HEADER UNKNOWN FUNCTION 07-JAN-05 1VQY COMPND HYPOTHETICAL PROTEIN AGR_PAT_315; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58 / ATCC 33970; SOURCE 5 GENE: AGR_PAT_315; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 15 8 HET MSE A 54 8 HET MSE B 1 8 HET MSE B 15 8 HET MSE B 54 8 HET MSE C 1 8 HET MSE C 15 8 HET MSE C 54 8 HET MSE D 1 8 HET MSE D 15 8 HET MSE D 54 8 HET MSE E 1 8 HET MSE E 15 8 HET MSE E 54 8 HET MSE F 1 8 HET MSE F 15 8 HET MSE F 54 8 HET MSE G 1 8 HET MSE G 15 8 HET MSE G 54 8 HET MSE H 1 8 HET MSE H 15 8 HET MSE H 54 8 HET PO4 G 105 5 SITE 1 AC1 3 PHE G 100 HOH G 112 HOH G 139 mHIS.A 0 149.06 47.83 17.67 149.27 48.39 18.48 147.96 45.72 16.80 147.17 45.26 15.98 148.74 47.00 16.47 150.03 46.67 15.69 3 0 53.39-999 ?-999 ?-999 ? O2 PO4 G 105 mMETA 1 148.19 45.13 17.97 148.87 45.60 18.54 146.08 44.28 18.79 145.88 45.32 19.40 147.48 43.91 18.38 148.17 43.24 19.58 2 0 51.85-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 2 145.12 43.43 18.47 145.40 42.67 17.87 143.35 42.50 19.93 143.82 41.33 19.86 143.77 43.61 18.97 142.73 43.77 17.81 3 0 49.77-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^A 3 142.43 42.88 20.82 142.14 43.83 20.73 140.37 41.80 21.68 139.63 42.76 21.61 141.89 41.98 21.83 142.26 42.52 23.22 3 0 47.02-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^A 4 139.93 40.56 21.58 140.66 39.88 21.47 138.16 39.77 23.06 138.80 38.89 23.62 138.51 40.22 21.64 138.16 39.11 20.64 2 0 46.54-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^A 5 137.15 40.41 23.65 136.82 41.21 23.14 135.25 39.35 24.62 134.40 39.99 24.00 136.60 39.97 24.92 136.43 41.13 25.90 2 0 43.18-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^A 6 135.09 38.11 25.06 135.89 37.72 25.51 133.32 37.22 26.31 134.10 37.02 27.23 133.85 37.37 24.91 134.11 36.03 24.22 2 0 43.51-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 7 132.01 37.39 26.48 131.50 37.51 25.62 130.13 36.55 27.69 129.21 36.92 26.95 131.37 37.39 27.79 130.95 38.80 28.20 3 0 40.48-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^A 8 130.10 35.41 28.39 130.93 35.22 28.92 128.21 34.53 29.70 128.84 34.64 30.78 128.93 34.53 28.36 129.29 33.10 27.97 3 0 41.06-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^A 9 126.88 34.43 29.63 126.52 34.54 28.70 125.64 32.74 30.72 125.00 32.32 29.76 126.03 34.20 30.78 124.77 35.07 30.74 2 0 38.95-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 10 126.03 31.97 31.74 126.49 32.46 32.48 124.47 30.20 32.48 124.12 30.83 33.48 125.78 30.52 31.76 126.98 29.76 32.44 3 0 40.47-999 ?-999 ?-999 ? O2 PO4 G 105 mARG.A 11 123.74 29.22 31.98 124.11 28.81 31.14 122.73 28.39 34.09 123.76 27.78 34.45 122.50 28.80 32.63 121.84 27.66 31.84 2 0 40.90-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.A 12 121.77 28.74 34.94 121.00 29.20 34.50 122.06 27.01 36.67 121.33 26.17 36.16 121.85 28.48 36.37-999.99-999.99-999.99 1 0 38.54-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.A 13 123.07 26.71 37.49 123.55 27.52 37.85 124.38 24.65 36.88 124.86 23.56 37.18 123.43 25.34 37.85-999.99-999.99-999.99 1 0 40.00-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~A 14 124.68 25.26 35.74 124.34 26.20 35.69 126.93 25.04 34.59 127.64 24.64 33.66 125.45 24.59 34.68 124.75 24.80 33.32 2 0 42.64-999 ?-999 ?-999 ? O2 PO4 G 105 mMETA 15 127.40 25.84 35.54 126.77 26.02 36.29 129.85 25.34 35.49 130.75 25.34 34.68 128.76 26.41 35.44 129.01 27.45 36.54 2 0 41.10-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~A 16 129.76 24.43 36.45 128.98 24.52 37.06 130.78 22.51 35.31 131.85 22.12 34.84 130.78 23.39 36.55 130.65 22.57 37.84 2 0 43.05-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~A 17 129.60 22.23 34.77 128.83 22.56 35.31 130.17 22.21 32.38 130.94 21.60 31.62 129.45 21.49 33.51 127.96 21.38 33.17 2 0 46.16-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR~A 18 129.93 23.52 32.28 129.31 23.88 32.98 132.05 24.31 31.32 132.74 24.21 30.30 130.53 24.33 31.25 130.00 25.78 31.33 3 0 45.67-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~A 19 132.59 24.43 32.53 131.94 24.41 33.29 134.76 23.26 32.36 135.83 23.28 31.72 134.04 24.57 32.69 134.41 25.09 34.09 3 0 45.27-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~A 20 134.16 22.15 32.78 133.32 22.32 33.30 134.80 20.52 31.00 135.82 20.00 30.56 134.65 20.81 32.50 133.71 19.77 33.13 2 0 48.31-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~A 21 133.76 20.83 30.23 132.97 21.19 30.72 134.97 21.46 28.14 135.70 20.94 27.29 133.82 20.65 28.78 132.48 21.04 28.15 3 0 50.60-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL~A 22 135.10 22.73 28.54 134.41 23.02 29.21 137.52 23.15 28.56 138.51 23.10 27.80 136.15 23.61 28.05 135.91 25.10 28.46 3 0 49.58-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~A 23 137.59 22.83 29.85 136.74 22.92 30.36 139.33 21.11 29.76 140.49 20.99 29.41 138.84 22.39 30.43 138.70 22.16 31.93 2 0 49.63-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~A 24 138.43 20.15 29.59 137.48 20.44 29.73 138.87 18.54 27.71 139.63 17.69 27.26 138.82 18.80 29.21 137.90 17.82 29.92 2 0 52.95-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~A 25 138.10 19.32 26.94 137.59 20.01 27.45 138.17 20.46 24.70 139.00 20.54 23.81 138.00 19.16 25.50 136.63 18.60 25.13 2 0 54.86-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~A 26 137.34 21.45 25.00 136.81 21.31 25.84 138.50 23.43 23.94 138.85 23.76 22.80 137.22 22.64 24.16-999.99-999.99-999.99 1 0 53.24-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~A 27 139.20 23.73 25.02 138.90 23.26 25.86 141.52 24.07 24.21 142.25 24.78 23.50 140.32 24.66 24.97 140.66 25.19 26.42 3 0 52.30-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~A 28 141.70 22.76 24.32 141.04 22.31 24.93 142.59 22.15 22.09 143.59 22.12 21.35 142.76 22.05 23.61 142.78 20.61 24.03 2 0 55.72-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~A 29 141.35 22.25 21.64 140.65 22.20 22.35 141.18 23.90 19.81 141.88 24.25 18.88 141.06 22.43 20.20 139.63 21.96 19.87 3 0 57.34-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~A 30 140.49 24.74 20.56 140.12 24.31 21.38 141.59 26.98 20.29 141.84 27.80 19.41 140.30 26.13 20.23 139.25 26.68 21.21 2 0 54.92-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~A 31 142.40 26.76 21.32 142.12 25.99 21.90 144.64 27.50 20.45 145.09 28.53 19.97 143.59 27.57 21.56 144.22 27.23 22.92 2 0 54.26-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO~A 32 145.05 26.28 20.07 144.70 25.50 20.57 145.52 27.04 17.75 146.31 27.81 17.20 145.98 26.22 18.95 146.02 24.72 18.61 3 0 57.87-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~A 33 144.25 26.89 17.38 143.70 26.34 18.01 143.70 29.01 16.26 144.22 29.72 15.39 143.74 27.49 16.15 142.35 26.92 15.78 3 0 58.51-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~A 34 143.11 29.51 17.34 142.81 28.82 18.00 144.21 31.66 17.93 144.39 32.83 17.60 142.92 30.96 17.54 141.81 31.25 18.56 3 0 55.41-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~A 35 145.08 30.96 18.64 144.69 30.18 19.13 146.99 32.04 19.92 148.16 31.91 20.28 146.49 31.32 18.69-999.99-999.99-999.99 1 0 55.73-999 ?-999 ?-999 ? O2 PO4 G 105 mASN.A 36 146.14 32.82 20.56 145.21 32.84 20.19 145.49 33.81 22.76 144.99 34.94 22.92 146.58 33.57 21.72 147.20 34.90 21.27 2 0 52.39-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^A 37 145.12 32.74 23.47 145.46 31.87 23.10 145.07 33.70 25.69 146.19 33.35 26.07 144.30 32.86 24.68 144.00 31.49 25.28 3 0 49.45-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 38 144.50 34.82 26.10 143.60 35.00 25.70 144.71 35.33 28.46 145.53 35.18 29.35 145.15 35.70 27.05 144.81 37.17 26.75 3 0 46.70-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY^A 39 143.40 35.18 28.65 142.86 35.33 27.82 141.44 34.24 29.88 140.76 34.40 28.87 142.84 34.83 29.95-999.99-999.99-999.99 1 0 43.90-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^A 40 141.03 33.57 30.96 141.69 33.58 31.71 139.25 32.94 32.47 139.94 32.48 33.38 139.74 32.88 31.02 139.88 31.43 30.51 3 0 42.86-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE^A 41 138.08 33.52 32.69 137.54 33.68 31.86 136.18 33.59 34.34 135.33 33.60 33.44 137.64 33.89 34.05 137.85 35.38 34.30 3 0 39.29-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^A 42 135.89 33.34 35.62 136.71 33.27 36.19 134.33 34.28 37.15 135.13 34.40 38.08 134.53 33.18 36.13 134.35 31.83 36.84 3 0 37.18-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR^A 43 133.28 35.08 36.98 132.69 34.85 36.21 132.63 35.75 39.26 131.74 34.92 39.40 133.04 36.22 37.86 131.94 37.11 37.29 2 0 33.58-999 ?-999 ?-999 ? O2 PO4 G 105 mASP^A 44 133.29 36.31 40.27 134.03 36.90 39.96 132.06 37.20 42.24 131.17 36.95 43.06 132.96 36.08 41.69 134.25 35.97 42.53 2 0 30.99-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 45 132.31 38.44 41.79 133.06 38.50 41.14 131.20 40.53 41.08 132.08 41.04 40.39 131.53 39.59 42.25 132.25 40.37 43.37 3 0 27.86-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.A 46 129.90 40.76 40.91 129.34 40.45 41.68 128.27 40.52 39.13 127.49 39.88 39.85 129.36 41.41 39.73-999.99-999.99-999.99 1 0 28.10-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.A 47 128.18 40.50 37.79 128.77 41.13 37.29 127.67 38.15 37.42 128.80 37.80 37.15 127.23 39.58 37.19 127.27 39.95 35.69 3 0 30.79-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.A 48 126.75 37.33 37.91 125.83 37.71 37.95 126.65 34.94 37.30 125.87 35.22 36.38 127.09 35.99 38.33 126.52 35.72 39.73 3 0 32.09-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.A 49 127.20 33.74 37.45 127.62 33.58 38.34 127.67 33.33 35.08 127.07 33.13 34.01 127.18 32.74 36.40 125.79 32.14 36.27 2 0 35.69-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN^A 50 128.79 34.05 35.15 129.19 34.06 36.07 130.81 34.25 33.75 131.60 34.18 34.69 129.36 34.74 34.00 129.33 36.25 34.26 2 0 36.51-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^A 51 131.12 33.87 32.50 130.32 33.76 31.91 132.97 34.71 31.09 132.24 35.13 30.20 132.50 33.63 32.06 132.77 32.24 31.37 3 0 39.33-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 52 134.22 35.13 31.25 134.69 34.73 32.03 136.10 35.41 29.81 136.89 34.89 30.60 134.83 36.07 30.35 135.15 37.35 31.12 3 0 39.92-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS^A 53 136.26 35.40 28.49 135.45 35.66 27.97 138.07 36.08 26.89 137.32 36.73 26.17 137.54 35.03 27.87 137.56 33.61 27.26 3 0 43.29-999 ?-999 ?-999 ? O2 PO4 G 105 mMETA 54 139.38 36.25 26.92 139.87 35.67 27.57 141.03 36.48 25.17 141.73 35.56 25.59 140.06 37.19 26.07 140.81 38.22 26.87 2 0 44.60-999 ?-999 ?-999 ? O2 PO4 G 105 mTRP^A 55 141.04 36.96 23.93 140.43 37.74 23.81 142.56 37.58 22.19 142.01 38.67 22.01 141.84 36.42 22.85 140.92 35.74 21.85 3 0 48.24-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY^A 56 143.82 37.35 21.83 144.15 36.43 22.07 144.80 37.99 19.71 144.82 36.80 19.36 144.62 38.36 21.16-999.99-999.99-999.99 1 0 49.99-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^A 57 144.91 39.00 18.86 144.82 39.90 19.28 146.09 39.84 16.84 146.11 40.99 17.30 145.16 38.77 17.43 143.85 38.75 16.64 3 0 53.17-999 ?-999 ?-999 ? O2 PO4 G 105 mALA.A 58 146.86 39.45 15.83 146.78 38.48 15.59 146.92 41.45 14.37 147.29 42.62 14.32 147.73 40.39 15.13 148.65 39.64 14.19 2 0 55.69-999 ?-999 ?