HEADER UNKNOWN FUNCTION 09-NOV-07 3BB9 COMPND PUTATIVE ORPHAN PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; SOURCE 3 ORGANISM_TAXID: 318167; SOURCE 4 STRAIN: NCIMB 400; SOURCE 5 GENE: YP_750657.1, SFRI_1973; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 44 8 HET MSE A 78 8 HET MSE A 82 8 HET MSE A 124 8 HET MSE A 126 8 HET MSE B 44 8 HET MSE B 78 8 HET MSE B 82 8 HET MSE B 124 8 HET MSE B 126 8 HET MSE C 44 8 HET MSE C 78 8 HET MSE C 82 8 HET MSE C 124 8 HET MSE C 126 8 HET MSE D 44 16 HET MSE D 78 8 HET MSE D 82 8 HET MSE D 124 8 HET MSE D 126 8 HET MSE E 44 16 HET MSE E 78 8 HET MSE E 82 8 HET MSE E 124 8 HET MSE E 126 8 HET MSE F 44 8 HET MSE F 78 8 HET MSE F 82 8 HET MSE F 124 8 HET MSE F 126 8 HET EDO A 148 4 HET EDO B 148 4 HET EDO B 149 4 HET EDO B 150 4 HET EDO C 148 4 HET EDO C 149 4 HET EDO C 150 4 HET EDO C 151 4 HET EDO D 148 4 HET EDO F 148 4 SITE 1 AC1 5 GLU A 62 SER A 147 HOH A 164 HOH A 212 SITE 1 AC2 6 THR B 71 ASN B 75 ILE D 25 GLY D 26 SITE 1 AC3 6 HIS C 39 GLN C 43 GLU C 127 TRP C 146 SITE 1 AC4 5 HIS F 39 LEU F 42 GLN F 43 GLU F 127 SITE 1 AC5 4 GLU B 62 ASP B 81 TRP B 146 LYS E 117 SITE 1 AC6 6 THR C 100 GLY C 101 ASP C 102 HOH C 162 SITE 1 AC7 5 SER C 108 ILE C 109 SER C 110 THR C 125 SITE 1 AC8 5 HIS B 39 GLN B 43 GLU B 127 TRP B 146 SITE 1 AC9 5 ALA A 23 ARG B 68 ASP C 102 GLN C 134 SITE 1 BC1 6 GLN D 96 ILE D 97 THR D 98 ILE D 105 mALA.A 23 -0.95 106.68 12.38 -1.09 107.25 11.57 -1.35 104.42 13.43 -0.94 103.56 14.16 -0.76 105.82 13.59 -1.25 106.47 14.83 2 0 -19.86-999 ?-999 ?-999 ? O1 EDO A 148s mPHE^A 24 -2.30 104.19 12.53 -2.91 104.96 12.36 -2.11 102.91 10.40 -2.92 103.25 9.64 -2.41 102.89 11.88 -3.74 102.19 12.12 3 0 19.71-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 25 -0.92 102.47 10.05 -0.42 102.07 10.82 0.11 101.18 8.27 0.78 100.48 9.05 -0.37 102.53 8.70 0.88 103.48 8.60 3 0 21.48-999 ?-999 ?-999 ? O1 EDO A 148 mGLY.A 26 -0.24 100.79 7.05 -0.86 101.42 6.58 -0.25 98.22 7.03 0.28 97.16 6.70 0.27 99.54 6.45-999.99-999.99-999.99 1 0 22.05-999 ?-999 ?-999 ? O1 EDO A 148 mVAL.A 27 -1.30 98.27 7.86 -1.72 99.17 7.91 -2.56 96.06 7.75 -2.74 94.89 8.14 -1.76 97.08 8.60 -2.61 97.52 9.83 3 0 19.83-999 ?-999 ?-999 ? O1 EDO A 148 mASP.A 28 -3.05 96.51 6.60 -2.84 97.47 6.42 -2.94 95.01 4.58 -3.45 94.39 3.65 -3.81 95.64 5.69 -5.00 96.43 5.10 2 0 22.88-999 ?-999 ?-999 ? O1 EDO A 148 mSER~A 29 -1.63 95.13 4.72 -1.33 95.65 5.51 -0.65 93.03 4.02 -1.21 92.51 5.01 -0.72 94.53 3.77 0.68 95.14 3.92 2 0 23.64-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 30 -0.01 92.34 3.08 0.29 92.89 2.30 1.01 90.62 4.45 0.72 89.69 5.18 0.23 90.91 3.18 1.00 90.43 1.97 2 0 23.90-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 31 2.02 91.44 4.74 2.18 92.17 4.07 1.95 91.52 7.22 2.04 90.81 8.22 2.80 91.24 5.97 4.08 92.11 5.94 2 0 20.78-999 ?-999 ?-999 ? O1 EDO A 148 mGLY~A 32 1.09 92.52 7.10 1.15 92.99 6.22 -0.80 91.82 8.45 -1.14 91.64 9.60 0.15 92.92 8.11-999.99-999.99-999.99 1 0 19.10-999 ?-999 ?-999 ? O1 EDO A 148 mASN~A 33 -1.22 91.04 7.46 -0.89 91.31 6.55 -1.39 88.80 8.52 -2.04 88.09 9.24 -2.08 89.90 7.72 -2.63 89.31 6.42 2 0 20.15-999 ?-999 ?-999 ? O1 EDO A 148 mVAL~A 34 -0.10 88.60 8.33 0.32 89.18 7.63 0.72 88.13 10.55 0.57 87.38 11.51 0.63 87.59 9.11 2.02 87.26 8.47 3 0 18.47-999 ?-999 ?-999 ? O1 EDO A 148 mVAL~A 35 0.96 89.43 10.70 1.05 89.93 9.84 -0.29 89.85 12.76 -0.32 89.45 13.93 1.06 90.04 12.03 1.50 91.52 11.96 3 0 15.14-999 ?-999 ?-999 ? O1 EDO A 148 mLYS~A 36 -1.39 90.10 12.05 -1.20 90.40 11.12 -3.06 88.53 13.05 -3.52 88.30 14.18 -2.75 89.96 12.60 -3.79 90.45 11.59 2 0 15.93-999 ?-999 ?-999 ? O1 EDO A 148 mGLN~A 37 -2.81 87.56 12.17 -2.55 87.90 11.26 -2.06 85.68 13.68 -2.45 84.80 14.43 -2.92 86.13 12.51 -2.50 85.25 11.34 2 0 16.97-999 ?-999 ?-999 ? O1 EDO A 148 mPHE~A 38 -0.87 86.25 13.80 -0.67 86.94 13.09 -0.51 86.36 16.21 -0.56 85.62 17.21 0.06 85.89 14.87 1.41 86.57 14.59 3 0 13.93-999 ?-999 ?-999 ? O1 EDO A 148 mHIS~A 39 -0.88 87.64 16.23 -0.69 88.13 15.38 -2.75 87.44 17.78 -2.89 87.02 18.91 -1.51 88.25 17.40 -1.95 89.68 17.12 3 0 11.61-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 40 -3.65 87.23 16.82 -3.41 87.57 15.91 -4.63 85.11 17.65 -5.26 84.65 18.59 -4.90 86.54 17.14 -5.84 86.54 15.93 2 0 14.39-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 41 -3.67 84.43 17.02 -3.21 84.95 16.29 -2.71 82.93 18.78 -3.01 81.98 19.49 -3.32 83.06 17.37 -2.37 82.45 16.29 2 0 14.98-999 ?-999 ?-999 ? O1 EDO A 148 mLEU~A 42 -1.85 83.85 19.18 -1.57 84.50 18.48 -2.54 84.11 21.55 -2.68 83.40 22.57 -1.38 83.87 20.56 -0.33 84.96 20.73 3 0 11.62-999 ?-999 ?-999 ? O1 EDO A 148 mGLN~A 43 -3.39 85.09 21.23 -3.20 85.52 20.34 -5.55 84.38 22.19 -6.26 84.29 23.18 -4.49 85.48 22.12 -5.08 86.87 21.71 2 0 11.89-999 ?-999 ?-999 ? O1 EDO A 148 mMETA 44 -5.61 83.52 21.17 -4.93 83.67 20.46 -6.09 81.07 21.43 -6.87 80.13 21.54 -6.62 82.45 21.14 -7.30 82.42 19.77 2 0 15.55-999 ?-999 ?-999 ? O1 EDO A 148 mGLY~A 45 -4.78 80.93 21.56 -4.25 81.77 21.46 -4.11 78.75 20.59 -4.22 77.55 20.71 -4.19 79.65 21.81-999.99-999.99-999.99 1 0 15.72-999 ?-999 ?-999 ? O1 EDO A 148 mASN~A 46 -3.86 79.31 19.41 -3.76 80.30 19.41 -2.26 78.21 17.83 -1.63 79.02 17.17 -3.74 78.45 18.21 -4.61 79.02 17.06 2 0 17.84-999 ?-999 ?-999 ? O1 EDO A 148 mGLU~A 47 -1.72 77.08 18.25 -2.36 76.47 18.71 0.07 76.57 16.58 1.16 76.96 16.17 -0.29 76.77 18.05 0.11 75.53 18.84 2 0 18.00-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 48 -0.84 75.96 15.81 -1.69 75.68 16.27 -0.34 77.05 13.70 0.57 77.16 12.88 -0.60 75.73 14.41 -1.77 75.04 13.79 2 0 20.87-999 ?-999 ?-999 ? O1 EDO A 148 mILE~A 49 -1.16 78.05 13.99 -1.85 77.85 14.69 0.25 80.04 13.81 1.02 80.53 13.00 -1.02 79.34 13.31 -2.30 80.22 13.41 3 0 19.10-999 ?-999 ?-999 ? O1 EDO A 148 mVAL~A 50 0.48 80.09 15.12 -0.24 79.68 15.68 2.94 80.06 14.92 3.78 80.77 14.38 1.72 80.71 15.63 1.85 80.65 17.17 3 0 15.92-999 ?-999 ?-999 ? O1 EDO A 148 mARG~A 51 2.96 78.74 14.81 2.16 78.28 15.20 4.25 78.36 12.67 5.38 78.38 12.17 4.08 78.03 14.17 3.95 76.50 14.37 2 0 18.63-999 ?-999 ?-999 ? O1 EDO A 148 mGLN~A 52 3.16 78.65 11.97 2.30 78.63 12.49 3.67 80.44 10.34 4.12 80.81 9.26 3.27 78.99 10.55 1.95 78.70 9.77 2 0 20.66-999 ?-999 ?-999 ? O1 EDO A 148 mSER~A 53 3.51 81.25 11.37 3.15 80.79 12.18 5.27 83.00 11.60 5.77 84.02 11.14 3.81 82.68 11.33 2.96 83.39 12.38 2 0 17.88-999 ?-999 ?-999 ? O1 EDO A 148 mLEU^A 54 5.94 82.12 12.33 5.42 81.31 12.59 8.32 81.54 11.84 8.08 80.39 11.49 7.34 82.35 12.70 7.53 82.04 14.20 3 0 17.13-999 ?-999 ?-999 ? O1 EDO A 148 mALA^A 55 9.41 82.17 11.44 9.42 83.15 11.63 11.09 80.41 11.75 11.04 80.57 12.96 10.49 81.46 10.79 11.59 82.49 10.30 2 0 19.90-999 ?-999 ?-999 ? O1 EDO A 148 mALA^A 56 11.68 79.34 11.19 11.64 79.35 10.19 13.39 78.77 12.93 13.64 78.20 14.00 12.32 78.27 11.97 12.95 77.27 11.01 2 0 21.49-999 ?-999 ?-999 ? O1 EDO A 148 mASN^A 57 14.07 79.81 12.49 13.76 80.17 11.61 14.86 81.76 13.77 15.74 82.63 13.90 15.19 80.36 13.24 16.45 80.36 12.35 2 0 20.55-999 ?-999 ?-999 ? O2 EDO A 148 mVAL^A 58 13.59 81.95 14.12 13.00 81.16 13.95 13.89 83.52 15.99 14.26 82.61 16.75 13.13 83.21 14.71 11.59 83.15 15.01 3 0 17.10-999 ?-999 ?-999 ? O1 EDO A 148 mGLN^A 59 14.14 84.81 16.21 13.90 85.42 15.46 13.61 86.05 18.21 12.85 86.83 17.61 14.70 85.30 17.44 15.83 86.25 17.16 2 0 14.79-999 ?-999 ?-999 ? O2 EDO A 148 mILE^A 60 13.51 85.75 19.51 14.16 85.05 19.80 13.30 87.04 21.56 14.04 86.36 22.30 12.55 86.38 20.42 11.55 85.37 21.11 3 0 11.02-999 ?-999 ?-999 ? O2 EDO A 148 mTYR^A 61 13.11 88.36 21.68 12.55 88.75 20.95 12.51 89.58 23.72 11.57 90.26 23.32 13.65 89.17 22.76 14.29 90.48 22.22 3 0 9.06-999 ?-999 ?-999 ? O2 EDO A 148 mGLU^A 62 12.63 89.23 24.99 13.42 88.64 25.18 12.23 89.56 27.43 12.82 88.55 27.78 11.67 89.68 26.01 10.38 88.88 25.94 2 0 -5.57-999 ?-999 ?-999 ? O2 EDO A 148s mGLY.A 63 12.05 90.60 28.25 11.63 91.41 27.83 13.87 90.11 29.89 14.20 89.40 30.83 12.43 90.51 29.64-999.99-999.99-999.99 1 0 5.65-999 ?-999 ?-999 ? O2 EDO A 148 mGLY.A 64 14.75 90.61 29.04 14.36 91.18 28.32 16.64 88.98 28.65 17.83 88.70 28.69 16.17 90.34 29.16-999.99-999.99-999.99 1 0 9.27-999 ?-999 ?-999 ? O2 EDO A 148 mLYS^A 65 15.72 88.14 28.17 14.79 88.52 28.19 15.78 86.61 26.17 14.89 87.19 25.59 16.05 86.80 27.68 15.23 85.73 28.43 2 0 10.23-999 ?-999 ?-999 ? O2 EDO A 148 mVAL^A 66 16.53 85.70 25.56 17.14 85.19 26.16 16.20 84.01 23.82 16.79 83.10 24.42 16.44 85.50 24.14 17.73 86.07 23.41 3 0 11.99-999 ?-999 ?-999 ? O2 EDO A 148 mGLU^A 67 15.27 83.76 22.92 14.68 84.55 22.71 15.57 82.60 20.89 15.45 83.68 20.30 15.13 82.46 22.31 13.70 81.98 22.40 2 0 13.61-999 ?-999 ?-999 ? O2 EDO A 148 mARG.A 68 16.07 81.50 20.33 15.92 80.66 20.86 16.25 80.57 18.03 16.90 80.33 17.03 16.78 81.52 19.07 18.26 81.24 19.32 2 0 16.83-999 ?-999 ?-999 ? O2 EDO A 148 mSER~A 69 15.06 80.03 18.22 14.63 80.23 19.10 13.01 78.98 17.49 12.59 79.11 18.63 14.47 79.20 17.20 15.16 77.81 17.14 2 0 18.26-999 ?-999 ?-999 ? O2 EDO A 148 mLEU~A 70 12.24 78.59 16.46 12.72 78.51 15.58 10.65 77.18 17.62 9.85 77.29 18.56 10.83 78.32 16.63 10.15 78.01 15.29 3 0 18.00-999 ?-999 ?-999 ? O1 EDO A 148 mTHR~A 71 11.40 76.10 17.44 12.07 76.18 16.71 11.43 75.24 19.76 10.66 74.78 20.60 11.22 74.93 18.29 12.11 73.72 17.87 2 0 19.89-999 ?-999 ?-999 ? O2 EDO A 148 mGLU~A 72 12.48 76.01 20.06 13.05 76.26 19.28 11.55 77.27 21.93 11.00 76.99 23.00 12.73 76.46 21.43 14.02 77.30 21.50 2 0 17.56-999 ?-999 ?-999 ? O2 EDO A 148 mTYR~A 73 11.16 78.31 21.19 11.68 78.45 20.35 8.78 78.32 21.88 8.15 78.47 22.90 10.04 79.15 21.64 9.71 80.25 20.65 3 0 14.42-999 ?-999 ?-999 ? O2 EDO A 148 mALA~A 74 8.46 77.46 20.91 9.15 77.38 20.19 7.13 75.67 22.01 6.05 75.35 22.54 7.20 76.70 20.90 7.01 76.02 19.52 2 0 16.42-999 ?-999 ?-999 ? O1 EDO A 148 mASN~A 75 8.29 75.15 22.40 9.11 75.54 21.97 7.82 74.55 24.75 7.31 73.76 25.53 8.31 74.09 23.39 9.70 73.53 23.54 2 0 18.18-999 ?-999 ?-999 ? O2 EDO A 148 mHIS~A 76 7.94 75.83 25.02 8.23 76.39 24.25 7.13 77.82 26.43 6.05 78.04 26.86 7.66 76.36 26.34 8.89 76.22 27.19 3 0 15.30-999 ?-999 ?-999 ? O2 EDO A 148 mHIS~A 77 7.95 78.79 26.06 8.83 78.45 25.73 6.27 80.52 25.42 5.46 81.26 25.95 7.60 80.23 26.14 8.81 81.08 25.66 3 0 11.52-999 ?-999 ?-999 ? O2 EDO A 148 mMETA 78 6.02 79.89 24.27 6.77 79.31 23.96 3.51 79.76 24.45 2.55 80.52 24.51 4.72 80.08 23.57 4.67 79.21 22.31 2 0 12.15-999 ?-999 ?-999 ? O1 EDO A 148 mLEU~A 79 3.53 78.60 25.09 4.38 78.08 24.95 2.23 79.03 27.18 1.12 79.32 27.59 2.42 78.15 25.92 2.61 76.68 26.29 3 0 13.86-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 80 3.34 79.54 27.73 4.19 79.21 27.31 2.70 81.81 28.39 1.86 82.40 29.09 3.31 80.49 28.82 4.74 80.68 29.33 2 0 11.60-999 ?-999 ?-999 ? O1 EDO A 148 mASP~A 81 3.07 82.26 27.18 3.75 81.69 26.72 1.04 83.37 26.36 0.27 84.29 26.66 2.53 83.49 26.60 3.20 83.81 25.26 2 0 8.56-999 ?-999 ?-999 ? O1 EDO A 148 mMETA 82 0.62 82.26 25.81 1.34 81.60 25.58 -1.60 82.01 26.90 -2.72 82.50 26.99 -0.82 82.05 25.56 -1.05 80.76 24.77 2 0 11.17-999 ?-999 ?-999 ? O1 EDO A 148 mALA~A 83 -1.00 81.43 27.92 -0.09 81.07 27.71 -1.74 82.76 29.85 -2.75 83.14 30.40 -1.64 81.34 29.25 -0.85 80.39 30.14 2 0 12.41-999 ?-999 ?-999 ? O1 EDO A 148 mTYR~A 84 -0.69 83.55 29.73 0.11 83.12 29.29 -1.81 85.71 29.49 -2.55 86.42 30.12 -0.70 84.91 30.20 0.66 85.54 29.91 3 0 9.33-999 ?-999 ?-999 ? O1 EDO A 148 mLEU~A 85 -1.88 85.59 28.17 -1.21 84.96 27.78 -4.37 85.96 27.56 -5.28 86.77 27.26 -2.89 86.36 27.37 -2.54 86.26 25.88 3 0 9.20-999 ?-999 ?-999 ? O1 EDO A 148 mLYS~A 86 -4.62 84.76 28.07 -3.80 84.25 28.34 -6.80 85.16 29.13 -8.00 85.38 28.89 -5.96 84.24 28.22 -5.86 82.82 28.78 2 0 13.00-999 ?-999 ?-999 ? O1 EDO A 148 mGLY~A 87 -6.16 85.73 30.15 -5.19 85.49 30.21 -6.71 88.14 30.82 -7.15 88.96 31.64 -6.84 86.64 31.09-999.99-999.99-999.99 1 0 13.20-999 ?-999 ?-999 ? O1 EDO A 148 mLEU^A 88 -6.10 88.51 29.69 -5.80 87.74 29.12 -6.78 90.36 28.15 -7.18 89.54 27.31 -5.90 89.92 29.33 -4.42 90.18 28.99 3 0 10.88-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 89 -7.12 91.66 28.17 -6.93 92.10 29.05 -6.60 93.25 26.38 -5.99 94.10 27.06 -7.71 92.38 27.04 -8.95 93.22 27.48 2 0 12.20-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 90 -6.30 92.96 25.11 -6.87 92.22 24.75 -5.87 94.64 23.33 -6.44 94.23 22.32 -5.24 93.65 24.32 -4.31 92.67 23.50 3 0 10.16-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 91 -5.72 95.94 23.62 -5.22 96.11 24.47 -5.14 97.71 21.98 -4.29 98.40 22.56 -6.25 97.00 22.77 -6.96 98.07 23.61 2 0 12.53-999 ?-999 ?-999 ? O1 EDO A 148 mPRO^A 92 -5.11 97.52 20.65 -5.77 96.87 20.29 -4.27 99.81 19.94 -5.38 100.33 19.80 -4.12 98.29 19.86 -4.36 97.79 18.43 3 0 12.73-999 ?-999 ?-999 ? O1 EDO A 148 mLYS^A 93 -3.16 100.51 20.23 -2.36 99.95 20.40 -2.51 102.59 19.07 -2.91 103.65 18.62 -3.15 101.98 20.29 -2.46 102.47 21.57 2 0 14.21-999 ?-999 ?-999 ? O1 EDO A 148 mGLU^A 94 -1.48 101.94 18.54 -1.12 101.18 19.08 -0.20 101.18 16.62 0.17 100.25 17.30 -0.94 102.36 17.27 -0.05 103.61 17.42 2 0 15.13-999 ?-999 ?-999 ? O1 EDO A 148 mHIS^A 95 -0.08 101.21 15.28 -0.45 102.03 14.86 1.00 100.63 13.15 0.20 101.11 12.37 0.55 100.14 14.52 -0.41 98.97 14.36 3 0 15.24-999 ?-999 ?-999 ? O1 EDO A 148 mGLN^A 96 2.31 100.54 12.90 2.83 100.16 13.66 3.70 99.75 11.07 4.51 99.14 11.76 2.92 100.94 11.64 3.86 102.14 11.84 2 0 17.65-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 97 3.39 99.40 9.83 2.60 99.88 9.45 4.77 99.08 7.91 4.06 99.80 7.20 4.17 98.40 9.10 3.28 97.20 8.68 3 0 18.77-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 98 6.07 98.88 7.71 6.51 98.29 8.38 7.46 98.35 5.85 8.13 97.51 6.45 6.79 99.48 6.61 7.89 100.49 7.07 2 0 21.60-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 99 7.28 98.35 4.53 6.76 99.14 4.20 8.91 97.88 2.80 8.77 98.98 2.26 7.79 97.31 3.65 6.70 96.78 2.70 3 0 23.90-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 100 10.02 97.15 2.73 9.99 96.33 3.30 11.64 96.24 1.18 12.40 95.43 1.70 11.18 97.50 1.91 12.33 98.07 2.75 2 0 24.30-999 ?-999 ?-999 ? O1 EDO B 150 mGLY.A 101 11.16 96.07 -0.04 10.64 96.85 -0.40 10.89 93.64 -0.02 9.69 93.53 0.29 11.39 94.85 -0.78-999.99-999.99-999.99 1 0 27.12-999 ?-999 ?-999 ? O1 EDO B 150 mASP.A 102 11.80 92.73 0.31 12.73 92.98 0.06 11.43 91.52 2.54 11.33 90.49 3.17 11.42 91.48 1.00 12.32 90.34 0.50 2 0 26.58-999 ?-999 ?-999 ? O1 EDO B 150 mILE^A 103 11.58 92.70 3.14 11.73 93.46 2.51 10.48 93.86 5.01 10.40 94.96 4.44 11.53 92.82 4.60 12.93 93.14 5.20 3 0 23.07-999 ?-999 ?-999 ? O1 EDO B 150 mALA^A 104 9.69 93.49 6.01 9.88 92.58 6.36 9.00 94.54 8.03 9.49 93.62 8.70 8.65 94.33 6.55 7.22 93.66 6.38 2 0 20.71-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 105 8.74 95.72 8.56 8.35 96.39 7.92 7.65 96.44 10.52 6.98 97.31 9.94 8.99 96.02 9.93 10.02 97.20 10.12 3 0 17.85-999 ?-999 ?-999 ? O1 EDO A 148 mSER^A 106 7.25 95.80 11.61 7.89 95.09 11.89 6.28 96.68 13.70 6.92 96.02 14.51 5.98 96.12 12.31 5.11 94.86 12.42 2 0 15.07-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 107 5.80 97.89 14.00 5.29 98.33 13.26 4.62 98.83 15.82 3.84 99.50 15.14 6.00 98.52 15.29 6.97 99.75 15.20 2 0 13.29-999 ?-999 ?