HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JUL-04 1TZA COMPND APAG PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: SOR45; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; SOURCE 3 ORGANISM_TAXID: 211586; SOURCE 4 STRAIN: MR-1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR A.P.KUZIN,S.M.VOROBIEV,W.EDSTROM,T.B.ACTON,R.SHASTRY,L.-C.MA, AUTHOR 2 B.COOPER,R.XIAO,G.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 3 GENOMICS CONSORTIUM (NESG) HET MSE A 96 8 HET MSE A 102 8 HET MSE B 96 8 HET MSE B 102 8 HET CAC B 201 5 SITE 1 AC1 5 SER A 31 PHE B 30 SER B 31 SER B 85 mALA~A 3 27.10 55.81 42.88 26.85 55.89 43.85 26.29 55.16 40.63 25.63 55.90 39.89 27.46 55.70 41.44 28.68 54.79 41.27 2 0 33.12-999 ?-999 ?-999 ? O2 CAC B 201 mLEU~A 4 26.02 53.86 40.78 26.64 53.39 41.41 23.60 53.34 40.81 22.60 52.72 40.43 24.93 53.20 40.07 25.25 51.71 39.90 3 0 29.84-999 ?-999 ?-999 ? O2 CAC B 201 mASP~A 5 23.58 54.15 41.86 24.45 54.60 42.05 21.18 54.83 41.83 20.03 54.58 42.20 22.38 54.35 42.65 22.66 55.33 43.78 2 0 28.20-999 ?-999 ?-999 ? O2 CAC B 201 mASN~A 6 21.44 55.50 40.72 22.41 55.63 40.52 20.01 55.05 38.72 18.97 55.19 38.10 20.36 55.99 39.87 20.71 57.36 39.28 2 0 28.29-999 ?-999 ?-999 ? O2 CAC B 201 mSER.A 7 20.89 54.09 38.44 21.69 54.07 39.05 19.41 52.32 37.44 18.92 51.82 36.42 20.68 53.16 37.34 21.88 52.22 37.19 2 0 27.25-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 8 18.86 52.18 38.64 19.33 52.65 39.38 16.46 52.12 39.40 16.59 52.79 40.42 17.66 51.37 38.80 17.96 50.14 39.65 3 0 23.53-999 ?-999 ?-999 ? O2 CAC B 201 mARG^A 9 15.30 51.97 38.76 15.35 51.40 37.95 13.06 51.53 39.61 12.88 50.56 38.87 14.07 52.60 39.23 13.48 53.51 38.14 2 0 21.96-999 ?-999 ?-999 ? O2 CAC B 201 mVAL^A 10 12.40 51.70 40.74 12.63 52.53 41.24 9.98 51.27 41.21 9.70 52.31 41.81 11.42 50.72 41.20 11.78 50.20 42.61 3 0 18.47-999 ?-999 ?-999 ? O2 CAC B 201 mGLU^A 11 9.08 50.58 40.52 9.46 49.76 40.07 6.83 49.85 41.05 7.15 48.67 40.90 7.68 50.97 40.44 7.28 51.21 38.98 2 0 17.11-999 ?-999 ?-999 ? O2 CAC B 201 mVAL^A 12 5.76 50.21 41.73 5.56 51.19 41.76 3.46 49.45 42.42 3.01 50.59 42.60 4.95 49.19 42.37 5.44 48.97 43.83 3 0 14.10-999 ?-999 ?-999 ? O2 CAC B 201 mLYS^A 13 2.69 48.39 42.24 3.19 47.54 42.04 0.82 47.34 43.31 1.52 46.33 43.43 1.24 48.46 42.33 0.59 48.29 40.95 2 0 12.37-999 ?-999 ?-999 ? O1 CAC B 201 mTHR^A 14 -0.28 47.53 44.01 -0.76 48.39 43.83 -2.19 46.20 44.83 -2.94 46.88 44.13 -0.73 46.54 44.98 -0.52 47.04 46.41 2 0 9.51-999 ?-999 ?-999 ? O1 CAC B 201 mGLU^A 15 -2.61 45.14 45.53 -1.91 44.71 46.09 -4.40 43.90 46.69 -3.64 43.07 47.21 -3.98 44.68 45.45 -4.12 43.81 44.21 2 0 8.15-999 ?-999 ?-999 ? O1 CAC B 201 mTYR^A 16 -5.60 44.19 47.19 -6.11 44.90 46.70 -6.68 42.19 47.82 -7.62 42.21 47.02 -6.10 43.49 48.35 -7.19 44.29 49.06 3 0 8.10-999 ?-999 ?-999 ? O1 CAC B 201 mILE^A 17 -6.13 41.08 48.26 -5.38 41.19 48.92 -7.78 39.23 48.56 -8.89 39.13 48.04 -6.61 39.80 47.77 -5.47 38.78 47.72 3 0 6.16-999 ?-999 ?-999 ? O1 CAC B 201 mGLU^A 18 -7.55 38.89 49.83 -6.64 39.08 50.17 -8.39 38.38 52.09 -7.25 38.51 52.55 -8.62 38.28 50.60 -8.71 36.81 50.18 2 0 8.40-999 ?-999 ?-999 ? O1 CAC B 201 mGLN^A 19 -9.48 38.34 52.85 -10.33 38.27 52.34 -9.03 36.99 54.79 -9.58 36.00 54.31 -9.40 38.39 54.31 -10.75 38.81 54.88 2 0 11.07-999 ?-999 ?-999 ? O1 CAC B 201 mGLN.A 20 -8.11 36.89 55.74 -7.72 37.76 56.04 -7.95 35.55 57.77 -7.36 34.74 58.48 -7.71 35.59 56.27 -6.23 35.32 56.00 2 0 11.44-999 ?-999 ?-999 ? O1 CAC B 201 mSER.A 21 -8.85 36.41 58.24 -9.29 36.97 57.55 -9.81 35.32 60.38 -10.69 34.65 59.83 -9.14 36.50 59.67 -9.98 37.76 59.95 2 0 14.94-999 ?-999 ?-999 ? O1 CAC B 201 mSER.A 22 -9.38 35.08 61.62 -8.63 35.68 61.90 -10.81 34.85 63.45 -10.65 36.07 63.57 -9.96 34.05 62.47 -8.86 33.29 63.22 2 0 18.02-999 ?-999 ?-999 ? O1 CAC B 201 mPRO.A 23 -11.73 34.20 64.17 -11.77 33.22 64.00 -12.03 36.08 65.93 -12.77 37.01 66.25 -12.60 34.90 65.13 -13.08 33.76 66.03 3 0 21.52-999 ?-999 ?-999 ? O1 CAC B 201 mGLU.A 24 -10.74 36.06 66.24 -10.23 35.26 65.91 -8.78 37.63 66.54 -8.09 38.35 67.26 -10.15 37.16 67.01 -10.06 36.77 68.48 2 0 21.86-999 ?-999 ?-999 ? O1 CAC B 201 mASP.A 25 -8.40 37.22 65.35 -9.06 36.64 64.87 -7.33 38.08 63.38 -7.49 37.27 62.47 -7.11 37.61 64.80 -6.14 36.44 64.83 2 0 18.67-999 ?-999 ?-999 ? O1 CAC B 201 mGLU.A 26 -7.36 39.39 63.21 -7.24 39.92 64.04 -6.34 39.74 61.02 -5.20 39.92 61.47 -7.56 39.98 61.89 -7.81 41.49 62.02 2 0 16.35-999 ?-999 ?-999 ? O1 CAC B 201 mLYS.A 27 -6.58 39.33 59.78 -7.55 39.20 59.58 -6.01 39.52 57.44 -7.13 39.20 57.05 -5.51 39.08 58.81 -5.15 37.59 58.76 2 0 12.62-999 ?-999 ?-999 ? O1 CAC B 201 mTYR^A 28 -5.17 40.24 56.72 -4.29 40.42 57.15 -4.42 40.39 54.40 -3.29 40.86 54.56 -5.53 40.71 55.39 -5.80 42.22 55.44 3 0 10.00-999 ?-999 ?-999 ? O1 CAC B 201 mLEU^A 29 -4.75 39.58 53.40 -5.70 39.29 53.40 -3.69 40.16 51.21 -4.68 40.44 50.53 -3.78 39.17 52.38 -4.11 37.78 51.84 3 0 6.20-999 ?-999 ?-999 ? O1 CAC B 201 mPHE^A 30 -2.49 40.67 50.99 -1.79 40.35 51.62 -1.21 41.05 48.94 -0.38 40.24 49.31 -2.23 41.62 49.91 -1.65 42.92 50.47 3 0 5.28-999 ?-999 ?-999 ? O1 CAC B 201 mSER^A 31 -1.29 41.49 47.69 -2.05 42.10 47.50 0.32 42.38 46.26 -0.32 43.44 46.30 -0.31 41.08 46.71 -0.96 40.40 45.50 2 0 -3.88-999 ?-999 ?-999 ? O1 CAC B 201s mTYR^A 32 1.59 42.31 45.86 2.01 41.41 45.96 3.09 43.03 44.11 3.70 41.95 44.12 2.28 43.47 45.33 3.17 44.15 46.39 3 0 7.25-999 ?-999 ?