HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUL-06 2HQY COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; SOURCE 3 ORGANISM_TAXID: 226186; SOURCE 4 STRAIN: VPI-5482; SOURCE 5 GENE: BT_3689; 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: PMCSG7 AUTHOR B.NOCEK,M.BOROVILOS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET COA A1001 48 SSBOND 1 CYS A 92 CYS A 294 1555 1555 2.16 SSBOND 2 CYS A 176 CYS A 181 1555 1555 2.18 SSBOND 3 CYS B 92 CYS B 294 1555 1555 2.12 SSBOND 4 CYS B 176 CYS B 181 1555 1555 2.05 SITE 1 AC1 15 TRP A 175 ASN A 179 THR A 187 GLU A 190 mMET.A 1 45.57 56.28 -10.31 45.35 55.33 -10.51 45.48 57.96 -8.60 45.78 59.00 -8.07 45.89 57.65 -10.02 45.18 58.56 -11.02 2 0 36.00-999 ?-999 ?-999 ? N6A COA A1001 mILE.A 2 44.77 57.04 -7.99 44.33 56.39 -8.61 45.92 56.36 -5.99 46.22 55.20 -6.32 44.65 57.01 -6.54 43.38 56.31 -6.01 3 0 32.94-999 ?-999 ?-999 ? N6A COA A1001 mPRO.A 3 46.69 57.12 -5.19 46.33 58.02 -4.98 47.67 55.69 -3.47 47.99 56.05 -2.34 47.95 56.61 -4.67 48.66 57.88 -4.22 3 0 32.66-999 ?-999 ?-999 ? N6A COA A1001 mPHE.A 4 47.03 54.55 -3.71 46.78 54.40 -4.67 48.06 53.11 -2.03 49.02 52.80 -2.76 46.75 53.60 -2.62 45.90 52.42 -3.09 3 0 28.86-999 ?-999 ?-999 ? N6A COA A1001 mLYS^A 5 48.08 53.01 -0.70 47.27 53.36 -0.24 48.79 51.41 1.00 47.71 51.52 1.58 49.22 52.44 -0.03 50.06 53.52 0.63 2 0 27.74-999 ?-999 ?-999 ? N1A COA A1001 mASP^A 6 49.66 50.43 1.20 50.46 50.46 0.62 49.26 50.06 3.59 50.07 50.90 3.99 49.40 49.41 2.22 50.55 48.40 2.28 2 0 24.60-999 ?-999 ?-999 ? N1A COA A1001 mILE.A 7 48.26 49.64 4.35 47.65 48.97 3.93 49.24 49.62 6.61 49.65 48.47 6.48 48.11 50.16 5.70 46.72 49.83 6.28 3 0 22.66-999 ?-999 ?-999 ? N1A COA A1001 mTHR~A 8 49.74 50.47 7.49 49.37 51.40 7.43 50.56 50.72 9.82 49.85 51.72 9.93 50.77 50.06 8.47 52.22 50.41 7.99 2 0 23.09-999 ?-999 ?-999 ? N1A COA A1001 mLEU~A 9 51.22 50.17 10.85 51.66 49.30 10.63 51.55 52.31 12.16 50.99 53.05 12.97 51.28 50.81 12.18 52.42 50.20 13.00 3 0 23.07-999 ?-999 ?-999 ? N1A COA A1001 mALA~A 10 52.42 52.74 11.26 52.74 52.03 10.63 51.74 55.09 10.78 51.85 56.30 10.94 52.86 54.14 11.20 54.07 54.27 10.26 2 0 26.74-999 ?-999 ?-999 ? N1A COA A1001 mASP~A 11 50.65 54.54 10.27 50.65 53.54 10.29 48.47 55.65 10.74 47.41 56.17 10.38 49.56 55.34 9.72 48.94 54.63 8.50 2 0 26.09-999 ?-999 ?-999 ? N1A COA A1001 mARG~A 12 48.73 55.31 12.00 49.63 54.92 12.14 47.21 56.94 13.11 45.99 57.13 13.08 47.76 55.51 13.06 48.38 55.14 14.40 2 0 24.75-999 ?-999 ?-999 ? N1A COA A1001 mASP~A 13 48.09 57.94 13.16 49.04 57.63 13.12 46.83 59.78 12.07 45.82 60.49 12.22 47.66 59.35 13.26 48.87 60.29 13.44 2 0 28.12-999 ?-999 ?-999 ? N1A COA A1001 mTHR~A 14 47.26 59.37 10.87 48.08 58.80 10.91 45.15 59.20 9.59 44.19 59.97 9.27 46.59 59.74 9.63 47.38 59.22 8.39 2 0 28.61-999 ?-999 ?-999 ? N1A COA A1001 mILE~A 15 44.98 57.92 9.91 45.82 57.45 10.18 42.73 57.77 10.98 41.59 58.15 10.72 43.67 57.29 9.85 43.78 55.75 9.80 3 0 25.34-999 ?-999 ?-999 ? N1A COA A1001 mTHR~A 16 43.23 57.78 12.22 44.19 57.52 12.27 41.99 59.62 13.34 40.98 60.00 13.94 42.39 58.15 13.37 43.02 57.74 14.73 2 0 25.21-999 ?-999 ?-999 ? N1A COA A1001 mALA~A 17 42.74 60.45 12.60 43.55 60.04 12.20 40.98 61.93 11.72 40.18 62.84 11.98 42.34 61.85 12.43 43.38 62.62 11.66 2 0 28.87-999 ?-999 ?-999 ? N1A COA A1001 mPHE~A 18 40.76 61.00 10.79 41.53 60.38 10.64 38.44 60.14 10.89 37.28 60.55 10.93 39.50 60.90 10.08 39.69 60.18 8.72 3 0 27.84-999 ?-999 ?-999 ? N1A COA A1001 mTHR~A 19 38.79 58.98 11.45 39.77 58.76 11.43 37.26 58.69 13.39 36.07 58.57 13.69 37.76 58.13 12.05 38.25 56.65 12.26 2 0 24.60-999 ?-999 ?-999 ? N1A COA A1001 mMET~A 20 38.13 59.29 14.20 39.04 59.47 13.83 36.56 60.69 15.48 35.58 60.58 16.20 37.68 59.65 15.55 38.83 60.08 16.48 2 0 25.82-999 ?-999 ?-999 ? N1A COA A1001 mLYS.A 21 36.69 61.65 14.57 37.49 61.57 13.98 34.44 62.31 13.72 33.46 63.07 13.69 35.70 62.73 14.46 36.31 63.97 13.79 2 0 28.88-999 ?-999 ?-999 ? N1A COA A1001 mSER.A 22 34.46 61.13 13.10 35.30 60.60 13.27 32.22 60.13 13.12 32.40 59.88 14.31 33.35 60.66 12.26 33.83 59.58 11.29 2 0 27.15-999 ?-999 ?-999 ? N1A COA A1001 mASP.A 23 31.05 59.93 12.52 30.99 60.25 11.57 29.84 57.79 12.90 28.83 57.17 13.16 29.98 59.28 13.26 28.67 60.09 13.16 2 0 26.24-999 ?-999 ?-999 ? N1A COA A1001 mARG.A 24 30.92 57.23 12.36 31.68 57.86 12.23 31.31 54.95 13.20 32.32 55.18 13.84 30.95 55.81 12.00 31.97 55.62 10.88 2 0 22.84-999 ?-999 ?-999 ? N1A COA A1001 mARG.A 25 30.47 53.95 13.50 29.72 53.84 12.85 31.08 51.68 14.35 31.27 50.85 15.25 30.68 53.12 14.68 29.43 53.15 15.55 2 0 20.00-999 ?-999 ?-999 ? N1A COA A1001 mASN~A 26 31.22 51.36 13.07 31.14 52.10 12.40 32.92 49.51 13.05 33.89 50.28 12.86 31.48 49.95 12.76 31.00 49.58 11.37 2 0 16.99-999 ?-999 ?-999 ? N1A COA A1001 mCYH~A 27 33.03 48.28 13.55 32.19 47.74 13.51 35.35 47.71 13.06 36.54 47.71 13.38 34.29 47.79 14.12 34.10 46.42 14.79 2 0 14.13-999 ?-999 ?-999 ? N1A COA A1001 mASP~A 28 34.95 47.62 11.79 33.96 47.62 11.65 36.79 48.79 10.58 37.80 48.78 9.87 35.95 47.52 10.72 35.31 47.14 9.40 2 0 14.57-999 ?-999 ?-999 ? N1A COA A1001 mLEU~A 29 36.36 49.88 11.22 35.50 49.76 11.71 38.09 51.33 12.35 38.80 52.36 12.43 37.12 51.13 11.18 36.17 52.34 11.06 3 0 17.90-999 ?-999 ?-999 ? N1A COA A1001 mSER~A 30 38.13 50.36 13.27 37.40 49.69 13.20 40.55 50.22 13.60 40.75 49.37 12.71 39.19 50.35 14.28 39.02 49.19 15.24 2 0 16.84-999 ?-999 ?-999 ? N1A COA A1001 mPHE~A 31 41.48 51.07 14.01 41.17 51.72 14.70 43.47 49.65 13.68 44.13 49.14 12.77 42.83 51.02 13.47 43.71 52.13 14.04 3 0 18.59-999 ?-999 ?-999 ? N1A COA A1001 mSER~A 32 43.29 49.05 14.87 42.77 49.58 15.54 43.22 46.69 14.18 43.96 45.83 13.66 43.82 47.74 15.14 43.51 47.28 16.59 2 0 15.90-999 ?-999 ?-999 ? N1A COA A1001 mASN~A 33 41.91 46.75 13.97 41.44 47.48 14.46 41.78 45.94 11.63 42.07 44.96 10.95 41.27 45.77 13.07 39.75 45.90 13.13 2 0 13.28-999 ?-999 ?-999 ? N1A COA A1001 mLEU~A 34 41.95 47.19 11.20 41.72 47.90 11.87 43.86 46.87 9.65 44.10 46.22 8.63 42.46 47.47 9.86 42.48 48.98 9.58 3 0 16.17-999 ?-999 ?-999 ? N1A COA A1001 mCYH~A 35 44.77 47.08 10.61 44.45 47.60 11.41 46.19 45.05 10.66 46.93 44.35 9.93 46.13 46.56 10.46 47.05 47.22 11.49 2 0 17.07-999 ?-999 ?-999 ? N1A COA A1001 mSER~A 36 45.47 44.54 11.66 44.83 45.19 12.09 44.96 42.19 11.07 45.32 41.01 11.01 45.63 43.14 12.05 45.11 42.87 13.47 2 0 13.86-999 ?-999 ?-999 ? N1A COA A1001 mTRP~A 37 43.98 42.69 10.31 43.72 43.63 10.52 43.96 42.09 7.84 43.50 41.49 6.85 43.37 41.87 9.24 41.83 42.02 9.24 3 0 12.69-999 ?-999 ?-999 ? N1A COA A1001 mARG~A 38 44.99 42.94 7.75 45.27 43.36 8.62 46.17 41.91 5.81 46.22 41.79 4.58 45.64 43.21 6.46 46.77 44.22 6.67 2 0 16.34-999 ?-999 ?-999 ? N1A COA A1001 mPHE~A 39 46.59 40.96 6.64 46.47 41.18 7.61 46.13 38.98 5.28 46.49 38.21 4.41 47.17 39.70 6.14 47.59 38.79 7.30 3 0 15.82-999 ?-999 ?-999 ? N6A COA A1001 mLEU~A 40 44.84 39.22 5.53 44.66 39.91 6.23 43.35 39.24 3.55 42.96 38.62 2.53 43.80 38.47 4.81 42.61 38.21 5.73 3 0 13.71-999 ?-999 ?-999 ? N6A COA A1001 mTYR~A 41 43.34 40.56 3.64 43.79 40.91 4.46 43.66 42.27 1.76 43.21 43.03 0.90 42.71 41.41 2.59 41.68 42.33 3.24 3 0 16.01-999 ?-999 ?-999 ? N6A COA A1001 mASP~A 42 44.96 42.18 2.04 45.18 41.51 2.75 45.52 44.50 1.38 45.59 45.21 0.38 45.95 43.03 1.34 46.14 42.56 -0.11 2 0 19.37-999 ?-999 ?-999 ? N6A COA A1001 mTHR.A 43 45.07 44.94 2.55 45.25 44.29 3.29 45.24 47.44 2.40 46.40 47.54 2.82 44.38 46.23 2.76 43.90 46.28 4.21 2 0 19.62-999 ?-999 ?-999 ? N6A COA A1001 mGLN^A 44 44.65 48.35 1.62 43.75 48.08 1.30 44.40 50.80 1.63 43.19 50.62 1.81 45.32 49.62 1.29 45.73 49.62 -0.20 2 0 23.23-999 ?-999 ?-999 ? N6A COA A1001 mPHE^A 45 44.97 51.99 1.74 45.97 51.98 1.66 44.76 54.36 1.15 45.91 54.33 0.69 44.18 53.20 1.95 44.11 53.60 3.43 3 0 25.15-999 ?-999 ?-999 ? N1A COA A1001 mALA^A 46 43.94 55.39 1.01 43.01 55.21 1.34 43.51 57.75 1.03 42.38 57.52 1.44 44.37 56.65 0.44 44.26 56.62 -1.07 2 0 28.72-999 ?-999 ?-999 ? N1A COA A1001 mVAL^A 47 44.10 58.94 1.13 45.10 58.92 1.13 43.10 60.70 -0.20 44.06 60.96 -0.95 43.29 60.14 1.24 43.89 61.15 2.25 3 0 30.91-999 ?-999 ?-999 ? N1A COA A1001 mILE^A 48 41.85 60.83 -0.62 41.16 60.42 -0.02 40.35 62.44 -1.68 39.30 62.03 -1.15 41.55 61.52 -1.85 41.30 60.55 -3.02 3 0 33.21-999 ?-999 ?-999 ? N6A COA A1001 mASP.A 49 40.48 63.68 -2.17 41.39 63.89 -2.54 38.87 64.89 -0.69 37.66 64.99 -0.49 39.37 64.63 -2.13 38.19 64.08 -2.96 2 0 35.72-999 ?-999 ?-999 ? N6A COA A1001 mASP.A 50 39.77 64.97 0.30 40.72 64.92 -0.03 38.61 63.91 2.38 38.01 64.03 3.46 39.39 65.12 1.74 38.62 66.42 1.98 2 0 34.43-999 ?-999 ?-999 ? N1A COA A1001 mPHE^A 51 38.60 62.77 1.70 38.99 62.83 0.78 39.14 60.53 2.53 40.11 60.46 1.76 38.04 61.56 2.30 37.03 60.91 1.38 3 0 30.87-999 ?-999 ?-999 ? N1A COA A1001 mLEU^A 52 38.93 59.68 3.53 38.14 59.92 4.09 39.08 57.34 3.11 37.91 57.05 3.41 39.77 58.52 3.78 39.89 58.28 5.28 3 0 27.68-999 ?-999 ?-999 ? N1A COA A1001 mVAL^A 53 39.79 56.65 2.22 40.72 57.00 2.10 40.06 54.23 1.64 41.26 54.32 1.70 39.21 55.50 1.50 38.98 55.87 0.01 3 0 26.02-999 ?-999 ?-999 ? N6A COA A1001 mPHE^A 54 39.42 53.06 1.73 38.42 53.14 1.65 39.78 50.88 0.75 38.67 50.99 0.18 40.13 51.78 1.92 39.74 51.11 3.23 3 0 22.84-999 ?-999 ?-999 ? N6A COA A1001 mLYS^A 55 40.73 50.02 0.37 41.56 50.10 0.93 41.08 47.72 -0.20 42.17 47.66 0.42 40.60 49.07 -0.74 41.44 49.55 -1.92 2 0 22.42-999 ?-999 ?-999 ? N6A COA A1001 mPHE^A 56 40.24 46.69 -0.40 39.46 46.96 -0.96 40.23 44.30 -0.97 39.38 44.48 -1.85 40.42 45.32 0.14 39.31 44.90 1.15 3 0 19.21-999 ?-999 ?-999 ? N6A COA A1001 mTRP^A 57 40.95 43.19 -0.87 41.68 43.23 -0.19 40.19 40.93 -0.78 40.95 40.40 0.03 40.68 42.03 -1.71 41.94 41.58 -2.44 3 0 18.87-999 ?-999 ?-999 ? N6A COA A1001 mALA^A 58 38.88 40.66 -0.86 38.38 41.26 -1.48 38.18 38.42 -1.05 37.20 38.28 -1.83 38.25 39.59 -0.10 36.85 40.01 0.34 2 0 15.78-999 ?-999 ?-999 ? N6A COA A1001 mGLY.A 59 39.22 37.59 -1.04 39.87 37.74 -0.29 39.30 37.24 -3.41 39.95 38.25 -3.63 39.38 36.57 -2.06-999.99-999.99-999.99 1 0 16.89-999 ?-999 ?-999 ? N6A COA A1001 mGLU.A 60 38.46 36.71 -4.30 37.99 35.89 -3.95 37.44 38.58 -5.69 37.33 39.22 -6.75 38.24 37.27 -5.64 37.55 36.23 -6.53 2 0 20.23-999 ?-999 ?-999 ? N6A COA A1001 mGLN^A 61 36.85 38.96 -4.56 37.03 38.36 -3.78 36.86 41.39 -4.18 37.48 41.47 -3.10 36.01 40.14 -4.48 34.95 39.95 -3.38 2 0 19.73-999 ?-999 ?-999 ? N6A COA A1001 mLEU^A 62 36.91 42.33 -5.11 36.51 42.07 -5.99 36.46 44.46 -4.13 35.30 44.51 -4.59 37.52 43.65 -4.83 37.91 44.37 -6.13 3 0 21.68-999 ?-999 ?-999 ? N6A COA A1001 mALA^A 63 36.82 45.13 -3.03 37.77 45.01 -2.73 36.47 47.22 -1.78 37.67 47.24 -1.49 35.83 45.97 -2.36 35.13 45.20 -1.26 2 0 20.81-999 ?-999 ?-999 ? N6A COA A1001 mTYR^A 64 35.66 48.27 -1.66 34.74 48.11 -2.02 35.19 49.79 0.16 34.10 49.26 0.23 36.08 49.55 -1.05 35.93 50.70 -2.08 3 0 22.33-999 ?-999 ?-999 ? N6A COA A1001 mMET^A 65 35.67 50.56 1.13 36.63 50.83 1.05 34.03 52.21 1.82 34.45 52.91 0.91 34.80 50.94 2.23 35.68 51.18 3.48 2 0 21.41-999 ?-999 ?-999 ? N6A COA A1001 mMET.A 66 32.88 52.47 2.45 32.52 51.73 3.01 33.26 54.83 2.73 33.84 54.71 3.81 32.23 53.76 2.29 30.95 53.82 3.15 2 0 23.97-999 ?-999 ?-999 ? N6A COA A1001 mPRO.A 67 33.54 55.84 1.87 33.05 55.80 1.00 34.16 57.58 3.54 32.99 57.85 3.84 34.48 56.90 2.21 34.33 57.89 1.05 3 0 26.63-999 ?-999 ?-999 ? N6A COA A1001 mVAL^A 68 35.21 57.84 4.31 36.08 57.55 3.92 35.51 59.96 5.44 36.63 60.25 5.03 35.08 58.51 5.60 35.94 57.82 6.69 3 0 26.69-999 ?-999 ?-999 ? N1A COA A1001 mGLY^A 69 34.61 60.87 5.79 33.73 60.49 6.06 33.78 63.13 5.23 32.66 62.65 5.11 34.93 62.31 5.76-999.99-999.99-999.99 1 0 30.18-999 ?-999 ?-999 ? N1A COA A1001 mASN.A 70 34.09 64.38 4.92 35.05 64.62 5.05 33.59 65.91 3.16 34.76 66.28 3.07 33.07 65.29 4.44 32.77 66.35 5.50 2 0 33.55-999 ?-999 ?-999 ? N1A COA A1001 mGLY.A 71 32.75 65.99 2.16 31.85 65.58 2.30 32.28 66.26 -0.14 31.10 65.95 0.08 33.19 66.65 0.96-999.99-999.99-999.99 1 0 36.10-999 ?-999 ?-999 ? N1A COA A1001 mASP~A 72 32.83 66.27 -1.35 33.80 66.52 -1.38 32.05 64.43 -2.68 32.92 63.85 -3.33 32.06 65.95 -2.52 32.64 66.64 -3.74 2 0 36.95-999 ?-999 ?-999 ? N6A COA A1001 mLEU~A 73 31.05 63.79 -2.09 30.41 64.40 -1.62 30.82 61.82 -3.55 31.42 60.80 -3.88 30.93 62.34 -2.12 29.74 61.86 -1.29 3 0 33.70-999 ?-999 ?