HEADER UNKNOWN FUNCTION 30-JUN-08 3DMC COMPND NTF2-LIKE PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS ATCC 29413; SOURCE 3 ORGANISM_TAXID: 240292; SOURCE 4 ATCC: 29413; SOURCE 5 GENE: YP_322774.1, AVA_2261; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 2 8 HET MSE A 35 8 HET MSE A 46 8 HET MSE B 1 8 HET MSE B 2 8 HET MSE B 35 8 HET MSE B 46 8 HET ACT A 134 4 HET ACT B 134 4 SITE 1 AC1 5 HIS A 4 TYR A 5 ASP A 95 TYR A 104 SITE 1 AC2 5 HIS B 4 TYR B 5 ASP B 95 TYR B 104 mGLY.A 0 33.89 8.38 0.51 33.05 8.89 0.68 35.40 6.48 1.22 34.85 6.44 2.33 35.16 7.61 0.26-999.99-999.99-999.99 1 0 23.91-999 ?-999 ?-999 ? CH3 ACT B 134 mMETA 1 36.19 5.53 0.75 36.51 5.69 -0.18 37.38 4.72 2.77 37.28 4.06 3.81 36.56 4.35 1.53 37.37 3.38 0.68 2 0 25.59-999 ?-999 ?-999 ? CH3 ACT B 134 mMETA 2 38.20 5.76 2.62 38.02 6.30 1.79 38.95 7.26 4.54 38.51 8.33 4.12 39.25 6.08 3.62 40.63 6.29 2.98 2 0 28.20-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR.A 3 39.26 7.06 5.81 39.57 6.13 6.02 40.41 8.19 7.68 41.38 7.45 7.49 39.15 8.12 6.79 37.89 7.97 7.66 2 0 26.94-999 ?-999 ?-999 ? CH3 ACT A 134 mHIS.A 4 40.37 9.12 8.60 39.45 9.51 8.71 41.06 10.54 10.40 40.00 11.13 10.24 41.54 9.53 9.39 42.60 10.17 8.48 3 0 -28.73-999 ?-999 ?-999 ? CH3 ACT A 134s mTYR.A 5 41.84 10.73 11.45 42.72 10.25 11.43 41.14 13.01 12.00 40.44 13.81 12.63 41.38 11.59 12.52 42.30 11.58 13.77 3 0 -28.33-999 ?-999 ?-999 ? CH3 ACT A 134s mSER.A 6 41.70 13.33 10.84 42.20 12.57 10.42 40.30 14.88 9.45 40.06 15.92 8.87 41.59 14.69 10.23 42.78 14.99 9.31 2 0 28.89-999 ?-999 ?-999 ? CH3 ACT A 134 mASP~A 7 39.49 13.83 9.44 39.87 13.04 9.92 37.13 14.68 9.61 36.38 14.17 10.44 38.15 13.85 8.79 37.70 12.40 8.53 2 0 25.58-999 ?-999 ?-999 ? CH3 ACT A 134 mASN~A 8 37.12 15.98 9.35 37.69 16.22 8.57 34.88 16.76 9.78 33.99 16.96 10.62 36.33 16.95 10.12 36.73 18.38 9.71 2 0 24.18-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR~A 9 34.64 16.37 8.55 35.46 16.24 7.99 32.57 15.09 8.95 31.49 15.30 9.48 33.26 16.17 8.09 33.21 15.89 6.56 2 0 21.39-999 ?-999 ?-999 ? CH3 ACT A 134 mLEU~A 10 33.24 13.96 9.09 34.11 13.94 8.59 32.62 13.27 11.36 31.61 13.01 12.02 32.73 12.86 9.90 33.59 11.61 9.79 3 0 19.98-999 ?-999 ?-999 ? CH3 ACT A 134 mLYS~A 11 33.67 13.92 11.87 34.42 14.10 11.23 32.51 15.22 13.60 31.74 14.97 14.53 33.70 14.32 13.26 35.01 15.03 13.60 2 0 20.92-999 ?-999 ?-999 ? CH3 ACT A 134 mVAL~A 12 32.37 16.27 12.81 33.03 16.31 12.06 29.93 16.64 12.87 29.04 16.84 13.69 31.32 17.27 13.04 31.49 18.51 12.13 3 0 19.31-999 ?-999 ?-999 ? CH3 ACT A 134 mALA~A 13 29.76 15.87 11.81 30.57 15.81 11.23 28.08 14.28 12.75 26.92 14.25 13.22 28.44 15.19 11.57 28.44 14.37 10.24 2 0 16.00-999 ?-999 ?-999 ? CH3 ACT A 134 mHIS~A 14 29.07 13.53 13.22 29.95 13.65 12.76 28.40 13.41 15.57 27.56 12.97 16.35 28.81 12.61 14.34 29.99 11.69 14.68 3 0 15.91-999 ?-999 ?-999 ? CH3 ACT A 134 mGLN~A 15 29.00 14.57 15.76 29.68 14.83 15.07 27.21 15.85 16.75 26.41 15.81 17.66 28.63 15.39 16.93 29.56 16.58 17.13 2 0 16.70-999 ?-999 ?-999 ? CH3 ACT A 134 mGLY~A 16 26.89 16.31 15.55 27.67 16.36 14.92 24.52 15.56 15.46 23.41 15.80 15.99 25.51 16.68 15.22-999.99-999.99-999.99 1 0 13.90-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE~A 17 24.93 14.35 15.12 25.88 14.30 14.79 23.80 12.87 16.72 22.71 12.52 17.13 24.03 13.19 15.24 24.50 11.96 14.48 3 0 11.46-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU~A 18 24.83 13.08 17.53 25.68 13.32 17.08 23.59 13.92 19.49 22.71 13.55 20.23 24.64 12.94 18.99 25.96 13.19 19.73 2 0 13.28-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE~A 19 23.70 15.18 19.09 24.46 15.35 18.48 21.33 15.95 18.98 20.32 16.27 19.61 22.74 16.20 19.55 23.20 17.65 19.32 3 0 12.89-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE~A 20 21.30 15.33 17.80 22.21 15.13 17.44 19.36 13.84 17.89 18.17 13.86 18.20 20.03 14.99 17.12 20.33 14.60 15.67 3 0 9.12-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR~A 21 20.18 12.88 18.29 21.13 13.01 18.00 19.08 12.29 20.38 17.99 11.90 20.78 19.72 11.74 19.10 20.88 10.77 19.41 2 0 9.19-999 ?-999 ?-999 ? CH3 ACT A 134 mGLN~A 22 19.82 13.20 21.01 20.67 13.43 20.53 18.08 14.58 22.14 17.17 14.50 22.98 19.40 13.80 22.30 20.50 14.70 22.84 2 0 11.75-999 ?-999 ?-999 ? CH3 ACT A 134 mGLY~A 23 17.95 15.28 21.02 18.73 15.23 20.40 15.56 15.14 20.57 14.47 15.39 21.07 16.75 16.04 20.74-999.99-999.99-999.99 1 0 10.10-999 ?-999 ?-999 ? CH3 ACT A 134 mLEU~A 24 15.78 14.03 19.86 16.71 13.91 19.52 14.26 12.49 20.96 13.09 12.30 21.18 14.70 13.11 19.63 15.13 11.98 18.72 3 0 7.33-999 ?-999 ?-999 ? CH3 ACT A 134 mALA~A 25 15.22 12.15 21.81 16.13 12.47 21.54 14.30 12.27 24.10 13.55 11.82 24.96 14.91 11.38 23.04 16.16 10.69 23.60 2 0 10.40-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR~A 26 14.65 13.54 24.07 15.12 13.79 23.22 13.55 15.70 24.85 12.97 16.33 25.73 14.37 14.46 25.19 15.67 14.98 25.86 2 0 12.92-999 ?-999 ?-999 ? CH3 ACT A 134 mGLY~A 27 13.53 16.06 23.58 14.09 15.46 23.00 13.53 18.51 23.30 13.03 19.61 23.06 12.79 17.21 23.07-999.99-999.99-999.99 1 0 12.00-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU.A 28 14.75 18.38 23.78 14.99 17.43 24.01 16.61 19.63 22.76 17.51 18.81 22.58 15.65 19.53 23.94 16.47 19.40 25.23 2 0 14.26-999 ?-999 ?-999 ? CH3 ACT A 134 mTRP~A 29 16.39 20.65 21.96 15.72 21.30 22.33 18.14 21.91 20.63 18.80 22.09 19.60 17.06 20.81 20.67 16.01 21.06 19.57 3 0 13.19-999 ?-999 ?