HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-JAN-04 1V8D COMPND HYPOTHETICAL PROTEIN (TT1679); COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11B AUTHOR S.KISHISHITA,T.TERADA,M.SHIROUZU,S.KURAMITSU,S.YOKOYAMA, AUTHOR 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET ZN A 401 1 HET ZN A1402 1 SITE 1 AC1 4 GLU A 94 HOH A1462 HOH A1477 HIS B 90 SITE 1 AC2 4 HIS A 90 HOH A1463 HOH A1495 GLU B 94 mMET~A 40 -17.43 -16.23 -29.30 -18.14 -16.86 -29.61 -16.20 -14.08 -29.76 -16.06 -12.93 -29.30 -16.35 -15.28 -28.82 -15.02 -16.03 -28.74 2 0 8.86-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~A 41 -16.21 -14.33 -31.08 -16.32 -15.30 -31.33 -17.13 -12.15 -31.78 -16.92 -10.97 -32.01 -16.06 -13.23 -32.05 -16.10 -13.74 -33.50 2 0 8.04-999 ?-999 ?-999 ? ZN ZN A1402 mGLY~A 42 -18.28 -12.56 -31.26 -18.34 -13.55 -31.14 -18.84 -10.67 -29.81 -19.15 -9.46 -29.82 -19.34 -11.60 -30.92-999.99-999.99-999.99 1 0 11.51-999 ?-999 ?-999 ? ZN ZN A1402 mILE~A 43 -18.06 -11.22 -28.85 -17.89 -12.20 -28.93 -16.43 -9.50 -28.32 -16.45 -8.34 -28.03 -17.50 -10.42 -27.78 -16.96 -11.30 -26.70 3 0 10.71-999 ?-999 ?-999 ? ZN ZN A1402 mARG~A 44 -15.53 -9.95 -29.17 -15.60 -10.92 -29.40 -15.19 -7.94 -30.56 -14.79 -6.75 -30.51 -14.54 -9.02 -29.68 -13.46 -9.75 -30.47 2 0 8.25-999 ?-999 ?-999 ? ZN ZN A1402 mARG~A 45 -16.21 -8.30 -31.32 -16.48 -9.27 -31.27 -17.52 -6.18 -31.27 -17.39 -5.03 -31.55 -16.85 -7.28 -32.14 -17.89 -7.88 -33.09 2 0 10.95-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 46 -18.27 -6.57 -30.24 -18.37 -7.56 -30.15 -17.73 -4.72 -28.68 -17.90 -3.55 -28.45 -18.87 -5.58 -29.34 -19.67 -6.27 -28.28 2 0 13.74-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 47 -16.58 -5.32 -28.40 -16.56 -6.30 -28.61 -14.94 -3.59 -28.82 -14.69 -2.43 -28.45 -15.46 -4.58 -27.81 -14.35 -5.48 -27.35 2 0 12.38-999 ?-999 ?-999 ? ZN ZN A1402 mGLN~A 48 -14.80 -4.01 -30.09 -15.05 -4.97 -30.24 -15.25 -1.95 -31.38 -14.78 -0.86 -31.60 -14.31 -3.12 -31.14 -14.11 -3.87 -32.49 2 0 11.37-999 ?-999 ?-999 ? ZN ZN A 401 mARG~A 49 -16.56 -2.17 -31.34 -16.82 -3.12 -31.15 -17.45 -0.06 -30.44 -17.60 1.13 -30.68 -17.51 -1.08 -31.58 -18.97 -1.58 -31.66 2 0 15.14-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 50 -17.30 -0.57 -29.24 -17.24 -1.57 -29.26 -16.02 1.17 -28.06 -16.17 2.33 -27.85 -17.22 0.20 -28.00 -17.13 -0.73 -26.78 2 0 16.02-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 51 -14.88 0.64 -28.43 -14.92 -0.34 -28.61 -13.82 2.45 -29.61 -13.57 3.60 -29.31 -13.69 1.34 -28.59 -12.61 0.37 -29.03 2 0 13.93-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 52 -14.20 2.11 -30.84 -14.39 1.14 -30.94 -15.27 4.20 -31.52 -14.98 5.36 -31.68 -14.31 3.10 -31.94 -14.84 2.49 -33.28 2 0 15.26-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 53 -16.41 3.83 -31.01 -16.56 2.84 -30.93 -16.77 5.75 -29.47 -16.87 6.99 -29.50 -17.34 4.83 -30.60 -18.56 4.08 -30.17 2 0 18.64-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 54 -16.17 5.12 -28.47 -16.21 4.13 -28.58 -14.51 6.83 -27.85 -14.57 7.98 -27.57 -15.52 5.82 -27.33 -14.78 4.77 -26.44 3 0 18.68-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 55 -13.59 6.39 -28.69 -13.65 5.43 -28.94 -13.18 8.35 -30.14 -12.56 9.34 -30.43 -12.59 7.29 -29.17 -11.49 6.47 -29.84 3 0 17.94-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~A 56 -14.42 8.17 -30.51 -14.89 7.36 -30.15 -15.55 10.19 -30.53 -15.39 11.34 -30.82 -15.00 9.12 -31.40 -16.10 8.44 -32.21 2 0 20.53-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 57 -16.21 9.80 -29.47 -16.29 8.81 -29.37 -15.65 11.40 -27.75 -15.81 12.53 -27.34 -16.77 10.75 -28.56 -17.76 10.05 -27.57 2 0 23.08-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 58 -14.56 10.68 -27.48 -14.60 9.76 -27.88 -12.14 10.82 -27.34 -11.52 9.81 -27.03 -13.43 11.19 -26.66 -13.51 10.53 -25.26 3 0 22.22-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 59 -11.72 11.63 -28.31 -12.34 12.40 -28.45 -9.23 11.50 -28.28 -8.52 12.50 -28.34 -10.49 11.41 -29.11 -10.59 12.49 -30.23 3 0 20.92-999 ?-999 ?-999 ? ZN ZN A 401 mMET.A 60 -8.93 10.47 -27.47 -9.54 9.68 -27.54 -6.43 10.85 -27.28 -6.11 10.24 -28.27 -7.75 10.57 -26.57 -7.62 9.31 -25.73 2 0 19.97-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 61 -5.63 11.79 -26.71 -6.01 12.19 -25.88 -3.18 11.22 -26.94 -3.27 10.43 -25.99 -4.32 12.19 -27.28 -4.00 13.70 -26.79 2 0 21.06-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 62 -2.09 11.25 -27.70 -2.10 11.92 -28.45 -0.51 10.66 -25.92 -0.65 11.83 -25.53 -0.98 10.34 -27.42 0.09 10.77 -28.46 3 0 19.51-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 63 -0.01 9.71 -25.11 0.02 8.79 -25.51 -0.68 10.07 -22.70 -0.44 10.12 -21.49 0.43 10.04 -23.74-999.99-999.99-999.99 1 0 20.65-999 ?-999 ?-999 ? ZN ZN A 401 mSER.A 64 -1.93 10.02 -23.15 -2.04 10.01 -24.14 -3.09 8.55 -21.64 -2.35 7.65 -22.09 -3.03 9.98 -22.22 -4.32 10.42 -22.90 2 0 20.76-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 65 -3.94 8.32 -20.63 -4.53 9.09 -20.39 -5.37 6.47 -19.85 -6.25 7.11 -19.32 -3.97 7.01 -19.96 -3.40 7.15 -18.52 3 0 19.44-999 ?-999 ?-999 ? ZN ZN A 401 mPHE^A 66 -5.54 5.24 -20.28 -4.71 4.81 -20.61 -6.88 3.41 -19.34 -5.94 2.59 -19.35 -6.90 4.63 -20.25 -7.28 4.28 -21.76 3 0 17.63-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 67 -7.92 3.27 -18.56 -8.63 3.96 -18.70 -9.12 1.18 -17.93 -10.31 1.56 -18.06 -7.99 2.18 -17.60 -8.19 2.73 -16.07 3 0 18.12-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 68 -8.73 -0.09 -18.00 -7.75 -0.24 -17.85 -9.97 -2.00 -17.02 -9.06 -2.52 -16.43 -9.70 -1.13 -18.27 -9.20 -2.06 -19.38 3 0 16.32-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 69 -11.23 -2.14 -16.66 -11.91 -1.60 -17.15 -12.69 -3.96 -16.10 -13.54 -3.49 -16.87 -11.54 -3.05 -15.61-999.99-999.99-999.99 1 0 18.58-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 70 -12.70 -5.24 -15.66 -11.94 -5.49 -15.07 -13.80 -7.57 -15.47 -12.84 -8.09 -14.93 -13.79 -6.16 -16.05-999.99-999.99-999.99 1 0 18.20-999 ?-999 ?-999 ? ZN ZN A1402 mSER~A 71 -14.94 -8.21 -15.57 -15.68 -7.68 -15.98 -15.38 -10.47 -16.34 -16.45 -10.23 -16.96 -15.01 -9.60 -15.08 -16.10 -9.69 -14.04 2 0 18.36-999 ?-999 ?-999 ? ZN ZN A1402 mTHR~A 72 -14.49 -11.35 -16.78 -13.63 -11.35 -16.26 -15.89 -13.19 -17.55 -16.65 -13.61 -18.41 -14.77 -12.24 -17.91 -13.63 -13.10 -18.30 2 0 15.28-999 ?-999 ?-999 ? ZN ZN A1402 mSER~A 73 -15.99 -13.54 -16.27 -15.30 -13.17 -15.64 -18.43 -13.76 -16.12 -19.41 -14.43 -16.52 -17.05 -14.42 -15.87 -16.84 -14.76 -14.41 2 0 18.09-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~A 74 -18.50 -12.43 -15.93 -17.64 -12.02 -15.63 -20.08 -11.53 -17.64 -21.25 -11.35 -18.01 -19.73 -11.63 -16.14 -19.53 -10.20 -15.59 2 0 19.45-999 ?-999 ?-999 ? ZN ZN A1402 mVAL~A 75 -19.04 -11.55 -18.47 -18.15 -11.63 -18.02 -19.79 -12.78 -20.35 -20.66 -12.78 -21.19 -19.17 -11.46 -19.90 -17.80 -11.27 -20.57 3 0 16.27-999 ?-999 ?-999 ? ZN ZN A1402 mLEU~A 76 -19.29 -13.88 -19.78 -18.52 -13.70 -19.17 -21.24 -15.40 -19.48 -22.03 -16.18 -20.06 -19.81 -15.21 -20.02 -18.94 -16.27 -19.37 3 0 16.53-999 ?-999 ?-999 ? ZN ZN A1402 mGLY~A 77 -21.59 -14.70 -18.40 -20.87 -14.11 -18.03 -23.03 -15.77 -16.62 -22.05 -16.08 -15.92 -22.92 -14.81 -17.81-999.99-999.99-999.99 1 0 20.28-999 ?-999 ?-999 ? ZN ZN A1402 mTHR.A 82 -19.14 -17.49 -10.75 -19.42 -16.79 -10.10 -17.23 -18.33 -11.95 -16.60 -17.57 -11.24 -18.72 -18.51 -11.70 -19.56 -18.48 -13.04 2 0 23.03-999 ?-999 ?-999 ? ZN ZN A1402 mARG.A 83 -16.63 -19.03 -12.92 -17.22 -19.64 -13.44 -14.80 -18.07 -14.41 -15.55 -17.92 -15.38 -15.19 -18.89 -13.16 -14.50 -20.27 -13.17 2 0 20.39-999 ?-999 ?-999 ? ZN ZN A1402 mPRO.A 84 -13.58 -17.53 -14.40 -13.05 -17.74 -13.57 -12.66 -17.44 -16.75 -12.42 -18.62 -16.73 -13.08 -16.72 -15.50 -11.92 -15.97 -14.86 3 0 17.08-999 ?-999 ?-999 ? ZN ZN A1402 mSER~A 85 -12.52 -16.69 -17.83 -12.70 -15.72 -17.68 -11.07 -16.44 -19.86 -11.35 -15.29 -20.23 -12.14 -17.24 -19.11 -13.40 -17.35 -19.98 2 0 13.55-999 ?-999 ?-999 ? ZN ZN A1402 mLEU~A 86 -9.89 -17.02 -20.06 -9.80 -17.93 -19.64 -9.21 -16.09 -22.29 -8.71 -15.12 -22.92 -8.81 -16.38 -20.81 -7.51 -17.22 -20.79 3 0 11.09-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~A 87 -10.12 -16.95 -22.84 -10.44 -17.68 -22.24 -11.41 -15.52 -24.26 -11.24 -14.75 -25.15 -10.59 -16.80 -24.19 -11.46 -18.01 -24.63 2 0 8.36-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 88 -12.33 -15.33 -23.32 -12.40 -16.07 -22.66 -12.23 -12.89 -23.06 -12.42 -11.82 -23.64 -13.14 -14.13 -23.31 -14.19 -14.25 -22.25 2 0 9.70-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 89 -11.19 -13.07 -22.28 -11.10 -13.98 -21.89 -9.65 -11.61 -23.34 -9.51 -10.43 -23.62 -10.27 -11.97 -22.05 -9.10 -12.36 -21.07 2 0 9.92-999 ?-999 ?-999 ? ZN ZN A1402 mHIS~A 90 -9.19 -12.64 -24.06 -9.35 -13.54 -23.67 -9.35 -11.69 -26.30 -8.90 -10.76 -26.96 -8.50 -12.46 -25.30 -8.12 -13.80 -25.89 3 0 -6.41-999 ?-999 ?-999 ? ZN ZN A1402s mALA~A 91 -10.60 -12.02 -26.32 -10.84 -12.74 -25.67 -11.69 -9.88 -26.83 -11.74 -8.99 -27.66 -11.51 -11.38 -27.24 -12.88 -12.12 -27.17 2 0 6.02-999 ?-999 ?-999 ? ZN ZN A1402 mVAL~A 92 -11.84 -9.63 -25.55 -11.82 -10.43 -24.95 -10.75 -7.38 -25.43 -10.89 -6.28 -25.99 -12.02 -8.25 -25.08 -12.26 -8.25 -23.59 3 0 9.38-999 ?-999 ?-999 ? ZN ZN A1402 mLEU~A 93 -9.54 -7.86 -25.10 -9.54 -8.77 -24.67 -8.09 -6.93 -26.83 -7.63 -5.86 -27.23 -8.34 -7.12 -25.36 -7.10 -7.80 -24.70 3 0 7.77-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 94 -8.37 -7.95 -27.66 -8.74 -8.77 -27.23 -9.06 -6.69 -29.64 -8.64 -5.94 -30.50 -8.13 -7.80 -29.10 -8.39 -9.09 -29.89 2 0 -4.79-999 ?-999 ?-999 ? ZN ZN A 401s mGLY~A 95 -10.27 -6.56 -29.11 -10.49 -7.23 -28.40 -10.86 -4.11 -29.03 -10.95 -3.14 -29.79 -11.20 -5.52 -29.55-999.99-999.99-999.99 1 0 7.85-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 96 -10.46 -3.99 -27.76 -10.39 -4.86 -27.27 -8.77 -2.17 -27.30 -8.60 -0.95 -27.49 -10.15 -2.68 -27.16 -10.47 -2.62 -25.67 3 0 9.44-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 97 -7.76 -3.02 -27.23 -7.98 -3.99 -27.13 -5.81 -1.92 -28.61 -5.10 -0.94 -28.57 -6.42 -2.44 -27.32 -5.39 -3.36 -26.64 3 0 7.77-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~A 98 -6.01 -2.58 -29.78 -6.58 -3.41 -29.79 -5.64 -0.47 -31.24 -4.76 0.29 -31.57 -5.34 -1.96 -30.94 -5.68 -2.90 -32.09 3 0 6.57-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~A 99 -6.88 -0.06 -31.16 -7.54 -0.77 -30.91 -6.59 2.34 -30.38 -6.25 3.48 -30.76 -7.21 1.33 -31.41 -8.74 1.32 -31.41 3 0 10.15-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 100 -6.38 1.92 -29.11 -6.64 0.97 -28.96 -4.33 2.85 -28.28 -3.72 3.91 -28.32 -5.81 2.78 -28.07 -6.12 2.18 -26.67 3 0 11.88-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 101 -3.72 1.71 -28.50 -4.29 0.89 -28.52 -1.83 2.45 -29.94 -0.73 3.05 -29.92 -2.30 1.73 -28.68 -1.74 0.31 -28.60 3 0 10.76-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 102 -2.64 2.40 -31.02 -3.49 1.89 -30.92 -2.34 4.56 -32.08 -1.72 5.29 -32.87 -2.26 3.08 -32.24 -3.10 2.57 -33.45 2 0 11.62-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 103 -3.03 5.03 -31.05 -3.45 4.33 -30.48 -2.11 6.86 -29.74 -2.18 7.96 -29.24 -3.14 6.45 -30.79 -4.48 6.81 -30.21 2 0 14.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 104 -1.21 5.96 -29.37 -1.26 5.09 -29.86 -0.86 6.48 -26.95 -0.36 7.22 -26.18 -0.24 6.24 -28.33-999.99-999.99-999.99 1 0 15.56-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 105 -1.99 5.87 -26.66 -2.39 5.35 -27.41 -1.97 4.82 -24.50 -1.72 3.71 -24.99 -2.59 5.95 -25.37 -4.08 5.68 -25.49 3 0 15.81-999 ?-999 ?-999 ? ZN ZN A 401 mHIS^A 106 -1.64 5.11 -23.22 -1.82 6.07 -22.98 -2.28 3.31 -21.73 -3.32 3.90 -21.38 -1.08 4.10 -22.26 -0.43 4.81 -21.04 3 0 16.05-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 107 -2.18 1.98 -21.67 -1.31 1.60 -21.98 -3.01 0.50 -19.80 -1.96 -0.05 -19.64 -3.34 1.19 -21.17 -3.75 0.05 -22.25 3 0 14.37-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 108 -3.90 0.59 -18.83 -4.69 1.16 -19.06 -4.91 -1.09 -17.42 -6.11 -0.70 -17.69 -3.73 -0.11 -17.54 -3.81 0.91 -16.30 2 0 16.53-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 109 -4.60 -2.28 -16.93 -3.63 -2.45 -16.73 -5.70 -3.63 -15.24 -4.77 -4.16 -14.67 -5.64 -3.24 -16.73 -5.47 -4.47 -17.66 3 0 16.03-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^A 110 -6.80 -3.26 -14.64 -7.43 -2.77 -15.25 -7.33 -5.05 -12.88 -8.24 -5.66 -13.49 -7.08 -3.53 -13.24 -8.34 -2.74 -12.84 2 0 19.44-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 111 -6.56 -5.62 -11.90 -5.81 -5.05 -11.56 -7.96 -6.81 -10.39 -8.32 -5.70 -10.03 -6.82 -6.95 -11.38 -5.59 -7.56 -10.73 2 0 20.68-999 ?