-999 ? O2 PO4 G 105 mSER~A 59 145.80 41.02 13.77 145.62 40.05 13.87 143.51 41.40 13.00 143.24 40.27 13.41 144.94 41.93 13.05 145.47 42.15 11.63 2 0 55.87-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~A 60 142.61 42.22 12.49 142.95 43.12 12.20 141.03 40.79 11.26 140.12 39.95 11.34 141.22 41.81 12.39 140.28 43.02 12.24 3 0 55.14-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~A 61 141.87 40.83 10.22 142.55 41.55 10.24 142.49 38.53 9.47 142.14 37.48 8.96 141.72 39.83 9.16 142.02 40.40 7.75 2 0 58.79-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~A 62 143.51 38.62 10.31 143.82 39.56 10.48 143.11 36.75 11.84 143.01 35.51 11.86 144.13 37.44 10.94 145.34 37.85 11.76 2 0 58.78-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~A 63 142.35 37.55 12.60 142.57 38.52 12.52 140.30 36.22 12.65 139.95 35.10 13.04 141.29 37.03 13.46 140.57 38.18 14.20 2 0 55.74-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~A 64 139.84 36.78 11.54 140.30 37.65 11.32 139.21 34.90 10.09 138.43 33.94 9.99 138.76 36.20 10.72 138.36 37.19 9.62 2 0 57.70-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~A 65 140.46 34.89 9.66 140.92 35.78 9.75 141.20 32.59 10.14 140.90 31.43 9.85 141.11 33.71 9.09 142.50 34.09 8.55 2 0 60.74-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~A 66 141.60 32.94 11.36 141.81 33.92 11.46 140.35 31.50 12.90 140.12 30.30 13.04 141.71 31.97 12.44 142.52 32.53 13.62 2 0 58.76-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~A 67 139.44 32.45 13.11 139.77 33.39 12.97 137.38 31.28 12.43 136.54 30.44 12.75 138.07 32.10 13.50 137.24 33.34 13.85 2 0 56.73-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~A 68 137.74 31.53 11.17 138.35 32.32 11.08 137.77 29.30 10.11 137.00 28.35 9.95 137.27 30.73 10.04-999.99-999.99-999.99 1 0 60.12-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~A 69 139.06 29.14 10.37 139.58 29.99 10.44 138.96 27.02 11.65 138.75 25.82 11.52 139.63 27.81 10.52 141.16 27.88 10.72 2 0 61.65-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~A 70 138.60 27.72 12.74 138.83 28.69 12.68 136.55 26.55 13.54 136.22 25.41 13.87 137.94 27.09 13.89 137.82 28.08 15.06 3 0 58.76-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~A 71 135.76 27.39 12.88 136.20 28.27 12.68 134.27 25.82 11.61 133.22 25.16 11.62 134.38 27.07 12.47 133.77 28.24 11.72 2 0 59.16-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~A 72 135.33 25.52 10.86 136.10 26.14 10.98 136.18 23.22 10.50 136.30 22.19 9.84 135.35 24.38 9.97 135.84 24.80 8.58 2 0 62.82-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~A 73 136.75 23.38 11.70 136.67 24.30 12.09 136.38 21.25 12.79 135.42 21.61 13.45 137.42 22.26 12.36 138.21 22.72 13.59 2 0 62.45-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~A 74 136.59 19.98 12.41 137.46 19.84 11.94 135.41 18.61 14.15 134.30 18.25 14.54 135.63 18.92 12.67 136.05 17.63 11.96 2 0 63.77-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~A 75 136.46 18.71 14.96 137.31 18.98 14.51 135.53 19.54 17.05 134.68 19.29 17.90 136.32 18.44 16.38 137.68 18.29 17.03 2 0 61.38-999 ?-999 ?-999 ? O2 PO4 G 105 mTRP~A 76 135.79 20.78 16.64 136.52 20.84 15.95 133.61 21.90 16.76 132.75 22.25 17.55 135.07 21.93 17.16 135.71 23.22 16.66 3 0 58.37-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~A 77 133.35 21.47 15.52 134.17 21.31 14.97 131.20 20.25 15.88 129.99 20.39 16.06 131.98 21.28 15.04 131.99 20.87 13.56 2 0 59.86-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~A 78 131.90 19.24 16.38 132.87 19.24 16.12 131.12 18.75 18.64 130.18 18.38 19.34 131.28 18.22 17.22 132.12 16.93 17.22 2 0 59.99-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE~A 79 132.03 19.61 19.06 132.67 19.91 18.35 131.12 21.20 20.73 130.43 21.17 21.74 132.09 20.06 20.44 133.53 20.49 20.80 3 0 56.52-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~A 80 131.07 22.19 19.84 131.54 21.99 18.98 128.85 23.34 20.41 128.34 24.08 21.25 130.37 23.45 20.13 130.75 24.58 19.07 3 0 54.34-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO~A 81 128.12 22.41 19.75 128.60 21.93 19.01 126.47 21.72 21.58 125.42 22.02 22.16 126.71 22.17 20.13 126.27 21.04 19.19 3 0 54.77-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~A 82 127.43 21.01 22.16 128.21 20.80 21.57 127.55 21.70 24.51 127.02 21.71 25.61 127.31 20.57 23.53 128.25 19.40 23.79 2 0 53.34-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~A 83 128.38 22.65 24.12 128.78 22.51 23.21 127.52 24.83 24.83 127.09 25.41 25.82 128.65 23.80 24.96 129.97 24.43 24.54 3 0 50.24-999 ?-999 ?-999 ? O2 PO4 G 105 mSER~A 84 127.04 25.03 23.60 127.44 24.43 22.91 124.70 25.88 24.08 124.04 26.87 24.43 126.02 26.04 23.30 125.73 26.06 21.80 2 0 49.83-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL~A 85 124.34 24.64 24.37 124.99 23.94 24.06 123.14 24.79 26.56 122.11 24.86 27.21 123.11 24.33 25.09 122.79 22.80 24.97 3 0 49.47-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.A 86 124.34 25.09 27.08 125.09 24.94 26.44 124.64 27.11 28.56 124.65 27.65 29.66 124.53 25.57 28.46 125.80 24.98 29.07 3 0 46.17-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 87 124.72 27.77 27.41 124.66 27.19 26.59 123.54 29.91 27.18 122.81 29.62 26.24 124.89 29.22 27.33 125.78 29.62 26.14 3 0 44.64-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^A 88 123.21 30.81 28.11 123.92 30.98 28.79 122.00 32.74 27.20 121.07 33.01 26.46 121.93 31.49 28.09 121.45 31.79 29.53 2 0 42.62-999 ?-999 ?-999 ? O2 PO4 G 105 mSER^A 89 123.13 33.46 27.25 123.78 33.14 27.93 124.86 34.94 26.22 125.69 34.60 27.08 123.36 34.61 26.37 122.62 35.87 26.87 2 0 42.26-999 ?-999 ?-999 ? O2 PO4 G 105 mSER^A 90 125.20 35.62 25.14 124.44 35.91 24.56 126.72 37.21 24.09 125.78 37.65 23.42 126.61 35.91 24.85 127.28 34.76 24.07 2 0 43.04-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^A 91 127.89 37.82 24.24 128.50 37.38 24.90 129.77 39.09 23.44 130.48 38.39 24.18 128.24 39.02 23.52 127.69 40.26 24.24 2 0 42.96-999 ?-999 ?-999 ? O2 PO4 G 105 mASN^A 92 130.26 39.91 22.52 129.57 40.35 21.94 131.93 41.59 22.00 131.00 42.35 21.70 131.68 40.14 22.39 132.32 39.17 21.38 2 0 44.08-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^A 93 133.19 41.98 22.05 133.83 41.29 22.37 135.04 43.33 21.27 135.80 42.49 21.72 133.56 43.32 21.65 133.24 44.31 22.77 2 0 44.06-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^A 94 135.42 44.27 20.41 134.68 44.84 20.05 137.42 45.60 20.83 136.91 46.73 20.81 136.81 44.45 20.04 136.99 44.69 18.54 3 0 46.08-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^A 95 138.51 45.28 21.52 138.79 44.32 21.41 140.55 46.53 21.70 141.23 45.62 21.22 139.23 46.22 22.35 139.49 45.61 23.72 3 0 44.33-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^A 96 140.88 47.82 21.66 140.16 48.42 21.97 143.03 48.76 22.40 142.67 49.75 23.04 142.19 48.29 21.19 142.02 49.47 20.22 3 0 46.07-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO^A 97 144.13 48.06 22.70 144.31 47.27 22.11 145.54 49.82 23.69 145.86 50.25 22.60 144.98 48.43 23.83 146.13 47.42 23.75 3 0 45.01-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR.A 98 145.70 50.51 24.81 145.36 50.08 25.64 147.86 51.64 24.60 148.37 50.53 24.71 146.34 51.82 24.76 146.02 52.65 26.01 2 0 44.38-999 ?-999 ?-999 ? O2 PO4 G 105 mASP.A 99 148.57 52.72 24.32 148.04 53.55 24.19 150.71 52.50 25.60 151.93 52.43 25.68 150.04 52.64 24.23 150.62 53.82 23.42 2 0 46.78-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE.A 100 149.91 52.46 26.67 148.95 52.62 26.46 149.85 50.95 28.63 149.95 50.76 29.82 150.43 52.21 28.01 150.20 53.42 28.93 3 0 44.06-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.A 101 149.25 50.09 27.82 149.23 50.40 26.86 149.82 47.82 28.24 150.50 47.72 27.25 148.69 48.83 28.26 147.56 48.40 27.31 2 0 43.32-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.A 102 150.04 47.09 29.34 149.53 47.37 30.16 150.66 44.88 28.24 151.57 44.26 27.68 150.98 45.97 29.28 150.96 45.40 30.72 3 0 44.58-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.A 103 149.38 44.68 27.98 148.75 45.13 28.60 148.76 44.75 25.70 147.77 45.47 25.68 148.97 43.85 26.87 147.65 43.13 27.18 3 0 45.77-999 ?-999 ?-999 ? O2 PO4 G 105 mARG.A 104 149.68 44.73 24.75 150.42 44.07 24.91 150.54 45.12 22.47 151.38 44.24 22.68 149.61 45.59 23.58 149.87 47.05 23.97 2 0 48.25-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.B -9 152.10 35.01 23.11 151.84 35.97 23.18 152.19 32.78 24.31 151.55 33.32 25.23 152.49 33.56 23.00 153.97 33.42 22.54 2 0 54.38-999 ?-999 ?-999 ? O2 PO4 G 105 mASP.B -8 152.60 31.52 24.35 153.14 31.25 23.55 152.79 31.11 26.83 153.69 31.95 26.92 152.30 30.61 25.47 152.94 29.23 25.21 2 0 53.91-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS.B -7 152.18 30.58 27.88 151.36 30.06 27.65 152.97 29.38 29.82 152.51 28.34 29.30 152.66 30.74 29.25 151.63 31.42 30.15 2 0 51.56-999 ?-999 ?-999 ? O2 PO4 G 105 mILE.B -6 153.76 29.38 30.88 154.02 30.29 31.20 154.10 28.35 33.03 154.57 29.34 33.58 154.20 28.16 31.52 155.64 27.77 31.05 3 0 52.45-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.B -5 153.43 27.40 33.67 153.06 26.69 33.07 153.74 26.07 35.72 153.59 25.00 35.11 153.24 27.40 35.13 151.75 27.59 35.47 3 0 50.29-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.B -4 154.35 26.14 36.89 154.49 27.07 37.23 154.10 24.80 39.00 153.80 23.69 39.44 154.75 24.91 37.61 156.29 24.82 37.69 3 0 51.47-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.B -3 153.89 25.93 39.67 154.23 26.75 39.20 152.12 27.04 40.96 152.25 28.06 40.28 153.21 25.98 40.97 154.20 26.30 42.09 3 0 48.29-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.B -2 151.04 26.80 41.72 151.07 25.92 42.18 150.34 28.95 42.71 151.07 28.81 43.70 149.94 27.76 41.84 148.69 27.07 42.42 3 0 44.74-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.B -1 149.90 30.14 42.31 149.59 30.16 41.36 148.43 31.89 43.09 147.90 32.03 41.97 149.85 31.31 43.19 150.93 32.33 42.80 3 0 41.81-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.B 0 147.80 32.18 44.23 148.34 32.03 45.05 146.39 34.13 43.70 147.17 34.99 44.14 146.42 32.69 44.22 145.77 32.60 45.60 3 0 38.31-999 ?-999 ?-999 ? O2 PO4 G 105 mMETB 1 145.51 34.37 42.74 144.94 33.59 42.48 143.97 35.96 41.67 143.30 35.11 41.09 145.40 35.67 42.12 146.35 35.76 40.93 2 0 36.93-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^B 2 143.52 37.17 41.95 144.13 37.73 42.51 142.48 38.77 40.51 143.54 39.39 40.54 142.23 37.62 41.46 141.26 37.95 42.61 3 0 34.33-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^B 3 141.51 39.01 39.64 140.72 38.40 39.73 140.37 41.00 38.76 139.23 40.56 38.76 141.59 40.06 38.63 141.64 39.44 37.21 3 0 34.49-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^B 4 140.63 42.30 38.87 141.60 42.54 38.95 139.42 43.91 37.48 140.39 44.43 36.93 139.56 43.27 38.86 139.78 44.37 39.89 2 0 31.75-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^B 5 138.20 43.89 36.95 137.55 43.35 37.48 137.06 45.85 36.03 136.02 45.76 36.63 137.85 44.58 35.71 137.03 43.67 34.80 2 0 32.81-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^B 6 137.60 47.00 35.66 138.53 46.92 35.32 136.51 48.78 34.34 137.29 48.68 33.41 136.88 48.27 35.74 137.73 49.29 36.47 2 0 31.11-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^B 7 135.29 49.28 34.21 134.84 49.47 35.08 134.01 50.85 33.03 133.05 50.99 33.77 134.66 49.51 32.90 133.59 48.42 32.56 3 0 32.38-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^B 8 134.57 51.86 32.35 135.36 51.60 31.79 133.47 53.63 31.12 134.08 53.36 30.09 134.06 53.22 32.45 135.16 54.22 32.79 3 0 31.91-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^B 9 132.29 54.27 31.15 131.81 54.22 32.03 132.21 56.42 30.12 131.85 57.10 31.08 131.78 54.99 29.99 130.25 54.89 29.86 2 0 33.34-999 ?-999 ?-999 ? O4 PO4 G 105 mILE^B 10 132.99 56.88 29.14 133.18 56.20 28.43 132.53 59.21 28.42 131.83 58.84 27.49 133.50 58.26 29.11 134.88 58.30 28.41 3 0 34.39-999 ?-999 ?-999 ? O4 PO4 G 105 mARG.B 11 132.50 60.44 28.88 133.12 60.61 29.64 132.04 61.75 26.87 133.25 61.80 26.55 131.62 61.46 28.31 131.61 62.72 29.19 2 0 34.65-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY.B 12 131.04 61.90 26.00 130.13 61.81 26.39 132.21 63.35 24.39 132.07 64.39 25.04 131.27 62.17 24.58-999.99-999.99-999.99 1 0 38.22-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY.B 13 133.18 63.18 23.50 133.18 62.29 23.03 135.36 64.24 24.17 136.28 65.03 23.97 134.16 64.22 23.23-999.99-999.99-999.99 1 0 40.44-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~B 14 135.38 63.34 25.16 134.65 62.66 25.10 137.44 62.23 26.19 138.37 62.22 26.98 136.41 63.37 26.23 135.71 63.44 27.60 2 0 38.24-999 ?-999 ?-999 ? O4 PO4 G 105 mMETB 15 137.31 61.30 25.26 136.56 61.46 24.61 139.69 60.50 25.19 140.48 59.92 25.94 138.21 60.15 25.22 137.89 59.17 24.07 2 0 39.66-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~B 16 140.08 61.43 24.32 139.34 61.84 23.79 142.01 62.54 25.42 143.18 62.43 25.76 141.50 61.78 24.20 141.77 62.58 22.92 2 0 42.01-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~B 17 141.14 63.30 26.05 140.24 63.35 25.62 141.66 63.01 28.45 142.64 63.06 29.19 141.49 64.01 27.29 140.43 65.05 27.61 2 0 39.45-999 ?-999 ?-999 ? O4 PO4 G 105 mTYR~B 18 140.69 62.10 28.59 139.91 62.24 27.98 142.10 60.24 29.38 142.85 60.08 30.34 140.78 60.99 29.55 139.62 59.99 29.37 3 0 36.92-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~B 19 142.35 59.77 28.16 141.64 59.98 27.49 144.85 59.78 28.12 145.83 59.19 28.58 143.55 59.03 27.83 143.52 58.64 26.36 3 0 39.77-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~B 20 144.85 61.08 27.82 143.97 61.43 27.50 146.39 62.07 29.43 147.56 62.00 29.80 146.02 61.91 27.97 145.81 63.29 27.33 2 0 41.06-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~B 21 145.38 62.32 30.26 144.50 62.47 29.81 146.20 61.08 32.25 147.14 61.12 33.05 145.60 62.37 31.70 144.28 62.66 32.43 3 0 37.82-999 ?