HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-OCT-07 2ZBN COMPND UPF0310 PROTEIN PH1033; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) mMET.A 1 -4.55 39.04 -8.83 -4.23 39.28 -9.75 -4.01 39.09 -6.42 -2.97 39.67 -6.68 -5.02 38.69 -7.50 -5.25 37.18 -7.46 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 2 -4.39 38.79 -5.16 -5.31 38.39 -5.06 -3.91 38.28 -2.79 -5.07 38.23 -2.40 -3.50 39.06 -4.05 -3.49 40.56 -3.76 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 3 -2.91 37.63 -2.18 -2.02 37.65 -2.65 -2.67 37.77 0.27 -1.63 38.41 0.22 -3.16 36.94 -0.93 -2.43 35.58 -0.97 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 4 -3.44 37.79 1.36 -4.26 37.22 1.29 -3.32 37.82 3.81 -4.14 36.92 3.88 -3.09 38.58 2.53 -3.94 39.85 2.64 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 5 -2.59 38.21 4.84 -1.93 38.93 4.63 -3.16 38.83 7.03 -2.48 39.85 7.07 -2.75 37.63 6.16 -1.44 36.99 6.68 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 6 -4.32 38.71 7.67 -4.77 37.83 7.53 -4.61 39.46 9.98 -4.89 38.34 10.43 -4.86 39.78 8.50 -6.35 39.92 8.19 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 7 -4.09 40.43 10.71 -3.94 41.29 10.21 -4.79 40.81 13.08 -4.99 42.02 13.14 -3.76 40.23 12.13 -2.37 40.85 12.48 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 8 -5.44 39.94 13.84 -5.20 38.98 13.67 -6.28 39.55 16.10 -5.28 38.88 16.34 -6.41 40.37 14.82 -7.79 40.15 14.21 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 9 -7.31 39.63 16.94 -8.02 40.30 16.73 -8.69 38.04 18.23 -9.59 38.20 17.42 -7.34 38.75 18.10 -7.02 39.56 19.35 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 10 -8.78 37.18 19.26 -8.02 37.19 19.91 -11.25 37.09 19.53 -12.30 36.72 19.02 -9.95 36.31 19.36 -9.72 35.36 20.53 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 11 -11.28 38.19 20.27 -10.40 38.47 20.67 -12.97 39.53 19.13 -14.15 39.50 18.78 -12.52 38.91 20.45 -12.40 39.99 21.52 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 12 -12.02 40.10 18.39 -11.10 40.07 18.78 -12.64 39.69 16.01 -13.32 39.99 15.04 -12.36 40.71 17.12 -11.26 41.69 16.70 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 13 -12.10 38.48 16.16 -11.54 38.39 16.99 -13.78 37.01 15.24 -14.39 36.71 14.20 -12.30 37.39 15.21 -11.43 36.20 15.62 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 14 -14.36 37.02 16.43 -13.78 37.29 17.19 -16.64 37.67 15.83 -17.65 37.30 15.22 -15.76 36.66 16.56 -16.14 36.59 18.05 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 15 -16.26 38.94 15.89 -15.43 39.09 16.42 -16.85 39.80 13.70 -17.84 39.83 12.96 -16.99 40.00 15.22 -16.43 41.39 15.60 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 16 -15.62 39.60 13.26 -14.92 39.62 13.98 -16.20 38.28 11.32 -16.88 38.45 10.31 -15.32 39.39 11.86 -13.83 39.01 11.69 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 17 -16.21 37.16 12.03 -15.62 37.19 12.84 -18.49 36.30 11.62 -19.19 35.81 10.74 -16.99 36.00 11.66 -16.64 34.87 12.63 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 18 -18.99 37.12 12.55 -18.32 37.47 13.21 -20.82 38.50 11.53 -21.91 38.41 10.97 -20.40 37.46 12.56 -20.84 37.98 13.95 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 19 -19.98 39.49 11.28 -19.11 39.44 11.77 -19.78 40.46 8.94 -20.17 41.25 8.08 -20.34 40.56 10.36 -19.93 41.90 10.97 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 20 -18.89 39.50 8.70 -18.69 38.92 9.49 -17.66 40.66 6.92 -17.92 41.13 5.80 -18.26 39.35 7.38 -19.27 38.84 6.34 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 21 -16.84 41.23 7.79 -16.74 40.72 8.65 -14.74 42.42 8.08 -14.52 41.92 9.19 -16.16 42.48 7.53 -16.88 43.68 8.23 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 22 -13.78 42.90 7.29 -14.09 43.17 6.38 -12.14 44.53 7.79 -12.34 45.23 6.80 -12.40 43.01 7.75 -11.40 42.35 6.80 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 23 -11.73 45.03 8.95 -11.62 44.37 9.70 -10.09 46.78 9.64 -9.48 45.98 10.35 -11.47 46.46 9.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^A 24 -9.60 47.97 9.30 -10.19 48.52 8.71 -8.36 49.89 10.20 -9.29 50.61 9.83 -8.29 48.43 9.77 -7.22 48.28 8.66 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 25 -7.39 50.35 11.02 -6.71 49.66 11.28 -6.91 52.63 10.33 -6.38 52.13 9.34 -7.36 51.74 11.49 -6.32 51.72 12.61 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 26 -7.10 53.94 10.46 -7.53 54.21 11.32 -5.24 54.77 8.98 -4.93 54.89 7.79 -6.70 54.88 9.40 -6.98 56.33 9.83 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 27 -4.35 54.55 9.94 -4.74 54.46 10.86 -2.64 53.37 8.59 -1.66 53.46 7.84 -2.93 54.44 9.62 -2.11 54.16 10.89 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 28 -3.50 52.36 8.52 -4.26 52.41 9.16 -4.27 51.31 6.40 -4.41 50.32 5.68 -3.29 51.28 7.57 -3.37 49.94 8.29 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 29 -4.93 52.44 6.20 -4.70 53.18 6.83 -5.23 52.42 3.78 -5.84 51.97 2.81 -5.91 52.57 5.13 -6.64 53.92 5.19 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 30 -3.96 52.82 3.72 -3.60 53.17 4.59 -3.10 51.29 2.01 -3.34 50.99 0.85 -3.19 52.73 2.50 -1.78 53.27 2.73 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 31 -2.75 50.39 2.92 -2.58 50.76 3.84 -3.98 48.45 2.07 -4.03 47.70 1.09 -2.64 48.98 2.58 -2.22 48.15 3.81 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 32 -5.06 48.83 2.74 -4.88 49.46 3.50 -6.81 48.82 0.98 -7.60 48.15 0.32 -6.39 48.37 2.37 -7.44 48.85 3.38 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 33 -6.29 49.96 0.54 -5.64 50.40 1.17 -6.19 49.59 -1.89 -6.68 49.69 -3.01 -6.64 50.50 -0.76 -6.06 51.91 -0.94 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 34 -5.25 48.71 -1.60 -4.93 48.73 -0.65 -5.60 46.51 -2.68 -5.51 45.76 -3.66 -4.74 47.78 -2.60 -3.30 47.39 -2.28 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 35 -6.43 46.29 -1.67 -6.41 46.98 -0.96 -8.40 45.15 -2.67 -9.09 46.15 -2.81 -7.28 45.10 -1.63 -7.89 44.92 -0.23 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 36 -8.57 44.04 -3.39 -7.96 43.29 -3.15 -10.53 42.76 -4.26 -10.18 41.77 -3.63 -9.59 43.95 -4.44 -8.91 43.82 -5.81 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 37 -11.75 42.86 -4.82 -11.93 43.72 -5.30 -12.07 40.52 -5.30 -11.50 40.58 -6.38 -12.73 41.77 -4.72 -13.89 42.28 -5.56 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 38 -12.14 39.41 -4.57 -12.63 39.49 -3.71 -10.24 37.85 -4.32 -9.84 36.69 -4.27 -11.52 38.19 -5.06-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 39 -9.59 38.85 -3.73 -10.00 39.76 -3.87 -8.73 37.63 -1.85 -9.89 37.55 -1.44 -8.38 38.61 -2.97 -7.84 39.90 -2.35 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 40 -7.74 36.90 -1.38 -6.86 37.07 -1.82 -7.35 36.47 1.00 -6.32 37.13 1.00 -7.92 35.93 -0.30 -7.21 34.62 -0.62 