-999 ? O1 EDO A 148 mSER^A 108 4.30 98.28 16.99 5.00 97.69 17.38 3.09 98.80 19.11 4.03 98.39 19.81 3.00 98.54 17.60 2.01 97.43 17.31 2 0 11.38-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 109 2.06 99.50 19.59 1.41 99.81 18.89 0.44 99.44 21.31 -0.46 99.83 20.57 1.89 99.78 20.98 2.18 101.25 21.34 3 0 10.12-999 ?-999 ?-999 ? O1 EDO A 148 mSER^A 110 0.25 98.71 22.39 1.08 98.48 22.89 -1.23 98.36 24.29 -0.26 98.32 25.05 -1.07 98.27 22.78 -1.38 96.85 22.34 2 0 9.35-999 ?-999 ?-999 ? O1 EDO A 148 mHIS^A 111 -2.49 98.48 24.71 -3.14 98.57 23.96 -3.24 97.09 26.56 -4.15 96.47 25.96 -2.87 98.49 26.13 -4.07 99.40 26.37 3 0 9.91-999 ?-999 ?-999 ? C1 EDO A 148 mALA^A 112 -2.58 96.63 27.63 -1.91 97.26 28.02 -3.48 95.56 29.56 -2.90 96.22 30.47 -2.83 95.32 28.19 -1.53 94.55 28.32 2 0 8.18-999 ?-999 ?-999 ? C1 EDO A 148 mGLN^A 113 -4.71 95.08 29.71 -5.08 94.58 28.92 -6.12 93.98 31.33 -6.77 93.32 30.48 -5.42 95.29 30.94 -6.42 96.45 30.82 2 0 11.07-999 ?-999 ?-999 ? C1 EDO A 148 mGLY^A 114 -5.98 93.63 32.61 -5.46 94.29 33.16 -5.84 91.95 34.42 -5.54 92.77 35.29 -6.54 92.38 33.15-999.99-999.99-999.99 1 0 12.56-999 ?-999 ?-999 ? C1 EDO A 148 mGLU.A 115 -5.63 90.64 34.56 -6.05 90.06 33.86 -4.21 88.75 35.35 -4.64 88.02 34.44 -4.81 90.14 35.67 -5.52 90.20 37.03 2 0 12.65-999 ?-999 ?-999 ? C1 EDO A 148 mTYR.A 116 -3.16 88.44 36.11 -2.91 89.15 36.77 -1.83 86.99 37.37 -1.38 87.96 38.00 -2.45 87.21 36.01 -1.38 87.32 34.95 3 0 12.17-999 ?-999 ?-999 ? C1 EDO A 148 mLYS.A 117 -1.77 85.73 37.83 -2.18 85.06 37.21 -1.58 86.39 40.22 -0.72 86.97 40.91 -1.16 85.39 39.13 0.38 85.35 39.03 2 0 12.21-999 ?-999 ?-999 ? C1 EDO C 148 mSER.A 120 -3.32 92.62 39.34 -3.13 91.88 39.98 -2.56 93.92 37.31 -1.42 94.27 37.61 -3.60 93.71 38.40 -3.67 95.05 39.15 2 0 13.56-999 ?-999 ?-999 ? C1 EDO A 148 mILE^A 121 -2.95 93.73 36.04 -3.83 93.26 35.93 -2.83 95.39 34.30 -4.00 95.32 33.92 -2.14 94.19 34.92 -1.96 93.14 33.80 3 0 10.07-999 ?-999 ?-999 ? C1 EDO A 148 mASP^A 122 -2.10 96.49 34.21 -1.22 96.45 34.68 -1.33 98.25 32.93 -0.68 99.03 33.64 -2.58 97.64 33.46 -3.35 98.62 34.35 2 0 10.61-999 ?-999 ?-999 ? C1 EDO A 148 mSER^A 123 -0.96 97.88 31.71 -1.57 97.24 31.24 0.18 98.59 29.62 -0.61 97.96 28.88 0.25 98.39 31.13 1.43 97.46 31.47 2 0 8.13-999 ?-999 ?-999 ? C1 EDO A 148 mMETA 124 0.99 99.53 29.18 1.44 100.08 29.88 2.18 98.61 27.42 3.01 98.20 28.26 1.19 99.72 27.77 1.79 101.09 27.48 2 0 8.07-999 ?-999 ?-999 ? C1 EDO A 148 mTHR^A 125 2.03 98.05 26.24 1.26 98.40 25.71 3.43 97.51 24.44 2.75 98.28 23.76 2.93 97.03 25.77 2.25 95.64 25.60 2 0 5.32-999 ?-999 ?-999 ? C1 EDO A 148 mMETA 126 4.63 97.06 24.09 5.03 96.44 24.76 5.83 96.22 22.13 6.28 95.24 22.76 5.29 97.44 22.84 6.45 98.42 23.10 2 0 6.85-999 ?-999 ?-999 ? O1 EDO A 148 mGLU^A 127 5.80 96.29 20.82 5.41 97.14 20.47 6.94 95.71 18.67 6.37 96.46 17.88 6.30 95.23 19.97 5.19 94.28 19.62 2 0 7.74-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 128 8.15 95.20 18.44 8.56 94.74 19.23 8.89 93.90 16.55 9.39 92.98 17.18 8.80 95.33 17.16 10.16 95.99 17.28 2 0 11.03-999 ?-999 ?-999 ? O1 EDO A 148 mLEU^A 129 8.32 93.75 15.35 7.77 94.54 15.09 9.21 92.83 13.21 8.97 93.85 12.54 8.48 92.55 14.51 7.12 91.94 14.15 3 0 12.83-999 ?-999 ?-999 ? O1 EDO A 148 mVAL^A 130 10.10 91.92 12.82 10.31 91.24 13.52 10.14 90.67 10.80 10.12 89.56 11.38 10.70 91.91 11.51 12.24 91.83 11.54 3 0 16.40-999 ?-999 ?-999 ? O1 EDO A 148 mLEU^A 131 9.69 90.86 9.56 9.75 91.81 9.27 9.96 89.74 7.45 10.36 90.81 6.99 9.16 89.77 8.72 7.68 89.97 8.42 3 0 18.67-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 132 10.20 88.54 6.90 9.83 87.77 7.42 10.10 87.50 4.70 9.57 86.47 5.11 10.95 88.36 5.65 12.33 87.70 5.88 3 0 22.28-999 ?-999 ?-999 ? O1 EDO A 148 mLYS^A 133 9.94 87.99 3.48 10.35 88.89 3.35 10.02 86.06 1.99 11.16 86.19 1.49 9.21 87.28 2.43 8.94 88.22 1.26 2 0 25.12-999 ?-999 ?-999 ? O1 EDO A 148 mGLN.A 134 9.44 84.89 2.16 8.52 84.97 2.55 9.98 83.30 0.33 9.27 83.99 -0.41 10.07 83.60 1.83 9.41 82.45 2.62 2 0 26.77-999 ?-999 ?-999 ? O1 EDO A 148 mALA.A 135 10.67 82.25 -0.12 11.17 81.78 0.60 9.30 81.53 -2.13 9.10 81.67 -3.34 10.69 81.84 -1.55 11.62 80.61 -1.76 2 0 30.58-999 ?-999 ?-999 ? O1 EDO A 148 mASP.A 136 8.36 81.11 -1.29 8.68 81.01 -0.35 6.06 82.07 -1.69 4.87 81.97 -2.05 6.98 80.83 -1.75 6.36 79.68 -0.94 2 0 30.59-999 ?-999 ?-999 ? O1 EDO A 148 mGLY.A 137 6.61 83.20 -1.23 7.56 83.10 -0.94 5.22 84.77 0.18 4.74 85.90 0.43 5.87 84.47 -1.16-999.99-999.99-999.99 1 0 28.83-999 ?-999 ?-999 ? O1 EDO A 148 mARG.A 138 5.20 83.80 1.07 5.60 82.94 0.76 5.59 84.76 3.26 6.79 84.54 3.17 4.62 84.00 2.38 4.32 82.67 3.04 2 0 25.53-999 ?-999 ?-999 ? O1 EDO A 148 mTRP^A 139 5.06 85.65 4.09 4.07 85.77 4.00 6.00 85.55 6.34 5.05 84.92 6.79 5.85 86.37 5.05 5.23 87.73 5.39 3 0 22.35-999 ?-999 ?-999 ? O1 EDO A 148 mLYS^A 140 7.19 85.57 6.92 7.89 86.08 6.42 8.24 85.85 9.11 9.15 86.55 8.68 7.46 84.91 8.18 8.25 83.65 7.96 2 0 19.98-999 ?-999 ?-999 ? O1 EDO A 148 mILE^A 141 7.84 85.86 10.38 7.06 85.25 10.53 9.85 86.07 11.81 9.97 84.89 12.19 8.48 86.66 11.44 7.56 86.76 12.67 3 0 16.58-999 ?-999 ?-999 ? O1 EDO A 148 mTHR^A 142 10.89 86.88 11.67 10.65 87.80 11.36 12.81 87.03 13.25 13.77 86.50 13.82 12.26 86.43 11.95 13.18 86.73 10.76 2 0 17.51-999 ?-999 ?-999 ? O1 EDO A 148 mHIS^A 143 12.20 88.11 13.74 11.43 88.44 13.19 11.46 89.37 15.66 10.62 90.00 15.00 12.66 88.75 14.98 13.81 89.78 14.76 3 0 14.61-999 ?-999 ?-999 ? O1 EDO A 148 mVAL^A 144 11.38 89.13 16.98 12.11 88.52 17.30 11.06 90.37 19.08 11.97 89.81 19.76 10.38 89.66 17.89 9.41 88.57 18.42 3 0 10.81-999 ?-999 ?-999 ? O1 EDO A 148 mHIS^A 145 10.64 91.59 19.34 10.00 91.97 18.67 9.83 92.79 21.23 9.10 93.62 20.72 11.08 92.32 20.53 11.98 93.47 20.20 3 0 8.72-999 ?-999 ?-999 ? C2 EDO A 148 mTRP^A 146 9.59 92.23 22.41 10.25 91.52 22.65 8.89 93.34 24.52 9.82 92.95 25.18 8.45 92.61 23.27 7.70 91.35 23.72 3 0 5.04-999 ?-999 ?-999 ? C2 EDO A 148 mSER^A 147 8.16 94.39 24.88 7.49 94.70 24.21 7.05 95.63 26.66 6.04 95.44 25.99 8.35 95.01 26.16 9.44 96.09 26.10 2 0 -3.53-999 ?-999 ?-999 ? C2 EDO A 148s mALA.B 23 26.23 85.63 20.17 25.56 85.52 20.91 27.41 87.23 18.71 26.59 88.08 19.08 27.23 85.78 19.07 26.79 84.98 17.80 2 0 16.85-999 ?-999 ?-999 ? O1 EDO B 150 mPHE^B 24 28.46 87.50 17.97 29.07 86.72 17.85 28.79 88.62 15.87 29.78 88.08 15.34 28.71 88.82 17.37 29.96 89.44 18.00 3 0 15.30-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 25 27.74 89.02 15.18 27.07 89.54 15.72 27.24 89.97 13.01 26.38 90.74 13.46 27.59 88.71 13.76 26.42 87.77 13.48 3 0 16.71-999 ?-999 ?-999 ? O1 EDO B 150 mGLY.B 26 27.92 90.18 11.89 28.62 89.50 11.69 28.03 92.69 11.52 27.65 93.70 10.91 27.64 91.32 11.02-999.99-999.99-999.99 1 0 16.77-999 ?-999 ?-999 ? O1 EDO B 150 mVAL.B 27 28.81 92.77 12.59 29.18 91.89 12.90 30.16 94.85 12.51 30.25 96.06 12.70 29.08 94.06 13.24 29.48 93.89 14.73 3 0 14.25-999 ?-999 ?-999 ? O1 EDO B 150 mASP.B 28 30.94 94.16 11.68 30.71 93.19 11.65 31.55 95.69 9.75 32.33 96.44 9.20 32.03 94.78 10.90 32.94 93.68 10.33 2 0 17.21-999 ?-999 ?-999 ? O1 EDO B 150 mSER~B 29 30.26 95.66 9.44 29.71 95.15 10.10 29.55 97.83 8.46 29.74 98.36 9.53 29.70 96.30 8.28 28.35 95.65 8.05 2 0 17.60-999 ?-999 ?-999 ? O1 EDO B 150 mALA~B 30 29.17 98.51 7.40 29.11 97.98 6.56 27.73 100.16 8.49 27.82 101.08 9.28 28.85 99.93 7.48 28.48 100.43 6.09 2 0 17.31-999 ?-999 ?-999 ? O1 EDO B 150 mALA~B 31 26.65 99.36 8.47 26.68 98.66 7.75 26.07 99.32 10.88 25.75 100.06 11.80 25.54 99.51 9.45 24.37 98.50 9.15 2 0 14.42-999 ?-999 ?-999 ? O1 EDO B 150 mGLY~B 32 26.91 98.30 11.02 27.03 97.74 10.20 28.40 99.22 12.76 28.34 99.56 13.94 27.59 98.03 12.27-999.99-999.99-999.99 1 0 12.79-999 ?-999 ?-999 ? O1 EDO B 150 mASN~B 33 29.14 99.87 11.87 29.11 99.48 10.95 29.04 102.17 12.83 29.41 102.81 13.84 29.92 101.05 12.23 30.77 101.54 11.03 2 0 13.61-999 ?-999 ?-999 ? O1 EDO B 150 mVAL~B 34 27.88 102.37 12.22 27.76 101.79 11.42 26.28 102.96 14.03 26.18 103.79 14.93 26.88 103.35 12.69 25.78 103.52 11.65 3 0 11.74-999 ?-999 ?-999 ? C1 EDO B 150 mVAL~B 35 25.92 101.69 14.19 26.02 101.10 13.39 26.46 101.47 16.60 26.14 101.98 17.68 25.41 101.26 15.48 24.92 99.80 15.44 3 0 8.54-999 ?-999 ?-999 ? O1 EDO B 150 mLYS~B 36 27.70 101.07 16.34 27.83 100.68 15.43 29.07 102.65 17.74 29.23 102.95 18.93 28.78 101.20 17.33 30.07 100.54 16.82 2 0 8.56-999 ?-999 ?-999 ? O2 EDO B 150 mGLN~B 37 29.11 103.56 16.77 28.97 103.19 15.85 28.17 105.58 17.80 28.37 106.48 18.63 29.34 104.97 17.05 29.63 105.74 15.76 2 0 9.38-999 ?-999 ?-999 ? O2 EDO B 150 mPHE~B 38 26.96 105.10 17.51 26.96 104.42 16.77 25.75 105.18 19.71 25.51 106.03 20.57 25.75 105.53 18.20 24.52 104.95 17.49 3 0 6.92-999 ?-999 ?-999 ? C1 EDO B 150 mHIS~B 39 26.02 103.92 20.01 26.05 103.33 19.21 27.29 104.31 22.12 26.98 104.82 23.18 26.26 103.45 21.37 26.75 102.01 21.36 3 0 -3.89-999 ?-999 ?-999 ? O2 EDO B 150s mALA~B 40 28.50 104.43 21.57 28.60 103.93 20.70 29.16 106.67 22.40 29.37 107.29 23.46 29.57 105.22 22.19 30.86 105.14 21.34 2 0 6.25-999 ?-999 ?-999 ? O2 EDO B 150 mALA~B 41 28.57 107.23 21.37 28.41 106.62 20.59 27.16 108.88 22.44 27.26 109.84 23.18 28.21 108.61 21.39 27.74 109.06 20.02 2 0 7.93-999 ?-999 ?-999 ? O2 EDO B 150 mLEU~B 42 26.17 108.01 22.57 26.19 107.24 21.93 25.74 108.06 25.02 25.42 108.78 25.95 25.13 108.23 23.59 23.90 107.35 23.30 3 0 5.96-999 ?-999 ?-999 ? C2 EDO B 150 mGLN~B 43 26.64 107.08 25.15 26.77 106.54 24.32 28.33 107.95 26.72 28.61 108.20 27.87 27.36 106.83 26.38 28.09 105.48 26.29 2 0 -5.49-999 ?-999 ?-999 ? O2 EDO B 150s mMETB 44 28.85 108.65 25.72 28.54 108.38 24.81 29.16 111.10 25.98 29.82 112.08 26.35 29.79 109.71 25.98 30.90 109.67 24.95 2 0 9.07-999 ?-999 ?-999 ? O2 EDO B 150 mGLY~B 45 27.89 111.21 25.59 27.43 110.35 25.35 27.67 113.31 24.30 27.64 114.55 24.30 27.25 112.51 25.52-999.99-999.99-999.99 1 0 10.51-999 ?-999 ?-999 ? O2 EDO B 150 mASN~B 46 28.06 112.62 23.22 28.05 111.63 23.35 27.26 113.50 21.04 26.85 112.62 20.27 28.47 113.29 21.98 29.58 112.51 21.31 2 0 11.90-999 ?-999 ?-999 ? O2 EDO B 150 mGLU~B 47 26.68 114.69 21.11 27.13 115.31 21.76 25.79 115.08 18.79 24.95 114.70 17.96 25.51 115.03 20.32 24.95 116.35 20.84 2 0 10.22-999 ?-999 ?-999 ? C1 EDO B 148 mALA~B 48 26.99 115.48 18.40 27.61 115.75 19.13 27.17 114.13 16.33 26.71 114.00 15.17 27.32 115.51 16.97 28.72 116.05 16.75 2 0 11.65-999 ?-999 ?-999 ? C1 EDO B 148 mILE~B 49 27.59 113.09 17.06 27.89 113.31 17.98 26.19 111.13 16.68 25.73 110.41 15.78 27.58 111.73 16.50 28.73 110.85 17.06 3 0 12.62-999 ?-999 ?-999 ? C1 EDO B 150 mVAL~B 50 25.50 111.43 17.76 25.98 112.00 18.42 23.29 111.46 16.73 22.54 110.74 16.10 24.12 110.92 17.91 23.46 111.32 19.21 3 0 10.19-999 ?-999 ?-999 ? C1 EDO B 150 mARG~B 51 23.49 112.73 16.40 24.15 113.20 16.98 23.05 112.68 13.96 22.15 112.50 13.17 22.81 113.38 15.28 23.34 114.81 15.17 2 0 9.78-999 ?-999 ?-999 ? C1 EDO B 148 mGLN~B 52 24.31 112.39 13.69 24.94 112.63 14.42 24.10 110.36 12.24 23.83 109.92 11.13 24.73 111.79 12.44 26.24 111.70 12.54 2 0 13.11-999 ?-999 ?-999 ? O1 EDO B 148 mSER~B 53 23.88 109.69 13.36 24.02 110.26 14.17 21.95 108.05 13.26 21.55 107.01 12.76 23.46 108.27 13.41 23.98 107.70 14.72 2 0 11.66-999 ?-999 ?-999 ? C1 EDO B 150 mLEU^B 54 21.15 109.02 13.70 21.63 109.83 14.03 19.09 109.65 12.55 19.52 110.75 12.18 19.71 108.91 13.71 19.13 109.42 15.05 3 0 12.01-999 ?-999 ?-999 ? C1 EDO B 150 mALA^B 55 18.08 109.03 11.93 17.89 108.11 12.27 16.50 110.79 11.41 16.08 110.75 12.57 17.34 109.63 10.84 16.44 108.58 10.14 2 0 12.65-999 ?-999 ?-999 ? O1 EDO B 148 mALA^B 56 16.27 111.82 10.59 16.70 111.72 9.69 14.15 112.52 11.56 13.67 113.11 12.51 15.47 112.98 10.99 15.23 113.95 9.81 2 0 9.86-999 ?-999 ?-999 ? O1 EDO B 148 mASN^B 57 13.57 111.47 10.95 14.09 111.06 10.20 12.34 109.69 12.18 11.41 108.87 12.18 12.26 111.00 11.41 11.31 110.96 10.26 2 0 11.80-999 ?-999 ?-999 ? O1 EDO B 148 mVAL^B 58 13.42 109.54 12.91 14.10 110.26 12.80 12.37 108.18 14.79 11.86 109.14 15.36 13.55 108.36 13.80 14.89 108.38 14.57 3 0 12.76-999 ?-999 ?-999 ? O1 EDO B 148 mGLN^B 59 11.94 106.93 14.96 12.35 106.27 14.33 11.67 105.76 17.08 12.48 104.86 16.81 10.96 106.54 15.95 9.85 105.68 15.32 2 0 13.10-999 ?-999 ?-999 ? O2 EDO B 149 mILE^B 60 11.39 106.14 18.33 10.67 106.82 18.40 11.02 105.07 20.44 10.08 105.80 20.80 12.08 105.59 19.48 13.04 106.61 20.15 3 0 9.59-999 ?-999 ?-999 ? O2 EDO B 149 mTYR^B 61 11.15 103.79 20.78 11.94 103.35 20.35 10.99 102.72 22.97 12.01 102.02 22.95 10.26 103.07 21.67 9.81 101.77 21.03 3 0 9.82-999 ?-999 ?-999 ? O2 EDO B 149 mGLU^B 62 10.46 103.15 24.10 9.68 103.76 23.96 10.00 102.99 26.53 9.45 104.10 26.63 11.01 102.75 25.41 12.29 103.49 25.75 2 0 -7.94-999 ?-999 ?-999 ? O1 EDO B 149s mGLY.B 63 9.71 101.93 27.28 10.14 101.09 26.94 7.46 102.47 28.31 6.98 103.24 29.13 8.86 101.95 28.48-999.99-999.99-999.99 1 0 9.63-999 ?-999 ?-999 ? O1 EDO B 149 mGLY.B 64 6.83 102.09 27.22 7.39 101.49 26.64 5.40 103.86 26.22 4.30 104.26 25.86 5.48 102.50 26.88-999.99-999.99-999.99 1 0 9.95-999 ?-999 ?-999 ? C2 EDO A 148 mLYS^B 65 6.53 104.57 26.04 7.36 104.10 26.35 7.22 105.91 24.10 8.14 105.12 23.89 6.50 105.91 25.44 7.11 106.97 26.38 2 0 12.18-999 ?-999 ?-999 ? O2 EDO B 149 mVAL^B 66 6.74 106.75 23.18 5.97 107.30 23.50 7.63 108.26 21.49 6.83 109.17 21.78 7.29 106.83 21.83 6.34 106.17 20.74 3 0 12.37-999 ?-999 ?-999 ? O2 EDO B 149 mGLU^B 67 8.84 108.48 20.95 9.44 107.68 21.00 9.24 109.59 18.84 9.65 108.53 18.35 9.24 109.76 20.35 10.61 110.22 20.87 2 0 12.18-999 ?-999 ?-999 ? O2 EDO B 149 mARG.B 68 8.79 110.62 18.11 8.65 111.47 18.61 9.46 111.11 15.69 9.29 110.93 14.49 8.53 110.43 16.68 7.10 110.82 16.36 2 0 -12.47-999 ?-999 ?-999 ? O1 EDO B 148s mSER~B 69 10.45 111.87 16.19 10.41 112.01 17.18 12.77 112.66 16.11 12.76 112.61 17.37 11.48 112.44 15.34 11.01 113.78 14.74 2 0 9.38-999 ?-999 ?-999 ? O1 EDO B 148 mLEU~B 70 13.88 112.90 15.37 13.76 112.86 14.38 15.04 114.41 16.93 15.53 114.39 18.03 15.15 113.19 16.01 16.29 113.40 14.97 3 0 7.31-999 ?-999 ?-999 ? O1 EDO B 148 mTHR~B 71 14.44 115.49 16.43 14.10 115.38 15.49 13.46 116.49 18.49 13.80 116.99 19.54 14.30 116.74 17.23 13.72 117.91 16.44 2 0 -3.99-999 ?-999 ?-999 ? O1 EDO B 148s mGLU~B 72 12.40 115.70 18.39 12.20 115.39 17.45 12.45 114.58 20.58 12.45 114.94 21.75 11.60 115.33 19.55 10.41 114.50 19.15 2 0 6.98-999 ?-999 ?-999 ? O1 EDO B 148 mTYR~B 73 13.19 113.56 20.15 13.11 113.36 19.18 15.02 113.78 21.72 15.22 113.80 22.94 14.03 112.82 21.08 14.79 111.72 20.31 3 0 8.23-999 ?-999 ?-999 ? C1 EDO B 148 mALA~B 74 15.67 114.58 20.88 15.42 114.45 19.92 16.13 116.54 22.40 16.77 116.83 23.40 16.67 115.54 21.37 17.27 116.30 20.17 2 0 5.32-999 ?-999 ?-999 ? C1 EDO B 148 mASN~B 75 14.97 117.10 22.13 14.57 116.79 21.26 13.76 117.48 24.27 13.73 118.12 25.32 14.33 118.08 23.00 13.18 118.78 22.26 2 0 -5.28-999 ?-999 ?-999 ? C1 EDO B 148s mHIS~B 76 13.36 116.22 24.20 13.59 115.75 23.35 13.40 114.60 26.15 13.33 114.67 27.36 12.64 115.63 25.34 11.35 115.00 24.86 3 0 8.98-999 ?-999 ?-999 ? C1 EDO B 148 mHIS~B 77 14.15 113.68 25.51 14.27 113.84 24.53 16.25 112.28 26.16 16.80 111.54 26.98 14.74 112.55 26.26 14.05 111.25 25.81 3 0 8.51-999 ?-999 ?-999 ? O2 EDO B 149 mMETB 78 16.90 112.83 25.15 16.35 113.45 24.60 19.20 112.90 26.09 20.07 112.12 26.51 18.31 112.53 24.91 18.79 113.26 23.66 2 0 7.73-999 ?-999 ?