-999 ?-999 ? ZN ZN A 401 mCYH~A 112 -8.55 -7.93 -9.97 -8.16 -8.77 -10.34 -9.27 -7.56 -7.59 -8.09 -7.40 -7.28 -9.68 -7.91 -9.04 -10.39 -9.28 -9.07 2 0 23.31-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~A 113 -10.23 -7.46 -6.70 -11.15 -7.65 -7.04 -8.99 -8.07 -4.54 -8.42 -7.68 -3.54 -9.90 -7.09 -5.32 -11.20 -6.74 -4.61 2 0 27.13-999 ?-999 ?-999 ? ZN ZN A1402 mHIS~A 114 -8.76 -9.31 -5.01 -9.19 -9.53 -5.88 -6.51 -9.71 -4.36 -5.68 -10.02 -3.49 -7.91 -10.24 -4.25 -7.93 -11.70 -4.80 3 0 27.53-999 ?-999 ?-999 ? ZN ZN A1402 mLEU~A 115 -6.23 -8.94 -5.42 -6.97 -8.82 -6.08 -4.99 -6.88 -5.22 -4.18 -6.11 -5.67 -4.88 -8.36 -5.56 -4.30 -8.54 -6.98 3 0 26.30-999 ?-999 ?-999 ? ZN ZN A 401 mASN~A 116 -5.99 -6.49 -4.44 -6.56 -7.26 -4.16 -6.42 -4.09 -5.21 -6.12 -2.89 -5.09 -6.22 -5.04 -4.05 -5.02 -4.50 -3.23 2 0 28.07-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 117 -6.88 -4.63 -6.34 -7.08 -5.61 -6.26 -5.75 -3.27 -8.11 -5.75 -2.17 -8.64 -7.07 -3.85 -7.59 -8.08 -2.70 -7.40 2 0 24.84-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 118 -4.61 -3.94 -7.87 -4.68 -4.75 -7.29 -3.61 -3.59 -10.02 -4.47 -4.36 -10.50 -3.36 -3.47 -8.46 -2.21 -4.39 -8.13 2 0 23.91-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 119 -2.79 -2.91 -10.79 -2.03 -2.44 -10.34 -1.84 -3.31 -12.96 -0.70 -3.13 -12.51 -3.04 -2.87 -12.18 -3.45 -1.43 -12.56 3 0 20.46-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 120 -2.10 -3.98 -14.09 -3.06 -4.22 -14.20 -0.80 -3.12 -15.95 -1.79 -2.61 -16.55 -1.02 -4.33 -15.05 -1.43 -5.51 -16.06 3 0 17.58-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 121 0.46 -2.72 -16.13 1.16 -3.23 -15.62 2.18 -1.99 -17.55 2.91 -2.79 -16.94 0.77 -1.63 -17.00 0.93 -0.22 -16.32 3 0 17.06-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^A 122 2.50 -1.43 -18.71 1.77 -0.91 -19.15 4.74 -0.85 -18.30 4.35 0.11 -17.67 3.81 -1.57 -19.27 3.84 -0.84 -20.63 2 0 16.42-999 ?-999 ?-999 ? ZN ZN A 401 mARG~A 123 5.99 -1.26 -18.25 6.20 -2.02 -18.86 7.10 0.85 -17.75 7.18 1.77 -16.91 6.95 -0.62 -17.34 8.31 -1.38 -17.43 2 0 19.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 124 7.06 1.10 -19.05 6.90 0.32 -19.65 6.12 3.36 -18.98 6.38 4.51 -18.59 7.24 2.46 -19.49 7.39 2.50 -20.98 2 0 20.05-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 125 4.92 2.82 -18.90 4.86 1.87 -19.22 3.94 3.85 -16.87 3.63 4.92 -16.44 3.79 3.57 -18.38 2.43 2.78 -18.63 2 0 19.72-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 126 4.47 2.90 -16.07 4.76 2.08 -16.56 5.57 4.19 -14.42 5.36 5.08 -13.60 4.61 3.04 -14.63 5.18 1.76 -14.07 2 0 22.48-999 ?-999 ?-999 ? ZN ZN A 401 mARG~A 127 6.62 4.18 -15.22 6.65 3.41 -15.87 7.13 6.59 -15.57 7.34 7.56 -14.82 7.64 5.18 -15.15 8.82 4.73 -15.98 2 0 24.57-999 ?-999 ?-999 ? ZN ZN A 401 mALA~A 128 6.46 6.70 -16.72 6.37 5.83 -17.21 4.92 8.59 -16.28 4.83 9.82 -16.23 5.91 7.97 -17.22 5.16 7.75 -18.66 2 0 24.17-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 129 4.15 7.78 -15.56 4.31 6.80 -15.71 3.53 8.23 -13.13 2.68 8.48 -12.23 3.15 8.31 -14.65 1.74 7.66 -14.85 3 0 25.08-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 130 4.80 7.95 -12.88 5.34 7.79 -13.70 4.55 6.95 -10.65 4.18 7.29 -9.53 5.35 7.88 -11.50-999.99-999.99-999.99 1 0 27.76-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.A 131 4.29 5.76 -11.20 4.68 5.61 -12.11 4.39 3.93 -9.54 5.55 3.74 -9.88 3.49 4.78 -10.45 2.79 3.83 -11.42 2 0 26.28-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 132 3.83 3.38 -8.45 2.87 3.64 -8.34 4.40 0.99 -7.84 3.35 0.47 -7.76 4.59 2.50 -7.51 4.15 2.80 -6.06 2 0 28.08-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^A 133 5.46 0.32 -8.26 6.29 0.87 -8.37 5.20 -1.91 -7.23 5.78 -1.59 -6.14 5.41 -1.09 -8.51 6.71 -1.54 -9.19 2 0 26.29-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 134 4.31 -2.89 -7.33 3.84 -2.93 -8.21 4.46 -5.20 -6.77 4.52 -5.43 -7.95 4.02 -3.82 -6.30 2.54 -3.89 -5.86 3 0 27.24-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 135 4.76 -6.11 -5.83 4.61 -5.80 -4.89 4.19 -8.52 -6.07 3.72 -8.88 -4.95 5.25 -7.43 -6.15 6.43 -7.75 -5.24 2 0 27.42-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 136 3.80 -9.03 -7.26 4.24 -8.61 -8.05 2.64 -10.48 -8.91 3.09 -9.75 -9.80 2.81 -10.09 -7.39 1.48 -9.68 -6.75 3 0 25.52-999 ?-999 ?-999 ? ZN ZN A 401 mPHE.A 137 2.08 -11.67 -9.16 1.82 -12.17 -8.34 0.43 -12.64 -10.52 0.00 -13.47 -9.72 1.88 -12.19 -10.51 2.84 -13.33 -10.83 3 0 22.54-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 138 -0.36 -12.03 -11.44 0.05 -11.35 -12.05 -1.94 -13.78 -12.15 -1.06 -14.17 -12.95 -1.77 -12.41 -11.46 -2.40 -11.27 -12.28 3 0 20.94-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.A 139 -3.03 -14.47 -11.81 -3.57 -14.09 -11.06 -4.88 -15.58 -12.40 -5.36 -14.81 -11.64 -3.37 -15.70 -12.51 -2.74 -16.98 -11.95 3 0 19.70-999 ?-999 ?-999 ? ZN ZN A1402 mPRO.A 140 -5.65 -16.33 -13.22 -5.16 -16.95 -13.82 -7.84 -16.28 -11.90 -8.76 -15.52 -11.65 -7.11 -16.20 -13.19 -7.61 -17.26 -14.25 3 0 18.55-999 ?-999 ?-999 ? ZN ZN A1402 mLYS.A 141 -7.48 -17.28 -11.11 -6.75 -17.84 -11.50 -7.73 -16.41 -8.77 -8.38 -16.28 -7.75 -8.12 -17.51 -9.80 -7.63 -18.83 -9.21 2 0 22.08-999 ?-999 ?-999 ? ZN ZN A1402 mALA.A 142 -6.65 -15.68 -9.04 -6.18 -15.93 -9.89 -5.78 -13.37 -8.97 -4.61 -13.21 -9.34 -6.22 -14.61 -8.12 -5.06 -15.16 -7.23 2 0 23.52-999 ?-999 ?-999 ? ZN ZN A1402 mGLY.A 143 -6.74 -12.52 -9.32 -7.66 -12.72 -8.97 -7.37 -11.19 -11.31 -7.66 -10.04 -11.72 -6.38 -11.38 -10.16-999.99-999.99-999.99 1 0 21.59-999 ?-999 ?-999 ? ZN ZN A1402 mGLY~A 144 -7.91 -12.33 -11.80 -7.62 -13.17 -11.35 -8.22 -12.68 -14.22 -6.99 -12.60 -14.36 -8.86 -12.33 -12.90-999.99-999.99-999.99 1 0 18.73-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 145 -9.03 -13.08 -15.21 -10.01 -13.08 -14.98 -7.99 -12.33 -17.39 -7.01 -12.47 -18.14 -8.47 -13.49 -16.52 -9.53 -14.37 -17.35 2 0 15.04-999 ?-999 ?-999 ? ZN ZN A1402 mLYS~A 146 -8.66 -11.19 -17.25 -9.40 -11.23 -16.59 -6.97 -9.45 -17.69 -6.17 -9.18 -18.58 -8.36 -10.00 -18.00 -9.49 -9.01 -17.66 2 0 14.07-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 147 -6.65 -9.34 -16.39 -7.38 -9.65 -15.77 -4.28 -9.84 -16.30 -3.15 -9.50 -16.65 -5.36 -8.82 -15.93 -5.43 -8.58 -14.36 2 0 15.97-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 148 -4.58 -11.10 -16.06 -5.48 -11.25 -15.64 -3.31 -12.14 -17.93 -2.15 -12.34 -18.33 -3.62 -12.15 -16.42 -4.15 -13.56 -16.16 2 0 15.85-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 149 -4.33 -11.95 -18.76 -5.22 -11.84 -18.32 -3.29 -10.64 -20.57 -2.42 -10.67 -21.46 -4.10 -11.91 -20.22 -5.46 -11.93 -21.00 2 0 12.15-999 ?-999 ?-999 ? ZN ZN A1402 mALA~A 150 -3.53 -9.54 -19.84 -4.23 -9.59 -19.13 -1.29 -8.56 -19.82 -0.38 -8.19 -20.59 -2.76 -8.36 -20.14 -3.30 -7.26 -19.40 2 0 11.81-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 151 -1.06 -9.22 -18.68 -1.87 -9.53 -18.20 1.03 -10.34 -19.19 2.19 -10.06 -19.53 0.28 -9.45 -18.20 0.20 -10.14 -16.80 3 0 14.43-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 152 0.35 -11.42 -19.63 -0.54 -11.55 -19.18 1.14 -11.58 -21.97 2.22 -11.78 -22.57 0.87 -12.34 -20.66 -0.12 -13.50 -20.91 3 0 12.93-999 ?-999 ?-999 ? ZN ZN A 401 mARG~A 153 0.26 -10.64 -22.37 -0.53 -10.46 -21.78 1.42 -8.73 -23.64 2.06 -8.51 -24.69 0.52 -9.95 -23.61 -0.77 -9.55 -24.29 2 0 9.65-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~A 154 1.47 -7.93 -22.54 0.92 -8.19 -21.74 3.72 -7.17 -22.81 4.09 -8.32 -22.59 2.30 -6.76 -22.56 2.16 -5.96 -21.28 3 0 11.48-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 155 4.53 -6.21 -23.24 4.09 -5.32 -23.34 6.86 -6.59 -22.32 7.70 -7.47 -22.22 5.94 -6.47 -23.54 6.43 -5.36 -24.44 2 0 13.29-999 ?-999 ?-999 ? ZN ZN A 401 mASP.A 156 6.70 -5.66 -21.37 6.02 -4.96 -21.59 6.45 -5.28 -19.05 6.51 -4.19 -18.54 7.46 -5.68 -20.13 8.52 -4.60 -20.23 2 0 16.79-999 ?-999 ?-999 ? ZN ZN A 401 mPRO^A 157 5.53 -6.18 -18.68 5.55 -7.07 -19.13 5.09 -5.68 -16.17 6.01 -6.40 -15.78 4.56 -5.77 -17.66 3.48 -6.84 -17.79 3 0 16.91-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 158 4.40 -4.87 -15.38 3.69 -4.37 -15.86 3.31 -4.48 -13.36 2.39 -3.97 -14.05 4.65 -4.72 -13.97 5.55 -3.44 -13.65 3 0 20.31-999 ?-999 ?-999 ? ZN ZN A 401 mMET^A 159 3.16 -4.84 -12.09 3.92 -5.33 -11.66 2.27 -3.24 -10.59 3.41 -3.05 -10.09 1.93 -4.53 -11.40 1.51 -5.66 -10.49 2 0 21.71-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 160 1.27 -2.37 -10.48 0.42 -2.65 -10.92 0.25 -1.06 -8.86 -0.79 -1.64 -9.09 1.40 -1.12 -9.79 1.39 0.16 -10.75 3 0 23.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.A 161 0.44 -0.33 -7.78 1.34 0.12 -7.76 -1.88 0.50 -7.07 -2.99 0.18 -6.59 -0.58 -0.20 -6.72 0.18 0.46 -5.51 2 0 26.68-999 ?-999 ?-999 ? ZN ZN A 401 mSER.A 162 -1.73 1.52 -7.89 -0.79 1.73 -8.14 -2.36 3.13 -9.51 -1.18 3.01 -9.91 -2.90 2.26 -8.35 -3.41 3.21 -7.24 2 0 25.83-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.A 163 -3.20 4.03 -10.03 -4.13 4.04 -9.65 -2.64 6.29 -10.48 -2.41 7.29 -11.23 -2.73 4.90 -11.11 -3.75 4.93 -12.25 3 0 24.67-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.A 164 -2.81 6.34 -9.15 -2.87 5.46 -8.69 -4.00 8.47 -9.12 -3.87 9.69 -9.17 -2.88 7.61 -8.47 -1.55 8.38 -8.51 2 0 28.36-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 165 -5.11 7.84 -9.53 -5.06 6.85 -9.40 -5.84 9.43 -11.25 -6.35 10.56 -11.38 -6.27 8.54 -10.11 -6.92 9.31 -9.08 2 0 27.61-999 ?-999 ?-999 ? ZN ZN A 401 mGLN.A 166 -4.85 8.99 -12.03 -4.47 8.10 -11.77 -5.08 9.41 -14.56 -4.84 10.04 -15.64 -4.40 9.81 -13.18 -2.85 9.67 -13.33 2 0 26.07-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 167 -5.89 8.36 -14.60 -6.05 7.90 -13.72 -7.39 9.03 -16.52 -8.15 9.69 -15.81 -6.45 7.98 -15.91 -7.19 6.53 -15.80 2 0 22.94-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.A 168 -7.33 9.21 -17.85 -6.66 8.65 -18.34 -9.50 9.54 -18.97 -10.43 10.24 -19.32 -8.21 10.17 -18.50 -7.53 10.88 -19.63 3 0 23.19-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 169 -9.56 8.22 -19.00 -8.71 7.75 -18.77 -10.71 6.06 -19.19 -9.65 5.57 -18.98 -10.82 7.56 -19.35-999.99-999.99-999.99 1 0 21.29-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^A 170 -11.81 5.31 -19.29 -12.68 5.79 -19.42 -13.06 3.23 -19.36 -14.10 3.90 -19.59 -11.71 3.88 -19.21-999.99-999.99-999.99 1 0 19.12-999 ?-999 ?-999 ? ZN ZN A 401 mMET^A 171 -13.03 1.92 -19.18 -12.12 1.55 -18.99 -14.24 0.12 -18.15 -13.24 -0.44 -17.82 -14.24 1.09 -19.27 -14.26 0.26 -20.58 2 0 18.64-999 ?-999 ?-999 ? ZN ZN A 401 mASP^A 172 -15.43 -0.12 -17.65 -16.14 0.42 -18.10 -16.66 -2.05 -17.26 -17.81 -1.72 -17.64 -15.69 -1.04 -16.59 -16.43 -0.26 -15.48 2 0 20.43-999 ?-999 ?-999 ? ZN ZN A 401 mILE^A 173 -16.20 -3.30 -17.37 -15.28 -3.46 -17.03 -17.60 -5.27 -16.87 -16.91 -6.08 -16.27 -17.03 -4.34 -17.96 -16.21 -5.15 -19.05 3 0 18.82-999 ?-999 ?-999 ? ZN ZN A1402 mGLY.A 174 -18.89 -5.16 -16.60 -19.41 -4.45 -17.08 -19.67 -5.55 -14.23 -20.00 -6.35 -13.35 -19.45 -6.07 -15.64-999.99-999.99-999.99 1 0 21.03-999 ?-999 ?-999 ? ZN ZN A1402 mGLY.A 175 -19.53 -4.24 -14.01 -19.31 -3.69 -14.82 -18.58 -4.02 -11.65 -18.88 -4.34 -10.49 -19.71 -3.69 -12.67-999.99-999.99-999.99 1 0 24.37-999 ?-999 ?-999 ? ZN ZN A1402 mVAL.A 176 -17.30 -3.94 -12.04 -17.16 -3.69 -12.99 -15.74 -2.87 -10.46 -15.01 -2.89 -9.47 -16.23 -4.21 -11.10 -15.02 -4.89 -11.80 3 0 24.01-999 ?-999 ?-999 ? ZN ZN A1402 mLEU.A 177 -16.18 -1.74 -11.05 -16.82 -1.93 -11.79 -14.41 0.05 -11.16 -13.47 -0.69 -11.12 -15.80 -0.36 -10.69 -15.90 -0.14 -9.18 3 0 25.41-999 ?-999 ?