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 41 -8.02 36.15 2.11 -8.83 35.59 1.96 -7.33 35.45 4.38 -8.21 34.62 4.60 -7.56 36.60 3.42 -8.58 37.55 4.04 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 42 -6.13 35.39 4.93 -5.49 36.09 4.62 -6.00 35.06 7.28 -5.30 36.03 7.58 -5.81 34.37 5.92 -4.36 33.90 5.78 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 43 -6.94 34.59 8.08 -7.44 33.80 7.74 -6.28 34.67 10.49 -6.31 33.48 10.80 -7.17 35.23 9.38 -8.65 35.10 9.81 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 44 -5.52 35.58 11.11 -5.66 36.50 10.77 -4.87 35.94 13.51 -5.11 37.15 13.56 -4.57 35.25 12.18 -3.16 35.64 11.69 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 45 -4.88 35.16 14.58 -4.72 34.19 14.39 -3.76 35.63 16.61 -3.12 34.58 16.62 -5.11 35.71 15.91 -6.16 34.90 16.74 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 46 -3.34 36.76 17.17 -3.97 37.53 17.07 -2.09 36.16 19.21 -3.15 35.80 19.72 -2.06 36.85 17.85 -1.66 38.32 18.03 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 47 -0.92 35.98 19.81 -0.12 36.28 19.27 -1.53 36.24 22.20 -1.36 37.45 22.26 -0.84 35.37 21.13 0.64 35.17 21.49 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 48 -2.37 35.58 23.02 -2.43 34.59 22.88 -3.15 35.55 25.39 -2.68 34.43 25.50 -3.11 36.31 24.06 -4.55 36.51 23.56 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 49 -3.73 36.21 26.42 -3.97 37.16 26.24 -5.46 35.47 28.01 -6.17 36.46 27.95 -3.96 35.53 27.69 -3.25 36.31 28.80 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 50 -5.94 34.24 28.30 -5.33 33.46 28.16 -7.44 34.87 30.14 -6.49 35.41 30.67 -7.31 34.15 28.80 -7.74 32.66 28.88 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 51 -8.68 34.94 30.68 -9.42 34.47 30.20 -7.99 35.09 33.05 -7.33 35.76 33.84 -8.83 35.70 31.92 -10.30 35.71 32.32 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 52 -8.09 33.75 33.11 -8.69 33.35 32.42 -5.86 33.21 34.05 -5.12 32.88 34.97 -7.37 32.96 34.09 -7.68 31.49 33.76 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 53 -5.34 33.81 32.98 -6.00 34.04 32.26 -3.14 33.10 32.03 -1.93 33.26 31.86 -3.92 34.08 32.90-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.A 54 -3.83 32.11 31.48 -4.80 32.11 31.70 -2.81 31.68 29.25 -3.53 32.52 28.70 -3.19 31.11 30.62 -4.11 29.91 30.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 55 -1.70 31.20 28.70 -1.25 30.50 29.25 -1.87 31.01 26.21 -1.84 29.78 26.06 -1.21 31.67 27.41 0.31 31.46 27.33 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 56 -2.47 31.83 25.36 -2.42 32.79 25.62 -2.22 31.69 22.98 -2.15 32.84 22.54 -3.14 31.37 24.15 -4.47 32.11 23.98 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 57 -1.51 30.69 22.49 -1.68 29.80 22.92 -1.21 31.37 20.09 -2.41 31.20 19.88 -0.57 30.90 21.40 0.25 29.63 21.15 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 58 -0.42 31.98 19.21 0.54 32.07 19.50 -1.41 31.32 17.04 -0.92 30.18 17.14 -0.95 32.46 17.94 0.22 33.23 17.35 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 59 -2.38 31.61 16.18 -2.78 32.52 16.27 -3.75 31.19 14.15 -4.27 32.29 14.30 -2.77 30.62 15.18 -3.41 29.44 15.91 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 60 -3.83 30.44 13.06 -3.29 29.60 13.10 -5.98 30.19 12.19 -6.07 29.01 12.52 -4.63 30.81 11.91 -4.02 30.24 10.64 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 61 -7.03 31.00 12.06 -6.81 31.93 11.75 -9.34 30.46 