-999 ?-999 ? O4 PO4 G 105 mVAL~B 22 145.68 59.94 31.81 144.96 60.03 31.13 147.59 58.42 31.80 148.51 58.16 32.58 146.17 58.68 32.33 145.18 57.51 32.04 3 0 37.58-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~B 23 147.76 58.54 30.49 146.92 58.74 29.99 150.18 59.20 30.54 151.22 58.66 30.96 149.09 58.39 29.84 149.01 58.81 28.37 2 0 41.36-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~B 24 149.92 60.50 30.69 148.98 60.75 30.47 151.11 61.60 32.63 152.18 62.02 33.08 150.92 61.47 31.12 150.57 62.83 30.53 2 0 41.62-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~B 25 150.09 61.25 33.42 149.30 60.88 32.93 149.70 60.16 35.67 150.45 59.64 36.50 150.17 61.39 34.88 149.34 62.59 35.33 2 0 38.39-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY~B 26 148.49 59.69 35.40 148.11 60.00 34.53 148.37 57.40 36.48 148.49 56.91 37.60 147.80 58.79 36.32-999.99-999.99-999.99 1 0 35.67-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~B 27 148.75 56.79 35.37 148.67 57.34 34.54 150.63 55.32 36.07 150.96 54.29 36.68 149.24 55.42 35.39 149.21 54.80 33.94 3 0 37.52-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~B 28 151.40 56.40 36.00 151.03 57.14 35.44 152.55 56.53 38.24 153.45 56.10 38.96 152.69 56.49 36.70 153.51 57.69 36.20 2 0 39.11-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~B 29 151.42 57.06 38.71 150.84 57.46 38.01 150.42 55.73 40.53 150.84 55.05 41.44 151.08 57.04 40.14 150.08 58.16 40.48 3 0 35.68-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~B 30 149.36 55.41 39.79 149.23 56.04 39.02 149.19 52.91 40.06 149.04 52.14 41.01 148.48 54.28 40.04 147.37 54.30 38.95 2 0 33.85-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~B 31 149.97 52.60 39.02 150.19 53.38 38.43 151.42 50.70 39.86 151.24 49.59 40.37 150.45 51.22 38.80 151.03 51.04 37.39 2 0 36.52-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO~B 32 152.46 51.49 40.20 152.54 52.35 39.70 152.72 50.71 42.57 153.24 49.83 43.29 153.39 51.08 41.24 154.26 52.33 41.43 3 0 37.38-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~B 33 151.61 51.38 42.87 151.30 51.99 42.14 149.97 50.04 44.10 150.02 49.18 44.97 150.89 51.24 44.14 150.06 52.52 44.46 3 0 33.73-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~B 34 149.13 49.97 43.08 149.18 50.75 42.46 148.99 47.57 42.52 148.59 46.46 42.84 148.22 48.84 42.93 147.10 49.19 41.95 3 0 32.78-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~B 35 150.10 47.74 41.81 150.15 48.62 41.34 151.11 45.71 40.59 152.16 45.12 40.29 151.13 46.71 41.74-999.99-999.99-999.99 1 0 36.29-999 ?-999 ?-999 ? O2 PO4 G 105 mASN.B 36 149.96 45.50 39.96 149.18 46.00 40.34 148.80 44.98 37.76 147.74 44.35 37.68 149.87 44.60 38.81 149.69 43.15 39.29 2 0 37.74-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^B 37 149.10 45.99 36.95 149.94 46.47 37.19 148.37 45.24 34.77 149.48 44.80 34.44 148.26 46.34 35.81 148.69 47.68 35.20 3 0 38.05-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^B 38 147.23 44.80 34.25 146.42 45.29 34.58 147.01 44.24 31.87 147.73 43.88 30.97 147.19 43.71 33.28 146.03 42.72 33.58 3 0 39.98-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY^B 39 146.01 45.09 31.69 145.51 45.32 32.53 144.86 46.90 30.49 144.25 47.16 31.51 145.67 45.64 30.38-999.99-999.99-999.99 1 0 40.68-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^B 40 144.86 47.72 29.45 145.40 47.37 28.68 143.64 49.23 28.01 144.44 49.34 27.08 144.14 48.99 29.45 145.06 50.12 29.93 3 0 39.77-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE^B 41 142.32 49.29 27.83 141.79 49.40 28.67 140.68 50.28 26.24 140.06 50.81 27.15 141.72 49.19 26.51 141.02 47.84 26.32 3 0 41.02-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^B 42 140.51 50.61 24.96 141.21 50.24 24.36 138.65 50.58 23.50 139.27 49.98 22.63 139.40 51.43 24.50 139.90 52.74 23.83 3 0 41.45-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR^B 43 137.33 50.49 23.64 136.96 51.08 24.35 136.32 50.21 21.44 135.96 51.37 21.36 136.50 49.59 22.82 135.10 49.37 23.46 2 0 42.24-999 ?-999 ?-999 ? O2 PO4 G 105 mASP^B 44 136.55 49.43 20.39 136.90 48.52 20.62 135.01 49.36 18.42 134.40 50.01 17.59 136.32 49.89 19.01 137.49 49.48 18.10 2 0 45.70-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^B 45 134.62 48.17 18.84 135.28 47.71 19.43 132.64 47.00 19.69 133.13 46.05 20.30 133.32 47.59 18.45 133.47 46.52 17.35 3 0 45.89-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.B 46 131.51 47.59 20.06 131.20 48.30 19.42 130.17 48.50 21.81 129.81 49.39 21.03 130.78 47.23 21.27-999.99-999.99-999.99 1 0 42.75-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.B 47 130.03 48.59 23.15 130.16 47.74 23.65 130.85 50.83 23.53 131.99 50.45 23.75 129.70 49.88 23.79 129.59 49.55 25.29 3 0 39.59-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.B 48 130.57 52.02 23.02 129.60 52.23 22.92 131.82 53.97 23.70 131.10 53.96 24.69 131.64 52.92 22.64 131.39 53.53 21.26 3 0 40.64-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.B 49 132.80 54.85 23.49 133.17 54.80 22.56 133.51 55.03 25.82 133.20 55.53 26.91 133.29 55.77 24.50 132.37 56.99 24.63 2 0 38.90-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN^B 50 134.08 53.83 25.68 134.39 53.66 24.75 135.72 52.60 26.99 136.45 52.27 26.06 134.23 52.87 26.76 133.53 51.53 26.40 2 0 37.36-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^B 51 136.16 52.72 28.24 135.50 53.15 28.86 137.39 51.00 29.52 136.46 50.86 30.28 137.49 52.28 28.65 138.21 53.39 29.44 3 0 36.80-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^B 52 138.35 50.10 29.42 139.03 50.33 28.73 139.79 48.65 30.75 140.72 48.59 29.94 138.37 48.88 30.26 137.94 47.63 29.45 3 0 36.34-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS^B 53 139.97 48.52 32.06 139.15 48.67 32.61 141.26 47.06 33.64 140.32 46.95 34.42 141.30 48.18 32.60 142.07 49.40 33.14 3 0 35.88-999 ?-999 ?-999 ? O2 PO4 G 105 mMETB 54 142.29 46.22 33.59 142.99 46.46 32.92 143.57 45.11 35.39 144.68 45.49 34.98 142.38 45.05 34.46 142.45 43.78 33.63 2 0 35.89-999 ?-999 ?-999 ? O2 PO4 G 105 mTRP^B 55 143.32 44.71 36.63 142.39 44.35 36.76 144.40 43.46 38.43 143.37 42.92 38.83 144.31 44.78 37.71 143.91 45.85 38.70 3 0 34.70-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY^B 56 145.63 42.96 38.60 146.36 43.53 38.22 146.15 41.97 40.76 146.87 42.93 41.10 145.90 41.71 39.29-999.99-999.99-999.99 1 0 35.84-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^B 57 145.55 41.15 41.62 144.92 40.50 41.20 145.93 39.80 43.66 145.45 38.82 43.07 145.80 41.20 43.06 144.69 41.94 43.80 3 0 33.74-999 ?-999 ?-999 ? O2 PO4 G 105 mALA.B 58 146.57 39.71 44.82 146.87 40.59 45.19 145.53 37.96 46.23 145.23 36.76 46.27 146.78 38.42 45.47 147.99 38.49 46.42 2 0 34.55-999 ?-999 ?-999 ? O2 PO4 G 105 mSER~B 59 144.84 38.93 46.83 145.26 39.83 46.74 142.74 39.96 47.50 143.20 41.01 47.02 143.59 38.69 47.54 143.87 38.30 48.99 2 0 31.27-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~B 60 141.50 39.88 48.00 141.23 38.98 48.34 141.02 42.04 49.14 140.77 43.24 49.01 140.65 41.07 48.02 139.16 40.69 48.08 3 0 27.74-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~B 61 141.63 41.52 50.22 141.66 40.52 50.23 143.46 43.07 50.83 143.67 44.23 51.17 142.19 42.38 51.28 142.49 41.59 52.56 2 0 26.54-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~B 62 144.30 42.36 50.08 144.09 41.39 50.02 144.92 44.13 48.53 145.49 45.22 48.54 145.42 43.01 49.43 146.22 42.02 48.58 2 0 29.40-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~B 63 143.87 43.86 47.76 143.53 42.92 47.81 142.88 46.11 47.76 143.21 47.25 47.42 143.29 44.90 46.91 142.09 44.40 46.10 2 0 28.17-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~B 64 142.18 45.84 48.87 142.06 44.86 49.03 142.78 47.69 50.36 142.70 48.92 50.45 141.65 46.88 49.75 140.80 46.25 50.84 2 0 24.64-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~B 65 143.83 46.98 50.78 143.73 45.99 50.71 145.63 48.60 50.28 145.94 49.74 50.62 145.02 47.62 51.29 146.05 46.58 51.68 2 0 26.34-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~B 66 145.80 48.13 49.05 145.41 47.22 48.91 145.62 50.03 47.44 146.11 51.12 47.13 146.48 48.89 48.00 146.91 47.94 46.89 2 0 28.64-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~B 67 144.32 49.78 47.36 144.03 48.86 47.61 143.31 51.92 47.97 143.14 53.10 47.63 143.41 50.83 46.92 142.04 50.25 46.54 2 0 26.24-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~B 68 143.48 51.55 49.24 143.58 50.56 49.35 144.76 53.38 50.37 144.71 54.55 50.75 143.51 52.52 50.34-999.99-999.99-999.99 1 0 24.11-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~B 69 145.90 52.78 50.01 145.80 51.80 49.85 147.04 54.50 48.70 147.57 55.60 48.75 147.16 53.52 49.85 148.35 52.58 49.58 2 0 27.36-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~B 70 146.35 54.10 47.64 145.95 53.18 47.72 145.33 56.18 46.83 145.67 57.31 46.50 146.20 54.97 46.48 145.61 54.20 45.30 3 0 28.08-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~B 71 144.21 55.95 47.50 144.04 54.98 47.69 144.07 58.01 48.81 143.82 59.22 48.79 143.33 57.02 47.92 142.11 56.44 48.66 2 0 24.82-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~B 72 145.00 57.45 49.58 145.10 56.47 49.43 147.00 58.94 49.92 147.59 59.80 50.55 145.80 58.19 50.55 146.24 57.17 51.61 2 0 25.60-999 ?-999 ?-999 ? O4 PO4 G 105 mASP~B 73 147.33 58.64 48.67 146.73 57.96 48.24 148.15 60.67 47.51 147.15 60.89 46.83 148.48 59.27 47.99 148.96 58.44 46.81 2 0 29.12-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~B 74 149.05 61.60 47.82 149.89 61.22 48.22 148.76 63.42 46.16 147.89 64.20 45.80 148.85 63.02 47.62 149.97 63.78 48.26 2 0 29.81-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~B 75 149.64 62.87 45.33 150.34 62.31 45.78 148.26 62.57 43.31 147.64 63.23 42.48 149.58 63.08 43.89 150.76 62.39 43.18 2 0 32.37-999 ?-999 ?-999 ? O4 PO4 G 105 mTRP~B 76 147.82 61.39 43.76 148.44 60.93 44.40 145.38 61.77 43.72 144.47 61.99 42.93 146.53 60.85 43.34 146.31 59.43 43.91 3 0 30.06-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~B 77 145.41 62.31 44.93 146.24 62.10 45.46 144.12 64.37 44.54 142.98 64.80 44.29 144.31 63.14 45.41 144.53 63.53 46.87 2 0 27.23-999 ?-999 ?-999 ? O4 PO4 G 105 mALA~B 78 145.24 64.91 44.06 146.08 64.48 44.40 144.85 65.58 41.68 144.35 66.38 40.89 145.23 66.02 43.11 146.59 66.73 43.13 2 0 29.85-999 ?-999 ?-999 ? O4 PO4 G 105 mPHE~B 79 145.09 64.31 41.35 145.42 63.75 42.12 143.46 63.26 39.71 142.90 63.47 38.61 144.88 63.79 39.99 145.89 62.67 39.65 3 0 31.28-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~B 80 142.91 62.53 40.68 143.43 62.54 41.53 140.38 62.66 40.24 139.49 62.25 39.49 141.66 61.80 40.47 141.46 60.72 41.58 3 0 28.52-999 ?-999 ?-999 ? O4 PO4 G 105 mPRO~B 81 140.30 63.86 40.85 141.04 64.11 41.47 139.10 65.15 39.10 138.02 65.37 38.57 139.14 64.68 40.56 139.30 65.89 41.49 3 0 27.24-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~B 82 140.26 65.33 38.48 141.07 65.12 39.03 139.92 64.67 36.15 139.44 64.93 35.04 140.29 65.79 37.10 141.68 66.29 36.72 2 0 30.86-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~B 83 140.19 63.44 36.55 140.66 63.38 37.44 138.34 61.93 35.94 137.63 61.69 34.98 139.83 62.29 35.75 140.69 61.10 36.13 3 0 31.20-999 ?-999 ?-999 ? O4 PO4 G 105 mSER~B 84 137.91 61.90 37.20 138.60 62.19 37.86 135.44 62.30 36.94 134.36 61.79 36.70 136.55 61.47 37.56 136.38 61.53 39.08 2 0 27.89-999 ?-999 ?-999 ? O4 PO4 G 105 mVAL~B 85 135.70 63.58 36.74 136.60 63.88 37.05 134.46 64.07 34.60 133.45 64.47 34.02 134.72 64.45 36.08 135.13 65.94 36.20 3 0 28.72-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU.B 86 135.37 63.31 33.99 136.14 63.04 34.57 134.48 61.61 32.42 134.20 61.20 31.30 135.23 62.93 32.58 136.61 62.78 31.95 3 0 31.89-999 ?-999 ?-999 ? O4 PO4 G 105 mILE^B 87 134.16 60.97 33.55 134.39 61.48 34.38 132.04 59.77 33.74 131.57 60.39 34.70 133.55 59.64 33.58 134.16 58.76 34.72 3 0 30.17-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU^B 88 131.29 59.21 32.79 131.82 58.79 32.05 129.33 58.08 33.75 128.48 58.29 34.59 129.84 59.21 32.84 129.25 59.07 31.42 2 0 29.77-999 ?-999 ?-999 ? O4 PO4 G 105 mSER^B 89 129.86 56.87 33.57 130.54 56.85 32.84 130.69 54.85 34.65 131.67 54.89 33.92 129.48 55.71 34.37 128.48 54.83 33.62 2 0 28.47-999 ?-999 ?-999 ? O4 PO4 G 105 mSER^B 90 130.57 54.01 35.66 129.69 54.08 36.14 131.03 51.84 36.67 129.96 51.88 37.28 131.62 53.09 36.02 132.59 53.79 36.97 2 0 27.79-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^B 91 131.70 50.72 36.51 132.46 50.77 35.86 132.60 48.70 37.31 133.49 48.90 36.50 131.34 49.52 37.24 130.20 48.76 36.54 2 0 27.33-999 ?