-999 ? O2 EDO B 149 mLEU~B 79 18.97 114.09 26.63 18.24 114.61 26.21 19.58 113.65 28.98 20.52 113.32 29.66 19.78 114.54 27.76 19.52 116.01 28.14 3 0 9.73-999 ?-999 ?-999 ? O2 EDO B 149 mALA~B 80 18.34 113.26 29.25 17.63 113.65 28.66 18.77 111.03 30.10 19.39 110.44 31.02 18.08 112.35 30.35 16.58 112.15 30.50 2 0 8.35-999 ?-999 ?-999 ? O2 EDO B 149 mASP~B 81 18.67 110.52 28.86 18.17 111.09 28.20 20.79 109.28 28.73 21.40 108.36 29.25 19.27 109.22 28.53 18.92 108.80 27.10 2 0 -4.77-999 ?-999 ?-999 ? O2 EDO B 149s mMETB 82 21.40 110.39 28.29 20.80 111.05 27.84 23.23 110.61 29.93 24.26 110.07 30.30 22.83 110.60 28.47 23.28 111.89 27.80 2 0 7.32-999 ?-999 ?-999 ? O2 EDO B 149 mALA~B 83 22.41 111.24 30.77 21.60 111.62 30.33 22.61 109.97 32.83 23.49 109.56 33.58 22.68 111.36 32.20 21.65 112.32 32.86 2 0 9.49-999 ?-999 ?-999 ? O2 EDO B 149 mTYR~B 84 21.57 109.24 32.47 20.95 109.71 31.83 22.52 106.92 32.67 22.90 106.09 33.51 21.36 107.86 32.97 20.02 107.33 32.41 3 0 7.42-999 ?-999 ?-999 ? O1 EDO B 149 mLEU~B 85 23.09 107.03 31.47 22.71 107.75 30.89 25.56 106.51 31.66 26.48 105.68 31.67 24.19 106.17 31.05 24.32 106.23 29.53 3 0 7.09-999 ?-999 ?-999 ? C2 EDO B 149 mLYS~B 86 25.70 107.75 32.12 24.86 108.28 32.16 27.64 107.42 33.69 28.86 107.24 33.70 27.02 108.24 32.54 26.94 109.74 32.89 2 0 10.07-999 ?-999 ?-999 ? O2 EDO B 150 mGLY~B 87 26.82 106.89 34.61 25.85 107.09 34.44 27.19 104.59 35.60 27.30 103.87 36.58 27.31 106.10 35.75-999.99-999.99-999.99 1 0 11.94-999 ?-999 ?-999 ? O2 EDO B 150 mLEU^B 88 26.98 104.11 34.38 26.95 104.81 33.67 27.91 102.19 33.26 28.44 102.93 32.43 26.79 102.68 34.12 25.52 102.44 33.34 3 0 9.64-999 ?-999 ?-999 ? O2 EDO B 150 mTHR^B 89 28.31 100.95 33.47 27.94 100.51 34.28 28.33 99.39 31.74 27.57 98.61 32.31 29.23 100.33 32.54 30.37 99.62 33.25 2 0 9.30-999 ?-999 ?-999 ? O2 EDO B 150 mILE^B 90 28.38 99.52 30.42 29.01 100.22 30.09 28.49 97.67 28.90 29.40 98.01 28.15 27.58 98.72 29.53 26.92 99.58 28.45 3 0 6.72-999 ?-999 ?-999 ? O2 EDO B 150 mTHR^B 91 28.23 96.40 29.17 27.46 96.25 29.78 28.29 94.56 27.56 27.36 93.82 27.92 29.05 95.35 28.59 29.52 94.40 29.65 2 0 9.15-999 ?-999 ?-999 ? O2 EDO B 150 mPRO^B 92 28.73 94.63 26.31 29.54 95.20 26.17 28.09 92.43 25.51 29.18 91.96 25.82 28.00 93.89 25.27 28.76 94.25 23.98 3 0 9.14-999 ?-999 ?-999 ? O2 EDO B 150 mLYS^B 93 26.95 91.72 25.40 26.15 92.28 25.19 26.68 89.56 24.24 27.19 88.47 24.05 26.88 90.29 25.56 25.76 89.90 26.51 2 0 12.18-999 ?-999 ?-999 ? O1 EDO B 150 mGLU^B 94 25.89 90.16 23.37 25.42 90.97 23.73 25.20 90.81 21.14 24.62 91.80 21.63 25.71 89.69 22.02 24.77 88.51 22.01 2 0 12.19-999 ?-999 ?-999 ? O1 EDO B 150 mHIS^B 95 25.47 90.67 19.84 25.94 89.82 19.63 25.07 91.03 17.44 26.09 90.48 16.97 25.10 91.66 18.83 26.13 92.78 18.81 3 0 11.02-999 ?-999 ?-999 ? O1 EDO B 150 mGLN^B 96 23.90 91.08 16.82 23.17 91.52 17.35 23.16 91.62 14.58 22.17 92.27 14.94 23.69 90.55 15.48 22.62 89.46 15.48 2 0 13.36-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 97 23.80 91.79 13.43 24.66 91.28 13.38 23.03 91.86 11.06 23.93 91.14 10.60 23.26 92.65 12.36 24.22 93.83 12.05 3 0 13.99-999 ?-999 ?-999 ? O1 EDO B 150 mTHR^B 98 21.84 91.98 10.49 21.19 92.55 11.00 21.14 92.41 8.25 20.39 93.33 8.60 21.53 91.33 9.22 20.40 90.31 9.35 2 0 17.24-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 99 21.69 92.33 7.04 22.30 91.55 6.93 20.68 92.65 4.84 21.08 91.58 4.35 21.42 93.31 5.99 22.71 93.99 5.51 3 0 19.07-999 ?-999 ?-999 ? O1 EDO B 150 mTHR^B 100 19.58 93.28 4.44 19.36 94.08 5.00 18.59 94.08 2.42 17.64 94.84 2.58 18.78 92.86 3.31 17.39 92.30 3.71 2 0 21.95-999 ?-999 ?-999 ? O1 EDO B 150 mGLY.B 101 19.52 94.29 1.52 20.24 93.59 1.52 19.68 96.76 1.35 20.70 96.98 1.99 19.50 95.44 0.61-999.99-999.99-999.99 1 0 23.58-999 ?-999 ?-999 ? O1 EDO B 150 mASP.B 102 18.67 97.62 1.27 17.88 97.28 0.76 18.27 99.00 3.38 18.16 100.09 3.96 18.72 98.94 1.90 17.85 99.87 1.09 2 0 21.81-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 103 18.04 97.84 3.96 18.21 97.06 3.36 18.57 96.85 6.11 19.12 95.91 5.55 17.58 97.71 5.34 16.19 97.07 5.41 3 0 18.87-999 ?-999 ?-999 ? O1 EDO B 150 mALA^B 104 18.82 97.22 7.36 18.43 98.10 7.61 18.88 96.40 9.63 18.21 97.39 10.04 19.61 96.41 8.28 21.05 96.94 8.42 2 0 15.99-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 105 18.94 95.25 10.28 19.42 94.53 9.77 19.54 94.69 12.49 20.32 93.80 12.18 18.37 95.04 11.60 17.39 93.85 11.57 3 0 13.77-999 ?-999 ?-999 ? O1 EDO B 150 mSER^B 106 19.64 95.43 13.60 18.95 96.16 13.63 19.85 94.85 15.91 18.93 95.56 16.37 20.61 95.24 14.66 21.39 96.53 14.90 2 0 10.64-999 ?-999 ?-999 ? O1 EDO B 150 mTHR^B 107 20.24 93.72 16.47 20.95 93.24 15.96 20.80 92.99 18.66 21.70 92.22 18.36 19.66 93.26 17.72 18.82 92.00 17.49 2 0 10.04-999 ?-999 ?-999 ? O1 EDO B 150 mSER^B 108 20.81 93.68 19.79 20.08 94.35 19.87 21.36 93.34 22.25 20.35 93.91 22.61 21.85 93.40 20.80 22.95 94.46 20.76 2 0 8.24-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 109 22.13 92.63 23.07 22.90 92.18 22.62 23.17 92.92 25.19 24.27 92.48 24.79 21.89 92.52 24.50 21.47 91.10 24.88 3 0 8.79-999 ?-999 ?-999 ? O1 EDO B 150 mSER^B 110 23.03 93.78 26.21 22.07 94.02 26.39 23.87 94.28 28.46 22.72 94.40 28.89 24.16 94.32 26.98 24.47 95.75 26.53 2 0 8.10-999 ?-999 ?-999 ? O1 EDO B 150 mHIS^B 111 24.92 94.11 29.25 25.79 94.00 28.79 25.07 95.48 31.23 26.19 96.00 31.07 24.76 94.09 30.69 25.67 93.06 31.33 3 0 10.20-999 ?-999 ?-999 ? O2 EDO B 150 mALA^B 112 24.06 96.10 31.85 23.21 95.57 31.89 24.43 97.25 33.89 23.60 96.65 34.56 24.23 97.43 32.41 23.00 98.30 32.12 2 0 9.04-999 ?-999 ?-999 ? O1 EDO B 149 mGLN^B 113 25.56 97.75 34.40 26.18 98.14 33.72 26.27 99.11 36.31 27.12 99.79 35.69 25.85 97.73 35.82 26.97 96.74 36.10 2 0 11.84-999 ?-999 ?-999 ? O1 EDO B 149 mGLY^B 114 25.69 99.54 37.43 24.96 98.95 37.76 25.00 101.30 38.98 24.35 100.55 39.66 26.09 100.79 38.08-999.99-999.99-999.99 1 0 12.68-999 ?-999 ?-999 ? O1 EDO B 149 mGLU^B 115 24.78 102.60 38.95 25.38 103.09 38.32 23.25 104.48 39.03 23.99 105.04 38.23 23.74 103.25 39.75 24.31 103.63 41.12 2 0 12.70-999 ?-999 ?-999 ? O1 EDO B 149 mTYR^B 116 22.01 104.89 39.28 21.47 104.26 39.83 20.64 106.82 39.84 19.70 106.23 40.33 21.51 106.17 38.77 20.71 106.04 37.46 3 0 11.45-999 ?-999 ?-999 ? O1 EDO B 149 mLYS.B 117 20.99 108.05 40.20 21.76 108.43 39.70 20.16 107.90 42.53 19.11 107.83 43.17 20.28 108.76 41.24 18.94 109.28 40.72 2 0 14.37-999 ?-999 ?-999 ? O1 EDO B 149 mGLY.B 118 21.27 107.25 42.90 22.02 107.39 42.25 20.80 105.02 44.10 20.89 104.28 45.10 21.37 106.43 44.12-999.99-999.99-999.99 1 0 16.54-999 ?-999 ?-999 ? O1 EDO B 149 mLYS^B 119 20.20 104.63 42.98 20.20 105.31 42.25 20.51 102.46 42.00 20.97 102.90 40.95 19.60 103.32 42.85 18.21 103.41 42.22 2 0 14.68-999 ?-999 ?-999 ? O1 EDO B 149 mSER^B 120 20.75 101.23 42.46 20.28 101.01 43.31 20.94 99.78 40.51 19.72 99.61 40.49 21.63 100.31 41.76 22.04 99.15 42.68 2 0 14.16-999 ?-999 ?-999 ? O1 EDO B 149 mILE^B 121 21.75 99.56 39.47 22.70 99.81 39.64 22.16 97.82 37.94 23.38 97.90 37.99 21.27 99.01 38.21 21.37 100.05 37.07 3 0 11.11-999 ?-999 ?-999 ? O1 EDO B 149 mASP^B 122 21.56 96.68 37.71 20.56 96.71 37.77 21.39 94.66 36.58 20.65 93.88 37.15 22.34 95.50 37.39 22.80 94.75 38.66 2 0 12.45-999 ?-999 ?-999 ? O1 EDO B 149 mSER^B 123 21.36 94.87 35.26 22.05 95.50 34.91 20.72 94.07 32.96 21.58 94.77 32.44 20.35 94.20 34.44 19.02 94.94 34.55 2 0 10.91-999 ?-999 ?-999 ? O1 EDO B 149 mMETB 124 20.02 93.17 32.28 19.33 92.68 32.81 19.41 93.94 30.13 18.25 94.14 30.45 20.27 92.95 30.89 19.95 91.49 30.53 2 0 10.53-999 ?-999 ?-999 ? O1 EDO B 149 mTHR^B 125 20.02 94.64 29.20 20.99 94.43 29.10 19.26 95.05 27.01 20.17 94.29 26.61 19.31 95.63 28.40 20.05 96.97 28.38 2 0 7.18-999 ?-999 ?-999 ? C1 EDO B 149 mMETB 126 18.19 95.38 26.27 17.57 96.03 26.71 17.65 95.99 24.00 17.00 96.95 24.39 17.95 94.85 24.94 16.72 93.97 24.97 2 0 7.75-999 ?-999 ?-999 ? O1 EDO B 150 mGLU^B 127 18.10 95.86 22.75 18.57 95.00 22.57 17.72 96.30 20.36 18.53 95.50 19.90 17.92 96.90 21.74 19.17 97.80 21.69 2 0 -6.19-999 ?-999 ?-999 ? O1 EDO B 150s mTHR^B 128 16.63 96.69 19.71 15.98 97.21 20.26 16.46 97.76 17.63 15.79 98.71 18.03 16.40 96.38 18.34 15.04 95.73 18.07 2 0 8.95-999 ?-999 ?-999 ? O1 EDO B 150 mLEU^B 129 17.33 97.84 16.62 17.91 97.03 16.53 17.15 98.59 14.32 17.57 97.48 13.85 17.45 98.99 15.74 18.85 99.58 15.77 3 0 9.14-999 ?-999 ?-999 ? O1 EDO B 150 mVAL^B 130 16.43 99.45 13.61 16.02 100.17 14.17 17.08 100.50 11.59 17.07 101.66 12.07 16.25 99.37 12.18 14.75 99.50 11.74 3 0 12.69-999 ?-999 ?-999 ? O1 EDO B 150 mLEU^B 131 17.87 100.16 10.59 17.85 99.18 10.38 18.32 101.02 8.38 18.08 99.92 7.84 18.67 101.12 9.87 20.17 100.91 10.07 3 0 13.88-999 ?-999 ?-999 ? O1 EDO B 150 mILE^B 132 18.33 102.19 7.75 18.62 102.94 8.33 19.04 103.17 5.64 19.46 104.23 6.09 17.95 102.37 6.36 16.61 103.12 6.26 3 0 17.49-999 ?-999 ?-999 ? O1 EDO B 150 mLYS^B 133 19.51 102.61 4.54 19.12 101.71 4.34 19.82 104.46 3.05 18.88 104.34 2.30 20.48 103.25 3.69 20.98 102.21 2.68 2 0 19.80-999 ?-999 ?-999 ? O1 EDO B 150 mGLN.B 134 20.31 105.64 3.39 21.07 105.58 4.03 20.21 107.12 1.43 20.99 106.35 0.88 19.81 106.90 2.89 20.37 108.03 3.80 2 0 20.20-999 ?-999 ?-999 ? O1 EDO B 148 mALA.B 135 19.64 108.12 0.79 19.06 108.67 1.39 21.30 108.40 -1.06 21.62 107.92 -2.16 19.84 108.39 -0.67 19.21 109.71 -1.09 2 0 22.10-999 ?-999 ?-999 ? O1 EDO B 148 mASP.B 136 22.16 108.92 -0.14 21.71 109.20 0.70 24.47 107.85 0.10 25.70 107.90 0.06 23.62 109.04 -0.38 24.18 110.34 0.23 2 0 22.48-999 ?-999 ?-999 ? O1 EDO B 148 mGLY.B 137 23.80 106.79 0.54 22.80 106.91 0.52 24.67 105.47 2.50 24.95 104.38 3.02 24.45 105.56 1.01-999.99-999.99-999.99 1 0 22.81-999 ?-999 ?-999 ? C1 EDO B 150 mARG.B 138 24.57 106.59 3.21 24.32 107.42 2.70 23.70 105.78 5.37 22.50 106.01 5.16 24.82 106.56 4.64 24.93 107.98 5.22 2 0 19.45-999 ?-999 ?-999 ? C1 EDO B 150 mTRP^B 139 24.09 104.87 6.26 25.08 104.73 6.35 22.69 105.06 8.19 23.54 105.59 8.93 23.12 104.17 7.03 23.71 102.89 7.59 3 0 16.60-999 ?-999 ?-999 ? O1 EDO B 150 mLYS^B 140 21.39 105.15 8.40 20.84 104.68 7.72 19.73 105.07 10.22 18.99 104.36 9.57 20.84 105.90 9.54 20.26 107.27 9.15 2 0 14.48-999 ?-999 ?-999 ? C1 EDO B 150 mILE^B 141 19.68 105.19 11.54 20.38 105.82 11.88 17.37 105.11 12.29 17.28 106.30 12.47 18.74 104.48 12.41 19.24 104.54 13.89 3 0 11.86-999 ?-999 ?-999 ? O1 EDO B 150 mTHR^B 142 16.33 104.31 11.98 16.58 103.35 11.89 13.97 104.33 12.80 12.90 104.89 12.95 14.97 104.81 11.77 14.42 104.44 10.37 2 0 14.01-999 ?-999 ?-999 ? O1 EDO B 150 mHIS^B 143 14.32 103.28 13.53 15.19 102.86 13.27 14.46 102.25 15.71 15.47 101.58 15.42 13.52 102.79 14.61 12.55 101.72 14.14 3 0 12.28-999 ?-999 ?-999 ? O1 EDO B 150 mVAL^B 144 14.10 102.52 16.95 13.27 103.06 16.99 13.80 101.49 19.10 12.70 102.06 19.32 14.83 102.10 18.13 15.51 103.28 18.87 3 0 8.92-999 ?-999 ?-999 ? O1 EDO B 150 mHIS^B 145 14.10 100.32 19.64 14.96 99.94 19.30 14.20 99.26 21.75 15.10 98.45 21.53 13.23 99.67 20.65 12.49 98.49 20.12 3 0 8.90-999 ?-999 ?-999 ? C1 EDO B 149 mTRP^B 146 14.04 99.91 22.89 13.30 100.58 22.88 14.04 99.05 25.16 12.88 99.44 25.39 14.86 99.68 24.06 15.44 100.99 24.61 3 0 5.71-999 ?-999 ?-999 ? C1 EDO B 149s mSER^B 147 14.66 98.11 25.86 15.57 97.87 25.52 15.09 96.94 27.99 16.31 96.92 27.76 14.03 97.50 27.04 13.00 96.41 26.66 2 0 7.04-999 ?-999 ?-999 ? C1 EDO B 149 mALA.C 23 9.28 77.17 62.78 9.30 76.60 63.60 9.72 77.21 60.35 9.18 77.36 59.29 9.24 78.02 61.54 10.06 79.25 61.68 2 0 12.33-999 ?-999 ?-999 ? C2 EDO C 150 mPHE^C 24 10.79 76.43 60.53 11.31 76.67 61.35 11.08 74.01 60.37 11.97 73.68 61.14 11.16 75.34 59.61 12.55 75.54 59.00 3 0 11.45-999 ?-999 ?-999 ? O2 EDO C 150 mILE^C 25 10.00 73.27 60.17 9.38 73.64 59.48 9.33 70.93 59.92 8.47 71.15 59.08 9.74 72.04 60.90 8.59 72.25 61.90 3 0 13.33-999 ?-999 ?-999 ? O2 EDO C 150 mGLY.C 26 9.95 69.75 60.07 10.63 69.76 60.80 10.07 68.60 57.79 9.68 67.73 56.98 9.64 68.56 59.24-999.99-999.99-999.99 1 0 14.03-999 ?-999 ?-999 ? O2 EDO C 150 mVAL.C 27 10.87 69.59 57.45 11.14 70.17 58.22 12.16 68.64 55.54 12.15 68.34 54.35 11.31 69.80 56.06 12.11 71.13 55.92 3 0 11.64-999 ?-999 ?-999 ? O2 EDO C 150 mASP.C 28 12.85 67.99 56.45 12.68 68.33 57.38 13.06 65.51 56.25 13.72 64.48 56.24 13.75 66.88 56.14 15.02 66.93 57.01 2 0 14.91-999 ?-999 ?-999 ? O2 EDO C 150 mSER~C 29 11.74 65.49 56.37 11.30 66.38 56.46 11.08 63.64 54.94 11.45 64.31 53.98 11.04 64.24 56.35 9.58 64.45 56.78 2 0 15.52-999 ?-999 ?-999 ? O2 EDO C 151 mALA~C 30 10.63 62.40 54.83 10.38 61.98 55.71 9.50 62.45 52.66 9.74 62.65 51.46 10.51 61.72 53.54 10.13 60.24 53.75 2 0 13.01-999 ?-999 ?-999 ? O2 EDO C 151 mALA~C 31 8.38 62.89 53.24 8.25 62.55 54.17 8.12 65.11 52.08 7.85 65.60 50.98 7.44 63.80 52.54 6.21 64.11 53.40 2 0 12.94-999 ?-999 ?-999 ? O2 EDO C 151 mGLY~C 32 8.99 65.66 52.92 9.07 65.20 53.80 10.66 66.68 51.38 10.94 67.65 50.66 9.74 66.85 52.55-999.99-999.99-999.99 1 0 12.14-999 ?-999 ?-999 ? O2 EDO C 150 mASN~C 33 11.13 65.47 51.15 10.89 64.79 51.84 11.15 65.56 48.66 11.65 66.28 47.80 11.94 65.20 49.95 12.41 63.73 49.89 2 0 13.50-999 ?-999 ?-999 ? O1 EDO C 148 mVAL~C 34 9.90 65.10 48.60 9.62 64.58 49.41 8.67 66.78 47.30 8.62 67.27 46.18 9.02 65.32 47.46 7.75 64.40 47.54 3 0 11.67-999 ?-999 ?-999 ? O1 EDO C 148 mVAL~C 35 8.39 67.48 48.41 8.39 66.93 49.25 9.31 69.65 47.82 9.16 70.43 46.86 8.10 68.90 48.39 7.62 69.45 49.80 3 0 8.36-999 ?-999 ?-999 ? O1 EDO C 148 mLYS~C 36 10.53 69.36 48.33 10.54 68.69 49.08 11.95 69.70 46.33 12.34 70.58 45.56 11.73 70.00 47.81 12.97 69.56 48.59 2 0 8.96-999 ?-999 ?-999 ? O1 EDO C 148 mGLN~C 37 11.77 68.45 45.93 11.53 67.81 46.66 10.91 68.83 43.65 11.24 69.32 42.58 11.92 68.09 44.51 11.75 66.58 44.35 2 0 9.86-999 ?-999 ?-999 ? C2 EDO C 148 mPHE~C 38 9.66 68.89 44.13 9.56 68.41 44.99 8.91 71.08 43.29 8.83 71.62 42.16 8.56 69.59 43.46 7.24 69.36 44.22 3 0 7.23-999 ?-999 ?-999 ? C2 EDO C 148 mHIS~C 39 9.25 71.76 44.38 9.21 71.23 45.23 10.79 73.40 43.27 10.74 74.31 42.43 9.65 73.17 44.27 10.06 73.70 45.66 3 0 -4.37-999 ?-999 ?-999 ? C2 EDO C 148s mALA~C 40 11.83 72.61 43.38 11.74 71.92 44.10 12.64 72.45 41.05 13.07 73.17 40.13 13.01 72.76 42.52 14.11 71.85 43.01 2 0 7.01-999 ?-999 ?-999 ? C2 EDO C 148 mALA~C 41 11.82 71.44 40.85 11.49 70.99 41.68 10.67 72.15 38.79 10.82 72.36 37.59 11.45 71.05 39.51 10.63 69.71 39.54 2 0 7.99-999 ?-999 ?-999 ? C2 EDO C 148 mLEU~C 42 9.80 72.83 39.51 9.75 72.56 40.48 9.85 75.11 38.63 9.71 75.77 37.60 8.99 73.89 38.92 7.85 74.32 39.84 3 0 5.49-999 ?-999 ?-999 ? C2 EDO C 148 mGLN~C 43 10.76 75.39 39.55 10.75 74.76 40.32 12.71 76.31 38.34 13.17 77.27 37.75 11.67 76.52 39.43 12.31 76.83 40.81 2 0 -5.87-999 ?-999 ?-999 ? C2 EDO C 148s mMETC 44 13.08 75.07 38.06 12.59 74.37 38.58 13.58 74.28 35.74 14.35 74.19 34.76 14.11 74.76 37.07 15.10 73.75 37.67 2 0 9.46-999 ?-999 ?-999 ? C2 EDO C 148 mGLY~C 45 12.28 73.99 35.66 11.78 74.13 36.51 11.86 72.01 34.13 12.11 71.63 32.98 11.67 73.50 34.42-999.99-999.99-999.99 1 0 10.42-999 ?-999 ?-999 ? C2 EDO C 148 mASN~C 46 11.75 71.16 35.16 11.55 71.62 36.03 10.52 69.05 35.07 9.98 68.76 36.12 11.90 69.70 35.01 12.82 69.13 36.09 2 0 11.80-999 ?-999 ?-999 ? C2 EDO C 148 mGLU~C 47 9.95 68.84 33.89 10.52 69.07 33.11 8.45 66.94 34.45 7.45 66.65 35.15 8.59 68.31 33.79 8.19 68.25 32.32 2 0 12.76-999 ?-999 ?