-999 ? ZN ZN A 401 mILE~A 178 -14.30 1.25 -11.73 -15.16 1.74 -11.86 -12.89 3.25 -11.68 -11.93 3.90 -12.04 -13.00 1.75 -12.12 -12.73 1.73 -13.71 3 0 23.84-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~A 179 -13.91 3.78 -11.01 -14.64 3.16 -10.74 -12.73 5.67 -9.87 -12.39 6.82 -9.97 -13.90 5.19 -10.71-999.99-999.99-999.99 1 0 26.91-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 180 -12.13 4.80 -9.06 -12.52 3.88 -9.06 -9.80 5.55 -9.05 -8.94 6.26 -8.53 -10.99 5.18 -8.23 -10.59 4.08 -7.19 2 0 28.06-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~A 181 -9.73 5.12 -10.33 -10.53 4.60 -10.64 -8.69 6.62 -12.12 -7.74 7.04 -12.77 -8.60 5.38 -11.19 -8.33 4.14 -12.04 3 0 25.20-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 182 -9.82 7.26 -12.09 -10.49 6.91 -11.43 -9.80 9.72 -12.30 -10.23 9.92 -11.20 -10.06 8.36 -12.96 -11.54 8.28 -13.37 3 0 25.90-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 183 -9.15 10.64 -13.01 -8.80 10.33 -13.89 -10.32 12.77 -12.63 -11.17 12.49 -13.52 -8.97 11.99 -12.52 -7.88 12.68 -13.36 2 0 28.47-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 184 -10.53 13.75 -11.73 -9.79 13.85 -11.06 -11.72 15.29 -13.13 -10.63 15.61 -13.63 -11.73 14.60 -11.73 -11.40 15.61 -10.63 3 0 31.44-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 185 -12.86 15.46 -13.79 -12.71 15.95 -14.65 -14.58 13.84 -14.33 -14.57 14.06 -15.56 -14.20 14.99 -13.35 -15.24 16.15 -13.51 3 0 31.42-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 186 -14.91 12.66 -13.81 -14.88 12.64 -12.81 -16.69 11.81 -15.25 -17.56 12.36 -14.60 -15.28 11.51 -14.65 -15.28 10.20 -13.82 2 0 28.51-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^A 187 -16.84 11.50 -16.52 -16.02 11.11 -16.93 -18.43 10.41 -17.97 -17.71 9.97 -18.82 -18.12 11.73 -17.23 -18.05 12.88 -18.28 3 0 28.46-999 ?-999 ?-999 ? ZN ZN A 401 mPRO^A 188 -19.52 9.77 -17.56 -20.01 10.24 -16.83 -20.36 8.82 -19.58 -20.93 9.88 -19.83 -19.94 8.50 -18.16 -21.12 8.08 -17.28 3 0 26.80-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 189 -19.99 7.95 -20.50 -19.43 7.20 -20.15 -21.43 7.11 -22.26 -21.31 5.92 -21.95 -20.38 8.14 -21.90 -19.22 7.85 -22.80 3 0 25.13-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 190 -22.47 7.54 -22.93 -22.56 8.52 -23.09 -23.01 6.04 -24.76 -23.07 6.81 -25.72 -23.39 6.50 -23.34 -24.82 7.00 -23.24 2 0 25.69-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.A 191 -22.52 4.83 -24.86 -22.41 4.34 -23.99 -23.45 3.54 -26.60 -24.32 3.32 -25.78 -22.18 4.29 -26.16 -21.04 3.32 -26.02 3 0 22.68-999 ?-999 ?-999 ? ZN ZN A 401 mSER.A 192 -23.55 3.18 -27.89 -22.76 3.50 -28.41 -24.53 0.95 -28.00 -25.53 0.21 -27.83 -24.67 2.40 -28.51 -24.58 2.46 -30.06 2 0 23.33-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 193 -23.27 0.55 -27.77 -22.60 1.25 -28.04 -23.10 -0.65 -25.69 -22.45 0.16 -24.98 -22.87 -0.75 -27.21 -21.43 -0.98 -27.42 3 0 20.20-999 ?-999 ?-999 ? ZN ZN A1402 mARG.A 194 -24.05 -1.44 -25.22 -24.47 -2.03 -25.91 -23.88 -2.64 -23.10 -23.71 -2.63 -21.90 -24.43 -1.44 -23.82 -25.95 -1.43 -23.69 2 0 21.91-999 ?-999 ?-999 ? ZN ZN A1402 mLYS^A 195 -23.56 -3.69 -23.83 -23.70 -3.63 -24.82 -21.94 -5.41 -23.87 -21.82 -5.11 -25.04 -23.05 -4.82 -23.12 -24.11 -5.90 -22.93 2 0 19.39-999 ?-999 ?-999 ? ZN ZN A1402 mILE^A 196 -21.14 -6.25 -23.20 -21.33 -6.35 -22.23 -20.39 -8.37 -23.45 -20.23 -8.70 -22.28 -20.08 -6.96 -23.90 -18.66 -6.46 -23.51 3 0 15.80-999 ?-999 ?-999 ? ZN ZN A1402 mGLY.A 197 -20.90 -9.21 -24.37 -20.94 -8.86 -25.31 -22.53 -10.20 -23.05 -23.34 -9.35 -23.39 -21.33 -10.54 -23.95-999.99-999.99-999.99 1 0 15.64-999 ?-999 ?-999 ? ZN ZN A1402 mGLU.A 198 -22.62 -10.84 -21.89 -21.88 -11.50 -21.79 -23.30 -9.52 -19.85 -24.13 -9.09 -19.04 -23.67 -10.61 -20.86 -23.91 -11.89 -20.09 2 0 19.18-999 ?-999 ?-999 ? ZN ZN A1402 mALA^A 199 -22.08 -9.04 -19.89 -21.51 -9.46 -20.60 -22.11 -6.53 -19.30 -22.02 -6.07 -20.47 -21.65 -7.97 -18.93 -20.09 -8.03 -18.79 2 0 19.43-999 ?-999 ?-999 ? ZN ZN A1402 mVAL^A 200 -22.71 -5.81 -18.36 -22.89 -6.27 -17.49 -21.72 -3.65 -18.91 -20.69 -3.95 -18.33 -23.06 -4.42 -18.65 -23.79 -3.77 -17.43 3 0 21.88-999 ?-999 ?-999 ? ZN ZN A1402 mLEU^A 201 -21.73 -2.71 -19.84 -22.62 -2.63 -20.30 -20.78 -0.46 -19.73 -21.80 0.14 -20.00 -20.57 -1.90 -20.17 -20.29 -1.87 -21.66 3 0 20.67-999 ?-999 ?-999 ? ZN ZN A1402 mLEU^A 202 -19.82 0.05 -18.96 -19.09 -0.60 -18.73 -18.52 2.06 -18.99 -17.45 1.55 -18.76 -19.82 1.42 -18.51 -20.03 1.49 -16.97 3 0 22.73-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 203 -18.64 3.12 -19.77 -19.59 3.38 -19.95 -17.48 5.27 -19.80 -18.53 5.93 -19.63 -17.49 3.83 -20.32 -17.51 3.86 -21.78 2 0 21.38-999 ?-999 ?-999 ? ZN ZN A 401 mALA^A 204 -16.27 5.75 -19.48 -15.51 5.12 -19.62 -14.98 7.86 -19.49 -13.89 7.32 -19.72 -16.18 7.13 -18.98 -16.23 7.14 -17.45 2 0 23.41-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 205 -15.22 9.13 -19.75 -16.17 9.43 -19.67 -13.93 10.89 -18.87 -14.66 10.76 -17.83 -14.11 9.98 -20.12 -14.48 10.89 -21.29 2 0 23.90-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^A 206 -13.01 11.84 -18.98 -12.45 11.80 -19.80 -12.78 14.24 -18.62 -12.43 14.34 -19.80 -12.89 12.86 -17.93 -11.64 12.66 -17.03 2 0 26.82-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 207 -13.08 15.28 -17.83 -13.39 14.99 -16.92 -12.68 17.60 -17.04 -12.93 17.25 -15.84 -12.96 16.69 -18.25 -14.26 17.21 -18.87 2 0 29.82-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 208 -12.17 18.79 -17.34 -12.02 18.94 -18.32 -13.04 20.18 -15.40 -14.22 20.21 -15.81 -11.87 19.77 -16.27 -11.29 20.93 -17.06 3 0 33.05-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^A 209 -12.71 20.47 -14.15 -11.74 20.33 -13.91 -14.19 22.28 -13.73 -13.40 23.10 -14.15 -13.69 20.94 -13.20 -13.03 21.24 -11.85 2 0 36.00-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^A 210 -15.51 22.47 -13.64 -16.00 21.69 -13.27 -16.13 24.65 -12.89 -16.77 24.33 -11.86 -16.15 23.74 -14.06 -17.62 23.50 -14.46 3 0 38.58-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 211 -15.48 25.80 -13.03 -15.11 25.96 -13.94 -15.82 28.15 -12.08 -15.87 28.59 -13.24 -15.35 26.70 -11.83 -13.82 26.79 -11.36 3 0 41.88-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 212 -16.13 28.87 -10.99 -16.09 28.39 -10.12 -17.93 30.41 -10.69 -18.75 29.45 -10.83 -16.50 30.26 -11.11-999.99-999.99-999.99 1 0 45.52-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.A 213 -18.25 31.60 -10.19 -17.51 32.27 -10.19 -20.59 32.29 -10.83 -20.35 32.04 -12.00 -19.61 31.84 -9.71-999.99-999.99-999.99 1 0 48.40-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 214 -21.65 32.98 -10.42 -21.64 33.17 -9.44 -22.42 34.27 -12.52 -23.13 34.17 -13.49 -22.72 33.42 -11.28 -23.78 34.06 -10.42 2 0 50.11-999 ?-999 ?-999 ? ZN ZN A 401 mARG.A 215 -21.37 35.06 -12.49 -20.86 35.02 -11.63 -20.08 35.20 -14.58 -19.87 35.71 -15.65 -20.98 35.89 -13.59 -20.22 37.08 -13.05 2 0 50.72-999 ?-999 ?-999 ? ZN ZN A 401 mALA.A 216 -19.57 34.02 -14.24 -19.87 33.67 -13.35 -19.21 32.82 -16.44 -20.36 32.63 -16.53 -18.62 33.34 -15.13 -17.99 32.15 -14.37 2 0 47.18-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.A 217 -18.37 32.58 -17.43 -17.43 32.85 -17.25 -17.85 30.87 -19.05 -16.67 30.79 -18.57 -18.81 31.97 -18.68 -18.99 33.00 -19.79 3 0 44.86-999 ?-999 ?-999 ? ZN ZN A 401 mTYR.A 218 -18.37 29.99 -19.91 -19.27 30.24 -20.27 -17.36 28.45 -21.71 -17.00 27.31 -21.97 -17.69 28.79 -20.29 -18.47 27.64 -19.67 3 0 41.17-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~A 219 -17.50 29.42 -22.63 -17.85 30.28 -22.27 -16.45 30.44 -24.52 -16.69 31.53 -23.95 -17.16 29.19 -24.05 -18.43 28.99 -24.97 2 0 40.47-999 ?-999 ?-999 ? ZN ZN A 401 mARG~A 220 -15.57 30.29 -25.53 -15.47 29.35 -25.86 -15.82 32.42 -26.71 -15.64 33.61 -26.72 -14.83 31.43 -26.08 -13.80 30.95 -27.11 2 0 41.58-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 221 -16.94 31.88 -27.16 -16.98 30.89 -27.05 -18.61 33.61 -26.71 -18.71 34.83 -26.96 -18.00 32.67 -27.75 -19.10 31.74 -28.33 2 0 43.47-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 222 -19.05 33.05 -25.57 -18.93 32.06 -25.55 -18.69 34.91 -23.94 -19.11 35.98 -23.50 -19.64 33.85 -24.47 -20.06 32.96 -23.29 2 0 45.54-999 ?-999 ?-999 ? ZN ZN A 401 mMET~A 223 -17.41 34.55 -23.95 -17.24 33.62 -24.27 -16.24 36.64 -24.46 -16.17 37.78 -24.02 -16.34 35.43 -23.52 -14.99 34.69 -23.56 2 0 46.19-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 224 -16.17 36.40 -25.76 -16.21 35.43 -26.04 -17.28 38.44 -26.57 -17.14 39.61 -26.53 -16.05 37.53 -26.68 -15.78 37.03 -28.10 3 0 47.67-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 225 -18.47 37.88 -26.45 -18.48 36.88 -26.49 -19.52 39.50 -25.02 -19.81 40.72 -25.05 -19.66 38.66 -26.28 -20.86 37.76 -26.17 2 0 49.80-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~A 226 -19.13 38.89 -23.90 -18.97 37.90 -23.98 -17.93 40.81 -22.88 -18.06 41.90 -22.30 -18.95 39.68 -22.66 -18.52 38.74 -21.54 2 0 51.08-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~A 227 -16.92 40.58 -23.72 -16.92 39.67 -24.13 -16.44 42.78 -24.85 -15.94 43.90 -24.76 -15.90 41.62 -23.99 -14.69 41.07 -24.72 3 0 51.93-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 228 -17.40 42.51 -25.73 -17.67 41.54 -25.76 -18.54 44.58 -25.57 -18.08 45.72 -25.50 -17.99 43.57 -26.55 -19.15 43.02 -27.40 2 0 53.99-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~A 229 -19.49 44.08 -24.77 -19.67 43.12 -24.95 -19.34 45.62 -22.76 -19.83 46.38 -21.91 -20.22 44.82 -23.74 -21.08 43.82 -22.95 2 0 56.12-999 ?-999 ?-999 ? ZN ZN A 401 mPHE.A 230 -18.05 45.47 -22.88 -17.75 44.87 -23.63 -16.38 47.13 -22.80 -16.28 48.31 -22.49 -17.18 46.15 -21.96 -16.26 45.08 -21.32 3 0 56.89-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.A 231 -15.82 46.58 -23.88 -16.00 45.61 -23.96 -15.89 48.34 -25.50 -17.12 48.31 -25.35 -15.02 47.30 -24.84 -14.51 46.33 -25.91 3 0 57.13-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.A 232 -15.27 49.28 -26.24 -14.28 49.23 -26.31 -16.87 49.49 -28.00 -16.62 48.26 -28.07 -16.13 50.27 -26.89 -15.13 51.29 -27.45 3 0 60.04-999 ?-999 ?-999 ? ZN ZN A 401 mMET~B 40 -1.73 56.61 -19.78 -1.84 57.59 -19.92 -0.11 54.76 -19.79 0.36 53.77 -19.24 -1.57 55.15 -19.58 -2.47 54.41 -20.57 2 0 64.75-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 41 0.63 55.53 -20.57 0.18 56.33 -20.94 2.82 55.18 -19.51 3.83 54.52 -19.43 2.03 55.15 -20.80 2.73 56.08 -21.79 2 0 64.78-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~B 42 2.39 56.01 -18.55 1.58 56.54 -18.79 2.95 54.84 -16.39 3.84 54.51 -15.64 3.08 56.10 -17.26-999.99-999.99-999.99 1 0 66.51-999 ?-999 ?-999 ? ZN ZN A 401 mILE~B 43 1.80 54.16 -16.49 1.13 54.60 -17.08 2.51 51.89 -16.39 3.21 51.19 -15.65 1.53 52.91 -15.81 0.11 52.56 -16.06 3 0 63.61-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 44 2.68 51.89 -17.71 2.12 52.55 -18.22 5.03 51.30 -17.93 5.86 50.37 -17.73 3.62 50.98 -18.32 3.54 50.99 -19.86 2 0 61.38-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 45 5.34 52.59 -17.88 4.61 53.24 -18.11 6.97 52.49 -16.03 8.02 51.94 -15.74 6.67 52.96 -17.51 6.86 54.45 -17.71 2 0 63.92-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 46 6.02 52.66 -15.13 5.19 53.10 -15.47 6.39 50.66 -13.84 7.38 50.08 -13.27 6.23 52.21 -13.74 5.05 52.61 -12.88 2 0 64.09-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 47 5.50 49.98 -14.58 4.77 50.52 -15.01 7.06 48.16 -15.22 7.71 47.29 -14.63 5.66 48.54 -14.72 4.57 47.93 -15.68 2 0 60.25-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~B 48 7.57 48.78 -16.29 7.00 49.50 -16.69 9.98 48.63 -15.72 10.88 47.80 -15.54 8.88 48.38 -16.77 9.32 49.13 -18.07 2 0 60.17-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 49 9.96 49.79 -15.08 9.23 50.42 -15.36 10.90 48.97 -12.92 11.90 48.48 -12.49 10.99 50.07 -14.05 10.82 51.49 -13.43 2 0 62.96-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 50 9.69 48.63 -12.49 8.94 49.15 -12.90 10.12 46.24 -11.93 10.84 45.56 -11.17 9.50 47.56 -11.49 7.98 47.37 -11.21 2 0 61.09-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 51 9.88 45.87 -13.18 9.34 46.52 -13.71 11.86 44.72 -13.76 12.57 43.80 -13.43 10.37 44.62 -13.70 9.80 44.38 -15.09 2 0 57.89-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 52 12.33 45.88 -14.20 11.63 46.54 -14.46 14.53 45.88 -12.91 15.52 45.16 -12.80 13.78 46.10 -14.29 13.99 47.55 -14.82 2 0 60.00-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 53 14.02 46.51 -11.88 13.22 47.06 -12.13 14.42 45.04 -9.94 15.38 44.50 -9.43 14.55 46.43 -10.52 13.83 47.45 -9.65 2 0 61.74-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~B 54 13.25 44.44 -10.09 12.58 45.04 -10.53 14.00 42.07 -10.20 14.59 41.26 -9.44 12.96 43.07 -9.67 11.60 42.69 -10.16 3 0 58.61-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 55 14.32 42.13 -11.49 13.91 42.88 -12.00 16.64 41.46 -11.70 17.51 40.64 -11.90 15.25 41.12 -12.02 15.09 40.92 -13.57 3 0 56.77-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~B 56 16.87 42.71 -11.26 16.08 43.32 -11.23 18.50 42.37 -9.54 19.49 41.69 -9.38 18.24 43.08 -10.88 18.37 44.57 -10.72 2 0 59.94-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 57 17.51 42.42 -8.67 16.70 42.92 -8.98 17.38 40.30 -7.35 17.76 39.66 -6.38 17.64 41.79 -7.38 16.72 42.47 -6.42 2 0 59.95-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~B 58 16.77 39.75 -8.41 16.58 40.38 -9.15 16.44 37.97 -9.90 15.44 38.08 -10.59 16.41 38.32 -8.44 15.01 38.15 -7.80 3 0 56.17-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 59 17.63 37.63 -10.43 18.41 37.63 -9.80 17.20 35.92 -12.14 17.96 34.96 -12.28 17.74 37.29 -11.84 19.24 37.40 -12.13 3 0 54.48-999 ?