-999 ? CH3 ACT A 134 mGLN~A 30 18.33 22.64 21.73 17.83 22.34 22.54 20.66 23.41 21.21 21.31 24.14 20.46 19.26 23.78 21.66 19.31 24.59 22.96 2 0 16.74-999 ?-999 ?-999 ? CH3 ACT A 134 mLYS~A 31 21.14 22.25 21.64 20.47 21.69 22.14 22.70 21.59 19.91 23.69 21.97 19.30 22.53 21.87 21.40 22.96 20.68 22.27 2 0 16.78-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE~A 32 21.69 20.92 19.33 20.98 20.63 19.96 21.61 21.99 17.10 22.37 22.22 16.17 21.68 20.67 17.88 20.53 19.72 17.47 3 0 13.92-999 ?-999 ?-999 ? CH3 ACT A 134 mLEU~A 33 20.70 22.86 17.51 20.19 22.57 18.32 21.74 25.00 16.84 22.07 25.69 15.87 20.48 24.14 16.83 19.33 24.92 17.48 3 0 15.62-999 ?-999 ?-999 ? CH3 ACT A 134 mASP~A 34 22.46 24.92 17.94 22.12 24.25 18.61 24.73 25.36 17.14 25.68 26.12 16.87 23.64 25.75 18.14 24.17 25.65 19.58 2 0 18.93-999 ?-999 ?-999 ? CH3 ACT A 134 mMETA 35 24.60 24.16 16.58 23.78 23.66 16.85 25.25 23.96 14.23 25.99 23.57 13.32 25.61 23.67 15.66 25.81 22.17 15.82 2 0 18.06-999 ?-999 ?-999 ? CH3 ACT A 134 mLEU^A 36 24.12 24.63 14.03 23.65 24.89 14.87 24.10 26.32 12.20 24.13 27.28 12.97 23.64 24.93 12.66 22.11 24.82 12.59 3 0 17.51-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR^A 37 24.46 26.40 10.93 24.42 25.53 10.45 23.68 28.60 10.14 22.52 28.20 10.16 24.88 27.66 10.30 25.54 27.45 8.92 2 0 20.59-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU^A 38 23.96 29.89 9.98 24.93 30.12 9.93 22.04 30.68 8.65 20.87 31.07 8.61 22.89 30.87 9.90 23.44 32.30 9.95 2 0 22.36-999 ?-999 ?-999 ? CH3 ACT A 134 mASP^A 39 22.65 30.09 7.63 23.59 29.82 7.84 21.51 28.42 6.22 21.25 27.91 5.14 22.00 29.86 6.33 22.90 30.21 5.13 2 0 21.86-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE^A 40 21.37 27.80 7.38 21.61 28.37 8.17 19.62 26.17 6.67 18.68 26.95 6.78 20.91 26.40 7.48 20.65 26.02 8.94 3 0 18.09-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR^A 41 19.59 25.10 5.88 20.46 24.62 5.79 18.06 23.25 5.49 18.96 22.49 5.84 18.34 24.70 5.20 18.40 24.84 3.68 2 0 16.55-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE^A 42 16.80 22.89 5.40 16.17 23.64 5.17 15.31 21.12 4.72 14.41 21.91 4.44 16.43 21.48 5.64 16.08 21.17 7.10 3 0 13.04-999 ?-999 ?-999 ? OXT ACT A 134 mTRP^A 43 15.38 19.89 4.24 16.18 19.39 4.56 13.63 18.19 4.05 14.26 17.32 4.65 14.35 19.34 3.34 15.01 18.80 2.06 3 0 12.01-999 ?-999 ?-999 ? OXT ACT A 134 mPHE^A 44 12.31 18.19 3.96 11.95 18.95 3.41 10.35 16.71 3.63 9.91 17.43 2.77 11.46 17.19 4.60 10.93 17.76 5.93 3 0 9.16-999 ?-999 ?-999 ? OXT ACT A 134 mPRO.A 45 9.93 15.44 3.74 10.16 14.93 4.57 7.73 15.35 2.46 7.21 15.35 1.35 9.16 14.91 2.62 9.19 13.39 2.86 3 0 9.79-999 ?-999 ?-999 ? OXT ACT A 134 mMETA 46 7.09 15.70 3.57 7.68 15.78 4.38 5.17 16.85 4.68 5.85 17.12 5.66 5.64 15.94 3.58 4.86 14.61 3.65 2 0 10.72-999 ?-999 ?-999 ? OXT ACT A 134 mGLY.A 47 3.95 17.29 4.47 3.60 17.07 3.56 3.57 19.46 5.48 4.02 20.00 4.48 3.18 18.02 5.46-999.99-999.99-999.99 1 0 12.11-999 ?-999 ?-999 ? OXT ACT A 134 mGLU.A 48 3.38 20.05 6.64 3.08 19.42 7.36 4.97 21.91 6.41 5.17 22.99 5.88 3.59 21.49 6.83 3.38 21.90 8.29 2 0 13.65-999 ?-999 ?-999 ? OXT ACT A 134 mPHE.A 49 5.94 21.04 6.69 5.61 20.20 7.10 7.88 20.63 5.14 9.07 20.50 4.91 7.36 21.31 6.42 8.21 20.93 7.63 3 0 12.00-999 ?-999 ?-999 ? OXT ACT A 134 mHIS.A 50 6.95 20.24 4.28 6.00 20.37 4.56 8.27 20.62 2.27 8.03 21.83 2.24 7.37 19.66 3.01 6.16 19.33 2.13 3 0 12.58-999 ?-999 ?-999 ? OXT ACT A 134 mGLY^A 51 9.31 20.07 1.67 9.41 19.10 1.91 11.37 21.47 1.45 11.82 21.07 2.52 10.22 20.76 0.78-999.99-999.99-999.99 1 0 14.42-999 ?-999 ?-999 ? OXT ACT A 134 mLEU^A 52 11.82 22.54 0.81 11.31 22.77 -0.02 12.52 24.33 2.32 11.57 25.11 2.11 12.96 23.31 1.29 13.68 24.01 0.13 3 0 15.99-999 ?-999 ?-999 ? OXT ACT A 134 mASN^A 53 13.20 24.30 3.45 13.91 23.59 3.47 14.21 25.95 4.88 15.27 25.36 4.92 12.95 25.21 4.57 12.53 24.41 5.81 2 0 15.82-999 ?-999 ?-999 ? OXT ACT A 134 mVAL^A 54 14.09 27.26 5.11 13.16 27.60 5.19 15.39 28.74 6.60 14.42 29.29 7.11 15.29 28.09 5.24 15.30 29.18 4.12 3 0 18.59-999 ?-999 ?-999 ? OXT ACT A 134 mGLY~A 55 16.57 28.63 7.19 17.21 28.06 6.68 16.61 28.62 9.77 15.82 27.67 9.86 16.89 29.31 8.45-999.99-999.99-999.99 1 0 19.21-999 ?-999 ?-999 ? CH3 ACT A 134 mLYS~A 56 17.27 29.14 10.81 17.75 29.99 10.59 16.02 28.71 12.97 15.69 27.90 13.81 17.29 28.50 12.14 18.52 28.92 12.95 2 0 18.02-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU~A 57 15.31 29.80 12.71 15.74 30.42 12.05 13.05 28.94 12.92 12.33 28.34 13.72 14.01 30.02 13.37 13.41 31.37 13.00 2 0 19.06-999 ?-999 ?-999 ? CH3 ACT A 134 mARG~A 58 13.01 28.75 11.62 13.62 29.36 11.10 12.59 26.33 11.44 11.77 25.43 11.70 12.14 27.74 11.01 12.13 27.86 9.49 2 0 16.71-999 ?-999 ?-999 ? OXT ACT A 134 mALA~A 59 13.89 26.16 11.60 14.43 26.97 11.38 13.90 24.54 13.46 13.45 23.44 13.76 14.44 24.85 12.07 15.95 24.86 12.07 2 0 13.94-999 ?-999 ?-999 ? CH3 ACT A 134 mLYS~A 60 13.94 25.54 14.33 14.35 26.38 13.97 11.94 24.98 15.69 11.49 24.11 16.45 13.42 25.37 15.69 13.61 26.64 16.53 2 0 14.67-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU~A 61 11.19 25.61 14.81 11.68 26.28 14.25 9.61 23.83 14.38 8.86 23.09 15.01 9.76 25.31 14.72 9.10 26.17 13.66 2 0 14.69-999 ?-999 ?-999 ? OXT ACT A 134 mPHE~A 62 10.34 23.44 13.35 10.89 24.18 12.96 10.63 21.03 13.98 9.88 20.05 14.25 10.30 22.05 12.86 11.28 21.88 11.70 3 0 11.11-999 ?-999 ?