-999 ? N6A COA A1001 mLYS~A 74 30.07 62.52 -4.40 29.65 63.34 -4.03 31.25 62.05 -6.54 31.53 61.12 -7.31 29.92 62.05 -5.79 28.86 62.85 -6.55 2 0 35.48-999 ?-999 ?-999 ? N6A COA A1001 mALA~A 75 32.07 63.07 -6.31 31.72 63.75 -5.67 34.27 62.02 -6.51 35.00 61.44 -7.31 33.38 63.16 -6.96 34.05 64.49 -6.66 2 0 36.72-999 ?-999 ?-999 ? N6A COA A1001 mVAL~A 76 34.23 61.69 -5.22 33.55 62.17 -4.67 34.73 59.27 -5.18 35.59 58.44 -5.57 35.15 60.67 -4.71 35.35 60.78 -3.17 3 0 33.35-999 ?-999 ?-999 ? N6A COA A1001 mLEU~A 77 33.42 59.02 -5.20 32.86 59.75 -4.79 33.22 57.58 -7.21 33.55 56.47 -7.61 32.87 57.79 -5.75 31.36 57.70 -5.55 3 0 31.71-999 ?-999 ?-999 ? N6A COA A1001 mARG~A 78 33.16 58.65 -8.00 32.78 59.47 -7.57 35.08 58.12 -9.49 35.40 57.28 -10.33 33.63 58.60 -9.39 33.45 59.98 -10.07 2 0 34.64-999 ?-999 ?-999 ? N6A COA A1001 mLYS~A 79 35.96 58.65 -8.64 35.58 59.36 -8.04 37.51 56.74 -8.24 38.35 56.01 -8.82 37.35 58.22 -8.62 38.18 59.14 -7.71 2 0 33.89-999 ?-999 ?-999 ? N6A COA A1001 mLEU~A 80 36.71 56.28 -7.28 36.10 56.97 -6.89 36.22 53.92 -7.93 36.78 52.84 -8.15 36.76 54.87 -6.84 35.99 54.66 -5.53 3 0 30.19-999 ?-999 ?-999 ? N6A COA A1001 mILE~A 81 35.17 54.35 -8.63 34.80 55.23 -8.34 35.68 53.39 -10.84 35.84 52.30 -11.42 34.63 53.55 -9.74 33.30 54.16 -10.30 3 0 31.33-999 ?-999 ?-999 ? N6A COA A1001 mGLU~A 82 36.41 54.47 -11.12 36.16 55.28 -10.60 38.58 53.51 -11.68 39.18 52.81 -12.49 37.47 54.44 -12.12 38.03 55.85 -12.37 2 0 33.79-999 ?-999 ?-999 ? N6A COA A1001 mASP~A 83 38.85 53.48 -10.38 38.31 54.12 -9.82 39.40 51.12 -10.06 40.20 50.29 -10.52 39.85 52.56 -9.84 40.11 52.84 -8.36 2 0 31.12-999 ?-999 ?-999 ? N6A COA A1001 mALA~A 84 38.13 50.83 -9.76 37.61 51.59 -9.39 37.66 49.10 -11.44 38.02 47.98 -11.77 37.58 49.49 -9.95 36.17 49.42 -9.45 2 0 29.10-999 ?-999 ?-999 ? N6A COA A1001 mASP~A 85 37.33 50.04 -12.33 36.98 50.89 -11.92 38.89 49.37 -14.15 39.06 48.40 -14.92 37.47 49.82 -13.79 37.12 51.08 -14.59 2 0 32.48-999 ?-999 ?-999 ? N6A COA A1001 mLYS~A 86 39.88 50.08 -13.61 39.57 50.86 -13.07 41.58 48.31 -13.38 42.31 47.58 -14.07 41.30 49.75 -13.80 42.19 50.72 -12.99 2 0 32.94-999 ?-999 ?-999 ? N6A COA A1001 mGLU~A 87 40.99 47.90 -12.26 40.42 48.59 -11.82 40.37 45.51 -12.48 40.56 44.31 -12.24 41.17 46.57 -11.71 40.80 46.55 -10.23 2 0 29.61-999 ?-999 ?-999 ? N6A COA A1001 mLYS~A 88 39.50 45.98 -13.38 39.51 46.97 -13.44 37.60 44.39 -13.35 37.27 43.22 -13.58 38.62 45.12 -14.20 39.45 44.17 -15.09 2 0 30.80-999 ?-999 ?-999 ? N6A COA A1001 mHIS.A 89 37.11 45.08 -12.32 37.50 46.00 -12.23 34.96 45.54 -11.31 35.17 46.77 -11.46 36.10 44.54 -11.42 36.70 44.25 -10.03 3 0 27.84-999 ?-999 ?-999 ? N6A COA A1001 mASN.A 90 33.76 45.04 -11.04 33.71 44.05 -11.05 32.79 46.58 -9.38 33.28 45.93 -8.44 32.62 45.92 -10.76 31.30 45.14 -10.83 2 0 27.95-999 ?-999 ?-999 ? N6A COA A1001 mPHE.A 91 32.40 47.85 -9.27 31.96 48.22 -10.10 31.58 48.15 -6.98 30.36 48.17 -7.22 32.59 48.62 -8.04 32.46 50.12 -8.31 3 0 27.05-999 ?-999 ?-999 ? N6A COA A1001 mCSS^A 92 32.11 47.74 -5.83 33.11 47.73 -5.82 31.91 47.97 -3.44 33.15 47.95 -3.26 31.31 47.34 -4.68 31.29 45.82 -4.50 2 0 23.78-999 ?-999 ?-999 ? N6A COA A1001 mMET^A 93 31.03 48.50 -2.60 30.09 48.45 -2.92 30.87 48.31 -0.19 29.75 47.78 -0.29 31.43 49.11 -1.32 30.90 50.53 -1.19 2 0 22.47-999 ?-999 ?-999 ? N6A COA A1001 mLEU^A 94 31.65 48.26 0.90 32.52 48.73 0.78 31.05 48.57 3.28 31.40 49.76 3.17 31.28 47.57 2.14 32.37 46.59 2.54 3 0 19.11-999 ?-999 ?-999 ? N6A COA A1001 mGLY^A 95 30.40 48.08 4.36 30.07 47.15 4.23 29.28 50.04 5.44 29.34 51.03 6.20 30.20 48.86 5.60-999.99-999.99-999.99 1 0 18.57-999 ?-999 ?-999 ? N6A COA A1001 mVAL^A 96 28.41 49.96 4.45 28.48 49.13 3.89 26.36 50.77 5.27 25.60 49.79 5.22 27.43 50.99 4.22 26.87 50.90 2.79 3 0 21.84-999 ?-999 ?-999 ? N6A COA A1001 mCYH~A 97 26.32 51.68 6.24 27.03 52.38 6.17 23.96 52.06 6.69 23.89 52.49 5.53 25.30 51.66 7.28 25.69 52.59 8.43 2 0 22.11-999 ?-999 ?-999 ? N6A COA A1001 mSER~A 98 22.90 51.90 7.47 23.10 51.49 8.36 21.54 53.81 6.71 21.00 54.20 5.67 21.57 52.31 7.06 20.57 51.99 8.17 2 0 24.58-999 ?-999 ?-999 ? N6A COA A1001 mASN~A 99 22.17 54.62 7.56 22.52 54.17 8.38 23.16 56.38 6.09 22.79 57.26 5.30 22.30 56.06 7.31 22.86 56.79 8.53 2 0 27.20-999 ?-999 ?-999 ? N6A COA A1001 mMET~A 100 24.29 55.69 5.93 24.48 55.04 6.66 24.47 55.49 3.47 24.68 56.11 2.42 25.16 55.91 4.76 26.51 55.18 4.92 2 0 26.61-999 ?-999 ?-999 ? N6A COA A1001 mARG~A 101 23.63 54.45 3.55 23.62 54.02 4.45 21.86 55.09 1.97 21.65 55.28 0.77 22.82 54.00 2.43 22.05 52.72 2.79 2 0 26.91-999 ?-999 ?-999 ? N6A COA A1001 mALA~A 102 21.28 55.80 2.93 21.53 55.51 3.86 21.09 58.05 1.92 20.54 58.67 1.00 20.37 56.91 2.64 19.72 57.41 3.93 2 0 30.28-999 ?-999 ?-999 ? N6A COA A1001 mASP~A 103 22.33 58.30 2.34 22.62 57.72 3.10 23.47 59.00 0.28 23.39 59.87 -0.59 23.18 59.33 1.74 24.49 59.46 2.53 2 0 31.37-999 ?-999 ?-999 ? N6A COA A1001 mLEU~A 104 23.78 57.73 0.03 23.77 57.15 0.85 22.94 57.33 -2.27 23.12 57.71 -3.43 24.10 57.22 -1.30 24.51 55.76 -1.24 3 0 30.66-999 ?-999 ?-999 ? N6A COA A1001 mGLU~A 105 21.75 56.98 -1.78 21.77 56.73 -0.81 20.09 58.36 -2.93 19.39 58.58 -3.92 20.54 56.95 -2.58 19.44 56.17 -1.84 2 0 32.53-999 ?-999 ?-999 ? N6A COA A1001 mALA~A 106 20.50 59.33 -2.11 21.03 59.00 -1.32 21.04 61.31 -3.50 20.50 61.93 -4.41 20.21 60.74 -2.35 20.41 61.56 -1.07 2 0 35.44-999 ?-999 ?-999 ? N6A COA A1001 mILE~A 107 22.36 61.09 -3.45 22.65 60.54 -2.67 23.25 60.80 -5.77 23.40 61.35 -6.86 23.28 61.63 -4.47 24.75 61.78 -3.93 3 0 36.02-999 ?-999 ?-999 ? N6A COA A1001 mLEU~A 108 23.08 59.48 -5.63 22.95 59.18 -4.69 21.88 57.60 -6.76 22.04 56.40 -6.48 23.09 58.56 -6.78 24.42 57.78 -6.80 3 0 35.01-999 ?-999 ?-999 ? N6A COA A1001 mPRO.A 109 20.66 58.11 -7.04 20.65 59.07 -7.33 19.42 56.14 -7.95 19.75 56.35 -9.13 19.46 57.28 -6.93 18.30 58.27 -7.16 3 0 35.62-999 ?-999 ?-999 ? N6A COA A1001 mGLU.A 110 19.07 54.94 -7.45 18.93 54.96 -6.46 20.19 53.25 -8.99 20.11 52.41 -9.89 18.92 53.72 -8.26 17.73 53.85 -9.23 2 0 34.39-999 ?-999 ?-999 ? N6A COA A1001 mARG.A 111 21.35 53.78 -8.61 21.26 54.48 -7.90 23.22 52.12 -8.51 24.03 51.41 -9.10 22.63 53.35 -9.21 23.67 54.49 -9.20 2 0 33.23-999 ?-999 ?-999 ? N6A COA A1001 mPHE^A 112 22.81 51.86 -7.27 22.09 52.47 -6.93 22.42 49.63 -6.18 21.24 49.89 -5.93 23.40 50.75 -6.51 24.05 51.27 -5.21 3 0 29.48-999 ?-999 ?-999 ? N6A COA A1001 mILE^A 113 22.90 48.39 -6.23 23.78 48.31 -6.70 22.70 47.07 -4.21 23.92 46.94 -4.00 22.19 47.25 -5.64 22.43 45.92 -6.41 3 0 27.42-999 ?-999 ?-999 ? N6A COA A1001 mPHE^A 114 21.78 47.06 -3.24 20.84 47.18 -3.57 21.80 45.50 -1.28 20.64 45.08 -1.36 22.15 46.89 -1.82 21.47 47.94 -0.92 3 0 24.66-999 ?-999 ?-999 ? N6A COA A1001 mTHR^A 115 22.78 44.82 -0.71 23.66 45.28 -0.74 23.10 43.53 1.33 24.01 44.30 1.65 22.56 43.50 -0.10 23.25 42.38 -0.91 2 0 21.54-999 ?-999 ?-999 ? N6A COA A1001 mGLU^A 116 22.55 42.68 2.19 21.89 42.04 1.78 23.00 41.26 4.07 22.31 40.38 3.57 22.89 42.71 3.59 21.80 43.49 4.34 2 0 18.71-999 ?-999 ?-999 ? N6A COA A1001 mASP.A 117 23.90 41.02 5.02 24.46 41.81 5.27 24.11 39.93 7.12 25.08 40.48 7.64 24.04 39.71 5.62 25.29 38.98 5.07 2 0 15.37-999 ?-999 ?-999 ? N6A COA A1001 mARG~A 118 23.06 39.50 7.81 22.36 39.06 7.25 24.13 39.09 10.04 24.44 39.56 11.14 22.92 39.66 9.25 21.60 39.01 9.66 2 0 14.66-999 ?-999 ?-999 ? N6A COA A1001 mALA~A 119 24.82 38.12 9.45 24.44 37.83 8.57 27.09 38.56 10.32 27.91 38.37 11.21 26.03 37.53 10.04 26.58 36.47 9.12 2 0 10.87-999 ?-999 ?-999 ? N6A COA A1001 mTYR~A 120 27.07 39.66 9.56 26.31 39.69 8.92 27.68 41.98 10.41 28.47 42.93 10.48 28.08 40.71 9.67 28.64 41.04 8.28 3 0 11.27-999 ?-999 ?-999 ? N6A COA A1001 mALA~A 121 26.49 41.99 10.97 25.95 41.17 10.81 26.85 43.22 13.05 27.24 42.19 13.58 26.03 43.14 11.77 24.54 42.99 12.10 2 0 13.80-999 ?-999 ?-999 ? N6A COA A1001 mASP^A 122 27.12 44.44 13.53 26.78 45.18 12.94 26.84 44.81 15.93 25.79 45.46 15.79 27.83 44.66 14.79 28.67 45.94 14.78 2 0 13.59-999 ?-999 ?-999 ? N1A COA A1001 mTYR^A 123 27.20 44.24 17.07 28.03 43.68 17.00 27.00 45.61 19.06 28.19 45.64 19.40 26.44 44.40 18.29 26.59 43.14 19.14 3 0 14.45-999 ?-999 ?-999 ? C2A COA A1001 mILE^A 124 26.13 46.58 19.31 25.21 46.39 18.97 25.71 47.92 21.35 24.50 47.70 21.40 26.49 47.82 20.02 26.28 49.06 19.10 3 0 17.28-999 ?-999 ?-999 ? C2A COA A1001 mTYR^A 125 26.45 48.18 22.42 27.40 48.35 22.19 26.27 49.56 24.43 27.19 50.24 23.98 25.93 48.22 23.78 26.62 47.12 24.60 3 0 18.13-999 ?-999 ?-999 ? O2B COA A1001 mLEU^A 126 25.52 49.94 25.46 24.71 49.38 25.60 27.01 50.67 27.22 26.90 49.64 27.89 25.89 51.09 26.28 24.71 51.56 27.13 3 0 21.28-999 ?-999 ?-999 ? O2B COA A1001 mARG~A 127 28.08 51.45 27.27 28.08 52.19 26.60 28.57 51.18 29.67 28.97 50.36 30.49 29.14 51.20 28.25 30.24 52.26 28.13 2 0 21.12-999 ?-999 ?-999 ? O2B COA A1001 mSER~A 128 27.64 52.09 29.95 27.48 52.74 29.20 26.24 50.80 31.60 26.32 50.40 32.77 26.93 52.13 31.22 25.97 53.34 31.29 2 0 23.62-999 ?-999 ?-999 ? O2B COA A1001 mASP~A 129 25.64 50.10 30.64 25.65 50.54 29.74 26.08 47.73 31.24 25.98 47.03 32.24 25.03 48.79 30.90 24.23 48.32 29.69 2 0 21.30-999 ?-999 ?-999 ? O2B COA A1001 mLEU~A 130 27.10 47.62 30.39 27.10 48.30 29.65 29.00 46.80 31.78 29.47 45.83 32.38 28.12 46.57 30.54 28.94 46.43 29.26 3 0 18.33-999 ?-999 ?-999 ? O2B COA A1001 mALA~A 131 29.21 48.07 32.16 28.73 48.75 31.60 29.35 48.23 34.66 30.00 48.07 35.71 30.08 48.39 33.32 30.63 49.82 33.19 2 0 20.73-999 ?-999 ?-999 ? O7A COA A1001 mTHR~A 132 28.02 48.32 34.64 27.62 48.41 33.73 26.36 47.05 36.03 26.04 46.62 37.14 27.25 48.30 35.91 26.34 49.54 36.07 2 0 22.47-999 ?-999 ?-999 ? O7A COA A1001 mLEU~A 133 25.96 46.49 34.90 26.41 46.88 34.09 23.71 45.71 35.68 23.15 44.82 36.32 24.95 45.41 34.83 25.56 44.05 35.17 3 0 20.43-999 ?-999 ?-999 ? O7A COA A1001 mLYS.A 134 23.26 46.96 35.67 23.76 47.56 35.05 20.79 47.04 35.86 20.67 47.07 34.62 22.13 47.38 36.52 22.23 48.88 36.74 2 0 23.98-999 ?-999 ?-999 ? O7A COA A1001 mGLY~A 135 19.80 46.71 36.68 20.08 46.59 37.63 17.98 45.11 35.99 18.81 44.21 35.93 18.42 46.55 36.21-999.99-999.99-999.99 1 0 25.23-999 ?-999 ?-999 ? O7A COA A1001 mLYS~A 136 16.66 44.91 35.86 16.12 45.75 35.90 16.69 42.78 34.51 16.99 41.59 34.65 16.09 43.58 35.67 14.56 43.67 35.51 2 0 24.68-999 ?-999 ?-999 ? O7A COA A1001 mLYS~A 137 16.90 43.44 33.37 16.69 44.41 33.41 18.83 42.19 32.31 19.24 41.33 31.53 17.41 42.73 32.19 17.25 43.57 30.91 2 0 21.84-999 ?-999 ?-999 ? O7A COA A1001 mPHE~A 138 19.58 42.68 33.30 19.12 43.40 33.83 21.07 41.33 34.80 22.19 41.08 35.26 20.94 42.20 33.55 21.93 43.36 33.59 3 0 19.66-999 ?-999 ?-999 ? O7A COA A1001 mGLN~A 139 19.94 40.87 35.36 19.10 41.15 34.89 20.79 38.74 36.39 21.58 38.42 37.28 19.97 40.03 36.55 18.56 39.71 37.06 2 0 20.65-999 ?-999 ?-999 ? O7A COA A1001 mALA~A 140 20.60 38.01 35.29 19.87 38.35 34.69 22.90 37.13 34.93 23.74 36.34 35.40 21.40 36.81 35.01 20.94 36.12 33.73 2 0 17.35-999 ?-999 ?-999 ? O7A COA A1001 mLYS~A 141 23.24 38.27 34.33 22.47 38.81 34.00 25.28 38.96 35.57 26.41 38.55 35.83 24.66 38.65 34.20 24.84 39.83 33.22 2 0 15.69-999 ?-999 ?-999 ? O7A COA A1001 mARG~A 142 24.53 39.64 36.43 23.66 39.96 36.05 25.14 38.59 38.56 26.10 38.44 39.32 24.95 39.89 37.81 23.94 40.78 38.55 2 0 18.65-999 ?-999 ?-999 ? O7A COA A1001 mASN~A 143 24.23 37.64 38.34 23.48 37.92 37.73 25.64 35.59 38.59 26.25 34.96 39.46 24.34 36.31 38.96 23.14 35.44 38.60 2 0 18.22-999 ?-999 ?-999 ? O7A COA A1001 mHIS~A 144 26.05 35.66 37.31 25.44 36.18 36.72 28.51 35.65 37.53 29.44 34.95 37.90 27.29 35.01 36.85 27.49 35.09 35.33 3 0 14.71-999 ?-999 ?-999 ? O7A COA A1001 mILE~A 145 28.49 36.97 37.65 27.67 37.40 37.28 29.70 37.33 39.74 30.80 37.11 40.27 29.59 37.72 38.27 29.34 39.27 38.21 3 0 16.31-999 ?-999 ?-999 ? O7A COA A1001 mASN~A 146 28.54 37.25 40.39 27.73 37.41 39.83 28.93 35.52 42.11 29.67 35.30 43.06 28.47 36.94 41.82 27.05 37.17 42.35 2 0 19.36-999 ?-999 ?-999 ? O7A COA A1001 mARG~A 147 28.52 34.57 41.27 27.87 34.90 40.59 30.50 33.07 41.15 31.18 32.32 41.88 28.98 33.17 41.32 28.28 32.34 40.24 2 0 17.74-999 ?-999 ?-999 ? O7A COA A1001 mPHE~A 148 31.01 33.84 40.19 30.35 34.36 39.66 33.21 34.38 41.19 34.17 33.74 41.62 32.45 33.89 39.95 32.79 34.77 38.75 3 0 16.04-999 ?-999 ?-999 ? O7A COA A1001 mARG~A 149 32.76 35.50 41.75 31.97 35.90 41.28 33.37 35.09 44.10 34.36 34.97 44.83 33.39 36.08 42.94 32.70 37.38 43.34 2 0 19.49-999 ?-999 ?