-999 ? C2 EDO C 148 mALA~C 48 9.45 66.10 34.26 10.22 66.48 33.75 9.26 64.66 36.30 8.50 63.85 36.83 9.40 64.74 34.78 10.62 63.98 34.36 2 0 14.85-999 ?-999 ?-999 ? C2 EDO C 148 mILE~C 49 10.02 65.50 36.99 10.54 66.15 36.45 8.78 66.07 39.00 8.28 65.66 40.04 10.05 65.43 38.45 11.35 66.02 39.02 3 0 12.59-999 ?-999 ?-999 ? C2 EDO C 148 mVAL~C 50 8.24 67.07 38.29 8.79 67.39 37.52 5.89 66.51 38.52 5.04 66.29 39.42 6.94 67.63 38.66 6.56 68.89 37.82 3 0 10.20-999 ?-999 ?-999 ? C2 EDO C 148 mARG~C 51 5.91 65.77 37.41 6.60 66.04 36.74 5.11 63.57 38.33 4.14 63.05 38.87 4.93 64.66 37.27 5.01 64.02 35.90 2 0 13.67-999 ?-999 ?-999 ? C2 EDO C 148 mGLN~C 52 6.36 63.24 38.66 7.07 63.71 38.14 6.08 62.73 41.06 5.68 61.92 41.87 6.63 62.27 39.71 8.14 62.04 39.83 2 0 14.88-999 ?-999 ?-999 ? C2 EDO C 148 mSER~C 53 6.09 64.04 41.31 6.35 64.61 40.54 4.21 64.60 42.90 3.75 64.57 44.05 5.74 64.56 42.65 6.32 65.93 42.83 2 0 12.10-999 ?-999 ?-999 ? O1 EDO C 148 mLEU^C 54 3.46 64.74 41.81 3.99 64.71 40.96 1.25 63.60 41.58 1.65 62.79 40.73 1.99 64.90 41.83 1.57 65.92 40.77 3 0 12.32-999 ?-999 ?-999 ? O2 EDO D 148 mALA^C 55 0.14 63.43 42.29 0.00 64.11 43.00 -1.48 62.54 40.68 -1.63 63.69 40.24 -0.79 62.33 42.04 -1.79 62.24 43.20 2 0 10.86-999 ?-999 ?-999 ? O2 EDO D 148 mALA^C 56 -1.87 61.44 40.01 -1.65 60.57 40.45 -3.79 62.38 38.86 -4.13 63.14 37.97 -2.56 61.53 38.73 -2.95 60.12 38.20 2 0 12.63-999 ?-999 ?-999 ? O2 EDO D 148 mASN^C 57 -4.47 62.26 39.99 -4.08 61.61 40.64 -5.49 64.26 41.15 -6.39 64.66 41.85 -5.68 63.04 40.23 -6.74 62.10 40.81 2 0 9.68-999 ?-999 ?-999 ? O2 EDO D 148 mVAL^C 58 -4.29 64.83 41.18 -3.59 64.39 40.61 -5.06 67.09 41.66 -5.47 67.24 40.52 -4.04 66.00 41.99 -2.57 66.51 41.79 3 0 7.94-999 ?-999 ?-999 ? O2 EDO D 148 mGLN^C 59 -5.52 67.82 42.69 -5.25 67.46 43.59 -5.43 70.23 42.76 -4.66 70.27 43.70 -6.32 69.00 42.56 -7.38 68.97 43.63 2 0 6.86-999 ?-999 ?-999 ? O2 EDO D 148 mILE^C 60 -5.47 71.19 41.83 -6.08 70.98 41.07 -5.66 73.65 42.10 -6.53 73.87 41.25 -4.70 72.44 41.94 -3.77 72.69 40.70 3 0 9.49-999 ?-999 ?-999 ? O2 EDO D 148 mTYR^C 61 -5.50 74.40 43.19 -4.81 74.04 43.81 -5.32 76.84 43.27 -4.34 77.00 44.00 -6.24 75.64 43.46 -6.70 75.66 44.92 3 0 10.48-999 ?-999 ?-999 ? O2 EDO D 148 mGLU^C 62 -5.66 77.72 42.31 -6.44 77.44 41.75 -5.84 80.04 41.45 -6.53 79.74 40.51 -4.94 78.99 42.13 -3.65 78.82 41.31 2 0 11.21-999 ?-999 ?-999 ? C1 EDO C 148 mGLY.C 63 -5.84 81.27 41.94 -5.35 81.35 42.81 -7.96 82.16 40.91 -8.45 82.55 39.85 -6.51 82.38 41.25-999.99-999.99-999.99 1 0 13.78-999 ?-999 ?-999 ? O1 EDO C 150 mGLY.C 64 -8.69 81.54 41.82 -8.19 81.23 42.63 -10.40 80.18 40.69 -11.56 79.95 40.36 -10.10 81.34 41.62-999.99-999.99-999.99 1 0 16.12-999 ?-999 ?-999 ? C1 EDO D 148 mLYS^C 65 -9.36 79.44 40.27 -8.49 79.72 40.67 -9.03 76.99 39.91 -8.04 76.97 40.61 -9.50 78.33 39.33 -8.67 78.64 38.08 2 0 15.03-999 ?-999 ?-999 ? O2 EDO D 148 mVAL^C 66 -9.76 75.90 39.62 -10.61 76.12 39.14 -9.03 73.61 38.74 -9.78 73.53 37.76 -9.37 74.52 39.96 -10.41 73.76 40.88 3 0 11.85-999 ?-999 ?-999 ? O2 EDO D 148 mGLU^C 67 -7.91 72.90 38.84 -7.34 73.16 39.62 -7.60 70.57 38.67 -7.25 70.56 39.84 -7.55 71.85 37.89 -6.20 72.11 37.27 2 0 12.07-999 ?-999 ?-999 ? O2 EDO D 148 mARG.C 68 -8.10 69.51 38.02 -8.23 69.66 37.04 -7.61 67.02 38.37 -7.88 65.96 38.92 -8.44 68.25 38.69 -9.86 67.95 38.38 2 0 10.28-999 ?-999 ?-999 ? O2 EDO D 148 mSER~C 69 -6.57 67.16 37.57 -6.47 68.07 37.17 -4.30 66.55 36.90 -4.15 67.70 36.51 -5.66 66.04 37.32 -6.23 65.11 36.21 2 0 11.79-999 ?-999 ?-999 ? O2 EDO D 148 mLEU~C 70 -3.30 65.67 37.00 -3.56 64.80 37.43 -1.96 66.28 35.05 -1.36 67.27 34.68 -1.95 65.92 36.55 -1.05 64.71 36.88 3 0 13.72-999 ?-999 ?-999 ? O2 EDO D 148 mTHR~C 71 -2.68 65.54 34.21 -3.17 64.78 34.63 -3.22 67.29 32.50 -2.60 68.07 31.77 -2.70 65.87 32.75 -3.57 64.92 31.91 2 0 16.96-999 ?-999 ?-999 ? O2 EDO D 148 mGLU~C 72 -4.32 67.64 33.15 -4.71 66.93 33.75 -3.87 70.05 33.33 -3.58 70.95 32.52 -4.89 68.97 32.97 -6.16 69.15 33.79 2 0 16.32-999 ?-999 ?-999 ? O2 EDO D 148 mTYR~C 73 -3.35 69.98 34.55 -3.73 69.25 35.11 -1.11 70.96 34.03 -0.68 72.04 33.63 -2.29 70.89 35.02 -1.77 70.49 36.44 3 0 13.35-999 ?-999 ?-999 ? C1 EDO C 148 mALA~C 74 -0.59 69.79 33.68 -1.14 69.01 33.99 0.64 70.33 31.51 1.62 71.00 31.12 0.65 69.67 32.90 1.06 68.16 32.81 2 0 14.02-999 ?-999 ?-999 ? C1 EDO C 148 mASN~C 75 -0.49 70.33 30.81 -1.29 69.98 31.29 -0.46 72.29 29.20 -0.02 72.78 28.18 -0.51 70.81 29.43 -1.67 70.25 28.67 2 0 16.84-999 ?-999 ?-999 ? C1 EDO C 148 mHIS~C 76 -0.89 73.03 30.17 -1.24 72.53 30.96 -0.31 75.17 31.25 0.75 75.84 31.21 -0.83 74.47 30.01 -2.21 75.00 29.63 3 0 15.57-999 ?-999 ?-999 ? C1 EDO C 148 mHIS~C 77 -1.03 75.03 32.37 -1.78 74.38 32.29 0.73 75.53 34.06 1.41 76.46 34.46 -0.71 75.77 33.58 -1.74 75.38 34.67 3 0 12.26-999 ?-999 ?-999 ? C1 EDO C 148 mMETC 78 1.18 74.29 34.04 0.55 73.62 33.64 3.56 74.76 33.81 4.48 75.29 34.41 2.50 73.95 34.57 2.78 72.46 34.40 2 0 10.27-999 ?-999 ?-999 ? C1 EDO C 148 mLEU~C 79 3.41 74.86 32.51 2.59 74.41 32.16 4.37 77.07 31.94 5.38 77.67 32.00 4.36 75.59 31.70 4.09 75.30 30.27 3 0 12.02-999 ?-999 ?-999 ? C2 EDO C 148 mALA~C 80 3.22 77.67 32.05 2.43 77.09 31.85 3.82 79.31 33.79 4.54 80.33 33.96 3.15 79.07 32.43 1.65 79.58 32.40 2 0 11.88-999 ?-999 ?-999 ? C2 EDO C 148 mASP~C 81 3.59 78.39 34.75 2.99 77.63 34.49 5.70 78.48 35.97 6.38 79.31 36.58 4.17 78.48 36.06 3.68 77.34 36.99 2 0 8.08-999 ?-999 ?-999 ? C2 EDO C 148 mMETC 82 6.22 77.56 35.19 5.55 76.96 34.76 8.23 78.69 34.36 9.31 79.14 34.75 7.64 77.43 35.00 7.92 76.20 34.13 2 0 8.35-999 ?-999 ?-999 ? C2 EDO C 148 mALA~C 83 7.53 79.27 33.39 6.68 78.80 33.16 7.99 81.62 33.74 8.94 82.39 33.86 8.02 80.49 32.74 7.18 80.82 31.51 2 0 11.26-999 ?-999 ?-999 ? C2 EDO C 148 mTYR~C 84 6.92 81.69 34.51 6.23 80.99 34.34 7.90 82.67 36.54 8.48 83.70 36.89 6.77 82.72 35.51 5.37 82.60 36.15 3 0 9.87-999 ?-999 ?-999 ? C2 EDO C 148 mLEU~C 85 8.22 81.46 37.01 7.72 80.70 36.61 10.69 81.44 37.51 11.61 81.75 38.28 9.24 81.29 38.04 9.02 79.93 38.72 3 0 7.03-999 ?-999 ?-999 ? O2 EDO C 148 mLYS~C 86 10.89 81.32 36.19 10.06 81.31 35.64 13.17 82.31 36.17 14.26 82.02 36.71 12.26 81.20 35.65 12.28 81.20 34.10 2 0 9.95-999 ?-999 ?-999 ? O2 EDO C 148 mGLY~C 87 12.70 83.55 36.04 11.82 83.59 35.58 12.89 85.40 37.79 12.64 86.64 37.82 13.45 84.73 36.53-999.99-999.99-999.99 1 0 11.56-999 ?-999 ?-999 ? O2 EDO C 148 mLEU^C 88 12.62 84.57 38.81 12.70 83.61 38.56 13.20 84.37 41.12 13.72 83.28 40.90 12.24 85.02 40.14 10.81 84.57 40.56 3 0 9.25-999 ?-999 ?-999 ? O2 EDO C 148 mTHR^C 89 13.46 85.05 42.23 13.13 85.99 42.25 13.07 84.08 44.29 12.22 84.92 44.60 14.18 84.42 43.30 15.28 85.30 43.89 2 0 9.11-999 ?-999 ?-999 ? O2 EDO C 148 mILE^C 90 13.03 82.83 44.74 13.74 82.23 44.37 12.72 82.09 46.99 13.51 81.13 47.03 12.00 82.42 45.69 11.20 81.23 45.18 3 0 6.38-999 ?-999 ?-999 ? O2 EDO C 148 mTHR^C 91 12.55 82.93 48.02 11.94 83.70 47.84 12.28 82.17 50.40 11.40 82.86 50.86 13.22 82.71 49.28 13.87 83.98 49.74 2 0 7.96-999 ?-999 ?-999 ? O2 EDO C 150 mPRO^C 92 12.48 80.90 50.83 13.20 80.39 50.35 11.73 81.20 53.16 12.78 81.62 53.60 11.67 80.36 51.91 12.26 78.96 52.15 3 0 5.97-999 ?-999 ?-999 ? O2 EDO C 150 mLYS^C 93 10.59 81.50 53.70 9.78 81.17 53.21 10.09 81.34 56.06 10.56 81.47 57.16 10.52 82.25 54.92 9.57 83.46 54.77 2 0 7.81-999 ?-999 ?-999 ? C2 EDO C 150 mGLU^C 94 9.14 80.45 55.78 8.73 80.53 54.87 8.20 78.26 56.05 7.69 78.34 54.92 8.77 79.45 56.75 7.77 79.99 57.72 2 0 7.65-999 ?-999 ?-999 ? C2 EDO C 150 mHIS^C 95 8.33 77.13 56.72 8.74 77.23 57.62 7.70 74.82 57.20 8.65 74.46 57.90 7.89 75.86 56.13 8.90 75.35 55.10 3 0 7.15-999 ?-999 ?-999 ? O2 EDO C 150 mGLN^C 96 6.48 74.34 57.34 5.80 74.79 56.76 5.53 72.07 57.52 4.69 72.32 56.69 6.18 73.24 58.28 5.23 73.72 59.35 2 0 10.12-999 ?-999 ?-999 ? O2 EDO C 150 mILE^C 97 5.99 70.85 57.76 6.82 70.82 58.32 5.02 68.81 58.51 5.89 68.54 59.36 5.36 69.65 57.26 6.23 68.82 56.33 3 0 11.63-999 ?-999 ?-999 ? O2 EDO C 150 mTHR^C 98 3.75 68.45 58.60 3.21 68.76 57.82 2.64 66.38 59.15 1.86 66.41 58.20 3.18 67.67 59.72 2.02 68.43 60.39 2 0 11.43-999 ?-999 ?-999 ? O1 EDO C 149 mILE^C 99 3.04 65.26 59.74 3.62 65.39 60.54 1.67 63.30 60.21 1.96 63.19 61.40 2.64 63.94 59.22 3.84 62.99 59.02 3 0 8.55-999 ?-999 ?-999 ? C1 EDO C 149 mTHR^C 100 0.50 62.93 59.71 0.39 63.14 58.74 -0.87 60.99 59.75 -1.58 61.02 58.76 -0.54 62.27 60.50 -1.80 63.16 60.67 2 0 -5.04-999 ?-999 ?-999 ? O1 EDO C 149s mGLY.C 101 -0.29 59.88 60.18 0.23 59.99 61.03 0.21 58.67 58.10 1.40 58.98 57.94 -0.40 58.61 59.48-999.99-999.99-999.99 1 0 -3.78-999 ?-999 ?-999 ? O2 EDO C 149s mASP.C 102 -0.58 58.36 57.08 -1.52 58.12 57.35 -0.47 59.68 54.99 -0.47 59.74 53.77 -0.10 58.38 55.70 -0.70 57.21 54.93 2 0 3.44-999 ?-999 ?-999 ? O2 EDO C 149s mILE^C 103 -0.75 60.72 55.77 -0.70 60.50 56.74 -0.11 63.07 55.76 0.18 63.13 56.95 -1.10 62.05 55.24 -2.50 62.56 55.61 3 0 5.25-999 ?-999 ?-999 ? O2 EDO C 149 mALA^C 104 0.41 63.86 54.83 0.13 63.66 53.89 0.69 66.27 54.80 0.16 66.42 53.71 1.31 64.91 55.19 2.63 64.68 54.45 2 0 8.77-999 ?-999 ?-999 ? C1 EDO C 149 mILE^C 105 0.78 67.25 55.69 1.13 66.98 56.58 1.63 69.52 55.36 2.31 69.65 56.40 0.39 68.61 55.35 -0.63 69.18 56.33 3 0 10.66-999 ?-999 ?-999 ? C2 EDO D 148 mSER^C 106 1.90 70.14 54.21 1.29 69.90 53.46 2.45 72.50 53.90 1.70 72.77 52.98 3.00 71.09 54.07 3.88 70.71 52.90 2 0 9.21-999 ?-999 ?-999 ? O2 EDO C 150 mTHR^C 107 2.85 73.42 54.77 3.45 73.06 55.48 3.69 75.69 54.66 4.59 75.49 55.50 2.42 74.84 54.69 1.49 75.22 55.88 2 0 7.16-999 ?-999 ?-999 ? C2 EDO C 150 mSER^C 108 3.82 76.54 53.62 3.05 76.55 52.98 4.68 78.76 52.90 3.64 78.99 52.24 4.99 77.37 53.45 6.04 76.68 52.60 2 0 -4.05-999 ?-999 ?-999 ? C2 EDO C 150s mILE^C 109 5.54 79.69 53.30 6.21 79.34 53.96 6.92 81.38 52.34 7.93 81.05 52.97 5.53 81.06 52.86 5.18 82.07 53.94 3 0 -3.69-999 ?-999 ?-999 ? C2 EDO C 150s mSER^C 110 6.95 81.93 51.14 6.04 82.04 50.73 8.13 83.75 49.97 7.05 84.31 49.72 8.20 82.34 50.51 8.59 81.34 49.43 2 0 -4.25-999 ?-999 ?-999 ? C1 EDO C 150s mHIS^C 111 9.29 84.38 49.86 10.09 83.86 50.18 9.79 85.63 47.84 10.85 85.11 47.51 9.37 85.72 49.31 10.37 86.52 50.16 3 0 7.15-999 ?-999 ?-999 ? C1 EDO C 150 mALA^C 112 8.92 86.10 46.94 8.08 86.46 47.33 9.61 87.49 45.10 8.94 88.46 45.40 9.19 86.08 45.52 7.97 85.61 44.73 2 0 7.95-999 ?-999 ?-999 ? C1 EDO C 150 mGLN^C 113 10.73 87.55 44.40 11.14 86.66 44.21 11.78 88.64 42.52 12.48 87.68 42.20 11.30 88.79 43.94 12.51 89.17 44.79 2 0 11.56-999 ?-999 ?-999 ? O2 EDO C 148 mGLY^C 114 11.41 89.57 41.67 10.79 90.27 42.03 10.96 90.33 39.40 10.39 91.33 39.79 11.88 89.54 40.30-999.99-999.99-999.99 1 0 12.97-999 ?-999 ?-999 ? O2 EDO C 148 mGLU^C 115 10.81 89.85 38.18 11.34 89.03 37.97 9.38 89.47 36.31 10.03 88.46 36.06 9.93 90.51 37.26 10.69 91.58 36.48 2 0 9.34-999 ?-999 ?-999 ? O2 EDO A 148 mTYR^C 116 8.19 89.75 35.77 7.76 90.58 36.13 6.69 89.80 33.90 5.88 90.58 34.42 7.58 88.91 34.75 6.79 87.72 35.35 3 0 6.84-999 ?-999 ?-999 ? O2 EDO A 148 mLYS.C 117 6.85 89.68 32.59 7.54 89.00 32.34 6.12 91.96 31.92 5.10 92.61 31.87 6.10 90.46 31.61 4.68 89.91 31.48 2 0 -3.45-999 ?-999 ?-999 ? O2 EDO A 148s mGLY.C 118 7.30 92.48 32.23 8.03 91.80 32.28 6.88 94.47 33.75 6.75 95.68 33.89 7.50 93.91 32.48-999.99-999.99-999.99 1 0 4.72-999 ?-999 ?-999 ? O2 EDO A 148 mLYS^C 119 6.48 93.59 34.65 6.62 92.64 34.37 6.80 93.47 37.02 7.18 92.30 37.04 5.89 93.95 35.92 4.53 93.31 36.07 2 0 7.94-999 ?-999 ?-999 ? O2 EDO A 148 mSER^C 120 7.16 94.35 37.95 6.78 95.26 37.82 7.26 93.13 40.05 6.10 93.40 40.31 8.02 93.96 39.06 8.58 95.18 39.78 2 0 10.94-999 ?-999 ?-999 ? O2 EDO A 148 mILE^C 121 7.92 92.14 40.62 8.88 92.06 40.33 8.07 91.32 42.88 9.31 91.26 42.89 7.30 91.25 41.58 7.28 89.81 41.07 3 0 13.14-999 ?-999 ?-999 ? O2 EDO A 148 mASP^C 122 7.33 91.50 43.97 6.35 91.58 43.78 6.76 91.23 46.25 5.98 92.10 46.64 7.90 91.56 45.30 8.51 92.94 45.56 2 0 12.42-999 ?-999 ?-999 ? C1 EDO C 150 mSER^C 123 6.63 89.96 46.61 7.35 89.34 46.29 5.71 88.31 48.17 6.64 87.55 47.90 5.49 89.58 47.41 4.26 89.43 46.52 2 0 9.78-999 ?-999 ?-999 ? C1 EDO C 150 mMETC 124 4.86 88.08 49.16 4.18 88.81 49.30 3.95 85.86 49.40 2.73 86.05 49.54 4.93 86.86 49.95 4.61 87.14 51.43 2 0 7.12-999 ?-999 ?-999 ? C1 EDO C 150 mTHR^C 125 4.47 84.79 48.81 5.47 84.78 48.81 3.36 82.63 49.27 4.15 82.40 50.19 3.64 83.73 48.21 4.33 83.12 46.98 2 0 -4.22-999 ?-999 ?-999 ? C1 EDO C 150s mMETC 126 2.21 81.99 49.17 1.65 82.26 48.38 1.45 79.66 49.46 0.95 79.62 48.31 1.81 80.99 50.14 0.60 81.46 50.96 2 0 3.97-999 ?-999 ?-999 ? C1 EDO C 150 mGLU^C 127 1.69 78.57 50.19 2.05 78.74 51.11 1.01 76.27 50.71 1.68 76.13 51.77 1.44 77.24 49.63 2.69 76.68 48.90 2 0 -4.51-999 ?-999 ?-999 ? C2 EDO C 150s mTHR^C 128 -0.12 75.61 50.43 -0.61 75.96 49.64 -0.61 73.25 50.34 -1.26 73.23 49.28 -0.58 74.46 51.24 -1.97 74.70 51.88 2 0 7.80-999 ?-999 ?-999 ? C2 EDO C 150 mLEU^C 129 0.12 72.22 50.74 0.68 72.40 51.55 -0.41 69.83 50.94 -0.09 69.83 52.14 0.07 70.95 50.04 1.44 70.54 49.50 3 0 9.11-999 ?-999 ?-999 ? O2 EDO D 148 mVAL^C 130 -1.20 68.91 50.35 -1.54 69.19 49.45 -0.80 66.54 50.19 -0.80 66.51 48.95 -1.54 67.62 50.94 -3.07 67.33 50.93 3 0 6.79-999 ?-999 ?-999 ? O2 EDO D 148 mLEU^C 131 -0.12 65.69 50.95 -0.14 65.92 51.92 0.07 63.26 51.01 -0.33 63.26 52.17 0.60 64.53 50.37 2.11 64.58 50.53 3 0 8.98-999 ?-999 ?-999 ? O2 EDO D 148 mILE^C 132 0.00 62.20 50.21 0.30 62.37 49.27 0.62 59.88 50.38 1.27 59.95 49.34 -0.47 60.91 50.68 -1.86 60.58 50.07 3 0 7.70-999 ?-999 ?-999 ? O2 EDO C 149 mLYS^C 133 0.86 59.00 51.35 0.25 59.07 52.14 1.37 56.78 50.61 0.36 56.25 51.08 1.94 58.01 51.25 2.54 57.65 52.60 2 0 5.79-999 ?-999 ?-999 ? C2 EDO C 151 mGLN.C 134 2.02 56.34 49.55 2.86 56.84 49.34 2.14 53.94 49.38 3.14 54.00 50.10 1.55 55.21 48.78 1.95 55.38 47.32 2 0 -4.68-999 ?-999 ?-999 ? C2 EDO C 151s mALA.C 135 1.54 52.79 49.09 0.77 52.89 48.45 3.47 51.26 49.39 4.18 50.70 50.24 1.99 51.52 49.66 1.14 50.33 49.13 2 0 -3.37-999 ?-999 ?-999 ? C2 EDO C 151s mASP.C 136 3.91 51.67 48.20 3.21 52.09 47.63 6.25 52.51 48.48 7.45 52.51 48.22 5.31 51.51 47.80 5.45 51.49 46.26 2 0 6.82-999 ?-999 ?-999 ? C2 EDO C 151 mGLY.C 137 5.71 53.33 49.37 4.71 53.28 49.43 6.74 55.59 49.57 7.36 56.43 50.19 6.50 54.23 50.19-999.99-999.99-999.99 1 0 6.33-999 ?-999 ?-999 ? O2 EDO C 151 mARG.C 138 6.25 55.81 48.34 5.84 55.00 47.93 5.25 58.09 48.19 4.07 57.74 48.28 6.31 57.12 47.69 6.10 57.02 46.18 2 0 8.84-999 ?-999 ?-999 ? C2 EDO C 151 mTRP^C 139 5.68 59.31 48.47 6.67 59.41 48.43 4.34 61.12 47.53 5.19 61.43 46.69 4.75 60.38 48.80 5.41 61.32 49.81 3 0 9.66-999 ?-999 ?-999 ? C2 EDO C 151 mLYS^C 140 3.03 61.37 47.37 2.47 61.02 48.12 1.61 63.21 46.68 0.80 63.04 47.59 2.48 62.07 46.22 1.57 61.17 45.37 2 0 11.58-999 ?-999 ?-999 ? C2 EDO C 151 mILE^C 141 1.71 64.32 45.97 2.37 64.27 45.23 -0.44 65.33 45.62 -0.54 65.11 44.42 0.91 65.50 46.25 1.62 66.80 45.67 3 0 9.33-999 ?-999 ?-999 ? O2 EDO D 148 mTHR^C 142 -1.48 65.51 46.44 -1.21 65.78 47.36 -3.70 66.60 45.97 -4.73 66.63 45.36 -2.88 65.32 46.02 -3.59 64.29 46.94 2 0 6.00-999 ?-999 ?-999 ? O2 EDO D 148 mHIS^C 143 -3.25 67.65 46.65 -2.40 67.44 47.14 -2.84 70.06 46.85 -1.89 69.88 47.63 -3.90 68.96 46.69 -4.84 69.09 47.85 3 0 5.07-999 ?-999 ?-999 ? O2 EDO D 148 mVAL^C 144 -2.96 71.10 46.02 -3.74 71.00 45.40 -2.98 73.46 46.03 -4.00 73.53 45.28 -2.09 72.26 45.97 -1.28 72.30 44.65 3 0 8.51-999 ?