48.98 95.11 24.23 46.89 95.63 24.87 45.98 93.61 24.41 47.21 93.39 25.85 47.79 2 0 22.48-999 ?-999 ?-999 ? MG MG B 701 mASP^C 194 95.79 23.37 47.66 95.25 23.00 48.42 97.33 21.63 46.72 98.44 21.09 46.61 97.18 23.00 47.40 98.00 23.05 48.70 2 0 24.43-999 ?-999 ?-999 ? MG MG B 701 mASP^C 195 96.20 21.08 46.27 95.40 21.64 46.47 96.27 18.57 46.46 96.36 17.44 45.98 96.12 19.79 45.55 97.05 19.71 44.32 2 0 22.81-999 ?-999 ?-999 ? MG MG B 701 mARG^C 196 96.27 18.81 47.77 96.42 19.76 48.02 94.61 17.36 48.67 93.83 18.01 47.96 96.08 17.73 48.72 96.48 18.18 50.13 2 0 25.97-999 ?-999 ?-999 ? MG MG B 701 mPHE^C 197 94.23 16.32 49.40 94.96 15.88 49.91 92.39 15.45 50.82 93.21 15.07 51.67 92.83 15.88 49.43 92.60 14.75 48.42 3 0 25.30-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 198 91.09 15.50 51.03 90.58 15.98 50.32 89.39 13.95 51.73 88.61 14.30 50.84 90.47 14.92 52.21 89.87 16.00 53.10 2 0 23.97-999 ?-999 ?-999 ? MG MG C 701 mVAL^C 199 89.39 12.74 52.29 90.18 12.56 52.87 87.56 11.50 53.34 88.17 11.38 54.41 88.30 11.79 52.05 88.75 10.44 51.40 3 0 21.04-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 200 86.24 11.39 53.23 85.88 11.55 52.31 84.45 9.95 54.00 83.75 10.05 52.98 85.41 11.05 54.38 84.64 12.28 54.90 2 0 19.93-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 201 84.43 8.90 54.81 85.14 8.93 55.52 82.36 7.94 55.69 82.60 8.22 56.87 83.49 7.80 54.66 84.21 6.46 54.82 3 0 18.08-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 202 81.12 7.76 55.23 81.08 7.56 54.25 79.12 6.59 55.99 79.24 5.80 55.03 79.94 7.87 56.07 79.03 9.03 55.61 3 0 17.06-999 ?-999 ?-999 ? MG MG C 701 mSER^C 203 78.26 6.39 56.98 78.39 7.00 57.76 76.15 5.82 55.94 76.15 6.98 55.49 77.24 5.36 56.91 76.64 5.13 58.30 2 0 16.44-999 ?-999 ?-999 ? MG MG C 701 mASP^C 204 75.20 4.94 55.65 75.31 4.05 56.09 73.15 6.36 55.28 72.36 6.92 54.53 74.09 5.27 54.74 73.30 4.01 54.36 2 0 13.42-999 ?-999 ?-999 ? MG MG C 701 mSER^C 205 73.25 6.66 56.58 73.87 6.08 57.09 73.32 9.07 57.32 72.86 10.02 57.95 72.49 7.78 57.15 71.82 7.36 58.47 2 0 15.75-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 206 74.52 9.08 56.75 74.78 8.22 56.33 76.20 10.49 58.02 76.74 11.57 58.23 75.38 10.27 56.76-999.99-999.99-999.99 1 0 16.44-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 207 76.30 9.46 58.85 75.77 8.65 58.58 78.58 9.30 59.71 78.91 8.33 59.04 77.11 9.52 60.07 76.63 8.47 61.10 2 0 19.80-999 ?-999 ?-999 ? MG MG C 701 mGLN^C 208 79.46 10.20 60.15 79.09 10.93 60.71 81.50 8.84 60.47 81.38 8.65 61.68 80.88 10.06 59.80 81.69 11.32 60.10 2 0 21.11-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 209 82.15 8.01 59.66 82.19 8.33 58.71 84.29 6.84 60.09 84.96 6.24 60.92 82.77 6.76 60.11 82.31 5.60 59.21 3 0 21.85-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 210 84.82 7.58 59.12 84.16 8.09 58.57 86.57 8.88 58.08 85.79 9.26 57.21 86.26 7.64 58.89 86.68 6.38 58.11 3 0 23.03-999 ?