-999 ? O7A COA A1001 mASN~A 150 32.24 34.39 44.26 31.52 34.62 43.60 33.00 32.19 45.13 33.59 31.70 46.10 32.09 33.39 45.32 30.64 32.93 45.38 2 0 21.20-999 ?-999 ?-999 ? O7A COA A1001 mTHR~A 151 33.11 31.72 43.89 32.59 32.23 43.21 35.41 30.91 43.63 36.21 30.14 44.16 33.93 30.55 43.59 33.56 29.93 42.24 2 0 19.18-999 ?-999 ?-999 ? O7A COA A1001 mTYR~A 152 35.74 32.10 43.11 34.96 32.65 42.82 37.35 33.90 43.66 37.64 34.89 42.97 37.13 32.54 42.99 37.52 32.60 41.50 3 0 18.91-999 ?-999 ?-999 ? O8A COA A1001 mPRO.A 153 37.22 33.96 45.00 37.16 33.07 45.45 38.47 36.08 45.62 38.45 37.29 45.88 37.18 35.25 45.72 36.92 34.84 47.18 3 0 22.12-999 ?-999 ?-999 ? O8A COA A1001 mASP.A 154 39.56 35.39 45.29 39.37 34.43 45.10 41.40 36.01 43.72 42.60 36.00 43.42 40.90 35.96 45.20 41.84 35.08 46.00 2 0 22.32-999 ?-999 ?-999 ? O8A COA A1001 mTYR.A 155 40.46 36.09 42.81 39.52 36.01 43.15 41.61 37.62 41.26 41.50 38.52 42.12 40.85 36.29 41.41 39.60 36.22 40.52 3 0 18.91-999 ?-999 ?-999 ? O8A COA A1001 mGLU^A 156 42.38 37.77 40.18 42.39 36.98 39.56 42.93 39.43 38.49 43.23 38.66 37.56 43.12 38.99 39.94 44.62 38.81 40.22 2 0 19.46-999 ?-999 ?-999 ? O8A COA A1001 mTYR^A 157 42.40 40.63 38.31 42.04 41.05 39.15 43.51 42.23 36.86 43.79 43.05 37.76 42.34 41.26 37.00 41.03 42.03 36.85 3 0 18.20-999 ?-999 ?-999 ? O8A COA A1001 mTHR^A 158 44.20 42.15 35.73 43.91 41.40 35.13 45.14 43.62 34.02 44.64 42.91 33.12 45.28 43.07 35.43 46.69 42.43 35.54 2 0 19.60-999 ?-999 ?-999 ? O8A COA A1001 mPRO^A 159 45.60 44.88 33.81 45.86 45.40 34.62 46.72 44.61 31.66 47.63 44.01 32.25 45.67 45.40 32.46 46.15 46.85 32.65 3 0 20.03-999 ?-999 ?-999 ? O8A COA A1001 mILE.A 160 46.56 44.58 30.35 45.70 44.96 30.01 48.79 45.02 29.49 48.62 46.20 29.17 47.62 44.03 29.51 47.15 43.70 28.06 3 0 19.05-999 ?-999 ?-999 ? O8A COA A1001 mTHR~A 161 49.96 44.54 29.92 49.91 43.60 30.26 52.16 44.53 29.03 51.92 43.33 28.74 51.19 45.32 29.90 51.81 45.45 31.31 2 0 22.39-999 ?-999 ?-999 ? O8A COA A1001 mPRO~A 162 53.27 45.18 28.62 53.34 46.14 28.90 54.73 43.15 28.38 54.82 42.19 27.63 54.27 44.47 27.81 55.42 45.50 27.70 3 0 23.47-999 ?-999 ?-999 ? C2A COA A1001 mASP~A 163 54.97 43.07 29.69 54.81 43.91 30.21 54.39 40.72 30.33 54.73 39.55 30.56 55.45 41.82 30.28 55.99 42.03 31.70 2 0 23.64-999 ?-999 ?-999 ? O8A COA A1001 mARG~A 164 53.13 41.09 30.12 53.02 42.07 29.93 51.48 39.74 28.79 50.51 38.97 28.71 52.01 40.15 30.17 50.88 40.71 31.04 2 0 19.96-999 ?-999 ?-999 ? O8A COA A1001 mILE~A 165 52.13 40.22 27.72 52.88 40.84 27.93 51.91 38.33 26.18 51.03 37.64 25.61 51.73 39.82 26.36 52.51 40.62 25.28 3 0 18.77-999 ?-999 ?-999 ? O8A COA A1001 mGLN~A 166 53.05 37.80 26.67 53.65 38.45 27.14 52.23 35.46 27.10 51.87 34.40 26.50 53.32 36.37 26.49 54.73 35.98 26.98 2 0 18.69-999 ?-999 ?-999 ? O8A COA A1001 mGLU~A 167 51.70 35.81 28.27 52.03 36.65 28.69 49.39 34.93 27.99 48.69 33.91 27.88 50.68 34.90 28.82 50.42 35.13 30.32 2 0 16.22-999 ?-999 ?-999 ? O8A COA A1001 mCYH~A 168 49.09 36.07 27.38 49.70 36.83 27.60 48.21 35.24 25.24 47.35 34.49 24.79 47.94 36.15 26.45 47.72 37.58 25.97 2 0 13.71-999 ?-999 ?-999 ? O8A COA A1001 mLEU~A 169 49.43 35.31 24.71 50.04 35.96 25.15 49.68 32.97 23.96 49.25 32.12 23.16 49.78 34.45 23.56 51.19 34.78 23.05 3 0 14.60-999 ?-999 ?-999 ? O8A COA A1001 mASP~A 170 50.08 32.67 25.19 50.40 33.47 25.71 48.60 30.79 25.83 48.32 29.67 25.40 50.05 31.28 25.73 50.76 31.20 27.09 2 0 14.27-999 ?-999 ?-999 ? O8A COA A1001 mLEU~A 171 47.69 31.65 26.33 48.04 32.54 26.62 45.70 31.05 25.02 44.97 30.07 24.78 46.27 31.26 26.43 45.43 32.26 27.23 3 0 10.66-999 ?-999 ?-999 ? O8A COA A1001 mGLU~A 172 46.03 31.95 24.10 46.60 32.71 24.43 46.03 30.44 22.12 45.26 29.76 21.41 45.56 31.80 22.72 45.98 32.99 21.83 2 0 9.95-999 ?-999 ?-999 ? O8A COA A1001 mALA~A 173 47.29 30.07 22.37 47.80 30.72 22.95 47.08 27.62 22.42 46.78 26.66 21.71 47.85 28.81 21.83 49.34 28.71 22.15 2 0 12.23-999 ?-999 ?-999 ? O8A COA A1001 mGLU~A 174 46.71 27.70 23.69 47.00 28.53 24.16 44.55 26.57 23.73 44.05 25.49 23.42 45.94 26.62 24.31 45.84 26.81 25.82 2 0 10.56-999 ?-999 ?-999 ? O8A COA A1001 mTRP~A 175 43.94 27.74 23.57 44.49 28.53 23.85 42.52 27.30 21.60 41.58 26.60 21.21 42.57 27.84 23.04 42.12 29.31 23.08 3 0 -7.09-999 ?-999 ?-999 ? O8A COA A1001s mCSS~A 176 43.54 27.64 20.83 44.24 28.20 21.27 43.87 25.67 19.31 43.43 25.02 18.34 43.60 27.18 19.42 44.62 27.99 18.65 2 0 8.93-999 ?-999 ?-999 ? O4B COA A1001 mLYS~A 177 44.61 25.12 20.28 44.97 25.77 20.95 43.48 22.98 20.51 43.16 22.04 19.79 44.83 23.66 20.31 45.84 23.23 21.40 2 0 11.38-999 ?-999 ?-999 ? O4B COA A1001 mVAL~A 178 42.69 23.46 21.47 43.10 24.23 21.97 40.44 23.08 20.52 39.73 22.15 20.11 41.35 22.92 21.75 40.69 23.64 22.98 3 0 8.64-999 ?-999 ?-999 ? O9A COA A1001 mASN~A 179 40.46 24.27 19.93 41.19 24.88 20.25 39.92 24.30 17.46 39.17 24.51 16.50 39.48 24.65 18.90 39.06 26.12 19.10 2 0 -6.42-999 ?-999 ?-999 ? O4B COA A1001s mASN~A 180 41.10 23.73 17.33 41.59 23.58 18.19 41.74 24.54 15.03 41.28 24.48 13.87 41.63 23.36 16.00 40.81 22.20 15.37 2 0 9.49-999 ?-999 ?-999 ? O4B COA A1001 mCSS.A 181 42.38 25.61 15.49 42.66 25.57 16.45 43.49 26.38 13.39 43.41 27.05 12.36 42.62 26.74 14.59 43.25 27.92 15.32 2 0 9.42-999 ?-999 ?-999 ? O4B COA A1001 mASP.A 182 44.35 25.38 13.52 44.39 24.98 14.44 44.32 24.52 11.15 44.77 24.67 10.01 45.17 24.93 12.36 46.06 23.74 12.74 2 0 12.96-999 ?-999 ?-999 ? N6A COA A1001 mGLN.A 183 43.13 23.96 11.39 42.90 23.85 12.36 40.98 24.34 10.08 40.44 24.33 8.98 42.27 23.54 10.28 41.96 22.05 10.35 2 0 12.31-999 ?-999 ?-999 ? N7A COA A1001 mGLN~A 184 40.51 25.03 11.12 41.07 24.99 11.94 39.63 27.14 10.44 40.35 27.92 11.07 39.26 25.79 11.04 38.61 25.96 12.41 2 0 8.68-999 ?-999 ?-999 ? N7A COA A1001 mGLU~A 185 39.16 27.39 9.22 38.56 26.68 8.86 39.29 29.91 9.30 40.17 30.78 9.37 39.54 28.63 8.51 38.78 28.71 7.18 2 0 8.21-999 ?-999 ?-999 ? N6A COA A1001 mGLY~A 186 38.10 30.02 9.90 37.55 29.19 9.85 38.56 31.62 11.76 39.06 32.72 11.91 37.69 31.28 10.56-999.99-999.99-999.99 1 0 4.53-999 ?-999 ?-999 ? N6A COA A1001 mTHR~A 187 38.79 30.62 12.60 38.45 29.73 12.30 41.01 30.84 13.59 41.77 31.51 14.30 39.48 30.85 13.84 38.87 29.73 14.69 2 0 -4.85-999 ?-999 ?-999 ? N6A COA A1001s mGLY~A 188 41.45 30.12 12.55 40.76 29.50 12.18 43.14 31.67 11.56 44.19 32.24 11.91 42.82 30.26 12.02-999.99-999.99-999.99 1 0 8.37-999 ?-999 ?-999 ? N6A COA A1001 mASN~A 189 42.20 32.28 10.83 41.41 31.71 10.59 42.31 34.59 11.64 43.09 35.54 11.74 42.35 33.67 10.42 41.25 34.04 9.41 2 0 8.04-999 ?-999 ?-999 ? N6A COA A1001 mGLU~A 190 41.40 34.32 12.58 40.80 33.54 12.39 42.68 35.11 14.51 43.14 36.16 14.98 41.34 35.16 13.78 40.26 34.68 14.77 2 0 -5.83-999 ?-999 ?-999 ? N1A COA A1001s mARG~A 191 43.26 33.92 14.62 42.73 33.17 14.22 45.62 34.67 14.65 46.39 35.30 15.38 44.56 33.76 15.28 45.07 32.32 15.23 2 0 8.53-999 ?-999 ?-999 ? C2A COA A1001 mARG~A 192 45.68 34.73 13.32 45.02 34.13 12.85 46.46 37.09 13.05 47.43 37.82 13.33 46.66 35.62 12.64 46.55 35.48 11.11 2 0 11.23-999 ?-999 ?-999 ? N1A COA A1001 mALA~A 193 45.20 37.53 13.10 44.52 36.84 12.86 45.20 39.18 14.95 45.78 40.21 15.30 44.90 38.92 13.47 43.45 39.24 13.15 2 0 10.46-999 ?-999 ?-999 ? N1A COA A1001 mLEU~A 194 44.87 38.21 15.80 44.48 37.40 15.36 46.55 38.47 17.58 46.97 39.31 18.36 45.06 38.38 17.24 44.40 37.17 17.94 3 0 9.90-999 ?-999 ?-999 ? C2A COA A1001 mILE~A 195 47.33 37.60 16.97 46.85 36.99 16.33 49.44 38.85 16.72 50.31 39.42 17.41 48.76 37.56 17.23 49.38 36.28 16.65 3 0 13.05-999 ?-999 ?-999 ? C2A COA A1001 mTYR~A 196 49.06 39.33 15.54 48.41 38.75 15.04 49.29 41.72 16.07 50.15 42.53 16.41 49.60 40.62 15.06 49.02 40.97 13.68 3 0 15.12-999 ?-999 ?-999 ? C2A COA A1001 mALA~A 197 48.04 41.77 16.53 47.44 41.07 16.16 48.45 42.73 18.80 48.88 43.77 19.33 47.64 42.78 17.52 46.16 42.64 17.85 2 0 14.47-999 ?-999 ?-999 ? C2A COA A1001 mLEU~A 198 48.63 41.52 19.33 48.18 40.78 18.84 50.92 41.73 20.34 51.53 42.43 21.16 49.45 41.34 20.57 49.33 39.89 21.10 3 0 15.55-999 ?-999 ?-999 ? C2A COA A1001 mHIS~A 199 51.49 41.27 19.23 50.91 40.70 18.64 53.09 43.15 18.74 54.19 43.66 18.97 52.88 41.62 18.92 53.31 40.98 17.61 3 0 18.43-999 ?-999 ?-999 ? C2A COA A1001 mASN~A 200 52.07 43.84 18.25 51.25 43.29 18.09 51.24 46.11 18.89 50.79 47.19 18.51 52.16 45.27 17.99 51.85 45.49 16.51 2 0 19.60-999 ?-999 ?-999 ? C2A COA A1001 mPHE~A 201 51.01 45.63 20.09 51.64 44.90 20.35 50.03 47.65 21.21 49.04 48.37 21.03 49.94 46.13 20.95 50.03 45.39 22.30 3 0 18.78-999 ?-999 ?-999 ? C2A COA A1001 mGLU~A 202 51.20 48.11 21.62 51.93 47.43 21.66 51.31 50.42 20.75 50.68 51.49 20.78 51.36 49.52 21.96 52.64 49.73 22.76 2 0 22.29-999 ?-999 ?-999 ? C2A COA A1001 mALA~A 203 51.97 50.00 19.66 52.43 49.12 19.76 50.54 51.02 17.91 50.24 52.08 17.38 51.97 50.80 18.43 52.81 50.14 17.35 2 0 23.14-999 ?-999 ?-999 ? C2A COA A1001 mLEU~A 204 49.71 49.99 18.01 50.12 49.18 18.43 47.43 50.98 18.37 46.43 51.50 17.85 48.32 50.07 17.53 47.71 48.69 17.45 3 0 20.22-999 ?-999 ?-999 ? C2A COA A1001 mGLY~A 205 47.78 51.17 19.65 48.63 50.73 19.92 45.91 51.14 21.34 44.92 51.68 21.86 46.93 51.96 20.56-999.99-999.99-999.99 1 0 21.29-999 ?-999 ?-999 ? C2A COA A1001 mLEU.A 206 46.17 49.83 21.47 47.05 49.53 21.09 45.31 49.03 23.64 46.39 49.39 24.18 45.21 48.95 22.12 45.45 47.51 21.70 3 0 18.24-999 ?-999 ?-999 ? C2A COA A1001 mTHR^A 207 44.19 48.75 24.32 43.36 48.71 23.77 43.58 47.18 26.01 42.77 46.72 25.18 44.23 48.51 25.76 43.52 49.61 26.56 2 0 18.77-999 ?-999 ?-999 ? C2A COA A1001 mGLY^A 208 43.91 46.54 27.14 44.56 47.00 27.75 43.33 44.84 28.81 43.86 45.57 29.66 43.31 45.24 27.37-999.99-999.99-999.99 1 0 16.84-999 ?-999 ?-999 ? C2A COA A1001 mGLY^A 209 42.81 43.66 29.07 42.46 43.17 28.27 42.97 41.65 30.47 42.79 40.96 29.42 42.77 43.15 30.47-999.99-999.99-999.99 1 0 16.12-999 ?-999 ?-999 ? O8A COA A1001 mILE^A 210 43.37 41.13 31.63 43.45 41.82 32.35 43.06 39.32 33.19 43.12 40.08 34.16 43.67 39.73 31.84 45.21 39.50 31.90 3 0 14.60-999 ?-999 ?-999 ? O8A COA A1001 mLEU^A 211 42.46 38.14 33.22 42.39 37.70 32.32 42.84 36.36 34.81 43.19 35.52 33.96 41.94 37.54 34.43 40.50 37.08 34.15 3 0 14.03-999 ?-999 ?-999 ? O8A COA A1001 mHIS^A 212 43.24 36.32 36.09 42.98 37.12 36.63 43.17 34.55 37.77 42.53 35.26 38.58 43.98 35.20 36.64 45.29 35.68 37.21 3 0 15.66-999 ?-999 ?-999 ? O8A COA A1001 mVAL^A 213 43.17 33.22 37.79 43.62 32.81 36.99 43.58 31.38 39.31 44.22 30.75 38.47 42.57 32.44 38.88 41.23 31.78 38.44 3 0 16.23-999 ?-999 ?-999 ? O8A COA A1001 mASN.A 214 43.72 31.21 40.63 43.11 31.79 41.18 46.06 30.30 40.54 46.61 29.25 40.24 44.68 30.27 41.20 44.10 28.84 41.20 2 0 19.05-999 ?-999 ?-999 ? O8A COA A1001 mGLY.A 215 46.58 31.51 40.27 45.96 32.27 40.44 48.18 31.57 38.26 49.33 31.68 37.81 47.94 31.68 39.77-999.99-999.99-999.99 1 0 19.68-999 ?-999 ?-999 ? O8A COA A1001 mLYS^A 216 47.13 31.33 37.47 46.26 31.21 37.96 46.28 32.11 35.28 45.17 32.37 35.76 47.29 31.25 36.02 47.22 29.81 35.50 2 0 16.39-999 ?-999 ?-999 ? O8A COA A1001 mILE^A 217 46.69 32.54 34.09 47.63 32.31 33.85 44.62 32.40 32.79 44.81 31.23 32.38 45.79 33.28 33.22 46.52 33.86 31.99 3 0 13.73-999 ?-999 ?-999 ? O8A COA A1001 mVAL^A 218 43.42 32.94 32.90 43.41 33.86 33.30 41.37 33.00 31.43 40.41 32.46 30.91 42.22 32.23 32.45 41.30 31.78 33.64 3 0 10.57-999 ?-999 ?-999 ? O8A COA A1001 mALA^A 219 41.69 34.26 31.18 42.44 34.62 31.74 41.80 36.26 29.78 42.58 36.73 30.61 40.99 35.03 30.14 39.60 35.47 30.62 2 0 9.27-999 ?-999 ?-999 ? O8A COA A1001 mPHE^A 220 41.64 36.76 28.55 41.17 36.15 27.91 41.21 38.75 27.18 40.41 38.05 26.51 42.13 38.11 28.22 43.60 38.10 27.75 3 0 11.00-999 ?-999 ?-999 ? O8A COA A1001 mTHR^A 221 41.32 40.06 27.04 42.03 40.46 27.62 41.21 42.07 25.76 42.03 42.54 26.56 40.47 40.83 26.12 39.08 41.15 26.78 2 0 11.95-999 ?-999 ?-999 ? O8A COA A1001 mPHE^A 222 40.97 42.60 24.55 40.38 42.06 23.95 40.68 44.58 23.14 39.78 43.96 22.50 41.55 43.88 24.18 43.02 43.75 23.74 3 0 13.33-999 ?-999 ?-999 ? C2A COA A1001 mGLY^A 223 40.93 45.88 23.00 41.63 46.24 23.61 40.76 48.10 22.04 41.77 48.38 22.69 40.21 46.70 22.03-999.99-999.99-999.99 1 0 14.29-999 ?-999 ?-999 ? C2A COA A1001 mMET^A 224 40.12 48.96 21.27 39.38 48.57 20.72 39.34 51.20 20.72 38.37 50.66 20.21 40.48 50.38 21.28 41.80 50.61 20.46 2 0 17.54-999 ?-999 ?