-999 ? OXT ACT A 134 mPHE~A 63 11.75 21.26 14.65 12.21 22.12 14.44 11.27 20.21 16.86 11.01 19.16 17.43 12.21 20.25 15.64 13.68 20.49 15.98 3 0 9.71-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR~A 64 10.75 21.37 17.22 11.09 22.17 16.71 8.49 20.66 17.90 7.90 19.94 18.71 9.74 21.44 18.27 9.36 22.90 18.59 2 0 12.24-999 ?-999 ?-999 ? CH3 ACT A 134 mTYR~A 65 8.15 20.78 16.63 8.77 21.36 16.11 7.17 18.63 16.07 6.26 17.87 16.37 6.98 20.13 16.04 6.76 20.61 14.60 3 0 10.99-999 ?-999 ?-999 ? OXT ACT A 134 mVAL~A 66 8.38 18.22 15.74 9.02 18.97 15.55 8.45 16.19 17.07 7.83 15.15 17.21 8.70 16.78 15.69 10.14 16.52 15.23 3 0 7.54-999 ?-999 ?-999 ? OXT ACT A 134 mSER~A 67 8.95 16.88 18.09 9.34 17.76 17.83 7.54 16.53 20.17 7.24 15.84 21.14 8.90 16.37 19.47 9.99 17.01 20.33 2 0 9.50-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU~A 68 6.70 17.42 19.66 6.98 17.78 18.77 4.55 16.63 20.70 3.87 16.63 21.72 5.48 17.80 20.38 4.69 18.90 19.64 2 0 12.56-999 ?-999 ?-999 ? OXT ACT A 134 mSER~A 69 4.52 15.63 19.83 5.19 15.70 19.08 4.23 13.24 20.47 3.58 12.23 20.76 3.56 14.52 20.00 2.75 14.27 18.73 2 0 11.95-999 ?-999 ?-999 ? OXT ACT A 134 mPHE.A 70 5.53 13.32 20.66 5.95 14.16 20.32 6.53 12.52 22.76 7.62 13.01 23.11 6.23 12.21 21.31 7.50 11.86 20.55 3 0 10.65-999 ?-999 ?-999 ? O ACT A 134 mHIS.A 71 5.53 12.25 23.59 4.79 11.71 23.20 6.73 12.16 25.77 7.19 12.76 26.73 5.57 12.75 24.96 4.25 12.52 25.66 3 0 14.22-999 ?-999 ?-999 ? O ACT A 134 mTHR.A 72 7.22 11.01 25.35 6.73 10.60 24.58 9.55 10.21 25.03 10.49 9.47 25.32 8.39 10.43 26.00 8.06 9.15 26.72 2 0 13.90-999 ?-999 ?-999 ? O ACT A 134 mGLY.A 73 9.46 10.93 23.91 8.62 11.46 23.85 10.49 9.79 21.88 9.65 8.91 21.88 10.49 10.94 22.88-999.99-999.99-999.99 1 0 10.39-999 ?-999 ?-999 ? CH3 ACT A 134 mILE^A 74 11.49 9.89 21.02 11.99 10.75 21.14 13.25 8.38 20.32 14.16 9.15 20.64 11.86 8.89 20.01 11.88 9.46 18.60 3 0 7.53-999 ?-999 ?-999 ? O ACT A 134 mGLN^A 75 13.36 7.06 20.29 12.49 6.61 20.11 15.20 5.91 19.13 14.46 5.50 18.20 14.63 6.34 20.48 14.45 5.10 21.34 2 0 9.06-999 ?-999 ?-999 ? O ACT A 134 mILE^A 76 16.52 5.97 19.05 16.94 6.43 19.83 17.68 4.00 18.33 18.54 3.80 19.20 17.26 5.39 17.93 18.46 6.28 17.47 3 0 8.68-999 ?-999 ?-999 ? CH3 ACT A 134 mSER^A 77 16.99 3.05 17.70 16.40 3.42 16.98 18.39 1.06 17.51 19.04 0.25 18.15 17.06 1.63 18.02 15.86 0.87 17.40 2 0 10.94-999 ?-999 ?-999 ? O ACT A 134 mSER^A 78 18.76 1.53 16.34 18.09 2.14 15.93 20.49 2.22 14.75 19.67 2.79 14.01 20.05 1.17 15.74 20.00 -0.18 15.03 2 0 12.23-999 ?-999 ?-999 ? O ACT A 134 mLEU^A 79 21.79 2.44 14.74 22.25 2.01 15.52 23.28 2.25 12.81 24.30 1.69 13.28 22.48 3.22 13.68 23.39 4.29 14.29 3 0 12.25-999 ?-999 ?-999 ? CH3 ACT A 134 mASP^A 80 22.81 2.04 11.58 22.19 2.75 11.25 24.31 1.15 9.80 25.18 0.33 9.58 23.20 0.86 10.80 21.99 0.20 10.14 2 0 14.49-999 ?-999 ?-999 ? CH3 ACT A 134 mARG^A 81 24.23 2.33 9.19 23.49 2.91 9.52 25.43 4.20 8.20 24.50 4.99 8.29 25.18 2.72 8.15 24.64 2.30 6.76 2 0 15.40-999 ?-999 ?-999 ? CH3 ACT A 134 mVAL^A 82 26.71 4.55 8.17 27.34 3.77 8.19 28.12 6.09 6.97 29.22 5.52 6.98 27.14 5.94 8.11 27.81 6.34 9.43 3 0 15.68-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR^A 83 27.72 6.88 5.99 26.83 7.31 6.14 28.88 8.55 4.65 28.17 9.40 5.15 28.55 7.09 4.80 27.81 6.60 3.52 2 0 17.88-999 ?-999 ?-999 ? CH3 ACT A 134 mSER^A 84 30.01 8.84 3.99 30.53 8.05 3.65 31.20 10.48 2.55 31.63 9.56 1.84 30.40 10.24 3.82 31.18 10.76 5.04 2 0 19.56-999 ?-999 ?-999 ? CH3 ACT A 134 mASN.A 85 31.37 11.76 2.33 30.80 12.31 2.93 33.01 13.51 1.89 33.11 13.63 3.11 32.31 12.28 1.30 31.62 12.53 -0.05 2 0 22.47-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU.A 86 33.51 14.40 1.04 33.33 14.22 0.07 33.42 16.48 2.43 33.94 17.13 3.33 34.27 15.56 1.55 34.89 16.38 0.43 2 0 24.45-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR.A 87 32.11 16.51 2.18 31.81 15.83 1.52 29.90 16.96 3.43 29.33 17.61 4.25 31.21 17.48 2.82 30.86 18.67 1.87 2 0 21.71-999 ?-999 ?-999 ? CH3 ACT A 134 mTHR^A 88 29.50 15.74 3.08 30.19 15.22 2.58 28.34 13.92 4.16 29.21 13.10 3.85 28.18 15.22 3.40 27.37 14.93 2.10 2 0 18.31-999 ?-999 ?-999 ? CH3 ACT A 134 mVAL^A 89 27.46 13.74 5.14 26.89 14.54 5.32 25.93 12.04 5.94 25.01 12.86 6.18 27.38 12.47 5.89 27.90 12.59 7.33 3 0 15.97-999 ?-999 ?-999 ? CH3 ACT A 134 mVAL^A 90 25.72 10.75 5.70 26.55 10.24 5.46 24.37 9.10 6.83 25.29 8.27 6.90 24.36 10.18 5.78 23.89 9.52 4.44 3 0 13.35-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE^A 91 23.35 9.19 7.66 22.77 9.97 7.45 21.79 7.50 8.38 20.74 8.08 8.25 23.06 8.27 8.74 22.83 9.07 10.03 3 0 11.14-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU^A 92 21.93 6.18 8.25 22.87 5.86 8.33 20.55 4.61 9.35 21.41 3.86 9.87 20.81 5.30 8.02 21.11 4.26 6.95 2 0 10.75-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE^A 93 19.35 4.85 9.85 18.75 5.36 9.24 17.53 3.85 11.31 16.70 3.99 10.41 18.97 4.38 11.20 19.29 5.44 12.27 3 0 9.02-999 ?-999 ?-999 ? CH3 ACT A 134 mARG^A 94 17.28 3.21 12.46 18.08 3.14 13.04 15.52 3.35 14.09 16.36 3.53 14.99 15.94 2.67 12.81 15.97 1.13 12.97 2 0 7.95-999 ?-999 ?-999 ? O ACT A 134 mASP^A 95 14.26 3.80 14.14 13.70 3.61 13.34 12.41 4.05 15.75 11.69 3.31 15.04 13.79 4.50 15.31 13.92 6.03 15.16 2 0 -5.97-999 ?-999 ?-999 ? O ACT A 134s mGLU^A 96 12.10 4.46 16.95 12.84 4.95 17.42 10.44 5.06 18.71 11.30 5.48 19.48 10.78 4.20 17.52 10.65 2.75 17.92 2 0 7.13-999 ?-999 ?-999 ? O ACT A 134 mGLY^A 97 9.14 5.30 18.81 8.62 4.92 18.04 7.04 6.09 19.89 6.43 5.75 18.89 8.55 6.05 19.94-999.99-999.99-999.99 1 0 8.59-999 ?-999 ?-999 ? O ACT A 134 mLEU^A 98 6.45 6.49 21.01 7.08 6.67 21.77 4.56 8.00 20.61 4.90 9.05 21.16 5.00 6.65 21.11 4.48 6.40 22.53 3 0 11.04-999 ?