HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-07 2P06 COMPND HYPOTHETICAL PROTEIN AF_0060; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 STRAIN: DSM 4304, VC-16, JCM 9628, NBRC 100126; SOURCE 5 ATCC: 49558; SOURCE 6 GENE: AF_0060; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR B.NOCEK,X.XU,Y.KONIYENKO,A.YAKOUNINE,A.SAVCHENKO,A.EDWARDS, AUTHOR 2 A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 14 8 HET MSE A 19 8 HET MSE A 48 8 HET MSE A 75 8 HET MSE B 1 8 HET MSE B 14 8 HET MSE B 19 8 HET MSE B 48 8 HET MSE B 75 8 HET MG A 101 1 HET MG B 101 1 HET GOL A 102 6 SITE 1 AC1 5 GLU A 47 GLU A 50 GLU A 66 ASP A 69 SITE 1 AC2 6 GLU B 47 GLU B 50 GLU B 66 ASP B 69 SITE 1 AC3 3 ARG A 30 HOH A 143 ARG B 5 mMETA 1 9.79 87.33 -14.02 10.59 87.90 -13.85 7.34 87.04 -13.65 7.35 87.48 -12.49 8.59 86.48 -14.29 8.78 85.10 -13.70 2 0 23.51-999 ?-999 ?-999 ? MG MG B 101 mASP~A 2 6.24 86.95 -14.39 6.38 86.71 -15.35 4.45 85.89 -13.18 5.11 84.83 -13.25 4.95 87.20 -13.80 4.00 87.82 -14.82 2 0 21.59-999 ?-999 ?-999 ? MG MG B 101 mTYR~A 3 3.28 85.95 -12.57 2.82 86.84 -12.63 2.57 83.61 -12.81 2.97 82.51 -12.49 2.72 84.80 -11.87 1.39 85.15 -11.25 3 0 18.47-999 ?-999 ?-999 ? MG MG B 101 mPHE~A 4 1.99 83.85 -13.98 1.77 84.81 -14.15 2.95 82.00 -15.30 2.93 80.79 -15.28 1.70 82.78 -14.91 1.01 83.31 -16.16 3 0 20.78-999 ?-999 ?-999 ? MG MG B 101 mARG~A 5 4.02 82.72 -15.60 3.89 83.70 -15.48 5.93 81.32 -14.95 6.43 80.21 -15.18 5.28 82.12 -16.07 6.23 83.22 -16.56 2 0 22.99-999 ?-999 ?-999 ? MG MG B 101 mLEU~A 6 5.92 81.87 -13.74 5.54 82.79 -13.71 5.61 79.88 -12.34 6.19 78.78 -12.13 6.41 81.17 -12.57 6.34 82.06 -11.31 3 0 20.33-999 ?-999 ?-999 ? MG MG B 101 mALA~A 7 4.29 80.01 -12.37 3.97 80.94 -12.57 3.55 77.77 -13.15 3.46 76.59 -12.80 3.40 78.89 -12.13 1.92 79.36 -12.01 2 0 18.77-999 ?-999 ?-999 ? MG MG B 101 mGLU~A 8 3.76 78.12 -14.41 3.70 79.11 -14.59 5.32 76.33 -15.14 5.33 75.09 -15.27 4.05 77.13 -15.45 4.14 77.77 -16.85 2 0 21.19-999 ?-999 ?-999 ? MG MG A 101 mLYS~A 9 6.39 77.05 -14.77 6.23 78.03 -14.77 7.49 75.50 -13.17 8.02 74.39 -13.11 7.66 76.42 -14.40 8.74 77.48 -14.10 2 0 19.32-999 ?-999 ?-999 ? MG MG A 101 mPHE~A 10 6.73 75.98 -12.20 6.30 76.85 -12.42 5.72 74.02 -11.13 6.07 72.95 -10.66 6.55 75.27 -10.92 5.88 76.20 -9.90 3 0 16.04-999 ?-999 ?-999 ? MG MG A 101 mLEU~A 11 4.64 74.14 -11.89 4.44 75.07 -12.19 4.70 71.89 -12.95 4.56 70.70 -12.66 3.86 72.97 -12.24 2.68 73.34 -13.13 3 0 16.50-999 ?-999 ?-999 ? MG MG A 101 mARG~A 12 5.57 72.28 -13.88 5.58 73.27 -14.04 7.30 70.56 -13.55 7.52 69.34 -13.63 6.41 71.29 -14.58 7.28 71.97 -15.63 2 0 17.19-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 13 7.84 71.31 -12.60 7.64 72.28 -12.66 7.82 69.79 -10.61 8.28 68.73 -10.21 8.66 70.69 -11.55 9.39 71.76 -10.72 2 0 13.93-999 ?-999 ?-999 ? MG MG A 101 mMETA 14 6.63 70.26 -10.23 6.42 71.18 -10.56 5.43 68.14 -10.10 5.42 67.05 -9.48 5.72 69.48 -9.40 4.42 70.24 -9.18 2 0 12.02-999 ?-999 ?-999 ? MG MG A 101 mHIS~A 15 5.16 68.22 -11.40 5.21 69.14 -11.78 6.01 66.08 -12.23 5.84 64.86 -12.06 4.84 67.02 -12.16 4.33 67.41 -13.54 3 0 14.24-999 ?-999 ?-999 ? MG MG A 101 mALA~A 16 7.22 66.61 -12.42 7.23 67.60 -12.53 8.61 65.06 -11.09 8.99 63.88 -11.01 8.40 65.76 -12.46 9.65 66.55 -12.89 2 0 13.72-999 ?-999 ?-999 ? MG MG A 101 mLYS~A 17 8.30 65.76 -10.01 8.00 66.69 -10.20 7.38 64.06 -8.49 7.73 62.96 -8.00 8.42 65.18 -8.68 8.25 66.28 -7.63 2 0 9.94-999 ?-999 ?-999 ? MG MG A 101 mTYR~A 18 6.15 64.31 -8.94 6.03 65.26 -9.25 5.52 62.03 -9.76 5.33 60.92 -9.29 5.08 63.30 -8.97 3.80 63.92 -9.56 3 0 11.20-999 ?