-999 ?-999 ? MG MG C 701 mSER^C 211 87.71 9.52 58.35 88.15 9.24 59.20 89.77 10.52 57.38 90.43 10.14 58.35 88.24 10.53 57.43 87.72 11.94 57.75 2 0 23.82-999 ?-999 ?-999 ? MG MG C 701 mTYR^C 212 90.31 10.93 56.24 89.64 11.15 55.54 92.05 12.31 55.25 91.40 12.55 54.24 91.75 11.05 56.05 92.29 9.82 55.31 3 0 25.76-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 213 93.01 13.11 55.72 93.33 12.85 56.63 94.99 13.97 54.59 95.82 13.66 55.44 93.54 14.25 54.98 93.47 15.57 55.80 2 0 27.50-999 ?-999 ?-999 ? MG MG C 701 mSER^C 214 95.28 14.07 53.30 94.52 14.36 52.72 97.70 14.77 53.28 97.39 15.92 53.60 96.63 13.77 52.80 96.63 13.64 51.27 2 0 29.03-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 215 98.94 14.29 53.35 99.00 13.31 53.20 100.64 15.67 52.30 100.89 16.87 52.16 100.10 15.14 53.62 101.20 14.36 54.39 2 0 32.70-999 ?-999 ?-999 ? MG MG B 701 mALA^C 216 100.80 14.78 51.33 100.55 13.84 51.59 100.15 15.38 49.05 99.00 15.01 49.32 101.30 15.14 50.02 102.22 14.05 49.50 2 0 30.47-999 ?-999 ?-999 ? MG MG B 701 mALA^C 217 100.46 16.01 47.91 101.43 16.27 47.84 98.97 14.99 46.24 99.71 14.01 46.13 99.47 16.28 46.87 100.05 17.19 45.82 2 0 26.67-999 ?-999 ?-999 ? MG MG B 701 mMETC 218 97.70 14.99 45.83 97.21 15.84 46.03 97.83 13.45 43.87 98.57 14.27 43.29 97.08 13.85 45.15 95.61 14.17 44.83 2 0 25.03-999 ?-999 ?-999 ? MG MG B 701 mPHE^C 219 97.65 12.20 43.45 97.25 11.57 44.12 97.21 12.62 41.08 95.98 12.70 41.18 98.03 11.81 42.09 97.82 10.30 41.82 3 0 24.46-999 ?-999 ?-999 ? MG MG B 701 mARG^C 220 97.90 13.20 40.10 98.89 13.04 40.13 97.93 13.77 37.73 99.14 13.77 37.64 97.25 13.99 39.07 97.29 15.48 39.43 2 0 21.01-999 ?-999 ?-999 ? MG MG B 701 mALA^C 221 97.11 13.55 36.70 96.18 13.32 36.97 96.46 14.36 34.56 95.30 13.91 34.52 97.55 13.63 35.31 97.79 12.25 34.72 2 0 19.47-999 ?-999 ?-999 ? MG MG B 701 mASP^C 222 96.81 15.52 33.99 97.78 15.75 34.11 95.74 15.95 31.79 95.87 16.77 30.88 95.86 16.36 33.27 96.21 17.84 33.42 2 0 15.86-999 ?-999 ?-999 ? MG MG B 701 mASN^C 223 95.45 14.67 31.59 95.39 14.14 32.44 94.36 12.85 30.41 93.88 12.57 31.51 95.25 14.09 30.26 96.59 13.77 29.59 2 0 15.88-999 ?-999 ?-999 ? MG MG B 701 mALA^C 224 94.13 12.13 29.32 94.65 12.41 28.51 93.79 9.68 29.83 93.14 8.65 29.73 93.19 11.01 29.35 92.49 10.84 27.98 2 0 16.81-999 ?-999 ?-999 ? MG MG B 701 mTHR^C 225 95.02 9.70 30.35 95.51 10.57 30.24 95.00 8.37 32.45 95.13 7.31 33.08 95.58 8.52 31.04 97.14 8.55 31.16 2 0 20.46-999 ?-999 ?-999 ? MG MG B 701 mALA^C 226 94.37 9.44 32.94 94.34 10.23 32.33 92.33 9.92 34.25 91.89 10.52 33.27 93.77 9.41 34.27 94.62 10.23 35.24 2 0 19.75-999 ?-999 ?-999 ? MG MG B 701 mHIS^C 227 91.59 9.64 35.33 92.03 9.00 35.95 90.11 10.39 37.07 90.89 9.82 37.85 90.27 10.20 35.57 89.17 9.25 35.07 3 0 18.24-999 ?-999 ?