-999 ? O1 CAC B 201 mTHR^A 33 3.04 43.84 43.06 2.48 44.65 43.20 4.81 44.64 41.64 4.49 45.81 41.41 3.76 43.56 41.82 2.79 43.55 40.62 2 0 8.82-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 34 6.07 44.24 41.77 6.17 43.26 41.95 7.79 45.11 40.26 7.92 44.05 39.66 7.19 45.15 41.66 8.32 44.78 42.67 3 0 11.63-999 ?-999 ?-999 ? O2 CAC B 201 mTHR^A 35 8.15 46.28 39.75 7.94 47.06 40.33 10.10 47.07 38.73 10.14 48.17 39.29 8.78 46.39 38.44 7.97 47.25 37.46 2 0 14.70-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 36 11.19 46.40 38.36 10.99 45.52 37.92 13.17 47.18 37.22 13.55 46.27 36.49 12.53 46.90 38.58 13.33 45.85 39.36 3 0 17.21-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 37 13.26 48.46 36.89 12.92 49.09 37.59 15.30 49.24 35.70 15.71 50.05 36.54 13.82 48.89 35.61 13.06 50.11 35.07 3 0 20.60-999 ?-999 ?-999 ? O2 CAC B 201 mASN^A 38 16.09 48.63 34.83 15.63 47.97 34.23 17.79 49.86 33.63 17.85 49.45 32.47 17.52 48.90 34.79 18.31 47.61 34.61 2 0 23.43-999 ?-999 ?-999 ? O2 CAC B 201 mLEU.A 39 17.93 51.13 33.97 17.86 51.31 34.96 19.69 52.34 32.76 20.12 53.19 31.98 18.19 52.18 33.00 17.58 53.50 33.49 3 0 26.61-999 ?-999 ?-999 ? O2 CAC B 201 mGLY.A 40 20.48 51.51 33.44 20.00 50.86 34.04 22.41 51.08 31.94 21.64 50.57 31.14 21.92 51.57 33.29-999.99-999.99-999.99 1 0 28.68-999 ?-999 ?-999 ? O2 CAC B 201 mGLU.A 41 23.70 51.24 31.69 24.22 51.67 32.42 24.95 49.46 30.63 25.69 48.97 29.77 24.28 50.81 30.42 25.31 51.83 29.94 2 0 31.32-999 ?-999 ?-999 ? O2 CAC B 201 mGLN.A 42 24.68 48.85 31.78 24.03 49.35 32.36 24.27 46.72 32.91 23.40 47.24 33.60 25.28 47.58 32.14 26.51 47.88 32.99 2 0 29.89-999 ?-999 ?-999 ? O2 CAC B 201 mALA.A 43 24.39 45.40 32.78 25.14 45.10 32.19 23.58 44.63 34.98 24.65 44.93 35.51 23.47 44.49 33.47 23.74 43.04 33.05 2 0 26.72-999 ?-999 ?-999 ? O2 CAC B 201 mALA^A 44 22.46 44.40 35.67 21.67 44.18 35.09 21.67 43.27 37.68 20.58 42.92 37.22 22.40 44.49 37.12 21.70 45.77 37.55 2 0 24.35-999 ?-999 ?-999 ? O2 CAC B 201 mLYS^A 45 22.27 42.64 38.68 23.14 43.04 38.96 21.17 41.73 40.69 21.88 42.26 41.55 21.70 41.46 39.29 22.76 40.36 39.35 2 0 22.13-999 ?-999 ?-999 ? O2 CAC B 201 mLEU^A 46 19.91 41.38 40.91 19.45 40.97 40.11 19.63 40.40 43.11 19.17 39.28 42.91 19.26 41.57 42.20 17.74 41.64 42.01 3 0 19.21-999 ?-999 ?-999 ? O2 CAC B 201 mGLU^A 47 20.46 40.66 44.12 20.76 41.61 44.19 20.08 39.46 46.31 19.75 38.35 46.72 20.88 39.59 45.01 22.37 39.74 45.34 2 0 20.04-999 ?-999 ?-999 ? O2 CAC B 201 mTHR^A 48 19.77 40.59 46.94 20.09 41.43 46.49 17.88 41.57 48.28 17.79 42.51 47.48 19.02 40.56 48.19 19.92 40.85 49.41 2 0 18.62-999 ?-999 ?-999 ? O2 CAC B 201 mARG^A 49 17.02 41.38 49.26 17.20 40.56 49.82 15.85 42.51 50.99 16.27 41.66 51.78 15.93 42.29 49.49 14.60 41.73 48.98 2 0 16.54-999 ?-999 ?-999 ? O2 CAC B 201 mHIS^A 50 15.35 43.67 51.38 15.08 44.27 50.63 13.96 44.86 52.88 13.94 46.01 52.44 15.20 44.00 52.78 16.42 44.76 53.30 3 0 17.73-999 ?-999 ?-999 ? O2 CAC B 201 mTRP^A 51 12.91 44.29 53.46 13.07 43.35 53.78 11.37 45.44 55.03 11.91 44.90 56.00 11.63 44.97 53.61 10.48 44.03 53.22 3 0 16.01-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 52 10.55 46.47 55.14 10.25 46.84 54.26 8.62 47.15 56.19 8.17 47.92 55.34 10.11 47.01 56.42 10.74 48.40 56.73 3 0 17.45-999 ?-999 ?-999 ? O1 CAC B 201 mILE^A 53 7.86 46.36 56.93 8.36 45.80 57.57 5.78 46.88 58.08 6.09 46.41 59.17 6.41 46.34 56.80 5.95 44.89 56.53 3 0 15.18-999 ?-999 ?-999 ? O1 CAC B 201 mTHR^A 54 4.89 47.85 57.91 4.72 48.11 56.96 2.71 48.46 58.95 2.15 48.83 57.91 4.23 48.49 59.04 4.68 49.96 59.15 2 0 17.16-999 ?-999 ?-999 ? O1 CAC B 201 mASP^A 55 2.04 48.02 60.02 2.61 47.72 60.78 0.09 49.38 60.44 0.89 50.25 60.78 0.58 47.99 60.02 0.02 46.89 60.94 2 0 16.81-999 ?-999 ?-999 ? O1 CAC B 201 mALA.A 56 -1.23 49.57 60.44 -1.76 48.77 60.17 -1.37 51.43 62.13 -1.43 52.64 62.34 -1.81 50.86 60.79 -3.34 50.78 60.73 2 0 19.26-999 ?-999 ?-999 ? O1 CAC B 201 mASN.A 57 -0.91 50.57 63.04 -0.88 49.62 62.72 1.00 51.19 64.57 1.46 51.41 65.68 -0.49 50.99 64.38 -0.97 49.99 65.42 2 0 22.02-999 ?-999 ?-999 ? O1 CAC B 201 mGLY.A 58 1.76 51.11 63.49 1.28 50.93 62.63 3.95 50.02 63.96 5.18 50.02 64.03 3.20 51.29 63.61-999.99-999.99-999.99 1 0 22.01-999 ?-999 ?-999 ? O1 CAC B 201 mLYS.A 59 3.23 48.93 64.19 2.24 49.06 64.12 4.54 47.17 63.26 3.88 46.90 62.25 3.86 47.65 64.53 2.81 46.65 64.99 2 0 20.81-999 ?-999 ?-999 ? O1 CAC B 201 mTHR^A 60 5.86 47.06 63.30 6.29 47.28 64.18 7.22 45.27 62.14 7.52 44.72 63.20 6.59 46.66 62.11 7.72 47.65 61.79 2 0 19.22-999 ?-999 ?-999 ? O1 CAC B 201 mSER^A 61 7.40 44.72 60.94 7.06 45.29 60.19 9.14 43.72 59.74 9.08 44.71 59.02 8.03 43.42 60.74 7.05 42.42 60.11 2 0 17.44-999 ?-999 ?-999 ? O1 CAC B 201 mGLU^A 62 10.15 42.87 59.70 10.10 42.10 60.33 11.51 41.80 58.04 11.59 40.74 58.66 11.24 43.10 58.77 12.49 43.55 59.52 2 0 17.86-999 ?-999 ?-999 ? O1 CAC B 201 mVAL^A 63 11.63 41.87 56.72 11.51 42.78 56.34 13.20 40.86 55.20 13.39 41.86 54.52 11.90 40.67 55.94 10.77 40.39 54.94 3 0 15.70-999 ?-999 ?-999 ? O2 CAC B 201 mGLN^A 64 14.10 39.90 55.34 13.80 39.14 55.93 15.66 38.59 54.05 15.45 37.56 54.69 15.39 39.95 54.68 16.48 40.28 55.70 2 0 17.39-999 ?-999 ?-999 ? O2 CAC B 201 mGLY^A 65 16.12 38.58 52.80 16.25 39.48 52.38 17.17 37.47 50.84 17.50 38.57 50.42 16.41 37.32 52.14-999.99-999.99-999.99 1 0 16.67-999 ?-999 ?-999 ? O2 CAC B 201 mALA^A 66 17.45 36.34 50.20 17.13 35.51 50.66 17.18 36.44 47.79 16.20 35.69 47.73 18.18 36.35 48.94 19.03 35.08 48.80 2 0 17.35-999 ?