-999 ? C2A COA A1001 mPRO^A 225 39.46 52.54 20.78 40.29 52.89 21.21 38.17 53.15 18.72 39.13 52.88 17.97 38.38 53.38 20.23 38.90 54.81 20.49 3 0 19.87-999 ?-999 ?-999 ? C2A COA A1001 mILE^A 226 36.90 53.25 18.30 36.24 53.33 19.05 36.24 54.69 16.45 36.71 55.15 15.41 36.51 53.25 16.88 35.26 52.39 16.62 3 0 19.40-999 ?-999 ?-999 ? C2A COA A1001 mASN^A 227 35.46 55.40 17.25 34.99 54.88 17.97 35.26 57.53 18.41 35.47 56.89 19.45 35.32 56.84 17.05 34.15 57.21 16.11 2 0 23.01-999 ?-999 ?-999 ? C2A COA A1001 mHIS.A 228 34.98 58.83 18.41 34.74 59.19 17.51 34.13 59.13 20.76 34.42 59.36 21.89 35.03 59.63 19.63 34.74 61.08 19.32 3 0 25.92-999 ?-999 ?-999 ? C2A COA A1001 mGLU.A 229 33.06 58.44 20.44 32.96 58.31 19.45 31.87 56.37 21.41 30.95 55.90 22.03 32.13 57.90 21.42 30.78 58.62 21.34 2 0 24.76-999 ?-999 ?-999 ? C2A COA A1001 mTHR^A 230 32.70 55.63 20.70 33.45 56.16 20.29 33.86 53.49 20.74 34.85 53.82 20.08 32.52 54.19 20.54 31.95 53.81 19.14 2 0 20.94-999 ?-999 ?-999 ? C2A COA A1001 mPHE^A 231 33.89 52.57 21.69 33.04 52.49 22.20 34.78 50.35 21.39 33.69 49.82 21.62 35.08 51.74 21.94 35.32 51.67 23.44 3 0 18.55-999 ?-999 ?-999 ? C2A COA A1001 mGLY^A 232 35.75 49.72 20.72 36.61 50.23 20.65 36.27 47.37 20.98 37.45 47.54 21.27 35.52 48.40 20.15-999.99-999.99-999.99 1 0 14.86-999 ?-999 ?-999 ? C2A COA A1001 mVAL^A 233 35.59 46.30 21.35 34.61 46.34 21.17 36.51 44.15 20.85 35.56 43.60 20.28 36.25 45.17 21.97 35.39 44.55 23.12 3 0 12.29-999 ?-999 ?-999 ? C2A COA A1001 mHIS^A 234 37.77 43.93 20.52 38.43 44.35 21.14 38.27 41.63 19.60 38.03 40.80 18.72 38.12 43.12 19.32 39.39 43.65 18.63 3 0 9.69-999 ?-999 ?-999 ? C2A COA A1001 mVAL^A 235 38.73 41.30 20.80 38.82 42.07 21.43 38.62 39.70 22.58 38.80 40.58 23.43 39.06 39.91 21.15 40.63 39.66 21.03 3 0 7.77-999 ?-999 ?-999 ? C2A COA A1001 mGLU^A 236 38.04 38.52 22.83 37.76 38.01 22.02 37.99 36.52 24.19 37.29 35.82 23.45 37.83 38.04 24.19 36.42 38.45 24.65 2 0 8.32-999 ?-999 ?-999 ? C2A COA A1001 mLYS^A 237 38.94 36.01 24.98 39.42 36.69 25.53 39.28 34.14 26.47 39.82 34.86 27.32 39.23 34.57 25.04 40.60 34.22 24.43 2 0 5.76-999 ?-999 ?-999 ? O8A COA A1001 mALA^A 238 38.75 32.95 26.75 38.33 32.48 25.97 39.02 30.90 28.06 38.68 30.22 27.08 38.79 32.40 28.09 37.51 32.78 28.88 2 0 5.37-999 ?-999 ?-999 ? O8A COA A1001 mASP.A 239 39.69 30.41 29.11 40.08 31.12 29.70 38.42 28.48 29.69 37.74 28.97 30.61 39.83 28.98 29.38 40.79 28.78 30.57 2 0 6.49-999 ?-999 ?-999 ? O8A COA A1001 mTHR.A 240 37.96 27.51 28.91 38.64 27.10 28.31 36.18 26.32 30.25 35.01 26.30 30.67 36.54 27.10 28.98 36.10 26.38 27.67 2 0 5.51-999 ?-999 ?-999 ? O8A COA A1001 mSER.A 241 37.19 25.71 30.87 38.08 25.80 30.43 36.75 25.89 33.33 36.54 25.40 34.44 36.96 24.98 32.12 38.08 23.98 32.38 2 0 9.32-999 ?-999 ?-999 ? O8A COA A1001 mILE.A 242 36.81 27.21 33.12 37.05 27.46 32.18 35.20 28.86 33.96 35.05 29.71 33.08 36.55 28.18 34.19 37.68 29.24 34.31 3 0 10.06-999 ?-999 ?-999 ? O8A COA A1001 mASP.A 243 34.22 28.48 34.78 34.52 27.79 35.44 32.81 30.49 35.14 33.24 30.83 36.24 32.86 29.01 34.72 31.98 28.17 35.66 2 0 10.35-999 ?-999 ?-999 ? O7A COA A1001 mGLY~A 244 32.29 31.35 34.27 32.04 30.95 33.39 33.24 33.68 34.19 33.19 34.91 34.38 32.10 32.77 34.62-999.99-999.99-999.99 1 0 10.64-999 ?-999 ?-999 ? O7A COA A1001 mALA~A 245 34.28 33.09 33.63 34.22 32.10 33.52 35.08 34.88 32.11 35.54 36.01 32.16 35.42 33.89 33.23 36.62 33.02 32.83 2 0 9.78-999 ?-999 ?-999 ? O8A COA A1001 mTYR~A 246 34.31 34.47 31.11 34.06 33.50 31.13 33.08 36.59 30.66 33.33 37.76 30.32 33.88 35.43 30.06 33.07 34.74 28.95 3 0 -7.88-999 ?-999 ?-999 ? O7A COA A1001s mALA~A 247 32.14 36.28 31.56 32.04 35.30 31.74 32.24 38.31 33.01 32.06 39.54 32.93 31.35 37.35 32.21 30.24 36.76 33.13 2 0 10.91-999 ?-999 ?-999 ? O7A COA A1001 mMET~A 248 33.15 37.76 33.82 33.21 36.76 33.76 34.94 39.51 33.90 35.09 40.70 34.24 33.97 38.61 34.70 34.74 37.80 35.74 2 0 13.44-999 ?-999 ?-999 ? O7A COA A1001 mILE~A 249 35.58 38.96 32.87 35.36 38.01 32.69 35.85 40.90 31.32 36.37 42.02 31.24 36.54 39.78 32.10 37.52 38.97 31.22 3 0 12.58-999 ?-999 ?-999 ? O8A COA A1001 mASN~A 250 34.67 40.59 30.80 34.42 39.63 30.90 33.52 42.74 31.09 33.78 43.90 30.76 33.81 41.56 30.13 32.53 40.83 29.68 2 0 12.95-999 ?-999 ?-999 ? O7A COA A1001 mTYR~A 251 33.00 42.42 32.29 32.84 41.45 32.41 33.93 44.21 33.77 33.87 45.44 33.85 32.70 43.40 33.33 32.08 42.68 34.51 3 0 16.13-999 ?-999 ?-999 ? O7A COA A1001 mGLU~A 252 35.04 43.54 34.09 34.99 42.55 33.97 36.74 45.25 33.48 37.05 46.40 33.76 36.23 44.30 34.56 37.35 43.35 35.02 2 0 17.66-999 ?-999 ?-999 ? O8A COA A1001 mPHE~A 253 36.83 44.76 32.24 36.50 43.83 32.10 36.43 46.75 30.83 36.90 47.85 30.57 37.39 45.60 31.20 37.79 44.76 29.98 3 0 17.19-999 ?-999 ?-999 ? O8A COA A1001 mALA~A 254 35.11 46.51 30.88 34.88 45.56 31.13 34.36 48.75 31.54 34.31 49.92 31.15 34.12 47.57 30.58 32.68 47.04 30.69 2 0 18.54-999 ?-999 ?-999 ? O2B COA A1001 mASN~A 255 34.68 48.42 32.78 34.71 47.44 32.96 36.25 50.26 33.57 36.42 51.35 34.16 34.97 49.45 33.78 34.87 48.85 35.18 2 0 21.68-999 ?-999 ?-999 ? O7A COA A1001 mARG~A 256 37.14 49.72 32.74 36.87 48.82 32.39 38.26 51.26 31.11 39.10 52.13 30.85 38.40 50.39 32.38 39.51 49.36 32.19 2 0 22.14-999 ?-999 ?-999 ? O8A COA A1001 mILE~A 257 37.22 51.02 30.33 36.63 50.27 30.63 36.58 53.24 29.56 35.66 53.40 30.38 36.99 51.82 29.13 35.88 51.16 28.24 3 0 21.60-999 ?-999 ?-999 ? C2A COA A1001 mPRO.A 258 37.29 54.27 29.06 38.01 54.00 28.41 35.56 56.08 29.20 34.93 55.62 28.25 37.02 55.66 29.43 37.97 56.44 28.51 3 0 25.03-999 ?-999 ?-999 ? C2A COA A1001 mGLU.A 259 35.03 56.94 30.07 35.69 57.33 30.70 33.10 57.98 28.81 31.91 57.90 28.50 33.59 57.28 30.07 33.17 58.07 31.33 2 0 26.87-999 ?-999 ?-999 ? C2A COA A1001 mGLN.A 260 33.98 58.65 28.07 34.92 58.64 28.43 33.05 58.34 25.77 32.30 58.71 24.87 33.56 59.33 26.84 34.68 60.21 26.26 2 0 27.38-999 ?-999 ?-999 ? C2A COA A1001 mTYR.A 261 33.46 57.08 25.90 34.11 56.92 26.63 31.63 55.52 25.51 31.58 54.56 26.29 32.95 56.03 24.99 34.01 54.91 24.82 3 0 23.74-999 ?-999 ?-999 ? C2A COA A1001 mILE.A 262 30.56 56.19 25.10 30.80 56.96 24.50 28.79 54.48 24.98 28.01 53.80 25.65 29.18 55.88 25.45 28.22 56.97 24.84 3 0 24.56-999 ?-999 ?-999 ? C2A COA A1001 mTYR^A 263 29.33 54.08 23.82 30.02 54.70 23.45 30.12 51.85 23.18 31.28 52.25 23.06 28.96 52.83 23.17 28.53 53.07 21.73 3 0 21.19-999 ?-999 ?-999 ? C2A COA A1001 mILE^A 264 29.79 50.57 23.30 28.82 50.40 23.47 30.39 48.63 22.03 29.28 48.11 22.01 30.81 49.52 23.19 30.96 48.67 24.47 3 0 17.64-999 ?-999 ?-999 ? C2A COA A1001 mASN^A 265 31.25 48.50 21.02 32.09 49.04 21.13 31.73 46.31 20.08 32.98 46.27 20.09 30.98 47.65 19.87 31.44 48.36 18.58 2 0 15.01-999 ?-999 ?-999 ? C2A COA A1001 mARG.A 266 30.98 45.23 20.27 30.00 45.42 20.25 31.50 43.00 19.22 31.58 41.78 19.30 31.58 43.88 20.47 30.95 43.19 21.70 2 0 11.54-999 ?-999 ?-999 ? C2A COA A1001 mGLU.A 267 31.34 43.64 18.06 31.09 44.60 18.17 30.41 41.99 16.39 29.28 42.12 16.88 31.53 42.99 16.75 32.97 42.42 16.59 2 0 10.20-999 ?-999 ?-999 ? N1A COA A1001 mGLU.A 268 30.72 41.03 15.53 31.70 40.87 15.43 29.44 38.90 15.39 30.30 38.38 16.10 29.66 40.29 14.82 30.05 40.19 13.35 2 0 9.10-999 ?-999 ?-999 ? N1A COA A1001 mASP.A 269 28.29 38.29 15.07 27.63 38.85 14.57 28.46 35.88 14.37 28.49 34.68 14.64 28.07 36.89 15.45 26.64 36.63 15.98 2 0 8.21-999 ?-999 ?-999 ? N6A COA A1001 mLEU.A 270 28.76 36.37 13.15 28.64 37.36 13.09 28.20 34.42 11.65 28.54 33.43 10.97 29.20 35.52 12.02 30.60 34.92 12.31 3 0 -6.70-999 ?-999 ?-999 ? N6A COA A1001s mGLY.A 271 26.95 34.61 12.07 26.79 35.47 12.56 26.05 32.35 12.67 25.36 31.34 12.40 25.92 33.61 11.83-999.99-999.99-999.99 1 0 9.39-999 ?-999 ?-999 ? N7A COA A1001 mILE~A 272 26.92 32.39 13.69 27.42 33.25 13.76 26.09 31.36 15.73 26.04 32.35 16.45 27.13 31.27 14.61 28.56 31.25 15.20 3 0 -5.99-999 ?-999 ?-999 ? O1A COA A1001s mGLU~A 273 25.25 30.34 15.85 25.48 29.56 15.27 24.48 30.64 18.22 23.86 31.48 18.88 24.09 30.36 16.75 23.28 29.06 16.62 2 0 6.56-999 ?-999 ?-999 ? O1A COA A1001 mGLY~A 274 25.55 29.99 18.69 25.96 29.36 18.04 26.48 31.60 20.33 26.13 32.19 21.36 26.05 30.18 20.06-999.99-999.99-999.99 1 0 4.39-999 ?-999 ?-999 ? O1A COA A1001 mLEU~A 275 27.24 32.16 19.40 27.43 31.55 18.62 26.61 34.53 19.43 26.63 35.53 20.14 27.76 33.51 19.48 28.71 33.76 18.32 3 0 5.64-999 ?-999 ?-999 ? O1A COA A1001 mARG~A 276 25.63 34.25 18.58 25.75 33.41 18.06 23.68 35.23 19.74 23.32 36.32 20.16 24.47 35.15 18.43 23.57 34.68 17.30 2 0 8.74-999 ?-999 ?-999 ? O1A COA A1001 mLYS~A 277 23.38 34.07 20.33 23.66 33.25 19.83 23.49 34.73 22.73 22.92 35.49 23.51 22.69 34.05 21.63 22.28 32.63 22.05 2 0 9.56-999 ?-999 ?-999 ? O1A COA A1001 mALA~A 278 24.81 34.49 22.77 25.13 33.82 22.10 25.62 36.70 23.58 25.45 37.41 24.57 25.69 35.16 23.71 27.13 34.65 23.53 2 0 8.60-999 ?-999 ?-999 ? O2B COA A1001 mLYS~A 279 25.75 37.20 22.35 25.82 36.52 21.62 24.39 39.28 22.34 24.30 40.38 22.90 25.78 38.64 22.11 26.36 38.96 20.73 2 0 10.08-999 ?-999 ?-999 ? O2B COA A1001 mLEU~A 280 23.32 38.59 21.94 23.51 37.76 21.42 21.72 39.15 23.78 20.98 40.03 24.24 21.98 39.09 22.26 20.89 38.24 21.59 3 0 13.35-999 ?-999 ?-999 ? O2B COA A1001 mSER~A 281 22.29 38.21 24.53 22.90 37.62 24.01 22.56 39.29 26.77 22.13 39.53 27.90 22.04 38.08 25.99 22.65 36.79 26.58 2 0 13.69-999 ?-999 ?-999 ? O2B COA A1001 mTYR~A 282 23.52 40.03 26.19 23.83 39.69 25.30 23.25 42.50 26.45 23.64 43.62 26.79 24.04 41.24 26.84 25.53 41.42 26.52 3 0 14.36-999 ?-999 ?-999 ? O2B COA A1001 mGLN.A 283 22.14 42.32 25.72 22.07 41.41 25.33 21.66 44.60 24.76 21.69 45.71 25.32 21.14 43.38 25.53 20.59 43.88 26.88 2 0 17.27-999 ?-999 ?-999 ? O2B COA A1001 mPRO.A 284 22.01 44.42 23.47 21.90 43.49 23.11 21.46 46.63 22.48 20.26 46.31 22.39 22.52 45.54 22.69 22.88 44.89 21.35 3 0 17.42-999 ?-999 ?-999 ? O2B COA A1001 mVAL.A 285 21.89 47.88 22.43 22.86 47.99 22.64 20.80 49.07 20.58 19.78 49.56 20.10 21.00 49.00 22.09 21.50 50.38 22.63 3 0 21.04-999 ?-999 ?-999 ? O2B COA A1001 mTHR^A 286 21.78 48.57 19.82 22.51 48.13 20.33 22.37 47.43 17.77 23.40 46.95 18.25 21.74 48.67 18.37 22.57 49.88 17.87 2 0 20.47-999 ?-999 ?-999 ? O2B COA A1001 mILE^A 287 21.73 46.89 16.74 20.79 47.22 16.60 22.66 46.62 14.57 21.74 46.98 13.83 22.38 45.91 15.89 21.53 44.63 15.76 3 0 18.20-999 ?-999 ?-999 ? N1A COA A1001 mLEU^A 288 23.94 46.90 14.35 24.58 46.45 14.98 24.52 46.98 12.00 25.51 46.30 11.81 24.37 47.79 13.28 25.69 48.47 13.67 3 0 18.31-999 ?-999 ?-999 ? N6A COA A1001 mGLU.A 289 23.52 47.04 11.12 22.75 47.61 11.41 24.61 46.92 8.91 24.86 48.13 8.96 23.59 46.31 9.85 22.20 46.29 9.19 2 0 18.08-999 ?-999 ?-999 ? N6A COA A1001 mLYS.A 290 25.19 46.10 8.05 24.89 45.14 8.11 25.81 46.13 5.74 25.63 44.92 5.49 26.20 46.57 7.12 27.57 46.02 7.47 2 0 17.61-999 ?-999 ?-999 ? N6A COA A1001 mTYR^A 291 25.65 47.10 4.85 25.81 48.02 5.20 26.45 46.67 2.55 27.49 47.31 2.76 25.27 46.78 3.48 24.25 47.79 2.92 3 0 19.89-999 ?-999 ?-999 ? N6A COA A1001 mMET^A 292 26.30 45.85 1.53 25.55 45.19 1.62 26.42 46.67 -0.69 25.26 46.34 -0.99 27.19 45.92 0.40 27.66 44.54 -0.06 2 0 20.31-999 ?-999 ?-999 ? N6A COA A1001 mALA^A 293 27.06 47.69 -1.25 27.97 47.85 -0.87 27.33 48.24 -3.57 28.52 48.60 -3.62 26.49 48.50 -2.32 26.52 49.97 -1.95 2 0 24.04-999 ?-999 ?-999 ? N6A COA A1001 mCSS^A 294 26.72 47.60 -4.54 25.78 47.33 -4.33 26.72 48.12 -6.96 25.53 48.20 -7.06 27.36 47.32 -5.81 27.33 45.84 -6.11 2 0 25.57-999 ?-999 ?-999 ? N6A COA A1001 mLEU^A 295 27.56 48.70 -7.78 28.53 48.52 -7.59 26.33 48.62 -9.79 26.79 47.57 -10.11 27.10 49.53 -8.88 28.30 50.08 -9.61 3 0 29.26-999 ?-999 ?-999 ? N6A COA A1001 mLYS.A 296 25.13 49.03 -10.17 24.83 49.86 -9.71 24.88 48.58 -12.54 25.01 49.71 -12.91 24.32 48.32 -11.16 22.90 48.86 -11.12 2 0 31.29-999 ?-999 ?-999 ? N6A COA A1001 mASP.A 297 25.24 47.54 -13.28 24.81 46.68 -12.99 27.27 48.61 -14.11 28.18 48.31 -13.33 26.16 47.63 -14.41 26.76 46.25 -14.75 2 0 33.09-999 ?-999 ?-999 ? N6A COA A1001 mHIS.A 298 27.20 49.77 -14.74 26.35 49.91 -15.26 27.88 52.12 -15.24 27.95 53.14 -14.54 28.25 50.75 -14.69 29.48 50.20 -15.37 3 0 34.34-999 ?-999 ?-999 ? N6A COA A1001 mMET.B 1 63.75 50.61 22.21 64.23 51.28 22.78 63.30 49.96 19.88 63.12 51.11 19.48 63.03 49.62 21.35 61.51 49.64 21.65 2 0 31.35-999 ?-999 ?-999 ? C2A COA A1001 mILE.B 2 63.74 48.99 19.08 63.92 48.12 19.55 62.55 49.47 17.04 61.59 48.72 17.27 63.93 49.19 17.65 64.54 47.94 16.95 3 0 31.65-999 ?