-999 ?-999 ? MG MG A 101 mMETA 19 6.10 62.23 -10.93 6.18 63.19 -11.20 7.53 60.26 -10.98 7.35 59.04 -10.93 6.59 61.13 -11.74 7.37 61.62 -12.95 2 0 13.84-999 ?-999 ?-999 ? MG MG A 101 mLYS~A 20 8.55 60.88 -10.40 8.57 61.87 -10.55 8.89 59.39 -8.47 9.26 58.25 -8.23 9.54 60.15 -9.61 10.61 61.06 -9.03 2 0 11.92-999 ?-999 ?-999 ? MG MG A 101 mARG~A 21 7.95 60.00 -7.76 7.74 60.94 -8.06 6.48 58.11 -7.13 6.59 57.02 -6.58 7.29 59.30 -6.64 6.38 60.22 -5.83 2 0 10.01-999 ?-999 ?-999 ? MG MG A 101 mVAL~A 22 5.66 58.31 -8.15 5.68 59.23 -8.55 5.63 56.10 -9.29 5.12 55.01 -9.45 4.81 57.24 -8.63 3.68 57.72 -9.61 3 0 13.43-999 ?-999 ?-999 ? MG MG A 101 mSER~A 23 6.88 56.37 -9.65 7.18 57.30 -9.44 8.21 54.31 -9.31 8.65 53.24 -9.71 7.72 55.36 -10.30 8.92 56.02 -10.98 2 0 15.20-999 ?-999 ?-999 ? MG MG A 101 mARG.A 24 8.13 54.61 -8.01 7.79 55.54 -7.83 7.51 52.52 -7.02 6.30 52.77 -7.17 8.50 53.67 -6.97 8.47 54.35 -5.59 2 0 14.13-999 ?-999 ?-999 ? MG MG A 101 mPRO.A 25 8.00 51.25 -6.93 8.99 51.15 -6.86 6.00 50.35 -5.86 6.30 50.85 -4.76 7.06 50.14 -6.94 7.95 48.91 -6.64 3 0 17.24-999 ?-999 ?-999 ? MG MG A 101 mGLY.A 26 4.76 49.99 -6.23 4.65 49.73 -7.19 2.94 51.29 -5.11 1.84 51.30 -4.58 3.67 49.97 -5.27-999.99-999.99-999.99 1 0 17.47-999 ?-999 ?-999 ? MG MG A 101 mASN.A 27 3.55 52.40 -5.55 4.44 52.24 -5.99 1.76 53.95 -6.34 1.84 53.61 -7.54 2.94 53.73 -5.38 3.97 54.87 -5.58 2 0 14.68-999 ?-999 ?-999 ? MG MG A 101 mTHR.A 28 0.68 54.53 -5.81 0.74 54.70 -4.82 -0.15 56.04 -7.55 0.43 57.01 -7.13 -0.48 54.88 -6.61 -1.70 55.31 -5.76 2 0 12.55-999 ?-999 ?-999 ? O3 GOL A 102 mPRO.A 29 -0.58 55.96 -8.80 -1.00 55.10 -9.08 -1.47 58.21 -9.43 -1.38 59.23 -10.09 -0.41 57.12 -9.66 -0.55 56.53 -11.07 3 0 11.42-999 ?-999 ?-999 ? C1 GOL A 102 mARG~A 30 -2.46 57.96 -8.57 -2.40 57.06 -8.14 -3.84 59.06 -6.79 -4.95 58.76 -6.36 -3.53 58.94 -8.28 -4.80 58.61 -9.06 2 0 -9.07-999 ?-999 ?-999 ? C1 GOL A 102s mPRO~A 31 -2.87 59.54 -6.01 -2.02 59.80 -6.47 -4.36 60.46 -4.19 -5.04 60.12 -3.22 -3.11 59.65 -4.57 -1.84 60.30 -4.04 3 0 11.77-999 ?-999 ?-999 ? C1 GOL A 102 mTRP~A 32 -4.66 61.50 -4.98 -4.00 61.64 -5.72 -7.16 61.62 -4.94 -8.19 62.14 -4.51 -5.83 62.35 -4.78 -5.80 63.53 -5.75 3 0 10.57-999 ?-999 ?-999 ? O1 GOL A 102 mPHE~A 33 -7.14 60.46 -5.60 -6.22 60.18 -5.88 -8.38 58.40 -5.02 -9.46 57.96 -4.56 -8.34 59.69 -5.87 -8.38 59.33 -7.36 3 0 7.76-999 ?-999 ?-999 ? C1 GOL A 102 mASP~A 34 -7.20 57.80 -4.84 -6.43 58.33 -5.19 -7.02 56.55 -2.68 -7.40 55.59 -2.03 -7.07 56.50 -4.20 -5.80 55.81 -4.70 2 0 9.40-999 ?-999 ?-999 ? C3 GOL A 102 mPHE~A 35 -6.54 57.65 -2.12 -6.27 58.36 -2.77 -7.60 58.54 -0.08 -8.24 59.32 -0.76 -6.41 57.80 -0.67 -5.14 58.57 -0.28 3 0 12.99-999 ?-999 ?-999 ? C3 GOL A 102 mSER~A 36 -7.85 58.25 1.19 -7.30 57.51 1.55 -8.36 60.36 2.32 -7.15 60.68 2.27 -8.85 58.95 1.98 -9.13 58.18 3.29 2 0 14.98-999 ?-999 ?-999 ? O2 GOL A 102 mGLU~A 37 -9.32 61.21 2.67 -10.25 60.86 2.55 -8.06 62.43 4.35 -7.11 63.19 4.44 -9.02 62.54 3.18 -10.30 63.26 3.62 2 0 16.62-999 ?-999 ?-999 ? O1 GOL A 102 mGLU~A 38 -8.29 61.46 5.24 -9.06 60.86 5.03 -6.01 60.96 6.06 -5.06 61.54 6.60 -7.44 61.34 6.43 -7.99 60.36 7.44 2 0 18.02-999 ?-999 ?-999 ? MG MG A 101 mARG~A 39 -5.84 60.03 5.13 -6.69 59.64 4.76 -3.81 60.79 3.98 -2.61 61.01 4.14 -4.51 59.64 4.71 -4.54 58.40 3.82 2 0 15.35-999 ?-999 ?-999 ? MG MG A 101 mLEU~A 40 -4.55 61.49 3.13 -5.48 61.14 3.01 -3.56 63.76 3.44 -2.51 64.33 3.30 -3.99 62.67 2.44 -4.99 63.20 1.44 3 0 13.64-999 ?