-999 ?-999 ? O2 CAC B 201 mGLY.A 67 17.42 37.40 46.90 18.23 37.95 47.10 15.13 37.94 46.03 14.80 38.51 47.07 16.58 37.60 45.74-999.99-999.99-999.99 1 0 15.48-999 ?-999 ?-999 ? O2 CAC B 201 mVAL.A 68 14.28 37.58 45.07 14.73 37.15 44.28 12.23 36.53 44.58 12.71 35.95 43.61 12.86 37.79 45.13 12.40 39.01 44.28 3 0 11.82-999 ?-999 ?-999 ? O2 CAC B 201 mVAL.A 69 11.15 36.10 45.22 10.87 36.69 45.98 11.28 33.73 44.33 10.97 33.12 43.30 10.42 34.89 44.85 9.28 35.20 43.85 3 0 9.32-999 ?-999 ?-999 ? O2 CAC B 201 mGLY.A 70 12.36 33.45 45.04 12.53 34.04 45.83 14.34 32.54 43.68 15.11 31.62 43.43 13.21 32.33 44.67-999.99-999.99-999.99 1 0 12.59-999 ?-999 ?-999 ? O2 CAC B 201 mGLU.A 71 14.45 33.73 43.11 13.75 34.40 43.36 16.24 35.28 42.37 15.69 36.22 42.96 15.53 33.96 42.17 15.04 33.88 40.72 2 0 14.86-999 ?-999 ?-999 ? O2 CAC B 201 mTHR.A 72 17.47 35.31 41.88 17.75 34.44 41.48 18.47 36.77 40.40 19.41 36.33 39.74 18.35 36.47 41.90 19.75 36.10 42.49 2 0 17.55-999 ?-999 ?-999 ? O2 CAC B 201 mPRO.A 73 17.50 37.51 39.85 16.79 37.80 40.50 18.49 38.87 37.93 18.85 39.81 38.63 17.47 37.85 38.42 16.04 38.34 38.23 3 0 17.85-999 ?-999 ?-999 ? O2 CAC B 201 mTHR^A 74 18.97 38.65 36.71 18.63 37.82 36.26 19.09 40.41 35.14 18.42 39.88 34.25 19.92 39.58 36.11 21.06 38.84 35.37 2 0 21.26-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 75 19.09 41.72 35.35 19.66 42.00 36.13 19.29 43.37 33.60 20.09 44.20 34.05 18.33 42.63 34.52 17.59 43.67 35.39 3 0 21.42-999 ?-999 ?-999 ? O2 CAC B 201 mPRO.A 76 19.22 43.08 32.29 18.54 42.40 32.02 19.72 45.23 31.19 18.66 45.65 31.67 20.13 43.77 31.37 20.01 42.94 30.09 3 0 24.89-999 ?-999 ?-999 ? O2 CAC B 201 mPRO.A 77 20.54 46.03 30.49 21.37 45.59 30.15 18.83 47.60 29.60 18.37 46.70 28.90 20.19 47.44 30.28 21.33 47.94 29.41 3 0 26.91-999 ?-999 ?-999 ? O2 CAC B 201 mASN.A 78 18.18 48.74 29.81 18.65 49.38 30.43 15.90 47.84 29.30 15.23 47.49 28.33 16.89 49.01 29.18 17.10 49.32 27.70 2 0 26.13-999 ?-999 ?-999 ? O2 CAC B 201 mTHR^A 79 15.82 47.23 30.48 16.42 47.59 31.19 14.16 46.28 31.99 14.73 46.75 32.96 14.89 46.12 30.67 15.62 44.75 30.68 2 0 22.59-999 ?-999 ?-999 ? O2 CAC B 201 mALA^A 80 12.89 45.88 32.00 12.57 45.52 31.13 11.67 44.58 33.66 10.93 43.88 32.97 12.05 45.97 33.18 10.79 46.75 32.85 2 0 19.23-999 ?-999 ?-999 ? O2 CAC B 201 mTYR^A 81 12.18 44.18 34.82 12.77 44.85 35.26 10.72 43.00 36.37 10.79 43.78 37.32 11.87 42.87 35.38 13.10 42.27 36.08 3 0 16.25-999 ?-999 ?-999 ? O2 CAC B 201 mGLN^A 82 9.67 42.22 36.14 9.76 41.63 35.35 8.29 40.94 37.74 8.59 39.86 37.23 8.50 42.25 36.99 7.25 42.54 36.16 2 0 12.85-999 ?-999 ?-999 ? O2 CAC B 201 mTYR^A 83 7.78 41.05 38.96 7.61 41.99 39.25 6.39 40.23 40.77 6.14 41.40 41.08 7.50 39.89 39.79 8.76 39.44 40.53 3 0 9.37-999 ?-999 ?-999 ? O2 CAC B 201 mTHR^A 84 5.73 39.20 41.27 6.02 38.30 40.95 4.83 38.54 43.44 5.24 37.38 43.34 4.65 39.41 42.20 3.30 39.08 41.54 2 0 5.89-999 ?-999 ?-999 ? O2 CAC B 201 mSER^A 85 4.54 39.12 44.59 4.27 40.08 44.52 3.47 38.94 46.70 2.54 39.51 46.16 4.62 38.40 45.86 5.95 38.65 46.55 2 0 4.23-999 ?-999 ?-999 ? O2 CAC B 201 mGLY^A 86 3.53 38.78 48.01 4.34 38.31 48.36 2.79 39.31 50.31 3.89 38.92 50.72 2.45 39.28 48.84-999.99-999.99-999.99 1 0 4.34-999 ?-999 ?-999 ? O1 CAC B 201 mTHR^A 87 1.85 39.77 51.12 1.01 40.07 50.67 0.73 39.88 53.26 -0.27 40.30 52.68 2.07 39.83 52.55 2.88 41.08 52.95 2 0 6.72-999 ?-999 ?-999 ? O1 CAC B 201 mVAL^A 88 0.72 39.45 54.52 1.61 39.14 54.86 -0.39 40.47 56.46 0.54 40.41 57.26 -0.50 39.45 55.33 -0.74 38.06 55.97 3 0 8.48-999 ?-999 ?-999 ? O1 CAC B 201 mLEU^A 89 -1.32 41.42 56.52 -2.02 41.37 55.81 -2.35 42.16 58.63 -3.38 41.55 58.33 -1.29 42.42 57.58 -1.52 43.83 57.02 3 0 11.63-999 ?-999 ?-999 ? O1 CAC B 201 mASP.A 90 -2.12 42.63 59.85 -1.24 43.09 59.97 -4.08 43.65 60.92 -4.99 43.69 61.74 -3.11 42.47 60.91 -2.45 42.29 62.29 2 0 14.84-999 ?-999 ?-999 ? O1 CAC B 201 mTHR.A 91 -3.87 44.60 60.01 -3.07 44.43 59.45 -5.04 45.97 58.37 -4.23 45.58 57.54 -4.76 45.77 59.86 -4.11 47.08 60.42 2 0 15.73-999 ?-999 ?-999 ? O1 CAC B 201 mPRO.A 92 -6.20 46.54 58.01 -6.79 46.81 58.78 -5.73 47.84 55.90 -5.92 48.10 54.71 -6.55 46.77 56.61 -8.04 47.12 56.68 3 0 14.49-999 ?-999 ?-999 ? O1 CAC B 201 mPHE^A 93 -4.83 48.47 56.65 -4.81 48.19 57.60 -2.56 49.30 56.61 -2.38 48.90 57.76 -3.96 49.49 56.08 -4.42 50.90 56.44 3 0 15.40-999 ?-999 ?-999 ? O1 CAC B 201 mGLY^A 94 -1.58 49.62 55.78 -1.87 49.94 54.88 0.72 50.06 55.12 0.26 50.46 54.04 -0.19 49.49 56.18-999.99-999.99-999.99 1 0 15.20-999 ?-999 ?-999 ? O1 CAC B 201 mILE^A 95 2.01 50.09 55.41 2.23 49.71 56.31 4.23 49.70 54.34 4.62 48.99 55.27 3.01 50.63 54.49 3.52 52.00 54.98 3 0 15.75-999 ?-999 ?-999 ? O1 CAC B 201 mMETA 96 4.82 49.71 53.15 4.38 50.30 52.48 7.09 49.75 52.22 6.79 50.66 51.44 6.00 48.90 52.89 5.66 47.71 51.98 2 0 14.74-999 ?-999 ?-999 ? O1 CAC B 201 mTYR^A 97 8.34 49.45 52.53 8.43 48.72 53.20 10.73 49.34 52.22 10.69 48.40 53.02 9.47 50.15 51.93 9.59 51.59 52.47 3 0 17.27-999 ?-999 ?-999 ? O1 CAC B 201 mGLY^A 98 11.84 49.68 51.58 11.75 50.45 50.95 14.08 49.11 50.69 14.11 50.13 50.00 13.07 48.95 51.81-999.99-999.99-999.99 1 0 18.71-999 ?-999 ?-999 ? O2 CAC B 201 mTHR^A 99 14.93 48.10 50.50 14.80 47.32 51.13 16.26 46.77 48.90 15.97 45.75 49.52 15.94 48.15 49.47 17.26 48.74 49.99 2 0 19.55-999 ?-999 ?-999 ? O2 CAC B 201 mTYR^A 100 16.84 46.77 47.71 16.97 47.69 47.33 18.77 45.65 46.95 19.31 46.69 46.57 17.26 45.56 47.03 16.69 45.51 45.61 3 0 18.79-999 ?