HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAY-05 2CU6 COMPND DTDP-4-KETO-L-RHAMNOSE REDUCTASE-RELATED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR S.SATOH,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) HET MSE A 47 8 HET MSE B 47 8 SSBOND 1 CYS A 54 CYS B 54 1555 3455 2.67 mPRO~A 6 -37.16 -26.30 2.03 -37.48 -25.70 2.77 -37.56 -27.00 -0.31 -37.07 -26.60 -1.37 -36.70 -27.18 0.94 -36.78 -28.61 1.46 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 7 -38.85 -27.31 -0.18 -39.11 -27.63 0.73 -40.07 -25.68 -1.52 -40.41 -25.27 -2.63 -39.77 -27.15 -1.29 -41.08 -27.90 -1.02 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 8 -39.93 -24.88 -0.47 -39.64 -25.35 0.37 -39.24 -22.80 -1.57 -39.68 -22.03 -2.42 -40.18 -23.45 -0.55 -39.99 -22.81 0.83 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 9 -37.96 -23.14 -1.48 -37.75 -23.79 -0.74 -37.17 -23.12 -3.81 -36.95 -22.41 -4.79 -36.96 -22.60 -2.39 -35.57 -22.95 -1.90 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 10 -37.60 -24.37 -3.91 -37.72 -24.84 -3.04 -39.07 -24.31 -5.83 -39.13 -24.08 -7.04 -37.84 -24.98 -5.21 -38.09 -26.48 -5.04 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 11 -40.05 -23.99 -4.99 -39.87 -24.25 -4.04 -40.96 -21.99 -6.08 -41.46 -21.66 -7.16 -41.28 -23.34 -5.44 -42.23 -23.14 -4.26 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 12 -40.13 -21.20 -5.40 -39.81 -21.59 -4.53 -39.04 -19.99 -7.25 -39.29 -19.19 -8.14 -39.73 -19.90 -5.90 -38.83 -19.19 -4.90 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 13 -38.16 -20.99 -7.39 -38.05 -21.57 -6.59 -38.44 -21.48 -9.77 -38.33 -20.95 -10.87 -37.45 -21.16 -8.65 -36.40 -22.29 -8.53 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 14 -39.42 -22.33 -9.48 -39.40 -22.70 -8.55 -41.22 -21.43 -10.91 -41.43 -21.21 -12.10 -40.43 -22.67 -10.48 -41.39 -23.74 -9.94 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 15 -41.65 -20.63 -9.94 -41.42 -20.94 -9.02 -41.56 -18.39 -11.02 -42.07 -17.64 -11.85 -42.40 -19.40 -10.24 -42.89 -18.77 -8.93 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 16 -40.25 -18.37 -10.74 -39.97 -19.03 -10.04 -39.24 -17.76 -12.90 -38.71 -16.96 -13.68 -39.35 -17.45 -11.42 -37.97 -17.49 -10.75 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 17 -39.77 -18.92 -13.30 -40.16 -19.46 -12.56 -41.13 -19.11 -15.34 -41.33 -19.40 -16.52 -39.76 -19.33 -14.70 -39.35 -20.80 -14.82 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 18 -42.10 -18.61 -14.56 -41.83 -18.46 -13.61 -43.41 -16.86 -15.54 -43.26 -15.96 -14.72 -43.43 -18.33 -15.09 -44.54 -18.51 -14.02 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 19 -43.59 -16.64 -16.84 -43.76 -17.46 -17.38 -44.87 -14.63 -17.76 -45.80 -15.29 -18.23 -43.54 -15.29 -17.41 -42.65 -15.30 -18.66 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 20 -44.94 -13.33 -17.52 -44.12 -12.94 -17.11 -45.87 -11.90 -19.21 -44.90 -11.17 -19.39 -46.13 -12.53 -17.84 -46.33 -11.43 -16.79 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 21 -46.74 -12.19 -20.19 -47.47 -12.79 -19.89 -46.59 -10.16 -21.73 -45.73 -9.64 -22.44 -46.64 -11.68 -21.57 -47.87 -12.28 -22.24 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 22 -47.50 -9.45 -21.07 -48.14 -9.99 -20.51 -46.25 -7.29 -20.78 -45.85 -6.32 -21.43 -47.54 -7.99 -21.19 -48.71 -7.40 -20.39 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 23 -45.60 -7.76 -19.72 -46.03 -8.56 -19.29 -43.08 -7.84 -19.64 -42.00 -7.26 -19.53 -44.38 -7.13 -19.24 -44.41 -6.97 -17.71 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 24 -43.18 -9.08 -20.08 -44.11 -9.45 -20.12 -41.06 -10.15 -19.31 -39.85 -10.30 -19.49 -41.99 -9.81 -20.47-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^A 25 -41.63 -10.26 -18.11 -42.62 -10.09 -18.11 -41.59 -11.72 -16.18 -42.77 -11.97 -16.43 -40.87 -10.59 -16.91 -40.74 -9.38 -15.98 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 26 -40.89 -12.39 -15.27 -39.94 -12.10 -15.16 -42.35 -12.91 -13.39 -42.10 -11.80 -12.90 -41.50 -13.48 -14.53 -40.43 -14.45 -14.00 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 27 -43.35 -13.67 -12.97 -43.42 -14.56 -13.43 -43.60 -12.91 -10.58 -44.14 -12.12 -9.81 -44.26 -13.24 -11.92 -45.37 -14.28 -11.68 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 28 -42.44 -13.50 -10.31 -42.10 -14.11 -11.02 -41.08 -11.86 -9.06 -41.31 -11.03 -8.18 -41.76 -13.23 -9.04 -40.72 -14.34 -8.72 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 29 -40.24 -11.62 -10.06 -40.14 -12.38 -10.71 -40.51 -9.19 -10.47 -40.18 -8.02 -10.29 -39.55 -10.34 -10.16 -38.44 -10.42 -11.21 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 30 -41.71 -9.54 -10.94 -41.84 -10.52 -11.06 -43.44 -8.15 -9.93 -44.10 -7.11 -9.87 -42.73 -8.54 -11.22 -43.74 -9.07 -12.23 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 31 -43.30 -8.98 -8.90 -42.73 -9.78 -9.08 -45.41 -9.10 -7.56 -46.16 -8.58 -6.75 -43.94 -8.70 -7.62-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 32 -45.81 -10.04 -8.41 -45.10 -10.41 -9.00 -47.56 -11.54 -7.37 -48.74 -11.78 -7.11 -47.21 -10.48 -8.43 -47.55 -11.05 -9.82 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 33 -46.55 -12.17 -6.78 -45.64 -11.89 -7.08 -46.89 -12.53 -4.40 -45.90 -12.01 -3.89 -46.82 -13.19 -5.78 -45.72 -14.28 -5.80 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 34 -48.08 -12.57 -3.80 -48.78 -13.06 -4.33 -48.14 -12.88 -1.30 -47.82 -12.42 -0.21 -48.33 -11.96 -2.50 -49.75 -11.39 -2.46 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 35 -48.35 -14.17 -1.50 -48.64 -14.42 -2.42 -47.91 -16.48 -1.08 -48.46 -16.75 -2.15 -48.17 -15.13 -0.41 -49.43 -15.23 0.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 36 -47.09 -17.30 -0.44 -46.71 -16.92 0.41 -46.55 -19.56 0.23 -45.68 -19.31 1.08 -46.77 -18.63 -0.95 -45.49 -18.59 -1.79 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 37 -47.35 -20.62 0.31 -48.02 -20.69 -0.43 -47.25 -22.99 0.79 -48.22 -23.38 0.15 -47.22 -21.59 1.39 -48.37 -21.45 2.41 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 38 -46.17 -23.74 1.00 -45.45 -23.29 1.52 -45.99 -26.07 1.65 -44.95 -26.15 2.31 -46.09 -25.10 0.48 -44.87 -25.27 -0.43 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 39 -47.07 -26.80 1.89 -47.83 -26.61 1.27 -47.83 -29.04 2.44 -49.04 -29.20 2.54 -47.15 -27.78 2.97 -47.93 -27.20 4.16 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 40 -47.05 -29.95 1.84 -46.08 -29.70 1.79 -48.70 -31.79 2.14 -48.60 -31.83 3.37 -47.60 -31.19 1.28 -46.36 -32.08 1.17 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 41 -49.76 -32.29 1.51 -50.42 -32.66 2.17 -50.61 -31.08 -0.53 -51.17 -31.12 -1.64 -50.01 -32.35 0.07 -50.97 -33.52 -0.05 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 42 -50.50 -29.96 0.17 -49.99 -30.06 1.03 -50.08 -27.59 -0.61 -48.99 -27.53 -0.03 -51.08 -28.70 -0.29 -52.05 -28.15 0.75 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 43 -50.46 -26.73 -1.54 -51.35 -26.95 -1.95 -50.70 -24.47 -2.09 -51.74 -24.69 -2.71 -49.67 -25.57 -1.91 -48.91 -25.80 -3.20 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 44 -50.42 -23.30 -1.52 -49.54 -23.28 -1.04 -50.54 -20.96 -2.09 -49.40 -20.74 -1.67 -51.32 -22.16 -1.60 -51.92 -21.85 -0.23 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 45 -51.14 -20.19 -2.98 -52.05 -20.50 -3.27 -51.55 -17.94 -3.70 -52.63 -18.22 -4.23 -50.49 -19.01 -3.49 -49.71 -19.30 -4.81 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 46 -51.26 -16.74 -3.22 -50.38 -16.69 -2.74 -51.35 -14.68 -4.31 -50.18 -14.40 -4.04 -52.15 -15.60 -3.39 -52.46 -14.90 -2.06 2 0 1000.00-999 ?-999 ?