-999 ?-999 ? MG MG A 101 mLEU~A 41 -4.37 64.01 4.46 -5.24 63.52 4.43 -2.69 64.48 6.21 -1.74 65.22 6.39 -3.96 64.95 5.53 -5.04 65.06 6.59 3 0 14.02-999 ?-999 ?-999 ? MG MG A 101 mSER~A 42 -2.71 63.21 6.61 -3.57 62.74 6.42 -0.33 62.74 6.39 0.72 63.18 6.88 -1.59 62.58 7.24 -1.94 61.10 7.45 2 0 12.78-999 ?-999 ?-999 ? MG MG A 101 mARG~A 43 -0.44 62.44 5.10 -1.35 62.13 4.82 1.22 64.00 4.09 2.43 64.25 4.13 0.72 62.57 4.20 0.38 62.02 2.80 2 0 9.52-999 ?-999 ?-999 ? MG MG A 101 mLEU~A 44 0.30 64.96 3.96 -0.64 64.64 3.95 1.45 66.83 5.10 2.45 67.55 4.97 0.68 66.36 3.86 -0.55 67.25 3.64 3 0 9.17-999 ?-999 ?-999 ? MG MG A 101 mPHE~A 45 1.00 66.43 6.28 0.18 65.86 6.26 3.11 66.21 7.52 4.05 66.88 7.95 1.71 66.81 7.50 0.93 66.42 8.76 3 0 10.05-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 46 3.24 64.96 7.09 2.39 64.50 6.86 5.47 65.17 6.06 6.60 65.44 6.41 4.56 64.33 6.99 4.47 62.91 6.47 2 0 7.57-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 47 4.96 65.58 4.90 4.01 65.30 4.74 6.13 67.74 4.55 7.25 68.20 4.37 5.76 66.38 3.96 5.06 66.55 2.61 2 0 -4.70-999 ?-999 ?-999 ? MG MG A 101s mMETA 48 5.19 68.39 5.24 4.30 67.94 5.27 6.52 69.51 6.97 7.34 70.40 7.13 5.47 69.64 5.88 4.20 70.28 6.43 2 0 7.56-999 ?-999 ?-999 ? MG MG A 101 mASP~A 49 6.47 68.42 7.73 5.68 67.82 7.56 8.84 67.93 8.06 9.84 68.39 8.55 7.48 68.13 8.73 7.12 66.88 9.54 2 0 8.31-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 50 8.88 67.25 6.93 8.00 66.86 6.65 10.69 68.44 5.69 11.91 68.65 5.67 10.14 67.10 6.19 9.99 66.12 5.02 2 0 -5.40-999 ?-999 ?-999 ? MG MG A 101s mLEU~A 51 9.81 69.36 5.30 8.85 69.06 5.34 10.85 71.47 6.03 11.92 72.06 5.89 10.23 70.69 4.86 9.05 71.44 4.27 3 0 6.68-999 ?-999 ?-999 ? MG MG A 101 mARG~A 52 10.17 71.44 7.17 9.28 70.99 7.11 12.07 71.46 8.77 12.97 72.23 9.08 10.69 72.03 8.41 9.69 71.83 9.56 2 0 10.04-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 53 12.23 70.13 8.72 11.39 69.63 8.50 14.61 70.05 8.02 15.73 70.30 8.44 13.54 69.50 8.96 13.50 67.98 8.75 2 0 9.81-999 ?-999 ?-999 ? MG MG A 101 mALA~A 54 14.28 70.19 6.73 13.34 69.92 6.52 15.65 72.15 6.08 16.83 72.53 5.97 15.24 70.70 5.75 14.66 70.61 4.34 2 0 9.26-999 ?-999 ?-999 ? MG MG A 101 mVAL~A 55 14.68 72.95 6.50 13.76 72.55 6.50 15.86 74.33 8.17 16.80 75.14 8.23 14.96 74.31 6.92 13.66 75.11 7.17 3 0 12.15-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 56 15.60 73.44 9.12 14.83 72.83 8.93 17.83 72.94 10.09 18.73 73.39 10.78 16.40 73.37 10.34 15.77 72.41 11.34 2 0 14.15-999 ?-999 ?-999 ? MG MG A 101 mLYS~A 57 18.03 72.05 9.13 17.20 71.71 8.69 20.04 72.59 7.80 21.19 72.40 7.44 19.37 71.61 8.77 19.32 70.21 8.16 2 0 14.10-999 ?-999 ?-999 ? MG MG A 101 mGLU.A 58 19.31 73.62 7.38 18.42 73.70 7.84 20.19 73.79 5.09 21.18 74.13 4.43 19.78 74.54 6.35 20.95 75.39 6.88 2 0 14.93-999 ?-999 ?-999 ? MG MG A 101 mASP~A 59 19.41 72.76 4.76 18.65 72.60 5.39 18.84 72.56 2.44 17.76 72.05 2.08 19.65 71.95 3.58 19.24 70.49 3.86 2 0 12.55-999 ?-999 ?-999 ? MG MG A 101 mTRP~A 60 19.35 73.65 1.88 20.27 73.89 2.21 18.48 73.65 -0.46 17.47 73.81 -1.15 18.63 74.41 0.86 19.29 75.77 0.59 3 0 13.09-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 61 19.45 72.81 -0.81 20.24 72.81 -0.20 18.12 71.08 -1.89 17.28 71.01 -2.81 19.34 71.99 -2.02 20.61 71.16 -2.26 2 0 12.50-999 ?-999 ?-999 ? MG MG A 101 mASN~A 62 18.00 70.40 -0.75 18.77 70.52 -0.12 15.56 70.39 -0.28 14.44 69.89 -0.47 16.83 69.55 -0.45 17.07 68.72 0.82 2 0 8.81-999 ?-999 ?