-999 ?-999 ? O2 CAC B 201 mGLY^A 101 19.46 44.58 47.31 18.92 43.80 47.62 21.32 44.22 45.81 21.24 43.05 45.44 20.91 44.60 47.22-999.99-999.99-999.99 1 0 21.61-999 ?-999 ?-999 ? O2 CAC B 201 mMETA 102 21.72 45.20 45.01 21.73 46.10 45.43 23.63 44.77 43.45 24.42 45.27 44.25 22.12 44.93 43.62 21.68 46.08 42.70 2 0 22.86-999 ?-999 ?-999 ? O2 CAC B 201 mVAL^A 103 24.02 44.08 42.38 23.27 43.69 41.85 25.49 44.05 40.52 24.65 43.50 39.80 25.42 43.91 42.04 25.99 42.52 42.47 3 0 25.74-999 ?-999 ?-999 ? O2 CAC B 201 mSER^A 104 26.47 44.81 40.04 27.08 45.20 40.73 27.55 44.05 37.94 28.31 43.34 38.61 26.61 45.04 38.61 27.13 46.46 38.35 2 0 27.87-999 ?-999 ?-999 ? O2 CAC B 201 mGLU.A 105 27.48 44.01 36.62 26.80 44.62 36.22 29.78 43.36 36.24 30.57 42.42 36.32 28.33 43.13 35.81 28.17 43.48 34.33 2 0 29.70-999 ?-999 ?-999 ? O2 CAC B 201 mSER.A 106 30.12 44.62 36.50 29.37 45.28 36.40 31.79 44.52 38.33 32.91 44.72 38.81 31.47 44.99 36.91 31.67 46.51 36.81 2 0 32.75-999 ?-999 ?-999 ? O2 CAC B 201 mGLY.A 107 30.81 43.90 38.99 29.95 43.83 38.48 30.71 44.35 41.47 30.73 43.96 42.64 31.01 43.40 40.33-999.99-999.99-999.99 1 0 31.17-999 ?-999 ?-999 ? O2 CAC B 201 mGLU.A 108 30.41 45.61 41.15 30.40 45.80 40.17 28.74 46.42 42.81 27.75 46.17 42.12 30.12 46.59 42.18 30.26 48.01 41.63 2 0 31.01-999 ?-999 ?-999 ? O2 CAC B 201 mHIS^A 109 28.70 46.56 44.13 29.59 46.77 44.54 26.83 47.77 45.24 27.51 48.70 45.68 27.47 46.42 44.91 27.77 45.68 46.21 3 0 28.30-999 ?-999 ?-999 ? O2 CAC B 201 mPHE^A 110 25.52 47.87 45.05 25.10 47.04 44.68 23.36 48.76 45.72 22.94 47.61 45.59 24.80 49.09 45.37 24.84 50.08 44.19 3 0 27.03-999 ?-999 ?-999 ? O2 CAC B 201 mASN^A 111 22.60 49.75 46.16 23.05 50.64 46.21 20.19 50.22 45.68 20.40 51.36 45.27 21.22 49.51 46.54 21.00 49.90 48.00 2 0 24.21-999 ?-999 ?-999 ? O2 CAC B 201 mALA^A 112 19.09 49.53 45.41 19.11 48.60 45.77 16.93 50.37 45.71 16.46 49.45 46.39 17.98 50.08 44.65 17.45 49.05 43.65 2 0 21.96-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 113 16.59 51.64 45.89 17.05 52.28 45.28 14.20 51.71 46.47 13.83 51.87 45.30 15.62 52.03 46.90 15.70 53.53 47.21 3 0 21.65-999 ?-999 ?-999 ? O2 CAC B 201 mILE^A 114 13.40 51.26 47.43 13.85 51.16 48.32 11.21 51.95 48.05 11.08 51.77 49.26 12.01 50.95 47.20 11.67 49.51 47.64 3 0 18.57-999 ?-999 ?-999 ? O2 CAC B 201 mLYS^A 115 10.71 52.99 47.40 10.90 53.00 46.42 8.76 53.44 48.82 8.22 52.41 48.43 9.94 54.03 48.08 9.43 55.07 47.08 2 0 20.04-999 ?-999 ?-999 ? O1 CAC B 201 mPRO^A 116 8.34 54.10 49.91 8.84 54.93 50.16 5.91 53.59 49.82 5.62 54.56 49.11 7.19 53.57 50.65 7.12 54.49 51.88 3 0 18.57-999 ?-999 ?-999 ? O1 CAC B 201 mPHE^A 117 5.15 52.50 49.90 5.53 51.78 50.48 2.88 51.77 50.17 3.26 51.03 51.08 3.88 52.39 49.19 4.03 51.53 47.91 3 0 16.01-999 ?-999 ?-999 ? O1 CAC B 201 mARG^A 118 1.61 52.08 49.97 1.45 52.66 49.17 -0.08 50.29 50.49 0.07 49.78 49.37 0.54 51.62 50.84 -0.57 52.67 50.86 2 0 14.88-999 ?-999 ?-999 ? O1 CAC B 201 mLEU^A 119 -0.77 49.74 51.47 -0.74 50.26 52.32 -2.83 48.90 51.97 -2.85 49.32 53.12 -1.51 48.50 51.33 -0.84 47.37 52.12 3 0 11.98-999 ?-999 ?-999 ? O1 CAC B 201 mALA^A 120 -3.92 48.83 51.23 -3.79 48.50 50.30 -6.36 48.49 51.17 -6.39 48.28 49.95 -5.20 49.21 51.81 -5.39 50.74 51.69 2 0 13.47-999 ?-999 ?-999 ? O1 CAC B 201 mTHR.A 121 -7.32 48.08 52.00 -7.16 48.28 52.97 -9.27 48.49 50.79 -9.36 49.60 51.28 -8.49 47.40 51.50 -9.33 46.80 52.64 2 0 13.30-999 ?-999 ?-999 ? O1 CAC B 201 mPRO.A 122 -9.85 48.18 49.62 -9.72 47.24 49.31 -11.65 49.97 49.72 -12.32 49.40 50.59 -10.60 49.21 48.90 -11.21 48.44 47.74 3 0 15.39-999 ?-999 ?-999 ? O1 CAC B 201 mGLY.A 123 -11.76 51.27 49.43 -11.13 51.60 48.73 -12.63 52.20 51.61 -13.64 52.36 52.30 -12.73 52.12 50.10-999.99-999.99-999.99 1 0 19.12-999 ?-999 ?-999 ? O1 CAC B 201 mLEU.A 124 -11.42 52.08 52.13 -10.69 51.94 51.46 -11.51 53.60 53.99 -12.05 53.84 55.07 -11.20 52.16 53.56 -9.74 51.82 53.87 3 0 19.13-999 ?-999 ?-999 ? O1 CAC B 201 mLEU.A 125 -11.20 54.54 53.10 -10.78 54.19 52.27 -12.46 56.43 52.31 -12.27 56.22 51.12 -11.45 55.95 53.35 -10.14 56.73 53.22 3 0 22.26-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 126 -13.55 57.06 52.75 -13.61 57.19 53.74 -14.00 58.50 50.77 -13.05 59.24 51.03 -14.56 57.51 51.79 -15.80 58.08 52.51 3 0 24.77-999 ?-999 ?-999 ? O1 CAC B 201 mLEU.A 127 -14.60 58.47 49.59 -15.36 57.83 49.55 -14.46 60.80 48.72 -15.48 61.17 49.29 -14.19 59.31 48.47 -14.95 58.84 47.23 3 0 25.70-999 ?-999 ?-999 ? O1 CAC B 201 mGLU.A 128 -13.52 61.64 48.29 -12.72 61.19 47.88 -14.26 63.61 47.09 -13.98 63.07 46.03 -13.67 63.09 48.40 -12.32 63.77 48.67 2 0 28.76-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 129 -15.06 64.66 47.16 -15.19 65.05 48.08 -15.38 66.60 45.56 -15.46 67.52 46.36 -15.70 65.17 45.96 -17.21 64.99 46.08 3 0 31.53-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 130 -15.03 66.76 44.28 -15.00 65.90 43.77 -15.69 68.31 42.54 -16.23 67.36 41.97 -14.71 68.06 43.69 -13.29 68.06 43.11 3 0 33.86-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 131 -15.93 69.57 42.22 -15.44 70.24 42.77 -16.46 71.27 40.53 -15.95 72.14 41.23 -16.83 69.91 41.12 -18.28 69.92 41.60 3 0 36.75-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 132 -16.70 71.43 39.23 -17.10 70.63 38.78 -17.30 73.77 39.18 -18.52 73.70 39.09 -16.42 72.69 38.55 -16.72 72.55 37.06 3 0 39.55-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 133 -16.67 74.75 39.83 -15.67 74.68 39.82 -18.02 76.82 39.52 -17.73 76.79 38.32 -17.41 75.82 40.49 -16.50 76.57 41.47 3 0 42.40-999 ?