-999 ? mMETA 47 -51.96 -14.25 -5.40 -52.91 -14.55 -5.50 -52.21 -12.40 -6.97 -53.42 -12.44 -6.72 -51.26 -13.41 -6.36 -50.69 -14.28 -7.48 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 48 -51.66 -11.49 -7.78 -50.67 -11.57 -7.89 -52.09 -10.44 -9.92 -51.24 -11.22 -10.37 -52.48 -10.49 -8.44 -52.31 -9.09 -7.78 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 49 -52.73 -9.54 -10.66 -53.41 -9.01 -10.15 -52.01 -7.90 -12.26 -52.24 -7.09 -11.37 -52.46 -9.35 -12.09 -53.72 -9.63 -12.91 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 50 -51.36 -7.58 -13.38 -51.26 -8.33 -14.03 -51.90 -5.17 -13.98 -51.60 -3.97 -13.96 -50.87 -6.22 -13.60 -49.77 -6.20 -14.68 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 51 -53.10 -5.61 -14.33 -53.20 -6.60 -14.33 -55.43 -5.11 -13.97 -55.65 -6.29 -13.71 -54.16 -4.69 -14.69 -54.45 -4.68 -16.22 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 52 -56.29 -4.14 -13.64 -56.00 -3.22 -13.90 -58.50 -5.26 -13.79 -58.40 -5.28 -15.02 -57.55 -4.43 -12.94 -58.11 -3.04 -12.64 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 53 -59.42 -5.96 -13.13 -59.37 -5.88 -12.13 -60.06 -8.23 -13.97 -58.89 -8.62 -13.99 -60.40 -6.76 -13.84-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mCSS^A 54 -61.10 -9.05 -14.04 -61.99 -8.59 -13.98 -60.92 -10.78 -15.69 -61.81 -10.38 -16.42 -60.93 -10.48 -14.20 -62.07 -11.24 -13.55 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 55 -59.89 -11.49 -16.17 -59.20 -11.77 -15.49 -60.76 -12.98 -17.93 -61.19 -13.72 -17.04 -59.82 -11.82 -17.59 -58.35 -12.17 -17.79 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 56 -61.07 -13.15 -19.21 -60.66 -12.49 -19.83 -61.31 -15.57 -19.28 -61.98 -16.50 -18.84 -61.96 -14.23 -19.63 -62.21 -14.16 -21.13 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 57 -59.99 -15.64 -19.48 -59.61 -14.80 -19.85 -58.03 -16.37 -18.32 -57.19 -15.61 -18.80 -59.19 -16.83 -19.18 -58.58 -17.42 -20.47 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 58 -57.96 -16.80 -17.05 -58.70 -17.40 -16.77 -55.65 -17.29 -16.50 -55.31 -18.17 -15.71 -56.84 -16.39 -16.19 -57.20 -16.52 -14.70 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 59 -55.03 -17.07 -17.66 -55.43 -16.31 -18.17 -52.66 -17.78 -17.24 -51.95 -18.78 -17.07 -53.89 -17.84 -18.14 -53.49 -17.37 -19.54 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 60 -52.41 -16.61 -16.67 -53.06 -15.89 -16.90 -51.48 -17.25 -14.51 -50.57 -17.94 -14.04 -51.26 -16.44 -15.79 -51.05 -14.96 -15.45 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 61 -52.68 -17.15 -13.95 -53.33 -16.55 -14.41 -52.83 -19.39 -13.01 -52.33 -20.14 -12.17 -52.99 -17.90 -12.74-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 62 -53.27 -19.83 -14.19 -53.66 -19.10 -14.76 -51.70 -21.65 -14.72 -51.32 -22.77 -14.34 -53.17 -21.23 -14.59 -53.88 -21.42 -15.94 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 63 -50.87 -20.76 -15.25 -51.29 -19.90 -15.52 -48.76 -21.19 -14.06 -47.85 -22.01 -13.88 -49.44 -21.07 -15.42 -48.77 -20.00 -16.25 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 64 -49.19 -20.37 -13.10 -49.90 -19.73 -13.38 -49.04 -21.75 -11.08 -48.23 -22.39 -10.42 -48.63 -20.44 -11.76 -49.10 -19.25 -10.88 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 65 -50.30 -22.15 -11.25 -50.85 -21.54 -11.81 -50.00 -24.58 -11.20 -49.56 -25.45 -10.45 -50.80 -23.39 -10.65 -52.29 -23.56 -10.96 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 66 -49.82 -24.60 -12.51 -50.23 -23.82 -12.99 -47.64 -25.75 -12.69 -47.12 -26.84 -12.46 -49.07 -25.66 -13.19 -49.06 -25.40 -14.69 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 67 -47.00 -24.60 -12.53 -47.54 -23.78 -12.76 -45.51 -25.22 -10.67 -44.64 -26.07 -10.44 -45.63 -24.57 -12.05 -45.12 -23.13 -12.00 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 68 -46.40 -24.83 -9.76 -47.06 -24.15 -10.08 -46.72 -26.86 -8.37 -46.25 -27.58 -7.49 -46.38 -25.38 -8.41 -47.34 -24.61 -7.50 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 69 -47.54 -27.31 -9.31 -47.86 -26.63 -9.96 -46.69 -29.59 -9.67 -46.72 -30.81 -9.50 -47.91 -28.72 -9.32 -49.05 -28.97 -10.31 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 70 -45.63 -28.96 -10.17 -45.74 -27.97 -10.29 -43.67 -30.10 -9.23 -42.78 -30.94 -9.26 -44.40 -29.69 -10.51 -43.45 -28.84 -11.36 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 71 -44.06 -29.52 -8.09 -44.79 -28.85 -8.19 -43.83 -31.28 -6.37 -44.99 -31.68 -6.50 -43.42 -29.88 -6.82 -43.81 -28.88 -5.73 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 72 -42.88 -32.05 -5.82 -41.97 -31.63 -5.75 -44.15 -33.42 -4.18 -43.99 -32.63 -3.25 -43.19 -33.41 -5.37 -41.82 -33.99 -4.98 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 73 -45.13 -34.32 -4.22 -45.16 -34.88 -5.04 -47.16 -33.40 -2.99 -47.92 -33.42 -2.03 -46.06 -34.44 -3.11-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^A 74 -47.25 -32.47 -3.94 -46.56 -32.55 -4.67 -49.47 -31.92 -4.75 -49.44 -31.79 -5.97 -48.29 -31.45 -3.89 -47.75 -30.09 -4.40 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 75 -50.49 -32.48 -4.12 -50.40 -32.52 -3.12 -52.75 -31.94 -5.03 -53.66 -32.11 -5.83 -51.65 -32.99 -4.86 -52.24 -34.24 -4.17 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 76 -52.67 -30.85 -4.27 -51.89 -30.83 -3.64 -52.99 -28.41 -4.38 -52.24 -28.08 -3.46 -53.66 -29.78 -4.37 -54.66 -29.84 -3.21 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 77 -53.27 -27.61 -5.40 -53.89 -27.99 -6.09 -53.80 -25.23 -5.54 -54.57 -25.19 -6.50 -52.69 -26.27 -5.47 -51.79 -26.09 -6.71 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 78 -53.90 -24.40 -4.51 -53.24 -24.55 -3.77 -54.28 -22.02 -4.90 -53.37 -21.52 -4.24 -54.92 -23.35 -4.48 -55.52 -23.21 -3.08 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 79 -54.77 -21.45 -6.00 -55.50 -21.97 -6.45 -55.35 -19.12 -6.33 -56.39 -19.19 -6.99 -54.25 -20.17 -6.49 -53.85 -20.25 -7.99 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 80 -55.14 -18.16 -5.44 -54.27 -18.22 -4.95 -55.67 -15.84 -5.88 -54.58 -15.34 -5.56 -56.15 -17.12 -5.23 -56.39 -16.89 -3.74 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 81 -56.48 -15.31 -6.79 -57.32 -15.83 -6.96 -56.89 -12.95 -6.79 -58.12 -12.99 -6.66 -56.13 -14.07 -7.47 -56.50 -14.15 -8.96 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 82 -56.16 -11.94 -6.35 -55.18 -12.03 -6.53 -56.23 -9.50 -6.17 -55.19 -9.45 -6.82 -56.77 -10.82 -5.65 -56.46 -10.89 -4.12 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 83 -56.95 -8.42 -5.88 -57.79 -8.62 -5.36 -56.31 -6.26 -4.99 -56.29 -5.03 -5.02 -56.54 -7.08 -6.27 -57.61 -6.46 -7.16 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 84 -56.15 -6.97 -3.88 -56.22 -7.96 -4.00 -54.61 -6.86 -1.97 -54.56 -8.01 -1.56 -55.90 -6.32 -2.59 -57.08 -6.54 -1.64 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 85 -53.55 -6.04 -1.93 -52.75 -6.47 -1.51 -53.41 -4.63 -3.96 -53.01 -5.61 -4.60 -53.54 -4.67 -2.44 -52.31 -4.06 -1.74 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 86 -53.75 -3.48 -4.57 -54.07 -2.76 -3.96 -52.18 -3.21 -6.44 -51.42 -2.48 -5.81 -53.66 -3.36 -6.03 -54.50 -2.12 -6.32 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 87 -51.79 -3.91 -7.49 -52.53 -4.44 -7.93 -50.01 -2.63 -8.74 -50.84 -2.03 -9.41 -50.41 -3.90 -7.97 -50.19 -5.12 -8.87 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 88 -48.74 -2.26 -8.62 -48.23 -2.81 -7.97 -46.69 -1.55 -9.60 -46.17 -2.47 -8.95 -48.15 -1.14 -9.37 -48.12 0.22 -8.61 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 89 -46.03 -0.85 -10.53 -46.58 -0.15 -10.98 -43.69 -0.94 -9.68 -42.53 -1.37 -9.73 -44.63 -1.11 -10.86 -44.17 -0.18 -11.98 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 90 -44.16 -0.31 -8.61 -45.10 0.00 -8.68 -42.97 -1.50 -6.82 -42.04 -1.63 -6.02 -43.31 -0.14 -7.43 -44.01 0.76 -6.39 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 91 -43.72 -2.53 -7.21 -44.44 -2.29 -7.87 -42.41 -4.68 -7.43 -42.10 -5.82 -7.05 -43.48 -3.88 -6.70 -44.80 -4.65 -6.