-999 ?-999 ? O2 EDO D 148 mHIS^C 145 -2.68 74.35 46.97 -1.95 74.04 47.58 -2.24 76.66 47.09 -1.41 76.71 48.00 -3.38 75.64 47.11 -4.24 75.77 48.41 3 0 9.44-999 ?-999 ?-999 ? O1 EDO C 150 mTRP^C 146 -2.26 77.48 46.06 -2.99 77.27 45.41 -1.98 79.95 45.92 -3.05 80.20 45.26 -1.33 78.57 45.87 -0.64 78.42 44.51 3 0 -6.91-999 ?-999 ?-999 ? O1 EDO C 150s mSER^C 147 -1.30 80.87 46.60 -0.49 80.52 47.07 -0.54 83.21 46.87 0.58 82.75 47.10 -1.73 82.26 46.64 -2.79 82.48 47.73 2 0 7.69-999 ?-999 ?-999 ? C1 EDO C 150 mALA.D 23 -28.13 62.74 54.12 -29.06 62.39 54.00 -25.87 62.82 53.13 -26.03 61.72 52.62 -26.75 63.27 54.28 -26.12 62.81 55.65 2 0 16.95-999 ?-999 ?-999 ? O1 EDO D 148 mPHE.D 24 -24.94 63.68 52.73 -24.99 64.55 53.22 -22.60 63.03 52.27 -22.18 63.60 53.26 -23.95 63.38 51.67 -23.79 64.59 50.71 3 0 13.65-999 ?-999 ?-999 ? O1 EDO D 148 mILE.D 25 -21.90 62.10 51.65 -22.36 61.68 50.86 -19.63 62.94 52.28 -19.52 63.81 51.39 -20.57 61.73 52.12 -19.89 60.65 51.24 3 0 -11.07-999 ?-999 ?-999 ? O1 EDO D 148s mGLY.D 26 -18.97 62.97 53.43 -19.26 62.29 54.09 -18.42 65.29 54.09 -18.16 65.78 55.20 -17.92 63.91 53.71-999.99-999.99-999.99 1 0 -8.63-999 ?-999 ?-999 ? O1 EDO D 148s mVAL.D 27 -19.12 65.93 53.15 -19.27 65.41 52.31 -20.60 67.34 54.57 -20.75 68.39 55.20 -19.59 67.31 53.39 -20.18 67.93 52.11 3 0 9.75-999 ?-999 ?-999 ? O1 EDO D 148 mASP.D 28 -21.26 66.21 54.80 -21.09 65.50 54.12 -21.58 64.89 56.78 -22.00 63.73 56.68 -22.16 66.02 55.92 -23.56 65.66 55.45 2 0 13.12-999 ?-999 ?-999 ? O1 EDO D 148 mSER~D 29 -20.48 65.19 57.44 -20.09 66.06 57.15 -19.72 65.26 59.72 -19.97 66.48 59.62 -19.89 64.37 58.49 -18.54 63.87 58.04 2 0 13.00-999 ?-999 ?-999 ? O1 EDO D 148 mALA~D 30 -19.26 64.71 60.84 -19.16 63.71 60.81 -17.88 66.59 61.56 -18.03 67.77 61.87 -18.94 65.52 61.99 -18.46 64.66 63.16 2 0 15.03-999 ?-999 ?-999 ? O1 EDO D 148 mALA~D 31 -16.84 66.21 60.79 -16.80 65.22 60.60 -16.51 68.25 59.37 -16.30 69.49 59.50 -15.85 67.22 60.29 -14.61 66.56 59.58 2 0 12.00-999 ?-999 ?-999 ? C1 EDO D 148 mGLY~D 32 -17.36 67.75 58.48 -17.46 66.76 58.50 -18.92 69.62 58.32 -19.04 70.79 57.90 -18.07 68.62 57.56-999.99-999.99-999.99 1 0 11.18-999 ?-999 ?-999 ? C1 EDO D 148 mASN~D 33 -19.51 69.18 59.42 -19.31 68.22 59.61 -19.60 71.25 60.88 -20.09 72.38 60.92 -20.37 70.09 60.23 -21.19 69.30 61.22 2 0 14.87-999 ?-999 ?-999 ? C1 EDO D 148 mVAL~D 34 -18.38 71.00 61.31 -18.11 70.04 61.24 -17.23 73.11 60.76 -17.25 74.29 61.04 -17.52 72.07 61.85 -16.25 71.50 62.49 3 0 14.93-999 ?-999 ?-999 ? C1 EDO D 148 mVAL~D 35 -16.93 72.67 59.53 -16.86 71.68 59.45 -17.97 74.42 58.21 -17.89 75.61 58.17 -16.72 73.58 58.43 -16.35 72.81 57.10 3 0 12.52-999 ?-999 ?-999 ? C1 EDO D 148 mLYS~D 36 -19.13 73.80 58.14 -19.09 72.80 58.21 -20.60 75.57 59.04 -21.00 76.69 58.73 -20.34 74.56 57.96 -21.53 73.62 57.97 2 0 14.90-999 ?-999 ?-999 ? C1 EDO D 148 mGLN~D 37 -20.42 75.16 60.29 -20.16 74.20 60.37 -19.63 77.19 61.41 -20.02 78.29 61.79 -20.58 76.03 61.43 -20.34 75.24 62.71 2 0 17.88-999 ?-999 ?-999 ? C1 EDO D 148 mPHE~D 38 -18.39 76.93 61.03 -18.24 75.96 60.81 -17.74 79.03 59.91 -17.73 80.24 60.18 -17.34 77.95 60.94 -16.01 77.26 60.59 3 0 16.99-999 ?-999 ?-999 ? C1 EDO D 148 mHIS~D 39 -18.16 78.58 58.74 -18.18 77.58 58.65 -19.73 80.31 58.16 -19.72 81.53 58.02 -18.54 79.48 57.71 -18.94 78.72 56.45 3 0 16.72-999 ?-999 ?-999 ? C1 EDO D 148 mALA~D 40 -20.74 79.65 58.71 -20.61 78.66 58.81 -21.64 81.40 60.24 -22.23 82.49 60.25 -21.94 80.38 59.14 -23.06 79.38 59.58 2 0 19.88-999 ?-999 ?-999 ? C1 EDO D 148 mALA~D 41 -20.79 81.02 61.19 -20.40 80.11 61.04 -19.69 83.10 61.87 -19.91 84.20 62.42 -20.43 81.85 62.33 -19.59 81.05 63.29 2 0 21.75-999 ?-999 ?-999 ? C1 EDO D 148 mLEU~D 42 -18.80 82.95 60.89 -18.65 82.00 60.61 -19.08 85.06 59.60 -19.01 86.26 59.76 -18.11 84.12 60.31 -17.00 83.74 59.32 3 0 21.33-999 ?-999 ?-999 ? C1 EDO D 148 mGLN~D 43 -19.97 84.47 58.81 -19.89 83.47 58.78 -22.01 85.94 58.94 -22.51 86.97 58.55 -20.97 85.22 58.06 -21.66 84.31 57.03 2 0 22.44-999 ?-999 ?-999 ? C1 EDO D 148 mMETD 44 -22.31 85.37 60.11 -21.77 84.55 60.32 -22.78 86.67 62.21 -23.53 87.28 62.97 -23.33 85.92 60.99 -24.25 84.79 61.47 2 0 25.36-999 ?-999 ?-999 ? C1 EDO D 148 mGLY~D 45 -21.46 86.65 62.38 -20.97 86.12 61.68 -20.93 86.68 64.86 -21.15 87.38 65.87 -20.81 87.33 63.49-999.99-999.99-999.99 1 0 26.46-999 ?-999 ?-999 ? C1 EDO D 148 mASN~D 46 -20.80 85.36 64.89 -20.69 84.95 63.98 -19.42 84.14 66.49 -18.94 83.09 66.06 -20.83 84.59 66.12 -21.76 83.40 65.97 2 0 26.04-999 ?-999 ?-999 ? C1 EDO D 148 mGLU~D 47 -18.77 84.92 67.34 -19.30 85.68 67.72 -17.25 83.43 68.60 -16.23 82.76 68.56 -17.39 84.65 67.68 -16.71 85.92 68.25 2 0 25.94-999 ?-999 ?-999 ? C1 EDO D 148 mALA~D 48 -18.29 83.10 69.38 -19.05 83.76 69.35 -18.15 80.63 69.36 -17.33 79.75 69.67 -18.31 81.90 70.22 -19.63 81.81 71.07 2 0 26.40-999 ?-999 ?-999 ? C1 EDO D 148 mILE~D 49 -18.92 80.56 68.28 -19.50 81.35 68.13 -17.61 79.39 66.54 -17.07 78.37 66.28 -18.89 79.38 67.42 -20.11 79.26 66.50 3 0 23.09-999 ?-999 ?-999 ? C1 EDO D 148 mVAL~D 50 -17.10 80.56 66.21 -17.67 81.35 66.43 -14.71 80.00 66.46 -13.95 79.11 66.06 -15.78 80.59 65.54 -15.39 82.03 65.03 3 0 21.36-999 ?-999 ?-999 ? C1 EDO D 148 mARG~D 51 -14.69 80.46 67.71 -15.38 81.16 67.91 -13.81 78.45 68.83 -12.77 77.79 68.78 -13.74 79.96 68.70 -13.94 80.61 70.08 2 0 23.06-999 ?-999 ?-999 ? C1 EDO D 148 mGLN~D 52 -15.02 77.91 68.91 -15.77 78.57 68.85 -14.76 75.66 67.91 -14.41 74.50 68.07 -15.26 76.50 69.08 -16.77 76.31 69.17 2 0 22.00-999 ?-999 ?-999 ? C1 EDO D 148 mSER~D 53 -14.74 76.26 66.73 -14.98 77.23 66.79 -12.89 75.50 65.24 -12.41 74.65 64.53 -14.40 75.55 65.47 -15.06 76.28 64.30 2 0 18.25-999 ?-999 ?-999 ? C1 EDO D 148 mLEU^D 54 -12.16 76.41 65.85 -12.71 77.00 66.45 -9.85 76.03 66.84 -10.13 76.32 68.00 -10.71 76.53 65.66 -10.41 78.01 65.44 3 0 18.32-999 ?-999 ?-999 ? C2 EDO D 148 mALA^D 55 -8.78 75.33 66.53 -8.69 75.15 65.55 -7.18 76.09 68.15 -6.98 77.14 67.49 -7.81 74.86 67.50 -6.78 73.97 66.83 2 0 17.71-999 ?-999 ?-999 ? O1 EDO C 149 mALA^D 56 -6.87 75.98 69.42 -7.16 75.12 69.84 -4.90 77.47 69.32 -4.51 78.62 69.30 -6.16 77.07 70.11 -5.80 76.66 71.60 2 0 20.63-999 ?-999 ?-999 ? O1 EDO C 149 mASN^D 57 -4.25 76.52 68.65 -4.65 75.61 68.72 -3.20 76.88 66.36 -2.27 76.60 65.58 -3.01 76.87 67.89 -1.85 75.96 68.30 2 0 19.43-999 ?-999 ?-999 ? O1 EDO C 149 mVAL^D 58 -4.41 77.19 65.94 -5.08 77.35 66.67 -3.72 78.23 63.83 -3.26 79.27 64.37 -4.74 77.30 64.55 -6.21 77.75 64.27 3 0 18.09-999 ?-999 ?-999 ? C2 EDO C 150 mGLN^D 59 -3.38 77.80 62.62 -3.72 76.89 62.42 -3.48 79.13 60.54 -4.28 78.39 59.93 -2.59 78.58 61.67 -1.51 77.71 61.09 2 0 14.43-999 ?-999 ?-999 ? C2 EDO C 150 mILE^D 60 -3.38 80.43 60.30 -2.69 80.89 60.85 -3.32 81.76 58.25 -2.48 82.59 58.58 -4.21 81.11 59.31 -5.14 82.24 59.91 3 0 13.82-999 ?-999 ?-999 ? C2 EDO C 150 mTYR^D 61 -3.49 81.33 56.99 -4.13 80.57 56.89 -3.82 82.75 55.01 -4.83 82.24 54.45 -2.84 81.90 55.86 -2.30 80.81 54.94 3 0 10.79-999 ?-999 ?-999 ? C2 EDO C 150 mGLU^D 62 -3.48 84.02 54.80 -2.68 84.32 55.32 -3.47 86.12 53.55 -2.89 86.77 54.42 -4.25 84.86 53.90 -5.60 85.30 54.48 2 0 12.00-999 ?-999 ?-999 ? C1 EDO C 150 mGLY.D 63 -3.47 86.47 52.28 -3.91 85.80 51.68 -1.39 87.91 52.13 -0.93 89.02 52.36 -2.86 87.72 51.83-999.99-999.99-999.99 1 0 11.77-999 ?-999 ?-999 ? C1 EDO C 150 mGLY.D 64 -0.65 86.80 52.11 -1.15 85.97 51.87 1.12 86.86 53.88 2.29 86.89 54.20 0.75 86.82 52.40-999.99-999.99-999.99 1 0 9.12-999 ?-999 ?-999 ? C1 EDO C 150 mLYS^D 65 0.14 86.83 54.78 -0.77 86.72 54.39 -0.06 85.73 56.91 -0.96 85.04 56.44 0.41 86.97 56.20 -0.33 88.20 56.75 2 0 11.47-999 ?-999 ?-999 ? C2 EDO C 150 mVAL^D 66 0.55 85.45 58.05 1.27 86.10 58.30 -0.11 84.70 60.28 0.59 85.51 60.88 0.17 84.30 58.84 1.25 83.14 58.74 3 0 11.80-999 ?-999 ?-999 ? C2 EDO C 150 mGLU^D 67 -1.20 84.15 60.81 -1.81 83.72 60.14 -1.28 82.74 62.76 -1.56 81.75 62.04 -1.48 84.15 62.23 -2.89 84.60 62.53 2 0 15.21-999 ?-999 ?-999 ? C2 EDO C 150 mARG.D 68 -0.75 82.67 63.97 -0.70 83.56 64.43 -1.07 80.88 65.74 -0.71 79.85 66.28 -0.28 81.41 64.57 1.15 81.59 65.05 2 0 16.09-999 ?-999 ?-999 ? C2 EDO C 150 mSER~D 69 -2.17 81.53 66.10 -2.37 82.35 65.56 -4.41 81.60 67.17 -4.65 82.60 66.53 -2.99 81.05 67.22 -2.36 81.48 68.55 2 0 19.54-999 ?-999 ?-999 ? C2 EDO C 150 mLEU~D 70 -5.34 80.96 67.83 -5.01 80.13 68.29 -6.81 82.86 68.51 -7.56 83.69 67.99 -6.71 81.44 67.88 -7.59 80.46 68.66 3 0 22.01-999 ?-999 ?-999 ? C2 EDO C 150 mTHR~D 71 -6.05 83.10 69.59 -5.52 82.31 69.88 -5.57 85.50 69.29 -6.21 86.54 69.14 -6.02 84.42 70.28 -5.14 84.43 71.58 2 0 24.17-999 ?-999 ?-999 ? C2 EDO C 150 mGLU~D 72 -4.51 85.21 68.55 -4.10 84.31 68.72 -5.06 86.47 66.50 -5.42 87.63 66.30 -4.01 86.14 67.58 -2.73 85.59 66.96 2 0 21.44-999 ?-999 ?-999 ? C2 EDO C 150 mTYR~D 73 -5.58 85.43 65.85 -5.19 84.55 66.09 -7.88 86.38 65.41 -8.37 87.34 64.78 -6.66 85.62 64.85 -7.08 84.27 64.28 3 0 20.51-999 ?-999 ?-999 ? C2 EDO C 150 mALA~D 74 -8.34 85.96 66.60 -7.80 85.25 67.04 -9.43 87.98 67.61 -10.42 88.65 67.63 -9.55 86.53 67.19 -10.02 85.70 68.41 2 0 24.27-999 ?-999 ?-999 ? C2 EDO C 150 mASN~D 75 -8.25 88.47 67.93 -7.46 87.87 67.76 -8.18 90.92 67.38 -8.25 92.10 67.71 -8.19 89.81 68.48 -7.05 89.91 69.51 2 0 25.62-999 ?-999 ?-999 ? C2 EDO C 150 mHIS~D 76 -8.14 90.54 66.10 -7.99 89.57 65.95 -8.84 90.93 63.71 -9.90 91.31 63.25 -8.29 91.53 65.03 -6.94 92.20 64.77 3 0 24.12-999 ?-999 ?-999 ? C2 EDO C 150 mHIS~D 77 -8.10 90.02 63.11 -7.32 89.73 63.65 -9.81 88.92 61.74 -10.56 89.19 60.82 -8.40 89.51 61.78 -7.31 88.51 61.35 3 0 21.22-999 ?-999 ?-999 ? C2 EDO C 150 mMETD 78 -10.21 88.18 62.75 -9.51 88.05 63.46 -12.68 88.69 62.70 -13.65 88.59 61.92 -11.57 87.62 62.78 -11.75 86.86 64.09 2 0 23.19-999 ?-999 ?-999 ? C2 EDO C 150 mLEU~D 79 -12.51 89.74 63.49 -11.68 89.70 64.05 -13.51 91.56 62.16 -14.60 91.91 61.66 -13.46 90.85 63.51 -13.08 91.81 64.64 3 0 26.30-999 ?-999 ?-999 ? C2 EDO C 150 mALA~D 80 -12.35 91.71 61.54 -11.55 91.44 62.07 -13.02 91.38 59.20 -13.82 91.88 58.42 -12.27 92.25 60.20 -10.77 92.42 59.76 2 0 24.41-999 ?-999 ?-999 ? C1 EDO C 150 mASP~D 81 -12.78 90.07 59.22 -12.10 89.80 59.90 -14.98 89.23 58.48 -15.70 89.20 57.49 -13.46 89.13 58.32 -13.00 87.69 58.57 2 0 23.06-999 ?-999 ?-999 ? C1 EDO C 150 mMETD 82 -15.47 89.32 59.71 -14.77 89.34 60.43 -17.51 90.64 59.35 -18.55 90.60 58.74 -16.93 89.37 59.94 -17.27 89.24 61.42 2 0 25.16-999 ?-999 ?-999 ? C1 EDO D 148 mALA~D 83 -16.81 91.76 59.52 -15.97 91.63 60.05 -17.26 93.00 57.44 -18.22 93.49 56.84 -17.22 93.04 58.97 -16.30 94.16 59.49 2 0 28.07-999 ?-999 ?-999 ? C1 EDO C 150 mTYR~D 84 -16.22 92.43 56.82 -15.49 92.18 57.45 -17.30 91.30 54.84 -17.85 91.58 53.80 -16.14 92.18 55.37 -14.82 91.50 55.00 3 0 25.63-999 ?-999 ?-999 ? C1 EDO C 150 mLEU~D 85 -17.67 90.25 55.56 -17.14 90.14 56.40 -20.18 89.90 55.29 -21.15 89.39 54.69 -18.75 89.37 55.11 -18.65 88.05 55.87 3 0 24.19-999 ?-999 ?-999 ? C1 EDO D 148 mLYS~D 86 -20.31 90.92 56.13 -19.44 91.30 56.46 -22.42 91.76 55.29 -23.57 91.36 55.16 -21.62 91.40 56.53 -21.47 92.60 57.46 2 0 27.44-999 ?-999 ?-999 ? C1 EDO D 148 mGLY~D 87 -21.80 92.48 54.36 -20.85 92.70 54.56 -22.46 91.94 51.96 -22.87 92.34 50.87 -22.52 92.88 53.15-999.99-999.99-999.99 1 0 28.51-999 ?-999 ?-999 ? C1 EDO D 148 mLEU^D 88 -21.98 90.71 52.12 -21.77 90.45 53.07 -22.74 88.63 50.89 -23.26 88.16 51.90 -21.80 89.83 50.97 -20.36 89.29 50.97 3 0 25.28-999 ?-999 ?-999 ? C1 EDO D 148 mTHR^D 89 -22.92 88.11 49.68 -22.64 88.70 48.93 -22.35 85.84 49.06 -21.61 86.14 48.10 -23.48 86.77 49.52 -24.66 86.72 48.54 2 0 23.48-999 ?-999 ?-999 ? C1 EDO D 148 mILE^D 90 -22.21 84.73 49.80 -22.87 84.68 50.55 -21.91 82.46 49.03 -22.48 81.72 49.82 -21.20 83.70 49.56 -20.45 83.31 50.85 3 0 19.66-999 ?-999 ?-999 ? C1 EDO D 148 mTHR^D 91 -21.88 82.24 47.71 -21.35 82.91 47.19 -21.62 79.97 46.83 -20.72 80.10 46.04 -22.58 81.12 47.09 -23.21 81.51 45.76 2 0 18.65-999 ?-999 ?-999 ? C1 EDO D 148 mPRO^D 92 -21.78 78.86 47.53 -22.55 78.90 48.17 -20.93 77.11 45.96 -22.01 76.97 45.33 -20.91 77.69 47.37 -21.48 76.67 48.35 3 0 15.02-999 ?-999 ?-999 ? C1 EDO D 148 mLYS^D 93 -19.76 76.77 45.44 -18.98 76.87 46.06 -19.18 74.87 44.08 -19.76 74.01 43.42 -19.68 76.31 44.08 -18.81 77.25 43.27 2 0 14.15-999 ?-999 ?-999 ? C1 EDO D 148 mGLU^D 94 -18.12 74.60 44.83 -17.65 75.40 45.22 -17.07 73.05 46.37 -16.58 74.03 46.95 -17.70 73.22 45.04 -16.74 72.75 43.99 2 0 10.56-999 ?-999 ?-999 ? C1 EDO D 148 mHIS^D 95 -17.14 71.80 46.82 -17.55 71.14 46.19 -16.36 69.93 48.12 -17.17 69.14 47.66 -16.66 71.43 48.13 -17.67 71.81 49.19 3 0 7.76-999 ?-999 ?-999 ? C1 EDO D 148 mGLN^D 96 -15.15 69.60 48.53 -14.58 70.40 48.72 -14.06 68.08 50.05 -13.46 69.01 50.60 -14.66 68.22 48.68 -13.56 67.84 47.72 2 0 4.47-999 ?-999 ?-999 ? O1 EDO D 148s mILE^D 97 -14.24 66.90 50.62 -14.73 66.24 50.05 -13.05 65.25 51.93 -13.54 64.33 51.27 -13.75 66.61 51.96 -14.94 66.60 52.95 3 0 3.97-999 ?-999 ?-999 ? O1 EDO D 148s mTHR^D 98 -11.89 65.14 52.58 -11.57 66.00 52.98 -11.11 63.65 54.18 -10.72 64.57 54.90 -11.17 63.88 52.69 -9.78 63.96 52.10 2 0 -4.01-999 ?-999 ?-999 ? O1 EDO D 148s mILE^D 99 -11.53 62.47 54.64 -11.84 61.83 53.93 -10.79 60.83 56.19 -11.12 59.85 55.51 -11.51 62.16 56.08 -12.89 62.12 56.74 3 0 7.81-999 ?-999 ?-999 ? O1 EDO D 148 mTHR^D 100 -9.73 60.82 56.97 -9.50 61.69 57.41 -8.40 59.57 58.53 -7.65 60.46 58.91 -9.00 59.59 57.15 -7.95 59.36 56.03 2 0 -4.85-999 ?-999 ?-999 ? C1 EDO C 149s mGLY.D 101 -8.76 58.56 59.31 -9.35 57.88 58.88 -8.69 59.80 61.40 -9.83 60.24 61.35 -8.31 58.51 60.69-999.99-999.99-999.99 1 0 3.95-999 ?-999 ?-999 ? O1 EDO C 149 mASP.D 102 -7.70 60.43 62.01 -6.81 60.00 61.86 -7.72 62.96 62.10 -7.73 64.02 62.73 -7.92 61.64 62.83 -6.95 61.63 64.01 2 0 5.10-999 ?-999 ?-999 ? O1 EDO C 149 mILE^D 103 -7.58 62.89 60.79 -7.65 61.97 60.42 -8.38 64.22 58.87 -8.79 63.23 58.25 -7.34 64.08 59.97 -5.88 64.11 59.43 3 0 5.63-999 ?-999 ?-999 ? O1 EDO C 149 mALA^D 104 -8.79 65.47 58.65 -8.42 66.14 59.31 -9.19 67.03 56.77 -8.61 67.94 57.35 -9.70 65.82 57.55 -11.08 66.09 58.06 2 0 7.77-999 ?-999 ?-999 ? C2 EDO D 148 mILE^D 105 -9.37 67.01 55.46 -9.76 66.17 55.10 -10.25 68.55 53.86 -10.85 67.74 53.15 -9.01 68.16 54.63 -7.86 67.91 53.66 3 0 -4.74-999 ?-999 ?-999 ? C2 EDO D 148s mSER^D 106 -10.65 69.81 54.02 -10.09 70.32 54.68 -11.28 71.44 52.29 -10.56 72.36 52.68 -11.78 70.41 53.31 -12.70 71.10 54.33 2 0 4.96-999 ?-999 ?-999 ? C1 EDO D 148 mTHR^D 107 -11.69 71.31 51.03 -12.26 70.50 50.90 -12.62 72.75 49.31 -13.49 71.96 48.94 -11.33 72.24 49.93 -10.38 71.61 48.86 2 0 -4.98-999 ?-999 ?-999 ? C1 EDO D 148s mSER^D 108 -12.76 74.06 49.27 -11.98 74.59 49.61 -13.73 75.91 47.94 -12.73 76.57 48.06 -13.98 74.64 48.75 -14.97 74.86 49.89 2 0 8.22-999 ?-999 ?-999 ? C1 EDO D 148 mILE^D 109 -14.64 76.13 47.01 -15.33 75.42 46.94 -16.04 77.91 46.26 -17.02 77.19 46.14 -14.62 77.30 46.17 -14.29 76.97 44.70 3 0 11.40-999 ?-999 ?-999 ? C1 EDO D 148 mSER^D 110 -16.11 79.21 46.54 -15.23 79.65 46.69 -17.30 81.22 45.80 -16.25 81.69 45.39 -17.35 79.94 46.63 -17.71 80.25 48.08 2 0 14.76-999 ?-999 ?-999 ? C1 EDO D 148 mHIS^D 111 -18.48 81.74 45.52 -19.25 81.22 45.87 -19.12 84.02 45.73 -20.25 83.95 46.21 -18.62 82.96 44.76 -19.59 82.74 43.59 3 0 18.37-999 ?