-999 ? MG MG A 101 mLEU~A 63 15.72 71.65 0.12 16.67 71.95 0.22 13.66 72.64 -0.88 12.43 72.56 -0.75 14.54 72.50 0.36 14.90 73.88 0.90 3 0 9.02-999 ?-999 ?-999 ? MG MG A 101 mARG~A 64 14.25 72.83 -2.05 15.25 72.88 -2.02 12.60 71.71 -3.53 11.44 71.82 -3.91 13.44 72.97 -3.27 14.29 73.30 -4.50 2 0 9.88-999 ?-999 ?-999 ? MG MG A 101 mASP~A 65 13.19 70.53 -3.32 14.15 70.58 -3.07 11.26 69.20 -2.48 10.18 68.79 -2.85 12.42 69.29 -3.47 13.30 68.04 -3.31 2 0 6.94-999 ?-999 ?-999 ? MG MG A 101 mGLU~A 66 11.50 69.61 -1.24 12.42 69.94 -1.07 9.35 70.54 -0.48 8.22 70.27 -0.12 10.48 69.57 -0.22 11.07 69.81 1.16 2 0 -4.77-999 ?-999 ?-999 ? MG MG A 101s mLEU~A 67 9.65 71.65 -1.11 10.63 71.78 -1.27 7.67 71.99 -2.57 6.48 72.24 -2.58 8.60 72.60 -1.50 9.20 73.91 -2.00 3 0 7.96-999 ?-999 ?-999 ? MG MG A 101 mLEU~A 68 8.24 71.20 -3.47 9.23 71.12 -3.38 6.55 69.48 -3.88 5.37 69.36 -4.25 7.46 70.53 -4.50 8.38 69.86 -5.53 3 0 8.07-999 ?-999 ?-999 ? MG MG A 101 mASP~A 69 7.11 68.71 -2.93 8.07 68.92 -2.75 5.15 68.29 -1.52 4.03 67.78 -1.58 6.35 67.67 -2.24 7.22 66.94 -1.19 2 0 -5.23-999 ?-999 ?-999 ? MG MG A 101s mVAL~A 70 5.39 69.36 -0.79 6.35 69.65 -0.78 3.25 70.58 -1.03 2.05 70.39 -0.80 4.32 70.05 -0.08 4.89 71.14 0.88 3 0 7.15-999 ?-999 ?-999 ? MG MG A 101 mALA~A 71 3.67 71.23 -2.11 4.66 71.31 -2.17 1.86 70.64 -3.70 0.64 70.79 -3.82 2.71 71.75 -3.10 3.42 72.56 -4.22 2 0 10.32-999 ?-999 ?-999 ? MG MG A 101 mASN~A 72 2.48 69.51 -4.07 3.47 69.51 -3.92 0.68 67.87 -3.63 -0.47 67.68 -3.98 1.72 68.39 -4.64 2.65 67.26 -5.09 2 0 10.16-999 ?-999 ?-999 ? MG MG A 101 mPHE~A 73 1.08 67.66 -2.39 2.03 67.89 -2.20 -0.93 68.12 -0.98 -2.02 67.73 -0.66 0.14 67.12 -1.41 0.88 66.46 -0.25 3 0 9.79-999 ?-999 ?-999 ? MG MG A 101 mCYH~A 74 -0.64 69.41 -1.04 0.33 69.61 -1.15 -2.68 70.26 -2.08 -3.88 70.30 -1.87 -1.69 70.43 -0.94 -1.10 71.84 -1.01 2 0 12.44-999 ?-999 ?-999 ? MG MG A 101 mMETA 75 -2.17 70.06 -3.29 -1.18 70.03 -3.34 -3.91 68.64 -4.33 -5.09 68.65 -4.65 -3.06 69.89 -4.44 -2.26 69.84 -5.73 2 0 14.45-999 ?-999 ?-999 ? MG MG A 101 mTYR~A 76 -3.32 67.55 -3.86 -2.37 67.68 -3.55 -5.16 66.36 -2.80 -6.28 65.93 -3.07 -4.02 66.28 -3.81 -3.07 65.12 -3.48 3 0 13.83-999 ?-999 ?-999 ? O1 GOL A 102 mLEU~A 77 -4.86 66.90 -1.63 -3.91 67.16 -1.49 -6.97 68.07 -1.10 -8.15 67.84 -0.88 -5.91 67.07 -0.63 -5.33 67.45 0.73 3 0 15.50-999 ?-999 ?-999 ? MG MG B 101 mTRP~A 78 -6.57 69.18 -1.72 -5.58 69.30 -1.76 -8.48 69.43 -3.29 -9.71 69.63 -3.28 -7.55 70.12 -2.29 -6.84 71.33 -2.91 3 0 13.97-999 ?-999 ?-999 ? MG MG B 101 mGLY~A 79 -7.88 68.58 -4.14 -6.89 68.52 -4.02 -9.65 66.90 -4.47 -10.83 66.93 -4.82 -8.63 67.81 -5.14-999.99-999.99-999.99 1 0 11.82-999 ?-999 ?-999 ? O1 GOL A 102 mLYS~A 80 -9.18 66.11 -3.51 -8.20 66.18 -3.34 -11.23 65.99 -2.12 -12.37 65.56 -2.19 -10.06 65.22 -2.78 -9.28 64.40 -1.73 2 0 11.76-999 ?-999 ?-999 ? O1 GOL A 102 mLEU~A 81 -10.94 67.13 -1.50 -9.97 67.39 -1.55 -12.91 68.64 -1.78 -14.04 68.96 -1.44 -11.97 67.92 -0.81 -11.32 68.95 0.11 3 0 14.70-999 ?-999 ?-999 ? O1 GOL A 102 mSER~A 82 -12.45 68.87 -3.00 -11.55 68.46 -3.18 -14.24 68.82 -4.69 -15.25 69.33 -5.12 -13.20 69.65 -3.97 -12.23 70.31 -4.93 2 0 13.54-999 ?-999 ?-999 ? O1 GOL A 102 mVAL~A 83 -13.98 67.52 -4.80 -13.04 67.28 -4.57 -15.98 66.30 -4.08 -17.20 66.39 -4.26 -15.00 66.55 -5.23 -14.36 65.20 -5.61 3 0 10.82-999 ?-999 ?-999 ? O1 GOL A 102 mLYS~A 84 -15.42 66.00 -2.90 -14.42 66.03 -2.92 -17.29 66.71 -1.40 -18.50 66.42 -1.55 -16.19 65.68 -1.70 -15.24 65.51 -0.47 2 0 13.44-999 ?-999 ?-999 ? O1 GOL A 102 mLEU.B -4 -8.12 50.61 -21.51 -8.68 50.38 -22.30 -7.35 52.46 -20.20 -7.50 53.22 -21.18 -7.30 50.96 -20.35 -5.85 50.45 -20.50 3 0 8.84-999 ?