-999 ? MG MG B 701 mILE^C 228 89.13 11.19 37.47 88.66 11.66 36.73 87.32 10.98 39.13 86.43 11.40 38.39 88.79 11.36 38.89 89.18 12.79 39.44 3 0 18.80-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 229 87.07 10.15 40.15 87.88 9.88 40.67 85.69 8.36 41.18 86.30 8.21 42.24 85.72 9.68 40.44-999.99-999.99-999.99 1 0 15.21-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 230 84.98 7.39 40.61 84.55 7.66 39.75 85.37 5.02 40.23 85.04 5.03 39.04 84.83 6.05 41.20 83.34 5.78 41.48 3 0 13.67-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 231 86.21 4.12 40.74 86.47 4.28 41.69 86.73 1.74 40.78 87.29 1.74 41.88 86.70 3.01 39.94 88.10 3.31 39.38 2 0 15.80-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 232 86.14 0.67 40.28 85.66 0.83 39.42 86.81 -1.63 39.97 86.52 -1.58 38.77 86.22 -0.62 40.95 84.86 -1.06 41.54 2 0 16.22-999 ?-999 ?-999 ? MG MG C 701 mGLN^C 233 87.63 -2.54 40.49 87.57 -2.61 41.49 88.80 -4.70 40.29 88.82 -4.85 41.52 88.53 -3.34 39.67 89.87 -2.60 39.54 2 0 19.53-999 ?-999 ?-999 ? MG MG C 701 mCYH^C 234 89.02 -5.69 39.43 88.86 -5.45 38.47 90.90 -7.23 39.43 91.22 -7.10 38.26 89.46 -7.01 39.87 88.56 -8.11 39.30 2 0 22.17-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 235 91.76 -7.55 40.39 91.34 -7.67 41.29 93.57 -9.05 39.54 94.69 -9.22 39.06 93.20 -7.70 40.14 93.99 -7.49 41.43 2 0 25.67-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 236 92.65 -10.01 39.58 91.78 -9.72 39.99 92.06 -11.68 37.85 91.11 -10.95 37.51 92.91 -11.36 39.08 92.68 -12.44 40.16 2 0 27.56-999 ?-999 ?-999 ? MG MG C 701 mALA^C 237 92.41 -12.79 37.20 93.17 -13.29 37.62 90.65 -14.27 36.31 90.38 -15.15 35.49 91.73 -13.23 36.00 92.75 -13.79 35.00 2 0 28.31-999 ?-999 ?-999 ? MG MG C 701 mTHR^C 238 90.01 -14.17 37.47 90.35 -13.46 38.09 87.55 -14.36 37.76 87.38 -13.31 38.40 88.90 -15.08 37.77 89.12 -15.97 39.05 2 0 27.36-999 ?-999 ?-999 ? MG MG C 701 mALA^C 239 86.60 -14.91 37.00 86.88 -15.76 36.57 84.36 -14.63 38.01 84.61 -15.58 38.75 85.28 -14.30 36.84 84.65 -14.75 35.53 2 0 24.69-999 ?-999 ?-999 ? MG MG C 701 mGLY^C 240 83.29 -13.85 38.17 83.26 -13.06 37.56 82.50 -13.47 40.53 81.68 -13.62 41.44 82.27 -14.13 39.17-999.99-999.99-999.99 1 0 22.59-999 ?-999 ?-999 ? MG MG C 701 mILE^C 241 83.61 -12.76 40.67 84.23 -12.78 39.88 83.13 -10.69 41.83 83.32 -9.90 40.89 83.89 -12.01 41.89 85.40 -11.71 42.08 3 0 21.55-999 ?-999 ?-999 ? MG MG C 701 mSER^C 242 82.26 -10.46 42.82 82.16 -11.22 43.46 82.49 -8.07 43.29 83.38 -8.24 44.13 81.53 -9.20 42.93 80.41 -9.28 43.97 2 0 17.94-999 ?-999 ?-999 ? MG MG C 701 mLEU^C 243 82.31 -6.93 42.63 81.64 -7.00 41.88 82.05 -4.75 43.66 80.96 -5.17 44.05 83.03 -5.70 42.97 83.66 -5.07 41.71 3 0 16.29-999 ?-999 ?-999 ? MG MG C 701 mILE^C 244 82.42 -3.49 43.81 83.31 -3.25 43.41 80.44 -2.01 43.60 80.71 -1.60 42.47 81.56 -2.56 44.53 82.41 -1.48 45.27 3 0 13.39-999 ?-999 ?