-999 ?-999 ? ZN ZN A 401 mMET.B 60 15.88 35.85 -12.23 15.41 36.72 -12.09 15.75 33.88 -13.69 15.84 34.45 -14.77 15.19 34.60 -12.52 13.73 34.85 -12.75 2 0 50.97-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 61 16.02 32.57 -13.48 15.75 32.26 -12.56 15.65 31.07 -15.48 14.47 31.01 -15.20 16.65 31.69 -14.49 17.42 30.52 -13.76 2 0 48.40-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 62 16.14 30.53 -16.62 17.13 30.57 -16.73 14.45 28.82 -16.97 15.03 28.04 -16.23 15.22 29.94 -17.61 16.14 29.41 -18.73 3 0 45.27-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 63 13.15 28.77 -17.21 12.75 29.48 -17.79 11.75 27.89 -15.29 10.97 27.03 -14.85 12.44 27.67 -16.59-999.99-999.99-999.99 1 0 42.54-999 ?-999 ?-999 ? ZN ZN A 401 mSER.B 64 12.03 29.02 -14.63 12.71 29.60 -15.08 10.00 29.96 -13.70 9.66 30.15 -14.89 11.41 29.37 -13.39 12.30 30.35 -12.59 2 0 44.83-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 65 9.19 30.19 -12.65 9.65 30.02 -11.78 7.55 31.92 -11.92 7.86 32.01 -10.71 7.79 30.63 -12.72 6.95 29.50 -12.11 3 0 45.08-999 ?-999 ?-999 ? ZN ZN A 401 mPHE^B 66 6.96 32.90 -12.57 6.76 32.63 -13.51 5.12 34.36 -11.98 4.44 34.06 -13.01 6.62 34.23 -11.99 7.26 35.33 -12.90 3 0 48.24-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 67 4.57 34.83 -10.89 5.21 35.09 -10.16 2.77 36.40 -10.65 3.34 37.13 -9.81 3.12 34.95 -10.81 2.45 34.09 -9.68 3 0 48.72-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 68 1.80 36.80 -11.48 1.46 36.10 -12.10 -0.10 38.15 -11.01 -0.92 37.33 -11.48 1.31 38.16 -11.47 1.34 38.78 -12.85 3 0 51.10-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^B 69 -0.39 39.05 -10.06 0.39 39.58 -9.74 -1.97 40.70 -9.51 -1.01 41.44 -9.33 -1.75 39.20 -9.56-999.99-999.99-999.99 1 0 52.59-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^B 70 -3.17 41.20 -9.67 -3.92 40.56 -9.84 -4.70 43.05 -9.89 -5.47 42.22 -10.36 -3.30 42.64 -9.57-999.99-999.99-999.99 1 0 55.67-999 ?-999 ?-999 ? ZN ZN A 401 mSER~B 71 -5.05 44.31 -9.59 -4.35 44.85 -9.12 -6.22 46.13 -10.77 -5.65 47.10 -10.30 -6.38 44.81 -9.94 -7.22 45.07 -8.68 2 0 57.56-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~B 72 -6.73 46.15 -12.01 -7.18 45.31 -12.31 -7.45 48.43 -12.25 -7.11 49.58 -12.40 -6.60 47.34 -12.83 -6.96 47.13 -14.29 2 0 58.92-999 ?-999 ?-999 ? ZN ZN A 401 mSER~B 73 -8.55 48.07 -11.61 -8.72 47.08 -11.62 -8.60 49.89 -9.98 -8.69 51.16 -9.93 -9.41 49.05 -10.97 -10.52 48.34 -10.25 2 0 61.32-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 74 -7.82 49.20 -9.16 -7.91 48.21 -9.26 -5.82 50.62 -8.93 -5.19 51.53 -8.33 -6.93 49.84 -8.22 -6.19 48.82 -7.33 2 0 62.88-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~B 75 -5.48 50.24 -10.16 -5.96 49.45 -10.54 -4.99 52.40 -11.26 -4.28 53.38 -11.20 -4.42 51.00 -10.85 -3.86 50.28 -12.11 3 0 62.97-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 76 -6.26 52.47 -11.64 -6.73 51.58 -11.63 -7.43 54.55 -10.86 -7.34 54.14 -9.69 -6.91 53.72 -12.05 -8.06 53.39 -13.00 3 0 65.22-999 ?-999 ?-999 ? ZN ZN A 401 mTHR.B 82 -14.02 50.85 -9.10 -13.85 51.83 -9.11 -14.56 48.85 -10.47 -15.20 47.79 -10.60 -14.27 49.40 -9.09 -15.48 48.99 -8.22 2 0 62.90-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 83 -14.14 49.59 -11.50 -13.68 50.45 -11.25 -13.00 48.75 -13.48 -12.06 49.53 -13.49 -14.33 49.16 -12.87 -14.94 50.25 -13.72 2 0 61.41-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 84 -12.90 47.50 -13.99 -13.73 46.95 -13.92 -11.31 47.83 -15.88 -12.18 48.45 -16.43 -11.65 47.01 -14.61 -12.00 45.55 -14.95 3 0 58.47-999 ?-999 ?-999 ? ZN ZN A 401 mSER~B 85 -10.06 47.83 -16.32 -9.44 47.31 -15.72 -8.64 47.63 -18.40 -7.48 47.39 -18.00 -9.63 48.51 -17.54 -8.95 49.86 -17.17 2 0 58.90-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 86 -9.09 47.17 -19.58 -10.04 47.39 -19.80 -7.05 47.22 -20.90 -5.96 46.66 -21.10 -8.25 46.41 -20.47 -9.03 45.96 -21.68 3 0 56.09-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 87 -7.24 48.53 -21.06 -8.20 48.80 -20.93 -5.02 49.43 -20.35 -3.85 49.39 -20.67 -6.13 49.48 -21.40 -6.56 50.96 -21.37 2 0 58.81-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 88 -5.39 49.51 -19.10 -6.38 49.63 -18.98 -3.84 48.00 -17.98 -2.64 47.84 -17.76 -4.44 49.45 -18.00 -5.14 49.79 -16.64 2 0 59.45-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 89 -4.63 46.96 -18.27 -5.58 47.19 -18.48 -2.97 45.47 -19.36 -1.89 44.93 -19.10 -4.06 45.61 -18.26 -5.13 44.62 -18.45 2 0 55.66-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~B 90 -3.26 45.93 -20.59 -4.20 46.26 -20.71 -0.97 46.69 -21.23 0.17 46.28 -21.57 -2.29 45.97 -21.67 -2.92 46.75 -22.89 3 0 -55.32-999 ?-999 ?-999 ? ZN ZN A 401s mALA~B 91 -1.09 47.83 -20.57 -2.04 48.11 -20.41 1.00 47.79 -19.11 2.22 47.76 -19.16 0.13 48.55 -20.15 -0.28 49.97 -19.56 2 0 58.27-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~B 92 0.35 47.17 -18.15 -0.64 47.27 -18.18 1.71 45.23 -17.83 2.91 44.98 -17.65 1.04 46.42 -17.15 0.02 45.93 -16.12 3 0 56.98-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 93 0.95 44.49 -18.65 0.00 44.77 -18.76 2.66 43.69 -20.26 3.64 42.95 -20.37 1.56 43.34 -19.31 0.52 42.47 -20.01 3 0 53.53-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 94 2.57 44.83 -20.96 1.75 45.38 -20.78 4.89 45.57 -21.11 6.03 45.43 -21.57 3.61 45.20 -21.91 3.09 46.44 -22.70 2 0 -55.05-999 ?-999 ?-999 ? ZN ZN A 401s mGLY~B 95 4.67 46.14 -19.93 3.71 46.26 -19.70 6.45 45.33 -18.37 7.69 45.30 -18.29 5.80 46.54 -19.08-999.99-999.99-999.99 1 0 57.26-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 96 5.64 44.36 -17.92 4.67 44.50 -18.14 6.57 42.00 -18.00 7.66 41.39 -17.79 6.14 43.18 -17.18 5.12 42.68 -16.15 3 0 54.60-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 97 5.74 41.64 -18.95 4.94 42.22 -19.10 7.30 40.32 -20.52 8.00 39.31 -20.42 6.07 40.44 -19.68 4.85 40.01 -20.49 3 0 51.35-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~B 98 7.62 41.31 -21.39 7.02 42.12 -21.43 10.17 40.74 -21.48 10.94 39.91 -21.97 8.84 41.09 -22.18 8.94 42.32 -23.11 3 0 52.07-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~B 99 10.52 41.45 -20.38 9.90 42.17 -20.09 11.79 39.65 -19.06 12.82 38.98 -19.04 11.78 41.10 -19.71 11.97 42.24 -18.72 3 0 53.40-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 100 10.63 39.17 -18.61 9.89 39.84 -18.70 10.51 36.78 -19.17 11.32 35.81 -19.16 10.43 37.82 -18.05 9.00 37.73 -17.41 3 0 50.39-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 101 9.70 36.98 -20.19 9.11 37.79 -20.16 11.04 35.92 -21.94 11.44 34.82 -22.36 9.72 36.00 -21.26 8.66 36.26 -22.29 3 0 47.71-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 102 11.72 37.05 -22.13 11.29 37.89 -21.80 13.98 36.25 -21.89 15.06 35.90 -22.34 13.01 36.99 -22.78 13.60 38.39 -23.06 2 0 49.37-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 103 13.66 36.02 -20.62 12.76 36.35 -20.33 14.27 33.85 -19.72 14.93 33.11 -19.05 14.63 35.29 -19.77 14.62 35.80 -18.34 2 0 49.08-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 104 13.18 33.47 -20.42 12.74 34.19 -20.96 11.98 31.76 -19.13 11.89 30.62 -18.76 12.70 32.10 -20.40-999.99-999.99-999.99 1 0 45.35-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 105 11.46 32.77 -18.45 11.64 33.67 -18.85 9.22 32.35 -17.66 8.69 33.07 -18.49 10.70 32.60 -17.26 10.79 33.85 -16.45 3 0 45.99-999 ?-999 ?-999 ? ZN ZN A 401 mHIS^B 106 8.52 31.37 -17.05 9.04 30.84 -16.37 6.27 32.13 -16.53 6.61 32.37 -15.36 7.10 31.11 -17.36 6.66 29.68 -16.93 3 0 43.56-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 107 5.20 32.69 -17.10 5.02 32.39 -18.04 2.95 33.09 -16.22 2.37 32.47 -17.14 4.36 33.66 -16.42 4.22 35.04 -17.26 3 0 45.59-999 ?-999 ?-999 ? ZN ZN A 401 mALA^B 108 2.41 33.33 -15.04 3.04 33.80 -14.42 0.40 34.22 -14.23 1.06 34.99 -13.49 1.04 32.94 -14.66 1.06 31.95 -13.47 2 0 45.05-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 109 -0.88 34.44 -14.63 -1.27 33.72 -15.20 -2.83 35.19 -13.55 -3.65 34.48 -14.09 -1.63 35.63 -14.28 -2.09 36.41 -15.51 3 0 47.45-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^B 110 -2.98 35.67 -12.31 -2.30 36.35 -12.04 -5.32 35.98 -11.70 -5.33 37.19 -11.77 -4.05 35.23 -11.45 -3.64 35.42 -9.98 2 0 48.13-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 111 -6.41 35.26 -11.84 -6.27 34.27 -11.80 -8.19 36.15 -10.60 -7.64 35.65 -9.61 -7.68 35.87 -12.03 -8.67 34.93 -12.78 2 0 48.60-999 ?-999 ?-999 ? ZN ZN A 401 mCYH~B 112 -9.24 36.93 -10.51 -9.62 37.24 -11.38 -10.54 36.12 -8.60 -10.66 35.03 -9.14 -9.81 37.29 -9.25 -10.73 38.57 -9.41 2 0 51.25-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 113 -11.07 36.38 -7.42 -11.03 37.34 -7.14 -13.01 34.84 -7.09 -13.48 33.81 -6.61 -11.66 35.38 -6.63 -11.66 35.91 -5.19 2 0 51.04-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~B 114 -13.67 35.54 -8.02 -13.22 36.39 -8.29 -14.62 33.74 -9.40 -15.42 32.85 -9.57 -14.96 35.05 -8.56 -15.64 36.16 -9.42 3 0 50.43-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 115 -13.39 33.63 -9.86 -12.81 34.42 -9.66 -11.99 31.67 -9.71 -11.13 30.94 -10.19 -12.96 32.40 -10.60 -12.24 32.71 -11.93 3 0 46.80-999 ?-999 ?-999 ? ZN ZN A 401 mASN~B 116 -12.10 31.94 -8.41 -12.77 32.66 -8.23 -9.87 31.39 -7.49 -9.11 30.42 -7.16 -11.34 31.28 -7.34 -11.64 29.76 -7.29 2 0 47.15-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 117 -9.40 32.50 -7.99 -10.12 33.16 -8.20 -7.31 31.65 -9.15 -6.11 31.40 -9.12 -7.94 32.68 -8.19 -7.19 32.71 -6.84 2 0 47.52-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 118 -8.11 31.11 -10.06 -9.08 31.35 -10.00 -6.62 31.14 -11.91 -6.89 32.35 -12.04 -7.52 30.22 -11.08 -8.60 29.57 -11.94 2 0 43.95-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 119 -5.55 30.61 -12.47 -5.46 29.62 -12.37 -4.51 31.02 -14.66 -4.77 29.85 -15.04 -4.63 31.42 -13.18 -3.23 31.22 -12.56 3 0 43.96-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 120 -4.11 32.02 -15.47 -4.00 32.90 -15.00 -2.37 31.59 -17.11 -1.49 32.35 -16.62 -3.84 31.89 -16.90 -4.11 33.25 -17.64 3 0 42.95-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 121 -2.08 30.50 -17.81 -2.89 29.97 -18.08 -0.80 29.54 -19.58 -1.86 29.15 -20.04 -0.74 30.12 -18.16 -0.19 28.99 -17.25 3 0 41.00-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^B 122 0.34 29.54 -20.26 1.10 30.02 -19.83 0.23 27.38 -21.21 0.64 26.89 -20.13 0.44 28.89 -21.52 1.84 29.09 -22.09 2 0 38.95-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 123 -0.39 26.66 -22.16 -0.72 27.19 -22.94 0.78 24.54 -21.70 0.85 23.61 -20.88 -0.58 25.24 -22.04 -1.15 24.73 -23.41 2 0 35.20-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 124 1.86 25.00 -22.31 1.70 25.75 -22.94 3.60 24.58 -20.55 4.30 23.73 -19.99 3.16 24.41 -22.03 4.18 25.05 -22.92 2 0 35.02-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~B 125 3.23 25.70 -19.95 2.74 26.34 -20.54 2.75 24.98 -17.67 3.25 24.42 -16.70 3.54 25.96 -18.55 3.13 27.44 -18.20 2 0 37.63-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 126 1.48 24.80 -18.00 1.16 25.32 -18.79 1.31 22.48 -17.31 1.35 21.73 -16.39 0.65 23.87 -17.21 -0.71 23.82 -17.78 2 0 35.75-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 127 1.86 22.16 -18.46 1.80 22.87 -19.16 3.82 20.78 -17.90 4.03 19.83 -17.20 2.50 20.87 -18.66 2.77 20.65 -20.11 2 0 32.78-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 128 4.71 21.76 -18.05 4.46 22.52 -18.67 5.76 21.64 -15.83 6.55 21.02 -15.17 5.95 21.68 -17.33 6.86 22.79 -17.68 2 0 34.90-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~B 129 4.72 22.26 -15.29 4.07 22.69 -15.91 3.54 21.30 -13.26 3.26 21.41 -12.06 4.59 22.27 -13.88 4.37 23.74 -13.38 3 0 36.60-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~B 130 2.94 20.44 -14.09 3.21 20.53 -15.04 0.75 20.09 -13.02 0.18 19.60 -12.09 1.98 19.44 -13.61-999.99-999.99-999.99 1 0 33.84-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.B 131 0.34 21.20 -13.64 0.91 21.44 -14.42 -2.12 21.35 -13.68 -2.14 20.80 -14.75 -0.82 21.98 -13.23 -0.74 23.31 -13.90 2 0 35.77-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.B 132 -3.18 21.52 -12.88 -2.97 22.02 -12.04 -5.40 22.12 -13.86 -5.78 23.13 -13.23 -4.52 21.01 -13.17 -5.22 20.57 -11.89 2 0 34.82-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^B 133 -5.78 21.87 -15.12 -5.43 21.00 -15.48 -8.04 22.68 -15.39 -8.47 21.64 -14.86 -6.61 22.77 -15.90 -6.53 22.41 -17.39 2 0 35.07-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 134 -8.72 23.81 -15.35 -8.17 24.59 -15.65 -10.81 24.56 -16.15 -10.17 25.18 -16.94 -10.13 23.91 -14.94 -10.31 24.77 -13.57 3 0 36.91-999 ?