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 92 -41.83 -4.09 -8.47 -42.18 -3.18 -8.69 -39.56 -4.97 -8.29 -39.31 -4.17 -7.40 -40.76 -4.77 -9.21 -40.33 -3.95 -10.43 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 93 -38.83 -6.06 -8.51 -39.17 -6.65 -9.24 -36.50 -5.53 -8.32 -36.65 -4.99 -9.42 -37.64 -6.34 -7.71 -37.27 -7.83 -7.80 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 94 -35.37 -5.45 -7.63 -35.37 -5.93 -6.76 -33.82 -5.28 -9.50 -33.60 -4.55 -10.47 -34.24 -4.69 -8.15 -33.07 -4.73 -7.18 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 95 -33.74 -6.61 -9.54 -33.96 -7.06 -8.68 -34.22 -6.92 -11.94 -33.72 -6.72 -13.05 -33.35 -7.32 -10.76 -33.45 -8.83 -10.53 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 96 -35.53 -6.82 -11.70 -35.80 -7.02 -10.76 -36.16 -5.04 -13.27 -36.15 -4.86 -14.50 -36.47 -6.45 -12.75 -37.89 -6.51 -12.23 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 6 -37.26 2.05 26.65 -37.69 2.90 26.34 -37.55 -0.41 26.92 -37.12 -1.47 26.47 -36.62 0.79 27.11 -36.28 0.98 28.58 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 7 -38.81 -0.23 27.27 -39.03 0.68 27.63 -40.10 -1.53 25.64 -40.43 -2.65 25.25 -39.79 -1.29 27.12 -41.09 -0.94 27.85 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 8 -39.98 -0.49 24.83 -39.70 0.36 25.28 -39.29 -1.60 22.77 -39.69 -2.46 21.98 -40.26 -0.60 23.40 -40.12 0.76 22.71 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 9 -38.02 -1.50 23.14 -37.83 -0.76 23.79 -37.19 -3.80 23.16 -36.97 -4.79 22.45 -36.99 -2.39 22.63 -35.61 -1.89 23.01 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 10 -37.61 -3.90 24.42 -37.73 -3.03 24.89 -39.06 -5.82 24.33 -39.10 -7.02 24.07 -37.85 -5.20 25.01 -38.11 -5.06 26.51 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 11 -40.05 -4.99 24.02 -39.88 -4.04 24.29 -40.96 -6.07 22.01 -41.47 -7.14 21.67 -41.28 -5.44 23.36 -42.23 -4.26 23.17 2 0 1000.00-999 ?-999 ?-999 ? mTRP^B 12 -40.12 -5.39 21.23 -39.78 -4.53 21.62 -39.04 -7.24 20.00 -39.29 -8.12 19.17 -39.74 -5.89 19.92 -38.85 -4.88 19.21 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 13 -38.18 -7.41 20.99 -38.07 -6.62 21.59 -38.46 -9.79 21.47 -38.34 -10.90 20.96 -37.46 -8.67 21.16 -36.42 -8.55 22.29 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 14 -39.44 -9.49 22.31 -39.42 -8.56 22.67 -41.26 -10.93 21.41 -41.50 -12.11 21.22 -40.46 -10.49 22.65 -41.40 -9.93 23.72 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 15 -41.67 -9.97 20.59 -41.41 -9.04 20.87 -41.57 -11.05 18.37 -42.08 -11.89 17.62 -42.43 -10.28 19.38 -42.95 -9.00 18.74 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 16 -40.27 -10.77 18.36 -39.99 -10.07 19.02 -39.27 -12.93 17.74 -38.76 -13.71 16.93 -39.36 -11.44 17.44 -37.98 -10.79 17.50 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 17 -39.78 -13.33 18.91 -40.16 -12.59 19.46 -41.14 -15.36 19.08 -41.34 -16.55 19.37 -39.77 -14.73 19.31 -39.37 -14.85 20.79 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 18 -42.10 -14.58 18.59 -41.83 -13.63 18.44 -43.42 -15.53 16.83 -43.31 -14.70 15.94 -43.43 -15.11 18.30 -44.55 -14.05 18.51 3 0 1000.00-999 ?-999 ?-999 ? mTYR^B 19 -43.55 -16.83 16.59 -43.68 -17.39 17.41 -44.84 -17.74 14.59 -45.75 -18.24 15.25 -43.51 -17.38 15.23 -42.60 -18.62 15.22 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 20 -44.94 -17.48 13.29 -44.13 -17.04 12.90 -45.87 -19.19 11.94 -44.90 -19.40 11.22 -46.13 -17.81 12.52 -46.34 -16.80 11.39 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 21 -46.75 -20.17 12.24 -47.50 -19.87 12.83 -46.61 -21.73 10.23 -45.83 -22.52 9.70 -46.59 -21.54 11.75 -47.73 -22.28 12.44 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 22 -47.48 -21.01 9.53 -48.06 -20.39 10.06 -46.29 -20.75 7.33 -45.95 -21.36 6.31 -47.56 -21.17 8.08 -48.75 -20.39 7.49 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 23 -45.60 -19.73 7.82 -45.97 -19.33 8.66 -43.08 -19.62 7.84 -42.01 -19.45 7.26 -44.39 -19.24 7.16 -44.44 -17.72 7.00 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 24 -43.15 -20.12 9.07 -44.08 -20.21 9.44 -41.03 -19.32 10.09 -39.81 -19.47 10.15 -41.94 -20.50 9.