-999 ?-999 ? O ACT A 134 mPHE^A 99 3.72 7.91 19.59 3.57 6.98 19.27 1.69 9.12 19.59 0.82 8.36 19.22 3.08 9.06 18.98 3.03 8.89 17.45 3 0 10.57-999 ?-999 ?-999 ? O ACT A 134 mLEU.A 100 1.52 9.99 20.57 2.31 10.57 20.74 -0.18 8.65 21.71 -1.33 8.20 21.50 0.26 10.07 21.33 -0.85 10.80 20.55 3 0 14.27-999 ?-999 ?-999 ? O ACT A 134 mGLY.A 101 0.77 7.94 22.27 1.67 8.37 22.22 0.55 5.53 21.93 0.46 4.36 22.32 0.54 6.67 22.89-999.99-999.99-999.99 1 0 15.27-999 ?-999 ?-999 ? O ACT A 134 mLYS^A 102 0.69 5.88 20.66 0.85 6.86 20.54 2.02 4.59 19.03 2.82 5.49 18.84 0.63 4.90 19.56 -0.28 5.39 18.41 2 0 13.60-999 ?-999 ?-999 ? O ACT A 134 mPRO^A 103 2.31 3.31 18.79 1.54 2.68 18.92 4.01 3.30 16.96 3.43 2.86 15.97 3.64 2.88 18.38 3.58 1.35 18.51 3 0 11.64-999 ?-999 ?-999 ? O ACT A 134 mTYR^A 104 4.99 4.19 16.92 5.22 4.55 17.82 7.00 3.93 15.61 7.78 3.89 16.57 5.65 4.62 15.69 5.80 6.15 15.65 3 0 -8.04-999 ?-999 ?-999 ? O ACT A 134s mLYS^A 105 7.25 3.33 14.47 6.46 3.32 13.85 8.89 3.06 12.72 8.02 3.05 11.86 8.54 2.73 14.15 8.50 1.23 14.30 2 0 7.28-999 ?-999 ?-999 ? O ACT A 134 mASN^A 106 10.15 3.38 12.47 10.75 3.39 13.26 12.02 3.39 10.77 12.85 3.09 11.64 10.56 3.69 11.10 10.24 5.16 10.78 2 0 5.76-999 ?-999 ?-999 ? O ACT A 134 mARG^A 107 12.28 3.45 9.49 11.46 3.47 8.92 13.76 4.88 8.35 12.82 5.42 7.75 13.61 3.49 8.94 13.86 2.40 7.88 2 0 7.08-999 ?-999 ?-999 ? O ACT A 134 mVAL^A 108 14.91 5.47 8.61 15.56 4.90 9.10 16.59 6.99 7.73 17.51 6.36 8.20 15.18 6.85 8.22 14.96 7.83 9.40 3 0 6.16-999 ?-999 ?-999 ? O ACT A 134 mALA^A 109 16.75 7.88 6.76 15.91 8.18 6.31 18.05 9.88 6.56 17.21 10.56 6.02 18.06 8.37 6.41 18.44 7.98 4.99 2 0 8.55-999 ?-999 ?-999 ? CH3 ACT A 134 mVAL^A 110 19.02 10.33 7.32 19.55 9.60 7.76 20.66 12.05 6.86 21.64 11.31 7.01 19.31 11.75 7.52 19.32 12.12 9.03 3 0 8.23-999 ?-999 ?-999 ? CH3 ACT A 134 mSER^A 111 20.68 13.12 6.08 19.80 13.60 6.01 22.22 14.97 5.88 21.35 15.83 5.91 21.88 13.56 5.40 21.62 13.54 3.89 2 0 11.80-999 ?-999 ?-999 ? CH3 ACT A 134 mPHE^A 112 23.45 15.15 6.34 23.98 14.31 6.40 25.03 16.95 5.75 25.89 16.15 5.34 23.94 16.49 6.73 24.64 16.48 8.13 3 0 13.63-999 ?-999 ?-999 ? CH3 ACT A 134 mASP^A 113 25.08 18.25 5.47 24.23 18.75 5.64 27.00 19.58 6.08 26.36 20.23 6.91 26.30 18.88 4.94 26.00 19.90 3.85 2 0 17.31-999 ?-999 ?-999 ? CH3 ACT A 134 mVAL^A 114 28.32 19.48 6.06 28.66 18.91 5.31 29.97 21.29 6.44 30.52 21.20 5.33 29.19 20.15 7.05 30.17 19.15 7.68 3 0 19.42-999 ?-999 ?-999 ? CH3 ACT A 134 mARG^A 115 29.99 22.37 7.20 29.39 22.29 8.00 31.54 24.01 8.16 30.96 24.59 9.09 30.79 23.55 6.91 29.94 24.68 6.34 2 0 22.52-999 ?-999 ?-999 ? CH3 ACT A 134 mGLY.A 116 32.83 23.72 8.16 33.16 23.29 7.33 33.26 23.22 10.52 33.20 21.99 10.45 33.67 24.05 9.33-999.99-999.99-999.99 1 0 24.65-999 ?-999 ?-999 ? CH3 ACT A 134 mASP.A 117 32.93 23.91 11.59 32.93 24.90 11.45 31.08 23.18 12.99 30.55 22.86 14.05 32.59 23.26 12.86 33.24 23.97 14.06 2 0 23.07-999 ?-999 ?-999 ? CH3 ACT A 134 mLYS^A 118 30.42 23.44 11.87 31.00 23.63 11.09 28.32 22.60 10.67 28.99 22.15 9.75 28.94 23.42 11.82 28.41 24.86 11.77 2 0 20.20-999 ?-999 ?-999 ? CH3 ACT A 134 mILE^A 119 27.00 22.51 10.78 26.67 22.95 11.61 25.28 22.89 9.07 24.60 23.72 9.72 26.11 21.84 9.79 25.19 20.80 10.49 3 0 17.24-999 ?-999 ?-999 ? CH3 ACT A 134 mCYH^A 120 25.31 22.83 7.73 25.80 22.04 7.36 23.42 23.40 6.18 22.61 24.18 5.68 24.68 23.88 6.89 25.69 24.46 5.88 2 0 18.33-999 ?-999 ?-999 ? CH3 ACT A 134 mSER^A 121 23.20 22.09 6.17 23.93 21.52 6.56 21.62 20.19 6.09 22.49 19.46 6.56 21.93 21.60 5.62 21.95 21.63 4.10 2 0 15.59-999 ?-999 ?-999 ? CH3 ACT A 134 mTYR^A 122 20.35 19.86 5.93 19.84 20.56 5.42 18.70 18.16 5.43 17.92 18.93 4.93 19.74 18.64 6.42 19.11 18.99 7.78 3 0 12.00-999 ?-999 ?-999 ? CH3 ACT A 134 mARG^A 123 18.68 16.85 5.20 19.41 16.34 5.65 17.28 14.91 4.99 18.16 14.13 5.40 17.69 16.22 4.35 18.26 15.92 2.96 2 0 10.94-999 ?-999 ?-999 ? OXT ACT A 134 mGLU^A 124 15.97 14.75 5.10 15.45 15.53 4.76 14.56 12.75 4.65 13.78 13.27 3.84 15.34 13.56 5.67 14.46 13.92 6.88 2 0 -7.55-999 ?-999 ?-999 ? OXT ACT A 134s mTYR^A 125 14.80 11.43 4.72 15.46 11.19 5.43 13.53 9.31 4.68 14.12 8.87 5.67 14.15 10.44 3.84 15.17 9.81 2.88 3 0 8.18-999 ?-999 ?-999 ? OXT ACT A 134 mPHE^A 126 12.34 8.87 4.27 12.01 9.34 3.46 11.86 6.45 4.27 11.70 6.35 3.05 11.59 7.79 4.97 10.06 8.02 4.92 3 0 7.24-999 ?-999 ?-999 ? OXT ACT A 134 mGLY.A 127 12.19 5.41 5.06 12.18 5.63 6.03 11.54 2.99 4.87 11.69 1.87 4.41 12.52 4.09 4.54-999.99-999.99-999.99 1 0 9.53-999 ?-999 ?-999 ? O ACT A 134 mSER.A 128 10.55 3.30 5.71 10.62 4.21 6.11 8.12 3.11 6.08 7.97 4.24 5.59 9.47 2.37 6.00 9.77 1.59 7.28 2 0 9.64-999 ?-999 ?-999 ? O ACT A 134 mASP.A 129 7.19 2.50 6.79 7.56 1.75 7.33 5.28 3.43 8.13 4.09 3.64 8.34 5.77 2.90 6.79 4.86 1.75 6.36 2 0 10.22-999 ?-999 ?-999 ? O ACT A 134 mGLY.A 130 6.22 3.69 9.03 7.15 3.45 8.73 5.35 3.29 11.35 5.07 3.67 12.49 5.91 4.26 10.34-999.99-999.99-999.99 1 0 7.72-999 ?-999 ?-999 ? O ACT A 134 mLYS.A 131 5.20 2.04 10.90 5.52 1.94 9.96 5.63 -0.19 11.95 5.39 -1.11 12.73 4.63 0.92 11.69 3.44 0.28 10.93 2 0 10.76-999 ?-999 ?-999 ? O ACT A 134 mSER.A 132 6.77 -0.09 11.28 6.91 0.79 10.84 9.09 -0.70 10.79 9.22 0.35 10.14 7.72 -1.19 11.22 7.26 -2.22 10.20 2 0 11.12-999 ?-999 ?-999 ? O ACT A 134 mASN.A 133 10.10 -1.47 11.15 9.86 -2.25 11.72 12.41 -2.34 10.68 13.65 -2.21 10.64 11.46 -1.13 10.73 12.00 -0.05 11.64 2 0 10.50-999 ?-999 ?