11.15 -10.51 30.13 11.32 -8.38 30.54 12.34 -9.04 31.41 13.42 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 62 -8.85 30.76 9.95 -7.88 31.03 9.92 -9.22 31.39 7.57 -8.19 32.07 7.60 -9.72 30.67 8.80-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE^A 63 -9.93 31.20 6.47 -10.71 30.59 6.59 -10.87 32.44 4.61 -11.90 31.78 4.55 -9.60 31.85 5.20 -9.00 30.85 4.19 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 64 -10.78 33.68 4.16 -9.88 34.09 4.25 -11.60 34.94 2.23 -10.45 35.05 1.85 -11.93 34.36 3.60 -12.36 35.52 4.52 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 65 -12.65 35.34 1.51 -13.54 35.17 1.94 -13.12 37.34 0.29 -14.21 37.50 0.85 -12.47 35.97 0.21 -13.15 35.17 -0.91 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 66 -12.44 38.34 -0.27 -11.56 38.07 -0.67 -14.07 39.78 -1.33 -13.95 39.22 -2.42 -12.94 39.70 -0.29 -11.82 40.70 -0.67 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 67 -15.14 40.48 -0.99 -15.10 40.90 -0.08 -16.65 42.03 -2.23 -17.53 42.26 -3.06 -16.28 40.60 -1.89 -17.55 39.94 -1.29 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 68 -15.99 42.99 -1.60 -15.29 42.68 -0.95 -15.03 45.21 -2.04 -13.94 44.78 -1.68 -16.29 44.39 -1.88 -17.12 45.01 -0.73 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 69 -15.20 46.40 -2.62 -16.13 46.59 -2.92 -14.01 47.97 -1.40 -14.98 48.00 -0.66 -14.09 47.32 -2.78 -14.43 48.38 -3.82 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 70 -12.84 48.51 -1.04 -12.10 48.44 -1.72 -13.69 50.31 0.44 -13.99 51.03 -0.52 -12.69 49.16 0.27 -11.25 49.65 0.26 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 71 -14.20 50.47 1.65 -13.89 49.80 2.33 -14.95 52.02 3.38 -14.16 51.45 4.14 -15.14 51.54 1.95 -16.58 51.06 1.73 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 72 -15.67 53.08 3.75 -16.27 53.44 3.04 -16.91 53.53 5.84 -17.95 53.84 5.28 -15.57 53.64 5.10 -15.15 55.13 5.05 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 73 -16.85 53.07 7.09 -15.93 52.86 7.41 -17.61 52.95 9.36 -16.80 52.14 9.79 -18.05 52.90 7.90 -18.70 51.54 7.61 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 74 -18.15 53.90 10.11 -18.81 54.48 9.63 -18.67 53.29 12.51 -18.56 53.50 13.72 -17.80 54.07 11.52 -17.81 55.56 11.86 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 75 -19.51 52.40 12.02 -19.51 52.31 11.02 -19.48 50.96 13.97 -18.38 50.49 13.68 -20.36 51.62 12.91 -21.12 50.54 12.14 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 76 -19.97 50.92 15.21 -20.87 51.33 15.32 -19.42 48.84 16.47 -20.07 48.40 17.41 -19.20 50.33 16.30 -19.51 51.05 17.62 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 77 -18.86 48.04 15.56 -18.34 48.51 14.84 -17.84 45.93 16.37 -18.02 44.90 17.01 -19.01 46.60 15.67 -19.21 45.95 14.28 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 78 -16.65 46.51 16.25 -16.65 47.35 15.71 -15.28 46.45 18.32 -16.10 47.21 18.84 -15.47 45.94 16.89 -14.21 46.27 16.08 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 79 -14.19 46.02 18.95 -13.62 45.40 18.41 -12.36 46.53 20.53 -11.64 45.53 20.47 -13.87 46.42 20.32 -14.47 45.42 21.32 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 80 -11.86 47.76 20.77 -12.55 48.49 20.78 -9.90 47.27 22.23 -9.61 47.89 23.25 -10.43 47.99 20.99 -10.34 49.51 21.13 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 83 -8.98 49.30 25.50 -9.28 48.51 24.98 -8.81 51.75 25.52 -9.10 52.78 26.13 -8.55 50.46 26.