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^B 25 -41.62 -18.14 10.28 -42.62 -18.17 10.20 -41.60 -16.18 11.70 -42.79 -16.42 11.94 -40.87 -16.93 10.59 -40.77 -16.03 9.35 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 26 -40.89 -15.27 12.39 -39.94 -15.18 12.10 -42.35 -13.36 12.90 -42.10 -12.88 11.79 -41.50 -14.51 13.47 -40.43 -13.98 14.44 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 27 -43.35 -12.95 13.67 -43.42 -13.42 14.55 -43.62 -10.56 12.92 -44.15 -9.79 12.12 -44.28 -11.90 13.25 -45.38 -11.67 14.32 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 28 -42.46 -10.29 13.51 -42.13 -11.00 14.13 -41.10 -9.06 11.87 -41.33 -8.19 11.03 -41.78 -9.03 13.24 -40.72 -8.73 14.35 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 29 -40.26 -10.07 11.64 -40.15 -10.72 12.40 -40.51 -10.47 9.20 -40.16 -10.28 8.04 -39.56 -10.18 10.36 -38.46 -11.22 10.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 30 -41.72 -10.93 9.52 -41.86 -11.07 10.50 -43.44 -9.91 8.13 -44.11 -9.83 7.10 -42.73 -11.20 8.51 -43.76 -12.20 9.04 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 31 -43.28 -8.88 8.97 -42.70 -9.07 9.76 -45.39 -7.55 9.10 -46.14 -6.74 8.57 -43.92 -7.60 8.70-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^B 32 -45.80 -8.40 10.03 -45.08 -8.99 10.40 -47.55 -7.38 11.52 -48.72 -7.12 11.77 -47.20 -8.44 10.47 -47.54 -9.82 11.04 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 33 -46.55 -6.79 12.16 -45.63 -7.09 11.88 -46.88 -4.41 12.53 -45.88 -3.91 12.00 -46.81 -5.79 13.18 -45.71 -5.81 14.28 3 0 1000.00-999 ?-999 ?-999 ? mTYR^B 34 -48.07 -3.81 12.57 -48.77 -4.33 13.06 -48.12 -1.31 12.88 -47.83 -0.20 12.41 -48.31 -2.51 11.96 -49.73 -2.47 11.39 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 35 -48.32 -1.51 14.17 -48.59 -2.44 14.42 -47.90 -1.08 16.48 -48.44 -2.15 16.76 -48.14 -0.42 15.13 -49.40 0.45 15.21 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 36 -47.11 -0.42 17.32 -46.75 0.44 16.95 -46.58 0.26 19.58 -45.71 1.10 19.32 -46.81 -0.92 18.65 -45.56 -1.79 18.63 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 37 -47.36 0.33 20.65 -48.04 -0.41 20.72 -47.24 0.79 23.01 -48.21 0.14 23.38 -47.22 1.40 21.61 -48.36 2.43 21.50 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 38 -46.17 0.98 23.76 -45.44 1.51 23.32 -45.98 1.61 26.09 -44.93 2.26 26.18 -46.10 0.45 25.11 -44.90 -0.50 25.28 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 39 -47.07 1.88 26.80 -47.84 1.28 26.59 -47.81 2.44 29.04 -49.02 2.54 29.20 -47.13 2.97 27.78 -47.91 4.16 27.21 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 40 -47.02 1.84 29.95 -46.05 1.80 29.71 -48.70 2.15 31.78 -48.61 3.38 31.80 -47.59 1.29 31.19 -46.37 1.18 32.09 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 41 -49.76 1.52 32.28 -50.44 2.16 32.63 -50.60 -0.52 31.06 -51.20 -1.60 31.12 -49.99 0.07 32.33 -50.94 -0.06 33.51 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 42 -50.44 0.15 29.93 -49.91 1.00 30.01 -50.04 -0.62 27.57 -48.97 -0.01 27.49 -51.03 -0.34 28.69 -52.06 0.65 28.15 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 43 -50.42 -1.55 26.71 -51.29 -1.99 26.95 -50.68 -2.07 24.46 -51.73 -2.67 24.70 -49.63 -1.90 25.54 -48.87 -3.19 25.75 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 44 -50.40 -1.51 23.28 -49.52 -1.04 23.25 -50.54 -2.08 20.95 -49.41 -1.66 20.73 -51.32 -1.60 22.15 -51.94 -0.23 21.84 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 45 -51.14 -2.98 20.19 -52.05 -3.27 20.50 -51.55 -3.69 17.93 -52.63 -4.20 18.21 -50.49 -3.47 18.99 -49.69 -4.78 19.28 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 46 -51.25 -3.22 16.72 -50.37 -2.74 16.67 -51.33 -4.31 14.67 -50.17 -4.05 14.39 -52.15 -3.39 15.58 -52.45 -2.05 14.88 2 0 1000.00-999 ?-999 ?