-999 ? O ACT A 134 mGLY.B 0 33.81 8.06 4.33 32.91 7.64 4.18 35.42 9.81 3.60 34.86 9.87 2.49 35.16 8.68 4.55-999.99-999.99-999.99 1 0 23.71-999 ?-999 ?-999 ? CH3 ACT A 134 mMETB 1 36.29 10.72 4.03 36.73 10.49 4.89 37.41 11.64 2.06 37.34 12.34 1.06 36.56 11.95 3.28 37.26 13.00 4.14 2 0 25.38-999 ?-999 ?-999 ? CH3 ACT A 134 mMETB 2 38.19 10.57 2.19 37.99 10.03 3.01 38.88 9.09 0.24 38.43 8.03 0.63 39.23 10.23 1.19 40.60 9.95 1.85 2 0 28.37-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR.B 3 39.18 9.31 -1.03 39.49 10.23 -1.24 40.30 8.13 -2.85 41.27 8.87 -2.68 39.05 8.24 -2.00 37.76 8.35 -2.86 2 0 27.03-999 ?-999 ?-999 ? CH3 ACT B 134 mHIS.B 4 40.26 7.14 -3.71 39.38 6.67 -3.74 40.95 5.79 -5.58 39.86 5.23 -5.49 41.42 6.77 -4.54 42.49 6.16 -3.64 3 0 -28.80-999 ?-999 ?-999 ? CH3 ACT B 134s mTYR.B 5 41.75 5.63 -6.62 42.63 6.10 -6.56 41.07 3.38 -7.23 40.36 2.59 -7.83 41.30 4.80 -7.74 42.26 4.85 -8.97 3 0 -28.44-999 ?-999 ?-999 ? CH3 ACT B 134s mSER.B 6 41.62 3.08 -6.06 42.08 3.85 -5.62 40.26 1.50 -4.65 40.09 0.47 -4.00 41.52 1.70 -5.49 42.76 1.39 -4.64 2 0 29.00-999 ?-999 ?-999 ? CH3 ACT B 134 mASP~B 7 39.41 2.51 -4.67 39.73 3.28 -5.22 37.09 1.65 -4.75 36.25 2.17 -5.50 38.12 2.49 -3.95 37.67 3.93 -3.68 2 0 25.74-999 ?-999 ?-999 ? CH3 ACT B 134 mASN~B 8 37.19 0.34 -4.59 37.91 0.07 -3.94 34.88 -0.43 -5.00 34.00 -0.64 -5.85 36.35 -0.62 -5.31 36.75 -2.07 -4.95 2 0 24.39-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR~B 9 34.62 -0.04 -3.76 35.44 0.11 -3.21 32.53 1.22 -4.11 31.46 0.98 -4.68 33.24 0.14 -3.28 33.20 0.40 -1.74 2 0 21.57-999 ?-999 ?-999 ? CH3 ACT B 134 mLEU~B 10 33.17 2.38 -4.21 34.00 2.40 -3.65 32.55 3.10 -6.52 31.54 3.34 -7.17 32.68 3.50 -5.06 33.56 4.76 -4.97 3 0 20.12-999 ?-999 ?-999 ? CH3 ACT B 134 mLYS~B 11 33.60 2.46 -7.04 34.34 2.29 -6.40 32.46 1.09 -8.79 31.66 1.32 -9.70 33.61 2.06 -8.46 34.96 1.45 -8.84 2 0 21.00-999 ?-999 ?-999 ? CH3 ACT B 134 mVAL~B 12 32.31 0.06 -7.98 32.94 0.03 -7.21 29.87 -0.30 -8.09 28.95 -0.52 -8.90 31.27 -0.94 -8.24 31.44 -2.18 -7.34 3 0 19.44-999 ?-999 ?-999 ? CH3 ACT B 134 mALA~B 13 29.73 0.55 -7.06 30.57 0.69 -6.54 28.02 2.12 -7.93 26.85 2.15 -8.39 28.43 1.20 -6.77 28.49 1.98 -5.45 2 0 16.16-999 ?-999 ?-999 ? CH3 ACT B 134 mHIS~B 14 29.01 2.84 -8.43 29.88 2.72 -7.96 28.36 2.93 -10.80 27.44 3.31 -11.52 28.78 3.73 -9.58 29.98 4.61 -9.89 3 0 16.06-999 ?-999 ?-999 ? CH3 ACT B 134 mGLN~B 15 28.99 1.78 -11.00 29.69 1.55 -10.32 27.17 0.48 -12.03 26.38 0.50 -12.97 28.61 0.95 -12.17 29.52 -0.25 -12.32 2 0 16.85-999 ?-999 ?-999 ? CH3 ACT B 134 mGLY~B 16 26.83 0.09 -10.81 27.60 0.07 -10.17 24.48 0.83 -10.65 23.39 0.61 -11.19 25.48 -0.27 -10.44-999.99-999.99-999.99 1 0 14.00-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE~B 17 24.85 2.04 -10.24 25.77 2.10 -9.86 23.70 3.52 -11.83 22.63 3.97 -12.20 23.94 3.17 -10.38 24.41 4.39 -9.60 3 0 11.51-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU~B 18 24.73 3.33 -12.66 25.58 3.10 -12.19 23.51 2.51 -14.66 22.60 2.90 -15.39 24.58 3.48 -14.13 25.89 3.22 -14.87 2 0 13.30-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE~B 19 23.59 1.25 -14.26 24.32 1.06 -13.59 21.27 0.45 -14.21 20.24 0.06 -14.82 22.66 0.24 -14.78 23.12 -1.21 -14.57 3 0 12.91-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE~B 20 21.25 1.08 -13.03 22.16 1.30 -12.69 19.26 2.54 -13.10 18.07 2.47 -13.40 19.99 1.42 -12.34 20.31 1.88 -10.90 3 0 9.17-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR~B 21 20.04 3.56 -13.40 20.95 3.47 -13.01 18.98 4.16 -15.55 17.86 4.54 -15.93 19.59 4.69 -14.25 20.76 5.66 -14.55 2 0 9.14-999 ?-999 ?-999 ? CH3 ACT B 134 mGLN~B 22 19.70 3.22 -16.15 20.52 2.95 -15.65 18.00 1.86 -17.29 17.09 1.97 -18.12 19.30 2.64 -17.45 20.40 1.73 -18.00 2 0 11.67-999 ?-999 ?-999 ? CH3 ACT B 134 mGLY~B 23 17.89 1.11 -16.19 18.70 1.09 -15.60 15.49 1.30 -15.75 14.41 1.07 -16.31 16.67 0.38 -15.90-999.99-999.99-999.99 1 0 10.01-999 ?-999 ?-999 ? CH3 ACT B 134 mLEU~B 24 15.70 2.39 -15.01 16.62 2.49 -14.62 14.18 3.96 -16.15 12.99 4.15 -16.41 14.63 3.35 -14.81 15.04 4.47 -13.88 3 0 7.23-999 ?-999 ?-999 ? CH3 ACT B 134 mALA~B 25 15.15 4.30 -17.01 16.06 4.01 -16.73 14.19 4.17 -19.31 13.37 4.63 -20.09 14.83 5.06 -18.24 16.09 5.75 -18.80 2 0 10.34-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR~B 26 14.55 2.90 -19.30 15.02 2.64 -18.45 13.43 0.74 -20.11 12.90 0.09 -21.00 14.26 1.98 -20.43 15.57 1.49 -21.10 2 0 12.87-999 ?-999 ?-999 ? CH3 ACT B 134 mGLY~B 27 13.32 0.43 -18.84 13.80 1.07 -18.23 13.36 -2.01 -18.54 12.85 -3.10 -18.29 12.59 -0.72 -18.35-999.99-999.99-999.99 1 0 11.93-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU.B 28 14.61 -1.88 -18.97 14.88 -0.94 -19.16 16.42 -3.18 -17.95 17.33 -2.38 -17.79 15.48 -3.04 -19.13 16.33 -2.90 -20.40 2 0 14.12-999 ?-999 ?-999 ? CH3 ACT B 134 mTRP~B 29 16.24 -4.25 -17.18 15.62 -4.93 -17.57 18.02 -5.41 -15.81 18.65 -5.57 -14.77 16.92 -4.36 -15.88 15.88 -4.61 -14.78 3 0 13.10-999 ?-999 ?-999 ? CH3 ACT B 134 mGLN~B 30 18.26 -6.12 -16.90 17.80 -5.81 -17.73 20.59 -6.92 -16.43 21.24 -7.64 -15.69 19.16 -7.28 -16.84 19.15 -8.07 -18.14 2 0 16.61-999 ?-999 ?-999 ? CH3 ACT B 134 mLYS~B 31 21.08 -5.80 -16.94 20.43 -5.28 -17.49 22.61 -5.12 -15.18 23.62 -5.48 -14.59 22.46 -5.38 -16.68 22.86 -4.13 -17.50 2 0 16.77-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE~B 32 21.57 -4.55 -14.58 20.81 -4.34 -15.19 21.53 -5.56 -12.34 22.26 -5.75 -11.38 21.59 -4.26 -13.13 20.44 -3.35 -12.70 3 0 13.93-999 ?-999 ?