-999 ?-999 ? O2 PO4 G 105 mASN^B 92 132.67 47.79 38.28 131.92 47.83 38.93 133.27 45.48 38.72 132.10 45.31 39.06 133.78 46.84 38.35 134.83 47.28 39.36 2 0 28.06-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^B 93 134.16 44.51 38.64 135.06 44.78 38.30 135.08 42.37 39.30 136.16 42.71 38.82 133.83 43.16 39.02 133.02 42.47 37.92 2 0 29.10-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^B 94 134.93 41.31 40.09 134.00 41.15 40.40 135.96 39.17 39.66 134.95 38.46 39.73 136.06 40.48 40.44 136.12 40.22 41.97 3 0 30.31-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^B 95 137.03 38.89 38.91 137.75 39.58 38.97 138.17 36.72 38.69 139.27 37.10 39.11 137.15 37.70 38.09 137.59 38.11 36.69 3 0 34.00-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^B 96 137.79 35.44 38.73 136.84 35.30 38.44 139.13 33.60 37.93 138.32 33.00 37.25 138.66 34.37 39.16 137.90 33.42 40.08 3 0 35.93-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO^B 97 140.45 33.63 37.64 141.01 34.23 38.21 140.70 31.32 36.70 140.88 30.80 37.80 140.96 32.81 36.53 142.48 33.08 36.57 3 0 39.62-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR.B 98 140.30 30.64 35.63 140.07 31.20 34.83 141.62 28.57 35.79 142.61 29.24 35.58 140.22 29.17 35.67 139.52 28.59 34.45 2 0 42.17-999 ?-999 ?-999 ? O2 PO4 G 105 mASP.B 99 141.69 27.30 36.15 140.81 26.86 36.33 143.62 26.40 34.88 144.76 25.99 34.82 142.97 26.63 36.26 142.85 25.32 37.09 2 0 44.71-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE.B 100 142.89 26.67 33.80 141.94 26.94 34.01 143.64 27.96 31.80 143.97 28.02 30.61 143.44 26.59 32.45 142.57 25.69 31.54 3 0 47.24-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.B 101 143.48 29.04 32.56 143.16 28.84 33.49 145.28 30.62 31.98 146.01 30.41 32.95 143.76 30.40 32.07 143.14 31.44 33.00 2 0 45.28-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.B 102 145.78 31.04 30.80 145.13 31.11 30.04 147.64 32.41 31.72 148.68 32.26 32.35 147.21 31.36 30.70 147.35 31.89 29.27 3 0 47.32-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.B 103 146.83 33.46 31.87 146.13 33.52 31.16 146.20 33.97 34.21 144.97 33.86 34.17 146.97 34.44 32.96 146.41 35.78 32.48 3 0 44.06-999 ?-999 ?-999 ? O2 PO4 G 105 mARG.B 104 146.91 33.74 35.31 147.78 34.24 35.33 147.42 32.94 37.57 148.60 33.23 37.34 146.44 32.86 36.39 146.39 31.42 35.84 2 0 42.45-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.C 0 89.93 49.79 15.26 89.61 49.92 14.32 91.52 50.60 17.01 92.42 50.89 16.20 90.41 49.61 16.66 90.91 48.18 16.88 3 0 55.02-999 ?-999 ?-999 ? O1 PO4 G 105 mMETC 1 91.45 51.10 18.23 90.75 50.66 18.80 93.70 51.67 19.06 93.89 50.51 19.42 92.29 52.18 18.71 91.61 52.76 19.95 2 0 51.95-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 2 94.68 52.56 18.95 94.44 53.41 18.50 96.38 53.23 20.57 95.86 54.35 20.63 96.00 52.24 19.48 97.13 52.18 18.37 3 0 49.34-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^C 3 97.29 52.78 21.43 97.59 51.84 21.26 99.33 53.75 22.43 100.07 52.77 22.30 97.81 53.58 22.54 97.43 52.94 23.89 3 0 45.67-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^C 4 99.78 55.00 22.50 99.06 55.69 22.44 101.58 55.63 24.09 101.03 56.53 24.67 101.21 55.31 22.64 101.59 56.51 21.78 2 0 43.82-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^C 5 102.50 54.85 24.66 102.75 54.05 24.11 104.45 55.80 25.75 105.32 55.24 25.08 103.11 55.13 25.95 103.31 53.85 26.76 2 0 40.03-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^C 6 104.61 56.99 26.31 103.80 57.31 26.80 106.47 57.83 27.61 105.76 58.12 28.58 105.86 57.74 26.21 105.62 59.15 25.64 2 0 38.53-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 7 107.77 57.58 27.71 108.23 57.52 26.82 109.72 58.24 29.02 110.67 58.01 28.26 108.45 57.41 28.99 108.78 55.94 29.25 3 0 35.00-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^C 8 109.74 59.23 29.90 108.93 59.27 30.49 111.50 60.03 31.38 110.79 59.79 32.37 110.84 60.17 30.00 110.34 61.62 29.84 3 0 33.31-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^C 9 112.83 60.14 31.40 113.25 60.11 30.49 114.04 61.74 32.66 114.65 62.23 31.73 113.62 60.28 32.62 114.86 59.35 32.63 2 0 30.05-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 10 113.68 62.42 33.74 113.21 61.85 34.42 115.22 64.04 34.72 115.52 63.24 35.62 113.93 63.85 33.93 112.69 64.53 34.64 3 0 29.18-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.C 11 115.99 65.07 34.38 115.63 65.63 33.64 116.98 65.53 36.54 115.93 66.04 36.92 117.25 65.35 35.06 117.95 66.56 34.41 2 0 27.84-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.C 12 117.89 65.06 37.38 118.67 64.63 36.92 117.53 66.61 39.33 118.24 67.52 38.92 117.75 65.18 38.85-999.99-999.99-999.99 1 0 24.10-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.C 13 116.53 66.83 40.17 116.03 66.00 40.44 115.33 69.02 39.74 114.98 70.15 40.09 116.19 68.16 40.66-999.99-999.99-999.99 1 0 23.73-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~C 14 114.96 68.50 38.58 115.24 67.54 38.45 112.73 68.90 37.42 112.04 69.45 36.58 114.22 69.29 37.58 114.95 69.21 36.23 2 0 27.36-999 ?-999 ?-999 ? O1 PO4 G 105 mMETC 15 112.25 67.99 38.24 112.87 67.73 38.98 109.82 68.44 38.21 108.95 68.57 37.35 110.91 67.41 38.05 110.68 66.26 39.05 2 0 27.25-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~C 16 109.85 69.16 39.33 110.61 68.95 39.95 108.85 71.23 38.50 107.80 71.77 38.17 108.85 70.18 39.59 109.06 70.83 40.96 2 0 27.85-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~C 17 110.02 71.52 37.96 110.79 71.02 38.36 109.54 71.92 35.61 108.82 72.63 34.90 110.16 72.49 36.90 111.64 72.81 36.70 2 0 30.55-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR~C 18 109.83 70.65 35.33 110.48 70.23 35.96 107.73 69.96 34.26 107.06 70.28 33.27 109.24 69.95 34.19 109.71 68.49 34.14 3 0 32.09-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~C 19 107.19 69.61 35.43 107.87 69.41 36.13 105.06 70.89 35.49 103.99 71.01 34.91 105.73 69.53 35.63 105.40 68.89 36.99 3 0 32.19-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~C 20 105.70 71.93 36.01 106.54 71.70 36.50 105.08 73.67 34.37 104.07 74.19 33.95 105.20 73.29 35.85 106.08 74.30 36.59 2 0 33.76-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~C 21 106.11 73.40 33.59 106.87 72.93 34.04 104.94 73.09 31.45 104.20 73.74 30.72 106.10 73.77 32.17 107.44 73.42 31.49 3 0 36.49-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL~C 22 104.78 71.78 31.67 105.48 71.38 32.26 102.30 71.50 31.60 101.36 71.74 30.83 103.68 71.02 31.08 103.86 69.50 31.36 3 0 37.37-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~C 23 102.18 71.62 32.91 103.02 71.43 33.42 100.44 73.35 33.04 99.27 73.51 32.74 100.93 71.99 33.53 101.07 71.99 35.05 2 0 37.14-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~C 24 101.37 74.31 32.97 102.30 73.97 33.09 101.14 76.15 31.26 100.39 77.05 30.84 101.04 75.71 32.72 101.92 76.60 33.62 2 0 39.21-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~C 25 102.02 75.51 30.47 102.55 74.79 30.94 101.96 74.68 28.08 101.14 74.79 27.15 102.19 75.84 29.05 103.59 76.43 28.79 2 0 41.53-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~C 26 102.69 73.59 28.27 103.17 73.57 29.14 101.46 71.77 26.96 101.07 71.67 25.80 102.76 72.52 27.28-999.99-999.99-999.99 1 0 41.43-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~C 27 100.81 71.22 27.99 101.16 71.48 28.89 98.50 71.02 27.10 97.71 70.36 26.41 99.67 70.33 27.78 99.23 69.64 29.10 3 0 41.78-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~C 28 98.37 72.34 27.29 99.08 72.75 27.87 97.43 73.20 25.15 96.46 73.24 24.42 97.26 73.10 26.67 97.14 74.50 27.30 2 0 44.76-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~C 29 98.69 73.22 24.70 99.37 73.26 25.43 98.91 71.76 22.73 98.35 71.51 21.66 99.02 73.19 23.27 100.48 73.68 23.04 3 0 46.66-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~C 30 99.42 70.82 23.51 99.58 71.13 24.45 98.46 68.61 22.86 98.32 67.93 21.84 99.71 69.48 23.05 100.68 68.81 24.04 2 0 45.47-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~C 31 97.59 68.63 23.86 97.80 69.31 24.57 95.34 67.98 22.86 94.86 67.02 22.26 96.42 67.73 23.92 95.79 67.73 25.34 2 0 45.98-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~C 32 94.93 69.25 22.64 95.31 69.95 23.24 94.48 68.97 20.20 93.72 68.41 19.42 93.97 69.48 21.54 93.82 71.01 21.50 3 0 49.61-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~C 33 95.78 69.14 19.94 96.29 69.56 20.69 96.54 67.18 18.54 96.13 66.60 17.55 96.37 68.72 18.68 97.71 69.44 18.45 3 0 50.60-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~C 34 97.12 66.54 19.55 97.47 67.13 20.27 95.88 64.41 19.73 95.69 63.29 19.28 97.23 65.08 19.56 98.19 64.61 20.66 3 0 48.79-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~C 35 94.96 65.08 20.42 95.32 65.87 20.93 93.04 63.88 21.61 91.86 63.96 21.94 93.55 64.71 20.44-999.99-999.99-999.99 1 0 49.89-999 ?-999 ?-999 ? O1 PO4 G 105 mASN.C 36 93.88 63.06 22.23 94.84 63.15 21.96 94.41 61.67 24.28 94.88 60.52 24.30 93.38 62.10 23.23 92.73 60.88 22.52 2 0 47.42-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^C 37 94.73 62.62 25.17 94.38 63.53 24.95 94.78 61.39 27.30 93.72 61.73 27.79 95.52 62.33 26.38 95.82 63.62 27.15 3 0 43.65-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 38 95.36 60.23 27.58 96.26 60.11 27.16 95.07 59.43 29.88 94.20 59.48 30.77 94.70 59.24 28.41 95.06 57.80 27.94 3 0 42.33-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^C 39 96.38 59.49 30.12 96.96 59.42 29.30 98.30 60.27 31.45 99.03 60.20 30.44 96.92 59.64 31.46-999.99-999.99-999.99 1 0 38.57-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^C 40 98.66 60.88 32.57 97.95 60.85 33.28 100.36 61.24 34.18 99.58 61.49 35.08 99.96 61.52 32.74 99.85 63.03 32.48 3 0 35.84-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE^C 41 101.56 60.68 34.37 102.15 60.71 33.56 103.42 60.35 36.02 104.27 60.40 35.15 101.95 60.08 35.65 101.78 58.55 35.64 3 0 32.22-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^C 42 103.68 60.48 37.32 102.86 60.58 37.88 105.25 59.16 38.63 104.43 58.78 39.46 105.04 60.47 37.87 105.24 61.67 38.83 3 0 28.68-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR^C 43 106.35 58.46 38.35 106.93 58.86 37.64 107.06 57.50 40.50 107.92 58.37 40.76 106.64 57.21 39.05 107.74 56.38 38.34 2 0 26.75-999 ?-999 ?-999 ? O1 PO4 G 105 mASP^C 44 106.44 56.77 41.43 105.75 56.15 41.05 107.58 55.69 43.36 108.40 55.85 44.28 106.73 56.87 42.85 105.42 56.91 43.63 2 0 23.57-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 45 107.34 54.51 42.79 106.57 54.52 42.15 108.46 52.64 41.75 107.56 52.20 41.02 108.13 53.33 43.07 107.40 52.34 44.00 3 0 23.07-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.C 46 109.75 52.56 41.46 110.35 52.87 42.20 111.42 52.91 39.74 112.17 53.44 40.58 110.25 52.06 40.18-999.99-999.99-999.99 1 0 24.76-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.C 47 111.62 53.03 38.42 111.06 52.44 37.82 112.15 55.40 38.38 110.99 55.73 38.21 112.61 53.99 37.97 112.64 53.81 36.43 3 0 25.48-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.C 48 113.03 56.19 38.97 113.97 55.85 38.94 112.97 58.64 38.72 113.75 58.52 37.78 112.61 57.45 39.59 113.18 57.57 41.01 3 0 23.61-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.C 49 112.37 59.78 39.02 111.85 59.74 39.88 112.06 60.59 36.74 112.71 60.96 35.74 112.45 60.97 38.17 113.83 61.64 38.25 2 0 25.14-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN^C 50 110.94 59.86 36.68 110.52 59.72 37.58 108.92 59.77 35.35 108.15 59.66 36.31 110.36 59.32 35.47 110.38 57.80 35.55 2 0 28.28-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^C 51 108.54 60.25 34.17 109.31 60.38 33.54 106.68 59.63 32.74 107.43 59.27 31.84 107.14 60.56 33.83 106.91 62.03 33.39 3 0 31.14-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 52 105.43 59.22 32.81 104.94 59.52 33.64 103.62 59.12 31.29 102.88 59.65 32.11 104.86 58.41 31.77 104.53 57.00 32.29 3 0 33.93-999 ?-999 ?-999 ? O1 PO4 G 105 mHIS^C 53 103.43 59.19 29.98 104.19 58.85 29.42 101.67 58.94 28.23 102.44 58.58 27.34 102.19 59.72 29.42 102.25 61.23 29.13 3 0 37.31-999 ?-999 ?-999 ? O1 PO4 G 105 mMETC 54 100.36 58.69 28.26 99.88 59.16 29.00 98.71 58.57 26.39 97.91 59.39 26.84 99.68 57.82 27.31 98.95 56.73 28.05 2 0 40.38-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP^C 55 98.79 58.27 25.10 99.39 57.50 24.90 97.30 57.99 23.25 97.83 56.92 22.92 98.06 58.99 24.07 99.02 59.77 23.18 3 0 43.99-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^C 56 96.04 58.35 22.95 95.76 59.23 23.34 95.13 58.07 20.73 95.09 59.28 20.51 95.16 57.53 22.14-999.99-999.99-999.99 1 0 47.16-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^C 57 95.18 57.15 19.77 95.33 56.22 20.11 94.16 56.41 17.67 94.14 55.26 18.09 95.02 57.47 18.36 96.38 57.56 17.66 3 0 50.45-999 ?