-999 ? MG MG C 701 mSER^C 245 79.20 -2.06 44.06 79.13 -2.47 44.97 77.94 -0.04 43.46 78.31 0.50 44.49 78.05 -1.55 43.31 76.75 -2.20 43.79 2 0 9.91-999 ?-999 ?-999 ? MG MG C 701 mILE^C 246 77.43 0.64 42.44 77.18 0.08 41.65 75.81 2.55 42.26 75.16 2.11 41.30 77.26 2.11 42.51 78.30 2.88 41.63 3 0 6.98-999 ?-999 ?-999 ? MG MG C 701 mASP^C 247 75.33 3.39 43.17 75.99 3.59 43.91 74.08 5.37 42.47 73.31 5.69 41.59 74.00 3.98 43.13 73.48 4.11 44.58 2 0 -3.50-999 ?-999 ?-999 ? MG MG C 701s mLEU^C 248 75.06 6.17 42.88 75.80 5.71 43.38 76.40 8.21 42.74 77.15 7.88 43.67 75.02 7.59 42.61 74.04 8.26 43.60 3 0 4.54-999 ?-999 ?-999 ? MG MG C 701 mILE^C 249 76.74 9.09 41.80 76.08 9.15 41.05 77.59 11.35 41.61 76.70 11.63 40.82 77.95 9.89 41.88 79.07 9.35 40.91 3 0 8.14-999 ?-999 ?-999 ? MG MG C 701 mGLU^C 250 78.27 12.27 42.29 78.94 11.89 42.92 79.40 14.44 42.03 80.30 14.15 42.80 78.06 13.71 42.11 77.22 14.26 43.28 2 0 10.80-999 ?-999 ?-999 ? MG MG C 701 mPHE^C 251 79.51 15.36 41.07 78.71 15.40 40.47 80.26 17.70 41.11 79.31 18.16 40.47 80.68 16.24 40.91 81.27 16.11 39.50 3 0 14.44-999 ?-999 ?-999 ? MG MG C 701 mLYS^C 252 80.98 18.42 41.97 81.61 17.88 42.52 82.12 20.65 42.28 82.95 20.26 43.10 80.81 19.88 42.06 79.76 20.31 43.09 2 0 16.49-999 ?-999 ?-999 ? MG MG B 701 mALA^C 253 82.27 21.74 41.54 81.47 21.98 40.99 83.25 23.99 41.24 82.18 24.35 40.72 83.51 22.52 41.54 84.46 21.95 40.51 2 0 14.99-999 ?-999 ?-999 ? MG MG B 701 mLYS^C 254 84.22 24.83 41.58 84.95 24.43 42.12 85.06 26.38 39.93 86.18 25.88 39.89 84.20 26.24 41.17 84.74 27.12 42.30 2 0 14.45-999 ?-999 ?-999 ? MG MG B 701 mVAL^C 255 84.54 27.05 38.90 83.63 27.43 39.06 85.33 28.63 37.15 84.53 29.45 37.56 85.27 27.18 37.63 84.69 26.29 36.49 3 0 11.12-999 ?-999 ?-999 ? MG MG B 701 mSER^C 256 86.30 28.91 36.29 86.95 28.17 36.15 85.86 30.00 34.22 86.48 29.33 33.39 86.40 30.20 35.62 87.85 30.68 35.59 2 0 10.47-999 ?-999 ?-999 ? MG MG B 701 mALA^C 257 84.68 30.54 33.97 84.29 31.06 34.73 83.23 31.60 32.27 82.19 31.49 31.63 84.03 30.37 32.67 83.14 29.13 32.69 2 0 7.97-999 ?-999 ?-999 ? MG MG B 701 mTHR^C 258 83.73 32.77 32.66 84.56 32.70 33.22 83.56 34.47 30.90 84.71 34.83 30.67 83.11 34.04 32.29 83.39 35.16 33.31 2 0 10.64-999 ?-999 ?-999 ? MG MG B 701 mARG^C 259 82.61 34.40 29.97 81.72 34.12 30.32 81.99 35.86 28.11 80.91 36.08 28.66 82.87 34.72 28.57 82.68 33.48 27.71 2 0 9.97-999 ?-999 ?-999 ? MG MG B 701 mALA^C 260 82.46 36.58 27.09 83.36 36.29 26.77 80.43 37.21 25.91 80.41 36.22 25.19 81.73 37.70 26.53 82.58 38.42 25.48 2 0 12.94-999 ?-999 ?-999 ? MG MG B 701 mLYS^C 261 79.34 37.92 26.19 79.49 38.65 26.86 77.88 38.51 24.32 78.23 39.69 24.35 78.06 37.63 25.56 76.91 37.84 26.55 2 0 14.11-999 ?-999 ?-999 ? MG MG B 701 mVAL^C 262 77.38 37.92 23.24 77.14 36.96 23.37 75.76 38.60 21.47 75.35 39.41 20.64 77.21 38.65 21.98 78.22 38.19 20.87 3 0 16.08-999 ?-999 ?-999 ? MG MG B 701