-999 ?-999 ? C2A COA A1001 mPRO.B 3 62.44 50.57 16.28 63.28 51.09 16.15 60.89 50.18 14.41 60.84 50.79 13.34 61.15 50.93 15.72 61.30 52.42 15.46 3 0 30.23-999 ?-999 ?-999 ? C2A COA A1001 mPHE.B 4 60.77 48.86 14.51 60.99 48.48 15.40 59.03 48.58 12.78 58.09 48.97 13.52 60.34 48.08 13.36 60.22 46.62 13.75 3 0 28.23-999 ?-999 ?-999 ? C2A COA A1001 mLYS^B 5 58.97 48.62 11.46 59.80 48.27 11.01 57.36 48.04 9.77 58.19 47.37 9.19 57.82 49.12 10.72 58.23 50.33 9.86 2 0 27.07-999 ?-999 ?-999 ? N1A COA A1001 mASP^B 6 56.06 47.91 9.54 55.47 48.52 10.08 56.09 47.34 7.18 56.05 48.51 6.81 55.57 46.94 8.54 54.05 46.94 8.45 2 0 24.60-999 ?-999 ?-999 ? N1A COA A1001 mILE.B 7 56.58 46.37 6.41 56.60 45.47 6.85 55.83 47.01 4.16 54.74 46.42 4.28 57.04 46.66 5.04 57.84 45.46 4.44 3 0 26.85-999 ?-999 ?-999 ? N1A COA A1001 mTHR~B 8 56.01 48.01 3.30 56.90 48.45 3.33 55.51 48.73 1.00 56.72 48.96 0.86 54.94 48.38 2.38 54.13 49.57 2.96 2 0 27.36-999 ?-999 ?-999 ? N1A COA A1001 mLEU~B 9 54.63 48.81 -0.01 53.70 48.51 0.23 55.86 50.58 -1.31 56.79 50.78 -2.10 55.04 49.29 -1.34 53.80 49.54 -2.19 3 0 29.90-999 ?-999 ?-999 ? N1A COA A1001 mALA~B 10 55.49 51.49 -0.41 54.76 51.21 0.21 57.61 52.73 0.14 58.35 53.72 0.07 56.15 52.80 -0.35 55.33 53.76 0.51 2 0 32.01-999 ?-999 ?-999 ? N1A COA A1001 mASP~B 11 58.03 51.57 0.65 57.33 50.85 0.64 60.39 50.89 0.11 61.53 50.58 0.44 59.40 51.39 1.16 59.38 50.46 2.37 2 0 32.67-999 ?-999 ?-999 ? N1A COA A1001 mARG~B 12 59.97 50.87 -1.15 59.04 51.24 -1.28 62.16 51.07 -2.30 63.18 50.41 -2.32 60.78 50.36 -2.23 60.06 50.48 -3.56 2 0 34.79-999 ?-999 ?-999 ? N1A COA A1001 mASP~B 13 62.16 52.40 -2.31 61.25 52.81 -2.22 64.36 52.92 -1.26 65.60 52.78 -1.43 63.42 53.16 -2.44 63.14 54.66 -2.56 2 0 38.15-999 ?-999 ?-999 ? N1A COA A1001 mTHR~B 14 63.79 52.94 -0.06 62.80 53.09 -0.08 65.26 51.41 1.16 66.45 51.30 1.44 64.56 52.78 1.17 63.62 52.90 2.42 2 0 37.22-999 ?-999 ?-999 ? N1A COA A1001 mILE~B 15 64.50 50.38 0.85 63.56 50.62 0.59 66.03 48.80 -0.25 67.15 48.34 0.01 65.02 49.01 0.89 63.88 47.99 0.83 3 0 35.95-999 ?-999 ?-999 ? N1A COA A1001 mTHR~B 16 65.67 49.15 -1.48 64.76 49.57 -1.56 67.87 49.75 -2.51 68.91 49.35 -3.04 66.60 48.89 -2.60 65.94 49.08 -3.98 2 0 38.72-999 ?-999 ?-999 ? N1A COA A1001 mALA~B 17 67.79 50.90 -1.83 66.87 51.15 -1.52 70.07 50.85 -0.87 71.26 50.98 -1.16 69.00 51.71 -1.59 68.67 53.00 -0.81 2 0 41.33-999 ?-999 ?-999 ? N1A COA A1001 mPHE~B 18 69.64 49.94 0.02 68.65 49.93 0.16 70.91 47.84 -0.11 72.08 47.48 -0.22 70.56 49.05 0.74 69.94 48.54 2.05 3 0 40.62-999 ?-999 ?-999 ? N1A COA A1001 mTHR~B 19 69.88 47.19 -0.67 68.99 47.64 -0.60 70.87 46.02 -2.65 71.71 45.19 -2.95 70.13 45.90 -1.33 68.83 45.09 -1.53 2 0 40.01-999 ?-999 ?-999 ? N1A COA A1001 mMET~B 20 70.58 47.05 -3.44 69.97 47.74 -3.05 72.67 47.19 -4.76 73.35 46.52 -5.52 71.14 47.09 -4.80 70.51 48.20 -5.63 2 0 42.81-999 ?-999 ?-999 ? N1A COA A1001 mLYS.B 21 73.21 48.00 -3.85 72.57 48.47 -3.25 75.36 47.04 -3.00 76.59 46.96 -2.97 74.68 48.15 -3.80 75.07 49.52 -3.24 2 0 45.63-999 ?-999 ?-999 ? N1A COA A1001 mSER.B 22 74.57 46.18 -2.35 73.59 46.35 -2.49 75.62 43.95 -2.40 75.37 43.94 -3.59 75.11 45.10 -1.52 74.01 44.58 -0.58 2 0 44.20-999 ?-999 ?-999 ? N1A COA A1001 mASP.B 23 76.36 43.01 -1.80 76.54 43.18 -0.83 75.91 40.64 -2.29 76.28 39.48 -2.58 76.85 41.83 -2.50 78.24 41.46 -1.95 2 0 45.44-999 ?-999 ?-999 ? N1A COA A1001 mARG.B 24 74.72 40.91 -1.77 74.53 41.88 -1.67 72.95 39.44 -2.60 72.38 40.31 -3.27 73.79 39.84 -1.39 72.93 40.32 -0.23 2 0 41.93-999 ?-999 ?-999 ? N1A COA A1001 mARG.B 25 72.92 38.13 -2.87 73.39 37.56 -2.20 71.01 36.75 -3.72 70.35 36.28 -4.63 72.23 37.61 -4.06 73.21 36.84 -4.98 2 0 41.47-999 ?-999 ?-999 ? N1A COA A1001 mASN~B 26 70.72 36.58 -2.43 71.35 37.09 -1.84 68.31 36.26 -2.48 68.03 37.47 -2.38 69.62 35.75 -1.89 69.71 35.92 -0.34 2 0 38.02-999 ?-999 ?-999 ? N1A COA A1001 mCYH~B 27 67.51 35.39 -3.09 67.86 34.45 -3.11 65.26 36.41 -2.62 64.36 37.20 -2.94 66.21 35.84 -3.67 65.50 34.70 -4.44 2 0 35.82-999 ?-999 ?-999 ? N6A COA A1001 mASP~B 28 65.46 36.05 -1.37 66.23 35.42 -1.22 64.76 38.07 -0.05 63.96 38.67 0.66 64.58 36.59 -0.32 64.70 35.76 0.93 2 0 32.90-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 29 65.79 38.67 -0.63 66.40 38.04 -1.11 65.40 40.91 -1.72 65.50 42.13 -1.75 66.02 40.11 -0.55 67.52 40.38 -0.41 3 0 34.73-999 ?-999 ?-999 ? N1A COA A1001 mSER~B 30 64.76 40.23 -2.67 64.88 39.24 -2.64 62.82 41.71 -2.97 62.12 41.18 -2.08 63.94 40.91 -3.67 63.28 39.90 -4.60 2 0 34.66-999 ?-999 ?-999 ? N6A COA A1001 mPHE~B 31 62.67 42.98 -3.34 63.35 43.30 -4.01 60.21 43.16 -3.01 59.38 43.15 -2.09 61.58 43.80 -2.77 61.57 45.21 -3.36 3 0 33.08-999 ?-999 ?-999 ? N6A COA A1001 mSER~B 32 59.98 42.60 -4.20 60.73 42.69 -4.86 58.49 40.71 -3.56 57.39 40.53 -3.01 58.68 41.92 -4.47 58.55 41.49 -5.94 2 0 31.17-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 33 59.53 39.89 -3.39 60.35 40.12 -3.91 59.10 39.16 -1.04 58.23 38.55 -0.38 59.41 38.74 -2.50 60.66 37.86 -2.56 2 0 29.85-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 34 59.78 40.22 -0.57 60.41 40.61 -1.23 58.11 41.20 0.98 57.42 40.82 1.93 59.56 40.71 0.82 60.55 41.83 1.13 3 0 28.73-999 ?-999 ?-999 ? N1A COA A1001 mCYH~B 35 57.62 42.01 0.04 58.25 42.22 -0.71 55.20 41.45 -0.05 54.19 41.44 0.65 56.23 42.53 0.16 55.91 43.69 -0.81 2 0 26.93-999 ?-999 ?-999 ? N6A COA A1001 mSER~B 36 55.43 40.54 -1.00 56.36 40.56 -1.38 54.17 38.54 -0.35 53.09 37.92 -0.31 54.38 39.61 -1.42 54.73 38.95 -2.76 2 0 25.48-999 ?-999 ?-999 ? N6A COA A1001 mTRP~B 37 55.20 38.32 0.49 56.02 38.87 0.34 54.76 37.89 2.94 54.62 37.17 3.94 55.07 37.31 1.57 56.28 36.35 1.57 3 0 23.84-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 38 54.59 39.21 2.98 54.71 39.69 2.11 52.97 39.27 4.87 52.90 39.16 6.08 54.24 39.85 4.24 54.08 41.37 4.01 2 0 22.40-999 ?-999 ?-999 ? N1A COA A1001 mPHE~B 39 51.96 38.90 4.05 52.15 39.04 3.07 50.97 37.10 5.46 50.13 36.75 6.27 50.69 38.33 4.57 49.74 37.87 3.42 3 0 18.91-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 40 52.07 36.38 5.21 52.64 36.77 4.50 53.23 35.39 7.18 53.09 34.67 8.22 52.38 35.13 5.94 53.11 34.11 5.02 3 0 19.12-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 41 54.11 36.40 7.11 54.00 36.99 6.32 55.02 37.86 9.00 55.85 38.10 9.90 55.13 36.57 8.16 56.52 36.54 7.50 3 0 20.76-999 ?-999 ?-999 ? N1A COA A1001 mASP~B 42 54.01 38.69 8.69 53.42 38.35 7.96 55.12 40.76 9.31 55.56 41.33 10.31 53.81 39.98 9.36 53.42 39.75 10.84 2 0 19.87-999 ?-999 ?-999 ? N1A COA A1001 mTHR.B 43 55.74 40.76 8.13 55.16 40.43 7.39 57.31 42.67 8.31 56.50 43.54 7.91 57.12 41.20 7.95 57.51 40.96 6.49 2 0 23.67-999 ?-999 ?-999 ? N1A COA A1001 mGLN^B 44 58.38 42.94 9.06 58.89 42.13 9.35 60.22 44.56 9.09 60.99 43.61 8.86 58.75 44.30 9.42 58.46 44.57 10.91 2 0 25.80-999 ?-999 ?-999 ? N1A COA A1001 mPHE^B 45 60.58 45.83 9.05 59.85 46.49 9.18 62.37 47.41 9.66 61.50 48.18 10.10 61.99 46.18 8.84 62.26 46.40 7.34 3 0 29.56-999 ?-999 ?-999 ? N1A COA A1001 mALA^B 46 63.67 47.59 9.83 64.25 46.84 9.49 65.59 49.02 9.91 66.21 48.11 9.35 64.21 48.78 10.46 64.27 48.63 11.96 2 0 32.32-999 ?-999 ?-999 ? N1A COA A1001 mVAL^B 47 66.04 50.27 10.00 65.36 50.94 10.28 68.07 50.90 11.05 67.57 51.77 11.77 67.44 50.58 9.71 67.56 51.77 8.73 3 0 36.09-999 ?-999 ?-999 ? N1A COA A1001 mILE^B 48 69.11 50.13 11.40 69.43 49.54 10.65 71.26 50.24 12.51 71.84 49.41 11.81 69.75 50.13 12.72 69.47 48.80 13.49 3 0 37.51-999 ?-999 ?-999 ? C2A COA A1001 mASP.B 49 71.92 51.24 13.09 71.34 51.85 13.63 73.84 51.15 11.46 74.75 50.35 11.23 73.38 51.40 12.91 74.16 50.46 13.87 2 0 41.29-999 ?-999 ?-999 ? C2A COA A1001 mASP.B 50 73.17 51.79 10.50 72.42 52.35 10.85 73.29 50.26 8.43 73.86 49.94 7.37 73.49 51.67 9.05 74.88 52.23 8.76 2 0 42.01-999 ?-999 ?-999 ? N1A COA A1001 mPHE^B 51 72.50 49.44 9.09 72.19 49.77 9.98 70.62 48.10 8.32 69.88 48.64 9.12 72.12 48.15 8.53 72.47 46.99 9.47 3 0 39.48-999 ?-999 ?-999 ? N1A COA A1001 mLEU^B 52 70.20 47.46 7.25 70.93 47.18 6.63 68.49 45.80 7.61 69.17 44.84 7.27 68.77 47.19 7.02 68.47 47.22 5.52 3 0 36.42-999 ?-999 ?-999 ? N1A COA A1001 mVAL^B 53 67.47 45.69 8.47 66.96 46.54 8.63 65.71 44.09 8.94 64.86 44.98 9.08 67.18 44.41 9.11 67.54 44.39 10.65 3 0 33.56-999 ?-999 ?-999 ? N1A COA A1001 mPHE^B 54 65.42 42.83 8.63 66.23 42.26 8.48 63.70 41.44 9.71 64.57 40.72 10.23 64.03 42.35 8.53 63.78 41.62 7.21 3 0 30.14-999 ?-999 ?-999 ? N1A COA A1001 mLYS^B 55 62.43 41.47 10.11 61.87 42.11 9.58 60.63 39.93 10.73 59.71 40.54 10.11 61.89 40.68 11.22 61.58 41.61 12.40 2 0 27.12-999 ?-999 ?-999 ? N1A COA A1001 mPHE^B 56 60.62 38.62 10.95 61.42 38.31 11.47 59.00 36.85 11.61 59.77 36.38 12.47 59.56 37.71 10.48 60.13 36.68 9.49 3 0 24.42-999 ?-999 ?-999 ? N1A COA A1001 mTRP^B 57 57.69 36.61 11.57 57.21 37.15 10.88 56.51 34.49 11.61 55.67 34.65 10.73 57.03 35.65 12.46 55.86 36.31 13.19 3 0 21.34-999 ?-999 ?-999 ? N1A COA A1001 mALA^B 58 56.96 33.30 11.91 57.67 33.27 12.61 55.82 31.23 12.28 56.57 30.45 12.86 56.37 32.14 11.22 57.44 31.44 10.40 2 0 20.92-999 ?-999 ?-999 ? N1A COA A1001 mGLY.B 59 54.53 31.39 12.59 54.03 31.97 11.95 54.67 31.09 15.00 54.98 32.26 15.26 53.90 30.76 13.74-999.99-999.99-999.99 1 0 18.25-999 ?-999 ?-999 ? C2A COA A1001 mGLU.B 60 55.04 30.05 15.72 54.73 29.18 15.33 57.24 30.69 16.79 57.87 31.06 17.78 55.83 30.13 16.95 55.95 28.75 17.59 2 0 19.93-999 ?-999 ?-999 ? C2A COA A1001 mGLN^B 61 57.75 30.75 15.55 57.09 30.56 14.82 59.35 32.52 14.93 58.68 33.01 14.00 59.15 31.05 15.32 59.72 30.14 14.23 2 0 23.15-999 ?-999 ?-999 ? C2A COA A1001 mLEU^B 62 60.25 33.19 15.65 60.59 32.68 16.43 62.06 34.39 14.63 62.94 33.63 15.09 60.71 34.54 15.32 60.90 35.37 16.59 3 0 24.54-999 ?-999 ?-999 ? C2A COA A1001 mALA^B 63 62.23 35.12 13.53 61.43 35.64 13.23 63.84 36.49 12.27 62.92 37.25 11.94 63.54 35.12 12.85 63.59 34.03 11.76 2 0 27.66-999 ?-999 ?-999 ? C2A COA A1001 mTYR^B 64 65.12 36.79 12.14 65.73 36.09 12.48 66.40 37.70 10.32 67.13 36.69 10.31 65.57 38.04 11.54 66.42 38.85 12.55 3 0 30.13-999 ?-999 ?-999 ? N1A COA A1001 mMET^B 65 66.30 38.52 9.27 65.57 39.20 9.33 68.65 38.83 8.54 68.82 39.81 9.27 67.24 38.38 8.15 66.78 39.22 6.95 2 0 32.44-999 ?-999 ?-999 ? N1A COA A1001 mMET.B 66 69.68 38.15 8.00 69.42 37.31 7.51 71.08 40.11 7.75 70.63 40.47 6.65 71.06 38.62 8.14 72.04 37.82 7.27 2 0 36.17-999 ?-999 ?-999 ? N1A COA A1001 mPRO.B 67 71.56 40.99 8.66 71.86 40.58 9.53 72.31 42.76 7.03 73.33 42.14 6.68 71.61 42.42 8.35 72.40 43.00 9.53 3 0 37.34-999 ?-999 ?-999 ? N1A COA A1001 mVAL^B 68 71.74 43.70 6.28 70.89 44.07 6.67 72.94 45.52 5.24 72.28 46.44 5.70 72.31 44.15 5.01 71.22 44.27 3.88 3 0 39.22-999 ?-999 ?-999 ? N1A COA A1001 mGLY^B 69 74.22 45.64 4.88 74.63 44.80 4.53 76.37 46.71 5.46 76.86 45.59 5.58 74.93 46.90 4.99-999.99-999.99-999.99 1 0 42.42-999 ?-999 ?-999 ? N1A COA A1001 mASN.B 70 77.03 47.83 5.69 76.51 48.66 5.49 78.38 48.66 7.48 77.44 49.42 7.73 78.41 47.83 6.20 79.38 48.40 5.14 2 0 45.63-999 ?-999 ?-999 ? N1A COA A1001 mGLY.B 71 79.37 48.50 8.32 80.13 47.94 8.00 79.41 48.16 10.76 79.90 47.06 10.55 79.27 49.16 9.64-999.99-999.99-999.99 1 0 46.27-999 ?-999 ?-999 ? N1A COA A1001 mASP~B 72 78.98 48.55 11.96 78.40 49.37 11.96 78.40 46.63 13.40 77.40 46.75 14.07 79.34 47.82 13.17 79.33 48.76 14.39 2 0 45.47-999 ?-999 ?-999 ? C2A COA A1001 mLEU~B 73 78.78 45.47 12.87 79.67 45.47 12.41 77.67 43.89 14.44 76.55 43.55 14.81 77.91 44.30 12.97 78.47 43.14 12.16 3 0 43.15-999 ?-999 ?-999 ? C2A COA A1001 mLYS~B 74 78.71 43.96 15.27 79.56 44.26 14.84 77.46 44.43 17.37 76.68 43.90 18.15 78.57 43.62 16.69 79.89 43.88 17.44 2 0 43.43-999 ?-999 ?-999 ? C2A COA A1001 mALA~B 75 77.44 45.72 17.07 78.12 46.00 16.40 75.04 46.29 17.28 74.12 46.31 18.13 76.48 46.64 17.69 76.82 48.09 17.32 2 0 42.22-999 ?-999 ?-999 ? C2A COA A1001 mVAL~B 76 74.86 46.00 16.00 75.69 46.05 15.44 73.07 44.31 16.07 71.90 44.16 16.48 73.53 45.64 15.48 73.47 45.63 13.94 3 0 39.13-999 ?-999 ?-999 ? C2A COA A1001 mLEU~B 77 73.99 43.34 16.14 74.88 43.57 15.75 73.20 42.22 18.20 72.23 41.58 18.60 73.65 42.06 16.76 74.81 41.07 16.69 3 0 38.30-999 ?-999 ?-999 ? C2A COA A1001 mARG~B 78 73.89 43.07 18.98 74.67 43.50 18.54 72.02 43.79 20.41 71.21 43.31 21.21 73.47 43.33 20.38 74.35 44.36 21.11 2 0 38.54-999 ?-999 ?