-999 ?-999 ? ZN ZN A 401 mALA^B 135 -12.13 24.50 -16.18 -12.53 24.12 -15.35 -13.62 26.23 -17.06 -14.59 26.22 -16.29 -12.91 24.95 -17.34 -13.99 23.77 -17.75 2 0 37.36-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 136 -13.09 27.32 -17.62 -12.25 27.18 -18.15 -13.07 29.56 -18.39 -12.00 29.26 -18.93 -13.75 28.61 -17.43 -13.69 29.15 -15.92 3 0 40.82-999 ?-999 ?-999 ? ZN ZN A 401 mPHE.B 137 -13.73 30.62 -18.77 -14.66 30.68 -18.41 -13.21 32.86 -18.92 -14.32 33.18 -18.42 -13.06 31.60 -19.68 -13.76 31.71 -21.04 3 0 42.70-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 138 -12.12 33.62 -18.81 -11.29 33.29 -19.26 -12.77 36.06 -18.87 -12.57 36.08 -20.10 -12.24 34.87 -18.05 -10.79 35.16 -17.61 3 0 46.09-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.B 139 -13.42 37.02 -18.20 -13.60 36.83 -17.23 -13.67 39.34 -17.77 -13.73 39.02 -16.58 -13.83 38.25 -18.87 -15.21 38.10 -19.57 3 0 49.33-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 140 -13.48 40.63 -18.14 -13.48 40.83 -19.12 -14.20 41.62 -15.88 -13.72 41.81 -14.79 -13.30 41.63 -17.07 -13.34 42.98 -17.80 3 0 52.92-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.B 141 -15.49 41.41 -16.03 -15.77 41.26 -16.99 -16.46 40.10 -14.08 -17.23 40.00 -13.12 -16.41 41.42 -14.87 -17.85 41.77 -15.28 2 0 53.99-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 142 -15.74 39.06 -14.54 -15.27 39.24 -15.40 -14.34 37.21 -14.15 -14.25 36.38 -15.07 -15.67 37.79 -13.77 -16.78 36.80 -14.19 2 0 50.87-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 143 -13.30 37.69 -13.50 -13.49 38.38 -12.81 -11.05 38.35 -13.71 -9.97 38.22 -13.19 -11.99 37.17 -13.85-999.99-999.99-999.99 1 0 49.57-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~B 144 -11.52 39.54 -14.14 -12.44 39.52 -14.52 -10.03 41.07 -15.40 -9.74 40.18 -16.22 -10.73 40.74 -14.07-999.99-999.99-999.99 1 0 52.63-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 145 -9.68 42.35 -15.59 -9.88 42.99 -14.84 -7.68 42.12 -17.10 -7.31 41.81 -18.28 -9.05 42.74 -16.82 -8.93 44.26 -16.88 2 0 53.49-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~B 146 -6.90 42.00 -16.05 -7.25 42.29 -15.16 -5.58 39.97 -16.73 -4.82 39.63 -17.63 -5.60 41.45 -16.30 -4.70 41.68 -15.10 2 0 52.20-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 147 -6.39 39.10 -16.10 -6.96 39.52 -15.40 -6.94 37.66 -17.92 -6.45 36.92 -18.76 -6.40 37.66 -16.47 -7.31 36.86 -15.53 2 0 48.58-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~B 148 -7.96 38.48 -18.17 -8.30 38.96 -17.36 -7.49 39.11 -20.52 -7.34 38.50 -21.57 -8.52 38.63 -19.51 -9.70 39.56 -19.54 2 0 48.78-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 149 -6.74 40.15 -20.20 -6.90 40.55 -19.29 -4.70 39.47 -21.42 -4.32 39.17 -22.58 -5.75 40.61 -21.18 -5.09 41.87 -20.73 2 0 50.15-999 ?-999 ?-999 ? ZN ZN A 401 mALA~B 150 -4.28 38.77 -20.34 -4.65 39.04 -19.45 -3.93 36.53 -21.39 -3.25 35.98 -22.29 -3.34 37.67 -20.53 -2.86 37.12 -19.17 2 0 47.42-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~B 151 -5.16 36.17 -21.12 -5.60 36.72 -20.41 -5.86 35.37 -23.35 -5.55 34.54 -24.23 -5.78 35.04 -21.82 -7.14 34.74 -21.21 3 0 44.58-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 152 -6.20 36.59 -23.67 -6.44 37.16 -22.88 -4.80 37.14 -25.70 -4.63 36.95 -26.90 -6.22 37.02 -25.07 -6.90 38.38 -25.13 3 0 45.93-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 153 -3.77 37.46 -24.91 -3.96 37.57 -23.93 -1.60 36.38 -25.64 -0.69 36.26 -26.51 -2.45 37.63 -25.54 -1.62 38.69 -24.78 2 0 46.47-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~B 154 -1.84 35.46 -24.71 -2.54 35.72 -24.05 -1.33 33.34 -25.98 -2.37 33.40 -26.56 -1.11 34.19 -24.68 -1.51 33.39 -23.43 3 0 43.28-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 155 -0.32 32.60 -26.43 0.51 32.68 -25.89 -1.45 30.60 -27.45 -2.26 30.33 -28.31 -0.49 31.75 -27.63 0.83 31.14 -28.06 2 0 40.51-999 ?-999 ?-999 ? ZN ZN A 401 mASP.B 156 -1.36 29.87 -26.32 -0.66 30.14 -25.66 -2.55 28.65 -24.64 -2.14 27.73 -23.99 -2.27 28.76 -26.14 -1.62 27.49 -26.72 2 0 37.62-999 ?-999 ?-999 ? ZN ZN A 401 mPRO^B 157 -3.41 29.53 -24.16 -3.77 30.13 -24.87 -4.79 28.67 -22.24 -5.68 28.25 -22.94 -3.81 29.65 -22.77 -4.35 31.10 -22.70 3 0 39.09-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 158 -4.60 28.33 -20.98 -3.77 28.73 -20.59 -5.58 28.11 -18.84 -4.67 28.86 -18.43 -5.50 27.47 -20.22 -4.98 26.01 -20.12 3 0 37.70-999 ?-999 ?-999 ? ZN ZN A 401 mMET^B 159 -6.71 27.89 -18.19 -7.39 27.38 -18.72 -6.51 27.11 -15.98 -6.84 26.00 -16.29 -6.96 28.33 -16.87 -8.45 28.56 -16.68 2 0 39.73-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 160 -5.75 27.35 -14.90 -5.49 28.31 -14.78 -5.89 26.57 -12.59 -6.14 27.76 -12.18 -5.34 26.24 -14.01 -3.79 26.05 -13.95 3 0 38.95-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.B 161 -6.08 25.50 -11.85 -5.81 24.63 -12.28 -5.74 26.44 -9.54 -6.20 27.30 -8.73 -6.64 25.60 -10.51 -6.81 24.20 -9.99 2 0 40.19-999 ?-999 ?-999 ? ZN ZN A 401 mSER.B 162 -4.44 26.17 -9.67 -4.20 25.44 -10.32 -2.12 26.54 -9.50 -2.03 25.85 -10.52 -3.47 26.90 -8.89 -3.56 26.40 -7.42 2 0 42.09-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.B 163 -1.05 26.99 -8.87 -1.22 27.56 -8.06 0.87 25.65 -8.36 2.06 25.45 -8.39 0.25 26.67 -9.36 1.10 27.94 -9.39 3 0 41.88-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.B 164 0.06 25.09 -7.48 -0.91 25.30 -7.60 1.76 24.91 -5.70 2.77 24.23 -5.41 0.59 24.25 -6.43 1.03 22.88 -7.01 2 0 41.64-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 165 1.65 26.21 -5.38 0.80 26.63 -5.69 4.04 26.76 -5.25 5.03 26.71 -4.56 2.68 26.94 -4.65 2.67 26.56 -3.13 2 0 45.10-999 ?-999 ?-999 ? ZN ZN A 401 mGLN.B 166 4.10 26.68 -6.57 3.23 26.72 -7.05 6.09 27.79 -7.71 7.22 27.68 -8.23 5.39 26.54 -7.21 5.30 25.56 -8.42 2 0 43.81-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 167 5.48 28.95 -7.57 4.61 28.95 -7.09 7.40 30.56 -7.39 7.42 30.45 -6.15 6.16 30.13 -8.16 5.13 31.36 -8.34 2 0 46.39-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.B 168 8.42 30.97 -8.14 8.28 30.88 -9.12 9.60 32.95 -7.23 10.46 33.39 -6.49 9.64 31.50 -7.55 10.82 31.28 -8.44 3 0 48.71-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^B 169 8.66 33.72 -7.82 8.07 33.25 -8.47 7.30 35.70 -8.16 6.62 35.03 -8.96 8.53 35.13 -7.51-999.99-999.99-999.99 1 0 51.46-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^B 170 7.00 36.96 -7.86 7.62 37.44 -7.23 5.62 38.95 -8.05 6.56 39.50 -7.42 5.82 37.53 -8.47-999.99-999.99-999.99 1 0 52.49-999 ?-999 ?-999 ? ZN ZN A 401 mMET^B 171 4.42 39.49 -8.33 3.81 38.86 -8.80 2.53 40.87 -7.71 1.74 40.16 -8.37 4.02 40.86 -7.98 4.29 41.87 -9.18 2 0 55.33-999 ?-999 ?-999 ? ZN ZN A 401 mASP^B 172 2.13 41.68 -6.74 2.87 42.18 -6.29 0.47 43.33 -6.68 1.16 44.25 -6.11 0.75 41.81 -6.37 0.61 41.42 -4.88 2 0 56.50-999 ?-999 ?-999 ? ZN ZN A 401 mILE^B 173 -0.40 43.62 -7.67 -0.83 42.85 -8.15 -1.92 45.46 -7.36 -2.98 45.08 -7.76 -0.65 45.03 -7.98 -0.61 45.36 -9.48 3 0 58.60-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 174 -1.81 46.26 -6.32 -0.90 46.56 -6.04 -3.45 45.86 -4.44 -4.55 46.09 -3.98 -3.07 46.61 -5.71-999.99-999.99-999.99 1 0 60.89-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 175 -2.60 44.98 -3.88 -1.71 44.87 -4.33 -4.07 43.19 -2.92 -5.11 43.08 -2.25 -3.00 44.24 -2.68-999.99-999.99-999.99 1 0 60.17-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 176 -3.87 42.40 -3.95 -3.04 42.54 -4.50 -4.43 40.04 -3.52 -5.21 39.13 -3.44 -4.90 41.40 -4.17 -5.18 41.15 -5.74 3 0 56.96-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.B 177 -3.17 39.95 -3.13 -2.68 40.81 -3.27 -2.14 37.76 -3.67 -2.98 37.40 -4.61 -2.53 38.76 -2.57 -3.44 37.99 -1.60 3 0 55.52-999 ?-999 ?-999 ? ZN ZN A 401 mILE~B 178 -0.89 37.29 -3.56 -0.35 37.71 -2.83 0.46 35.22 -3.59 1.05 34.30 -4.12 -0.36 36.26 -4.43 0.62 36.85 -5.51 3 0 52.53-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~B 179 0.48 35.42 -2.28 -0.10 36.16 -1.94 1.06 33.07 -1.57 1.96 32.30 -1.42 1.33 34.56 -1.44-999.99-999.99-999.99 1 0 52.90-999 ?-999 ?-999 ? ZN ZN A 401 mMET~B 180 -0.18 32.67 -1.75 -0.83 33.43 -1.82 0.08 30.51 -3.04 0.17 29.29 -3.02 -0.55 31.27 -1.85 -2.07 31.17 -1.82 2 0 49.86-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~B 181 0.66 31.25 -3.98 0.66 32.23 -3.78 2.76 30.55 -5.11 3.39 29.90 -5.96 1.24 30.70 -5.20 0.91 31.65 -6.36 3 0 47.61-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 182 3.32 31.22 -4.10 2.68 31.69 -3.48 5.29 30.12 -3.13 4.67 29.76 -2.15 4.76 31.24 -3.96 5.25 32.56 -3.30 3 0 49.28-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 183 6.42 29.56 -3.52 6.84 29.94 -4.35 7.79 29.10 -1.56 8.22 30.25 -1.63 6.99 28.46 -2.77 7.92 27.68 -3.66 2 0 48.25-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 184 7.98 28.35 -0.47 7.60 27.43 -0.53 10.15 29.16 0.28 10.66 28.44 -0.54 8.72 28.87 0.71 8.64 27.71 1.71 3 0 51.14-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 185 10.82 30.22 0.76 11.76 30.27 0.43 10.15 32.48 0.80 11.08 32.86 0.16 10.27 31.20 1.66 11.27 31.48 2.81 3 0 53.85-999 ?-999 ?-999 ? ZN ZN A 401 mALA^B 186 9.02 33.13 0.83 8.34 32.73 1.45 9.49 35.46 0.82 9.34 35.55 2.05 8.76 34.33 0.04 7.25 34.61 0.07 2 0 54.86-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 187 10.27 36.27 0.10 10.32 36.01 -0.86 10.47 38.69 -0.13 10.66 38.80 -1.35 10.98 37.42 0.67 12.51 37.31 0.43 3 0 58.19-999 ?-999 ?-999 ? ZN ZN A 401 mPRO^B 188 9.77 39.60 0.54 9.59 39.43 1.51 10.55 41.59 -0.58 11.55 41.57 0.14 9.32 40.76 -0.23 8.35 41.49 0.71 3 0 59.98-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 189 10.51 42.19 -1.76 9.65 41.99 -2.24 11.22 44.53 -2.25 10.08 44.91 -2.53 11.59 43.04 -2.32 11.84 42.71 -3.80 3 0 61.37-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 190 12.15 45.38 -1.85 13.03 45.00 -1.56 12.23 47.22 -3.27 13.26 46.82 -3.77 11.82 46.77 -1.86 12.60 47.54 -0.81 2 0 64.79-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.B 191 11.39 47.96 -3.93 10.51 48.12 -3.49 11.44 49.98 -5.12 10.50 50.35 -4.38 11.77 48.49 -5.23 10.89 47.91 -6.34 3 0 64.80-999 ?-999 ?-999 ? ZN ZN A 401 mSER.B 192 12.13 50.82 -5.89 12.85 50.40 -6.44 10.34 52.49 -6.26 9.68 53.45 -5.77 11.81 52.27 -5.89 12.57 52.99 -6.93 2 0 67.89-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 193 9.85 51.63 -7.14 10.47 50.91 -7.46 7.60 51.18 -6.50 7.54 49.93 -6.32 8.49 51.75 -7.58 8.25 50.91 -8.84 3 0 66.07-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 194 6.84 52.03 -5.83 6.90 53.00 -6.08 4.56 51.47 -5.22 3.68 50.93 -4.52 6.01 51.49 -4.79 6.25 52.30 -3.50 2 0 66.49-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^B 195 4.31 52.12 -6.35 5.10 52.62 -6.72 3.00 51.97 -8.53 3.98 52.33 -9.22 2.98 52.08 -6.98 2.16 53.27 -6.62 2 0 65.76-999 ?-999 ?-999 ? ZN ZN A 401 mILE^B 196 1.91 51.42 -9.05 1.26 51.12 -8.36 0.41 52.02 -10.60 -0.62 51.54 -10.09 1.71 51.29 -10.51 1.46 49.85 -10.97 3 0 63.65-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 197 0.42 53.19 -11.26 1.26 53.47 -11.72 -1.00 54.31 -9.78 -0.05 54.73 -9.11 -0.81 53.93 -11.24-999.99-999.99-999.99 1 0 65.71-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.B 198 -2.23 54.14 -9.33 -2.85 53.80 -10.03 -2.65 53.11 -7.06 -3.19 53.11 -5.94 -2.65 54.40 -7.95 -4.08 54.84 -8.00 2 0 67.18-999 ?-999 ?