-999 ?-999 ? O3 GOL A 102 mTYR.B -3 -7.25 52.90 -18.97 -7.05 52.20 -18.29 -6.06 54.95 -18.42 -5.20 54.39 -17.75 -7.43 54.29 -18.64 -8.30 54.35 -17.39 3 0 6.36-999 ?-999 ?-999 ? O3 GOL A 102 mPHE.B -2 -5.88 56.15 -18.98 -6.67 56.46 -19.52 -4.72 57.68 -17.46 -5.03 58.88 -17.38 -4.64 56.93 -18.81 -4.47 57.90 -20.00 3 0 8.55-999 ?-999 ?-999 ? O3 GOL A 102 mGLN.B -1 -4.41 56.95 -16.40 -4.14 56.02 -16.62 -3.60 58.74 -14.86 -4.03 59.70 -14.20 -4.47 57.51 -15.05 -4.09 56.43 -14.02 2 0 7.19-999 ?-999 ?-999 ? O3 GOL A 102 mGLY~B 0 -2.40 58.74 -15.45 -2.19 57.89 -15.93 -2.02 61.23 -15.90 -1.60 62.30 -15.43 -1.49 59.88 -15.41-999.99-999.99-999.99 1 0 10.24-999 ?-999 ?-999 ? C1 GOL A 102 mMETB 1 -2.92 61.20 -16.88 -3.14 60.29 -17.23 -4.43 63.05 -16.35 -4.73 64.24 -16.44 -3.49 62.44 -17.38 -4.19 62.23 -18.70 2 0 9.90-999 ?-999 ?-999 ? C1 GOL A 102 mASP~B 2 -4.89 62.26 -15.39 -4.63 61.30 -15.48 -4.93 63.83 -13.45 -5.52 64.72 -12.84 -5.72 62.82 -14.30 -6.28 61.73 -13.40 2 0 7.21-999 ?-999 ?-999 ? O1 GOL A 102 mTYR~B 3 -3.60 63.70 -13.41 -3.26 62.86 -13.85 -2.99 66.09 -13.34 -3.17 67.06 -12.59 -2.74 64.71 -12.78 -1.25 64.37 -12.92 3 0 10.59-999 ?-999 ?-999 ? O1 GOL A 102 mPHE~B 4 -3.00 66.19 -14.67 -2.89 65.33 -15.16 -4.61 67.99 -15.28 -4.84 69.19 -15.29 -3.17 67.49 -15.32 -2.66 67.41 -16.75 3 0 12.11-999 ?-999 ?-999 ? O1 GOL A 102 mARG~B 5 -5.58 67.06 -15.22 -5.26 66.12 -15.34 -7.11 68.13 -13.65 -7.76 69.16 -13.53 -6.97 67.43 -15.00 -7.86 66.19 -15.09 2 0 -9.59-999 ?-999 ?-999 ? O1 GOL A 102s mLEU~B 6 -6.43 67.59 -12.64 -5.96 66.74 -12.86 -5.60 69.54 -11.34 -6.09 70.59 -10.86 -6.40 68.22 -11.32 -5.82 67.25 -10.29 3 0 10.45-999 ?-999 ?-999 ? O1 GOL A 102 mALA~B 7 -4.38 69.51 -11.88 -4.14 68.63 -12.27 -4.10 71.90 -12.60 -3.94 73.05 -12.18 -3.50 70.71 -11.86 -2.10 70.36 -12.43 2 0 14.06-999 ?-999 ?-999 ? O1 GOL A 102 mGLU~B 8 -4.80 71.60 -13.70 -4.84 70.62 -13.89 -6.43 73.48 -13.68 -6.48 74.69 -13.81 -5.45 72.63 -14.53 -6.15 71.94 -15.71 2 0 14.73-999 ?-999 ?-999 ? O1 GOL A 102 mLYS~B 9 -7.16 72.82 -12.78 -7.03 71.83 -12.81 -7.31 74.14 -10.67 -7.61 75.27 -10.30 -8.05 73.50 -11.84 -9.08 72.51 -11.30 2 0 14.54-999 ?-999 ?-999 ? O1 GOL A 102 mPHE~B 10 -6.39 73.38 -10.05 -6.22 72.49 -10.48 -4.89 75.08 -9.15 -4.99 76.05 -8.40 -5.71 73.83 -8.86 -4.84 72.73 -8.27 3 0 15.98-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 11 -4.15 75.09 -10.25 -4.22 74.25 -10.80 -4.13 77.52 -10.83 -3.68 78.62 -10.48 -3.31 76.25 -10.60 -2.38 75.99 -11.78 3 0 16.51-999 ?-999 ?-999 ? MG MG B 101 mARG~B 12 -5.33 77.36 -11.38 -5.55 76.42 -11.65 -6.73 79.00 -10.26 -6.89 80.21 -10.08 -6.24 78.48 -11.59 -7.46 78.07 -12.40 2 0 17.15-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 13 -7.05 78.10 -9.34 -7.00 77.15 -9.67 -6.33 79.19 -7.19 -6.59 80.13 -6.41 -7.45 78.51 -7.98 -7.98 77.32 -7.20 2 0 13.94-999 ?-999 ?-999 ? MG MG B 101 mMETB 14 -5.09 78.71 -7.36 -5.04 77.89 -7.93 -3.78 80.78 -7.27 -3.51 81.71 -6.51 -3.93 79.36 -6.75 -2.64 78.60 -7.04 2 0 12.04-999 ?-999 ?-999 ? MG MG B 101 mHIS~B 15 -3.91 80.94 -8.58 -4.09 80.10 -9.10 -4.92 83.20 -8.62 -4.67 84.38 -8.28 -3.81 82.28 -9.15 -3.84 82.18 -10.67 3 0 14.31-999 ?-999 ?-999 ? MG MG B 101 mALA~B 16 -6.13 82.67 -8.54 -6.19 81.71 -8.81 -7.05 83.86 -6.64 -7.37 84.97 -6.27 -7.26 83.46 -8.09 -8.56 82.71 -8.26 2 0 13.88-999 ?-999 ?-999 ? MG MG B 101 mLYS~B 17 -6.44 82.99 -5.85 -6.23 82.11 -6.27 -5.02 84.42 -4.43 -5.11 85.36 -3.65 -6.12 83.32 -4.48 -5.71 82.07 -3.71 2 0 10.13-999 ?