-999 ? C2A COA A1001 mLYS~B 79 71.68 44.72 19.52 72.41 44.97 18.88 69.28 44.25 19.09 68.17 44.20 19.65 70.33 45.29 19.51 70.27 46.51 18.61 2 0 36.02-999 ?-999 ?-999 ? C2A COA A1001 mLEU~B 80 69.63 43.41 18.11 70.54 43.57 17.74 68.50 41.28 18.75 67.39 40.80 18.95 68.69 42.36 17.66 69.15 41.74 16.35 3 0 33.54-999 ?-999 ?-999 ? C2A COA A1001 mILE~B 81 69.58 40.94 19.46 70.43 41.39 19.19 68.52 40.55 21.66 67.60 39.86 22.15 69.45 39.97 20.56 70.85 39.55 21.11 3 0 33.93-999 ?-999 ?-999 ? C2A COA A1001 mGLU~B 82 68.73 41.81 22.00 69.52 42.24 21.56 66.40 42.51 22.48 65.46 42.37 23.28 67.85 42.49 22.95 68.36 43.91 23.24 2 0 33.27-999 ?-999 ?-999 ? C2A COA A1001 mASP~B 83 66.21 42.67 21.17 67.05 42.79 20.64 64.21 41.27 20.74 63.06 41.15 21.19 64.85 42.65 20.59 64.86 43.09 19.12 2 0 30.12-999 ?-999 ?-999 ? C2A COA A1001 mALA~B 84 64.97 40.22 20.42 65.87 40.45 20.05 64.14 38.57 22.09 63.11 37.96 22.41 64.50 38.84 20.60 65.54 37.84 20.08 2 0 28.89-999 ?-999 ?-999 ? C2A COA A1001 mASP~B 85 64.99 39.08 22.99 65.77 39.55 22.58 63.46 39.57 24.84 62.71 39.00 25.63 64.79 38.93 24.44 65.91 39.62 25.22 2 0 29.88-999 ?-999 ?-999 ? C2A COA A1001 mLYS~B 86 63.18 40.74 24.28 63.90 41.08 23.67 60.75 40.61 24.06 59.68 40.60 24.69 61.94 41.45 24.54 61.97 42.83 23.85 2 0 27.78-999 ?-999 ?-999 ? C2A COA A1001 mGLU~B 87 60.93 39.93 22.93 61.82 40.08 22.49 59.84 37.69 23.10 58.97 36.85 22.78 59.89 39.06 22.38 60.15 38.81 20.88 2 0 24.76-999 ?-999 ?-999 ? C2A COA A1001 mLYS.B 88 60.77 37.48 24.03 61.39 38.26 24.16 61.13 35.01 23.86 60.58 33.92 24.08 60.88 36.22 24.78 59.66 36.04 25.70 2 0 25.75-999 ?-999 ?-999 ? O8A COA A1001 mHIS.B 89 61.98 35.22 22.86 62.32 36.16 22.81 63.90 34.10 21.81 64.59 35.10 22.01 62.38 34.16 21.92 61.81 34.41 20.52 3 0 26.56-999 ?-999 ?-999 ? C2A COA A1001 mASN.B 90 64.42 32.92 21.50 63.78 32.15 21.50 66.12 33.62 19.92 65.22 33.78 19.08 65.84 32.82 21.20 66.25 31.36 21.05 2 0 29.88-999 ?-999 ?-999 ? C2A COA A1001 mPHE.B 91 67.34 34.15 19.80 67.96 33.96 20.56 68.14 34.01 17.47 69.12 33.23 17.64 67.69 34.93 18.61 68.79 35.93 18.95 3 0 31.49-999 ?-999 ?-999 ? C2A COA A1001 mCSS^B 92 67.48 34.12 16.31 66.73 34.79 16.34 67.81 34.23 13.87 66.89 35.03 13.68 67.81 33.33 15.10 66.83 32.17 14.86 2 0 31.63-999 ?-999 ?-999 ? C2A COA A1001 mMET^B 93 68.84 34.09 13.05 69.53 33.46 13.37 68.81 33.87 10.62 69.33 32.74 10.68 68.91 34.83 11.78 70.23 35.59 11.68 2 0 33.11-999 ?-999 ?-999 ? C2A COA A1001 mLEU^B 94 68.12 34.30 9.56 67.71 35.20 9.70 68.78 34.12 7.21 69.23 35.28 7.29 67.98 33.51 8.33 66.52 33.53 7.85 3 0 32.81-999 ?-999 ?-999 ? N1A COA A1001 mGLY^B 95 68.94 33.36 6.13 68.61 32.42 6.23 71.04 34.19 5.08 71.58 35.09 4.43 69.56 33.89 4.92-999.99-999.99-999.99 1 0 35.26-999 ?-999 ?-999 ? N1A COA A1001 mVAL^B 96 71.70 33.44 5.94 71.16 32.75 6.42 73.90 32.91 5.08 73.95 31.69 5.07 73.11 33.65 6.16 73.49 33.19 7.59 3 0 38.31-999 ?-999 ?-999 ? N1A COA A1001 mCYH~B 97 74.53 33.66 4.18 74.39 34.64 4.26 76.71 32.64 3.79 77.00 33.03 4.93 75.37 33.00 3.17 75.56 33.89 1.94 2 0 41.33-999 ?-999 ?-999 ? N1A COA A1001 mSER~B 98 77.51 31.87 3.05 77.15 31.68 2.14 79.70 32.46 4.09 80.31 32.29 5.15 78.79 31.37 3.55 79.50 30.55 2.48 2 0 44.55-999 ?-999 ?-999 ? N1A COA A1001 mASN~B 99 79.78 33.59 3.39 79.25 33.58 2.54 80.05 35.35 5.14 80.83 35.72 6.02 80.57 34.74 3.85 80.63 35.83 2.77 2 0 46.13-999 ?-999 ?-999 ? N1A COA A1001 mMET~B 100 78.73 35.46 5.24 78.24 35.18 4.41 78.35 35.03 7.64 78.59 35.51 8.75 78.05 35.95 6.44 76.54 36.04 6.20 2 0 43.10-999 ?-999 ?-999 ? N1A COA A1001 mARG~B 101 78.35 33.72 7.41 78.16 33.46 6.46 79.99 33.05 9.11 80.14 33.12 10.34 78.60 32.77 8.48 78.49 31.34 7.97 2 0 43.21-999 ?-999 ?-999 ? N1A COA A1001 mALA~B 102 80.98 33.27 8.25 80.71 33.20 7.29 82.38 34.88 9.51 83.11 34.96 10.51 82.33 33.58 8.69 83.27 33.67 7.50 2 0 46.84-999 ?-999 ?-999 ? N1A COA A1001 mASP~B 103 81.61 35.88 9.08 81.09 35.67 8.26 80.95 37.04 11.18 81.46 37.65 12.13 81.54 37.17 9.78 80.75 38.21 8.97 2 0 46.01-999 ?-999 ?-999 ? C2A COA A1001 mLEU~B 104 79.88 36.26 11.30 79.55 35.89 10.43 80.20 35.25 13.55 80.34 35.62 14.73 79.26 36.00 12.61 77.95 35.22 12.44 3 0 43.30-999 ?-999 ?-999 ? C2A COA A1001 mGLU~B 105 80.86 34.21 13.04 80.66 34.03 12.07 82.91 34.28 14.38 83.44 34.02 15.47 81.78 33.41 13.85 82.34 32.20 13.07 2 0 45.65-999 ?-999 ?-999 ? C2A COA A1001 mALA~B 106 83.27 35.32 13.63 82.72 35.44 12.80 84.01 37.13 15.16 84.86 37.51 15.96 84.39 36.20 14.01 84.89 37.00 12.82 2 0 48.30-999 ?-999 ?-999 ? C2A COA A1001 mILE~B 107 82.72 37.45 15.27 82.13 37.02 14.58 81.93 37.60 17.58 82.26 38.04 18.69 82.24 38.35 16.31 80.94 39.06 15.88 3 0 46.21-999 ?-999 ?-999 ? C2A COA A1001 mLEU~B 108 81.26 36.47 17.43 81.09 36.19 16.48 81.24 34.26 18.34 80.39 33.41 18.04 80.83 35.71 18.58 79.30 35.83 18.77 3 0 44.64-999 ?-999 ?-999 ? C2A COA A1001 mPRO.B 109 82.55 33.98 18.46 83.14 34.75 18.70 82.27 31.64 19.09 82.00 31.92 20.27 83.04 32.62 18.24 84.52 32.70 18.68 3 0 46.82-999 ?-999 ?-999 ? C2A COA A1001 mGLU.B 110 81.87 30.51 18.49 82.08 30.50 17.51 79.80 29.69 19.74 79.18 28.83 20.38 81.21 29.40 19.19 82.11 28.84 20.29 2 0 45.22-999 ?-999 ?-999 ? C2A COA A1001 mARG.B 111 79.30 30.89 19.49 79.87 31.46 18.90 76.84 30.89 19.18 75.73 30.73 19.68 78.03 31.30 20.06 78.01 32.82 20.26 2 0 41.95-999 ?-999 ?-999 ? C2A COA A1001 mPHE^B 112 77.07 30.75 17.88 78.02 30.88 17.60 75.99 28.96 16.58 77.07 28.37 16.39 75.96 30.42 16.96 75.96 31.29 15.69 3 0 39.85-999 ?-999 ?-999 ? C2A COA A1001 mILE^B 113 74.80 28.37 16.50 74.05 28.89 16.92 74.09 27.38 14.43 73.08 28.06 14.26 74.60 27.09 15.85 73.51 26.26 16.57 3 0 38.96-999 ?-999 ?-999 ? C2A COA A1001 mPHE^B 114 74.80 26.84 13.44 75.56 26.27 13.75 73.86 25.81 11.44 74.43 24.70 11.52 74.51 27.06 12.04 75.78 27.42 11.27 3 0 39.19-999 ?-999 ?-999 ? C2A COA A1001 mTHR^B 115 72.67 25.98 10.87 72.32 26.91 10.90 71.65 25.17 8.80 71.38 26.31 8.48 71.98 24.83 10.26 70.69 24.44 11.02 2 0 37.48-999 ?-999 ?-999 ? N1A COA A1001 mGLU^B 116 71.70 24.18 7.92 71.88 23.28 8.32 70.63 23.31 5.96 70.71 22.17 6.40 71.51 24.42 6.50 72.87 24.47 5.80 2 0 37.88-999 ?-999 ?-999 ? N1A COA A1001 mASP.B 117 69.78 23.66 5.00 69.80 24.63 4.77 69.00 22.97 2.89 68.67 24.07 2.42 68.89 22.69 4.37 67.45 22.85 4.89 2 0 36.55-999 ?-999 ?-999 ? N1A COA A1001 mARG~B 118 69.53 22.01 2.16 69.74 21.18 2.67 68.48 22.47 -0.08 68.55 23.01 -1.18 69.78 22.18 0.74 70.59 21.00 0.24 2 0 38.60-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 119 67.32 22.13 0.50 67.44 21.64 1.36 65.85 23.97 -0.27 65.05 24.43 -1.09 66.01 22.46 -0.09 64.88 21.94 0.81 2 0 35.49-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 120 66.59 24.74 0.53 67.25 24.25 1.10 67.53 26.97 -0.17 67.48 28.20 -0.20 66.41 26.19 0.54 66.23 26.70 1.95 3 0 34.69-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 121 68.51 26.27 -0.72 68.48 25.28 -0.53 68.96 27.53 -2.81 68.08 26.93 -3.43 69.54 26.94 -1.52 70.66 25.96 -1.87 2 0 38.18-999 ?-999 ?-999 ? N6A COA A1001 mASP^B 122 69.49 28.69 -3.23 70.15 29.09 -2.60 69.96 28.81 -5.68 71.16 28.65 -5.52 69.10 29.28 -4.52 69.28 30.80 -4.48 2 0 38.82-999 ?-999 ?-999 ? N6A COA A1001 mTYR^B 123 69.34 28.67 -6.85 68.35 28.79 -6.81 70.38 29.64 -8.81 69.46 30.40 -9.18 70.07 28.36 -8.07 69.20 27.48 -8.98 3 0 41.53-999 ?-999 ?-999 ? N6A COA A1001 mILE^B 124 71.67 29.87 -9.03 72.27 29.16 -8.67 72.79 30.66 -11.05 73.63 29.73 -11.06 72.15 31.07 -9.72 73.24 31.82 -8.90 3 0 43.95-999 ?-999 ?-999 ? N6A COA A1001 mTYR^B 125 72.40 31.35 -12.12 71.75 32.08 -11.91 73.50 32.33 -14.07 73.18 33.44 -13.63 72.90 31.07 -13.47 71.74 30.65 -14.37 3 0 46.68-999 ?-999 ?-999 ? N6A COA A1001 mLEU^B 126 74.33 32.16 -15.10 74.63 31.22 -15.26 73.59 33.73 -16.82 73.03 32.88 -17.52 74.75 33.31 -15.90 75.98 32.97 -16.78 3 0 49.57-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 127 73.25 35.02 -16.81 73.69 35.57 -16.10 72.71 35.17 -19.21 71.86 34.80 -20.04 72.29 35.54 -17.78 72.19 37.05 -17.63 2 0 48.89-999 ?-999 ?-999 ? N6A COA A1001 mSER~B 128 74.01 35.26 -19.49 74.59 35.53 -18.72 74.21 33.51 -21.23 73.87 33.25 -22.41 74.51 34.97 -20.83 76.01 35.28 -20.92 2 0 52.54-999 ?-999 ?-999 ? N6A COA A1001 mASP~B 129 74.31 32.58 -20.27 74.67 32.92 -19.40 72.40 31.04 -20.84 72.03 30.41 -21.84 73.90 31.18 -20.52 74.25 30.27 -19.33 2 0 51.87-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 130 71.55 31.61 -20.01 71.96 32.17 -19.29 69.57 32.18 -21.40 68.61 31.75 -22.02 70.11 31.42 -20.19 69.31 31.74 -18.91 3 0 48.86-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 131 70.23 33.29 -21.76 71.05 33.47 -21.22 70.21 33.62 -24.21 69.59 33.91 -25.24 69.74 34.15 -22.85 70.23 35.59 -22.67 2 0 50.49-999 ?-999 ?-999 ? N6A COA A1001 mTHR~B 132 71.32 32.89 -24.22 71.70 32.70 -23.32 71.76 30.93 -25.70 71.66 30.45 -26.83 71.89 32.43 -25.50 73.37 32.83 -25.68 2 0 53.88-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 133 71.78 30.19 -24.59 71.76 30.73 -23.75 73.01 28.21 -25.45 72.91 27.19 -26.12 71.82 28.73 -24.60 70.45 28.15 -25.01 3 0 53.35-999 ?-999 ?-999 ? N6A COA A1001 mLYS.B 134 74.13 28.92 -25.41 74.11 29.73 -24.82 76.04 27.37 -25.53 76.05 27.26 -24.29 75.28 28.50 -26.21 76.22 29.67 -26.49 2 0 56.92-999 ?-999 ?-999 ? N6A COA A1001 mGLY~B 135 76.68 26.52 -26.33 76.48 26.63 -27.30 76.98 24.16 -25.54 75.76 24.00 -25.47 77.59 25.52 -25.77-999.99-999.99-999.99 1 0 58.58-999 ?-999 ?-999 ? N6A COA A1001 mLYS~B 136 77.84 23.15 -25.44 78.80 23.42 -25.52 76.46 21.60 -24.02 75.46 20.86 -24.08 77.39 21.77 -25.24 78.61 20.86 -25.13 2 0 58.68-999 ?-999 ?-999 ? N6A COA A1001 mLYS~B 137 76.80 22.27 -22.91 77.64 22.80 -22.98 74.50 22.53 -21.97 73.61 22.00 -21.28 75.97 22.20 -21.70 76.50 23.13 -20.62 2 0 55.23-999 ?-999 ?-999 ? N6A COA A1001 mPHE~B 138 74.25 23.38 -22.97 75.05 23.67 -23.48 72.28 23.21 -24.51 71.22 23.65 -24.98 72.88 23.83 -23.26 72.79 25.36 -23.24 3 0 53.74-999 ?-999 ?-999 ? N6A COA A1001 mGLN~B 139 72.95 22.17 -25.04 73.76 21.88 -24.54 71.01 21.07 -26.20 70.24 21.26 -27.16 72.46 21.56 -26.28 73.35 20.42 -26.76 2 0 56.01-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 140 70.65 20.40 -25.09 71.37 20.28 -24.41 68.31 21.08 -24.83 67.20 21.04 -25.38 69.28 19.92 -24.95 69.16 18.99 -23.74 2 0 53.35-999 ?-999 ?-999 ? N6A COA A1001 mLYS~B 141 68.72 22.15 -24.14 69.63 22.08 -23.74 67.55 23.92 -25.41 66.40 24.25 -25.71 67.82 23.31 -24.03 68.37 24.35 -23.06 2 0 50.99-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 142 68.58 24.01 -26.25 69.45 23.73 -25.85 67.48 23.62 -28.41 66.63 24.10 -29.18 68.42 24.51 -27.63 69.78 24.56 -28.35 2 0 53.89-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 143 67.62 22.31 -28.22 68.38 22.05 -27.62 65.25 21.55 -28.43 64.35 21.53 -29.28 66.72 21.35 -28.85 67.20 19.92 -28.63 2 0 54.40-999 ?-999 ?-999 ? N6A COA A1001 mHIS~B 144 65.02 21.78 -27.13 65.84 21.74 -26.56 63.04 23.32 -27.31 61.88 23.28 -27.73 63.67 22.07 -26.64 63.63 22.22 -25.11 3 0 -50.76-999 ?-999 ?-999 ? N6A COA A1001s mILE~B 145 63.79 24.41 -27.37 64.71 24.32 -27.00 63.05 25.50 -29.47 62.06 25.96 -30.04 63.24 25.65 -27.96 63.99 26.96 -27.53 3 0 50.94-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 146 63.98 24.82 -30.13 64.75 24.52 -29.58 62.61 23.68 -31.84 61.87 23.92 -32.78 63.84 24.56 -31.56 65.14 23.97 -32.11 2 0 54.41-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 147 62.37 22.70 -30.96 63.06 22.62 -30.25 59.90 22.65 -30.84 58.92 22.48 -31.57 61.18 21.85 -31.06 61.26 20.70 -30.06 2 0 53.13-999 ?-999 ?-999 ? N6A COA A1001 mPHE~B 148 59.92 23.55 -29.85 60.76 23.55 -29.31 58.51 25.32 -30.85 57.35 25.47 -31.25 58.79 24.45 -29.62 59.05 25.36 -28.41 3 0 50.26-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 149 59.56 25.91 -31.41 60.43 25.72 -30.95 58.81 25.99 -33.76 57.97 26.55 -34.51 59.43 26.75 -32.60 60.78 27.37 -32.98 2 0 52.82-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 150 59.19 24.73 -33.92 59.85 24.42 -33.24 57.23 23.50 -34.81 56.49 23.40 -35.78 58.68 23.90 -35.00 59.51 22.63 -35.14 2 0 55.02-999 ?-999 ?-999 ? N6A COA A1001 mTHR~B 151 56.85 23.30 -33.56 57.55 23.52 -32.88 54.51 23.95 -33.18 53.36 23.79 -33.62 55.52 22.81 -33.19 55.56 22.08 -31.85 2 0 52.31-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 152 54.97 25.10 -32.68 55.94 25.08 -32.44 54.76 27.50 -33.18 55.18 28.43 -32.49 54.13 26.27 -32.51 53.94 26.53 -31.01 3 0 50.59-999 ?