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 84 -8.69 51.69 24.20 -8.43 50.79 23.83 -10.33 52.87 22.83 -11.21 52.21 23.38 -8.91 52.87 23.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS.A 85 -10.55 53.61 21.75 -9.75 54.10 21.41 -11.79 53.67 19.60 -12.47 54.45 18.93 -11.87 53.67 21.13 -12.62 54.90 21.63 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 86 -10.94 52.80 19.06 -10.45 52.25 19.73 -11.97 51.89 17.06 -12.48 50.98 17.72 -10.77 52.66 17.61 -9.48 51.89 17.31 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 87 -12.42 52.26 15.87 -11.93 53.01 15.43 -13.22 50.75 14.05 -14.04 49.96 13.59 -13.56 51.57 15.28 -14.69 52.57 14.92 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 88 -12.01 50.94 13.52 -11.45 51.60 14.01 -12.58 50.49 11.21 -13.16 49.56 10.63 -11.57 50.21 12.33 -11.51 48.71 12.61 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 89 -12.78 51.77 10.89 -12.22 52.40 11.43 -13.35 51.87 8.42 -14.22 51.86 7.56 -13.71 52.22 9.86 -13.76 53.73 10.10 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 90 -12.07 51.59 8.15 -11.46 51.64 8.94 -11.87 49.75 6.58 -11.14 48.92 7.11 -11.65 51.25 6.79 -10.20 51.67 6.61 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 91 -12.88 49.43 5.78 -13.32 50.20 5.32 -13.55 47.50 4.20 -13.72 48.25 3.24 -13.28 48.04 5.59 -14.56 47.84 6.41 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 92 -13.58 46.17 4.12 -13.33 45.72 4.97 -14.85 44.32 3.38 -14.62 43.73 4.44 -13.96 45.46 2.90 -12.77 44.85 2.11 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 93 -15.90 44.04 2.61 -16.00 44.65 1.82 -16.09 41.66 2.49 -15.24 41.66 1.59 -16.81 42.95 2.90 -18.13 43.11 2.12 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 94 -16.45 40.57 3.15 -17.19 40.70 3.81 -16.79 38.14 3.09 -17.91 38.32 3.58 -15.81 39.30 2.92 -14.64 39.08 3.94 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 95 -16.34 36.96 2.70 -15.42 36.97 2.30 -16.16 34.66 3.17 -15.02 34.64 2.68 -17.14 35.76 2.84 -17.92 35.44 1.55 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 96 -16.58 33.71 4.02 -17.54 33.84 4.28 -15.53 31.51 3.47 -16.43 31.06 2.77 -15.77 32.60 4.52 -16.53 31.98 5.69 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 97 -14.25 31.11 3.35 -13.58 31.64 3.87 -13.73 28.70 3.33 -14.25 27.63 3.03 -13.91 29.97 2.50 -12.61 30.30 1.77 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 98 -12.92 28.84 4.39 -12.45 29.72 4.47 -12.50 28.28 6.75 -11.87 29.31 6.95 -12.75 27.75 5.34 -11.57 26.89 4.88 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 99 -13.06 27.57 7.72 -13.57 26.77 7.39 -12.37 26.75 9.88 -12.98 25.69 9.95 -12.94 27.94 9.12 -14.30 28.28 9.73 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 100 -11.19 26.95 10.45 -10.81 27.87 10.32 -9.29 26.51 11.82 -8.73 27.44 11.25 -10.53 25.90 11.21-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 101 -8.85 26.01 12.97 -9.38 25.26 13.36 -6.44 25.68 13.58 -6.56 24.47 13.81 -7.66 26.59 13.56 -7.94 27.12 14.98 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 102 -5.28 26.27 13.32 -5.37 27.25 13.12 -2.97 26.49 13.97 -2.93 27.69 13.69 -4.01 25.57 13.32 -3.55 25.20 11.89 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 103 -2.15 25.93 14.85 -2.29 24.95 15.01 -0.20 27.33 14.47 0.16 26.68 13.49 -1.13 26.73 15.52 -0.34 25.87 16.50 