-999 ? ZN ZN A 401 mALA^B 199 -2.13 52.00 -7.60 -1.78 52.12 -8.53 -0.74 50.48 -6.26 0.26 50.69 -6.92 -2.10 50.71 -6.87 -2.45 49.46 -7.86 2 0 64.17-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^B 200 -0.70 49.97 -5.01 -1.61 49.81 -4.61 1.24 48.51 -4.94 0.58 47.58 -5.25 0.57 49.69 -4.31 0.33 49.28 -2.80 3 0 64.44-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 201 2.54 48.49 -5.07 3.05 49.28 -4.72 3.81 46.48 -4.64 4.67 47.01 -3.89 3.11 47.34 -5.70 4.12 47.81 -6.72 3 0 61.98-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 202 3.42 45.20 -4.54 2.64 44.95 -5.11 4.86 43.30 -4.55 4.23 42.67 -5.44 4.11 44.27 -3.65 3.11 43.50 -2.83 3 0 60.30-999 ?-999 ?-999 ? ZN ZN A 401 mALA^B 203 6.16 43.21 -4.43 6.55 43.83 -3.75 7.69 41.37 -4.24 8.10 41.82 -3.17 6.95 42.30 -5.22 7.95 43.05 -6.00 2 0 58.32-999 ?-999 ?-999 ? ZN ZN A 401 mALA^B 204 7.89 40.09 -4.62 7.54 39.85 -5.52 9.37 38.15 -4.54 9.02 37.80 -5.60 8.57 39.15 -3.75 7.48 38.38 -2.84 2 0 56.68-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^B 205 10.47 37.71 -4.03 10.75 38.16 -3.19 11.02 35.43 -3.69 10.14 35.47 -2.81 11.20 36.63 -4.67 12.68 36.94 -4.71 2 0 54.79-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^B 206 11.77 34.37 -3.86 12.38 34.41 -4.65 13.09 32.78 -2.72 13.94 33.05 -3.58 11.67 33.26 -2.90 10.84 32.03 -3.43 2 0 53.15-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 207 13.32 32.09 -1.59 12.54 32.03 -0.96 14.44 30.33 -0.32 13.57 30.26 0.50 14.57 31.48 -1.28 15.56 32.47 -0.72 2 0 53.63-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.B 208 15.39 29.46 -0.39 16.06 29.70 -1.08 15.33 28.54 1.93 15.73 29.57 2.39 15.45 28.26 0.44 16.82 27.68 0.08 3 0 52.66-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^B 209 14.71 27.64 2.68 14.31 26.89 2.16 16.02 27.69 4.76 16.94 26.96 4.33 14.63 27.74 4.12 13.85 26.56 4.70 2 0 54.35-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^B 210 16.17 28.53 5.75 15.36 29.10 5.91 17.21 27.58 7.64 16.22 27.63 8.44 17.39 28.63 6.53 17.56 30.06 7.14 3 0 57.54-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 211 18.15 26.65 7.69 18.89 26.75 7.02 19.34 25.31 9.48 20.47 25.67 9.05 18.04 25.57 8.68 17.62 24.21 7.96 3 0 57.37-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 212 19.18 24.62 10.61 18.23 24.37 10.81 20.31 25.09 12.77 19.91 26.25 12.80 20.31 24.26 11.46-999.99-999.99-999.99 1 0 59.53-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.B 213 20.80 24.50 13.84 21.12 23.56 13.68 21.98 26.16 15.33 22.69 26.52 14.42 20.85 25.19 15.13-999.99-999.99-999.99 1 0 62.96-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 214 22.22 26.51 16.60 21.66 26.03 17.29 24.62 27.37 16.42 25.27 28.37 16.20 23.20 27.50 16.96 23.17 27.72 18.48 2 0 66.50-999 ?-999 ?-999 ? ZN ZN A 401 mARG.B 215 25.11 26.19 16.16 24.50 25.43 16.37 26.50 26.15 14.06 27.59 26.22 13.48 26.47 26.10 15.59 27.11 24.81 15.97 2 0 66.20-999 ?-999 ?-999 ? ZN ZN A 401 mALA.B 216 25.33 26.09 13.40 24.51 26.04 13.97 25.90 27.41 11.38 25.95 28.43 12.06 25.30 26.11 11.92 23.85 25.90 11.39 2 0 63.07-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.B 217 26.35 27.34 10.14 26.23 26.45 9.72 26.27 28.57 8.07 25.73 27.56 7.55 26.96 28.48 9.46 28.48 28.16 9.41 3 0 63.55-999 ?-999 ?-999 ? ZN ZN A 401 mTYR.B 218 26.24 29.79 7.49 26.70 30.51 8.02 26.34 30.61 5.00 25.69 31.08 4.09 25.57 30.04 6.22 24.32 30.92 6.45 3 0 61.76-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~B 219 27.67 30.59 4.96 28.11 30.26 5.79 29.54 30.17 3.52 30.04 29.61 4.50 28.37 31.06 3.73 28.97 32.45 3.86 2 0 62.33-999 ?-999 ?-999 ? ZN ZN A 401 mARG~B 220 30.00 30.03 2.29 29.51 30.52 1.57 32.37 29.61 2.99 33.03 28.74 3.57 31.19 29.20 2.08 31.63 29.19 0.61 2 0 61.79-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 221 32.60 30.91 3.15 31.96 31.49 2.63 33.56 30.97 5.40 34.48 30.30 5.90 33.66 31.47 3.98 33.58 33.01 3.99 2 0 65.64-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 222 32.47 31.32 6.07 31.85 31.92 5.57 32.56 29.34 7.58 33.08 28.89 8.61 32.23 30.85 7.42 30.77 31.11 7.74 2 0 66.42-999 ?-999 ?-999 ? ZN ZN A 401 mMET~B 223 32.25 28.59 6.53 31.83 29.09 5.77 33.99 26.95 6.53 34.53 26.28 7.42 32.49 27.15 6.50 31.90 26.52 5.23 2 0 63.89-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 224 34.69 27.57 5.57 34.15 28.11 4.92 36.75 27.76 6.90 37.50 26.97 7.45 36.14 27.43 5.54 36.75 28.29 4.41 3 0 65.66-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~B 225 36.37 28.90 7.45 35.72 29.43 6.91 36.58 28.21 9.72 37.39 27.94 10.59 36.86 29.31 8.74 36.17 30.56 9.21 2 0 68.98-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~B 226 35.43 27.57 9.60 34.82 27.88 8.88 36.08 25.27 10.29 36.45 24.60 11.26 35.14 26.48 10.52 33.67 26.08 10.38 2 0 67.54-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~B 227 36.47 25.01 9.04 36.11 25.64 8.35 38.71 24.15 9.30 39.41 23.23 9.72 37.36 23.89 8.71 37.58 23.72 7.21 3 0 66.47-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~B 228 39.10 25.42 9.26 38.44 26.02 8.81 40.05 26.00 11.30 39.82 27.12 11.75 40.36 25.88 9.82 40.71 27.26 9.27 2 0 70.00-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.B 229 40.02 24.86 12.00 40.24 24.08 11.41 39.30 23.22 13.69 39.62 22.36 12.82 39.71 24.69 13.45 38.57 25.61 13.92 2 0 71.26-999 ?-999 ?-999 ? ZN ZN A 401 mMET~C 40 44.20 4.98 7.05 45.19 5.12 7.04 42.31 3.82 5.91 41.12 3.55 5.64 42.73 4.77 7.06 42.03 6.12 6.93 2 0 62.40-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 41 43.34 3.32 5.24 44.23 3.65 5.56 42.10 1.33 4.37 41.33 1.06 3.47 43.22 2.39 4.14 44.58 1.73 3.96 2 0 60.53-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~C 42 42.03 0.77 5.59 42.71 1.11 6.24 39.65 0.30 5.95 38.67 -0.42 5.76 41.05 -0.25 5.92-999.99-999.99-999.99 1 0 59.54-999 ?-999 ?-999 ? ZN ZN A 401 mILE~C 43 39.56 1.60 6.20 40.44 2.05 6.36 37.93 2.41 4.76 36.82 2.06 4.32 38.29 2.30 6.24 38.43 3.76 6.84 3 0 58.09-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 44 38.93 2.88 4.01 39.75 3.09 4.55 38.56 1.80 1.80 37.66 1.75 0.96 38.89 3.10 2.57 40.25 3.63 2.16 2 0 56.37-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 45 39.28 0.75 2.16 39.93 0.98 2.89 37.83 -1.24 1.92 37.15 -1.79 1.03 39.18 -0.59 1.61 40.35 -1.39 2.24 2 0 55.38-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 46 37.45 -1.19 3.19 38.09 -0.72 3.79 35.01 -1.09 2.98 33.97 -1.72 2.72 36.19 -1.78 3.65 36.09 -1.69 5.18 2 0 54.22-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 47 35.19 0.20 2.68 36.09 0.55 2.94 33.91 0.52 0.60 32.75 0.28 0.19 34.16 1.01 2.04 34.55 2.52 2.04 2 0 52.08-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~C 48 34.98 0.40 -0.17 35.85 0.65 0.25 34.16 -1.49 -1.56 33.18 -1.77 -2.30 34.83 -0.08 -1.54 36.18 -0.10 -2.22 2 0 50.15-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 49 34.68 -2.36 -0.72 35.44 -2.02 -0.17 32.67 -3.75 -0.42 31.97 -4.47 -1.14 34.16 -3.71 -0.61 34.82 -4.42 0.57 2 0 49.73-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 50 32.17 -2.99 0.55 32.83 -2.41 1.04 29.98 -2.52 -0.33 28.91 -3.09 -0.68 30.78 -3.04 0.85 30.49 -2.25 2.08 2 0 48.22-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 51 30.50 -1.49 -0.96 31.37 -1.14 -0.62 29.67 -2.00 -3.25 28.61 -2.18 -3.86 29.79 -0.95 -2.09 30.45 0.34 -2.54 2 0 45.82-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 52 30.76 -2.74 -3.48 31.54 -2.53 -2.90 29.84 -4.95 -4.08 28.93 -5.44 -4.85 30.75 -3.79 -4.52 32.18 -4.26 -4.76 2 0 44.65-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 53 30.04 -5.41 -2.86 30.78 -5.01 -2.32 27.71 -6.04 -2.53 26.90 -6.77 -3.11 29.18 -6.45 -2.40 29.50 -6.74 -1.00 2 0 44.60-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~C 54 27.38 -4.85 -2.05 28.15 -4.34 -1.67 25.49 -4.36 -3.49 24.45 -5.00 -3.79 26.05 -4.33 -2.07 26.09 -2.88 -1.53 3 0 42.67-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 55 26.19 -3.70 -4.39 27.01 -3.24 -4.04 25.66 -5.03 -6.41 24.86 -5.21 -7.30 25.74 -3.67 -5.78 26.65 -2.82 -6.65 3 0 40.02-999 ?-999 ?-999 ? ZN ZN A 401 mGLN~C 56 26.52 -5.97 -5.98 27.19 -5.67 -5.30 25.10 -7.88 -6.03 24.35 -8.46 -6.82 26.47 -7.33 -6.48 27.62 -8.16 -5.89 2 0 39.86-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 57 24.75 -7.68 -4.76 25.42 -7.20 -4.20 22.28 -7.27 -4.74 21.15 -7.73 -4.86 23.46 -8.16 -4.30 23.47 -8.24 -2.83 2 0 39.08-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~C 58 22.54 -5.99 -4.99 23.51 -5.75 -4.91 22.05 -4.19 -6.50 22.57 -3.12 -6.25 21.46 -5.06 -5.37 21.10 -4.24 -4.12 3 0 37.06-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 59 21.99 -4.69 -7.77 21.53 -5.58 -7.80 21.71 -2.84 -9.41 20.94 -2.90 -10.39 22.51 -4.05 -8.99 22.45 -5.20 -10.02 3 0 35.46-999 ?-999 ?-999 ? ZN ZN A 401 mMET.C 60 21.90 -1.75 -8.63 22.57 -1.89 -7.90 21.40 0.04 -10.22 22.52 0.25 -10.70 21.23 -0.50 -8.81 21.73 0.50 -7.76 2 0 35.25-999 ?-999 ?-999 ? ZN ZN A 401 mALA.C 61 20.26 0.28 -10.86 19.45 0.08 -10.31 20.59 2.24 -12.30 20.70 2.93 -11.28 20.19 0.78 -12.23 18.80 0.60 -12.78 2 0 32.65-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 62 20.81 2.74 -13.52 20.68 2.10 -14.28 20.01 5.04 -13.29 18.86 4.73 -13.62 21.20 4.13 -13.65 21.62 4.24 -15.13 3 0 33.69-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 63 20.27 6.11 -12.55 21.22 6.23 -12.26 18.53 6.75 -10.89 17.68 7.50 -10.43 19.18 7.01 -12.22-999.99-999.99-999.99 1 0 34.22-999 ?-999 ?-999 ? ZN ZN A 401 mSER.C 64 18.89 5.65 -10.27 19.56 5.09 -10.76 19.10 6.23 -7.95 20.06 6.93 -8.32 18.32 5.33 -8.95 18.53 3.83 -8.65 2 0 34.95-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 65 18.73 6.19 -6.68 18.02 5.52 -6.48 19.83 6.32 -4.46 19.07 5.55 -3.81 19.35 7.07 -5.68 18.32 8.12 -5.23 3 0 38.48-999 ?-999 ?-999 ? ZN ZN A 401 mPHE^C 66 21.06 6.62 -4.11 21.49 7.31 -4.69 21.91 6.90 -1.75 22.39 8.01 -1.96 21.69 5.96 -2.94 23.07 5.38 -3.39 3 0 41.40-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 67 21.60 6.51 -0.53 21.23 5.58 -0.46 22.87 6.89 1.60 22.81 5.75 1.97 21.83 7.43 0.60 20.52 7.82 1.38 3 0 44.53-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 68 23.82 7.74 1.98 23.74 8.64 1.55 24.75 8.35 4.16 24.63 9.57 4.06 24.86 7.43 2.92 26.23 7.66 2.32 3 0 48.02-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^C 69 24.69 7.68 5.30 24.68 6.68 5.18 25.71 7.58 7.41 25.93 6.40 7.26 24.64 8.29 6.59-999.99-999.99-999.99 1 0 50.89-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^C 70 26.42 8.29 8.25 26.22 9.27 8.25 28.02 8.62 10.04 27.84 9.83 9.89 27.41 7.63 9.08-999.99-999.99-999.99 1 0 54.16-999 ?-999 ?-999 ? ZN ZN A 401 mSER~C 71 28.77 8.09 11.02 28.82 7.10 10.95 30.95 8.59 12.07 31.37 7.47 12.26 29.44 8.85 12.09 28.85 8.36 13.42 2 0 57.99-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~C 72 31.80 9.59 11.84 31.37 10.48 11.68 33.86 9.04 13.21 34.90 8.43 13.33 33.25 9.32 11.82 34.09 10.46 11.20 2 0 60.22-999 ?-999 ?-999 ? ZN ZN A 401 mSER~C 73 33.19 9.52 14.25 32.37 10.02 13.99 33.38 7.85 15.89 34.17 7.19 16.54 33.61 9.33 15.63 32.75 10.20 16.56 2 0 63.25-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 74 32.30 7.32 15.37 31.71 7.94 14.86 33.05 5.08 14.77 33.50 4.06 15.30 32.04 5.93 15.55 30.66 5.56 15.05 2 0 61.39-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~C 75 33.36 5.47 13.51 32.87 6.29 13.19 35.68 4.63 13.43 36.38 3.61 13.30 34.32 4.76 12.69 34.51 5.43 11.33 3 0 60.37-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 76 36.04 5.67 14.19 35.39 6.44 14.18 37.08 5.14 16.38 38.04 4.99 17.11 37.28 5.68 14.96 37.88 7.11 14.98 3 0 64.14-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~C 77 35.85 4.86 16.79 35.12 5.06 16.13 35.80 5.19 19.32 35.63 6.40 19.23 35.62 4.30 18.11-999.99-999.99-999.99 1 0 65.16-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.C 78 36.17 4.60 20.45 36.29 3.61 20.37 37.72 6.05 21.95 37.82 6.83 22.91 36.36 5.35 21.69 36.00 4.47 22.91 2 0 68.59-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 79 38.76 5.74 21.15 38.52 5.04 20.47 40.13 7.54 22.20 40.50 8.69 21.86 40.10 6.34 21.23 40.53 6.82 19.82 2 0 70.72-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 83 34.11 13.29 18.96 33.76 12.66 19.65 34.81 13.55 16.57 35.39 12.47 16.44 34.62 14.21 17.95 35.96 14.85 18.38 2 0 67.09-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 84 34.33 14.23 15.51 33.89 15.09 15.77 35.83 13.82 13.51 36.76 14.43 14.08 34.40 13.78 14.11 33.42 14.73 13.41 3 0 64.01-999 ?