-999 ?-999 ? O1 CAC B 201 mHIS.A 134 -18.87 77.69 40.04 -19.01 77.58 41.03 -20.59 78.15 38.32 -21.74 78.64 38.36 -19.53 78.73 39.25 -18.48 79.53 38.46 3 0 46.07-999 ?-999 ?-999 ? O1 CAC B 201 mALA.B 3 -29.03 20.03 41.91 -29.02 19.51 41.05 -28.29 20.06 44.30 -27.63 20.68 45.15 -29.03 20.81 43.19 -30.47 21.10 43.62 2 0 31.21-999 ?-999 ?-999 ? C1 CAC B 201 mLEU.B 4 -28.40 18.74 44.29 -28.97 18.39 43.54 -26.24 18.07 45.28 -25.67 18.68 44.38 -27.75 17.87 45.27 -28.08 16.41 44.96 3 0 31.33-999 ?-999 ?-999 ? C1 CAC B 201 mASP.B 5 -25.58 17.54 46.31 -26.15 17.08 46.99 -23.53 16.89 45.22 -24.25 16.20 44.49 -24.14 17.66 46.40 -23.64 17.09 47.72 2 0 28.41-999 ?-999 ?-999 ? C1 CAC B 201 mASN.B 6 -22.22 17.01 45.04 -21.77 17.58 45.72 -21.80 17.06 42.62 -21.16 16.77 41.62 -21.53 16.35 43.94 -21.95 14.87 43.81 2 0 27.32-999 ?-999 ?-999 ? C1 CAC B 201 mSER.B 7 -22.76 17.98 42.62 -23.22 18.12 43.50 -22.04 19.80 41.19 -21.97 20.43 40.13 -23.09 18.73 41.40 -24.48 19.37 41.51 2 0 27.46-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 8 -21.22 20.01 42.21 -21.41 19.43 43.01 -18.79 20.29 42.37 -18.58 19.62 43.38 -20.14 20.99 42.17 -20.28 22.04 43.29 3 0 23.66-999 ?-999 ?-999 ? C1 CAC B 201 mARG^B 9 -17.89 20.45 41.41 -18.20 21.02 40.64 -15.53 20.95 41.73 -15.54 21.99 41.05 -16.57 19.85 41.49 -16.24 19.11 40.20 2 0 21.79-999 ?-999 ?-999 ? C1 CAC B 201 mVAL^B 10 -14.63 20.72 42.68 -14.73 19.84 43.15 -12.22 21.15 42.65 -11.82 20.11 43.17 -13.60 21.69 43.00 -13.63 22.06 44.50 3 0 18.12-999 ?-999 ?-999 ? C1 CAC B 201 mGLU^B 11 -11.51 21.85 41.79 -11.97 22.68 41.46 -9.16 22.46 41.92 -9.44 23.65 42.00 -10.17 21.45 41.37 -10.11 21.40 39.84 2 0 16.60-999 ?-999 ?-999 ? C1 CAC B 201 mVAL^B 12 -7.98 21.98 42.32 -7.84 21.00 42.18 -5.55 22.73 42.45 -5.05 21.63 42.20 -7.00 22.86 42.92 -7.00 22.70 44.46 3 0 13.40-999 ?-999 ?-999 ? C1 CAC B 201 mLYS^B 13 -4.89 23.88 42.35 -5.46 24.68 42.56 -2.87 25.00 42.96 -3.53 25.96 43.39 -3.48 24.00 41.98 -3.33 24.52 40.54 2 0 11.57-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 14 -1.61 24.78 43.33 -1.18 23.98 42.91 0.44 26.03 43.78 0.95 25.46 42.82 -0.95 25.67 44.27 -0.80 25.02 45.67 2 0 8.95-999 ?-999 ?-999 ? C1 CAC B 201 mGLU^B 15 1.05 26.99 44.45 0.53 27.38 45.21 3.08 28.14 45.23 2.56 29.12 45.78 2.38 27.41 44.08 2.31 28.31 42.85 2 0 8.13-999 ?-999 ?-999 ? C1 CAC B 201 mTYR^B 16 4.26 27.63 45.59 4.53 26.81 45.08 5.53 29.55 46.06 6.18 29.58 45.01 5.06 28.23 46.64 6.26 27.35 46.97 3 0 8.61-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 17 5.20 30.64 46.73 4.70 30.50 47.58 6.89 32.52 46.70 7.74 32.87 45.88 5.57 31.95 46.22 4.48 32.98 46.50 3 0 5.99-999 ?-999 ?-999 ? O2 CAC B 201 mGLU^B 18 7.05 32.62 48.02 6.30 32.26 48.57 8.41 33.04 50.09 7.41 33.10 50.83 8.26 33.22 48.57 8.25 34.72 48.22 2 0 8.19-999 ?-999 ?-999 ? O2 CAC B 201 mGLN^B 19 9.64 32.85 50.55 10.35 32.81 49.84 10.07 34.06 52.65 10.85 34.89 52.19 9.91 32.69 51.98 11.19 31.87 52.22 2 0 11.36-999 ?-999 ?-999 ? O2 CAC B 201 mGLN.B 20 9.33 34.29 53.73 8.74 33.53 53.99 10.17 35.45 55.76 9.56 35.38 56.83 9.41 35.56 54.44 8.01 36.10 54.72 2 0 12.17-999 ?-999 ?-999 ? O2 CAC B 201 mSER.B 21 11.50 35.45 55.67 11.85 35.53 54.74 12.34 36.63 57.67 12.66 37.69 57.16 12.36 35.34 56.85 13.80 35.04 56.44 2 0 15.96-999 ?-999 ?-999 ? O2 CAC B 201 mSER.B 22 11.96 36.51 58.94 11.74 35.58 59.22 13.02 37.62 60.85 13.91 36.79 60.76 11.90 37.66 59.82 10.54 37.70 60.53 2 0 17.98-999 ?-999 ?-999 ? O2 CAC B 201 mGLU.B 26 10.49 32.28 60.58 10.63 32.42 61.56 8.81 31.85 58.81 8.07 31.20 59.55 10.28 32.07 59.15 11.12 30.88 58.66 2 0 16.88-999 ?-999 ?-999 ? O2 CAC B 201 mLYS.B 27 8.39 32.41 57.67 9.11 32.91 57.19 7.10 31.89 55.71 8.10 32.16 55.04 7.02 32.29 57.18 6.29 33.63 57.28 2 0 13.34-999 ?-999 ?-999 ? C1 CAC B 201 mTYR^B 28 6.06 31.25 55.20 5.30 31.08 55.83 4.78 31.16 53.09 3.71 30.71 53.49 6.08 30.83 53.80 6.37 29.33 53.71 3 0 10.62-999 ?-999 ?-999 ? C1 CAC B 201 mLEU^B 29 4.88 31.96 52.03 5.82 32.24 51.81 3.41 31.44 50.10 4.27 31.18 49.26 3.70 32.38 51.26 3.89 33.80 50.72 3 0 6.84-999 ?-999 ?-999 ? C1 CAC B 201 mPHE^B 30 2.17 30.95 50.06 1.59 31.25 50.81 0.53 30.72 48.30 -0.17 31.53 48.91 1.72 30.07 48.99 1.26 28.73 49.56 3 0 -5.52-999 ?-999 ?-999 ? C1 CAC B 201s mSER^B 31 0.31 30.36 47.04 0.98 29.73 46.66 -1.60 29.62 45.88 -1.01 28.55 45.74 -0.84 30.87 46.31 -0.41 31.62 45.05 2 0 -3.43-999 ?-999 ?-999 ? C1 CAC B 201s mTYR^B 32 -2.91 29.74 45.72 -3.28 30.65 45.91 -4.77 29.11 44.33 -5.41 30.13 44.57 -3.71 28.61 45.28 -4.32 27.86 46.48 3 0 6.40-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 33 -4.91 28.41 43.22 -4.30 27.62 43.17 -6.91 27.65 42.15 -6.61 26.48 41.88 -5.87 28.75 42.18 -5.16 28.84 40.80 2 0 8.62-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 34 -8.15 28.03 42.45 -8.25 29.01 42.62 -10.24 27.28 41.36 -10.60 28.40 41.01 -9.24 27.09 42.50 -9.97 27.23 43.86 3 0 11.66-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 35 -10.65 26.17 40.76 -10.23 25.33 41.10 -12.85 25.48 40.23 -12.78 24.30 40.59 -11.63 26.20 39.68 -11.15 25.46 38.41 2 0 14.76-999 ?-999 ?-999 ? C2 CAC B 201 mILE^B 36 -13.96 26.21 40.32 -13.85 27.16 40.01 -16.10 25.43 39.60 -16.52 26.37 38.92 -15.20 25.66 40.82 -15.85 26.63 41.83 3 0 17.41-999 ?