-999 ?-999 ? O1 PO4 G 105 mALA.C 58 93.45 56.82 16.62 93.51 57.80 16.46 93.55 54.97 14.95 93.18 53.81 14.70 92.67 55.91 15.78 91.76 56.71 14.85 2 0 53.92-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~C 59 94.70 55.49 14.52 94.84 56.44 14.80 97.04 55.43 13.80 97.15 56.57 14.26 95.68 54.76 13.70 95.26 54.74 12.23 2 0 54.30-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~C 60 98.07 54.73 13.34 97.83 53.83 12.99 99.66 56.40 12.35 100.43 57.33 12.61 99.43 55.28 13.37 100.47 54.16 13.21 3 0 52.95-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~C 61 98.97 56.34 11.20 98.45 55.50 11.09 98.36 58.71 10.78 98.83 59.82 10.53 99.02 57.44 10.22 98.36 57.04 8.88 2 0 55.92-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~C 62 97.25 58.54 11.50 96.90 57.61 11.48 97.61 60.21 13.27 97.82 61.41 13.33 96.62 59.63 12.24 95.35 59.09 12.91 2 0 55.10-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~C 63 98.27 59.34 14.03 97.97 58.39 13.92 100.39 60.60 14.25 100.81 61.63 14.78 99.33 59.75 14.96 99.99 58.54 15.61 2 0 51.48-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~C 64 100.83 60.16 13.07 100.38 59.34 12.72 101.37 62.22 11.91 102.08 63.22 11.97 101.90 60.88 12.38 102.45 60.06 11.20 2 0 52.90-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~C 65 100.12 62.24 11.47 99.64 61.37 11.51 99.44 64.50 12.13 99.78 65.68 11.96 99.54 63.48 10.99 98.16 63.23 10.34 2 0 55.26-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~C 66 98.99 64.03 13.30 98.82 63.04 13.30 100.11 65.31 15.08 100.33 66.48 15.38 98.78 64.91 14.46 97.87 64.22 15.49 2 0 52.57-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~C 67 101.01 64.35 15.27 100.72 63.42 15.03 103.07 65.66 14.86 103.82 66.52 15.35 102.33 64.69 15.78 103.17 63.45 16.07 2 0 49.94-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~C 68 102.84 65.56 13.55 102.23 64.81 13.30 102.90 67.89 12.74 103.64 68.87 12.63 103.44 66.47 12.58-999.99-999.99-999.99 1 0 52.77-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~C 69 101.60 67.98 13.02 101.12 67.11 13.03 101.49 69.90 14.54 101.74 71.10 14.58 100.95 69.26 13.27 99.44 69.09 13.34 2 0 53.52-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~C 70 101.69 69.10 15.59 101.42 68.14 15.44 103.61 70.25 16.55 103.88 71.36 16.99 102.26 69.61 16.83 102.43 68.49 17.85 3 0 49.89-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~C 71 104.45 69.53 15.81 104.06 68.66 15.50 105.86 71.27 14.70 106.81 72.04 14.82 105.82 69.96 15.48 106.53 68.86 14.69 2 0 50.01-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~C 72 104.82 71.51 13.90 104.12 70.80 13.91 104.13 73.93 13.81 104.15 75.04 13.29 104.75 72.72 13.08 103.92 72.46 11.84 2 0 53.23-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~C 73 103.56 73.70 14.98 103.69 72.77 15.33 103.78 75.75 16.34 104.61 75.34 17.16 102.82 74.74 15.68 101.91 74.08 16.71 2 0 52.12-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~C 74 103.66 77.04 15.98 102.93 77.18 15.31 104.68 78.09 18.03 105.78 78.31 18.55 104.51 78.14 16.51 103.93 79.52 16.12 2 0 52.03-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~C 75 103.60 77.82 18.75 102.78 77.60 18.21 104.44 76.68 20.76 105.20 76.85 21.70 103.64 77.84 20.21 102.24 77.83 20.81 2 0 49.02-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP~C 76 104.26 75.50 20.17 103.57 75.48 19.46 106.51 74.63 20.31 107.36 74.38 21.17 105.05 74.35 20.57 104.60 73.11 19.81 3 0 46.93-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~C 77 106.81 75.17 19.14 106.02 75.41 18.57 108.91 76.36 19.68 110.08 76.18 19.96 108.18 75.39 18.74 108.25 75.88 17.29 2 0 47.98-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~C 78 108.21 77.37 20.19 107.28 77.44 19.83 108.88 77.65 22.58 109.62 78.12 23.45 108.80 78.29 21.19 108.01 79.55 21.25 2 0 46.80-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE~C 79 108.11 76.58 22.78 107.61 76.27 21.97 108.98 74.75 24.26 109.75 74.75 25.22 108.01 75.92 24.07 106.58 75.40 24.30 3 0 43.53-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~C 80 108.93 73.77 23.36 108.37 74.01 22.56 111.14 72.58 23.83 111.66 71.76 24.58 109.62 72.49 23.51 109.35 71.53 22.27 3 0 42.29-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~C 81 111.85 73.59 23.29 111.37 74.22 22.68 113.51 73.82 25.17 114.51 73.33 25.68 113.27 73.65 23.67 113.78 74.88 22.91 3 0 41.72-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~C 82 112.61 74.50 25.87 111.86 74.87 25.32 112.37 73.40 28.07 112.92 73.15 29.14 112.71 74.67 27.32 111.86 75.84 27.81 2 0 38.94-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~C 83 111.49 72.57 27.52 111.07 72.91 26.68 112.31 70.27 27.85 112.74 69.56 28.75 111.20 71.28 28.14 109.85 70.74 27.66 3 0 37.29-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~C 84 112.79 70.22 26.60 112.41 70.94 26.02 115.12 69.22 26.85 115.77 68.20 27.01 113.76 69.20 26.13 113.99 69.37 24.63 2 0 37.91-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL~C 85 115.53 70.40 27.30 114.93 71.16 27.04 116.66 69.80 29.44 117.69 69.47 30.03 116.74 70.54 28.08 117.08 72.06 28.25 3 0 35.95-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU.C 86 115.43 69.53 29.92 114.69 69.83 29.33 115.11 67.35 31.10 115.12 66.64 32.12 115.22 68.87 31.21 113.94 69.39 31.86 3 0 32.80-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 87 115.01 66.86 29.87 115.06 67.54 29.14 116.22 64.81 29.51 117.02 65.19 28.65 114.83 65.44 29.63 113.96 65.21 28.39 3 0 33.44-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^C 88 116.52 63.88 30.40 115.82 63.72 31.09 117.71 62.02 29.32 118.65 61.77 28.56 117.79 63.17 30.34 118.22 62.69 31.74 2 0 31.92-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^C 89 116.56 61.35 29.27 115.85 61.68 29.89 114.92 60.03 28.00 114.06 60.45 28.76 116.38 60.23 28.36 116.91 58.95 29.03 2 0 33.72-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^C 90 114.62 59.40 26.85 115.42 59.17 26.30 113.07 57.85 25.61 114.01 57.35 25.00 113.24 59.10 26.47 112.60 60.28 25.74 2 0 36.07-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^C 91 111.85 57.33 25.59 111.20 57.80 26.19 109.99 56.10 24.64 109.24 56.73 25.39 111.51 56.18 24.78 112.04 54.90 25.42 2 0 38.15-999 ?-999 ?-999 ? O1 PO4 G 105 mASN^C 92 109.53 55.32 23.67 110.22 54.94 23.07 107.87 53.70 22.94 108.79 53.01 22.50 108.12 55.08 23.53 107.41 56.19 22.72 2 0 40.37-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^C 93 106.60 53.32 22.99 105.99 53.95 23.46 104.68 52.21 22.07 104.01 53.11 22.56 106.15 52.08 22.41 106.41 50.94 23.38 2 0 42.40-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^C 94 104.21 51.32 21.19 104.88 50.64 20.89 102.19 50.10 21.26 102.62 48.98 20.94 102.84 51.35 20.72 102.75 51.38 19.16 3 0 45.29-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^C 95 101.15 50.32 22.07 100.95 51.29 22.18 99.05 48.97 22.04 98.29 49.86 21.68 100.36 49.27 22.74 100.02 49.71 24.16 3 0 44.91-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^C 96 98.75 47.70 21.86 99.45 47.05 22.17 96.56 46.73 22.32 96.82 45.64 22.85 97.49 47.33 21.26 97.72 46.35 20.11 3 0 47.94-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO^C 97 95.47 47.44 22.65 95.34 48.31 22.17 94.07 45.51 23.31 93.86 45.23 22.13 94.58 46.90 23.67 93.40 47.88 23.68 3 0 47.57-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR.C 98 93.90 44.66 24.32 94.23 45.00 25.20 91.75 43.52 24.06 91.20 44.56 24.39 93.26 43.36 24.13 93.61 42.36 25.25 2 0 48.91-999 ?-999 ?-999 ? O1 PO4 G 105 mASP.C 99 91.06 42.46 23.65 91.62 41.67 23.41 88.92 42.42 24.95 87.70 42.41 25.03 89.61 42.49 23.58 89.07 41.42 22.60 2 0 51.72-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE.C 100 89.71 42.35 26.02 90.68 42.25 25.81 89.72 43.61 28.15 89.63 43.65 29.38 89.17 42.42 27.38 89.41 41.11 28.14 3 0 49.28-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.C 101 90.25 44.60 27.44 90.18 44.47 26.45 89.82 46.87 28.21 89.25 47.28 27.23 90.86 45.78 28.06 92.03 46.29 27.19 2 0 46.73-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.C 102 89.58 47.36 29.43 90.10 46.94 30.18 88.88 49.67 28.69 87.95 50.35 28.30 88.63 48.45 29.59 88.76 48.82 31.07 3 0 46.50-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.C 103 90.13 49.91 28.38 90.79 49.31 28.83 90.76 50.29 26.12 91.75 49.59 25.96 90.50 50.96 27.46 91.77 51.60 27.99 3 0 46.31-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.C 104 89.84 50.44 25.17 89.06 51.00 25.44 89.07 50.47 22.82 88.12 51.16 23.18 90.00 49.83 23.85 89.79 48.31 23.91 2 0 49.53-999 ?-999 ?-999 ? O1 PO4 G 105 mMETD 1 94.09 58.51 44.14 94.04 59.38 44.62 95.55 56.89 42.86 96.29 57.75 42.40 94.15 57.20 43.42 93.12 57.13 42.29 2 0 32.34-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 2 95.86 55.60 42.89 95.10 55.04 43.21 96.96 54.20 41.25 95.93 53.57 41.07 97.13 55.02 42.51 97.57 54.06 43.67 3 0 30.64-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^D 3 97.97 54.20 40.40 98.69 54.87 40.59 99.22 52.35 39.35 100.34 52.81 39.41 98.01 53.27 39.28 98.02 54.00 37.94 3 0 32.36-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^D 4 98.98 51.04 39.34 98.02 50.80 39.43 100.14 49.62 37.75 99.13 49.28 37.14 100.06 50.06 39.22 99.84 48.86 40.13 2 0 31.67-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^D 5 101.35 49.69 37.19 102.04 50.14 37.77 102.50 47.92 36.03 103.56 47.98 36.64 101.65 49.16 35.86 102.38 50.20 35.02 2 0 33.42-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^D 6 101.99 46.80 35.53 101.07 46.91 35.16 103.07 45.19 34.05 102.27 45.35 33.13 102.70 45.52 35.50 101.84 44.42 36.10 2 0 34.29-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 7 104.32 44.79 33.86 104.80 44.57 34.71 105.59 43.31 32.47 106.50 43.03 33.23 104.93 44.67 32.54 105.99 45.77 32.33 3 0 35.87-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^D 8 105.08 42.45 31.60 104.37 42.84 31.01 106.16 40.86 30.17 105.70 41.44 29.19 105.52 41.06 31.52 104.34 40.09 31.63 3 0 37.94-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^D 9 107.23 40.07 30.13 107.64 39.89 31.02 107.32 38.06 28.87 107.48 37.32 29.85 107.76 39.52 28.89 109.29 39.63 28.84 2 0 39.97-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 10 106.72 37.65 27.75 106.71 38.34 27.02 107.11 35.47 26.80 107.72 35.96 25.86 106.14 36.32 27.60 104.75 36.40 26.88 3 0 43.11-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.D 11 107.27 34.22 27.20 106.77 33.99 28.03 107.72 33.27 24.99 106.55 33.40 24.66 108.11 33.28 26.45 107.99 31.85 27.01 2 0 45.02-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.D 12 108.72 33.14 24.12 109.62 33.00 24.54 107.53 32.09 22.27 107.69 30.96 22.71 108.49 33.18 22.68-999.99-999.99-999.99 1 0 47.98-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.D 13 106.54 32.45 21.45 106.56 33.42 21.20 104.31 31.33 21.87 103.33 30.73 21.45 105.52 31.52 20.97-999.99-999.99-999.99 1 0 51.05-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~D 14 104.36 31.86 23.10 105.16 32.43 23.27 102.26 32.74 24.30 101.39 32.61 25.16 103.30 31.60 24.09 103.94 31.22 25.42 2 0 49.30-999 ?-999 ?