-999 ? CH3 ACT B 134 mLEU~B 33 20.65 -6.45 -12.77 20.18 -6.18 -13.61 21.69 -8.54 -12.05 22.00 -9.24 -11.10 20.42 -7.70 -12.05 19.26 -8.50 -12.67 3 0 15.60-999 ?-999 ?-999 ? CH3 ACT B 134 mASP~B 34 22.42 -8.43 -13.15 22.09 -7.73 -13.78 24.71 -8.88 -12.41 25.67 -9.61 -12.20 23.60 -9.27 -13.37 24.12 -9.16 -14.81 2 0 18.90-999 ?-999 ?-999 ? CH3 ACT B 134 mMETB 35 24.54 -7.72 -11.79 23.69 -7.25 -12.02 25.21 -7.52 -9.42 25.96 -7.16 -8.51 25.54 -7.21 -10.85 25.69 -5.71 -10.99 2 0 18.06-999 ?-999 ?-999 ? CH3 ACT B 134 mLEU^B 36 24.08 -8.19 -9.23 23.62 -8.45 -10.08 24.03 -9.87 -7.43 24.07 -10.83 -8.21 23.58 -8.48 -7.88 22.06 -8.36 -7.78 3 0 17.50-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR^B 37 24.38 -9.96 -6.16 24.36 -9.09 -5.67 23.52 -12.17 -5.47 22.36 -11.75 -5.51 24.74 -11.26 -5.58 25.35 -11.12 -4.18 2 0 20.58-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU^B 38 23.82 -13.45 -5.27 24.79 -13.64 -5.14 21.95 -14.31 -3.98 20.79 -14.69 -3.94 22.79 -14.48 -5.24 23.41 -15.89 -5.31 2 0 22.36-999 ?-999 ?-999 ? CH3 ACT B 134 mASP^B 39 22.57 -13.71 -2.97 23.50 -13.41 -3.21 21.47 -12.07 -1.50 21.28 -11.58 -0.39 21.95 -13.50 -1.64 22.87 -13.88 -0.47 2 0 21.90-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE^B 40 21.31 -11.41 -2.63 21.52 -11.97 -3.43 19.60 -9.80 -1.86 18.66 -10.60 -1.95 20.86 -9.98 -2.68 20.58 -9.59 -4.13 3 0 18.13-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR^B 41 19.56 -8.72 -1.08 20.43 -8.22 -1.01 18.03 -6.86 -0.70 18.91 -6.06 -1.02 18.35 -8.32 -0.39 18.43 -8.48 1.14 2 0 16.63-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE^B 42 16.75 -6.55 -0.63 16.14 -7.32 -0.49 15.23 -4.76 0.16 14.39 -5.56 0.52 16.36 -5.13 -0.77 16.04 -4.75 -2.20 3 0 13.15-999 ?-999 ?-999 ? O ACT B 134 mTRP^B 43 15.31 -3.51 0.60 16.08 -3.00 0.23 13.65 -1.78 0.82 14.32 -0.93 0.22 14.34 -2.95 1.52 15.04 -2.45 2.79 3 0 12.10-999 ?-999 ?-999 ? O ACT B 134 mPHE^B 44 12.33 -1.77 0.92 11.98 -2.49 1.51 10.36 -0.31 1.21 9.92 -1.05 2.04 11.47 -0.79 0.25 10.89 -1.40 -1.06 3 0 9.23-999 ?-999 ?-999 ? O ACT B 134 mPRO.B 45 9.94 0.97 1.13 10.22 1.50 0.32 7.72 1.03 2.32 7.22 1.00 3.42 9.13 1.49 2.20 9.13 3.00 1.95 3 0 9.79-999 ?-999 ?-999 ? O ACT B 134 mMETB 46 7.08 0.69 1.21 7.66 0.61 0.40 5.10 -0.43 0.16 5.77 -0.68 -0.82 5.61 0.48 1.25 4.88 1.84 1.19 2 0 10.71-999 ?-999 ?-999 ? O ACT B 134 mGLY.B 47 3.88 -0.88 0.37 3.49 -0.61 1.25 3.60 -3.12 -0.60 4.15 -3.60 0.38 3.16 -1.68 -0.61-999.99-999.99-999.99 1 0 12.14-999 ?-999 ?-999 ? O ACT B 134 mGLU.B 48 3.37 -3.76 -1.75 3.00 -3.15 -2.45 5.03 -5.56 -1.54 5.27 -6.66 -1.06 3.63 -5.19 -1.94 3.46 -5.58 -3.41 2 0 13.72-999 ?-999 ?-999 ? O ACT B 134 mPHE.B 49 5.96 -4.65 -1.85 5.57 -3.82 -2.25 7.89 -4.18 -0.33 9.09 -4.03 -0.09 7.39 -4.84 -1.62 8.23 -4.40 -2.85 3 0 11.93-999 ?-999 ?-999 ? O ACT B 134 mHIS.B 50 6.96 -3.78 0.53 6.02 -3.89 0.22 8.30 -4.18 2.57 8.10 -5.40 2.60 7.38 -3.24 1.83 6.18 -3.00 2.75 3 0 12.59-999 ?-999 ?-999 ? O ACT B 134 mGLY^B 51 9.24 -3.58 3.26 9.24 -2.59 3.15 11.31 -4.99 3.38 11.75 -4.59 2.30 10.20 -4.27 4.11-999.99-999.99-999.99 1 0 14.43-999 ?-999 ?-999 ? O ACT B 134 mLEU^B 52 11.72 -6.10 4.00 11.19 -6.33 4.82 12.41 -7.90 2.49 11.45 -8.66 2.68 12.86 -6.89 3.52 13.61 -7.59 4.66 3 0 16.00-999 ?-999 ?-999 ? O ACT B 134 mASN^B 53 13.12 -7.86 1.37 13.81 -7.15 1.37 14.17 -9.54 -0.03 15.23 -8.98 -0.05 12.90 -8.77 0.25 12.53 -7.97 -0.98 2 0 15.83-999 ?-999 ?-999 ? O ACT B 134 mVAL^B 54 14.03 -10.83 -0.32 13.08 -11.15 -0.39 15.29 -12.35 -1.87 14.34 -12.97 -2.37 15.19 -11.69 -0.50 15.23 -12.77 0.58 3 0 18.60-999 ?-999 ?-999 ? O ACT B 134 mGLY~B 55 16.45 -12.18 -2.46 17.05 -11.53 -1.99 16.58 -12.16 -5.01 15.83 -11.19 -5.09 16.83 -12.90 -3.70-999.99-999.99-999.99 1 0 19.19-999 ?-999 ?-999 ? CH3 ACT B 134 mLYS~B 56 17.26 -12.66 -6.04 17.75 -13.50 -5.84 15.96 -12.17 -8.15 15.60 -11.33 -8.96 17.26 -12.01 -7.36 18.48 -12.45 -8.19 2 0 17.93-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU~B 57 15.23 -13.24 -7.88 15.63 -13.86 -7.21 12.93 -12.37 -8.13 12.22 -11.75 -8.95 13.94 -13.43 -8.55 13.36 -14.79 -8.21 2 0 18.83-999 ?-999 ?-999 ? CH3 ACT B 134 mARG~B 58 12.89 -12.20 -6.83 13.48 -12.83 -6.33 12.51 -9.80 -6.65 11.71 -8.91 -6.90 12.04 -11.20 -6.19 12.10 -11.33 -4.67 2 0 16.62-999 ?-999 ?-999 ? O ACT B 134 mALA~B 59 13.81 -9.63 -6.78 14.36 -10.43 -6.52 13.81 -8.02 -8.68 13.34 -6.93 -8.98 14.34 -8.32 -7.28 15.87 -8.28 -7.26 2 0 13.78-999 ?-999 ?-999 ? CH3 ACT B 134 mLYS~B 60 13.86 -9.01 -9.55 14.24 -9.86 -9.18 11.92 -8.46 -10.92 11.45 -7.63 -11.69 13.39 -8.84 -10.92 13.62 -10.10 -11.76 2 0 14.49-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU~B 61 11.22 -9.08 -9.99 11.75 -9.70 -9.42 9.59 -7.39 -9.52 8.81 -6.70 -10.17 9.79 -8.86 -9.82 9.29 -9.70 -8.66 2 0 14.66-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE~B 62 10.36 -6.93 -8.56 11.01 -7.62 -8.22 10.56 -4.55 -9.16 9.75 -3.64 -9.46 10.28 -5.55 -8.05 11.24 -5.35 -6.86 3 0 11.06-999 ?-999 ?-999 ? O ACT B 134 mPHE~B 63 11.68 -4.76 -9.83 12.14 -5.62 -9.62 11.21 -3.70 -12.02 10.91 -2.63 -12.54 12.14 -3.76 -10.81 13.61 -4.01 -11.15 3 0 9.55-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR~B 64 10.67 -4.85 -12.39 11.00 -5.63 -11.86 8.44 -4.18 -13.11 7.87 -3.46 -13.93 9.69 -4.93 -13.48 9.32 -6.39 -13.81 2 0 12.04-999 ?-999 ?-999 ? CH3 ACT B 134 mTYR~B 65 8.10 -4.27 -11.84 8.76 -4.78 -11.27 7.05 -2.18 -11.31 6.13 -1.43 -11.63 6.88 -3.69 -11.31 6.55 -4.21 -9.91 3 0 11.05-999 ?-999 ?