-999 ? mMETB 47 -51.94 -5.40 14.24 -52.90 -5.50 14.53 -52.19 -6.97 12.39 -53.39 -6.72 12.43 -51.24 -6.36 13.41 -50.68 -7.49 14.28 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 48 -51.64 -7.78 11.50 -50.65 -7.90 11.57 -52.08 -9.92 10.46 -51.23 -10.37 11.24 -52.47 -8.44 10.51 -52.30 -7.78 9.11 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 49 -52.73 -10.66 9.56 -53.41 -10.14 9.03 -52.02 -12.26 7.92 -52.26 -11.39 7.09 -52.47 -12.09 9.38 -53.74 -12.90 9.65 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 50 -51.36 -13.38 7.61 -51.25 -14.02 8.37 -51.90 -13.98 5.19 -51.59 -13.97 4.00 -50.87 -13.60 6.25 -49.76 -14.67 6.22 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 51 -53.10 -14.33 5.63 -53.21 -14.33 6.62 -55.44 -13.96 5.11 -55.65 -13.67 6.30 -54.17 -14.69 4.70 -54.46 -16.21 4.71 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 52 -56.31 -13.66 4.14 -56.03 -13.94 3.23 -58.53 -13.81 5.26 -58.41 -15.04 5.30 -57.57 -12.96 4.44 -58.13 -12.66 3.04 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 53 -59.46 -13.15 5.94 -59.42 -12.16 5.84 -60.11 -14.00 8.21 -58.94 -14.04 8.60 -60.45 -13.86 6.74-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mCSS^B 54 -61.14 -14.05 9.04 -62.03 -13.97 8.59 -60.93 -15.70 10.79 -61.83 -16.43 10.40 -60.95 -14.22 10.48 -62.09 -13.58 11.25 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 55 -59.90 -16.17 11.49 -59.21 -15.50 11.76 -60.77 -17.95 12.98 -61.16 -17.07 13.74 -59.84 -17.60 11.81 -58.37 -17.81 12.14 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 56 -61.12 -19.23 13.11 -60.76 -19.85 12.42 -61.35 -19.27 15.55 -62.03 -18.84 16.47 -61.99 -19.64 14.22 -62.26 -21.15 14.19 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 57 -60.03 -19.46 15.64 -59.64 -19.85 14.80 -58.07 -18.29 16.36 -57.26 -18.78 15.58 -59.24 -19.15 16.84 -58.63 -20.41 17.46 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 58 -57.97 -17.04 16.81 -58.70 -16.75 17.43 -55.67 -16.51 17.32 -55.32 -15.70 18.17 -56.85 -16.20 16.40 -57.19 -14.71 16.52 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 59 -55.05 -17.67 17.13 -55.41 -18.22 16.37 -52.68 -17.24 17.84 -51.91 -17.10 18.80 -53.94 -18.09 17.98 -53.63 -19.57 17.73 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 60 -52.46 -16.66 16.66 -53.15 -16.85 15.96 -51.46 -14.52 17.23 -50.54 -14.05 17.90 -51.28 -15.82 16.45 -51.09 -15.49 14.95 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 61 -52.66 -13.94 17.16 -53.32 -14.40 16.57 -52.80 -13.00 19.39 -52.30 -12.17 20.15 -52.93 -12.72 17.90-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^B 62 -53.25 -14.18 19.81 -53.64 -14.75 19.09 -51.70 -14.70 21.66 -51.34 -14.31 22.78 -53.17 -14.58 21.22 -53.88 -15.93 21.42 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 63 -50.87 -15.23 20.78 -51.29 -15.50 19.91 -48.77 -14.04 21.21 -47.90 -13.85 22.05 -49.45 -15.40 21.09 -48.77 -16.24 20.01 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 64 -49.18 -13.10 20.36 -49.87 -13.39 19.71 -49.03 -11.09 21.75 -48.22 -10.43 22.39 -48.61 -11.76 20.43 -49.09 -10.87 19.25 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 65 -50.29 -11.27 22.14 -50.84 -11.83 21.52 -50.00 -11.23 24.57 -49.58 -10.47 25.44 -50.79 -10.68 23.37 -52.29 -10.98 23.53 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 66 -49.80 -12.54 24.59 -50.21 -13.02 23.81 -47.63 -12.69 25.75 -47.12 -12.44 26.85 -49.05 -13.22 25.65 -48.97 -14.72 25.35 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 67 -46.98 -12.55 24.61 -47.50 -12.80 23.79 -45.51 -10.67 25.21 -44.63 -10.42 26.05 -45.61 -12.06 24.58 -45.10 -12.03 23.14 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 68 -46.41 -9.77 24.82 -47.07 -10.11 24.16 -46.72 -8.37 26.84 -46.24 -7.49 27.56 -46.38 -8.42 25.36 -47.36 -7.51 24.59 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 69 -47.54 -9.30 27.30 -47.87 -9.96 26.63 -46.69 -9.64 29.58 -46.71 -9.40 30.80 -47.91 -9.31 28.72 -49.03 -10.33 28.98 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 70 -45.64 -10.18 28.97 -45.77 -10.33 27.99 -43.67 -9.23 30.12 -42.79 -9.28 30.98 -44.40 -10.51 29.68 -43.45 -11.32 28.