-999 ?-999 ? C2 CAC B 201 mILE^B 37 -16.36 24.16 39.31 -15.96 23.50 39.94 -18.53 23.26 38.57 -18.64 22.39 39.44 -17.17 23.81 38.15 -16.40 22.78 37.27 3 0 20.69-999 ?-999 ?-999 ? C2 CAC B 201 mASN^B 38 -19.58 23.79 37.94 -19.35 24.49 37.27 -21.48 22.48 37.14 -21.68 22.93 36.01 -20.94 23.37 38.25 -21.83 24.60 38.43 2 0 23.84-999 ?-999 ?-999 ? C2 CAC B 201 mLEU.B 39 -21.72 21.22 37.47 -21.53 21.00 38.43 -23.67 19.90 36.76 -24.19 18.92 36.22 -22.22 20.27 36.49 -21.34 19.01 36.53 3 0 27.07-999 ?-999 ?-999 ? C2 CAC B 201 mGLY.B 40 -24.33 20.71 37.59 -23.81 21.48 37.95 -26.72 21.04 36.94 -26.33 21.70 35.97 -25.73 20.45 37.92-999.99-999.99-999.99 1 0 29.36-999 ?-999 ?-999 ? C2 CAC B 201 mGLU.B 41 -28.00 20.80 37.19 -28.16 20.26 38.01 -29.25 22.80 36.39 -29.42 23.46 35.37 -29.07 21.29 36.32 -30.39 20.61 36.67 2 0 32.12-999 ?-999 ?-999 ? C2 CAC B 201 mGLN.B 42 -29.21 23.35 37.60 -29.06 22.70 38.34 -28.10 25.51 38.24 -27.08 24.89 38.55 -29.37 24.79 37.79 -30.50 25.04 38.79 2 0 30.59-999 ?-999 ?-999 ? C2 CAC B 201 mALA.B 43 -28.15 26.83 38.25 -29.03 27.22 37.95 -26.87 27.58 40.19 -27.83 27.27 40.90 -27.01 27.63 38.66 -27.20 29.08 38.19 2 0 27.27-999 ?-999 ?-999 ? C2 CAC B 201 mALA^B 44 -25.67 27.87 40.69 -24.98 28.09 40.00 -24.53 29.06 42.47 -23.67 29.45 41.68 -25.42 27.87 42.13 -24.74 26.56 42.56 2 0 25.17-999 ?-999 ?-999 ? C2 CAC B 201 mLYS^B 45 -24.74 29.62 43.65 -25.46 29.19 44.20 -23.08 30.43 45.25 -23.50 29.72 46.17 -23.98 30.78 44.07 -24.94 31.91 44.44 2 0 22.87-999 ?-999 ?-999 ? C2 CAC B 201 mLEU^B 46 -21.85 30.90 45.21 -21.61 31.43 44.39 -21.13 31.81 47.29 -20.82 32.96 46.98 -20.93 30.65 46.31 -19.49 30.59 45.80 3 0 20.05-999 ?-999 ?-999 ? C2 CAC B 201 mGLU^B 47 -21.65 31.51 48.48 -21.84 30.54 48.62 -20.86 32.66 50.58 -20.58 33.76 51.07 -21.90 32.55 49.47 -23.28 32.33 50.09 2 0 21.05-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 48 -20.31 31.52 50.98 -20.63 30.70 50.51 -18.20 30.53 51.78 -18.30 29.70 50.87 -19.31 31.53 52.04 -19.93 31.17 53.41 2 0 19.16-999 ?-999 ?-999 ? C1 CAC B 201 mARG^B 49 -17.15 30.62 52.59 -17.21 31.36 53.25 -15.63 29.30 53.91 -15.90 30.03 54.87 -16.02 29.70 52.49 -14.83 30.37 51.80 2 0 16.63-999 ?-999 ?-999 ? C1 CAC B 201 mHIS^B 50 -15.01 28.14 54.03 -14.87 27.65 53.17 -13.32 26.81 55.15 -13.37 25.62 54.79 -14.58 27.64 55.33 -15.70 26.82 55.99 3 0 17.29-999 ?-999 ?-999 ? C1 CAC B 201 mTRP^B 51 -12.19 27.45 55.40 -12.32 28.40 55.69 -10.34 26.29 56.60 -10.58 26.84 57.67 -10.89 26.83 55.28 -9.89 27.85 54.73 3 0 14.95-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 52 -9.60 25.20 56.49 -9.52 24.84 55.56 -7.53 24.32 57.16 -7.28 23.49 56.28 -8.96 24.59 57.64 -9.72 23.32 58.08 3 0 16.54-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 53 -6.59 25.06 57.73 -6.92 25.68 58.44 -4.37 24.34 58.44 -4.52 24.68 59.61 -5.20 24.96 57.33 -4.68 26.37 56.97 3 0 14.66-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 54 -3.48 23.43 58.05 -3.46 23.27 57.06 -1.19 22.70 58.52 -0.93 22.24 57.41 -2.63 22.73 59.01 -3.11 21.28 59.21 2 0 16.88-999 ?-999 ?-999 ? C1 CAC B 201 mASP^B 55 -0.26 23.18 59.34 -0.61 23.53 60.21 1.89 21.95 59.42 1.32 21.10 60.12 1.14 23.19 58.96 1.85 24.45 59.49 2 0 16.62-999 ?-999 ?-999 ? C1 CAC B 201 mALA.B 56 3.16 21.86 59.05 3.47 22.64 58.51 4.14 20.43 60.88 4.45 19.31 61.26 4.01 20.72 59.38 5.39 20.93 58.78 2 0 19.20-999 ?-999 ?-999 ? C1 CAC B 201 mASN.B 57 3.88 21.44 61.71 3.60 22.29 61.26 2.70 20.87 63.83 2.68 20.61 65.04 3.99 21.31 63.17 4.44 22.64 63.78 2 0 21.51-999 ?-999 ?-999 ? C1 CAC B 201 mGLY.B 58 1.63 20.78 63.07 1.76 21.01 62.10 -0.48 21.56 64.08 -1.58 21.38 64.62 0.37 20.38 63.65-999.99-999.99-999.99 1 0 21.91-999 ?-999 ?-999 ? C1 CAC B 201 mLYS.B 59 0.04 22.76 63.86 0.95 22.76 63.44 -1.76 24.23 63.17 -1.48 24.30 61.97 -0.69 23.98 64.22 0.27 25.17 64.30 2 0 20.26-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 60 -3.00 24.38 63.62 -3.08 24.35 64.62 -4.83 25.92 62.91 -4.97 26.41 64.03 -4.12 24.58 62.73 -5.16 23.47 62.94 2 0 18.91-999 ?-999 ?-999 ? C1 CAC B 201 mSER^B 61 -5.29 26.48 61.78 -5.07 25.96 60.96 -7.24 27.61 60.83 -7.24 26.78 59.92 -6.03 27.74 61.77 -5.14 28.90 61.32 2 0 17.09-999 ?-999 ?-999 ? C1 CAC B 201 mGLU^B 62 -8.26 28.42 61.07 -8.12 29.04 61.85 -9.89 29.79 59.77 -9.68 30.80 60.44 -9.48 28.41 60.26 -10.64 27.81 61.05 2 0 16.93-999 ?-999 ?-999 ? C1 CAC B 201 mVAL^B 63 -10.49 29.81 58.59 -10.59 28.92 58.15 -12.36 30.81 57.49 -12.60 29.90 56.68 -10.95 31.05 58.00 -10.05 31.50 56.81 3 0 15.29-999 ?-999 ?-999 ? C1 CAC B 201 mGLN^B 64 -13.30 31.60 58.01 -12.95 32.25 58.68 -15.03 32.94 57.13 -14.74 33.92 57.82 -14.70 31.53 57.62 -15.56 31.16 58.83 2 0 17.61-999 ?-999 ?-999 ? C1 CAC B 201 mGLY^B 65 -15.63 33.06 55.95 -15.82 32.20 55.47 -16.95 34.38 54.30 -17.36 33.32 53.82 -15.95 34.38 55.44-999.99-999.99-999.99 1 0 17.21-999 ?-999 ?-999 ? C1 CAC B 201 mALA^B 66 -17.34 35.57 53.87 -16.93 36.34 54.36 -17.58 35.65 51.44 -16.58 36.33 51.23 -18.30 35.71 52.78 -19.06 37.03 52.90 2 0 18.24-999 ?-999 ?-999 ? O1 CAC B 201 mGLY.B 67 -18.11 34.83 50.53 -18.92 34.32 50.84 -16.07 34.31 49.20 -15.55 33.84 50.20 -17.53 34.69 49.21-999.99-999.99-999.99 1 0 16.58-999 ?-999 ?-999 ? C2 CAC B 201 mVAL.B 68 -15.43 34.50 48.05 -16.01 34.86 47.32 -13.42 35.44 47.19 -14.02 36.00 46.28 -14.01 34.21 47.87 -13.78 32.97 46.97 3 0 12.90-999 ?-999 ?