-999 ?-999 ? ZN ZN A 401 mSER~C 85 35.97 13.17 12.35 35.13 12.73 12.03 37.06 13.31 10.12 36.33 12.55 9.43 37.23 13.08 11.61 37.85 11.70 11.81 2 0 63.79-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 86 37.74 14.33 9.60 38.27 14.87 10.26 38.44 13.49 7.39 38.01 13.10 6.27 37.68 14.58 8.17 38.28 15.95 7.81 3 0 62.35-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 87 39.54 13.02 7.97 39.75 13.44 8.85 39.56 10.75 7.08 39.57 10.15 5.99 40.38 11.99 7.35 41.51 11.61 8.31 2 0 62.80-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 88 38.81 10.35 8.11 38.87 10.93 8.92 36.91 9.38 7.01 36.58 8.48 6.22 38.00 9.16 8.02 37.40 8.81 9.42 2 0 60.68-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 89 36.35 10.59 7.08 36.73 11.20 7.77 35.71 10.74 4.79 35.06 9.96 4.11 35.26 10.97 6.21 34.82 12.49 6.44 2 0 58.17-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~C 90 36.83 11.37 4.37 37.30 11.89 5.07 37.63 9.86 2.59 37.45 9.50 1.40 37.28 11.26 2.98 38.48 12.15 2.66 3 0 57.65-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 91 38.11 9.09 3.57 38.23 9.56 4.44 37.14 6.86 3.03 37.13 6.01 2.13 38.42 7.65 3.33 39.14 7.03 4.55 2 0 57.58-999 ?-999 ?-999 ? ZN ZN A 401 mVAL~C 92 36.06 7.15 3.76 36.16 7.88 4.43 34.33 6.66 2.16 34.03 5.70 1.42 34.83 6.41 3.53 33.73 6.79 4.53 3 0 54.75-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 93 34.28 7.94 1.81 34.62 8.55 2.52 34.63 7.95 -0.69 34.14 7.57 -1.76 33.77 8.40 0.49 33.60 9.96 0.47 3 0 52.65-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 94 35.93 8.00 -0.42 36.10 8.34 0.51 36.70 6.21 -1.79 36.67 5.90 -2.98 37.01 7.63 -1.32 38.30 7.72 -0.49 2 0 53.76-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~C 95 36.38 5.36 -0.81 36.37 5.76 0.11 34.68 3.68 -1.51 34.47 2.84 -2.40 36.09 3.98 -1.09-999.99-999.99-999.99 1 0 52.21-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 96 33.71 4.41 -0.94 34.00 5.14 -0.32 31.75 4.64 -2.50 30.96 3.95 -3.18 32.33 4.08 -1.25 31.45 4.48 -0.08 3 0 49.30-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 97 32.13 5.86 -2.85 32.85 6.25 -2.27 31.71 6.09 -5.48 30.74 6.05 -6.28 31.50 6.53 -4.01 31.70 8.05 -3.89 3 0 47.69-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~C 98 32.97 5.80 -5.86 33.65 5.90 -5.14 32.38 4.26 -7.81 31.79 4.40 -8.87 33.28 5.38 -7.24 34.74 5.00 -7.14 3 0 46.94-999 ?-999 ?-999 ? ZN ZN A 401 mPRO~C 99 32.23 3.16 -7.08 32.75 3.20 -6.22 29.99 2.43 -7.91 29.46 1.97 -8.97 31.41 2.01 -7.47 31.37 1.20 -6.19 3 0 44.43-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 100 29.38 3.28 -7.06 29.92 3.53 -6.26 28.06 4.82 -8.43 27.21 4.79 -9.33 28.03 3.80 -7.31 27.46 4.47 -6.05 3 0 42.34-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 101 29.01 5.74 -8.38 29.63 5.68 -7.60 29.23 6.08 -10.83 28.58 6.51 -11.79 29.06 6.75 -9.43 30.16 7.78 -9.14 3 0 42.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 102 30.03 5.01 -10.93 30.46 4.74 -10.07 28.96 3.78 -12.77 28.88 3.68 -13.99 30.25 4.31 -12.20 31.20 3.12 -12.07 2 0 41.68-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 103 27.98 3.42 -11.92 28.21 3.54 -10.96 25.59 4.00 -12.61 24.36 3.72 -12.85 26.68 2.89 -12.41 26.17 1.81 -11.46 2 0 38.23-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 104 26.05 5.25 -12.56 27.03 5.37 -12.42 24.06 6.32 -11.61 22.93 6.61 -11.83 25.12 6.34 -12.70-999.99-999.99-999.99 1 0 38.03-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.C 105 24.45 5.91 -10.43 25.40 5.62 -10.39 23.76 7.24 -8.64 24.93 7.58 -8.38 23.54 5.90 -9.30 23.95 4.85 -8.25 3 0 38.53-999 ?-999 ?-999 ? ZN ZN A 401 mHIS^C 106 22.69 7.98 -8.33 21.82 7.56 -8.62 23.09 9.03 -6.13 22.37 8.20 -5.53 22.81 9.29 -7.62 21.48 10.08 -7.71 3 0 40.39-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 107 24.08 9.74 -5.56 24.54 10.37 -6.17 24.03 10.79 -3.24 24.29 11.92 -3.57 24.43 9.58 -4.14 25.97 9.40 -3.93 3 0 43.74-999 ?-999 ?-999 ? ZN ZN A 401 mALA^C 108 23.37 10.51 -2.13 23.11 9.55 -2.03 23.83 11.25 0.21 23.97 10.06 0.63 23.06 11.56 -1.14 21.58 11.61 -0.89 2 0 45.68-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 109 24.34 12.30 0.86 24.22 13.18 0.40 24.29 12.90 3.24 24.31 14.11 3.27 25.02 12.13 2.12 26.52 12.60 2.04 3 0 49.31-999 ?-999 ?-999 ? ZN ZN A 401 mGLN^C 110 23.66 12.17 4.17 23.75 11.18 4.06 23.88 13.46 6.27 24.87 12.85 6.64 22.91 12.77 5.25 22.10 11.65 5.94 2 0 50.61-999 ?-999 ?-999 ? ZN ZN A 401 mALA.C 111 23.61 14.72 6.65 22.84 15.12 6.15 23.70 15.02 9.07 22.63 14.41 9.11 24.36 15.45 7.70 24.24 16.95 7.50 2 0 54.32-999 ?-999 ?-999 ? ZN ZN A 401 mCYH~C 112 24.30 15.36 10.21 25.14 15.90 10.09 22.48 15.78 11.92 22.09 16.68 11.23 23.74 14.95 11.51 24.85 15.06 12.58 2 0 56.64-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 113 21.89 15.50 13.09 22.34 14.78 13.61 20.69 17.77 13.82 19.63 18.37 13.97 20.68 16.23 13.53 20.05 15.56 14.75 2 0 57.33-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~C 114 21.86 18.37 13.94 22.62 17.74 13.88 21.58 20.55 12.85 21.29 21.74 12.87 22.00 19.83 14.15 23.46 20.21 14.51 3 0 60.00-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 115 21.65 19.85 11.71 22.05 18.94 11.83 19.89 19.58 10.02 19.60 19.47 8.84 21.17 20.37 10.42 22.22 20.17 9.33 3 0 57.09-999 ?-999 ?-999 ? ZN ZN A 401 mASN~C 116 19.15 19.03 10.98 19.52 19.17 11.90 18.06 17.14 9.76 17.07 16.68 9.15 17.93 18.29 10.74 16.86 19.27 10.26 2 0 54.92-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 117 19.29 16.66 9.61 20.02 17.08 10.15 19.33 15.99 7.21 19.06 15.14 6.37 19.50 15.57 8.70 18.53 14.45 9.02 2 0 52.74-999 ?-999 ?-999 ? ZN ZN A 401 mALA.C 118 19.43 17.28 6.91 19.52 17.90 7.69 20.58 16.88 4.91 21.54 16.50 5.64 19.42 17.70 5.49 19.75 19.19 5.32 2 0 51.33-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 119 20.54 16.68 3.59 19.75 17.12 3.17 22.30 16.66 1.77 21.78 17.62 1.18 21.54 15.88 2.84 20.80 14.68 2.19 3 0 49.57-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 120 23.57 16.29 1.58 23.89 15.59 2.21 24.16 16.10 -0.75 24.31 14.85 -0.82 24.42 16.88 0.53 25.92 16.73 0.82 3 0 50.08-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 121 23.70 16.82 -1.77 23.55 17.80 -1.60 23.95 17.09 -4.15 24.23 18.25 -3.94 23.45 16.17 -3.03 21.93 15.85 -3.28 3 0 46.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLU^C 122 24.15 16.52 -5.32 24.00 15.53 -5.34 23.30 17.99 -6.89 22.15 17.43 -6.79 24.55 17.30 -6.47 24.97 16.40 -7.62 2 0 46.18-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 123 23.52 19.22 -7.36 24.48 19.51 -7.32 21.59 19.23 -8.86 20.34 19.23 -8.73 22.46 20.05 -7.90 23.06 21.25 -8.64 2 0 45.77-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 124 22.23 18.51 -9.77 23.23 18.57 -9.74 20.60 16.64 -10.05 19.46 16.38 -10.48 21.47 17.69 -10.74 22.36 17.05 -11.79 2 0 42.26-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~C 125 21.09 16.04 -8.96 22.01 16.31 -8.70 18.99 15.76 -7.64 17.88 15.24 -7.72 20.24 15.06 -8.23 21.02 14.37 -7.07 2 0 41.31-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 126 19.18 16.95 -7.06 20.13 17.27 -7.06 17.00 17.93 -7.56 15.79 17.73 -7.36 18.03 17.69 -6.47 18.49 19.04 -5.92 2 0 42.66-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 127 17.49 18.33 -8.73 18.48 18.44 -8.78 15.96 17.28 -10.33 14.74 17.20 -10.46 16.59 18.58 -9.82 17.32 19.32 -10.96 2 0 40.57-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 128 16.78 16.26 -10.60 17.76 16.42 -10.49 15.19 14.44 -10.08 14.23 13.79 -10.52 16.20 15.01 -11.05 17.27 13.94 -11.31 2 0 37.38-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~C 129 15.34 14.64 -8.77 16.11 15.20 -8.47 13.31 14.95 -7.27 12.51 14.58 -6.36 14.34 14.00 -7.91 15.04 13.14 -6.82 3 0 37.68-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~C 130 13.26 16.16 -7.81 13.89 16.32 -8.56 12.58 17.49 -5.76 11.65 17.71 -4.98 12.30 17.15 -7.25-999.99-999.99-999.99 1 0 39.12-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.C 131 13.85 17.50 -5.36 14.50 17.27 -6.09 14.15 19.33 -3.66 14.44 20.12 -4.53 14.22 17.82 -3.95 15.68 17.43 -3.63 2 0 42.49-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.C 132 13.81 19.70 -2.42 13.61 18.92 -1.83 15.06 21.45 -1.31 15.48 20.86 -0.27 13.74 21.07 -1.96 12.65 21.20 -0.93 2 0 45.65-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.C 133 15.68 22.49 -1.85 15.21 22.90 -2.63 16.70 23.73 -0.03 15.67 24.34 0.14 16.94 22.98 -1.34 17.55 23.92 -2.36 2 0 48.60-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 134 17.62 23.62 0.92 18.38 22.99 0.71 18.79 25.11 2.23 19.74 24.67 1.62 17.49 24.38 2.15 17.25 23.52 3.47 3 0 51.98-999 ?-999 ?-999 ? ZN ZN A 401 mALA^C 135 18.80 26.25 2.96 17.95 26.45 3.44 20.86 26.89 4.31 20.38 27.20 5.41 20.03 27.10 3.02 19.60 28.63 2.85 2 0 55.35-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.C 136 22.05 26.31 4.15 22.21 26.06 3.20 24.27 25.47 4.59 24.16 24.98 3.44 23.02 26.07 5.26 22.48 25.07 6.34 3 0 57.51-999 ?-999 ?-999 ? ZN ZN A 401 mPHE.C 137 25.45 25.60 5.24 25.36 26.13 6.09 27.28 24.18 5.89 27.51 24.67 6.97 26.76 25.02 4.75 27.85 26.07 4.42 3 0 58.45-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 138 27.51 22.90 5.63 27.32 22.62 4.69 29.43 22.19 7.09 30.27 22.58 6.24 27.99 22.01 6.69 27.77 20.63 6.07 3 0 58.72-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.C 139 29.72 21.92 8.37 28.91 21.74 8.94 31.12 20.75 10.00 30.12 20.47 10.65 31.10 21.88 8.89 31.59 23.29 9.26 3 0 61.84-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 140 32.27 20.07 10.21 33.05 20.36 9.66 31.51 19.12 12.52 30.83 18.20 13.01 32.29 18.96 11.21 33.78 18.66 11.40 3 0 62.74-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.C 141 31.58 20.32 13.07 32.12 20.99 12.57 29.41 20.91 14.16 28.68 20.86 15.13 30.90 20.59 14.32 31.66 21.72 15.07 2 0 64.85-999 ?-999 ?-999 ? ZN ZN A 401 mALA.C 142 28.99 21.30 12.96 29.71 21.41 12.27 27.27 20.92 11.37 27.34 21.56 10.30 27.57 21.55 12.71 27.23 23.02 12.67 2 0 62.40-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 143 26.95 19.63 11.46 26.95 19.23 12.38 27.34 17.58 10.18 26.79 16.61 9.63 26.62 18.88 10.27-999.99-999.99-999.99 1 0 58.90-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~C 144 28.57 17.55 10.72 28.87 18.42 11.11 30.49 16.26 9.68 30.45 17.01 8.70 29.38 16.34 10.73-999.99-999.99-999.99 1 0 59.62-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 145 31.46 15.34 9.85 31.35 14.74 10.64 32.21 14.59 7.64 32.77 14.91 6.58 32.60 15.27 8.91 33.84 14.57 9.54 2 0 59.82-999 ?-999 ?-999 ? ZN ZN A 401 mLYS~C 146 31.29 13.63 7.71 30.88 13.41 8.60 30.16 13.91 5.52 30.46 13.98 4.36 30.97 13.00 6.45 30.30 11.64 6.64 2 0 56.25-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 147 29.17 14.66 6.02 29.00 14.58 7.00 29.37 16.65 4.58 29.29 17.10 3.43 28.43 15.52 5.09 27.15 16.11 5.75 2 0 54.81-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~C 148 30.25 17.10 5.47 30.22 16.65 6.36 32.13 17.73 4.09 32.35 18.42 3.15 31.18 18.18 5.15 31.95 18.61 6.37 2 0 57.70-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 149 32.69 16.53 4.24 32.43 16.02 5.06 32.88 15.80 1.88 33.42 15.94 0.79 33.61 16.06 3.21 34.30 14.83 3.71 2 0 57.10-999 ?-999 ?-999 ? ZN ZN A 401 mALA~C 150 31.64 15.36 1.97 31.28 15.22 2.89 30.73 16.47 0.02 30.89 16.52 -1.20 30.90 15.13 0.77 29.55 14.55 1.14 2 0 53.40-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~C 151 30.43 17.54 0.78 30.38 17.31 1.75 31.40 19.42 -0.41 31.33 20.09 -1.42 30.19 18.90 0.28 29.85 19.87 1.41 3 0 54.43-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 152 32.55 19.08 0.13 32.50 18.53 0.96 34.08 18.68 -1.79 34.54 19.19 -2.82 33.76 19.54 -0.52 34.92 19.44 0.48 3 0 56.61-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 153 33.86 17.38 -1.70 33.45 17.07 -0.84 33.26 16.58 -4.03 33.69 16.36 -5.16 34.20 16.52 -2.82 34.33 15.10 -2.29 2 0 54.23-999 ?-999 ?-999 ? ZN ZN A 401 mPHE~C 154 31.97 16.87 -3.81 31.73 17.01 -2.85 31.38 18.14 -5.82 32.17 19.02 -5.46 31.00 16.96 -4.92 29.54 17.10 -4.42 3 0 51.09-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 155 30.77 18.14 -6.99 30.13 17.37 -7.09 30.18 20.41 -7.84 30.71 21.52 -7.89 30.99 19.14 -8.03 30.62 18.53 -9.39 2 0 50.66-999 ?-999 ?