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 71 -44.03 -8.10 29.53 -44.75 -8.20 28.84 -43.84 -6.39 31.29 -45.01 -6.52 31.67 -43.42 -6.82 29.89 -43.83 -5.74 28.89 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 72 -42.90 -5.86 32.08 -41.99 -5.78 31.69 -44.17 -4.20 33.44 -43.98 -3.27 32.65 -43.27 -5.43 33.43 -41.91 -5.16 34.08 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 73 -45.17 -4.21 34.32 -45.24 -5.04 34.88 -47.16 -2.98 33.38 -47.93 -2.02 33.39 -46.07 -3.08 34.43-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^B 74 -47.23 -3.94 32.46 -46.54 -4.66 32.55 -49.43 -4.78 31.89 -49.39 -6.01 31.77 -48.26 -3.91 31.43 -47.71 -4.41 30.07 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 75 -50.47 -4.15 32.42 -50.38 -3.15 32.45 -52.74 -5.05 31.86 -53.62 -5.89 32.03 -51.64 -4.87 32.90 -52.22 -4.17 34.13 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 76 -52.69 -4.26 30.80 -51.92 -3.61 30.80 -53.00 -4.37 28.37 -52.25 -3.45 28.03 -53.68 -4.35 29.73 -54.64 -3.17 29.77 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 77 -53.25 -5.41 27.59 -53.85 -6.10 27.98 -53.79 -5.56 25.23 -54.56 -6.53 25.21 -52.67 -5.49 26.25 -51.77 -6.74 26.07 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 78 -53.90 -4.53 24.40 -53.24 -3.80 24.55 -54.29 -4.92 22.03 -53.37 -4.26 21.55 -54.92 -4.50 23.36 -55.51 -3.09 23.21 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 79 -54.78 -6.01 21.46 -55.52 -6.45 21.96 -55.35 -6.36 19.12 -56.35 -7.05 19.17 -54.26 -6.51 20.18 -53.85 -8.00 20.27 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 80 -55.15 -5.44 18.18 -54.30 -4.92 18.26 -55.68 -5.87 15.85 -54.60 -5.55 15.35 -56.16 -5.23 17.14 -56.41 -3.74 16.91 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 81 -56.49 -6.79 15.32 -57.32 -6.96 15.83 -56.91 -6.79 12.95 -58.14 -6.67 12.99 -56.14 -7.47 14.08 -56.50 -8.96 14.15 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 82 -56.17 -6.35 11.94 -55.19 -6.53 12.03 -56.24 -6.18 9.50 -55.21 -6.84 9.47 -56.78 -5.64 10.82 -56.47 -4.12 10.91 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 83 -56.94 -5.88 8.41 -57.78 -5.36 8.60 -56.31 -5.00 6.24 -56.29 -5.03 5.01 -56.52 -6.27 7.07 -57.58 -7.17 6.45 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 84 -56.15 -3.88 6.95 -56.22 -4.00 7.94 -54.62 -1.98 6.84 -54.56 -1.56 7.99 -55.91 -2.59 6.30 -57.10 -1.64 6.54 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 85 -53.55 -1.94 6.02 -52.75 -1.53 6.45 -53.40 -3.97 4.61 -53.00 -4.60 5.59 -53.53 -2.45 4.65 -52.30 -1.76 4.05 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 86 -53.76 -4.59 3.48 -54.08 -3.99 2.75 -52.18 -6.45 3.23 -51.41 -5.79 2.52 -53.66 -6.05 3.37 -54.49 -6.36 2.13 3 0 1000.00-999 ?-999 ?-999 ? mTRP^B 87 -51.79 -7.53 3.90 -52.53 -7.98 4.40 -50.01 -8.75 2.62 -50.84 -9.40 2.00 -50.41 -7.98 3.89 -50.18 -8.88 5.12 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 88 -48.73 -8.64 2.26 -48.22 -7.99 2.82 -46.67 -9.60 1.57 -46.17 -8.94 2.50 -48.13 -9.38 1.15 -48.10 -8.62 -0.22 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 89 -46.01 -10.53 0.87 -46.56 -10.97 0.17 -43.67 -9.67 0.96 -42.53 -9.70 1.43 -44.61 -10.86 1.11 -44.16 -11.96 0.15 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 90 -44.13 -8.61 0.30 -45.06 -8.70 -0.05 -42.95 -6.82 1.50 -42.00 -6.04 1.63 -43.28 -7.43 0.13 -43.99 -6.40 -0.76 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 91 -43.72 -7.19 2.52 -44.45 -7.83 2.29 -42.41 -7.41 4.67 -42.10 -7.04 5.81 -43.47 -6.67 3.87 -44.78 -6.61 4.66 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 92 -41.83 -8.45 4.09 -42.18 -8.67 3.18 -39.57 -8.29 4.97 -39.31 -7.40 4.16 -40.78 -9.20 4.77 -40.36 -10.42 3.95 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 93 -38.84 -8.50 6.07 -39.19 -9.22 6.66 -36.52 -8.34 5.52 -36.67 -9.44 4.99 -37.64 -7.71 6.34 -37.26 -7.80 7.82 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 94 -35.38 -7.67 5.43 -35.37 -6.79 5.91 -33.84 -9.55 5.27 -33.61 -10.52 4.55 -34.26 -8.21 4.67 -33.08 -7.24 4.70 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 95 -33.76 -9.60 6.60 -33.99 -8.74 7.06 -34.27 -11.99 6.93 -33.79 -13.11 6.73 -33.38 -10.82 7.30 -33.44 -10.60 8.82 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 96 -35.58 -11.74 6.84 -35.83 -10.79 7.03 -36.22 -13.35 5.10 -36.26 -14.60 4.95 -36.53 -12.78 6.48 -37.94 -12.23 6.51 2 0 1000.00-999 ?-999 ?-999 ?