-999 ? O1 PO4 G 105 mMETD 15 102.32 33.79 23.48 103.00 33.70 22.75 100.00 34.63 23.56 99.22 34.96 24.45 101.46 34.95 23.65 101.80 36.06 22.62 2 0 48.62-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~D 16 99.60 33.99 22.46 100.33 33.82 21.80 97.68 32.72 23.43 96.56 32.91 23.90 98.20 33.60 22.29 97.99 32.94 20.92 2 0 51.69-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~D 17 98.52 31.80 23.91 99.39 31.74 23.43 97.97 31.80 26.33 96.98 31.63 27.06 98.16 30.95 25.05 99.23 29.88 25.27 2 0 50.99-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR~D 18 98.90 32.73 26.57 99.68 32.71 25.94 97.42 34.46 27.60 96.71 34.58 28.59 98.77 33.69 27.68 99.99 34.64 27.77 3 0 47.39-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~D 19 97.07 34.96 26.42 97.68 34.72 25.67 94.58 34.97 26.41 93.57 35.45 26.96 95.86 35.79 26.29 95.87 36.53 24.96 3 0 48.79-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~D 20 94.63 33.75 25.89 95.49 33.53 25.44 93.23 32.50 27.44 92.09 32.63 27.89 93.51 32.82 25.96 93.83 31.56 25.13 2 0 51.65-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~D 21 94.26 32.10 28.18 95.12 32.02 27.67 93.44 32.96 30.39 92.50 32.73 31.16 94.13 31.81 29.63 95.49 31.48 30.27 3 0 49.38-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL~D 22 93.92 34.19 30.15 94.62 34.22 29.44 92.05 35.74 30.39 91.17 36.03 31.20 93.43 35.36 30.86 94.39 36.59 30.67 3 0 47.15-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~D 23 91.87 35.73 29.07 92.68 35.50 28.54 89.41 35.15 28.95 88.33 35.63 29.27 90.56 36.04 28.47 90.64 35.99 26.94 2 0 50.11-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~D 24 89.65 33.84 28.98 90.61 33.60 28.82 88.42 32.48 30.71 87.39 31.95 31.11 88.58 32.87 29.24 88.86 31.61 28.43 2 0 52.30-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~D 25 89.43 32.80 31.52 90.12 33.40 31.12 90.04 33.28 33.88 89.44 33.49 34.94 89.48 32.28 32.87 90.35 31.02 32.86 2 0 49.85-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~D 26 91.17 33.87 33.56 91.48 33.72 32.62 91.22 35.94 34.94 91.02 36.18 36.13 91.90 34.66 34.52-999.99-999.99-999.99 1 0 46.15-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~D 27 90.90 36.78 33.97 90.96 36.38 33.05 89.11 38.19 34.93 88.82 39.12 35.68 90.48 38.15 34.23 90.50 38.97 32.91 3 0 45.57-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~D 28 88.28 37.18 34.69 88.61 36.53 34.01 87.16 36.76 36.89 86.29 37.11 37.68 86.99 37.04 35.39 86.16 35.92 34.75 2 0 47.80-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~D 29 88.25 36.11 37.27 88.81 35.76 36.52 89.19 37.22 39.21 88.79 37.74 40.27 88.57 35.94 38.67 89.57 34.79 38.88 3 0 45.45-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~D 30 90.17 37.73 38.47 90.21 37.33 37.55 90.46 40.14 39.10 90.62 40.78 40.12 91.09 38.76 38.95 92.28 38.84 38.00 2 0 42.18-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~D 31 89.76 40.61 38.08 89.58 39.94 37.35 88.34 42.35 39.21 88.52 43.38 39.86 89.30 42.00 38.06 88.67 42.34 36.72 2 0 42.60-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~D 32 87.32 41.51 39.46 87.22 40.73 38.83 87.19 41.96 41.93 86.87 42.87 42.69 86.44 41.79 40.60 85.51 40.56 40.67 3 0 43.54-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~D 33 88.18 41.10 42.19 88.36 40.46 41.44 89.91 42.26 43.52 90.08 42.87 44.58 88.92 41.10 43.45 89.68 39.77 43.66 3 0 40.53-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~D 34 90.57 42.56 42.40 90.37 41.98 41.62 90.80 45.02 42.24 91.27 46.02 42.77 91.52 43.68 42.38 92.55 43.51 41.27 3 0 37.98-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~D 35 89.69 45.04 41.50 89.61 44.27 40.87 88.63 47.18 40.54 87.57 47.76 40.32 88.70 46.11 41.61-999.99-999.99-999.99 1 0 39.76-999 ?-999 ?-999 ? O1 PO4 G 105 mASN.D 36 89.76 47.48 39.90 90.54 46.90 40.13 90.88 48.37 37.87 91.89 49.06 37.85 89.81 48.58 38.93 90.00 49.90 39.66 2 0 39.66-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^D 37 90.64 47.40 36.98 89.88 46.80 37.22 91.29 48.50 34.90 90.18 48.92 34.60 91.44 47.24 35.76 90.98 46.00 34.99 3 0 40.70-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 38 92.41 49.13 34.56 93.24 48.71 34.92 92.63 49.96 32.26 91.91 50.43 31.36 92.40 50.34 33.73 93.53 51.30 34.13 3 0 40.64-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^D 39 93.65 49.14 32.02 94.14 48.84 32.84 94.75 47.41 30.65 95.30 46.97 31.66 94.00 48.72 30.68-999.99-999.99-999.99 1 0 42.09-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^D 40 94.74 46.79 29.47 94.22 47.27 28.76 95.92 45.51 27.79 95.12 45.54 26.86 95.43 45.53 29.24 94.48 44.35 29.51 3 0 43.12-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE^D 41 97.23 45.46 27.58 97.78 45.26 28.39 98.86 44.70 25.85 99.53 44.14 26.72 97.77 45.70 26.24 98.39 47.10 26.14 3 0 44.11-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^D 42 99.02 44.52 24.53 98.29 44.92 23.97 100.94 44.82 23.12 100.35 45.56 22.35 100.16 43.82 23.96 99.75 42.65 23.02 3 0 45.38-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR^D 43 102.25 44.83 23.28 102.60 44.13 23.91 103.27 45.39 21.14 103.53 44.22 20.85 103.10 45.80 22.60 104.46 45.91 23.29 2 0 44.70-999 ?-999 ?-999 ? O1 PO4 G 105 mASP^D 44 103.06 46.34 20.23 102.81 47.23 20.61 104.55 46.60 18.26 105.16 46.04 17.34 103.20 46.06 18.81 101.99 46.63 18.06 2 0 47.95-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 45 105.00 47.70 18.85 104.38 48.06 19.55 106.93 48.74 19.80 106.49 49.66 20.47 106.25 48.33 18.51 106.07 49.56 17.64 3 0 46.65-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.D 46 108.03 48.06 20.10 108.22 47.32 19.46 109.46 47.02 21.74 109.81 46.15 20.92 108.87 48.35 21.27-999.99-999.99-999.99 1 0 43.31-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.D 47 109.58 46.84 23.06 109.39 47.62 23.66 108.86 44.55 23.09 107.70 44.82 23.35 109.97 45.50 23.48 110.15 45.64 25.01 3 0 41.73-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.D 48 109.21 43.45 22.43 110.20 43.32 22.32 107.95 41.31 22.80 108.67 41.05 23.77 108.21 42.54 21.91 108.58 42.13 20.49 3 0 44.60-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.D 49 106.90 40.56 22.46 106.53 40.78 21.55 106.17 40.13 24.71 106.68 39.60 25.69 106.34 39.53 23.32 107.22 38.29 23.33 2 0 45.09-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN^D 50 105.46 41.26 24.76 105.03 41.52 23.89 103.87 42.38 26.23 103.16 42.82 25.32 105.34 42.05 25.97 106.14 43.35 25.86 2 0 42.17-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^D 51 103.45 42.18 27.48 104.18 41.85 28.08 102.18 43.48 28.99 103.10 43.42 29.84 102.08 42.42 27.92 101.44 41.14 28.59 3 0 41.74-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 52 101.24 44.42 28.98 100.57 44.33 28.24 99.80 45.61 30.53 98.85 45.73 29.76 101.20 45.47 29.99 101.63 46.79 29.40 3 0 39.41-999 ?-999 ?-999 ? O1 PO4 G 105 mHIS^D 53 99.65 45.57 31.86 100.47 45.37 32.38 98.42 46.81 33.59 99.33 46.75 34.40 98.35 45.82 32.45 97.58 44.54 32.83 3 0 38.91-999 ?-999 ?-999 ? O1 PO4 G 105 mMETD 54 97.44 47.72 33.60 96.78 47.60 32.86 96.15 48.60 35.53 95.04 48.26 35.10 97.34 48.79 34.58 97.19 50.11 33.85 2 0 37.09-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP^D 55 96.38 48.83 36.82 97.30 49.18 37.00 95.28 49.81 38.80 96.29 50.31 39.31 95.39 48.61 37.88 95.79 47.40 38.72 3 0 36.14-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^D 56 94.05 50.23 39.06 93.33 49.67 38.65 93.52 51.00 41.28 92.84 49.99 41.50 93.79 51.42 39.86-999.99-999.99-999.99 1 0 35.40-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^D 57 94.06 51.75 42.23 94.66 52.48 41.89 93.62 52.85 44.41 94.19 53.88 44.04 93.81 51.52 43.65 94.96 50.74 44.28 3 0 33.16-999 ?-999 ?-999 ? O1 PO4 G 105 mALA.D 58 92.83 52.79 45.48 92.39 51.90 45.60 93.87 54.21 47.23 94.11 55.36 47.59 92.63 53.90 46.39 91.44 53.60 47.31 2 0 32.35-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~D 59 94.64 53.18 47.56 94.25 52.30 47.28 96.70 52.02 48.14 96.16 51.01 47.66 95.92 53.32 48.27 95.69 53.62 49.75 2 0 28.70-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~D 60 97.96 52.04 48.57 98.26 52.91 48.95 98.48 49.79 49.53 98.66 48.59 49.30 98.82 50.84 48.47 100.30 51.22 48.53 3 0 26.69-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~D 61 97.97 50.23 50.69 97.95 51.22 50.80 96.26 48.53 51.16 96.11 47.32 51.36 97.49 49.27 51.68 97.19 49.95 53.02 2 0 26.90-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~D 62 95.40 49.26 50.44 95.61 50.23 50.39 94.71 47.57 48.79 94.23 46.44 48.81 94.25 48.62 49.80 93.33 49.64 49.13 2 0 30.63-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~D 63 95.66 47.96 47.92 95.90 48.92 47.99 96.82 45.76 47.62 96.56 44.65 47.13 96.28 47.04 46.97 97.44 47.73 46.23 2 0 30.71-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~D 64 97.59 45.93 48.70 97.71 46.88 48.97 97.16 43.81 49.94 97.36 42.60 49.88 98.21 44.79 49.41 99.09 45.28 50.57 2 0 29.01-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~D 65 96.07 44.37 50.49 96.09 45.36 50.52 94.26 42.87 49.82 93.98 41.68 49.91 94.93 43.59 50.97 93.93 44.51 51.69 2 0 31.59-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~D 66 94.01 43.59 48.74 94.38 44.52 48.77 94.06 41.96 46.87 93.52 40.89 46.58 93.26 43.03 47.60 92.75 44.14 46.67 2 0 34.46-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~D 67 95.34 42.23 46.60 95.61 43.16 46.83 96.44 40.04 47.01 96.70 38.89 46.58 96.24 41.21 46.03 97.61 41.81 45.67 2 0 33.73-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~D 68 96.30 40.32 48.30 96.22 41.30 48.50 95.07 38.34 49.16 95.24 37.12 49.06 96.28 39.27 49.32-999.99-999.99-999.99 1 0 33.37-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~D 69 93.87 38.92 49.15 93.89 39.90 49.37 92.82 37.33 47.55 92.46 36.15 47.55 92.64 38.17 48.82 91.43 39.10 48.66 2 0 36.88-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~D 70 93.38 37.92 46.49 93.68 38.86 46.67 94.37 35.95 45.29 93.99 34.91 44.73 93.54 37.24 45.19 94.18 38.17 44.14 3 0 38.15-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~D 71 95.50 36.05 45.98 95.67 36.96 46.35 95.83 33.81 47.04 96.30 32.68 46.98 96.42 34.92 46.18 97.73 35.42 46.80 2 0 37.12-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~D 72 94.82 34.14 47.86 94.61 35.11 47.87 92.87 32.59 47.98 92.24 31.67 48.49 94.11 33.14 48.67 93.68 33.73 50.02 2 0 38.87-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~D 73 92.51 33.15 46.83 93.09 33.91 46.52 91.61 31.30 45.48 92.59 31.11 44.76 91.35 32.68 46.10 90.95 33.67 45.03 2 0 41.99-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~D 74 90.72 30.35 45.78 89.98 30.69 46.36 90.89 28.83 43.78 91.77 28.16 43.25 90.81 28.96 45.31 89.60 28.19 45.84 2 0 44.98-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~D 75 89.96 29.48 43.09 89.26 29.92 43.65 91.31 30.11 41.08 91.80 29.63 40.06 90.00 29.55 41.63 88.85 30.40 41.11 2 0 46.62-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP~D 76 91.87 31.11 41.74 91.39 31.38 42.58 94.30 30.84 41.50 95.17 30.72 40.65 93.10 31.76 41.25 93.29 33.16 41.89 3 0 43.42-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~D 77 94.33 30.18 42.65 93.62 30.47 43.29 95.28 27.95 41.94 96.28 27.25 41.73 95.33 29.14 42.92 95.16 28.62 44.35 2 0 42.97-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~D 78 94.11 27.73 41.33 93.36 28.32 41.64 94.43 27.21 38.95 94.71 26.41 38.06 93.97 26.71 40.31 92.55 26.27 40.22 2 0 46.58-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE~D 79 94.52 28.52 38.78 94.37 29.04 39.62 96.25 29.62 37.35 96.90 29.40 36.33 94.81 29.13 37.48 93.83 30.29 37.26 3 0 45.92-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~D 80 96.75 30.28 38.39 96.21 30.22 39.23 99.24 30.20 37.87 100.10 30.70 37.13 98.00 31.04 38.27 98.24 31.97 39.51 3 0 42.52-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~D 81 99.34 28.94 38.31 98.62 28.59 38.91 100.62 28.05 36.29 101.72 28.13 35.73 100.53 28.19 37.82 100.40 26.83 38.52 3 0 43.39-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~D 82 99.49 27.87 35.63 98.68 27.81 36.22 99.82 29.09 33.51 100.49 29.10 32.46 99.44 27.78 34.17 98.06 27.33 33.69 2 0 46.28-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~D 83 99.42 30.21 34.11 98.87 30.10 34.94 101.29 31.77 33.85 102.04 32.16 32.97 99.80 31.48 33.56 98.90 32.59 34.10 3 0 44.14-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~D 84 101.69 31.57 35.10 100.99 31.15 35.67 104.18 31.24 34.81 105.23 31.86 34.59 103.03 31.92 35.56 103.15 31.58 37.06 2 0 41.13-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL~D 85 103.98 29.99 34.41 103.10 29.60 34.68 105.34 29.96 32.31 106.43 29.78 31.76 105.02 29.28 33.66 104.68 27.77 33.46 3 0 43.29-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.D 86 104.42 30.78 31.81 103.63 30.91 32.41 105.31 32.76 30.57 105.72 33.30 29.53 104.56 31.42 30.51 103.18 31.63 29.89 3 0 44.22-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 87 105.50 33.27 31.79 105.21 32.68 32.54 107.61 34.45 32.16 108.06 33.81 33.11 106.10 34.60 31.98 105.44 35.33 33.18 3 0 40.72-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^D 88 108.37 35.02 31.23 107.86 35.53 30.54 110.46 35.96 32.17 111.46 35.70 32.81 109.83 34.91 31.23 110.41 35.04 29.81 2 0 39.91-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^D 89 109.89 37.15 32.23 109.17 37.31 31.55 109.18 39.03 33.50 108.21 39.07 32.73 110.32 38.11 33.22 111.58 38.89 32.78 2 0 36.42-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^D 90 109.26 39.73 34.63 110.07 39.55 35.18 108.75 41.80 35.88 109.81 41.70 36.49 108.22 40.67 35.01 107.05 39.95 35.71 2 0 34.34-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^D 91 107.97 42.87 35.92 107.15 42.79 35.35 107.03 44.86 36.84 106.09 44.70 36.04 108.29 44.04 36.71 109.39 44.89 36.06 2 0 31.35-999 ?-999 ?