-999 ?-999 ? N6A COA A1001 mPRO.B 153 54.83 27.51 -34.52 54.34 26.76 -34.96 55.01 29.96 -35.07 55.72 30.94 -35.31 55.58 28.55 -35.24 55.46 28.10 -36.71 3 0 53.40-999 ?-999 ?-999 ? N6A COA A1001 mASP.B 154 53.74 30.02 -34.69 53.34 29.13 -34.51 52.91 31.76 -33.13 52.09 32.60 -32.82 53.00 31.27 -34.56 51.58 31.06 -35.04 2 0 51.66-999 ?-999 ?-999 ? N6A COA A1001 mTYR.B 155 53.72 31.21 -32.26 54.31 30.49 -32.63 54.07 33.16 -30.76 54.74 33.72 -31.66 53.71 31.68 -30.88 54.61 30.80 -30.02 3 0 48.48-999 ?-999 ?-999 ? N6A COA A1001 mGLU^B 156 53.64 33.79 -29.67 53.15 33.21 -29.02 54.33 35.40 -28.01 53.72 34.84 -27.08 53.88 35.21 -29.45 52.60 36.06 -29.71 2 0 47.27-999 ?-999 ?-999 ? N6A COA A1001 mTYR^B 157 55.41 36.15 -27.83 55.89 36.41 -28.67 55.54 38.02 -26.28 55.88 38.83 -27.15 55.84 36.54 -26.47 57.33 36.29 -26.27 3 0 45.50-999 ?-999 ?-999 ? N6A COA A1001 mTHR^B 158 54.92 38.37 -25.16 54.67 37.61 -24.57 55.09 40.08 -23.45 54.98 39.20 -22.58 54.65 39.79 -24.87 53.16 40.19 -25.05 2 0 43.93-999 ?-999 ?-999 ? N6A COA A1001 mPRO^B 159 55.60 41.31 -23.20 55.77 41.89 -24.00 54.54 41.78 -21.02 53.47 42.01 -21.60 55.85 41.73 -21.82 56.44 43.13 -21.97 3 0 42.20-999 ?-999 ?-999 ? N6A COA A1001 mILE.B 160 54.62 41.60 -19.71 55.52 41.30 -19.37 53.21 43.33 -18.71 54.13 44.10 -18.43 53.47 41.82 -18.85 53.66 41.17 -17.44 3 0 38.55-999 ?-999 ?-999 ? N6A COA A1001 mTHR~B 161 51.96 43.73 -18.91 51.36 43.01 -19.27 50.33 45.00 -17.70 49.62 43.97 -17.72 51.52 45.10 -18.64 51.04 45.81 -19.93 2 0 38.39-999 ?-999 ?-999 ? N6A COA A1001 mPRO~B 162 50.07 46.06 -16.90 50.69 46.84 -17.00 47.64 45.49 -16.62 46.84 44.81 -15.95 48.93 46.03 -15.97 48.76 47.50 -15.58 3 0 35.39-999 ?-999 ?-999 ? N6A COA A1001 mASP~B 163 47.47 45.77 -17.91 48.23 46.27 -18.32 46.13 43.86 -18.87 45.05 43.38 -19.22 46.26 45.38 -18.66 46.25 46.07 -20.03 2 0 36.56-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 164 47.23 43.14 -18.67 47.99 43.67 -18.31 47.29 40.85 -17.66 47.26 39.61 -17.72 47.30 41.71 -18.95 48.55 41.40 -19.83 2 0 36.09-999 ?-999 ?-999 ? N6A COA A1001 mILE~B 165 47.29 41.51 -16.50 47.20 42.50 -16.61 46.25 39.92 -14.80 46.48 38.77 -14.45 47.41 40.85 -15.19 47.64 41.90 -14.07 3 0 32.53-999 ?-999 ?-999 ? N6A COA A1001 mGLN~B 166 45.02 40.41 -14.84 44.93 41.35 -15.19 43.80 38.26 -15.14 43.43 37.22 -14.55 43.90 39.60 -14.38 42.56 40.37 -14.50 2 0 30.33-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 167 44.11 38.29 -16.43 44.38 39.18 -16.80 45.08 36.05 -16.74 44.74 34.87 -16.55 44.04 37.06 -17.21 44.15 37.32 -18.72 2 0 32.61-999 ?-999 ?-999 ? N6A COA A1001 mCYH~B 168 46.32 36.52 -16.51 46.46 37.46 -16.81 46.87 35.09 -14.57 47.11 33.91 -14.33 47.37 35.72 -15.87 48.64 36.56 -15.59 2 0 32.29-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 169 46.17 35.85 -13.72 46.03 36.80 -14.01 44.59 34.20 -12.73 44.60 33.13 -12.10 45.65 35.29 -12.48 45.10 36.37 -11.53 3 0 28.48-999 ?-999 ?-999 ? N6A COA A1001 mASP~B 170 43.69 34.48 -13.66 43.84 35.34 -14.13 43.12 32.24 -14.47 42.72 31.16 -14.02 42.59 33.56 -13.93 41.63 34.17 -14.94 2 0 28.81-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 171 44.06 32.37 -15.40 44.26 33.31 -15.67 45.56 30.42 -14.99 45.53 29.20 -15.04 44.73 31.22 -15.98 45.58 31.65 -17.17 3 0 31.42-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 172 46.31 31.09 -14.12 46.30 32.08 -14.23 46.17 29.48 -12.21 46.55 28.35 -11.83 47.06 30.37 -13.09 47.81 31.34 -12.20 2 0 29.61-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 173 44.98 30.00 -11.89 44.79 30.92 -12.25 43.56 28.03 -11.88 43.48 26.91 -11.34 44.05 29.25 -11.08 42.89 30.13 -10.63 2 0 26.78-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 174 43.26 28.24 -13.17 43.39 29.19 -13.48 43.86 26.05 -14.13 43.51 24.87 -13.99 42.80 27.17 -14.03 42.40 27.70 -15.43 2 0 29.53-999 ?-999 ?-999 ? N6A COA A1001 mTRP~B 175 45.12 26.42 -14.39 45.23 27.40 -14.50 46.43 24.62 -13.22 46.59 23.39 -13.26 46.22 25.42 -14.51 47.56 26.09 -14.92 3 0 31.41-999 ?-999 ?-999 ? N6A COA A1001 mCSS~B 176 46.45 25.31 -12.08 46.38 26.30 -12.19 45.45 23.60 -10.63 45.72 22.44 -10.26 46.56 24.66 -10.78 46.49 25.70 -9.66 2 0 28.43-999 ?-999 ?-999 ? N6A COA A1001 mLYS~B 177 44.22 24.01 -10.97 44.19 24.93 -11.36 43.15 21.92 -11.62 42.70 20.84 -11.19 43.04 23.19 -10.78 41.79 23.98 -11.18 2 0 27.59-999 ?-999 ?-999 ? S1P COA A1001 mVAL~B 178 43.74 22.04 -12.82 43.99 22.98 -13.06 44.96 19.90 -13.05 44.72 18.68 -13.02 43.97 20.89 -13.70 44.47 21.31 -15.12 3 0 30.34-999 ?-999 ?-999 ? S1P COA A1001 mASN~B 179 46.03 20.44 -12.49 46.10 21.43 -12.59 46.69 19.33 -10.32 47.56 18.87 -9.57 47.03 19.63 -11.79 48.40 20.29 -11.89 2 0 31.09-999 ?-999 ?-999 ? S1P COA A1001 mASN.B 180 45.44 19.58 -9.93 44.82 19.80 -10.69 46.06 20.07 -7.55 46.50 19.34 -6.64 45.01 19.55 -8.52 44.59 18.15 -8.11 2 0 27.41-999 ?-999 ?-999 ? S1P COA A1001 mCSS.B 181 46.45 21.32 -7.73 45.97 21.81 -8.45 46.99 22.26 -5.50 47.79 22.48 -4.59 47.51 21.89 -6.90 48.22 23.03 -7.62 2 0 26.62-999 ?-999 ?-999 ? N6A COA A1001 mASP.B 182 45.67 22.32 -5.33 45.14 22.53 -6.16 45.44 20.62 -3.78 45.26 19.79 -4.67 45.08 22.08 -4.02 43.55 22.19 -4.07 2 0 23.21-999 ?-999 ?-999 ? N6A COA A1001 mGLN.B 183 45.93 20.29 -2.59 45.92 21.06 -1.94 47.96 18.88 -2.36 48.56 17.82 -2.15 46.44 18.94 -2.27 45.82 17.81 -3.13 2 0 24.21-999 ?-999 ?-999 ? N6A COA A1001 mGLN.B 184 48.56 20.01 -2.70 47.95 20.73 -3.05 50.28 21.19 -1.51 49.74 22.32 -1.54 50.00 20.17 -2.58 50.64 20.56 -3.91 2 0 25.63-999 ?-999 ?-999 ? N6A COA A1001 mGLU.B 185 51.11 20.81 -0.53 51.45 19.87 -0.62 51.92 23.07 0.03 52.72 23.12 -0.93 51.46 21.71 0.56 52.58 21.10 1.41 2 0 23.90-999 ?-999 ?-999 ? N6A COA A1001 mGLY~B 186 51.40 24.14 0.62 50.61 23.95 1.19 51.42 26.26 -0.78 51.75 27.44 -0.94 51.95 25.48 0.41-999.99-999.99-999.99 1 0 22.82-999 ?-999 ?-999 ? N6A COA A1001 mTHR~B 187 50.60 25.62 -1.62 50.35 24.69 -1.34 49.16 27.43 -2.56 49.17 28.41 -3.28 50.14 26.28 -2.85 49.53 25.31 -3.89 2 0 23.46-999 ?-999 ?-999 ? N6A COA A1001 mGLY~B 188 48.32 27.29 -1.52 48.35 26.38 -1.11 48.23 29.65 -0.73 47.90 30.75 -1.22 47.45 28.39 -1.05-999.99-999.99-999.99 1 0 19.90-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 189 49.30 29.49 0.06 49.41 28.56 0.40 50.91 31.14 -0.82 50.98 32.36 -1.02 50.21 30.58 0.41 51.21 30.12 1.44 2 0 20.37-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 190 51.40 30.24 -1.67 51.31 29.29 -1.38 51.04 31.52 -3.77 51.44 32.52 -4.36 52.01 30.69 -2.94 52.50 29.52 -3.77 2 0 23.95-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 191 49.78 31.09 -3.85 49.62 30.22 -3.38 48.53 33.28 -3.98 48.40 34.26 -4.76 48.74 31.86 -4.56 47.42 31.06 -4.59 2 0 22.95-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 192 48.51 33.40 -2.64 48.59 32.55 -2.13 49.50 35.65 -2.41 49.29 36.85 -2.67 48.36 34.73 -2.01 48.35 34.62 -0.46 2 0 20.76-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 193 50.71 35.10 -2.43 50.73 34.13 -2.17 51.90 36.22 -4.29 52.24 37.34 -4.66 51.90 35.86 -2.80 53.15 35.08 -2.43 2 0 23.84-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 194 51.45 35.30 -5.15 51.27 34.41 -4.72 50.28 36.73 -6.86 50.53 37.62 -7.68 51.27 35.59 -6.59 50.76 34.33 -7.31 3 0 26.21-999 ?-999 ?-999 ? N6A COA A1001 mILE~B 195 49.15 36.67 -6.16 49.11 35.89 -5.53 48.58 39.04 -5.91 48.36 40.02 -6.66 48.09 37.65 -6.31 46.84 37.29 -5.45 3 0 24.45-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 196 49.22 39.13 -4.74 49.30 38.28 -4.24 50.68 40.99 -5.36 50.60 42.17 -5.73 49.74 40.43 -4.29 50.48 40.29 -2.96 3 0 24.49-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 197 51.61 40.16 -5.82 51.56 39.23 -5.44 51.97 41.12 -8.08 52.31 42.20 -8.60 52.62 40.60 -6.80 53.59 39.46 -7.13 2 0 28.14-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 198 51.04 40.36 -8.61 50.84 39.51 -8.12 49.51 42.03 -9.67 49.50 42.95 -10.51 50.39 40.78 -9.86 49.63 39.61 -10.48 3 0 29.28-999 ?-999 ?-999 ? N6A COA A1001 mHIS~B 199 48.79 42.09 -8.56 48.87 41.28 -7.97 48.81 44.53 -8.10 48.35 45.64 -8.40 47.96 43.26 -8.26 47.19 43.08 -6.96 3 0 27.58-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 200 50.03 44.39 -7.59 50.31 43.45 -7.43 52.10 45.62 -8.20 53.14 46.13 -7.81 50.86 45.57 -7.31 51.22 45.59 -5.82 2 0 29.25-999 ?-999 ?-999 ? N6A COA A1001 mPHE~B 201 51.94 45.11 -9.41 50.99 44.99 -9.67 54.00 45.96 -10.55 55.23 45.85 -10.40 53.08 44.76 -10.28 52.51 44.21 -11.62 3 0 32.33-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 202 53.41 47.08 -10.95 52.41 47.02 -11.02 54.84 48.93 -10.00 56.00 49.27 -10.01 54.20 48.28 -11.25 53.37 49.30 -12.05 2 0 35.06-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 203 54.07 49.06 -8.92 53.13 48.73 -9.07 55.76 48.86 -7.12 56.70 49.46 -6.54 54.55 49.63 -7.65 53.40 49.64 -6.61 2 0 33.44-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 204 55.74 47.55 -7.30 54.94 47.21 -7.80 58.09 46.83 -7.64 59.17 46.61 -7.10 56.82 46.69 -6.82 56.40 45.21 -6.79 3 0 32.97-999 ?-999 ?-999 ? N6A COA A1001 mGLY~B 205 57.94 47.13 -8.92 56.99 47.27 -9.20 59.37 45.95 -10.59 60.47 45.75 -11.11 59.08 47.25 -9.84-999.99-999.99-999.99 1 0 36.61-999 ?-999 ?-999 ? N6A COA A1001 mLEU.B 206 58.37 45.08 -10.67 57.56 45.34 -10.15 58.45 44.10 -12.97 57.86 45.09 -13.45 58.47 43.85 -11.45 57.31 42.93 -11.10 3 0 36.13-999 ?-999 ?-999 ? N6A COA A1001 mTHR^B 207 59.09 43.18 -13.70 59.68 42.58 -13.15 58.63 41.58 -15.44 58.93 40.71 -14.59 58.95 43.06 -15.16 60.23 43.54 -15.89 2 0 38.89-999 ?-999 ?-999 ? N6A COA A1001 mGLY^B 208 58.06 41.28 -16.60 57.94 42.04 -17.24 57.23 39.69 -18.28 57.29 40.63 -19.09 57.67 39.90 -16.86-999.99-999.99-999.99 1 0 38.74-999 ?-999 ?-999 ? N6A COA A1001 mGLY^B 209 56.84 38.46 -18.58 56.76 37.84 -17.80 55.40 37.11 -19.95 55.11 36.47 -18.93 56.55 38.10 -19.95-999.99-999.99-999.99 1 0 40.38-999 ?-999 ?-999 ? N6A COA A1001 mILE^B 210 54.76 37.02 -21.10 55.12 37.63 -21.81 53.88 35.45 -22.67 54.26 36.12 -23.65 53.65 36.11 -21.33 52.31 36.89 -21.40 3 0 39.91-999 ?-999 ?-999 ? N6A COA A1001 mLEU^B 211 53.66 34.14 -22.70 53.45 33.74 -21.81 52.28 32.99 -24.38 51.44 32.58 -23.56 53.70 33.35 -23.93 54.50 32.08 -23.66 3 0 42.14-999 ?-999 ?-999 ? N6A COA A1001 mHIS^B 212 52.01 33.19 -25.67 52.77 33.58 -26.19 50.97 31.83 -27.37 51.95 31.93 -28.13 50.73 32.86 -26.27 50.08 34.11 -26.88 3 0 43.08-999 ?-999 ?-999 ? N6A COA A1001 mVAL^B 213 50.06 30.86 -27.44 49.38 30.89 -26.71 48.63 29.64 -28.95 47.72 29.46 -28.11 50.07 29.84 -28.50 50.73 28.51 -28.00 3 0 45.05-999 ?-999 ?-999 ? N6A COA A1001 mASN.B 214 48.42 29.71 -30.27 49.27 29.82 -30.79 46.09 30.58 -30.22 44.98 30.18 -29.85 47.08 29.62 -30.89 46.54 28.17 -30.89 2 0 46.46-999 ?-999 ?-999 ? N6A COA A1001 mGLY.B 215 46.52 31.82 -30.04 47.47 31.97 -30.29 45.33 32.86 -28.03 44.54 33.70 -27.58 45.65 32.87 -29.51-999.99-999.99-999.99 1 0 44.66-999 ?-999 ?-999 ? N6A COA A1001 mLYS^B 216 45.91 31.93 -27.26 46.49 31.28 -27.74 46.98 32.01 -25.02 48.01 31.50 -25.44 45.69 31.91 -25.81 44.90 30.67 -25.35 2 0 41.09-999 ?-999 ?-999 ? N6A COA A1001 mILE^B 217 46.91 32.64 -23.85 46.04 33.10 -23.66 48.34 31.20 -22.47 47.42 30.48 -22.02 48.06 32.62 -22.97 47.97 33.65 -21.83 3 0 39.06-999 ?-999 ?-999 ? N6A COA A1001 mVAL^B 218 49.59 30.77 -22.57 50.21 31.43 -23.00 51.13 29.47 -21.06 51.55 28.41 -20.57 50.00 29.45 -22.09 50.38 28.48 -23.26 3 0 39.09-999 ?-999 ?-999 ? N6A COA A1001 mALA^B 219 51.69 30.65 -20.78 51.36 31.42 -21.32 52.91 32.19 -19.35 52.62 33.10 -20.16 52.73 30.72 -19.74 54.08 30.11 -20.23 2 0 38.02-999 ?-999 ?-999 ? N6A COA A1001 mPHE^B 220 53.38 32.43 -18.14 53.39 31.64 -17.52 54.95 33.70 -16.76 55.15 32.65 -16.15 53.83 33.78 -17.78 52.68 34.69 -17.32 3 0 36.78-999 ?-999 ?-999 ? N6A COA A1001 mTHR^B 221 55.71 34.78 -16.63 55.40 35.57 -17.16 57.13 36.20 -15.30 56.83 37.13 -16.05 56.89 34.78 -15.74 58.15 34.14 -16.43 2 0 36.81-999 ?-999 ?-999 ? N6A COA A1001 mPHE^B 222 57.68 36.38 -14.10 57.79 35.56 -13.54 59.15 37.72 -12.63 59.46 36.66 -12.05 58.06 37.73 -13.67 56.83 38.56 -13.23 3 0 36.16-999 ?-999 ?-999 ? N6A COA A1001 mGLY^B 223 59.76 38.88 -12.43 59.46 39.62 -13.02 61.32 40.44 -11.41 60.74 41.33 -12.05 60.80 39.01 -11.41-999.99-999.99-999.99 1 0 36.54-999 ?-999 ?