-999 ? C2 CAC B 201 mVAL.B 69 -12.23 35.84 47.64 -11.85 35.25 48.36 -12.52 38.21 46.97 -12.45 38.95 45.99 -11.56 37.02 47.13 -10.81 36.74 45.79 3 0 10.25-999 ?-999 ?-999 ? C2 CAC B 201 mGLY.B 70 -13.43 38.35 47.93 -13.40 37.64 48.64 -15.61 39.38 47.09 -16.42 40.31 47.09 -14.37 39.46 47.95-999.99-999.99-999.99 1 0 13.55-999 ?-999 ?-999 ? O1 CAC B 201 mGLU.B 71 -15.79 38.27 46.40 -15.07 37.58 46.53 -17.78 36.84 45.83 -17.29 35.85 46.35 -16.93 38.08 45.51 -16.41 38.02 44.07 2 0 15.38-999 ?-999 ?-999 ? C2 CAC B 201 mTHR.B 72 -19.08 36.93 45.53 -19.34 37.83 45.16 -20.52 35.49 44.33 -21.66 35.78 43.97 -20.01 35.83 45.72 -21.22 36.24 46.60 2 0 18.34-999 ?-999 ?-999 ? C2 CAC B 201 mPRO.B 73 -19.67 34.86 43.51 -18.77 34.67 43.91 -21.19 33.52 41.99 -21.42 32.65 42.85 -20.05 34.51 42.14 -18.75 33.97 41.55 3 0 18.53-999 ?-999 ?-999 ? C2 CAC B 201 mTHR^B 74 -21.93 33.68 40.90 -21.65 34.46 40.34 -22.43 32.02 39.40 -21.96 32.61 38.42 -23.03 32.81 40.55 -24.25 33.60 40.04 2 0 21.89-999 ?-999 ?-999 ? C2 CAC B 201 mILE^B 75 -22.43 30.70 39.53 -22.84 30.36 40.37 -22.97 29.09 37.77 -23.52 28.12 38.29 -21.86 29.84 38.50 -20.90 28.82 39.11 3 0 21.89-999 ?-999 ?-999 ? C2 CAC B 201 mPRO.B 76 -23.31 29.53 36.54 -22.79 30.33 36.23 -24.00 27.42 35.48 -22.85 27.01 35.66 -24.36 28.88 35.75 -24.39 29.71 34.47 3 0 25.28-999 ?-999 ?-999 ? C2 CAC B 201 mPRO.B 77 -24.98 26.62 35.05 -25.87 27.06 34.94 -23.62 25.05 33.72 -23.45 25.91 32.85 -24.73 25.21 34.76 -26.07 24.71 34.25 3 0 27.21-999 ?-999 ?-999 ? C2 CAC B 201 mASN.B 78 -22.87 23.96 33.82 -23.11 23.37 34.59 -20.82 24.84 32.75 -20.25 25.07 31.68 -21.80 23.68 32.88 -22.38 23.34 31.50 2 0 26.26-999 ?-999 ?-999 ? C2 CAC B 201 mTHR^B 79 -20.64 25.59 33.83 -21.17 25.32 34.63 -18.67 26.57 34.91 -18.94 25.97 35.94 -19.71 26.72 33.81 -20.45 28.07 34.00 2 0 22.88-999 ?-999 ?-999 ? C2 CAC B 201 mALA^B 80 -17.48 27.10 34.67 -17.39 27.55 33.79 -15.94 28.38 36.11 -15.67 29.26 35.28 -16.40 27.00 35.65 -15.24 26.23 35.06 2 0 19.35-999 ?-999 ?-999 ? C2 CAC B 201 mTYR^B 81 -15.86 28.57 37.42 -16.13 27.78 37.97 -14.02 29.65 38.61 -13.84 28.82 39.49 -15.41 29.84 38.00 -16.39 30.31 39.08 3 0 16.35-999 ?-999 ?-999 ? C2 CAC B 201 mGLN^B 82 -13.04 30.41 38.14 -13.32 31.06 37.43 -11.19 31.52 39.42 -11.53 32.65 39.06 -11.68 30.29 38.65 -10.71 30.00 37.51 2 0 12.87-999 ?-999 ?-999 ? C2 CAC B 201 mTYR^B 83 -10.40 31.30 40.46 -10.21 30.34 40.66 -8.58 32.03 41.95 -8.25 30.84 42.09 -9.88 32.41 41.24 -10.92 32.87 42.26 3 0 9.48-999 ?-999 ?-999 ? C2 CAC B 201 mTHR^B 84 -7.83 33.04 42.37 -8.20 33.95 42.19 -6.47 33.53 44.37 -6.93 34.67 44.49 -6.57 32.78 43.05 -5.37 33.16 42.15 2 0 6.02-999 ?-999 ?-999 ? C2 CAC B 201 mSER^B 85 -5.90 32.87 45.37 -5.64 31.93 45.15 -4.39 32.90 47.25 -3.54 32.42 46.50 -5.68 33.48 46.68 -6.86 33.21 47.62 2 0 -4.66-999 ?-999 ?-999 ? C1 CAC B 201s mGLY^B 86 -4.22 32.96 48.56 -4.96 33.37 49.09 -3.09 32.32 50.65 -4.11 32.66 51.24 -3.00 32.42 49.15-999.99-999.99-999.99 1 0 -3.56-999 ?-999 ?-999 ? C1 CAC B 201s mTHR^B 87 -2.03 31.82 51.25 -1.29 31.55 50.64 -0.51 31.71 53.09 0.36 31.34 52.30 -1.97 31.69 52.70 -2.59 30.36 53.19 2 0 6.53-999 ?-999 ?-999 ? C1 CAC B 201 mVAL^B 88 -0.25 32.16 54.31 -1.05 32.45 54.83 1.22 31.15 55.88 0.45 31.16 56.84 1.11 32.21 54.81 1.44 33.58 55.42 3 0 8.59-999 ?-999 ?-999 ? C1 CAC B 201 mLEU^B 89 2.16 30.23 55.71 2.70 30.35 54.88 3.61 29.44 57.51 4.46 30.25 57.13 2.38 29.16 56.68 2.58 27.81 55.98 3 0 11.67-999 ?-999 ?-999 ? C1 CAC B 201 mASP.B 90 3.71 28.77 58.65 2.94 28.17 58.85 5.89 27.87 59.11 7.05 27.93 59.52 4.87 28.93 59.51 4.48 28.74 60.98 2 0 15.05-999 ?-999 ?-999 ? C1 CAC B 201 mTHR.B 91 5.45 26.91 58.30 4.49 27.00 58.03 6.36 25.73 56.33 5.45 26.21 55.65 6.33 25.83 57.85 5.88 24.47 58.42 2 0 15.78-999 ?-999 ?-999 ? C1 CAC B 201 mPRO.B 92 7.41 25.10 55.78 8.08 24.76 56.43 6.56 24.00 53.67 6.63 23.75 52.46 7.53 24.96 54.32 9.00 24.57 54.14 3 0 14.76-999 ?-999 ?-999 ? C1 CAC B 201 mPHE^B 93 5.66 23.43 54.46 5.74 23.66 55.43 3.46 22.35 54.85 3.57 22.54 56.07 4.63 22.55 53.90 5.22 21.20 53.42 3 0 14.86-999 ?-999 ?-999 ? C1 CAC B 201 mGLY^B 94 2.32 22.00 54.28 2.34 21.91 53.28 0.03 21.16 54.26 0.21 20.83 53.09 1.14 21.77 55.08-999.99-999.99-999.99 1 0 15.17-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 95 -1.13 21.03 54.90 -1.11 21.33 55.85 -3.46 21.48 54.41 -3.61 22.14 55.44 -2.31 20.48 54.26 -2.71 19.11 54.88 3 0 15.73-999 ?-999 ?-999 ? C1 CAC B 201 mMETB 96 -4.28 21.58 53.37 -4.06 20.97 52.61 -6.63 21.84 52.76 -6.54 21.15 51.74 -5.39 22.51 53.37 -4.99 23.74 52.56 2 0 14.15-999 ?-999 ?-999 ? C1 CAC B 201 mTYR^B 97 -7.78 22.02 53.41 -7.69 22.57 54.24 -10.15 22.37 53.48 -9.87 23.28 54.25 -9.04 21.47 52.93 -9.22 20.01 53.40 3 0 16.27-999 ?-999 ?-999 ? C1 CAC B 201 mGLY^B 98 -11.40 22.14 53.08 -11.52 21.38 52.44 -13.78 22.81 52.83 -14.01 21.79 52.19 -12.47 22.98 53.58-999.99-999.99-999.99 1 0 17.41-999 ?-999 ?-999 ? C1 CAC B 201 mTHR^B 99 -14.65 23.82 52.92 -14.34 24.59 53.48 -16.43 25.15 51.83 -16.07 26.15 52.45 -15.94 23.77 52.24 -17.03 23.16 53.15 2 0 18.99-999 ?-999 ?-999 ? C1 CAC B 201 mTYR^B 100 -17.25 25.18 50.79 -17.41 24.29 50.37 -19.35 26.32 50.61 -19.94 25.24 50.49 -17.86 26.42 50.30 -17.70 26.57 48.79 3 0 18.85-999 ?-999 ?-999 ? C1 CAC B 201 mGLY^B 101 -19.96 27.44 50.99 -19.36 28.24 51.07 -22.11 27.86 50.01 -22.08 29.03 49.63 -21.38 27.45 51.28-999.99-999.99-999.99 1 0 21.87-999 ?-999 ?