-999 ? O1 PO4 G 105 mASN^D 92 107.04 45.74 37.84 107.85 45.72 38.42 106.44 47.96 38.64 107.62 48.10 39.00 105.94 46.65 38.07 104.83 46.01 38.95 2 0 30.23-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^D 93 105.54 48.93 38.71 104.64 48.69 38.34 104.56 50.92 39.69 103.47 50.53 39.26 105.85 50.23 39.27 106.63 51.08 38.27 2 0 28.13-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^D 94 104.72 51.93 40.54 105.66 52.10 40.83 103.64 54.13 40.44 104.65 54.84 40.53 103.60 52.72 41.02 103.56 52.82 42.56 3 0 27.47-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^D 95 102.51 54.53 39.86 101.74 53.91 40.01 101.39 56.63 39.76 100.30 56.17 40.10 102.39 55.75 39.09 101.94 55.45 37.66 3 0 29.27-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^D 96 101.77 57.90 39.96 102.69 58.10 39.64 100.45 59.87 39.51 101.26 60.61 38.98 100.89 58.89 40.60 101.60 59.63 41.75 3 0 29.03-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO^D 97 99.15 59.86 39.18 98.57 59.20 39.66 98.93 62.24 38.55 98.79 62.60 39.71 98.68 60.78 38.16 97.18 60.50 38.10 3 0 32.42-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR.D 98 99.29 63.07 37.58 99.44 62.63 36.69 98.07 65.15 37.99 97.04 64.55 37.67 99.43 64.50 37.83 100.16 65.21 36.69 2 0 32.66-999 ?-999 ?-999 ? O1 PO4 G 105 mASP.D 99 98.07 66.39 38.46 98.97 66.76 38.69 96.21 67.54 37.28 95.10 68.07 37.24 96.83 67.12 38.63 97.01 68.33 39.59 2 0 34.45-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE.D 100 96.91 67.30 36.18 97.82 66.93 36.34 96.14 66.31 34.03 95.93 66.41 32.82 96.33 67.58 34.85 97.18 68.60 34.08 3 0 37.53-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.D 101 96.19 65.15 34.68 96.39 65.26 35.65 94.48 63.54 34.03 93.86 63.48 35.09 95.96 63.84 34.04 96.66 62.72 34.80 2 0 37.62-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.D 102 93.90 63.35 32.83 94.49 63.48 32.03 92.16 61.81 33.63 91.16 61.85 34.35 92.50 62.98 32.73 92.34 62.61 31.25 3 0 40.79-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.D 103 92.96 60.76 33.56 93.66 60.83 32.85 93.50 59.99 35.80 94.73 60.15 35.84 92.81 59.63 34.48 93.43 58.37 33.87 3 0 39.08-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.D 104 92.72 60.10 36.87 91.81 59.68 36.76 92.55 60.17 39.33 91.33 60.04 39.41 93.17 60.78 38.09 92.80 62.27 37.99 2 0 36.44-999 ?-999 ?-999 ? O1 PO4 G 105 mMETE 1 130.66 41.12 2.07 130.88 40.22 1.69 129.83 42.35 4.08 129.05 41.45 4.40 130.34 42.46 2.64 129.30 43.20 1.80 2 0 61.70-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^E 2 130.27 43.29 4.91 130.94 43.90 4.48 129.20 44.80 6.47 129.52 45.75 5.73 129.83 43.42 6.30 131.02 43.26 7.31 3 0 57.89-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^E 3 128.28 44.89 7.43 128.10 44.03 7.91 127.83 46.49 9.22 127.46 45.74 10.15 127.61 46.14 7.77 126.10 46.06 7.52 3 0 55.65-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^E 4 128.43 47.66 9.43 128.77 48.10 8.60 127.34 49.05 11.11 127.04 49.99 10.40 128.55 48.21 10.78 129.80 49.07 10.90 2 0 52.41-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^E 5 126.65 48.69 12.19 126.94 47.82 12.59 126.04 50.37 13.92 126.43 49.85 14.96 125.56 49.52 12.73 124.36 48.66 13.16 2 0 49.99-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^E 6 126.01 51.68 13.73 125.75 51.94 12.80 125.04 53.28 15.30 124.20 53.73 14.52 126.33 52.65 14.79 127.28 53.72 14.25 2 0 47.59-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^E 7 124.90 53.30 16.63 125.72 53.04 17.13 123.98 54.71 18.34 124.66 54.42 19.33 123.66 53.68 17.28 123.02 52.46 17.93 3 0 44.77-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^E 8 123.52 55.94 18.13 122.97 56.05 17.30 122.54 57.45 19.77 121.47 57.44 19.17 123.82 57.02 19.06 124.45 58.24 18.35 3 0 42.79-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^E 9 122.68 57.80 21.05 123.53 57.49 21.47 122.13 60.03 21.83 123.25 60.32 22.27 121.67 58.57 21.77 121.46 57.99 23.18 2 0 39.97-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^E 10 121.28 60.95 21.39 120.40 60.58 21.10 121.00 63.06 22.57 119.93 62.67 23.04 121.62 62.36 21.36 121.11 63.00 20.05 3 0 40.53-999 ?-999 ?-999 ? O4 PO4 G 105 mARG.E 11 121.69 64.09 23.07 122.55 64.27 22.60 119.84 65.47 23.95 119.59 65.97 22.85 121.20 64.89 24.22 122.16 66.05 24.54 2 0 37.96-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY.E 12 118.97 65.42 24.95 119.30 64.95 25.77 117.67 67.42 24.24 118.34 68.29 24.75 117.65 66.01 24.83-999.99-999.99-999.99 1 0 37.85-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.E 13 116.94 67.61 23.15 116.55 66.77 22.77 117.74 69.25 21.47 117.56 70.25 20.76 116.75 68.92 22.56-999.99-999.99-999.99 1 0 40.76-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~E 14 118.77 68.42 21.31 118.72 67.59 21.87 119.79 67.93 19.08 120.73 67.95 18.30 119.86 68.72 20.39 121.21 68.47 21.06 2 0 42.49-999 ?-999 ?-999 ? O4 PO4 G 105 mMETE 15 118.67 67.27 18.82 117.95 67.41 19.50 118.62 67.20 16.32 119.25 66.76 15.37 118.52 66.43 17.63 117.18 65.67 17.67 2 0 44.88-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~E 16 117.96 68.36 16.24 117.51 68.65 17.09 119.32 69.64 14.73 119.77 69.67 13.59 117.94 69.10 15.00 116.90 70.22 15.03 2 0 47.98-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~E 17 119.98 70.00 15.82 119.48 69.85 16.67 122.29 69.53 15.22 123.03 69.83 14.30 121.32 70.55 15.77 121.75 71.00 17.16 2 0 47.31-999 ?-999 ?-999 ? O4 PO4 G 105 mTYR~E 18 122.26 68.33 15.80 121.63 68.28 16.58 122.85 66.93 13.83 123.80 66.83 13.07 123.05 67.19 15.34 122.67 65.94 16.14 3 0 47.06-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~E 19 121.60 66.84 13.41 120.92 66.98 14.13 121.78 67.65 11.07 122.29 67.36 9.98 121.29 66.55 12.02 119.77 66.38 11.88 3 0 50.26-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~E 20 121.63 68.91 11.50 121.12 68.98 12.36 123.68 69.95 10.55 124.16 70.03 9.42 122.16 70.06 10.77 121.83 71.36 11.50 2 0 52.07-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~E 21 124.43 69.74 11.63 123.92 69.77 12.50 126.20 68.37 10.52 126.98 68.59 9.59 125.88 69.48 11.52 126.48 69.15 12.90 3 0 51.30-999 ?-999 ?-999 ? O4 PO4 G 105 mVAL~E 22 125.58 67.19 10.68 124.97 67.15 11.47 125.39 66.42 8.32 126.17 66.27 7.37 125.82 66.07 9.76 125.11 64.76 10.23 3 0 52.50-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~E 23 124.15 66.88 8.16 123.63 67.00 9.01 124.53 68.12 6.05 124.87 67.85 4.90 123.62 67.18 6.84 122.23 67.81 6.95 2 0 55.46-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~E 24 124.92 69.22 6.69 124.73 69.21 7.67 127.09 70.25 5.98 127.72 70.87 5.14 125.57 70.33 6.02 125.17 71.64 6.72 2 0 56.84-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~E 25 127.69 69.50 6.91 127.05 69.04 7.53 129.69 67.97 7.08 130.59 67.60 6.34 129.15 69.39 6.98 129.65 70.14 8.19 2 0 56.02-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY~E 26 129.15 67.20 8.01 128.33 67.58 8.43 129.68 64.85 7.26 130.71 64.27 6.89 129.73 65.90 8.35-999.99-999.99-999.99 1 0 54.23-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~E 27 128.50 64.61 6.71 127.77 65.24 7.00 129.13 63.72 4.49 129.65 62.75 3.93 128.30 63.52 5.78 126.77 63.29 5.52 3 0 56.40-999 ?-999 ?-999 ? O4 PO4 G 105 mALA~E 28 129.29 64.98 4.06 128.76 65.65 4.58 131.60 64.92 3.13 132.28 64.60 2.16 130.17 65.32 2.92 130.12 66.83 2.61 2 0 59.58-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~E 29 132.07 64.96 4.38 131.40 65.28 5.06 133.50 63.06 4.91 134.33 62.37 4.34 133.44 64.57 4.71 133.95 65.25 6.02 3 0 58.25-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~E 30 132.59 62.56 5.73 131.89 63.21 6.01 132.40 60.16 5.07 133.06 59.12 5.01 132.63 61.19 6.18 131.55 61.03 7.25 2 0 56.48-999 ?-999 ?-999 ? O4 PO4 G 105 mALA~E 31 131.43 60.44 4.20 131.10 61.38 4.23 131.90 58.98 2.20 132.07 57.78 1.96 130.91 59.40 3.30 129.57 59.81 2.72 2 0 59.03-999 ?-999 ?-999 ? O4 PO4 G 105 mPRO~E 32 132.54 59.94 1.55 132.28 60.87 1.80 134.70 58.74 1.11 135.16 57.82 0.45 133.54 59.57 0.55 134.07 60.94 0.08 3 0 62.15-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~E 33 135.16 59.06 2.31 134.67 59.83 2.74 135.89 56.94 3.36 136.63 56.00 3.11 136.28 58.37 2.94 136.80 59.18 4.16 3 0 60.36-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~E 34 134.74 56.81 4.01 134.22 57.66 4.12 133.79 54.63 3.39 133.87 53.42 3.46 134.29 55.51 4.52 133.21 55.68 5.60 3 0 58.53-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY~E 35 133.22 55.25 2.36 132.98 56.20 2.54 131.52 54.31 0.82 131.02 54.68 -0.24 132.97 54.58 1.10-999.99-999.99-999.99 1 0 61.72-999 ?-999 ?-999 ? O4 PO4 G 105 mASN.E 36 130.83 53.68 1.78 131.29 53.67 2.67 128.48 53.21 2.63 128.03 52.22 3.23 129.52 53.06 1.53 129.72 51.58 1.16 2 0 60.97-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU^E 37 128.08 54.45 2.88 128.66 55.15 2.47 125.71 53.92 3.13 125.40 54.00 1.96 126.89 54.72 3.68 126.55 56.22 3.62 3 0 58.44-999 ?-999 ?-999 ? O4 PO4 G 105 mILE^E 38 125.05 53.15 3.99 125.41 53.16 4.92 122.59 53.11 3.97 121.67 53.22 3.17 123.89 52.37 3.59 123.96 50.97 4.23 3 0 58.51-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^E 39 122.53 53.63 5.19 123.36 53.48 5.73 121.70 55.22 6.87 122.70 55.02 7.55 121.36 54.36 5.68-999.99-999.99-999.99 1 0 56.19-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^E 40 120.85 56.21 7.11 120.09 56.24 6.46 119.54 57.43 8.71 118.68 57.88 7.94 120.98 57.14 8.21 121.70 58.42 7.73 3 0 53.53-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE^E 41 119.28 57.15 9.98 120.10 56.99 10.53 117.78 57.76 11.86 118.72 57.68 12.66 117.90 57.08 10.51 117.43 55.63 10.72 3 0 51.31-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^E 42 116.61 58.40 12.09 116.05 58.48 11.26 115.02 58.11 13.89 114.01 58.02 13.22 116.20 58.93 13.39 115.76 60.38 13.31 3 0 48.56-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR^E 43 115.15 57.51 15.07 116.03 57.68 15.52 112.81 57.49 16.03 112.87 58.50 16.73 114.07 56.68 15.64 114.58 55.80 16.83 2 0 46.60-999 ?-999 ?-999 ? O1 PO4 G 105 mASP^E 44 111.66 56.99 15.59 111.76 56.17 15.03 109.55 56.82 16.93 108.74 57.40 17.68 110.38 57.61 15.90 109.57 57.73 14.62 2 0 47.00-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^E 45 109.71 55.50 16.92 110.30 55.15 16.19 110.09 53.65 18.38 110.62 52.85 17.62 109.07 54.64 17.88 107.82 53.92 17.32 3 0 45.53-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.E 46 110.35 53.68 19.68 109.76 54.32 20.19 112.20 53.71 21.26 111.66 54.63 21.89 111.38 52.87 20.30-999.99-999.99-999.99 1 0 42.82-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.E 47 113.50 53.39 21.39 113.81 52.54 20.95 114.37 55.59 21.37 114.53 55.55 20.15 114.36 54.29 22.13 115.74 53.60 22.09 3 0 40.30-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.E 48 114.14 56.70 22.06 114.09 56.58 23.05 115.24 58.83 21.53 116.19 58.47 22.25 113.99 57.99 21.40 112.78 58.74 21.95 3 0 40.90-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.E 49 115.24 59.96 20.82 114.35 60.18 20.43 117.61 59.87 20.17 118.72 60.00 20.64 116.46 60.77 20.63 116.80 61.55 21.90 2 0 41.41-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN^E 50 117.29 58.94 19.27 116.35 59.04 18.94 118.43 58.06 17.28 117.51 58.14 16.47 118.17 57.89 18.78 117.56 56.49 19.04 2 0 43.03-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^E 51 119.70 58.08 16.92 120.33 58.05 17.70 120.82 56.79 15.26 121.59 56.30 16.07 120.15 58.12 15.54 121.18 59.26 15.37 3 0 46.19-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^E 52 120.55 56.22 14.10 119.88 56.72 13.55 121.75 55.17 12.30 121.07 55.69 11.43 121.18 54.97 13.69 120.16 53.78 13.73 3 0 48.15-999 ?-999 ?-999 ? O1 PO4 G 105 mHIS^E 53 123.02 54.80 12.09 123.52 54.51 12.90 124.37 53.57 10.45 125.02 53.03 11.33 123.58 54.83 10.74 124.38 56.12 10.45 3 0 51.17-999 ?-999 ?-999 ? O1 PO4 G 105 mMETE 54 124.29 53.14 9.20 123.79 53.77 8.59 125.84 52.13 7.61 125.60 52.97 6.72 124.85 51.89 8.73 123.75 51.00 8.20 2 0 53.53-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP^E 55 126.93 51.38 7.67 126.91 50.69 8.39 128.51 50.17 6.30 128.72 49.28 7.11 128.06 51.53 6.77 129.22 52.19 7.49 3 0 55.84-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^E 56 128.72 50.03 5.00 128.53 50.86 4.46 130.69 48.80 4.21 131.29 49.85 3.92 129.19 48.77 4.43-999.99-999.99-999.99 1 0 58.63-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^E 57 131.30 47.62 4.34 130.68 46.87 4.56 133.00 46.07 3.58 132.18 45.15 3.72 132.73 47.45 4.17 133.45 47.56 5.53 3 0 59.56-999 ?-999 ?-999 ? O2 PO4 G 105 mALA.E 58 134.16 45.94 2.95 134.69 46.79 2.89 135.09 43.69 3.48 134.97 42.46 3.32 134.62 44.66 2.39 135.75 44.90 1.40 2 0 62.12-999 ?-999 ?