-999 ?-999 ? C1 EDO D 148 mALA^D 112 -18.27 84.99 45.99 -17.39 84.88 45.53 -19.07 87.31 46.02 -18.38 87.75 45.08 -18.59 86.12 46.85 -17.38 86.51 47.67 2 0 20.71-999 ?-999 ?-999 ? C1 EDO D 148 mGLN^D 113 -20.24 87.83 46.36 -20.67 87.37 47.14 -21.39 89.95 46.63 -21.98 89.58 47.62 -20.83 88.95 45.65 -22.00 88.50 44.76 2 0 24.37-999 ?-999 ?-999 ? C1 EDO D 148 mGLY^D 114 -21.20 91.23 46.33 -20.63 91.38 45.53 -20.91 93.50 47.01 -20.29 93.73 45.96 -21.79 92.30 47.12-999.99-999.99-999.99 1 0 27.58-999 ?-999 ?-999 ? C1 EDO D 148 mGLU^D 115 -20.84 94.26 48.09 -21.48 94.04 48.83 -19.33 95.51 49.55 -19.87 95.01 50.54 -19.88 95.32 48.14 -20.42 96.63 47.53 2 0 29.55-999 ?-999 ?-999 ? C1 EDO C 150 mTYR^D 116 -18.19 96.18 49.59 -17.85 96.48 48.70 -16.98 97.87 50.75 -16.29 98.22 49.77 -17.50 96.44 50.82 -16.35 95.44 51.00 3 0 28.27-999 ?-999 ?-999 ? C1 EDO C 150 mLYS.D 117 -17.30 98.66 51.78 -17.81 98.20 52.52 -17.43 100.83 50.60 -16.70 101.69 50.08 -16.94 100.06 51.83 -15.43 100.20 51.92 2 0 30.21-999 ?-999 ?-999 ? C1 EDO C 150 mGLY.D 118 -18.63 100.50 50.11 -19.11 99.79 50.63 -18.69 100.65 47.52 -19.28 101.07 46.50 -19.17 101.13 48.90-999.99-999.99-999.99 1 0 32.42-999 ?-999 ?-999 ? C1 EDO C 150 mLYS^D 119 -17.65 99.81 47.47 -17.27 99.59 48.37 -17.52 97.78 45.91 -17.72 96.99 46.83 -17.11 99.25 46.19 -15.59 99.36 46.16 2 0 29.38-999 ?-999 ?-999 ? C1 EDO A 148 mSER^D 120 -17.59 97.40 44.63 -17.27 98.11 43.99 -17.16 94.89 44.50 -15.98 94.93 44.19 -18.08 96.08 44.21 -18.42 96.10 42.71 2 0 28.39-999 ?-999 ?-999 ? C1 EDO A 148 mILE^D 121 -17.74 93.83 45.07 -18.69 94.00 45.32 -17.64 91.51 44.36 -18.86 91.31 44.33 -17.05 92.54 45.30 -17.24 92.01 46.74 3 0 25.90-999 ?-999 ?-999 ? C1 EDO C 150 mASP^D 122 -16.81 90.89 43.55 -15.87 91.24 43.56 -16.05 88.95 42.48 -15.30 89.19 41.54 -17.25 89.79 42.72 -17.85 90.27 41.40 2 0 24.49-999 ?-999 ?-999 ? C1 EDO D 148 mSER^D 123 -15.85 87.97 43.36 -16.58 87.87 44.04 -15.04 85.66 43.64 -16.03 85.39 44.33 -14.67 87.11 43.34 -13.64 87.62 44.35 2 0 21.19-999 ?-999 ?-999 ? C1 EDO D 148 mMETD 124 -14.26 84.75 43.04 -13.64 85.15 42.37 -13.27 83.10 44.43 -12.07 83.31 44.24 -14.29 83.32 43.33 -13.92 82.47 42.09 2 0 17.63-999 ?-999 ?-999 ? C1 EDO D 148 mTHR^D 125 -13.76 82.68 45.58 -14.73 82.46 45.57 -12.58 81.10 46.95 -13.32 80.22 46.54 -12.93 82.57 46.75 -13.60 83.14 47.97 2 0 15.70-999 ?-999 ?-999 ? C1 EDO D 148 mMETD 126 -11.41 80.87 47.54 -10.90 81.68 47.83 -10.47 79.32 49.15 -9.95 80.24 49.80 -10.93 79.52 47.73 -9.78 79.17 46.77 2 0 12.31-999 ?-999 ?-999 ? C1 EDO D 148 mGLU^D 127 -10.74 78.12 49.64 -11.19 77.52 48.98 -9.91 76.29 51.12 -10.54 75.34 50.67 -10.41 77.72 50.99 -11.62 77.87 51.89 2 0 10.41-999 ?-999 ?-999 ? C1 EDO D 148 mTHR^D 128 -8.75 76.14 51.73 -8.23 76.99 51.83 -8.26 74.84 53.74 -7.66 75.73 54.37 -8.29 74.82 52.20 -6.89 74.50 51.63 2 0 7.87-999 ?-999 ?-999 ? C2 EDO D 148 mLEU^D 129 -8.92 73.86 54.35 -9.39 73.25 53.72 -8.44 72.31 56.17 -8.77 71.34 55.48 -8.93 73.70 55.81 -10.33 73.83 56.42 3 0 8.67-999 ?-999 ?-999 ? C2 EDO D 148 mVAL^D 130 -7.61 72.23 57.21 -7.30 73.13 57.53 -7.89 70.94 59.17 -7.87 71.92 59.94 -7.18 71.01 57.82 -5.65 70.89 58.02 3 0 8.81-999 ?-999 ?-999 ? C2 EDO D 148 mLEU^D 131 -8.49 69.80 59.45 -8.47 69.13 58.71 -8.56 68.29 61.38 -8.21 67.32 60.70 -9.13 69.56 60.72 -10.65 69.40 60.57 3 0 10.98-999 ?-999 ?-999 ? C2 EDO D 148 mILE^D 132 -8.46 68.31 62.69 -8.76 69.17 63.10 -8.99 66.86 64.55 -9.54 67.73 65.21 -7.97 67.21 63.49 -6.59 67.55 64.15 3 0 9.42-999 ?-999 ?-999 ? O1 EDO C 149 mLYS^D 133 -9.26 65.58 64.71 -8.75 64.98 64.09 -9.53 65.08 67.06 -8.43 64.55 67.24 -10.20 65.09 65.69 -10.65 63.70 65.31 2 0 10.02-999 ?-999 ?-999 ? O1 EDO C 149 mGLN.D 134 -10.20 65.75 68.00 -11.05 66.15 67.68 -10.10 64.63 70.22 -10.97 63.82 69.85 -9.72 65.87 69.38 -10.27 67.15 69.97 2 0 12.70-999 ?-999 ?-999 ? O1 EDO C 149 mALA.D 135 -9.40 64.44 71.35 -8.66 65.10 71.47 -11.23 63.31 72.70 -11.78 62.22 72.83 -9.73 63.36 72.31 -8.88 63.49 73.55 2 0 14.08-999 ?-999 ?-999 ? O1 EDO C 149 mASP.D 136 -11.88 64.47 72.86 -11.32 65.30 72.73 -14.22 64.18 72.00 -15.46 64.25 72.13 -13.31 64.48 73.20 -13.74 65.79 73.88 2 0 16.79-999 ?-999 ?-999 ? O1 EDO C 149 mGLY.D 137 -13.60 63.86 70.85 -12.60 63.85 70.94 -14.72 64.75 68.75 -15.21 64.58 67.63 -14.32 63.55 69.60-999.99-999.99-999.99 1 0 14.46-999 ?-999 ?-999 ? O1 EDO C 149 mARG.D 138 -14.48 65.96 69.26 -14.12 65.96 70.19 -13.65 67.33 67.43 -12.51 67.05 67.68 -14.72 67.16 68.50 -14.61 68.39 69.39 2 0 15.54-999 ?-999 ?-999 ? O1 EDO C 149 mTRP^D 139 -14.03 67.75 66.22 -15.02 67.77 66.10 -12.80 69.65 65.33 -13.72 70.46 65.54 -13.08 68.14 65.19 -13.64 67.85 63.78 3 0 13.46-999 ?-999 ?-999 ? O1 EDO C 149 mLYS^D 140 -11.52 70.03 65.27 -10.87 69.27 65.23 -10.19 71.72 64.04 -9.36 70.91 63.65 -11.10 71.40 65.25 -10.35 71.79 66.53 2 0 14.85-999 ?-999 ?-999 ? O1 EDO C 149 mILE^D 141 -10.38 72.91 63.48 -11.11 73.44 63.91 -8.23 73.81 62.85 -8.14 74.64 63.74 -9.62 73.40 62.37 -10.34 74.59 61.70 3 0 13.84-999 ?-999 ?-999 ? C2 EDO D 148 mTHR^D 142 -7.18 73.23 62.27 -7.44 72.58 61.55 -5.01 74.39 61.62 -3.96 74.96 61.93 -5.78 73.52 62.64 -5.02 72.23 62.92 2 0 14.42-999 ?-999 ?-999 ? C2 EDO D 148 mHIS^D 143 -5.56 74.50 60.41 -6.42 74.00 60.30 -6.01 75.78 58.44 -6.93 75.04 58.04 -4.96 75.27 59.35 -3.93 74.47 58.56 3 0 12.87-999 ?-999 ?-999 ? C2 EDO D 148 mVAL^D 144 -5.87 77.05 58.10 -5.08 77.48 58.54 -5.96 78.42 56.10 -4.98 79.13 56.44 -6.78 77.72 57.17 -7.67 78.81 57.85 3 0 12.82-999 ?-999 ?-999 ? C2 EDO D 148 mHIS^D 145 -6.29 78.19 54.82 -6.99 77.49 54.70 -6.78 79.54 52.89 -7.60 78.82 52.30 -5.65 78.94 53.72 -4.80 78.00 52.87 3 0 11.92-999 ?-999 ?-999 ? C2 EDO C 150 mTRP^D 146 -6.84 80.85 52.88 -6.17 81.29 53.49 -7.14 82.37 50.94 -6.08 82.97 51.12 -7.81 81.58 52.06 -8.60 82.57 52.94 3 0 13.67-999 ?-999 ?-999 ? C1 EDO C 150 mSER^D 147 -7.78 82.38 49.78 -8.56 81.75 49.77 -8.66 83.51 47.78 -9.79 83.04 48.03 -7.42 83.20 48.64 -6.37 82.49 47.78 2 0 13.16-999 ?-999 ?-999 ? C1 EDO C 150 mALA.E 23 33.37 56.16 5.13 34.05 56.23 4.41 32.31 57.28 7.12 31.54 57.31 8.06 32.33 56.04 6.21 32.53 54.75 7.03 2 0 25.94-999 ?-999 ?-999 ? O2 EDO F 148 mPHE^E 24 33.14 58.29 6.83 33.75 58.09 6.06 32.97 60.73 6.62 33.87 61.00 5.85 33.15 59.57 7.58 34.45 59.75 8.35 3 0 27.31-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 25 31.85 61.44 6.72 31.33 61.22 7.54 30.78 63.63 6.39 29.87 63.46 7.20 31.43 62.44 5.72 30.36 61.85 4.73 3 0 27.24-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.E 26 31.25 64.83 6.07 32.00 64.80 5.41 31.04 66.32 8.10 30.49 67.25 8.71 30.72 66.07 6.63-999.99-999.99-999.99 1 0 28.16-999 ?-999 ?-999 ? O2 EDO F 148 mVAL.E 27 31.93 65.53 8.69 32.37 64.86 8.09 33.06 66.95 10.43 33.01 67.49 11.52 32.21 65.69 10.13 32.91 64.46 10.69 3 0 28.66-999 ?-999 ?-999 ? O2 EDO F 148 mASP.E 28 33.83 67.38 9.45 33.76 66.83 8.61 33.92 69.77 9.16 34.12 70.32 8.08 34.70 68.55 9.58 35.94 68.35 8.71 2 0 32.33-999 ?-999 ?-999 ? O2 EDO F 148 mSER~E 29 33.03 70.19 10.05 33.08 69.71 10.93 31.66 71.87 11.10 32.00 71.34 12.16 32.08 71.25 9.77 30.85 70.68 9.05 2 0 31.81-999 ?-999 ?-999 ? O2 EDO F 148 mALA~E 30 30.91 72.96 11.03 30.71 73.28 10.10 29.49 72.69 13.00 29.58 72.55 14.22 30.45 73.62 12.25 29.80 74.97 11.93 2 0 30.93-999 ?-999 ?-999 ? O1 EDO B 150 mALA~E 31 28.60 72.00 12.29 28.61 72.16 11.31 28.50 69.88 13.54 28.22 69.42 14.63 27.69 71.08 12.97 26.67 70.63 12.03 2 0 28.32-999 ?-999 ?-999 ? O2 EDO F 148 mGLY~E 32 29.48 69.39 12.79 29.58 69.86 11.91 31.15 68.60 14.46 31.33 67.74 15.35 30.34 68.27 13.23-999.99-999.99-999.99 1 0 28.45-999 ?-999 ?-999 ? O2 EDO F 148 mASN~E 33 31.60 69.85 14.56 31.41 70.43 13.76 31.43 70.26 17.02 31.93 69.99 18.09 32.30 70.29 15.76 32.86 71.70 15.59 2 0 31.37-999 ?-999 ?-999 ? O2 EDO F 148 mVAL~E 34 30.16 70.61 16.92 29.87 70.94 16.02 29.13 69.05 18.48 29.27 68.72 19.64 29.28 70.50 18.06 27.89 71.18 17.84 3 0 29.53-999 ?-999 ?-999 ? O2 EDO F 148 mVAL~E 35 28.90 68.16 17.51 28.82 68.57 16.60 30.05 66.20 18.44 29.99 65.45 19.45 28.79 66.73 17.78 28.47 65.94 16.45 3 0 26.74-999 ?-999 ?-999 ? O2 EDO F 148 mLYS~E 36 31.20 66.56 17.89 31.10 67.12 17.06 32.69 66.64 19.92 33.15 65.88 20.80 32.49 66.16 18.46 33.64 66.61 17.54 2 0 29.56-999 ?-999 ?-999 ? O2 EDO F 148 mGLN~E 37 32.39 67.91 20.17 32.11 68.42 19.36 31.50 67.76 22.48 31.81 67.55 23.64 32.47 68.46 21.52 32.15 69.94 21.48 2 0 31.50-999 ?-999 ?-999 ? O2 EDO F 148 mPHE~E 38 30.31 67.46 22.01 30.15 67.72 21.06 29.84 65.42 23.22 29.80 65.07 24.40 29.33 66.79 22.83 28.02 66.69 22.04 3 0 28.56-999 ?-999 ?-999 ? O2 EDO F 148 mHIS~E 39 30.35 64.67 22.23 30.30 65.09 21.33 32.08 63.46 23.48 32.17 62.68 24.42 30.93 63.33 22.48 31.45 62.64 21.20 3 0 27.98-999 ?-999 ?-999 ? O2 EDO F 148 mALA~E 40 32.94 64.46 23.28 32.71 65.07 22.52 33.71 64.98 25.56 34.23 64.41 26.51 34.12 64.62 24.15 35.03 65.69 23.59 2 0 31.77-999 ?-999 ?-999 ? O2 EDO F 148 mALA~E 41 32.76 65.90 25.67 32.47 66.27 24.78 31.60 65.19 27.78 31.82 65.14 29.01 32.19 66.35 26.96 31.12 67.44 26.72 2 0 31.56-999 ?-999 ?-999 ? C2 EDO C 148 mLEU~E 42 30.84 64.30 27.14 30.72 64.49 26.16 31.27 62.16 28.29 31.21 61.61 29.41 30.24 63.14 27.80 29.26 62.41 26.86 3 0 29.62-999 ?-999 ?-999 ? O2 EDO F 148 mGLN~E 43 32.22 61.90 27.41 32.14 62.38 26.53 34.31 61.54 28.75 35.06 60.78 29.33 33.29 60.96 27.74 33.97 60.50 26.47 2 0 31.21-999 ?-999 ?-999 ? O2 EDO F 148 mMETE 44 34.33 62.88 28.91 33.64 63.32 28.34 34.59 64.07 31.15 35.28 64.46 32.10 35.25 63.63 29.82 35.84 64.87 29.07 2 0 33.70-999 ?-999 ?-999 ? C2 EDO C 148 mGLY~E 45 33.27 63.99 31.22 32.84 63.56 30.42 32.35 66.00 32.39 32.03 66.57 33.44 32.52 64.50 32.37-999.99-999.99-999.99 1 0 30.10-999 ?-999 ?-999 ? C2 EDO C 148 mASN~E 46 32.54 66.67 31.25 32.77 66.11 30.45 30.94 68.49 31.01 30.39 68.45 29.91 32.40 68.12 31.23 33.31 68.77 30.19 2 0 29.08-999 ?-999 ?-999 ? O2 EDO C 148 mGLU~E 47 30.33 68.82 32.13 30.92 68.85 32.94 28.64 70.41 31.49 27.60 70.56 30.85 28.92 69.10 32.17 28.46 69.06 33.63 2 0 25.45-999 ?-999 ?-999 ? O2 EDO C 148 mALA~E 48 29.58 71.36 31.57 30.40 71.09 32.08 29.29 72.57 29.42 28.53 73.31 28.79 29.41 72.67 30.95 30.59 73.62 31.33 2 0 25.50-999 ?-999 ?-999 ? O2 EDO C 148 mILE~E 49 30.06 71.69 28.83 30.61 71.13 29.45 28.84 70.85 26.86 28.33 71.16 25.80 30.08 71.61 27.38 31.41 71.02 26.88 3 0 28.23-999 ?-999 ?-999 ? O2 EDO C 148 mVAL~E 50 28.38 69.88 27.62 28.96 69.69 28.41 26.02 70.18 27.23 25.29 70.23 26.26 27.13 69.16 27.30 26.79 68.07 28.38 3 0 26.60-999 ?-999 ?-999 ? C2 EDO C 148 mARG~E 51 25.92 71.01 28.25 26.58 70.85 28.99 25.02 72.97 27.07 24.01 73.27 26.43 24.91 72.07 28.27 25.03 72.91 29.54 2 0 23.64-999 ?-999 ?-999 ? C2 EDO C 148 mGLN~E 52 26.25 73.36 26.72 26.99 73.02 27.30 26.04 73.54 24.24 25.70 74.20 23.27 26.42 74.23 25.57 27.87 74.77 25.47 2 0 26.15-999 ?-999 ?-999 ? O2 EDO A 148 mSER~E 53 26.07 72.21 24.22 26.28 71.80 25.11 24.32 71.13 22.72 23.84 71.03 21.57 25.81 71.43 22.99 26.57 70.13 23.10 2 0 28.01-999 ?-999 ?-999 ? C2 EDO C 148 mLEU^E 54 23.58 71.04 23.81 24.06 71.29 24.66 21.24 71.77 23.96 21.49 72.63 24.81 22.20 70.61 23.77 21.98 69.60 24.89 3 0 25.33-999 ?-999 ?-999 ? C2 EDO C 148 mALA^E 55 20.15 71.74 23.20 20.14 70.97 22.56 18.36 72.59 24.60 18.40 71.51 25.24 19.08 72.72 23.26 18.10 72.50 22.17 2 0 22.92-999 ?-999 ?-999 ? O2 EDO A 148 mALA^E 56 17.73 73.68 25.01 17.80 74.46 24.39 15.92 72.65 26.28 15.68 72.05 27.31 16.99 73.73 26.27 16.31 75.11 26.42 2 0 19.85-999 ?-999 ?-999 ? C2 EDO C 148 mASN^E 57 15.31 72.47 25.12 15.72 73.02 24.39 14.60 70.30 24.20 13.77 69.64 23.56 14.18 71.61 24.87 13.14 72.31 23.95 2 0 20.34-999 ?-999 ?-999 ? C2 EDO C 148 mVAL^E 58 15.85 69.91 24.36 16.40 70.52 24.93 15.56 67.42 24.18 15.14 67.29 25.34 16.35 68.67 23.74 17.84 68.43 24.01 3 0 22.49-999 ?-999 ?-999 ? O2 EDO F 148 mGLN^E 59 15.33 66.52 23.24 15.67 66.79 22.34 15.67 64.12 23.36 16.49 64.12 22.44 14.65 65.25 23.48 13.56 65.06 22.43 2 0 19.10-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 60 15.68 63.21 24.34 14.97 63.35 25.03 15.80 60.81 24.41 14.91 60.65 25.25 16.64 62.10 24.38 17.62 62.14 25.62 3 0 18.34-999 ?-999 ?-999 ? O2 EDO F 148 mTYR^E 61 16.02 59.96 23.42 16.65 60.33 22.73 16.56 57.61 23.63 17.61 57.60 23.01 15.46 58.63 23.30 15.02 58.41 21.85 3 0 15.09-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^E 62 16.31 56.74 24.62 15.43 56.89 25.07 16.55 54.72 25.96 15.88 55.11 26.92 17.24 55.68 25.00 18.54 56.18 25.60 2 0 16.13-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.E 63 16.68 53.45 25.66 17.17 53.31 24.80 14.63 52.41 26.74 14.14 52.09 27.81 16.14 52.37 26.52-999.99-999.99-999.99 1 0 16.12-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.E 64 13.89 52.80 25.72 14.41 53.04 24.90 11.90 54.04 26.62 10.69 54.15 26.83 12.44 52.87 25.82-999.99-999.99-999.99 1 0 13.94-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^E 65 12.82 54.92 27.04 13.75 54.71 26.74 12.90 57.37 27.16 13.85 57.40 26.38 12.50 56.08 27.87 13.22 55.99 29.21 2 0 16.58-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^E 66 12.15 58.43 27.45 11.44 58.27 28.14 12.59 60.81 27.88 11.90 60.85 28.91 12.35 59.71 26.83 11.15 60.06 25.87 3 0 17.13-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^E 67 13.59 61.64 27.67 14.24 61.35 26.97 13.30 64.00 27.46 13.60 63.92 26.28 13.69 62.89 28.43 15.07 63.16 29.00 2 0 20.51-999 ?-999 ?-999 ? O2 EDO F 148 mARG.E 68 12.69 65.04 27.98 12.65 65.03 28.98 12.75 67.48 27.31 12.29 68.44 26.70 12.12 66.10 27.15 10.65 66.24 27.48 2 0 19.92-999 ?-999 ?-999 ? C2 EDO C 148 mSER~E 69 13.74 67.60 28.18 13.92 66.78 28.72 15.91 68.57 28.75 16.25 67.50 29.28 14.49 68.83 28.31 13.84 69.78 29.32 2 0 18.41-999 ?-999 ?-999 ? C2 EDO C 148 mLEU~E 70 16.75 69.59 28.56 16.35 70.35 28.04 18.10 69.39 30.59 18.84 68.57 31.17 18.11 69.57 29.06 18.84 70.86 28.62 3 0 19.27-999 ?-999 ?-999 ? C2 EDO C 148 mTHR~E 71 17.26 70.18 31.25 16.72 70.81 30.68 16.89 68.69 33.15 17.54 68.22 34.12 17.15 70.10 32.70 16.03 71.07 33.26 2 0 15.93-999 ?-999 ?-999 ? C2 EDO C 148 mGLU~E 72 15.95 68.01 32.51 15.50 68.51 31.76 16.83 65.76 32.72 17.20 65.00 33.61 15.62 66.65 32.91 14.50 66.01 32.08 2 0 16.70-999 ?-999 ?-999 ? C2 EDO C 148 mTYR~E 73 17.44 65.85 31.53 17.03 66.53 30.92 19.74 65.20 32.19 20.25 64.22 32.76 18.59 65.01 31.19 19.07 65.30 29.77 3 0 20.29-999 ?-999 ?-999 ? C2 EDO C 148 mALA~E 74 20.16 66.44 32.37 19.66 67.10 31.81 21.00 66.33 34.76 21.95 66.13 35.50 21.24 66.77 33.31 21.54 68.25 33.25 2 0 19.84-999 ?-999 ?-999 ? C2 EDO C 148 mASN~E 75 19.74 66.16 35.18 19.03 66.27 34.48 19.95 64.49 37.01 20.36 64.32 38.17 19.45 65.85 36.55 17.93 65.94 36.79 2 0 17.66-999 ?-999 ?-999 ? C2 EDO C 148 mHIS~E 76 19.94 63.52 36.13 19.68 63.79 35.20 20.93 61.42 35.38 22.02 60.88 35.51 20.29 62.16 36.54 19.01 61.44 37.01 3 0 20.66-999 ?-999 ?-999 ? C2 EDO C 148 mHIS~E 77 20.24 61.37 34.25 19.42 61.94 34.26 22.07 60.92 32.65 22.92 60.05 32.46 20.67 60.55 33.10 19.64 60.72 31.96 3 0 23.34-999 ?-999 ?-999 ? C2 EDO C 148 mMETE 78 22.34 62.21 32.58 21.58 62.81 32.83 24.74 62.21 33.07 25.76 61.72 32.58 23.65 62.70 32.16 23.66 64.21 32.16 2 0 24.26-999 ?-999 ?