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 104 0.17 28.58 14.68 -0.18 28.99 15.52 2.52 28.98 13.82 3.20 28.87 12.81 1.02 29.28 13.72 0.82 30.79 13.85 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 105 3.01 28.85 15.05 2.34 28.93 15.79 5.05 27.52 14.41 6.06 27.77 13.74 4.43 28.61 15.28 4.67 28.31 16.76 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 106 4.45 26.32 14.39 3.63 26.25 14.96 5.19 25.53 12.11 5.93 24.83 11.42 4.99 25.22 13.59 3.97 24.11 13.80 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 107 4.55 26.58 11.62 4.00 27.10 12.28 5.77 27.93 9.91 6.17 28.08 8.76 4.66 26.93 10.21 3.35 27.51 9.70 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 108 6.25 28.61 10.94 5.85 28.36 11.82 8.45 29.29 9.86 8.81 30.07 8.98 7.27 29.64 10.76 7.80 30.11 12.14 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 109 9.04 28.12 10.06 8.65 27.57 10.80 9.84 27.54 7.78 10.67 27.78 6.90 10.19 27.72 9.24 10.79 26.41 9.76 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 110 8.60 27.14 7.51 8.01 27.02 8.31 7.61 28.14 5.42 7.50 28.14 4.19 8.18 26.91 6.14 7.16 25.77 6.11 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 111 7.28 29.18 6.17 7.44 29.07 7.15 7.78 31.28 4.95 8.66 31.81 5.64 6.72 30.39 5.56 5.91 31.17 6.59 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 112 7.69 31.47 3.64 6.91 31.01 3.21 8.69 33.76 3.31 9.77 34.35 3.35 8.65 32.28 2.91 8.38 32.17 1.41 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 113 7.53 34.35 3.58 6.72 33.77 3.53 8.23 36.05 5.25 8.65 37.18 5.51 7.51 35.77 3.93 6.08 36.31 3.97 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 114 8.39 35.03 6.08 8.00 34.16 5.77 10.59 34.99 7.11 11.07 33.85 7.16 9.10 35.22 7.34 8.60 34.26 8.43 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 115 11.30 36.08 6.83 10.76 36.92 6.81 13.53 35.69 7.84 14.32 34.74 7.86 12.73 36.04 6.58 13.19 37.40 6.06 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 116 13.31 36.47 8.90 12.63 37.19 8.74 13.19 35.33 11.04 12.24 35.75 11.72 13.99 36.27 10.16 14.16 37.63 10.85 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 117 13.55 34.05 11.04 14.33 33.84 10.45 12.99 33.40 13.33 12.06 33.26 14.11 12.84 33.07 11.85 13.37 31.66 11.58 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 118 14.19 33.84 13.69 14.84 33.90 12.94 13.55 35.24 15.61 12.88 35.03 16.63 14.51 34.19 15.07 15.95 34.72 15.14 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 119 13.47 36.38 14.92 14.05 36.41 14.11 11.47 37.63 14.30 11.35 38.66 13.63 12.59 37.46 15.33 13.40 38.76 15.47 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 120 10.64 36.59 14.16 10.83 35.82 14.76 8.54 37.75 13.48 7.93 38.26 12.55 9.55 36.64 13.19 8.83 35.28 13.11 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 121 8.37 38.11 14.75 8.93 37.60 15.40 7.67 40.40 14.26 6.77 41.19 13.98 7.43 39.18 15.14 7.64 39.57 16.61 2 0 1000.00-999 ?-999 ?-999 ? mMET~A 122 8.91 40.54 13.83 9.52 39.81 14.15 8.46 41.81 11.75 8.21 42.92 11.28 9.38 41.62 12.97 10.79 41.24 12.54 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 123 7.97 40.68 11.21 8.20 39.83 11.69 5.69 41.09 10.31 4.88 41.34 9.43 7.15 40.75 10.00 7.25 39.39 9.29 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 124 5.37 41.06 11.62 6.12 40.83 12.25 3.91 42.75 12.70 2.85 43.35 12.81 4.01 41.36 12.06 3.60 40.29 13.07 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 125 5.09 43.26 13.13 5.90 42.73 12.86 4.45 45.68 13.28 4.74 46.08 12.16 5.15 44.48 13.93 6.63 44.81 14.16 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 126 3.47 46.23 14.02 3.25 45.76 14.88 2.07 47.22 12.23 1.94 48.13 11.41 2.79 47.44 13.