-999 ?-999 ? MG MG B 101 mTYR~B 18 -3.99 84.29 -5.26 -3.99 83.42 -5.76 -3.61 86.72 -5.72 -3.27 87.75 -5.14 -2.98 85.37 -5.40 -2.01 84.95 -6.50 3 0 11.31-999 ?-999 ?-999 ? MG MG B 101 mMETB 19 -4.54 86.72 -6.68 -4.66 85.83 -7.13 -5.88 88.61 -5.82 -5.70 89.78 -5.62 -5.29 87.93 -7.02 -6.50 87.63 -7.87 2 0 13.95-999 ?-999 ?-999 ? MG MG B 101 mLYS~B 20 -6.66 87.84 -5.07 -6.69 86.89 -5.36 -6.44 88.97 -2.94 -6.80 89.97 -2.30 -7.39 88.34 -3.93 -8.20 87.22 -3.27 2 0 12.09-999 ?-999 ?-999 ? MG MG B 101 mARG~B 21 -5.23 88.44 -2.81 -4.99 87.70 -3.43 -3.29 89.95 -2.23 -2.85 90.78 -1.44 -4.37 88.99 -1.76 -3.84 87.90 -0.82 2 0 10.37-999 ?-999 ?-999 ? MG MG B 101 mVAL~B 22 -2.93 89.90 -3.52 -3.41 89.19 -4.04 -2.28 92.26 -3.76 -1.40 93.10 -3.54 -1.93 90.80 -4.09 -1.76 90.57 -5.63 3 0 13.35-999 ?-999 ?-999 ? MG MG B 101 mSER~B 23 -3.58 92.54 -3.70 -4.15 91.73 -3.87 -3.89 94.40 -1.98 -3.64 95.59 -1.79 -4.15 93.86 -3.40 -5.67 93.77 -3.64 2 0 15.21-999 ?-999 ?-999 ? MG MG B 101 mARG.B 24 -3.93 93.50 -1.00 -3.92 92.55 -1.33 -2.65 94.46 0.95 -1.58 94.23 0.38 -3.96 93.84 0.42 -4.34 92.58 1.23 2 0 13.41-999 ?-999 ?-999 ? MG MG B 101 mPRO.B 25 -2.74 95.27 2.04 -3.66 95.34 2.43 -0.38 95.09 2.93 -0.55 94.05 3.56 -1.57 95.99 2.60 -2.12 96.62 3.89 3 0 15.07-999 ?-999 ?-999 ? MG MG B 101 mGLY.B 26 0.81 95.50 2.50 0.79 96.37 2.01 2.22 93.55 1.78 3.04 92.67 2.03 2.03 94.72 2.74-999.99-999.99-999.99 1 0 14.77-999 ?-999 ?-999 ? MG MG B 101 mASN.B 27 1.46 93.56 0.70 0.81 94.32 0.66 2.02 93.21 -1.67 1.53 94.27 -2.07 1.56 92.56 -0.35 0.22 91.83 -0.53 2 0 13.55-999 ?-999 ?-999 ? MG MG B 101 mTHR.B 28 2.98 92.56 -2.33 3.26 91.71 -1.89 3.07 92.13 -4.69 2.76 90.97 -4.43 3.56 93.05 -3.58 5.10 93.03 -3.54 2 0 16.30-999 ?-999 ?-999 ? MG MG B 101 mPRO.B 29 2.99 92.64 -5.94 3.22 93.61 -6.05 3.53 90.61 -7.35 3.12 89.72 -8.06 2.58 91.76 -7.02 2.44 92.72 -8.22 3 0 17.19-999 ?-999 ?-999 ? MG MG B 101 mARG~B 30 4.78 90.65 -6.88 4.98 91.43 -6.28 6.63 89.23 -6.00 7.85 89.44 -5.98 5.77 89.62 -7.21 6.62 90.06 -8.40 2 0 17.59-999 ?-999 ?-999 ? MG MG B 101 mPRO~B 31 5.99 88.61 -4.98 5.01 88.46 -5.12 7.90 87.28 -4.03 8.90 87.37 -3.34 6.71 88.20 -3.77 5.62 87.50 -2.92 3 0 15.27-999 ?-999 ?-999 ? MG MG B 101 mTRP~B 32 7.80 86.43 -5.05 6.91 86.41 -5.51 10.16 86.39 -5.87 11.24 85.80 -5.95 8.92 85.61 -5.45 8.51 84.69 -6.60 3 0 16.96-999 ?-999 ?-999 ? MG MG B 101 mPHE~B 33 10.00 87.67 -6.20 9.05 87.98 -6.10 11.39 89.65 -5.65 12.55 90.00 -5.44 11.09 88.53 -6.66 10.72 89.16 -8.00 3 0 20.18-999 ?-999 ?-999 ? MG MG B 101 mASP~B 34 10.35 90.20 -5.05 9.48 89.74 -5.26 10.96 91.05 -2.75 11.58 91.90 -2.12 10.46 91.35 -4.17 9.10 92.04 -4.08 2 0 19.64-999 ?-999 ?-999 ? MG MG B 101 mPHE~B 35 10.65 89.86 -2.26 10.23 89.24 -2.91 12.19 88.68 -0.79 12.58 88.04 -1.76 10.93 89.51 -0.87 9.76 88.71 -0.27 3 0 17.74-999 ?-999 ?-999 ? MG MG B 101 mSER~B 36 12.83 88.69 0.37 12.43 89.31 1.05 13.59 86.43 0.85 12.43 86.14 1.13 14.00 87.88 0.63 14.73 88.39 1.87 2 0 19.33-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 37 14.56 85.53 0.73 15.43 85.91 0.40 13.89 83.99 2.50 12.98 83.22 2.76 14.38 84.12 1.06 15.69 83.35 0.90 2 0 18.65-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 38 14.46 84.79 3.40 15.16 85.41 3.04 12.63 85.14 5.02 11.91 84.46 5.76 14.08 84.74 4.80 14.98 85.57 5.69 2 0 18.02-999 ?-999 ?