-999 ? O ACT B 134 mVAL~B 66 8.26 -1.76 -10.96 8.90 -2.48 -10.72 8.31 0.25 -12.32 7.73 1.32 -12.45 8.57 -0.33 -10.94 10.04 -0.05 -10.52 3 0 7.60-999 ?-999 ?-999 ? O ACT B 134 mSER~B 67 8.76 -0.45 -13.34 9.06 -1.38 -13.10 7.48 -0.04 -15.39 7.20 0.61 -16.38 8.81 0.10 -14.70 9.86 -0.60 -15.56 2 0 9.37-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU~B 68 6.63 -0.87 -14.79 6.90 -1.14 -13.87 4.45 -0.18 -15.80 3.71 -0.23 -16.78 5.40 -1.32 -15.46 4.67 -2.38 -14.61 2 0 12.44-999 ?-999 ?-999 ? CH3 ACT B 134 mSER~B 69 4.47 0.87 -14.98 5.17 0.80 -14.26 4.18 3.26 -15.64 3.53 4.29 -15.86 3.52 1.99 -15.15 2.73 2.27 -13.87 2 0 11.88-999 ?-999 ?-999 ? O ACT B 134 mPHE.B 70 5.48 3.19 -15.85 5.92 2.34 -15.55 6.45 3.97 -17.93 7.51 3.45 -18.29 6.17 4.31 -16.48 7.44 4.66 -15.70 3 0 10.64-999 ?-999 ?-999 ? OXT ACT B 134 mHIS.B 71 5.45 4.26 -18.75 4.70 4.80 -18.35 6.61 4.38 -20.96 7.00 3.81 -21.98 5.47 3.80 -20.14 4.13 4.03 -20.82 3 0 14.21-999 ?-999 ?-999 ? OXT ACT B 134 mTHR.B 72 7.17 5.49 -20.50 6.74 5.90 -19.69 9.49 6.26 -20.18 10.37 7.08 -20.40 8.34 6.03 -21.17 8.04 7.30 -21.90 2 0 13.85-999 ?-999 ?-999 ? CH3 ACT B 134 mGLY.B 73 9.43 5.52 -19.08 8.61 4.94 -19.04 10.44 6.68 -17.06 9.63 7.63 -17.09 10.45 5.54 -18.05-999.99-999.99-999.99 1 0 10.25-999 ?-999 ?-999 ? CH3 ACT B 134 mILE^B 74 11.43 6.56 -16.18 11.93 5.70 -16.29 13.16 8.09 -15.49 14.05 7.32 -15.82 11.77 7.56 -15.16 11.77 6.95 -13.74 3 0 7.49-999 ?-999 ?-999 ? CH3 ACT B 134 mGLN^B 75 13.29 9.40 -15.43 12.42 9.86 -15.24 15.13 10.53 -14.25 14.40 10.96 -13.35 14.57 10.11 -15.61 14.40 11.38 -16.45 2 0 9.01-999 ?-999 ?-999 ? OXT ACT B 134 mILE^B 76 16.44 10.43 -14.16 16.85 9.91 -14.91 17.56 12.44 -13.46 18.40 12.66 -14.33 17.21 11.03 -13.07 18.51 10.23 -12.72 3 0 8.70-999 ?-999 ?-999 ? CH3 ACT B 134 mSER^B 77 16.86 13.38 -12.84 16.23 13.01 -12.16 18.37 15.36 -12.62 19.02 16.20 -13.27 17.02 14.81 -13.13 15.85 15.60 -12.52 2 0 10.90-999 ?-999 ?-999 ? OXT ACT B 134 mSER^B 78 18.76 14.88 -11.46 18.11 14.23 -11.06 20.48 14.17 -9.86 19.68 13.57 -9.14 20.02 15.26 -10.83 19.91 16.62 -10.13 2 0 12.20-999 ?-999 ?-999 ? OXT ACT B 134 mLEU^B 79 21.77 13.95 -9.86 22.26 14.40 -10.62 23.26 14.09 -8.03 24.28 14.64 -8.49 22.43 13.14 -8.86 23.30 12.06 -9.51 3 0 12.35-999 ?-999 ?-999 ? CH3 ACT B 134 mASP^B 80 22.79 14.32 -6.81 22.14 13.64 -6.48 24.27 15.21 -5.00 25.17 16.01 -4.81 23.19 15.48 -6.04 21.98 16.13 -5.41 2 0 14.50-999 ?-999 ?-999 ? OXT ACT B 134 mARG^B 81 24.20 14.04 -4.36 23.42 13.47 -4.63 25.43 12.18 -3.38 24.48 11.41 -3.44 25.18 13.66 -3.34 24.67 14.03 -1.96 2 0 15.58-999 ?-999 ?-999 ? CH3 ACT B 134 mVAL^B 82 26.69 11.81 -3.35 27.32 12.58 -3.37 28.08 10.25 -2.14 29.17 10.87 -2.15 27.10 10.36 -3.30 27.82 9.91 -4.58 3 0 15.82-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR^B 83 27.71 9.44 -1.16 26.82 9.00 -1.30 28.88 7.78 0.16 28.18 6.92 -0.36 28.55 9.24 0.02 27.82 9.72 1.33 2 0 18.07-999 ?-999 ?-999 ? CH3 ACT B 134 mSER^B 84 29.99 7.49 0.84 30.50 8.27 1.19 31.19 5.80 2.26 31.60 6.68 2.98 30.37 6.08 1.00 31.11 5.59 -0.24 2 0 19.73-999 ?-999 ?-999 ? CH3 ACT B 134 mASN.B 85 31.39 4.53 2.48 30.82 3.95 1.88 33.00 2.77 2.89 33.10 2.63 1.66 32.33 4.02 3.48 31.66 3.78 4.83 2 0 22.52-999 ?-999 ?-999 ? CH3 ACT A 134 mGLU.B 86 33.46 1.88 3.75 33.25 2.07 4.71 33.35 -0.19 2.34 33.87 -0.83 1.42 34.20 0.70 3.25 34.75 -0.12 4.41 2 0 24.60-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR.B 87 32.04 -0.23 2.60 31.73 0.47 3.24 29.85 -0.68 1.41 29.26 -1.34 0.59 31.16 -1.20 2.01 30.85 -2.30 3.05 2 0 21.90-999 ?-999 ?-999 ? CH3 ACT B 134 mTHR^B 88 29.45 0.52 1.80 30.12 1.00 2.37 28.34 2.41 0.69 29.27 3.20 0.95 28.17 1.09 1.44 27.32 1.32 2.73 2 0 18.52-999 ?-999 ?-999 ? CH3 ACT B 134 mVAL^B 89 27.44 2.61 -0.27 26.85 1.81 -0.45 25.90 4.34 -1.05 24.99 3.55 -1.32 27.34 3.88 -1.00 27.89 3.74 -2.46 3 0 16.18-999 ?-999 ?-999 ? CH3 ACT B 134 mVAL^B 90 25.69 5.64 -0.79 26.51 6.15 -0.52 24.37 7.27 -2.01 25.27 8.10 -2.09 24.36 6.22 -0.91 23.86 6.86 0.42 3 0 13.57-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE^B 91 23.34 7.16 -2.85 22.78 6.35 -2.68 21.79 8.87 -3.54 20.75 8.28 -3.40 23.05 8.10 -3.91 22.82 7.33 -5.20 3 0 11.34-999 ?-999 ?-999 ? CH3 ACT B 134 mGLU^B 92 21.93 10.20 -3.44 22.86 10.54 -3.53 20.54 11.76 -4.54 21.41 12.47 -5.08 20.80 11.07 -3.21 21.10 12.13 -2.14 2 0 10.92-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE^B 93 19.33 11.54 -5.05 18.70 11.04 -4.46 17.53 12.53 -6.48 16.71 12.36 -5.57 18.99 12.02 -6.37 19.32 10.95 -7.43 3 0 9.08-999 ?-999 ?-999 ? OXT ACT B 134 mARG^B 94 17.28 13.21 -7.60 18.10 13.35 -8.15 15.52 13.01 -9.25 16.35 12.84 -10.17 15.94 13.70 -7.98 15.92 15.24 -8.14 2 0 7.91-999 ?-999 ?-999 ? OXT ACT B 134 mASP^B 95 14.25 12.59 -9.31 13.71 12.78 -8.49 12.34 12.39 -10.91 11.63 13.14 -10.20 13.73 11.90 -10.48 13.83 10.37 -10.37 2 0 -5.93-999 ?-999 ?-999 ? OXT ACT B 134s mGLU^B 96 12.00 11.96 -12.10 12.71 11.40 -12.54 10.35 11.47 -13.89 11.21 11.06 -14.67 10.70 12.31 -12.70 10.67 13.77 -13.12 2 0 7.17-999 ?-999 ?-999 ? OXT ACT B 134 mGLY^B 97 9.06 11.20 -13.97 8.52 11.60 -13.23 6.98 10.36 -15.03 6.36 10.69 -14.03 8.48 10.40 -15.07-999.99-999.99-999.99 1 0 8.55-999 ?-999 ?-999 ? OXT ACT B 134 mLEU^B 98 6.39 9.97 -16.16 7.02 9.77 -16.91 4.44 8.53 -15.74 4.78 7.48 -16.28 4.92 9.86 -16.23 4.41 10.12 -17.65 3 0 11.04-999 ?-999 ?-999 ? OXT ACT B 134 mPHE^B 99 3.64 8.61 -14.69 3.53 9.55 -14.35 1.62 7.33 -14.75 0.70 8.07 -14.42 3.00 7.45 -14.10 2.88 7.67 -12.57 3 0 10.57-999 ?