-999 ? N6A COA A1001 mMET^B 224 62.40 40.64 -10.67 62.74 39.83 -10.19 64.40 41.88 -10.04 64.83 40.81 -9.56 62.99 41.97 -10.58 62.08 42.90 -9.73 2 0 38.16-999 ?-999 ?-999 ? N6A COA A1001 mPRO^B 225 65.17 42.99 -10.10 64.74 43.80 -10.51 66.62 42.56 -8.10 65.75 42.97 -7.32 66.54 42.90 -9.58 67.09 44.31 -9.79 3 0 40.45-999 ?-999 ?-999 ? N6A COA A1001 mILE^B 226 67.66 41.81 -7.73 68.21 41.47 -8.49 69.07 42.42 -5.84 69.00 43.02 -4.77 67.92 41.51 -6.31 68.31 40.04 -6.14 3 0 39.45-999 ?-999 ?-999 ? N6A COA A1001 mASN^B 227 70.14 42.48 -6.62 70.16 41.79 -7.34 71.68 44.02 -7.76 71.08 43.70 -8.81 71.18 43.50 -6.40 72.30 43.00 -5.45 2 0 42.69-999 ?-999 ?-999 ? N1A COA A1001 mHIS.B 228 72.76 44.81 -7.75 73.24 44.84 -6.87 73.54 44.63 -10.09 73.53 45.07 -11.25 73.19 45.56 -8.94 74.37 46.46 -8.57 3 0 46.13-999 ?-999 ?-999 ? N6A COA A1001 mGLU.B 229 73.83 43.37 -9.78 73.72 43.15 -8.81 73.52 41.07 -10.86 73.93 40.15 -11.60 74.28 42.40 -10.81 75.79 42.16 -10.74 2 0 47.24-999 ?-999 ?-999 ? N6A COA A1001 mTHR^B 230 72.42 41.00 -10.12 72.20 41.86 -9.66 70.13 40.10 -10.16 69.56 40.93 -9.43 71.62 39.78 -9.99 71.87 39.10 -8.60 2 0 44.14-999 ?-999 ?-999 ? N6A COA A1001 mPHE^B 231 69.50 39.46 -11.15 70.10 38.89 -11.72 67.40 38.31 -10.86 67.87 37.20 -11.13 68.07 39.57 -11.38 67.82 39.71 -12.88 3 0 42.04-999 ?-999 ?-999 ? N6A COA A1001 mGLY^B 232 66.28 38.46 -10.15 66.00 39.42 -10.03 64.34 37.03 -10.48 63.57 37.95 -10.78 65.55 37.30 -9.61-999.99-999.99-999.99 1 0 38.68-999 ?-999 ?-999 ? N6A COA A1001 mVAL^B 233 64.20 35.78 -10.94 65.00 35.20 -10.80 62.15 34.65 -10.51 62.54 33.60 -10.00 62.96 35.35 -11.58 63.22 34.40 -12.79 3 0 37.80-999 ?-999 ?-999 ? N6A COA A1001 mHIS^B 234 61.04 35.28 -10.12 60.77 36.04 -10.71 59.25 33.81 -9.23 58.92 32.98 -8.40 60.31 34.86 -8.91 59.68 36.09 -8.25 3 0 34.02-999 ?-999 ?-999 ? N6A COA A1001 mVAL^B 235 58.65 33.92 -10.41 59.04 34.64 -10.99 57.67 32.67 -12.28 58.01 33.51 -13.12 57.54 33.06 -10.81 56.19 33.78 -10.59 3 0 33.35-999 ?-999 ?-999 ? N6A COA A1001 mGLU^B 236 57.35 31.40 -12.57 57.17 30.83 -11.77 56.20 29.82 -13.98 56.34 28.78 -13.32 57.26 30.90 -13.94 58.60 30.35 -14.42 2 0 35.62-999 ?-999 ?-999 ? N6A COA A1001 mLYS^B 237 55.10 30.10 -14.66 55.15 30.96 -15.18 53.57 28.90 -16.06 53.65 29.80 -16.92 53.92 29.21 -14.64 52.71 29.89 -13.99 2 0 34.37-999 ?-999 ?-999 ? N6A COA A1001 mALA^B 238 53.13 27.67 -16.33 53.12 27.05 -15.55 51.57 26.33 -17.72 51.35 25.60 -16.74 52.72 27.33 -17.70 53.92 26.81 -18.50 2 0 36.60-999 ?-999 ?-999 ? N6A COA A1001 mASP.B 239 50.83 26.37 -18.82 50.99 27.18 -19.38 50.70 24.09 -19.50 51.42 24.04 -20.50 49.87 25.33 -19.19 49.08 25.80 -20.42 2 0 37.02-999 ?-999 ?-999 ? N6A COA A1001 mTHR.B 240 50.58 23.09 -18.62 49.93 23.28 -17.88 50.98 21.01 -19.98 51.74 20.12 -20.35 51.33 21.84 -18.74 51.24 20.98 -17.46 2 0 38.10-999 ?-999 ?-999 ? N6A COA A1001 mSER.B 241 49.88 21.34 -20.66 49.34 22.06 -20.24 50.43 21.10 -23.11 50.40 20.48 -24.18 49.55 20.65 -21.92 48.06 20.78 -22.25 2 0 40.24-999 ?-999 ?-999 ? S1P COA A1001 mILE.B 242 51.22 22.15 -22.92 51.24 22.50 -21.98 53.48 22.40 -23.86 54.21 23.09 -23.12 52.00 22.74 -24.02 51.78 24.27 -24.08 3 0 42.74-999 ?-999 ?-999 ? N6A COA A1001 mASP.B 243 53.93 21.37 -24.57 53.23 20.94 -25.14 56.29 22.05 -24.81 56.18 22.70 -25.86 55.33 20.91 -24.52 55.54 19.80 -25.56 2 0 45.04-999 ?-999 ?-999 ? N6A COA A1001 mGLY~B 244 57.25 22.29 -23.91 57.18 21.74 -23.08 57.96 24.71 -23.78 58.81 25.58 -23.94 58.29 23.28 -24.17-999.99-999.99-999.99 1 0 45.60-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 245 56.76 24.96 -23.26 56.19 24.15 -23.16 57.26 26.92 -21.76 57.60 28.11 -21.82 56.36 26.33 -22.87 54.88 26.36 -22.45 2 0 42.96-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 246 57.68 26.08 -20.81 57.31 25.16 -20.88 59.94 26.95 -20.33 60.48 28.00 -19.97 58.61 26.53 -19.75 58.86 25.43 -18.68 3 0 41.52-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 247 60.47 26.12 -21.23 59.92 25.31 -21.43 61.69 27.67 -22.68 62.58 28.51 -22.64 61.76 26.40 -21.84 62.25 25.20 -22.68 2 0 45.05-999 ?-999 ?-999 ? N6A COA A1001 mMET~B 248 60.59 27.83 -23.42 59.89 27.12 -23.33 60.36 30.30 -23.53 61.01 31.28 -23.89 60.48 28.99 -24.30 59.32 28.88 -25.32 2 0 46.01-999 ?-999 ?-999 ? N6A COA A1001 mILE~B 249 59.50 30.34 -22.52 59.03 29.48 -22.30 60.57 32.00 -21.01 60.90 33.18 -20.88 59.33 31.61 -21.81 58.03 31.68 -20.96 3 0 43.15-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 250 61.26 31.00 -20.47 60.81 30.11 -20.57 63.50 31.97 -20.72 64.04 33.02 -20.39 62.55 31.19 -19.79 63.10 29.79 -19.43 2 0 43.47-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 251 63.65 31.44 -21.94 63.08 30.63 -22.10 64.18 33.42 -23.35 65.01 34.34 -23.32 64.56 31.99 -22.93 64.55 31.06 -24.14 3 0 47.15-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 252 62.91 33.60 -23.68 62.34 32.78 -23.60 62.63 35.96 -22.99 63.15 37.05 -23.22 62.43 34.93 -24.12 60.95 34.83 -24.52 2 0 46.84-999 ?-999 ?-999 ? N6A COA A1001 mPHE~B 253 62.22 35.61 -21.77 61.84 34.69 -21.69 63.83 36.88 -20.35 64.17 38.02 -20.07 62.36 36.58 -20.68 61.58 36.14 -19.43 3 0 44.15-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 254 64.68 35.85 -20.37 64.27 34.96 -20.60 66.69 37.09 -21.02 67.54 37.86 -20.63 66.10 36.03 -20.08 66.89 34.72 -20.20 2 0 46.07-999 ?-999 ?-999 ? N6A COA A1001 mASN~B 255 66.24 37.08 -22.27 65.59 36.35 -22.47 66.17 39.48 -23.03 66.73 40.43 -23.60 66.69 38.06 -23.25 66.35 37.58 -24.68 2 0 49.00-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 256 65.13 39.63 -22.20 64.75 38.76 -21.87 65.23 41.52 -20.52 65.11 42.71 -20.20 64.60 40.97 -21.82 63.08 40.91 -21.66 2 0 46.98-999 ?-999 ?-999 ? N6A COA A1001 mILE~B 257 65.90 40.65 -19.77 65.89 39.71 -20.11 67.77 41.94 -18.96 68.59 41.49 -19.78 66.57 41.07 -18.54 67.05 39.84 -17.69 3 0 45.89-999 ?-999 ?-999 ? N6A COA A1001 mPRO.B 258 67.86 43.18 -18.43 67.13 43.42 -17.79 70.34 43.46 -18.60 70.56 42.71 -17.63 68.96 44.08 -18.79 68.77 45.24 -17.82 3 0 48.33-999 ?-999 ?-999 ? N6A COA A1001 mGLU.B 259 71.27 43.78 -19.50 71.02 44.50 -20.14 73.46 43.35 -18.27 74.39 42.58 -18.05 72.56 43.08 -19.49 73.33 43.30 -20.80 2 0 51.16-999 ?-999 ?-999 ? N6A COA A1001 mGLN.B 260 73.19 44.40 -17.48 72.46 44.98 -17.80 73.78 43.45 -15.22 74.60 43.22 -14.34 73.98 44.60 -16.22 73.69 45.95 -15.53 2 0 50.51-999 ?-999 ?-999 ? N6A COA A1001 mTYR.B 261 72.68 42.72 -15.38 72.12 43.01 -16.16 73.08 40.35 -14.97 72.52 39.58 -15.76 72.36 41.60 -14.47 70.84 41.42 -14.34 3 0 47.59-999 ?-999 ?-999 ? N6A COA A1001 mILE.B 262 74.36 40.24 -14.56 74.68 40.96 -13.94 74.64 37.79 -14.49 74.79 36.77 -15.17 75.19 39.12 -15.01 76.67 39.33 -14.62 3 0 49.78-999 ?-999 ?-999 ? N6A COA A1001 mTYR^B 263 73.99 37.81 -13.32 73.92 38.72 -12.91 71.92 36.59 -12.71 71.30 37.63 -12.51 73.44 36.58 -12.72 73.92 36.42 -11.28 3 0 46.79-999 ?-999 ?-999 ? N6A COA A1001 mILE^B 264 71.33 35.40 -12.87 71.97 34.66 -13.09 69.64 34.22 -11.58 70.19 33.11 -11.59 69.89 35.22 -12.72 69.25 34.69 -14.02 3 0 43.84-999 ?-999 ?-999 ? N6A COA A1001 mASN^B 265 68.84 34.62 -10.60 68.47 35.54 -10.71 67.13 33.19 -9.70 66.17 33.96 -9.72 68.54 33.75 -9.46 68.59 34.58 -8.15 2 0 40.77-999 ?-999 ?-999 ? N6A COA A1001 mARG.B 266 67.03 31.87 -9.89 67.89 31.37 -9.88 65.25 30.47 -8.85 64.44 29.55 -8.95 65.72 31.25 -10.10 65.76 30.39 -11.37 2 0 38.92-999 ?-999 ?-999 ? N6A COA A1001 mGLU.B 267 65.77 30.85 -7.69 66.56 31.46 -7.77 65.47 28.93 -6.10 66.43 28.35 -6.64 65.22 30.41 -6.40 63.74 30.83 -6.30 2 0 36.39-999 ?-999 ?-999 ? N6A COA A1001 mGLU.B 268 64.64 28.33 -5.24 63.78 28.82 -5.09 64.25 25.86 -5.17 63.24 26.02 -5.85 65.00 27.05 -4.59 64.62 27.10 -3.09 2 0 35.62-999 ?-999 ?-999 ? N6A COA A1001 mASP.B 269 64.72 24.65 -4.86 65.54 24.64 -4.29 63.10 22.85 -4.30 62.35 21.92 -4.62 64.04 23.47 -5.34 65.05 22.46 -5.91 2 0 36.01-999 ?-999 ?-999 ? N6A COA A1001 mLEU.B 270 63.15 23.37 -3.08 63.84 24.08 -2.99 62.39 21.46 -1.60 61.52 20.90 -0.90 62.27 22.94 -1.97 60.80 23.30 -2.24 3 0 33.00-999 ?-999 ?-999 ? N6A COA A1001 mGLY.B 271 63.48 20.82 -2.05 64.12 21.41 -2.54 62.78 18.51 -2.65 62.64 17.32 -2.38 63.69 19.38 -1.81-999.99-999.99-999.99 1 0 35.32-999 ?-999 ?-999 ? N6A COA A1001 mILE~B 272 62.13 19.10 -3.65 62.27 20.08 -3.70 62.18 17.72 -5.66 62.83 18.44 -6.41 61.29 18.33 -4.58 60.18 19.21 -5.22 3 0 35.22-999 ?-999 ?-999 ? N6A COA A1001 mGLU~B 273 62.19 16.39 -5.73 61.56 15.94 -5.10 63.04 16.16 -8.10 64.10 16.42 -8.70 63.06 15.65 -6.64 62.68 14.16 -6.60 2 0 38.76-999 ?-999 ?-999 ? N6A COA A1001 mGLY~B 274 61.84 16.31 -8.66 61.08 16.09 -8.05 62.10 18.20 -10.25 62.63 18.56 -11.30 61.66 16.75 -10.04-999.99-999.99-999.99 1 0 39.25-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 275 61.86 19.03 -9.25 61.39 18.63 -8.47 63.81 20.58 -9.25 64.42 21.39 -9.96 62.28 20.43 -9.33 61.62 21.24 -8.22 3 0 37.87-999 ?-999 ?-999 ? N6A COA A1001 mARG~B 276 64.43 19.84 -8.35 63.82 19.32 -7.76 66.49 19.38 -9.61 67.46 19.97 -10.10 65.90 19.80 -8.27 66.34 18.84 -7.17 2 0 40.15-999 ?-999 ?-999 ? N6A COA A1001 mLYS~B 277 65.92 18.34 -10.21 65.17 17.92 -9.68 66.25 18.99 -12.59 67.21 19.24 -13.34 66.37 17.88 -11.53 65.60 16.64 -11.99 2 0 43.02-999 ?-999 ?-999 ? N6A COA A1001 mALA~B 278 65.11 19.67 -12.60 64.46 19.38 -11.90 65.85 21.91 -13.39 66.44 22.40 -14.34 64.86 20.75 -13.57 63.44 21.25 -13.45 2 0 42.29-999 ?-999 ?-999 ? N6A COA A1001 mLYS~B 279 66.03 22.36 -12.15 65.50 21.88 -11.44 68.42 23.10 -12.16 69.20 23.92 -12.70 66.93 23.47 -11.89 66.70 24.02 -10.47 2 0 42.04-999 ?-999 ?-999 ? N6A COA A1001 mLEU~B 280 68.81 21.87 -11.84 68.13 21.29 -11.40 70.40 21.30 -13.64 71.54 21.42 -14.09 70.18 21.45 -12.15 70.56 20.13 -11.43 3 0 45.16-999 ?-999 ?-999 ? N6A COA A1001 mSER~B 281 69.34 21.02 -14.41 68.47 20.98 -13.91 69.90 22.08 -16.59 70.48 22.01 -17.69 69.48 20.81 -15.85 68.20 20.22 -16.46 2 0 47.04-999 ?-999 ?-999 ? N6A COA A1001 mTYR~B 282 69.63 23.24 -15.98 69.13 23.15 -15.12 71.46 24.95 -16.10 71.88 26.06 -16.42 70.07 24.51 -16.56 69.07 25.64 -16.23 3 0 47.11-999 ?-999 ?-999 ? N6A COA A1001 mGLN.B 283 72.21 24.07 -15.43 71.68 23.31 -15.05 74.03 25.50 -14.45 74.72 26.41 -14.96 73.67 24.25 -15.28 74.36 24.29 -16.67 2 0 49.12-999 ?-999 ?-999 ? N6A COA A1001 mPRO.B 284 73.57 25.54 -13.17 73.09 24.73 -12.84 75.27 27.01 -12.16 76.06 26.07 -12.02 73.78 26.75 -12.35 73.14 26.39 -10.99 3 0 47.13-999 ?-999 ?-999 ? N6A COA A1001 mVAL.B 285 75.67 28.28 -12.14 74.97 28.95 -12.36 77.30 28.53 -10.30 78.39 28.21 -9.88 77.05 28.59 -11.80 77.54 29.95 -12.37 3 0 49.37-999 ?-999 ?-999 ? N6A COA A1001 mTHR^B 286 76.26 28.78 -9.50 75.41 28.96 -9.99 75.11 28.17 -7.47 74.03 28.48 -7.95 76.38 28.78 -8.04 76.54 30.22 -7.50 2 0 46.91-999 ?-999 ?-999 ? N6A COA A1001 mILE^B 287 75.25 27.29 -6.49 76.19 26.95 -6.38 74.33 27.56 -4.31 75.33 27.28 -3.60 74.11 26.87 -5.67 73.98 25.32 -5.59 3 0 44.04-999 ?-999 ?-999 ? N6A COA A1001 mLEU^B 288 73.48 28.54 -4.03 72.66 28.55 -4.61 73.12 28.98 -1.66 71.91 29.06 -1.46 73.73 29.50 -2.96 73.13 30.86 -3.31 3 0 42.27-999 ?-999 ?-999 ? N6A COA A1001 mGLU.B 289 73.97 28.42 -0.79 74.92 28.40 -1.08 73.03 29.02 1.40 73.58 30.13 1.36 73.49 27.88 0.49 74.57 27.06 1.22 2 0 40.91-999 ?-999 ?-999 ? N1A COA A1001 mLYS.B 290 72.03 28.74 2.24 71.70 27.80 2.14 71.46 29.04 4.56 70.80 28.01 4.73 71.49 29.71 3.21 70.05 30.10 2.85 2 0 37.86-999 ?-999 ?-999 ? N1A COA A1001 mTYR^B 291 72.21 29.58 5.50 72.75 30.37 5.21 71.21 29.77 7.70 70.96 30.97 7.48 72.21 29.02 6.85 73.58 29.19 7.53 3 0 37.59-999 ?-999 ?-999 ? N1A COA A1001 mMET^B 292 70.64 29.04 8.65 70.69 28.05 8.47 71.08 29.66 10.94 71.81 28.70 11.14 70.01 29.61 9.84 68.82 28.74 10.26 2 0 34.77-999 ?-999 ?-999 ? N1A COA A1001 mALA^B 293 71.16 30.77 11.66 70.48 31.47 11.41 71.43 31.29 14.00 70.77 32.33 14.05 72.16 30.94 12.72 73.10 32.08 12.33 2 0 36.30-999 ?-999 ?-999 ? C2A COA A1001 mCSS^B 294 71.47 30.41 14.99 72.07 29.62 14.82 71.65 30.67 17.41 72.62 29.90 17.50 70.70 30.59 16.22 69.71 29.46 16.43 2 0 34.62-999 ?-999 ?-999 ? C2A COA A1001 mLEU^B 295 71.37 31.60 18.31 70.52 32.10 18.16 72.20 30.63 20.35 71.10 30.17 20.66 72.27 31.84 19.43 71.86 33.13 20.14 3 0 36.15-999 ?-999 ?-999 ? C2A COA A1001 mLYS.B 296 73.35 30.14 20.80 74.15 30.67 20.52 72.82 29.11 22.98 73.14 30.03 23.68 73.41 28.93 21.61 74.84 28.47 21.80 2 0 37.61-999 ?-999 ?-999 ? O8A COA A1001