-999 ? MG MG B 101 mARG~B 39 12.18 86.21 4.35 12.85 86.67 3.78 9.82 85.61 3.85 8.74 85.36 4.38 10.78 86.63 4.49 10.55 88.01 3.90 2 0 15.36-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 40 10.19 85.07 2.70 11.06 85.40 2.34 9.16 82.83 2.90 8.06 82.30 2.97 9.34 84.08 2.03 9.88 83.74 0.66 3 0 13.59-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 41 10.24 82.41 3.56 11.08 82.90 3.30 9.29 81.59 5.72 8.44 80.72 6.05 10.23 81.35 4.56 11.62 81.16 5.14 3 0 13.84-999 ?-999 ?-999 ? MG MG B 101 mSER~B 42 9.46 82.72 6.40 10.17 83.33 6.05 7.16 83.13 7.13 6.25 82.70 7.84 8.62 82.98 7.57 9.12 84.19 8.37 2 0 12.58-999 ?-999 ?-999 ? MG MG B 101 mARG~B 43 6.92 83.71 5.95 7.72 84.07 5.47 4.98 82.37 5.19 3.84 82.07 5.55 5.54 83.79 5.46 5.43 84.66 4.20 2 0 9.49-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 44 5.78 81.50 4.57 6.67 81.87 4.31 4.97 79.37 5.62 3.92 78.71 5.72 5.33 80.11 4.32 6.41 79.32 3.58 3 0 9.05-999 ?-999 ?-999 ? MG MG B 101 mPHE~B 45 5.86 79.46 6.59 6.70 79.93 6.33 4.37 79.51 8.56 3.62 78.79 9.21 5.64 78.93 7.92 6.87 79.20 8.80 3 0 9.93-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 46 4.12 80.81 8.38 4.84 81.31 7.90 1.65 80.77 8.23 0.63 80.48 8.90 2.88 81.42 8.86 2.86 82.94 8.63 2 0 7.48-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 47 1.74 80.52 6.93 2.61 80.75 6.51 0.43 78.47 6.60 -0.70 77.98 6.70 0.62 79.93 6.21 0.80 80.10 4.70 2 0 -4.56-999 ?-999 ?-999 ? MG MG B 101s mMETB 48 1.52 77.76 6.83 2.38 78.25 6.68 0.85 76.28 8.66 0.09 75.35 8.95 1.44 76.37 7.26 2.81 75.71 7.23 2 0 7.35-999 ?-999 ?-999 ? MG MG B 101 mASP~B 49 1.17 77.25 9.51 1.86 77.89 9.16 -0.98 77.56 10.75 -1.75 76.92 11.49 0.55 77.35 10.84 1.23 78.44 11.67 2 0 8.09-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 50 -1.43 78.44 9.85 -0.71 78.93 9.36 -3.55 77.37 9.10 -4.68 77.10 9.45 -2.86 78.64 9.61 -3.13 79.79 8.64 2 0 -5.26-999 ?-999 ?-999 ? MG MG B 101s mLEU~B 51 -2.85 76.60 8.27 -1.93 76.94 8.05 -3.58 74.40 8.91 -4.68 73.85 9.10 -3.39 75.37 7.74 -2.49 74.82 6.63 3 0 6.47-999 ?-999 ?-999 ? MG MG B 101 mARG~B 52 -2.55 74.22 9.73 -1.72 74.71 9.46 -3.79 73.80 11.85 -4.51 72.96 12.40 -2.66 73.37 10.92 -1.34 73.34 11.69 2 0 9.85-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 53 -3.93 75.11 12.05 -3.24 75.68 11.61 -6.42 75.28 12.27 -7.33 74.93 13.02 -5.03 75.64 12.86 -4.89 77.15 13.05 2 0 9.68-999 ?-999 ?-999 ? MG MG B 101 mALA~B 54 -6.58 75.36 10.95 -5.78 75.70 10.46 -8.15 73.49 10.54 -9.29 73.12 10.76 -7.84 74.97 10.31 -7.82 75.27 8.80 2 0 9.20-999 ?-999 ?-999 ? MG MG B 101 mVAL~B 55 -7.11 72.65 10.47 -6.23 73.08 10.26 -7.73 70.94 12.10 -8.68 70.20 12.28 -7.27 71.23 10.66 -6.00 70.43 10.34 3 0 12.05-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 56 -7.07 71.55 13.09 -6.32 72.12 12.78 -8.88 71.83 14.82 -9.53 71.26 15.67 -7.45 71.37 14.50 -6.46 72.09 15.43 2 0 14.17-999 ?-999 ?-999 ? MG MG B 101 mLYS~B 57 -9.35 72.88 14.14 -8.68 73.27 13.51 -11.73 72.61 13.45 -12.93 72.90 13.51 -10.72 73.38 14.29 -10.77 74.85 13.88 2 0 14.04-999 ?-999 ?-999 ? MG MG B 101 mGLU.B 58 -11.25 71.66 12.66 -10.27 71.52 12.78 -12.86 71.77 10.73 -13.95 71.41 10.29 -12.06 70.89 11.70 -12.97 69.92 12.45 2 0 14.93-999 ?-999 ?-999 ? MG MG B 101 mASP~B 59 -12.28 72.91 10.38 -11.38 73.06 10.79 -12.52 73.49 8.03 -11.63 74.10 7.44 -12.91 73.85 9.46 -12.50 75.29 9.80 2 0 12.68-999 ?-999 ?-999 ? MG MG B 101 mTRP~B 60 -13.22 72.49 7.48 -14.00 72.19 8.01 -13.10 72.84 4.99 -12.40 72.77 3.97 -12.83 71.91 6.18 -13.51 70.55 5.98 3 0 13.19-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 61 -14.10 73.71 5.14 -14.62 73.58 5.98 -13.20 75.68 3.98 -12.64 75.85 2.87 -14.40 74.75 4.15 -15.63 75.56 4.58 2 0 12.65-999 ?