-999 ? ZN ZN A 401 mASP.C 156 28.88 20.24 -7.67 28.58 19.29 -7.66 26.99 20.97 -6.43 25.79 20.80 -6.61 27.99 21.38 -7.51 27.36 21.73 -8.89 2 0 50.17-999 ?-999 ?-999 ? ZN ZN A 401 mPRO^C 157 27.50 20.85 -5.22 28.48 21.06 -5.15 25.68 21.43 -3.63 25.92 22.60 -3.61 26.66 20.44 -4.12 27.68 20.08 -3.06 3 0 50.54-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 158 24.57 20.89 -3.19 24.52 19.90 -3.26 23.02 20.86 -1.43 23.21 19.65 -1.35 23.54 21.67 -2.64 22.47 21.86 -3.77 3 0 50.28-999 ?-999 ?-999 ? ZN ZN A 401 mMET^C 159 22.41 21.55 -0.47 22.39 22.54 -0.61 20.32 20.75 0.41 19.69 21.65 -0.17 21.82 20.89 0.68 22.04 21.71 1.97 2 0 50.93-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 160 19.77 19.60 0.77 20.39 18.91 1.15 17.74 18.95 1.90 18.36 18.30 2.71 18.37 19.41 0.59 18.02 18.45 -0.60 3 0 48.33-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.C 161 16.51 19.37 2.10 16.15 19.92 1.34 15.62 17.61 3.56 15.63 17.19 4.72 15.77 19.08 3.28 14.44 19.70 3.13 2 0 48.88-999 ?-999 ?-999 ? ZN ZN A 401 mSER.C 162 15.39 16.85 2.48 15.32 17.37 1.63 15.25 14.83 1.10 15.41 15.57 0.13 15.26 15.39 2.54 13.95 14.99 3.27 2 0 46.13-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.C 163 15.13 13.51 0.97 15.12 13.00 1.83 13.55 12.57 -0.59 13.24 11.90 -1.59 15.02 12.90 -0.34 15.81 11.57 -0.38 3 0 42.62-999 ?-999 ?-999 ? ZN ZN A 401 mLYS.C 164 12.65 13.02 0.30 13.03 13.59 1.03 11.09 11.13 0.17 10.23 10.59 -0.47 11.23 12.70 0.20 10.58 13.31 -1.09 2 0 41.36-999 ?-999 ?-999 ? ZN ZN A 401 mALA.C 165 11.94 10.42 0.91 12.60 10.97 1.43 11.94 8.29 -0.39 11.19 7.34 -0.65 11.93 8.98 0.97 10.77 8.48 1.81 2 0 40.50-999 ?-999 ?-999 ? ZN ZN A 401 mGLN.C 166 12.89 8.70 -1.21 13.50 9.40 -0.85 14.21 7.28 -2.77 14.38 6.72 -3.89 12.98 8.13 -2.53 12.95 9.28 -3.57 2 0 37.80-999 ?-999 ?-999 ? ZN ZN A 401 mALA.C 167 15.10 7.18 -1.80 14.90 7.69 -0.97 15.87 4.87 -2.28 14.88 4.37 -1.69 16.29 6.34 -2.07 17.37 6.49 -0.94 2 0 39.05-999 ?-999 ?-999 ? ZN ZN A 401 mHIS.C 168 16.62 4.22 -3.17 17.34 4.77 -3.59 17.28 1.91 -2.63 17.01 0.72 -2.53 16.39 2.83 -3.49 16.71 2.54 -4.95 3 0 36.82-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^C 169 18.37 2.46 -2.10 18.56 3.41 -2.36 20.09 2.61 -0.43 20.06 3.83 -0.67 19.19 1.66 -1.20-999.99-999.99-999.99 1 0 39.87-999 ?-999 ?-999 ? ZN ZN A 401 mGLY^C 170 20.88 2.08 0.51 20.81 1.09 0.65 22.55 2.27 2.35 22.40 1.07 2.60 21.77 2.95 1.25-999.99-999.99-999.99 1 0 43.60-999 ?-999 ?-999 ? ZN ZN A 401 mMET^C 171 23.41 3.02 3.00 23.51 3.96 2.66 24.16 3.40 5.33 24.22 4.63 5.19 24.13 2.46 4.14 25.56 2.13 3.77 2 0 47.10-999 ?-999 ?-999 ? ZN ZN A 401 mASP^C 172 24.15 2.78 6.51 24.09 1.79 6.40 25.51 3.03 8.51 25.67 1.89 8.86 24.20 3.48 7.83 22.97 3.12 8.70 2 0 50.25-999 ?-999 ?-999 ? ZN ZN A 401 mILE^C 173 26.44 3.95 8.70 26.19 4.87 8.39 27.76 4.18 10.69 28.08 5.35 10.86 27.70 3.61 9.31 28.87 4.21 8.58 3 0 53.47-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 174 27.41 3.35 11.67 27.09 2.45 11.39 26.25 4.03 13.81 26.24 4.77 14.78 27.52 3.81 13.05-999.99-999.99-999.99 1 0 56.34-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 175 25.16 3.43 13.36 25.27 2.86 12.54 23.37 5.07 14.02 22.83 5.54 14.98 23.93 3.63 14.07-999.99-999.99-999.99 1 0 55.20-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.C 176 23.54 5.78 12.92 24.06 5.37 12.18 21.56 7.03 12.36 20.87 8.00 12.52 22.96 7.08 12.89 23.73 8.05 11.95 3 0 54.60-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.C 177 21.12 5.92 11.77 21.79 5.18 11.77 19.67 6.45 9.72 20.15 7.57 9.48 19.77 5.81 11.17 18.70 6.48 12.05 3 0 51.27-999 ?-999 ?-999 ? ZN ZN A 401 mILE~C 178 19.07 5.72 8.78 18.78 4.82 9.09 17.53 5.88 6.85 17.16 6.26 5.75 18.88 6.26 7.42 19.94 5.73 6.40 3 0 47.86-999 ?-999 ?-999 ? ZN ZN A 401 mGLY~C 179 16.75 5.16 7.63 17.08 5.02 8.57 14.51 5.63 6.56 13.69 5.24 5.68 15.52 4.64 7.11-999.99-999.99-999.99 1 0 45.59-999 ?-999 ?-999 ? ZN ZN A 401 mMET~C 180 14.49 6.84 7.14 15.19 6.99 7.83 13.70 8.19 5.30 12.73 8.55 4.68 13.54 7.84 6.77 13.65 9.09 7.69 2 0 45.51-999 ?-999 ?-999 ? ZN ZN A 401 mHIS~C 181 14.91 8.02 4.75 15.59 7.67 5.39 14.93 7.18 2.33 14.94 7.41 1.12 15.25 8.30 3.37 16.73 8.61 3.30 3 0 43.58-999 ?-999 ?-999 ? ZN ZN A 401 mLEU~C 182 14.53 5.99 2.78 14.39 5.91 3.77 12.91 4.72 1.48 12.02 4.77 2.32 14.34 4.93 1.84 14.83 3.62 2.50 3 0 40.72-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 183 12.68 4.35 0.22 13.47 4.27 -0.38 10.90 2.68 0.29 11.77 1.84 0.46 11.31 4.11 -0.18 11.24 4.20 -1.71 2 0 37.43-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 184 9.58 2.41 0.50 8.96 3.18 0.35 9.54 0.16 -0.23 9.55 0.59 -1.41 9.12 1.08 0.91 7.58 1.20 0.97 3 0 36.62-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.C 185 9.96 -1.05 0.08 10.18 -1.55 -0.76 11.61 -1.80 1.68 12.30 -2.41 0.88 10.11 -1.63 1.42 9.43 -2.99 1.46 3 0 36.86-999 ?-999 ?-999 ? ZN ZN A 401 mALA^C 186 12.13 -1.31 2.83 11.51 -0.88 3.49 13.86 -2.86 3.46 13.11 -3.46 4.26 13.54 -1.44 3.01 14.13 -0.33 4.03 2 0 39.75-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 187 14.96 -3.40 2.94 15.49 -2.81 2.33 16.79 -4.69 3.64 17.64 -4.35 2.83 15.33 -4.77 3.25 15.19 -5.73 2.04 3 0 40.35-999 ?-999 ?-999 ? ZN ZN A 401 mPRO^C 188 17.09 -5.01 4.90 16.31 -5.26 5.48 19.23 -6.03 4.62 18.68 -7.05 4.25 18.47 -4.98 5.37 18.33 -5.30 6.87 3 0 43.74-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 189 20.48 -5.73 4.33 20.76 -4.84 4.67 22.55 -7.07 4.41 23.37 -6.27 4.80 21.36 -6.65 3.58 21.92 -5.99 2.33 3 0 43.75-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 190 22.67 -8.35 4.67 21.94 -8.93 4.30 24.94 -8.84 4.46 24.90 -9.50 3.42 23.80 -8.81 5.45 23.50 -10.22 5.97 2 0 46.67-999 ?-999 ?-999 ? ZN ZN A 401 mLEU.C 191 25.97 -8.09 4.72 25.91 -7.54 5.55 28.21 -8.84 4.58 28.19 -8.85 5.81 27.08 -8.15 3.80 27.55 -6.72 3.46 3 0 47.47-999 ?-999 ?-999 ? ZN ZN A 401 mSER.C 192 29.21 -9.36 3.88 29.08 -9.32 2.89 31.12 -8.87 5.40 31.51 -9.13 6.52 30.38 -9.95 4.56 31.28 -10.53 3.49 2 0 50.27-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.C 193 31.30 -7.65 4.84 30.97 -7.61 3.90 30.90 -6.03 6.58 29.82 -5.46 6.26 31.92 -6.49 5.51 32.09 -5.31 4.51 3 0 52.04-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 194 31.25 -6.22 7.84 32.17 -6.59 7.98 30.59 -4.62 9.61 29.80 -4.18 10.40 30.36 -5.92 8.92 30.41 -7.07 9.92 2 0 53.53-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^C 195 31.72 -4.02 9.31 32.26 -4.53 8.64 32.96 -1.92 8.93 33.56 -2.45 8.03 32.12 -2.76 9.89 32.97 -2.96 11.14 2 0 55.65-999 ?-999 ?-999 ? ZN ZN A 401 mILE^C 196 32.98 -0.62 9.17 32.37 -0.35 9.92 34.49 0.88 9.67 33.80 1.40 10.56 33.81 0.33 8.40 32.96 1.41 7.70 3 0 56.08-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 197 35.81 0.64 9.78 36.22 0.20 8.99 35.87 0.29 12.15 35.55 -0.88 12.02 36.56 1.01 10.99-999.99-999.99-999.99 1 0 59.91-999 ?-999 ?-999 ? ZN ZN A 401 mGLU.C 198 35.64 0.98 13.26 35.95 1.93 13.24 33.44 0.53 14.37 32.76 0.03 15.24 34.98 0.39 14.39 35.51 1.04 15.65 2 0 61.28-999 ?-999 ?-999 ? ZN ZN A 401 mALA^C 199 32.90 1.22 13.35 33.58 1.56 12.70 30.76 0.26 12.57 31.24 -0.27 11.59 31.45 1.46 13.22 31.20 2.74 12.38 2 0 58.33-999 ?-999 ?-999 ? ZN ZN A 401 mVAL^C 200 29.62 -0.16 13.14 29.37 0.36 13.96 28.20 -0.82 11.31 27.67 0.31 11.20 28.82 -1.26 12.62 27.77 -1.61 13.64 3 0 55.87-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 201 28.29 -1.66 10.27 28.73 -2.53 10.46 26.40 -1.85 8.77 26.22 -3.04 8.98 27.75 -1.25 8.98 28.69 -1.68 7.83 3 0 52.37-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 202 25.41 -1.01 8.48 25.65 -0.04 8.53 23.78 -1.04 6.68 23.82 0.13 6.39 24.07 -1.53 8.14 22.98 -1.03 9.09 3 0 49.48-999 ?-999 ?-999 ? ZN ZN A 401 mALA^C 203 23.56 -1.98 5.77 23.62 -2.91 6.13 21.82 -2.20 4.16 21.40 -3.25 4.74 23.24 -1.70 4.38 24.17 -2.43 3.44 2 0 45.97-999 ?-999 ?-999 ? ZN ZN A 401 mALA^C 204 21.05 -1.45 3.33 21.47 -0.61 2.97 19.36 -1.66 1.54 19.91 -0.78 0.92 19.67 -1.90 3.03 18.57 -1.14 4.00 2 0 42.79-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^C 205 18.56 -2.52 0.96 18.26 -3.28 1.53 16.65 -2.06 -0.20 16.19 -1.92 0.96 18.15 -2.32 -0.41 18.39 -3.60 -1.26 2 0 39.08-999 ?-999 ?-999 ? ZN ZN A 401 mTHR^C 206 15.91 -1.90 -1.28 16.40 -1.93 -2.15 13.92 -2.63 -2.19 14.60 -2.95 -3.17 14.48 -1.72 -1.16 14.03 -0.26 -1.46 2 0 36.57-999 ?-999 ?-999 ? ZN ZN A 401 mARG.C 207 12.68 -3.01 -1.99 12.25 -2.67 -1.16 10.55 -3.54 -2.85 10.05 -3.11 -1.79 12.04 -3.87 -2.97 12.22 -5.33 -2.60 2 0 33.47-999 ?-999 ?-999 ? ZN ZN A 401 mPRO.C 208 9.80 -3.86 -3.91 10.26 -4.28 -4.69 7.51 -4.25 -2.79 7.76 -5.37 -2.40 8.36 -3.55 -3.84 7.89 -3.88 -5.26 3 0 31.10-999 ?-999 ?-999 ? ZN ZN A 401 mLYS^C 209 6.46 -3.60 -2.35 6.34 -2.65 -2.65 4.96 -5.60 -2.07 4.51 -5.63 -3.23 5.58 -4.29 -1.47 4.44 -3.39 -1.09 2 0 32.19-999 ?-999 ?-999 ? ZN ZN A 401 mLEU^C 210 4.89 -6.63 -1.23 5.33 -6.45 -0.35 2.72 -7.75 -1.26 2.32 -7.51 -0.12 4.25 -7.90 -1.54 4.88 -9.03 -0.64 3 0 31.49-999 ?-999 ?-999 ? ZN ZN A 401 mVAL.C 211 1.87 -7.91 -2.29 2.31 -8.16 -3.16 -0.45 -8.93 -2.57 0.04 -9.78 -3.28 0.41 -7.73 -2.10 -0.06 -6.45 -2.90 3 0 30.12-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 212 -1.75 -8.90 -2.22 -2.03 -8.11 -1.68 -2.84 -10.98 -1.48 -1.89 -11.26 -0.69 -2.69 -9.93 -2.61-999.99-999.99-999.99 1 0 29.33-999 ?-999 ?-999 ? ZN ZN A 401 mGLY.C 213 -4.04 -11.58 -1.46 -4.65 -11.30 -2.19 -3.84 -13.98 -0.57 -2.80 -14.20 -1.18 -4.41 -12.56 -0.45-999.99-999.99-999.99 1 0 31.34-999 ?-999 ?-999 ? ZN ZN A1402 mALA.C 214 -4.53 -14.93 0.09 -5.34 -14.58 0.55 -3.96 -17.06 -1.18 -3.15 -17.99 -1.23 -4.11 -16.34 0.14 -5.05 -17.15 1.04 2 0 32.04-999 ?-999 ?-999 ? ZN ZN A1402 mARG.C 215 -4.66 -16.64 -2.23 -5.26 -15.84 -2.08 -3.45 -16.76 -4.45 -3.17 -17.36 -5.48 -4.53 -17.32 -3.51 -5.87 -17.34 -4.20 2 0 28.49-999 ?-999 ?-999 ? ZN ZN A1402 mALA.C 216 -2.83 -15.65 -4.07 -3.09 -15.32 -3.16 -0.50 -15.65 -5.02 -0.15 -16.41 -4.14 -1.86 -14.98 -4.92 -1.70 -13.45 -4.43 2 0 27.37-999 ?-999 ?-999 ? ZN ZN A1402 mVAL.C 217 0.28 -15.38 -6.06 -0.10 -14.75 -6.74 2.62 -14.94 -6.47 2.31 -13.84 -6.92 1.59 -15.99 -6.17 1.59 -17.12 -7.23 3 0 27.24-999 ?-999 ?-999 ? ZN ZN A1402 mTYR.C 218 3.88 -15.28 -6.28 4.03 -16.24 -6.06 6.03 -14.50 -7.28 7.00 -13.72 -7.23 4.92 -14.28 -6.38 5.45 -13.97 -4.94 3 0 27.71-999 ?-999 ?-999 ? ZN ZN A 401 mTHR~C 219 5.92 -15.53 -8.12 5.10 -16.09 -8.00 6.35 -16.10 -10.49 5.21 -16.60 -10.53 6.97 -15.77 -9.14 7.90 -16.96 -8.82 2 0 26.40-999 ?-999 ?-999 ? ZN ZN A 401 mARG~C 220 7.10 -15.88 -11.58 8.02 -15.52 -11.41 6.30 -17.65 -13.07 5.32 -18.05 -13.70 6.55 -16.18 -12.90 7.43 -15.69 -14.02 2 0 23.17-999 ?-999 ?-999 ? ZN ZN A 401 mGLU~C 221 7.16 -18.46 -12.45 7.88 -17.97 -11.97 5.76 -20.34 -11.83 5.06 -21.14 -12.40 7.07 -19.91 -12.47 8.26 -20.48 -11.68 2 0 25.12-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~C 222 5.43 -19.82 -10.64 6.10 -19.18 -10.27 2.94 -19.70 -10.73 1.84 -20.33 -10.67 4.17 -20.17 -9.98 4.18 -19.61 -8.58 2 0 25.61-999 ?-999 ?-999 ? ZN ZN A1402 mMET~C 223 3.10 -18.55 -11.40 3.99 -18.12 -11.28 1.74 -19.03 -13.35 0.60 -19.40 -13.56 2.00 -18.01 -12.22 2.36 -16.64 -12.84 2 0 22.20-999 ?-999 ?-999 ? ZN ZN A1402 mLEU~C 224 2.78 -19.48 -14.04 3.66 -19.10 -13.75 1.95 -21.78 -14.66 1.12 -22.32 -15.38 2.61 -20.47 -15.13 3.95 -20.74 -15.84 3 0 20.70-999 ?-999 ?-999 ? ZN ZN A1402 mLYS~C 225 2.29 -22.28 -13.45 3.00 -21.77 -12.98 0.19 -23.23 -12.69 -0.60 -24.08 -13.03 1.66 -23.50 -12.90 2.27 -23.91 -11.57 2 0 23.17-999 ?-999 ?-999 ? ZN ZN A1402 mLYS~C 226 -0.19 -22.07 -12.13 0.54 -21.45 -11.86 -2.37 -21.78 -13.31 -3.57 -22.07 -13.37 -1.62 -21.81 -11.97 -1.85 -20.50 -11.22 2 0 22.13-999 ?-999 ?-999 ? ZN ZN A1402 mLEU~C 227 -1.65 -21.38 -14.37 -0.71 -21.11 -14.16 -2.41 -22.77 -16.28 -3.46 -23.07 -16.85 -2.23 -21.34 -15.71 -1.38 -20.49 -16.66 3 0 18.50-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~C 228 -1.42 -23.66 -16.09 -0.62 -23.29 -15.62 -2.73 -25.62 -15.84 -3.58 -26.25 -16.48 -1.55 -25.05 -16.54 -0.42 -25.95 -16.11 2 0 19.87-999 ?-999 ?-999 ? ZN ZN A1402 mGLU~C 229 -2.77 -25.43 -14.52 -1.98 -24.95 -14.15 -5.24 -25.32 -14.23 -6.33 -25.92 -14.11 -3.90 -25.91 -13.70 -3.71 -25.50 -12.23 2 0 21.98-999 ?-999 ?-999 ? ZN ZN A1402 mPHE~C 230 -5.15 -24.13 -14.83 -4.23 -23.72 -14.86 -6.65 -24.11 -16.79 -5.73 -24.18 -17.65 -6.34 -23.51 -15.39 -6.17 -21.96 -15.45 3 0 18.95-999 ?-999 ?-999 ? ZN ZN A1402