-999 ? C1 CAC B 201 mMETB 102 -22.75 26.91 49.36 -22.72 26.01 49.78 -24.96 27.41 48.30 -25.52 27.10 49.36 -23.46 27.20 48.11 -23.24 26.05 47.11 2 0 23.49-999 ?-999 ?-999 ? C1 CAC B 201 mVAL^B 103 -25.59 27.93 47.26 -24.99 28.15 46.49 -27.51 27.97 45.81 -27.06 28.65 44.88 -27.03 28.18 47.23 -27.38 29.61 47.68 3 0 26.64-999 ?-999 ?-999 ? C1 CAC B 201 mSER^B 104 -28.41 27.02 45.65 -28.68 26.56 46.50 -29.94 27.75 43.87 -30.41 28.56 44.65 -28.97 26.67 44.35 -29.69 25.33 44.44 2 0 28.82-999 ?-999 ?-999 ? C2 CAC B 201 mGLU.B 105 -30.22 27.74 42.56 -29.74 27.02 42.05 -32.49 28.59 42.65 -33.21 29.58 42.78 -31.14 28.69 41.96 -31.30 28.38 40.46 2 0 30.42-999 ?-999 ?-999 ? C2 CAC B 201 mSER.B 106 -32.84 27.39 43.10 -32.16 26.68 42.94 -34.05 27.55 45.24 -34.88 27.13 46.04 -34.11 27.16 43.77 -34.50 25.69 43.65 2 0 33.59-999 ?-999 ?-999 ? C2 CAC B 201 mGLY.B 107 -33.05 28.35 45.61 -32.43 28.62 44.88 -32.58 27.68 47.97 -32.91 27.76 49.15 -32.92 28.78 46.99-999.99-999.99-999.99 1 0 32.14-999 ?-999 ?-999 ? C2 CAC B 201 mGLU.B 108 -31.90 26.64 47.49 -31.70 26.69 46.51 -30.04 25.63 48.70 -29.18 25.66 47.82 -31.51 25.52 48.34 -31.76 24.20 47.64 2 0 31.69-999 ?-999 ?-999 ? C1 CAC B 201 mHIS^B 109 -29.74 25.68 49.99 -30.52 25.63 50.61 -27.67 24.44 50.57 -28.26 23.47 51.06 -28.35 25.79 50.42 -28.26 26.56 51.75 3 0 28.78-999 ?-999 ?-999 ? C1 CAC B 201 mPHE^B 110 -26.41 24.37 50.13 -26.07 25.22 49.73 -24.13 23.48 50.28 -23.72 24.59 49.95 -25.62 23.15 50.25 -25.92 22.18 49.10 3 0 27.15-999 ?-999 ?-999 ? C1 CAC B 201 mASN^B 111 -23.32 22.50 50.68 -23.78 21.65 50.91 -21.13 22.04 49.63 -21.43 20.92 49.25 -21.88 22.70 50.77 -21.38 22.14 52.10 2 0 24.12-999 ?-999 ?-999 ? C1 CAC B 201 mALA^B 112 -20.16 22.75 49.08 -20.05 23.67 49.45 -18.05 21.77 48.74 -17.49 22.53 49.52 -19.33 22.20 48.02 -19.03 23.26 46.97 2 0 21.90-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 113 -17.60 20.54 48.49 -18.15 20.02 47.83 -15.12 20.28 48.39 -15.01 20.01 47.20 -16.41 20.03 49.15 -16.52 18.52 49.40 3 0 21.04-999 ?-999 ?-999 ? C1 CAC B 201 mILE^B 114 -14.13 20.79 49.10 -14.35 21.00 50.06 -11.86 20.11 49.25 -11.43 20.40 50.37 -12.84 21.02 48.49 -12.49 22.54 48.54 3 0 17.78-999 ?-999 ?-999 ? C1 CAC B 201 mLYS^B 115 -11.59 18.96 48.63 -12.05 18.87 47.75 -9.33 18.42 49.62 -8.83 19.44 49.13 -10.70 17.93 49.18 -10.52 16.81 48.14 2 0 19.10-999 ?-999 ?-999 ? C1 CAC B 201 mPRO^B 116 -8.68 17.70 50.54 -9.18 16.88 50.86 -6.36 18.24 49.90 -6.36 17.47 48.93 -7.36 18.09 51.03 -6.98 16.94 51.97 3 0 17.86-999 ?-999 ?-999 ? C1 CAC B 201 mPHE^B 117 -5.51 19.25 50.00 -5.62 19.82 50.81 -3.23 19.95 49.68 -3.28 20.56 50.75 -4.49 19.46 49.00 -5.00 20.41 47.90 3 0 15.35-999 ?-999 ?-999 ? C1 CAC B 201 mARG^B 118 -2.10 19.66 49.06 -2.24 19.18 48.19 -0.25 21.38 49.32 -0.44 21.95 48.24 -0.78 19.99 49.59 0.23 18.97 49.04 2 0 14.55-999 ?-999 ?-999 ? C1 CAC B 201 mLEU^B 119 0.42 21.92 50.33 0.42 21.36 51.16 2.54 22.82 50.53 2.84 22.29 51.60 1.09 23.21 50.24 0.58 24.18 51.30 3 0 11.79-999 ?-999 ?-999 ? C1 CAC B 201 mALA^B 120 3.45 23.03 49.58 3.11 23.45 48.74 5.82 23.26 48.83 5.50 23.42 47.66 4.85 22.66 49.82 5.00 21.13 49.82 2 0 13.38-999 ?-999 ?-999 ? C1 CAC B 201 mTHR.B 121 7.01 23.58 49.32 7.13 23.40 50.30 8.46 23.05 47.50 8.38 21.87 47.83 8.06 24.15 48.47 9.30 24.55 49.28 2 0 13.74-999 ?-999 ?-999 ? C1 CAC B 201 mPRO.B 122 8.92 23.42 46.30 8.96 24.41 46.13 10.42 21.47 45.83 10.56 20.35 45.33 9.32 22.40 45.33 9.75 23.23 44.10 3 0 15.81-999 ?-999 ?-999 ? O2 CAC B 201 mGLY.B 123 11.19 21.91 46.82 10.97 22.83 47.15 11.83 20.07 48.40 12.56 19.13 48.71 12.25 21.08 47.34-999.99-999.99-999.99 1 0 18.64-999 ?-999 ?-999 ? O2 CAC B 201 mLEU.B 124 10.64 20.26 48.97 10.13 21.04 48.62 8.94 18.55 49.58 8.29 17.90 50.41 10.16 19.36 50.01 9.83 20.15 51.28 3 0 18.95-999 ?-999 ?-999 ? C1 CAC B 201 mLEU.B 125 8.64 18.58 48.28 9.24 19.16 47.73 7.93 16.36 47.75 8.92 16.00 47.13 7.51 17.83 47.75 7.19 18.31 46.33 3 0 18.57-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 126 7.17 15.53 48.46 6.38 15.96 48.89 7.32 13.31 47.28 6.29 13.37 46.62 7.49 14.12 48.56 6.69 13.45 49.68 3 0 21.97-999 ?-999 ?-999 ? C1 CAC B 201 mLEU.B 127 8.36 12.56 46.95 9.13 12.60 47.59 8.70 10.30 46.09 9.72 10.04 46.73 8.36 11.73 45.75 9.40 12.26 44.76 3 0 24.45-999 ?-999 ?-999 ? C1 CAC B 201 mGLU.B 128 7.86 9.36 45.69 7.02 9.67 45.24 9.09 7.60 44.76 8.87 8.07 43.64 8.20 7.97 45.94 6.98 7.06 45.98 2 0 27.90-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 129 10.11 6.78 44.99 10.20 6.47 45.93 10.91 4.95 43.49 10.94 4.05 44.33 10.99 6.42 43.90 12.43 6.80 44.24 3 0 30.49-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 130 10.78 4.74 42.18 10.74 5.58 41.64 11.83 3.32 40.55 12.47 4.33 40.24 10.71 3.41 41.58 9.38 3.19 40.86 3 0 33.43-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 131 12.07 2.13 40.03 11.49 1.40 40.38 12.87 0.66 38.24 12.11 -0.21 38.65 13.10 1.94 39.02 14.49 1.90 39.66 3 0 36.14-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 132 13.54 0.55 37.10 14.12 1.34 36.88 14.10 -1.85 36.86 15.23 -1.76 37.33 13.41 -0.62 36.25 14.01 -0.32 34.87 3 0 39.21-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 133 13.39 -2.98 36.86 12.47 -2.88 36.48 14.47 -5.03 36.19 13.73 -5.32 35.25 13.92 -4.24 37.38 12.83 -5.08 38.05 3 0 42.38-999 ?-999 ?-999 ? C1 CAC B 201 mHIS.B 134 15.74 -5.39 36.24 16.23 -5.10 37.06 16.67 -7.59 35.57 16.47 -7.91 36.76 16.34 -6.16 35.15 17.59 -5.44 34.62 3 0 45.52-999 ?-999 ?-999 ? C1 CAC B 201