-999 ? C2 EDO C 148 mLEU~E 79 24.50 62.31 34.39 23.61 62.70 34.62 25.77 60.37 35.27 26.92 59.92 35.38 25.50 61.87 35.39 25.05 62.25 36.78 3 0 24.80-999 ?-999 ?-999 ? C2 EDO C 148 mALA~E 80 24.71 59.60 35.03 23.85 60.09 35.01 25.60 57.82 33.53 26.47 56.92 33.49 24.85 58.14 34.81 23.48 57.49 34.79 2 0 26.94-999 ?-999 ?-999 ? C2 EDO C 148 mASP~E 81 25.29 58.53 32.46 24.54 59.18 32.58 27.49 58.62 31.42 28.31 57.83 30.96 26.01 58.35 31.22 25.50 59.29 30.14 2 0 26.94-999 ?-999 ?-999 ? O2 EDO F 148 mMETE 82 27.82 59.71 32.10 27.05 60.25 32.42 29.96 59.02 33.17 31.12 58.75 32.91 29.22 60.07 32.34 29.32 61.44 33.00 2 0 29.64-999 ?-999 ?-999 ? C2 EDO C 148 mALA~E 83 29.27 58.42 34.13 28.33 58.77 34.20 30.08 56.10 34.17 31.13 55.46 34.28 29.80 57.37 34.99 28.79 57.07 36.11 2 0 30.84-999 ?-999 ?-999 ? C2 EDO C 148 mTYR~E 84 29.15 55.79 33.29 28.36 56.41 33.29 30.41 54.77 31.45 31.16 53.80 31.22 29.24 54.65 32.41 27.93 54.54 31.65 3 0 29.30-999 ?-999 ?-999 ? O2 EDO F 148 mLEU~E 85 30.58 55.96 30.89 29.96 56.67 31.22 33.03 56.22 30.48 34.03 56.01 29.78 31.62 56.15 29.87 31.30 57.38 28.99 3 0 29.78-999 ?-999 ?-999 ? O2 EDO F 148 mLYS~E 86 33.13 56.49 31.78 32.26 56.56 32.25 35.39 55.46 32.25 36.61 55.62 32.12 34.46 56.67 32.40 34.30 57.03 33.89 2 0 33.59-999 ?-999 ?-999 ? O2 EDO F 148 mGLY~E 87 34.84 54.25 32.28 33.85 54.26 32.42 35.69 52.47 30.70 36.19 51.35 30.47 35.63 53.03 32.11-999.99-999.99-999.99 1 0 33.96-999 ?-999 ?-999 ? O2 EDO F 148 mLEU^E 88 35.20 53.24 29.73 34.88 54.14 30.03 36.05 53.65 27.47 36.35 54.79 27.80 35.16 52.79 28.35 33.74 52.88 27.76 3 0 31.54-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 89 36.48 53.05 26.35 36.35 52.06 26.35 36.03 53.65 24.16 35.44 52.58 23.95 37.06 53.77 25.25 38.39 53.19 24.80 2 0 31.95-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 90 35.77 54.75 23.49 36.32 55.54 23.77 35.51 55.15 21.17 36.14 56.20 21.08 34.76 54.80 22.43 33.67 55.85 22.69 3 0 28.92-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 91 35.49 54.23 20.22 34.94 53.42 20.43 35.20 54.55 17.82 34.49 53.61 17.51 36.20 54.42 18.99 37.17 53.24 18.74 2 0 29.30-999 ?-999 ?-999 ? O2 EDO F 148 mPRO^E 92 35.12 55.75 17.20 35.69 56.45 17.62 34.56 55.05 14.89 35.74 54.87 14.55 34.25 55.99 16.03 34.57 57.44 15.62 3 0 27.15-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^E 93 33.52 54.43 14.32 32.64 54.66 14.73 33.08 54.09 11.92 33.66 53.91 10.86 33.64 53.51 13.21 33.01 52.16 13.55 2 0 26.01-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^E 94 31.97 54.81 12.01 31.53 54.77 12.91 30.61 56.75 11.36 30.00 56.73 12.44 31.46 55.57 10.89 30.74 54.66 9.89 2 0 24.22-999 ?-999 ?-999 ? O2 EDO F 148 mHIS^E 95 30.61 57.80 10.57 31.10 57.65 9.71 29.63 59.89 9.73 30.52 60.25 8.99 29.95 59.05 10.94 30.87 59.85 11.90 3 0 23.69-999 ?-999 ?-999 ? O2 EDO F 148 mGLN^E 96 28.36 60.20 9.53 27.73 59.79 10.19 27.13 62.21 9.02 26.29 62.03 9.88 27.93 61.06 8.45 27.05 60.31 7.42 2 0 22.98-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 97 27.41 63.41 8.55 28.24 63.47 7.99 26.05 65.05 7.54 26.83 65.29 6.62 26.56 64.53 8.86 27.30 65.61 9.65 3 0 23.51-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 98 24.74 65.14 7.45 24.27 64.83 8.28 23.28 66.90 6.70 22.52 66.91 7.65 24.03 65.64 6.30 23.08 64.59 5.77 2 0 22.86-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 99 23.51 67.97 5.94 24.13 67.79 5.18 21.85 69.59 5.15 22.12 69.49 3.95 22.91 69.28 6.20 23.99 70.40 6.23 3 0 24.67-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 100 20.65 69.92 5.62 20.59 69.88 6.61 18.98 71.60 5.26 18.15 71.64 6.18 19.54 70.29 4.75 18.41 69.26 4.76 2 0 24.02-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.E 101 19.40 72.69 4.62 19.97 72.53 3.82 19.67 74.21 6.44 20.86 74.02 6.60 19.04 74.01 5.08-999.99-999.99-999.99 1 0 26.79-999 ?-999 ?-999 ? O2 EDO F 148 mASP.E 102 18.86 74.61 7.41 17.91 74.74 7.11 19.01 73.64 9.69 18.92 73.79 10.92 19.31 74.83 8.76 18.67 76.08 9.31 2 0 26.82-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 103 18.90 72.45 9.10 18.87 72.48 8.10 20.02 70.37 9.51 20.38 70.23 8.32 18.83 71.24 9.87 17.55 70.43 9.60 3 0 23.28-999 ?-999 ?-999 ? O2 EDO F 148 mALA^E 104 20.68 69.81 10.52 20.38 70.12 11.43 21.35 67.49 10.98 20.71 67.52 12.01 21.75 68.83 10.28 23.08 69.35 10.78 2 0 22.83-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 105 21.70 66.36 10.36 22.18 66.52 9.50 22.77 64.35 10.97 23.53 64.30 9.99 21.41 65.02 10.86 20.50 64.18 9.93 3 0 19.68-999 ?-999 ?-999 ? O2 EDO F 148 mSER^E 106 23.10 63.88 12.16 22.40 64.03 12.87 24.06 61.78 12.76 23.23 61.54 13.61 24.37 63.21 12.41 25.12 63.90 13.55 2 0 20.63-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 107 24.64 60.85 12.02 25.24 61.21 11.30 25.77 58.76 12.42 26.61 58.81 11.52 24.41 59.42 12.26 23.58 58.74 11.14 2 0 18.68-999 ?-999 ?-999 ? O2 EDO F 148 mSER^E 108 26.00 58.17 13.59 25.24 58.19 14.24 27.17 56.18 14.53 26.19 55.88 15.23 27.28 57.55 13.84 28.17 58.52 14.64 2 0 20.62-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 109 28.18 55.36 14.29 28.83 55.72 13.62 29.72 54.03 15.51 30.66 54.40 14.82 28.32 54.08 14.95 28.17 52.91 14.03 3 0 20.90-999 ?-999 ?-999 ? O2 EDO F 148 mSER^E 110 29.83 53.63 16.78 28.96 53.35 17.19 31.27 52.27 18.22 30.28 51.59 18.52 31.12 53.59 17.49 31.25 54.76 18.47 2 0 23.96-999 ?-999 ?-999 ? O2 EDO F 148 mHIS^E 111 32.52 51.92 18.51 33.21 52.59 18.21 33.20 51.05 20.62 34.16 51.79 20.85 32.86 50.69 19.19 34.05 50.00 18.52 3 0 25.89-999 ?-999 ?-999 ? O2 EDO F 148 mALA^E 112 32.40 50.55 21.56 31.64 50.03 21.17 33.33 49.54 23.58 32.89 48.40 23.41 32.60 50.75 23.01 31.26 50.91 23.73 2 0 26.85-999 ?-999 ?-999 ? O2 EDO F 148 mGLN^E 113 34.43 49.81 24.28 34.67 50.78 24.33 35.65 49.13 26.30 36.19 50.21 26.52 35.21 48.77 24.91 36.49 48.53 24.15 2 0 30.08-999 ?-999 ?-999 ? O2 EDO F 148 mGLY^E 114 35.45 48.20 27.23 34.96 47.39 26.92 35.14 47.53 29.57 34.76 46.37 29.27 35.92 48.38 28.59-999.99-999.99-999.99 1 0 32.38-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^E 115 34.91 48.07 30.76 35.29 48.99 30.89 33.22 48.32 32.42 33.42 49.52 32.34 34.16 47.35 31.75 35.08 46.68 32.79 2 0 32.69-999 ?-999 ?-999 ? O2 EDO F 148 mTYR^E 116 32.19 47.77 33.05 32.13 46.78 32.94 30.62 47.65 34.85 30.12 46.58 34.51 31.25 48.57 33.82 30.17 49.19 32.95 3 0 31.60-999 ?-999 ?-999 ? O2 EDO F 148 mLYS.E 117 30.66 48.08 36.10 31.04 49.00 36.21 30.76 45.86 37.15 30.05 44.88 37.41 30.18 47.27 37.20 28.65 47.16 37.18 2 0 -33.32-999 ?-999 ?-999 ? O2 EDO F 148s mGLY.E 118 32.06 45.76 36.84 32.53 46.63 36.69 32.37 43.61 35.52 32.92 42.53 35.38 32.71 44.47 36.74-999.99-999.99-999.99 1 0 35.17-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^E 119 31.49 44.07 34.63 31.08 44.95 34.86 31.89 43.89 32.19 32.02 45.11 32.03 31.18 43.30 33.42 29.67 43.21 33.18 2 0 32.11-999 ?-999 ?-999 ? O2 EDO F 148 mSER^E 120 32.36 43.00 31.32 32.17 42.05 31.55 32.13 44.02 29.13 31.02 43.55 28.97 33.08 43.40 30.14 33.78 42.18 29.53 2 0 31.59-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 121 32.56 45.10 28.49 33.45 45.44 28.77 32.53 45.72 26.15 33.71 46.08 26.10 31.76 45.74 27.46 31.35 47.15 27.85 3 0 28.59-999 ?-999 ?-999 ? O2 EDO F 148 mASP^E 122 31.84 45.26 25.10 30.90 45.01 25.31 31.26 45.17 22.81 30.61 44.15 22.51 32.43 45.15 23.78 33.25 43.87 23.69 2 0 27.61-999 ?-999 ?-999 ? O2 EDO F 148 mSER^E 123 30.93 46.36 22.33 31.55 47.11 22.58 29.72 47.73 20.65 30.50 48.68 20.83 29.74 46.48 21.52 28.48 46.44 22.40 2 0 24.06-999 ?-999 ?-999 ? O2 EDO F 148 mMETE 124 28.80 47.69 19.71 28.25 46.86 19.71 27.46 49.65 19.22 26.36 49.17 19.43 28.61 48.78 18.76 28.34 48.22 17.38 2 0 21.79-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 125 27.73 50.93 19.42 28.67 51.20 19.23 26.27 52.70 18.64 27.06 52.89 17.72 26.69 51.86 19.87 27.17 52.68 21.08 2 0 20.22-999 ?-999 ?-999 ? O2 EDO F 148 mMETE 126 25.01 53.10 18.61 24.49 52.85 19.43 23.83 55.13 17.98 23.28 55.17 19.08 24.43 53.83 17.48 23.32 53.01 16.81 2 0 17.54-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^E 127 24.03 56.18 17.19 24.52 55.97 16.35 23.04 58.23 16.32 23.70 58.35 15.31 23.59 57.49 17.52 24.73 58.33 18.08 2 0 17.75-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 128 21.83 58.74 16.48 21.38 58.41 17.31 20.99 60.99 16.34 20.36 61.00 17.41 21.20 59.69 15.55 19.88 59.19 14.99 2 0 16.25-999 ?-999 ?-999 ? O2 EDO F 148 mLEU^E 129 21.52 62.10 15.80 22.08 61.92 14.98 20.71 64.35 15.29 21.07 64.25 14.11 21.32 63.43 16.35 22.64 64.07 16.79 3 0 18.74-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^E 130 19.76 65.16 15.73 19.47 64.95 16.66 19.74 67.56 15.58 19.72 67.72 16.81 19.19 66.25 14.97 17.66 66.27 15.01 3 0 19.20-999 ?-999 ?-999 ? O2 EDO F 148 mLEU^E 131 20.24 68.43 14.72 20.21 68.10 13.78 20.07 70.80 14.27 19.62 70.56 13.11 20.78 69.73 15.09 22.29 69.84 14.88 3 0 22.95-999 ?-999 ?-999 ? O2 EDO F 148 mILE^E 132 19.86 71.94 14.90 20.15 71.94 15.86 20.29 74.21 14.29 21.03 74.35 15.30 19.27 73.08 14.25 17.97 73.57 14.92 3 0 24.97-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^E 133 20.37 74.93 13.17 19.86 74.53 12.41 20.22 77.33 13.56 19.28 77.73 12.87 21.14 76.20 13.08 21.63 76.45 11.66 2 0 25.89-999 ?-999 ?-999 ? O2 EDO A 148 mGLN.E 134 20.50 77.84 14.75 21.34 77.46 15.14 19.87 80.28 14.85 20.61 80.50 13.87 19.69 78.86 15.41 20.04 78.89 16.88 2 0 22.15-999 ?-999 ?-999 ? O2 EDO A 148 mALA.E 135 19.15 81.22 15.45 18.61 80.88 16.22 20.56 83.22 15.12 20.88 84.13 14.34 19.16 82.62 15.04 18.20 83.43 15.89 2 0 20.16-999 ?-999 ?-999 ? O2 EDO A 148 mASP.E 136 21.38 82.70 16.03 20.96 81.99 16.60 23.78 82.48 15.26 24.99 82.69 15.41 22.77 83.18 16.16 23.22 83.08 17.62 2 0 19.44-999 ?-999 ?-999 ? O1 EDO B 150 mGLY.E 137 23.28 81.66 14.33 22.28 81.64 14.30 24.80 79.71 14.10 25.65 79.10 13.47 24.09 80.87 13.44-999.99-999.99-999.99 1 0 22.73-999 ?-999 ?-999 ? O1 EDO B 150 mARG.E 138 24.48 79.41 15.37 23.77 79.99 15.76 24.25 77.06 16.09 23.01 77.13 16.17 25.14 78.31 16.08 25.57 78.74 17.49 2 0 24.24-999 ?-999 ?-999 ? O1 EDO B 150 mTRP^E 139 24.90 75.92 15.91 25.89 76.04 15.79 23.97 74.07 17.28 24.83 74.14 18.16 24.23 74.63 15.88 25.07 73.65 15.07 3 0 27.19-999 ?-999 ?-999 ? O2 EDO A 148 mLYS^E 140 22.78 73.54 17.52 22.15 73.58 16.75 21.76 71.65 18.59 20.94 71.57 17.68 22.48 72.95 18.83 21.58 73.86 19.66 2 0 26.00-999 ?-999 ?-999 ? O2 EDO A 148 mILE^E 141 22.01 70.67 19.42 22.68 70.88 20.13 19.94 69.45 19.87 19.73 69.80 21.03 21.36 69.38 19.30 22.18 68.27 20.02 3 0 23.79-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^E 142 18.97 69.04 19.06 19.28 68.74 18.16 16.98 67.66 19.76 15.92 67.56 20.43 17.58 69.04 19.51 16.68 69.82 18.54 2 0 21.63-999 ?-999 ?-999 ? O2 EDO F 148 mHIS^E 143 17.61 66.61 19.23 18.43 66.85 18.72 18.27 64.28 19.40 19.17 64.47 18.60 17.08 65.22 19.43 16.06 64.82 18.36 3 0 18.26-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^E 144 18.26 63.31 20.32 17.44 63.35 20.90 18.58 60.97 20.57 17.63 60.83 21.36 19.30 62.30 20.49 20.04 62.49 21.83 3 0 17.90-999 ?-999 ?-999 ? O2 EDO F 148 mHIS^E 145 18.96 60.01 19.72 19.59 60.34 19.03 19.73 57.73 19.92 20.55 57.70 19.03 18.47 58.61 19.82 17.69 58.21 18.58 3 0 14.90-999 ?-999 ?-999 ? O2 EDO F 148 mTRP^E 146 19.83 57.04 21.04 19.09 57.18 21.69 20.39 54.75 21.41 19.32 54.51 21.97 20.91 56.16 21.33 21.56 56.54 22.67 3 0 16.50-999 ?-999 ?-999 ? O2 EDO F 148 mSER^E 147 21.18 53.82 20.86 21.93 54.18 20.31 22.26 51.63 20.91 23.32 52.19 20.61 20.94 52.40 21.04 19.88 51.90 20.06 2 0 15.60-999 ?-999 ?-999 ? O2 EDO F 148 mASP.F 28 -0.29 65.30 11.07 0.28 65.23 11.89 -0.60 66.41 8.81 -0.99 67.59 8.73 -1.14 65.40 9.84 -2.59 65.72 10.18 2 0 17.03-999 ?-999 ?-999 ? O1 EDO F 148 mSER~F 29 0.27 65.87 7.99 0.38 64.89 8.12 1.32 65.49 6.02 1.12 64.33 6.37 1.00 66.59 6.99 2.32 67.10 7.58 2 0 17.99-999 ?-999 ?-999 ? O2 EDO F 148 mALA~F 30 1.82 65.85 4.84 1.85 66.84 4.69 3.34 63.99 4.41 3.34 62.78 4.20 2.27 64.85 3.84 2.79 65.54 2.55 2 0 17.43-999 ?-999 ?-999 ? O2 EDO F 148 mALA~F 31 4.27 64.59 5.15 4.17 65.58 5.24 4.77 62.81 6.80 5.16 61.64 6.85 5.34 63.80 5.77 6.41 64.72 6.38 2 0 14.84-999 ?-999 ?-999 ? O2 EDO F 148 mGLY~F 32 3.84 63.27 7.63 3.66 64.25 7.56 2.38 61.25 7.90 2.29 60.16 8.43 3.14 62.40 8.56-999.99-999.99-999.99 1 0 13.04-999 ?-999 ?-999 ? O2 EDO F 148 mASN~F 33 1.77 61.52 6.75 1.83 62.47 6.45 2.03 59.38 5.54 1.68 58.21 5.52 1.07 60.48 6.03 0.34 61.10 4.84 2 0 13.37-999 ?-999 ?-999 ? O1 EDO F 148 mVAL~F 34 3.23 59.76 5.11 3.42 60.74 5.12 4.61 57.91 5.88 4.80 56.73 5.77 4.17 58.75 4.66 5.35 59.37 3.94 3 0 11.84-999 ?-999 ?-999 ? O2 EDO F 148 mVAL~F 35 4.89 58.58 7.00 4.89 59.57 6.91 4.06 56.84 8.64 4.34 55.70 8.93 5.17 57.84 8.26 5.44 58.78 9.41 3 0 8.65-999 ?-999 ?-999 ? O2 EDO F 148 mLYS~F 36 2.79 57.27 8.61 2.67 58.22 8.33 1.54 55.23 7.96 1.31 54.12 8.33 1.69 56.38 8.97 0.38 57.18 9.09 2 0 8.43-999 ?-999 ?-999 ? O1 EDO F 148 mGLN~F 37 1.67 55.54 6.68 1.75 56.52 6.53 2.78 53.48 5.72 2.57 52.31 5.44 1.68 54.56 5.59 1.89 55.38 4.35 2 0 9.51-999 ?-999 ?-999 ? O1 EDO F 148 mPHE~F 38 3.96 53.93 6.10 3.98 54.92 6.22 4.86 52.08 7.47 5.05 50.87 7.32 5.11 53.07 6.33 6.34 53.97 6.59 3 0 7.32-999 ?-999 ?-999 ? C2 EDO F 148 mHIS~F 39 4.40 52.59 8.60 4.32 53.59 8.58 2.99 50.76 9.42 3.12 49.61 9.81 4.05 51.78 9.76 3.51 52.63 10.93 3 0 -4.01-999 ?-999 ?-999 ? O1 EDO F 148s mALA~F 40 1.93 51.19 8.73 1.97 52.17 8.54 1.35 49.23 7.38 1.08 48.04 7.59 0.83 50.31 8.31 -0.29 51.10 7.62 2 0 6.45-999 ?-999 ?-999 ? O1 EDO F 148 mALA~F 41 2.05 49.64 6.32 2.17 50.63 6.25 3.52 47.65 5.99 3.48 46.50 5.60 2.59 48.72 5.36 3.30 49.48 4.21 2 0 8.26-999 ?-999 ?-999 ? O1 EDO F 148 mLEU~F 42 4.34 48.03 6.94 4.33 49.01 7.14 4.40 46.05 8.46 4.77 44.87 8.56 5.19 47.05 7.62 6.17 47.72 8.55 3 0 -5.86-999 ?-999 ?-999 ? C2 EDO F 148s mGLN~F 43 3.34 46.55 9.11 3.18 47.52 8.97 1.57 44.85 9.10 1.26 43.73 9.49 2.51 45.70 9.96 1.76 46.53 11.03 2 0 -5.86-999 ?-999 ?-999 ? O1 EDO F 148s mMETF 44 1.14 45.33 7.94 1.47 46.25 7.73 1.00 43.67 6.02 0.38 42.89 5.32 0.26 44.54 7.05 -0.71 45.48 6.33 2 0 9.44-999 ?-999 ?-999 ? O1 EDO F 148 mGLY~F 45 2.32 43.81 5.94 2.72 44.45 6.60 2.99 43.57 3.55 3.07 42.79 2.62 3.11 43.08 4.97-999.99-999.99-999.99 1 0 10.72-999 ?-999 ?-999 ? C1 EDO F 148 mASN~F 46 2.81 44.88 3.37 2.77 45.42 4.21 4.05 45.96 1.58 4.47 47.11 1.84 2.69 45.46 2.04 1.61 46.54 2.02 2 0 12.12-999 ?-999 ?-999 ? C2 EDO F 148 mGLU~F 47 4.75 45.08 0.88 4.27 44.22 0.70 6.17 46.52 -0.54 7.13 47.28 -0.52 6.10 45.36 0.43 6.70 44.11 -0.21 2 0 12.78-999 ?-999 ?-999 ? C2 EDO F 148 mALA~F 48 5.16 46.65 -1.40 4.46 45.94 -1.34 5.13 49.12 -1.70 5.91 49.99 -2.08 5.12 47.74 -2.36 3.88 47.59 -3.32 2 0 15.06-999 ?-999 ?-999 ? C2 EDO F 148 mILE~F 49 4.32 49.29 -0.66 3.81 48.47 -0.41 5.43 50.86 0.94 5.80 52.03 1.12 4.21 50.57 0.05 2.91 50.69 0.86 3 0 12.78-999 ?-999 ?-999 ? C2 EDO F 148 mVAL~F 50 6.00 49.80 1.52 5.50 48.94 1.43 8.33 50.48 1.29 8.88 51.54 1.59 7.28 49.92 2.24 7.76 48.63 2.92 3 0 10.17-999 ?-999 ?-999 ? C2 EDO F 148 mARG~F 51 8.53 49.85 0.14 7.97 49.03 0.02 9.25 51.78 -1.28 10.19 52.58 -1.35 9.50 50.34 -0.84 9.54 49.40 -2.04 2 0 13.44-999 ?-999 ?-999 ? C2 EDO F 148 mGLN~F 52 7.99 52.10 -1.55 7.34 51.35 -1.46 7.87 54.55 -0.90 8.09 55.71 -1.25 7.59 53.44 -1.96 6.10 53.35 -2.31 2 0 14.85-999 ?-999 ?