-999 ?-999 ? MG MG B 101 mASN~B 62 -12.78 76.27 5.10 -13.32 76.05 5.92 -10.30 76.39 4.84 -9.34 76.99 4.40 -11.62 77.16 5.10 -11.54 77.97 6.41 2 0 9.02-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 63 -10.27 75.08 5.07 -11.11 74.70 5.45 -8.65 74.41 3.30 -7.49 74.58 3.00 -9.07 74.30 4.78 -9.27 72.84 5.15 3 0 8.87-999 ?-999 ?-999 ? MG MG B 101 mARG~B 64 -9.62 74.31 2.38 -10.53 74.15 2.76 -8.58 75.73 0.64 -7.59 75.71 -0.08 -9.32 74.43 0.95 -10.59 74.32 0.12 2 0 9.85-999 ?-999 ?-999 ? MG MG B 101 mASP~B 65 -9.04 76.85 1.18 -9.89 76.74 1.69 -6.90 78.09 1.58 -5.97 78.59 0.95 -8.32 78.12 1.00 -9.10 79.31 1.57 2 0 7.02-999 ?-999 ?-999 ? MG MG B 101 mGLU~B 66 -6.73 77.48 2.76 -7.56 77.07 3.15 -4.45 76.57 2.58 -3.26 76.86 2.56 -5.41 77.43 3.39 -5.46 76.94 4.84 2 0 -4.60-999 ?-999 ?-999 ? MG MG B 101s mLEU~B 67 -4.96 75.55 1.89 -5.93 75.39 2.04 -3.60 75.55 -0.20 -2.45 75.41 -0.60 -4.12 74.74 1.00 -4.89 73.50 0.52 3 0 7.75-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 68 -4.46 76.41 -0.75 -5.38 76.36 -0.35 -2.96 78.28 -1.36 -1.96 78.47 -2.06 -4.08 77.33 -1.82 -5.30 78.14 -2.31 3 0 8.00-999 ?-999 ?-999 ? MG MG B 101 mASP~B 69 -3.11 78.83 -0.16 -3.95 78.57 0.31 -0.76 79.03 0.58 0.26 79.55 0.19 -2.10 79.74 0.41 -2.53 80.28 1.78 2 0 -5.18-999 ?-999 ?-999 ? MG MG B 101s mVAL~B 70 -0.76 77.83 1.16 -1.66 77.50 1.44 1.16 76.79 0.02 2.35 76.99 -0.12 0.51 77.09 1.35 0.37 75.84 2.22 3 0 6.98-999 ?-999 ?-999 ? MG MG B 101 mALA~B 71 0.38 76.34 -0.97 -0.58 76.26 -0.71 1.55 77.24 -2.94 2.66 77.16 -3.49 0.92 76.00 -2.29 -0.18 75.43 -3.22 2 0 10.16-999 ?-999 ?-999 ? MG MG B 101 mASN~B 72 0.85 78.37 -2.87 -0.05 78.27 -2.44 2.70 79.98 -2.75 3.66 80.27 -3.45 1.39 79.63 -3.40 0.39 80.78 -3.27 2 0 10.01-999 ?-999 ?-999 ? MG MG B 101 mPHE~B 73 2.76 79.94 -1.43 1.92 79.67 -0.96 5.16 79.28 -0.97 6.34 79.68 -0.97 4.01 80.28 -0.77 3.76 80.68 0.69 3 0 9.68-999 ?-999 ?-999 ? MG MG B 101 mCYH~B 74 4.84 78.00 -1.16 3.88 77.77 -0.97 6.36 77.50 -2.98 7.55 77.44 -3.25 5.85 77.04 -1.62 5.29 75.63 -1.78 2 0 12.36-999 ?-999 ?-999 ? MG MG B 101 mMETB 75 5.44 77.89 -3.85 4.50 77.84 -3.51 6.65 79.61 -5.16 7.64 79.71 -5.89 5.78 78.35 -5.17 4.53 78.63 -5.99 2 0 14.24-999 ?-999 ?-999 ? MG MG B 101 mTYR~B 76 6.28 80.58 -4.32 5.48 80.36 -3.77 8.46 81.58 -3.80 9.41 82.09 -4.38 7.03 81.84 -4.27 6.35 82.87 -3.38 3 0 14.20-999 ?-999 ?-999 ? MG MG B 101 mLEU~B 77 8.63 80.79 -2.75 7.79 80.40 -2.36 10.74 79.68 -3.26 11.92 79.92 -3.49 9.97 80.53 -2.25 9.92 79.84 -0.90 3 0 15.46-999 ?-999 ?-999 ? MG MG B 101 mTRP~B 78 10.10 78.68 -3.85 9.16 78.53 -3.53 11.27 78.79 -6.01 12.37 78.57 -6.53 10.74 77.89 -4.89 9.78 76.82 -5.45 3 0 14.18-999 ?-999 ?-999 ? MG MG A 101 mGLY~B 79 10.45 79.76 -6.40 9.59 79.82 -5.91 12.05 81.50 -7.11 12.95 81.65 -7.90 10.83 80.67 -7.47-999.99-999.99-999.99 1 0 17.84-999 ?-999 ?-999 ? MG MG A 101 mLYS~B 80 12.04 82.05 -5.90 11.21 81.87 -5.37 14.41 81.98 -5.38 15.45 82.42 -5.76 13.16 82.84 -5.41 12.86 83.34 -4.00 2 0 19.26-999 ?-999 ?-999 ? MG MG A 101 mLEU~B 81 14.27 80.74 -4.94 13.33 80.48 -4.70 15.90 79.37 -6.19 17.06 79.02 -6.31 15.40 79.86 -4.83 15.06 78.65 -3.95 3 0 17.00-999 ?-999 ?-999 ? MG MG A 101 mSER~B 82 15.05 79.36 -7.21 14.18 79.81 -7.03 15.99 79.65 -9.56 16.69 79.18 -10.46 15.40 78.73 -8.48 14.20 77.95 -9.01 2 0 17.73-999 ?-999 ?-999 ? MG MG A 101 mVAL~B 83 15.79 80.96 -9.44 15.28 81.22 -8.62 17.71 82.34 -10.19 18.15 82.31 -9.05 16.27 81.91 -10.46 15.37 83.16 -10.54 3 0 21.55-999 ?-999 ?-999 ? MG MG A 101