-999 ?-999 ? OXT ACT B 134 mLEU.B 100 1.50 6.45 -15.73 2.31 5.87 -15.87 -0.16 7.78 -16.91 -1.32 8.21 -16.74 0.25 6.38 -16.51 -0.88 5.69 -15.73 3 0 14.23-999 ?-999 ?-999 ? OXT ACT B 134 mGLY.B 101 0.82 8.48 -17.45 1.70 8.01 -17.42 0.57 10.94 -17.08 0.42 12.10 -17.48 0.63 9.79 -18.05-999.99-999.99-999.99 1 0 15.16-999 ?-999 ?-999 ? OXT ACT B 134 mLYS^B 102 0.66 10.63 -15.80 0.76 9.65 -15.62 1.99 11.93 -14.15 2.78 11.00 -13.94 0.61 11.65 -14.75 -0.43 11.28 -13.68 2 0 13.63-999 ?-999 ?-999 ? OXT ACT B 134 mPRO^B 103 2.29 13.22 -13.92 1.53 13.86 -14.02 4.00 13.18 -12.13 3.40 13.60 -11.13 3.63 13.62 -13.54 3.61 15.16 -13.64 3 0 11.63-999 ?-999 ?-999 ? OXT ACT B 134 mTYR^B 104 4.97 12.29 -12.09 5.22 11.95 -13.00 6.97 12.49 -10.77 7.76 12.48 -11.72 5.60 11.85 -10.86 5.74 10.33 -10.85 3 0 -8.06-999 ?-999 ?-999 ? OXT ACT B 134s mLYS^B 105 7.20 13.13 -9.65 6.39 13.19 -9.06 8.89 13.35 -7.88 8.06 13.44 -6.98 8.51 13.68 -9.31 8.48 15.20 -9.43 2 0 7.24-999 ?-999 ?-999 ? OXT ACT B 134 mASN^B 106 10.16 13.05 -7.63 10.78 13.05 -8.42 12.01 13.05 -5.94 12.81 13.36 -6.83 10.55 12.75 -6.24 10.24 11.30 -5.95 2 0 5.77-999 ?-999 ?-999 ? OXT ACT B 134 mARG^B 107 12.30 13.02 -4.65 11.49 13.04 -4.07 13.79 11.58 -3.51 12.87 11.06 -2.88 13.65 12.96 -4.10 13.90 14.02 -3.02 2 0 7.13-999 ?-999 ?-999 ? OXT ACT B 134 mVAL^B 108 14.91 10.96 -3.81 15.55 11.53 -4.32 16.57 9.39 -2.90 17.49 9.98 -3.40 15.16 9.57 -3.41 14.91 8.62 -4.58 3 0 6.16-999 ?-999 ?-999 ? OXT ACT B 134 mALA^B 109 16.72 8.49 -1.92 15.87 8.20 -1.49 18.04 6.48 -1.71 17.16 5.82 -1.19 18.06 8.00 -1.55 18.47 8.38 -0.11 2 0 8.76-999 ?-999 ?-999 ? CH3 ACT B 134 mVAL^B 110 18.98 6.00 -2.51 19.48 6.71 -3.00 20.62 4.28 -2.07 21.62 4.95 -2.36 19.24 4.57 -2.66 19.19 4.14 -4.13 3 0 8.40-999 ?-999 ?-999 ? CH3 ACT B 134 mSER^B 111 20.65 3.27 -1.22 19.75 2.85 -1.07 22.16 1.40 -1.02 21.29 0.54 -1.03 21.84 2.81 -0.55 21.65 2.86 0.96 2 0 12.00-999 ?-999 ?-999 ? CH3 ACT B 134 mPHE^B 112 23.40 1.23 -1.47 23.92 2.08 -1.47 25.04 -0.56 -0.97 25.90 0.21 -0.56 23.93 -0.07 -1.92 24.64 0.02 -3.29 3 0 13.78-999 ?-999 ?-999 ? CH3 ACT B 134 mASP^B 113 25.06 -1.85 -0.69 24.19 -2.32 -0.87 26.94 -3.26 -1.28 26.29 -3.94 -2.10 26.27 -2.50 -0.17 25.97 -3.50 0.94 2 0 17.43-999 ?-999 ?-999 ? CH3 ACT B 134 mVAL^B 114 28.26 -3.19 -1.25 28.62 -2.65 -0.48 29.86 -5.01 -1.64 30.41 -4.95 -0.53 29.10 -3.84 -2.24 30.10 -2.85 -2.86 3 0 19.55-999 ?-999 ?-999 ? CH3 ACT B 134 mARG^B 115 29.89 -6.09 -2.41 29.29 -6.02 -3.21 31.47 -7.68 -3.36 30.90 -8.18 -4.32 30.71 -7.25 -2.11 29.88 -8.41 -1.58 2 0 22.65-999 ?-999 ?-999 ? CH3 ACT B 134 mGLY.B 116 32.76 -7.40 -3.33 33.07 -7.01 -2.46 33.22 -6.86 -5.65 33.21 -5.63 -5.61 33.65 -7.66 -4.45-999.99-999.99-999.99 1 0 24.79-999 ?-999 ?-999 ? CH3 ACT B 134 mASP.B 117 32.85 -7.57 -6.70 32.83 -8.55 -6.56 31.00 -6.82 -8.16 30.50 -6.57 -9.26 32.51 -6.89 -7.97 33.19 -7.58 -9.17 2 0 23.15-999 ?-999 ?-999 ? CH3 ACT B 134 mLYS^B 118 30.27 -7.01 -7.06 30.82 -7.15 -6.24 28.16 -6.27 -5.92 28.82 -5.87 -4.97 28.80 -7.02 -7.08 28.26 -8.45 -7.09 2 0 20.20-999 ?-999 ?-999 ? CH3 ACT B 134 mILE^B 119 26.85 -6.13 -6.03 26.50 -6.53 -6.88 25.18 -6.51 -4.30 24.52 -7.34 -4.95 26.01 -5.46 -5.01 25.12 -4.36 -5.68 3 0 17.30-999 ?-999 ?-999 ? CH3 ACT B 134 mCYH^B 120 25.22 -6.48 -2.96 25.70 -5.69 -2.57 23.37 -7.07 -1.40 22.59 -7.89 -0.91 24.60 -7.54 -2.15 25.59 -8.18 -1.18 2 0 18.41-999 ?-999 ?-999 ? CH3 ACT B 134 mSER^B 121 23.15 -5.75 -1.37 23.87 -5.19 -1.79 21.59 -3.82 -1.27 22.44 -3.10 -1.75 21.94 -5.22 -0.75 22.03 -5.24 0.77 2 0 15.75-999 ?-999 ?-999 ? CH3 ACT B 134 mTYR^B 122 20.31 -3.51 -1.14 19.79 -4.23 -0.70 18.70 -1.78 -0.59 17.92 -2.58 -0.10 19.73 -2.24 -1.60 19.08 -2.52 -2.95 3 0 12.13-999 ?-999 ?-999 ? CH3 ACT B 134 mARG^B 123 18.69 -0.47 -0.35 19.42 0.05 -0.80 17.26 1.48 -0.15 18.11 2.27 -0.54 17.69 0.16 0.49 18.26 0.46 1.88 2 0 11.04-999 ?-999 ?-999 ? O ACT B 134 mGLU^B 124 15.96 1.64 -0.29 15.42 0.85 0.03 14.62 3.66 0.19 13.89 3.13 1.03 15.38 2.87 -0.85 14.45 2.56 -2.03 2 0 -7.63-999 ?-999 ?-999 ? O ACT B 134s mTYR^B 125 14.84 4.97 0.11 15.49 5.22 -0.61 13.53 7.07 0.15 14.12 7.50 -0.84 14.17 5.94 0.99 15.18 6.55 1.95 3 0 8.22-999 ?-999 ?-999 ? O ACT B 134 mPHE^B 126 12.35 7.51 0.58 12.04 7.02 1.39 11.85 9.95 0.60 11.73 10.04 1.82 11.58 8.60 -0.08 10.06 8.36 0.04 3 0 7.28-999 ?-999 ?-999 ? O ACT B 134 mGLY.B 127 12.15 10.98 -0.20 12.13 10.75 -1.18 11.56 13.42 -0.04 11.70 14.55 0.44 12.50 12.31 0.32-999.99-999.99-999.99 1 0 9.55-999 ?-999 ?-999 ? OXT ACT B 134 mSER.B 128 10.59 13.10 -0.90 10.68 12.19 -1.31 8.14 13.28 -1.30 7.96 12.18 -0.78 9.49 14.01 -1.20 9.78 14.83 -2.47 2 0 9.57-999 ?-999 ?-999 ? OXT ACT B 134 mASP.B 129 7.21 13.91 -2.01 7.57 14.67 -2.55 5.30 12.92 -3.30 4.10 12.68 -3.48 5.79 13.49 -1.99 4.87 14.63 -1.58 2 0 10.15-999 ?-999 ?-999 ? OXT ACT B 134 mGLY.B 130 6.24 12.68 -4.21 7.16 12.90 -3.89 5.32 13.12 -6.54 5.03 12.76 -7.68 5.91 12.14 -5.55-999.99-999.99-999.99 1 0 7.66-999 ?-999 ?-999 ? OXT ACT B 134 mLYS.B 131 5.15 14.35 -6.07 5.48 14.46 -5.14 5.57 16.57 -7.11 5.37 17.50 -7.92 4.55 15.45 -6.86 3.36 16.06 -6.09 2 0 10.73-999 ?-999 ?-999 ? OXT ACT B 134 mSER.B 132 6.70 16.46 -6.42 6.80 15.59 -5.93 9.05 17.04 -5.94 9.18 16.00 -5.29 7.68 17.54 -6.39 7.23 18.62 -5.40 2 0 11.03-999 ?-999 ?-999 ? OXT ACT B 134 mASN.B 133 10.07 17.79 -6.32 9.81 18.56 -6.91 12.38 18.71 -5.83 11.93 19.87 -5.83 11.43 17.50 -5.91 12.00 16.42 -6.80 2 0 10.43-999 ?-999 ?-999 ? OXT ACT B 134