-999 ? C2 EDO F 148 mSER~F 53 7.89 54.17 0.38 7.78 53.18 0.50 9.50 55.41 1.76 9.83 56.43 2.38 8.05 55.10 1.48 7.43 54.47 2.75 2 0 12.07-999 ?-999 ?-999 ? O2 EDO F 148 mLEU^F 54 10.36 54.48 1.36 9.96 53.74 0.83 12.54 55.06 0.47 12.32 54.59 -0.65 11.77 54.55 1.67 12.32 53.15 2.07 3 0 12.38-999 ?-999 ?-999 ? O2 EDO F 148 mALA^F 55 13.48 55.98 0.69 13.49 56.33 1.63 15.33 55.25 -0.82 15.69 54.38 -0.04 14.41 56.40 -0.37 15.27 57.62 0.07 2 0 15.74-999 ?-999 ?-999 ? O2 EDO F 148 mALA^F 56 15.72 55.28 -2.10 15.32 56.03 -2.62 17.93 54.14 -1.82 18.43 53.05 -1.69 16.64 54.29 -2.65 16.98 54.63 -4.11 2 0 18.15-999 ?-999 ?-999 ? O2 EDO F 148 mASN^F 57 18.41 55.24 -1.26 17.88 56.06 -1.45 19.32 55.33 1.05 20.13 55.84 1.80 19.61 55.25 -0.43 20.53 56.42 -0.84 2 0 18.29-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^F 58 18.18 54.78 1.50 17.62 54.33 0.80 18.91 54.18 3.71 19.48 53.16 3.28 17.84 54.87 2.92 16.45 54.25 3.24 3 0 14.66-999 ?-999 ?-999 ? O2 EDO F 148 mGLN^F 59 19.18 54.76 4.86 18.74 55.65 4.97 19.16 53.69 7.05 18.30 54.42 7.55 20.02 54.18 5.89 20.99 55.22 6.38 2 0 14.45-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 60 19.41 52.46 7.49 20.16 52.00 7.01 19.55 51.37 9.74 20.38 50.51 9.61 18.65 51.84 8.58 17.79 50.67 8.07 3 0 11.72-999 ?-999 ?-999 ? O2 EDO F 148 mTYR^F 61 19.34 51.96 10.90 18.63 52.66 10.87 19.17 50.79 13.01 18.14 51.28 13.46 20.07 51.62 12.11 20.41 52.90 12.86 3 0 12.34-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^F 62 19.54 49.54 13.31 20.33 49.21 12.79 19.78 47.67 14.91 20.44 46.94 14.19 18.86 48.74 14.32 17.60 48.04 13.83 2 0 11.42-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.F 63 19.86 47.62 16.23 19.41 48.39 16.69 22.02 46.36 16.61 22.52 45.23 16.58 20.56 46.54 16.91-999.99-999.99-999.99 1 0 14.14-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.F 64 22.71 47.46 16.38 22.17 48.30 16.42 24.50 47.22 14.66 25.69 47.21 14.32 24.14 47.43 16.10-999.99-999.99-999.99 1 0 17.07-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^F 65 23.48 47.06 13.83 22.59 47.15 14.27 23.03 47.94 11.60 22.02 48.58 11.99 23.62 46.79 12.42 22.92 45.46 12.10 2 0 16.40-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^F 66 23.67 48.22 10.46 24.48 47.65 10.32 22.99 48.68 8.13 23.80 47.92 7.62 23.22 49.24 9.52 24.23 50.41 9.43 3 0 15.90-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^F 67 21.83 49.00 7.54 21.14 49.39 8.15 21.75 50.11 5.44 21.32 51.13 5.97 21.62 48.77 6.12 20.29 48.16 5.81 2 0 15.55-999 ?-999 ?-999 ? O2 EDO F 148 mARG.F 68 22.33 50.09 4.25 22.44 49.16 3.89 21.99 51.64 2.28 22.28 52.65 1.61 22.75 51.31 3.54 24.23 51.17 3.22 2 0 17.63-999 ?-999 ?-999 ? O2 EDO F 148 mSER~F 69 21.03 50.80 1.92 20.95 49.99 2.50 18.86 50.37 0.95 18.77 49.41 1.71 20.17 51.07 0.77 20.80 50.57 -0.55 2 0 17.30-999 ?-999 ?-999 ? O2 EDO F 148 mLEU~F 70 17.86 50.82 0.22 18.05 51.66 -0.28 16.79 48.67 -0.29 16.20 47.75 0.28 16.60 50.12 0.19 15.63 50.84 -0.73 3 0 15.33-999 ?-999 ?-999 ? C2 EDO F 148 mTHR~F 71 17.62 48.43 -1.32 18.02 49.25 -1.73 18.39 46.18 -0.61 17.91 45.07 -0.37 17.88 47.06 -1.75 18.88 46.99 -3.00 2 0 17.83-999 ?-999 ?-999 ? C2 EDO F 148 mGLU~F 72 19.37 46.69 0.12 19.65 47.62 -0.11 18.89 45.55 2.21 18.73 44.39 2.54 19.97 45.91 1.18 21.12 46.68 1.82 2 0 17.29-999 ?-999 ?-999 ? C2 EDO F 148 mTYR~F 73 18.14 46.56 2.64 18.42 47.45 2.27 15.93 45.40 3.06 15.48 44.49 3.79 17.00 46.36 3.58 16.36 47.71 3.91 3 0 13.49-999 ?-999 ?-999 ? C2 EDO F 148 mALA~F 74 15.49 45.62 1.83 15.97 46.36 1.35 14.81 43.36 1.06 13.98 42.48 1.11 14.41 44.83 1.25 13.94 45.43 -0.11 2 0 14.06-999 ?-999 ?-999 ? C2 EDO F 148 mASN~F 75 16.09 43.10 0.87 16.70 43.89 0.92 16.45 40.78 1.82 16.19 39.60 1.68 16.49 41.71 0.61 17.88 41.68 -0.04 2 0 16.91-999 ?-999 ?-999 ? C2 EDO F 148 mHIS~F 76 16.62 41.32 3.01 16.67 42.32 2.97 15.76 40.94 5.36 14.71 40.25 5.74 16.72 40.53 4.25 18.15 40.76 4.78 3 0 15.41-999 ?-999 ?-999 ? C2 EDO F 148 mHIS~F 77 16.15 42.10 5.86 16.85 42.56 5.33 14.14 42.89 6.89 13.41 42.67 7.85 15.65 42.66 7.05 16.48 43.94 7.32 3 0 12.10-999 ?-999 ?-999 ? C2 EDO F 148 mMETF 78 13.66 43.28 5.71 14.31 43.22 4.95 11.24 42.65 5.88 10.30 42.82 6.63 12.27 43.75 5.59 12.01 44.31 4.19 2 0 10.27-999 ?-999 ?-999 ? C2 EDO F 148 mLEU~F 79 11.43 41.51 5.23 12.21 41.53 4.60 10.64 39.82 6.86 9.62 39.38 7.41 10.57 40.35 5.45 10.97 39.25 4.47 3 0 12.06-999 ?-999 ?-999 ? C2 EDO F 148 mALA~F 80 11.83 39.84 7.45 12.58 40.13 6.84 11.21 40.43 9.74 10.50 40.01 10.65 12.02 39.47 8.86 13.49 39.52 9.22 2 0 11.76-999 ?-999 ?-999 ? C2 EDO F 148 mASP~F 81 11.31 41.73 9.45 11.93 41.93 8.70 9.04 42.54 10.12 8.36 42.66 11.11 10.54 42.76 10.20 10.88 44.18 9.74 2 0 7.91-999 ?-999 ?-999 ? C2 EDO F 148 mMETF 82 8.53 42.22 8.94 9.21 42.18 8.20 6.62 40.69 9.55 5.53 40.67 10.16 7.09 41.95 8.77 6.81 41.81 7.30 2 0 8.49-999 ?-999 ?-999 ? C1 EDO F 148 mALA~F 83 7.45 39.67 9.55 8.27 39.82 9.00 7.13 38.75 11.77 6.23 38.34 12.50 7.16 38.44 10.30 8.23 37.38 10.00 2 0 11.10-999 ?-999 ?-999 ? C1 EDO F 148 mTYR~F 84 8.10 39.54 12.21 8.74 39.85 11.51 6.94 40.60 14.11 6.41 40.24 15.17 8.20 39.91 13.60 9.45 40.75 13.82 3 0 9.40-999 ?-999 ?-999 ? C1 EDO F 148 mLEU~F 85 6.43 41.57 13.32 6.92 41.70 12.46 3.96 41.61 13.65 2.98 42.01 14.27 5.26 42.37 13.72 5.15 43.60 12.83 3 0 6.82-999 ?-999 ?-999 ? C1 EDO F 148 mLYS~F 86 3.93 40.53 12.90 4.82 40.24 12.55 1.96 39.41 13.89 0.76 39.55 13.98 2.68 39.84 12.62 2.94 38.63 11.73 2 0 9.95-999 ?-999 ?-999 ? C1 EDO F 148 mGLY~F 87 2.69 38.94 14.88 3.67 38.91 14.69 2.13 39.54 17.26 2.06 39.19 18.44 2.07 38.51 16.14-999.99-999.99-999.99 1 0 11.73-999 ?-999 ?-999 ? C1 EDO F 148 mLEU^F 88 2.26 40.82 16.88 2.29 40.96 15.89 1.26 42.89 17.57 0.82 43.06 16.44 2.34 41.90 17.84 3.67 42.64 17.70 3 0 9.37-999 ?-999 ?-999 ? C1 EDO F 148 mTHR^F 89 0.84 43.54 18.64 1.18 43.16 19.50 0.85 45.87 18.89 1.47 45.91 19.97 -0.04 44.69 18.57 -1.16 44.64 19.61 2 0 9.10-999 ?-999 ?-999 ? O1 EDO F 148 mILE^F 90 0.88 46.83 17.97 0.31 46.66 17.17 0.74 49.22 18.37 0.01 49.64 17.46 1.67 48.04 18.13 2.50 48.30 16.87 3 0 6.31-999 ?-999 ?-999 ? O1 EDO F 148 mTHR^F 91 0.76 49.72 19.59 1.43 49.26 20.17 0.69 52.15 20.12 1.62 52.28 20.89 -0.08 50.82 20.05 -0.69 50.49 21.44 2 0 8.67-999 ?-999 ?-999 ? O1 EDO F 148 mPRO^F 92 0.34 53.12 19.27 -0.38 52.90 18.61 0.85 55.08 20.75 -0.25 55.08 21.34 1.01 54.40 19.37 0.35 55.22 18.25 3 0 8.69-999 ?-999 ?-999 ? O1 EDO F 148 mLYS^F 93 1.94 55.65 21.27 2.75 55.58 20.68 2.22 57.78 22.45 1.50 58.58 22.99 1.94 56.30 22.58 2.91 55.62 23.54 2 0 11.82-999 ?-999 ?-999 ? O1 EDO F 148 mGLU^F 94 3.27 58.13 21.72 3.85 57.37 21.44 4.25 59.61 20.01 4.84 58.67 19.53 3.52 59.51 21.36 4.27 60.23 22.45 2 0 12.74-999 ?-999 ?-999 ? O1 EDO F 148 mHIS^F 95 4.09 60.76 19.38 3.57 61.45 19.90 4.70 62.53 17.88 3.76 63.26 18.21 4.60 61.02 18.06 3.66 60.40 17.01 3 0 11.76-999 ?-999 ?-999 ? O2 EDO F 148 mGLN^F 96 5.84 62.99 17.40 6.57 62.30 17.33 6.64 64.39 15.61 7.50 63.57 15.32 6.01 64.38 17.02 6.93 65.13 18.00 2 0 14.16-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 97 6.18 65.27 14.72 5.36 65.77 14.98 7.18 66.93 13.26 6.30 67.77 13.45 6.87 65.45 13.44 6.06 64.92 12.25 3 0 14.52-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^F 98 8.41 67.26 12.93 9.05 66.49 12.92 9.18 68.76 11.14 10.06 68.04 10.69 8.75 68.65 12.60 9.83 69.18 13.54 2 0 17.71-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 99 8.51 69.64 10.39 7.77 70.09 10.88 9.54 71.25 8.86 9.03 72.30 9.32 8.84 69.90 8.99 7.53 69.89 8.14 3 0 19.34-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^F 100 10.73 71.25 8.25 11.05 70.35 7.94 11.92 72.45 6.66 12.93 71.85 6.38 11.46 72.48 8.07 12.66 72.64 9.04 2 0 22.34-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.F 101 11.15 73.07 5.76 10.33 73.49 6.12 11.42 71.72 3.77 10.36 71.11 3.81 11.53 73.10 4.37-999.99-999.99-999.99 1 0 23.98-999 ?-999 ?-999 ? O2 EDO F 148 mASP.F 102 12.51 71.26 3.17 13.29 71.89 3.21 12.93 68.78 3.44 13.21 67.70 2.89 12.57 69.97 2.53 13.64 69.99 1.43 2 0 22.14-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 103 13.02 68.97 4.76 12.83 69.90 5.06 12.33 67.80 6.72 11.84 68.85 7.19 13.37 67.87 5.66 14.79 68.04 6.31 3 0 19.19-999 ?-999 ?-999 ? O2 EDO F 148 mALA^F 104 11.96 66.57 7.12 12.39 65.82 6.62 11.64 65.35 9.15 12.30 64.41 8.71 11.01 66.35 8.18 9.72 65.79 7.63 2 0 16.39-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 105 11.43 65.57 10.45 10.93 66.41 10.65 10.71 64.13 12.27 9.94 64.92 12.86 11.92 64.64 11.48 12.91 65.34 12.43 3 0 14.35-999 ?-999 ?-999 ? O2 EDO F 148 mSER^F 106 10.51 62.82 12.24 11.16 62.35 11.64 10.13 61.36 14.17 11.07 60.60 13.98 9.48 62.10 12.99 8.75 61.10 12.07 2 0 11.27-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^F 107 9.63 61.57 15.38 8.94 62.30 15.42 8.82 60.23 17.19 7.88 60.97 17.55 10.04 60.81 16.53 10.85 61.69 17.51 2 0 10.76-999 ?-999 ?-999 ? O2 EDO F 148 mSER^F 108 8.83 58.92 17.35 9.66 58.45 17.02 8.08 57.11 18.90 9.14 56.53 18.82 7.70 58.24 17.95 6.71 57.77 16.88 2 0 8.90-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 109 7.16 56.84 19.83 6.34 57.42 19.78 5.97 55.06 20.77 4.91 55.68 20.73 7.28 55.82 20.82 7.46 56.40 22.19 3 0 9.36-999 ?-999 ?-999 ? O2 EDO F 148 mSER^F 110 6.05 53.74 20.67 6.99 53.40 20.62 5.03 51.76 21.60 6.11 51.51 22.10 4.86 52.90 20.63 4.59 52.36 19.24 2 0 8.06-999 ?-999 ?-999 ? O1 EDO F 148 mHIS^F 111 3.94 51.07 21.88 3.13 51.39 21.40 3.72 48.68 22.00 2.75 48.62 21.25 3.97 49.95 22.82 2.93 50.16 23.89 3 0 9.73-999 ?-999 ?-999 ? O1 EDO F 148 mALA^F 112 4.65 47.75 22.09 5.39 48.00 22.71 4.28 45.37 22.34 4.97 45.18 23.35 4.60 46.50 21.36 5.93 46.23 20.64 2 0 8.64-999 ?-999 ?-999 ? C1 EDO F 148 mGLN^F 113 3.21 44.64 22.04 2.73 44.93 21.22 2.43 42.31 22.02 1.69 42.46 21.05 2.80 43.50 22.88 1.52 43.80 23.68 2 0 11.63-999 ?-999 ?-999 ? C1 EDO F 148 mGLY^F 114 2.88 41.13 22.44 3.46 41.19 23.25 3.65 38.85 22.00 4.26 38.79 23.06 2.56 39.87 21.78-999.99-999.99-999.99 1 0 13.08-999 ?-999 ?-999 ? C1 EDO F 148 mGLU^F 115 3.91 38.06 20.95 3.37 38.25 20.14 5.63 36.94 19.65 5.04 37.24 18.61 4.91 37.03 21.00 4.25 35.68 21.30 2 0 14.39-999 ?-999 ?-999 ? C1 EDO F 148 mTYR^F 116 6.89 36.53 19.66 7.32 36.51 20.57 8.48 34.95 18.74 9.27 35.00 19.67 7.55 36.13 18.42 8.27 37.30 17.72 3 0 14.01-999 ?-999 ?-999 ? C1 EDO F 148 mLYS.F 117 8.37 33.86 18.01 7.63 33.88 17.33 9.34 32.31 19.70 10.43 32.13 20.26 9.29 32.73 18.23 10.69 33.14 17.77 2 0 17.37-999 ?-999 ?-999 ? C1 EDO F 148 mGLY.F 118 8.16 32.22 20.32 7.38 32.50 19.76 8.46 32.74 22.77 8.42 32.41 23.95 8.04 31.75 21.69-999.99-999.99-999.99 1 0 19.36-999 ?-999 ?-999 ? C1 EDO F 148 mLYS^F 119 8.87 33.95 22.40 8.84 34.13 21.42 8.19 35.92 23.55 7.70 36.48 22.56 9.30 34.91 23.40 10.62 35.57 23.00 2 0 17.70-999 ?-999 ?-999 ? C1 EDO F 148 mSER^F 120 7.77 36.13 24.79 8.20 35.55 25.48 7.35 38.53 24.94 8.40 38.85 25.50 6.78 37.13 25.11 6.32 36.96 26.55 2 0 16.84-999 ?-999 ?-999 ? C1 EDO F 148 mILE^F 121 6.65 39.36 24.19 5.80 38.98 23.81 6.17 41.72 24.67 4.95 41.66 24.54 7.11 40.72 23.98 7.20 41.02 22.48 3 0 13.62-999 ?-999 ?-999 ? C1 EDO F 148 mASP^F 122 6.77 42.64 25.42 7.76 42.54 25.49 7.04 44.81 26.26 7.82 44.80 27.22 6.03 43.69 26.06 5.42 43.23 27.38 2 0 13.88-999 ?-999 ?-999 ? C1 EDO F 148 mSER^F 123 7.06 45.75 25.32 6.37 45.67 24.60 7.67 48.05 24.64 6.80 48.01 23.78 8.05 46.81 25.40 9.40 46.32 24.87 2 0 12.46-999 ?-999 ?-999 ? C1 EDO F 148 mMETF 124 8.30 49.15 25.05 8.85 49.02 25.87 9.25 50.44 23.28 10.42 50.13 23.53 8.20 50.43 24.38 8.41 51.61 25.35 2 0 11.35-999 ?-999 ?-999 ? C1 EDO F 148 mTHR^F 125 8.82 50.75 22.08 7.84 50.95 22.03 9.86 52.26 20.58 8.97 53.06 20.86 9.71 50.80 20.94 9.12 50.04 19.80 2 0 8.35-999 ?-999 ?-999 ? O2 EDO F 148 mMETF 126 11.00 52.61 19.97 11.61 51.84 19.78 11.74 54.04 18.17 12.47 53.17 17.70 11.33 53.98 19.62 12.52 54.44 20.46 2 0 8.25-999 ?-999 ?-999 ? O2 EDO F 148 mGLU^F 127 11.43 55.15 17.54 10.97 55.84 18.10 12.02 56.80 15.80 11.23 57.69 16.15 11.75 55.33 16.13 10.56 54.90 15.28 2 0 -6.77-999 ?-999 ?-999 ? O2 EDO F 148s mTHR^F 128 13.17 57.04 15.24 13.80 56.26 15.25 13.55 58.12 13.15 14.27 57.24 12.66 13.49 58.31 14.66 14.86 58.86 15.14 2 0 9.49-999 ?-999 ?-999 ? O2 EDO F 148 mLEU^F 129 12.77 58.90 12.41 12.13 59.47 12.94 13.17 60.29 10.42 12.63 61.30 10.91 12.85 58.90 10.95 11.55 58.51 10.31 3 0 9.61-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^F 130 14.02 60.33 9.41 14.46 59.44 9.24 13.63 61.34 7.29 13.84 60.31 6.64 14.29 61.55 8.63 15.80 61.81 8.45 3 0 13.12-999 ?-999 ?-999 ? O2 EDO F 148 mLEU^F 131 12.81 62.31 6.87 12.63 63.02 7.55 12.65 63.56 4.74 12.76 64.64 5.29 12.22 62.32 5.53 10.69 62.29 5.59 3 0 14.21-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 132 12.91 63.36 3.44 12.82 62.40 3.18 12.24 64.52 1.42 11.76 63.50 0.90 13.29 64.42 2.51 14.65 64.10 1.85 3 0 17.83-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^F 133 11.90 65.75 1.08 12.36 66.46 1.62 11.68 66.02 -1.28 12.69 66.68 -1.46 10.95 66.06 0.03 10.38 67.45 0.26 2 0 20.03-999 ?-999 ?-999 ? O2 EDO F 148 mGLN.F 134 11.14 65.23 -2.20 10.27 64.82 -1.93 11.32 66.06 -4.47 10.50 66.90 -4.17 11.72 64.98 -3.47 11.27 63.60 -3.95 2 0 21.85-999 ?-999 ?-999 ? O2 EDO F 148 mALA.F 135 11.91 66.01 -5.65 12.51 65.23 -5.77 10.18 67.22 -7.09 9.79 68.28 -7.53 11.67 67.04 -6.67 12.52 66.74 -7.91 2 0 25.57-999 ?-999 ?-999 ? O2 EDO F 148 mASP.F 136 9.38 66.15 -7.01 9.86 65.33 -6.71 7.04 66.38 -6.11 5.86 66.22 -6.21 7.95 66.19 -7.32 7.52 64.89 -8.03 2 0 25.25-999 ?-999 ?-999 ? O2 EDO F 148 mGLY.F 137 7.63 66.66 -4.96 8.62 66.70 -5.02 6.71 65.72 -2.81 6.39 65.91 -1.64 6.87 66.91 -3.74-999.99-999.99-999.99 1 0 23.01-999 ?-999 ?-999 ? O2 EDO F 148 mARG.F 138 6.97 64.52 -3.30 7.28 64.51 -4.25 7.84 63.24 -1.37 9.04 63.43 -1.62 6.79 63.33 -2.45 6.82 62.05 -3.27 2 0 19.67-999 ?-999 ?-999 ? O2 EDO F 148 mTRP^F 139 7.39 62.88 -0.18 6.40 62.77 -0.15 8.75 61.23 0.97 7.95 60.30 0.77 8.27 62.69 0.97 7.57 63.00 2.28 3 0 16.68-999 ?-999 ?-999 ? O2 EDO F 148 mLYS^F 140 10.04 61.06 1.18 10.54 61.92 1.26 11.56 59.62 2.53 12.27 60.59 2.89 10.66 59.71 1.28 11.49 59.39 0.03 2 0 14.76-999 ?-999 ?-999 ? O2 EDO F 148 mILE^F 141 11.55 58.45 3.18 10.95 57.76 2.78 13.81 57.93 4.01 14.08 56.98 3.28 12.36 58.23 4.38 11.79 57.04 5.23 3 0 12.05-999 ?-999 ?-999 ? O2 EDO F 148 mTHR^F 142 14.73 58.74 4.52 14.36 59.43 5.14 16.98 58.04 5.32 18.10 57.61 5.13 16.15 58.59 4.18 16.79 59.92 3.76 2 0 14.25-999 ?-999 ?-999 ? O2 EDO F 148 mHIS^F 143 16.45 58.09 6.54 15.58 58.58 6.61 16.07 56.93 8.67 15.08 57.56 8.94 17.11 57.47 7.67 18.04 58.47 8.38 3 0 12.49-999 ?-999 ?-999 ? O2 EDO F 148 mVAL^F 144 16.38 55.76 9.22 17.25 55.40 8.87 16.45 54.65 11.34 17.48 54.07 11.09 15.56 55.07 10.22 14.92 53.83 9.65 3 0 9.19-999 ?-999 ?-999 ? O2 EDO F 148 mHIS^F 145 16.05 54.96 12.57 15.24 55.55 12.58 15.64 53.80 14.63 14.70 54.46 15.02 16.72 54.47 13.78 17.43 55.59 14.53 3 0 9.67-999 ?-999 ?-999 ? O2 EDO F 148 mTRP^F 146 15.75 52.48 14.80 16.52 52.08 14.31 15.54 51.12 16.87 16.70 50.68 16.82 14.84 51.67 15.61 14.26 50.48 14.82 3 0 7.64-999 ?-999 ?-999 ? O2 EDO F 148 mSER^F 147 14.84 51.21 17.99 14.00 51.75 17.91 14.10 50.16 20.11 12.93 50.51 19.88 15.29 50.57 19.23 16.26 51.47 20.00 2 0 9.89-999 ?-999 ?-999 ? O2 EDO F 148