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS.A 127 1.64 45.97 12.00 1.85 45.30 12.71 -0.54 45.24 11.07 -0.83 44.56 12.04 0.91 45.66 10.78 1.64 44.53 10.06 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 128 -1.47 45.65 10.21 -1.13 46.25 9.48 -3.00 43.99 9.46 -3.64 43.01 9.84 -2.86 45.23 10.33 -3.79 46.31 9.83 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 129 -2.37 44.04 8.29 -1.88 44.89 8.13 -1.23 43.10 6.42 -0.70 44.19 6.26 -2.42 42.95 7.34 -3.72 43.03 6.51 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 130 -0.79 42.00 5.82 -1.27 41.15 6.05 0.18 41.03 3.79 -0.41 39.96 4.00 0.32 42.07 4.88 1.65 41.90 5.60 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 131 0.72 41.34 2.62 1.17 42.23 2.59 1.38 39.14 1.75 2.42 39.12 2.40 0.64 40.44 1.49 1.20 41.13 0.24 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 132 0.81 38.05 1.25 -0.05 38.22 0.77 1.81 36.18 0.04 1.09 36.34 -0.95 1.40 36.73 1.40 0.41 35.74 2.00 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 133 2.99 35.56 -0.03 3.53 35.51 0.81 2.50 33.78 -1.57 2.11 33.09 -0.63 3.39 35.00 -1.33 4.86 34.63 -1.11 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 134 2.17 33.53 -2.84 2.55 34.17 -3.50 1.66 31.09 -2.53 0.78 30.37 -2.05 1.30 32.41 -3.20 1.30 32.23 -4.72 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 135 2.94 30.76 -2.50 3.56 31.43 -2.92 2.87 29.46 -0.45 2.26 28.48 -0.04 3.38 29.52 -1.88 4.91 29.42 -1.87 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 136 3.13 30.52 0.30 3.63 31.25 -0.18 1.22 30.38 1.84 0.77 29.64 2.72 2.71 30.60 1.69 3.10 31.95 2.29 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 137 0.44 31.04 0.99 0.93 31.63 0.34 -1.40 29.43 0.84 -2.16 28.88 1.64 -1.01 30.90 1.03 -1.67 31.72 -0.06 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 138 -0.88 28.82 -0.22 -0.28 29.40 -0.77 -0.83 26.51 0.65 -1.61 25.63 1.01 -1.18 27.42 -0.52 -0.43 26.97 -1.77 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 139 0.34 26.73 1.23 0.88 27.47 0.84 -0.31 25.94 3.44 -0.74 24.90 3.94 0.76 25.92 2.37 2.09 26.45 2.94 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 140 -0.77 27.14 3.79 -0.34 27.89 3.30 -3.12 26.70 4.35 -3.81 26.03 5.12 -1.80 27.30 4.80 -2.00 28.80 5.11 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 141 -3.48 26.96 3.10 -2.83 27.52 2.58 -4.79 24.93 2.72 -5.81 24.38 3.14 -4.73 26.44 2.55 -4.85 26.80 1.06 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 142 -3.69 24.26 2.40 -2.93 24.84 2.07 -3.81 22.36 3.95 -4.67 21.54 4.24 -3.61 22.81 2.52 -2.26 22.30 2.01 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 143 -3.00 22.90 4.85 -2.35 23.57 4.48 -4.43 22.86 6.89 -4.77 22.31 7.94 -3.08 22.54 6.26 -1.98 23.26 7.03 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 144 -5.19 23.73 6.25 -4.80 24.07 5.39 -7.67 23.51 6.06 -8.83 23.86 6.33 -6.49 24.14 6.78 -6.61 25.67 6.69 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 145 -7.39 22.60 5.14 -6.42 22.42 5.02 -9.34 21.09 5.28 -9.19 21.20 6.53 -8.44 21.92 4.37 -7.80 21.04 3.29 3 0 1000.00-999 ?-999 ?-999 ?