-999 ? O2 PO4 G 105 mSER~E 59 135.66 44.25 4.55 135.64 45.25 4.54 136.44 44.40 6.81 136.27 45.63 6.69 136.24 43.47 5.63 137.59 42.86 5.20 2 0 59.62-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~E 60 136.81 43.82 7.95 136.86 42.82 7.91 138.44 45.37 9.02 138.58 46.46 9.57 137.11 44.62 9.13 137.05 43.77 10.40 3 0 56.25-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~E 61 139.39 44.80 8.29 139.18 43.87 8.01 140.30 46.75 7.12 140.73 47.86 7.45 140.63 45.50 7.93 141.53 44.56 7.11 2 0 58.17-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~E 62 139.52 46.56 6.06 139.27 45.61 5.92 138.42 48.82 6.00 138.75 50.00 5.81 139.09 47.67 5.20 138.15 47.12 4.15 2 0 59.91-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~E 63 137.51 48.46 6.89 137.29 47.48 6.88 137.93 50.18 8.63 137.90 51.40 8.69 136.89 49.42 7.81 135.93 48.68 8.76 2 0 56.60-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~E 64 138.83 49.43 9.27 138.72 48.45 9.12 140.74 51.01 9.36 141.06 52.09 9.89 139.89 50.00 10.12 140.79 48.90 10.68 2 0 55.14-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~E 65 141.10 50.64 8.13 140.77 49.74 7.86 141.12 52.76 6.93 141.65 53.87 7.05 141.90 51.49 7.27 142.32 50.72 6.00 2 0 58.30-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~E 66 139.86 52.62 6.53 139.52 51.68 6.53 138.82 54.71 7.30 138.92 55.92 7.15 139.08 53.78 6.13 137.77 53.36 5.45 2 0 58.26-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~E 67 138.49 54.15 8.45 138.46 53.15 8.43 139.44 55.62 10.19 139.35 56.70 10.78 138.19 54.94 9.64 137.55 54.06 10.73 2 0 54.55-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY~E 68 140.59 54.98 10.01 140.50 54.05 9.65 142.12 56.79 9.40 142.57 57.83 9.87 141.87 55.60 10.31-999.99-999.99-999.99 1 0 55.02-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~E 69 141.82 56.64 8.11 141.55 55.71 7.86 140.93 58.88 7.59 141.27 60.07 7.50 141.88 57.75 7.17 141.59 57.27 5.74 2 0 57.86-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~E 70 139.76 58.51 8.09 139.59 57.52 8.13 139.36 60.28 9.74 139.31 61.51 9.79 138.82 59.52 8.52 137.44 58.90 8.80 3 0 55.60-999 ?-999 ?-999 ? O4 PO4 G 105 mALA~E 71 139.89 59.55 10.72 139.85 58.57 10.55 141.64 61.10 11.60 141.85 62.08 12.33 140.48 60.16 11.91 140.96 59.08 12.86 2 0 52.90-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~E 72 142.37 60.83 10.51 142.07 60.00 10.03 143.10 62.86 9.23 143.95 63.68 8.85 143.49 61.65 10.08 144.49 60.80 9.26 2 0 55.71-999 ?-999 ?-999 ? O4 PO4 G 105 mASP~E 73 141.82 62.96 8.88 141.22 62.29 9.29 141.13 65.27 8.74 140.41 65.26 9.74 141.39 63.99 7.95 140.13 63.56 7.21 2 0 57.10-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~E 74 141.75 66.36 8.29 142.21 66.22 7.41 140.33 68.20 9.17 139.99 68.74 10.22 141.75 67.64 9.01 142.66 68.66 8.29 2 0 56.63-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~E 75 139.50 68.06 8.14 139.90 67.58 7.36 137.32 67.80 9.24 136.64 68.40 10.09 138.12 68.56 8.19 137.45 68.46 6.81 2 0 56.44-999 ?-999 ?-999 ? O4 PO4 G 105 mTRP~E 76 137.43 66.47 9.21 137.95 66.12 8.43 137.28 65.98 11.66 136.47 66.08 12.59 136.82 65.63 10.23 137.12 64.15 9.98 3 0 53.74-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~E 77 138.58 66.17 11.84 139.14 66.03 11.02 138.57 67.90 13.65 138.32 68.04 14.86 139.12 66.55 13.13 140.63 66.57 13.09 2 0 51.77-999 ?-999 ?-999 ? O4 PO4 G 105 mALA~E 78 138.37 68.86 12.76 138.68 68.64 11.84 136.22 69.96 13.42 135.64 70.67 14.24 137.73 70.14 13.15 137.96 71.21 12.07 2 0 51.94-999 ?-999 ?-999 ? O4 PO4 G 105 mPHE~E 79 135.61 69.00 12.73 136.22 68.43 12.18 133.71 67.97 13.99 132.77 68.35 14.69 134.16 68.81 12.80 133.67 68.15 11.51 3 0 51.10-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~E 80 134.36 66.84 14.20 135.21 66.75 13.68 133.65 66.32 16.61 132.68 65.90 17.26 133.85 65.83 15.15 134.68 64.47 15.06 3 0 48.32-999 ?-999 ?-999 ? O4 PO4 G 105 mPRO~E 81 134.51 67.23 17.11 135.28 67.50 16.53 132.90 68.48 18.61 132.24 68.34 19.64 134.25 67.76 18.46 135.40 68.76 18.68 3 0 45.53-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~E 82 132.48 69.21 17.59 133.13 69.27 16.83 130.04 68.82 17.65 129.04 69.01 18.33 131.18 69.85 17.62 131.06 70.82 16.44 2 0 46.09-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~E 83 130.22 67.72 16.95 131.07 67.69 16.42 129.24 65.82 18.28 128.16 65.50 18.82 129.23 66.64 16.96 129.45 65.71 15.77 3 0 45.81-999 ?-999 ?-999 ? O4 PO4 G 105 mSER~E 84 130.44 65.49 18.76 131.20 65.83 18.20 129.96 65.26 21.27 129.54 64.50 22.16 130.63 64.70 20.00 132.12 64.52 20.29 2 0 42.80-999 ?-999 ?-999 ? O4 PO4 G 105 mVAL~E 85 129.87 66.58 21.35 130.23 67.08 20.57 127.74 67.03 22.58 127.12 67.23 23.63 129.27 67.22 22.52 129.69 68.73 22.62 3 0 40.50-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU.E 86 127.13 66.63 21.47 127.74 66.55 20.68 125.35 64.87 21.66 124.18 64.51 21.80 125.69 66.36 21.43 125.09 66.84 20.10 3 0 41.00-999 ?-999 ?-999 ? O4 PO4 G 105 mILE^E 87 126.37 64.01 21.71 127.28 64.44 21.65 126.26 62.20 23.32 127.32 62.37 23.93 126.16 62.58 21.85 127.19 61.80 21.01 3 0 40.17-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU^E 88 125.15 61.72 23.89 124.36 61.70 23.27 125.68 59.84 25.45 126.32 59.52 26.45 125.12 61.27 25.30 123.71 61.31 25.89 2 0 36.59-999 ?-999 ?-999 ? O4 PO4 G 105 mSER^E 89 125.43 59.00 24.45 124.90 59.39 23.69 125.96 57.07 23.05 125.29 57.55 22.14 125.89 57.63 24.48 124.95 56.82 25.37 2 0 37.48-999 ?-999 ?-999 ? O4 PO4 G 105 mSER^E 90 126.82 56.08 22.86 127.31 55.82 23.70 127.46 53.95 21.73 128.09 53.54 22.73 127.02 55.42 21.58 128.08 56.18 20.79 2 0 40.63-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU^E 91 127.13 53.17 20.71 126.58 53.63 20.02 127.53 51.38 19.14 127.04 52.14 18.29 127.51 51.76 20.61 126.55 50.86 21.39 2 0 42.10-999 ?-999 ?-999 ? O2 PO4 G 105 mASN^E 92 128.11 50.22 18.83 128.54 49.75 19.60 128.23 48.21 17.45 128.50 47.57 18.49 128.10 49.71 17.47 129.19 50.37 16.58 2 0 45.56-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^E 93 128.01 47.65 16.26 127.80 48.29 15.52 128.29 45.89 14.62 128.02 46.71 13.75 128.09 46.22 16.07 126.83 45.53 16.61 2 0 47.60-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^E 94 128.78 44.67 14.37 128.94 44.12 15.19 128.01 43.13 12.65 127.81 42.19 13.40 129.04 44.20 13.02 130.47 43.66 12.86 3 0 51.14-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^E 95 127.36 43.34 11.50 127.68 44.15 11.01 126.76 41.84 9.69 127.29 42.49 8.79 126.30 42.51 10.98 125.07 43.37 10.68 3 0 53.30-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^E 96 126.56 40.53 9.62 126.24 40.12 10.47 125.45 39.50 7.69 124.57 38.83 8.23 126.79 39.76 8.41 127.50 38.46 8.75 3 0 56.58-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO^E 97 125.28 40.07 6.48 125.98 40.72 6.19 123.99 38.21 5.47 124.99 37.54 5.26 124.11 39.72 5.69 124.37 40.42 4.35 3 0 59.07-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR.E 98 122.78 37.69 5.56 122.07 38.32 5.86 122.50 36.14 3.70 122.45 37.14 2.95 122.53 36.29 5.22 121.21 35.81 5.77 2 0 60.60-999 ?-999 ?-999 ? O2 PO4 G 105 mASP.E 99 122.50 34.90 3.22 122.51 34.17 3.90 121.13 35.04 1.13 121.04 35.04 -0.09 122.47 34.69 1.78 123.00 33.30 1.36 2 0 64.38-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE.E 100 120.11 35.34 1.93 120.32 35.24 2.90 118.50 37.22 1.77 117.37 37.67 1.71 118.81 35.76 1.40 117.71 34.83 1.89 3 0 64.40-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.E 101 119.53 37.97 2.13 120.39 37.47 2.21 119.47 40.15 1.07 120.52 40.14 0.43 119.39 39.40 2.39 120.50 39.89 3.32 2 0 62.26-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.E 102 118.38 40.83 0.67 117.57 40.75 1.24 119.65 42.59 -0.58 120.22 42.85 -1.63 118.47 41.61 -0.58 117.12 42.35 -0.64 3 0 64.52-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.E 103 120.00 43.11 0.60 119.32 42.97 1.33 122.32 42.81 1.30 122.24 42.35 2.45 121.26 43.81 0.81 121.07 44.94 1.82 3 0 62.60-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.E 104 123.28 42.46 0.45 123.22 42.87 -0.46 125.61 41.64 0.03 125.63 42.01 -1.14 124.34 41.54 0.86 123.82 40.12 0.85 2 0 63.21-999 ?-999 ?-999 ? O1 PO4 G 105 mHIS.F 0 108.19 59.34 1.41 107.65 59.28 0.57 109.55 58.07 3.08 110.77 57.95 3.17 108.98 59.43 2.66 108.15 60.05 3.79 3 0 60.25-999 ?-999 ?-999 ? O1 PO4 G 105 mMETF 1 108.69 57.06 3.29 107.75 57.37 3.16 109.60 55.49 5.11 110.48 56.21 5.55 109.07 55.66 3.69 110.09 54.98 2.75 2 0 59.26-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 2 109.10 54.47 5.79 108.39 53.97 5.29 110.20 52.76 7.12 109.88 51.92 6.28 109.53 54.13 7.13 108.33 54.22 8.16 3 0 55.89-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^F 3 111.14 52.55 8.04 111.34 53.35 8.62 111.58 50.68 9.56 111.78 51.34 10.57 111.82 51.26 8.18 113.35 51.38 7.94 3 0 54.74-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^F 4 111.11 49.45 9.59 110.85 49.08 8.70 112.24 47.87 10.95 112.57 47.13 10.03 111.00 48.71 10.83 109.76 47.83 10.85 2 0 52.69-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^F 5 112.94 48.03 12.07 112.63 48.80 12.63 113.55 46.17 13.52 112.96 46.56 14.51 114.04 47.17 12.45 115.22 48.00 12.97 2 0 50.95-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^F 6 113.74 44.88 13.26 114.17 44.71 12.37 114.65 43.09 14.63 115.44 42.66 13.81 113.37 43.81 14.18 112.39 42.85 13.49 2 0 50.24-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 7 114.85 43.04 15.95 114.07 43.38 16.48 115.66 41.36 17.46 114.87 41.51 18.39 116.06 42.53 16.57 116.77 43.62 17.44 3 0 48.03-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^F 8 116.18 40.17 17.15 116.84 40.20 16.39 117.01 38.34 18.53 118.07 38.30 17.92 115.81 38.95 17.87 115.25 37.91 16.91 3 0 48.16-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^F 9 116.85 37.85 19.76 116.00 38.14 20.20 117.39 35.52 20.24 116.33 35.12 20.70 117.83 36.97 20.40 118.03 37.33 21.88 2 0 46.56-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 10 118.20 34.73 19.57 119.01 35.20 19.22 118.58 32.50 20.49 119.67 32.85 20.99 117.94 33.31 19.35 118.52 32.84 17.97 3 0 49.21-999 ?-999 ?-999 ? O2 PO4 G 105 mARG.F 11 117.92 31.41 20.88 117.04 31.28 20.41 119.82 29.98 21.54 120.09 29.73 20.37 118.43 30.50 21.91 117.51 29.30 22.10 2 0 48.45-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.F 12 120.67 29.81 22.55 120.34 30.13 23.43 121.98 27.89 21.56 121.28 26.92 21.92 121.99 29.20 22.35-999.99-999.99-999.99 1 0 48.61-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.F 13 122.75 27.87 20.48 123.23 28.73 20.30 121.86 26.56 18.52 121.93 25.61 17.74 122.89 26.71 19.62-999.99-999.99-999.99 1 0 52.27-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~F 14 120.90 27.48 18.44 121.01 28.25 19.07 119.86 28.29 16.30 118.96 28.32 15.49 119.79 27.35 17.50 118.47 27.52 18.25 2 0 53.74-999 ?-999 ?-999 ? O2 PO4 G 105 mMETF 15 120.95 29.03 16.16 121.67 28.86 16.84 120.90 29.37 13.73 120.10 29.84 12.93 121.06 30.00 15.10 122.40 30.76 15.18 2 0 54.32-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~F 16 121.67 28.32 13.44 122.26 28.02 14.19 120.28 27.00 11.87 119.90 26.85 10.72 121.61 27.67 12.13 122.72 26.64 11.95 2 0 58.04-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~F 17 119.60 26.58 12.93 120.09 26.69 13.80 117.27 27.10 12.40 116.47 26.91 11.48 118.26 26.02 12.81 117.83 25.37 14.13 2 0 58.50-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR~F 18 117.35 28.24 13.08 118.04 28.22 13.81 116.71 29.86 11.36 115.73 30.11 10.67 116.52 29.40 12.80 116.82 30.55 13.80 3 0 56.94-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~F 19 117.95 29.94 10.90 118.65 29.65 11.55 117.68 29.53 8.44 117.20 30.02 7.41 118.24 30.43 9.53 119.75 30.61 9.31 3 0 59.17-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~F 20 117.76 28.22 8.68 118.19 28.01 9.56 115.78 27.33 7.57 115.29 27.28 6.45 117.28 27.20 7.76 117.59 25.81 8.29 2 0 62.32-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~F 21 115.06 27.51 8.66 115.58 27.48 9.52 113.28 28.98 7.77 112.46 28.92 6.86 113.61 27.74 8.60 113.00 27.85 10.00 3 0 61.67-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL~F 22 113.96 30.09 8.06 114.62 29.99 8.80 114.13 31.23 5.87 113.37 31.60 4.97 113.71 31.34 7.33 114.38 32.55 8.02 3 0 61.08-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~F 23 115.34 30.73 5.62 115.86 30.49 6.44 114.92 29.67 3.38 114.65 30.01 2.23 115.83 30.54 4.25 117.22 29.92 4.25 2 0 63.99-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~F 24 114.44 28.56 3.94 114.60 28.48 4.93 112.23 27.67 3.15 111.59 27.12 2.27 113.75 27.55 3.16 114.18 26.16 3.63 2 0 66.48-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~F 25 111.66 28.40 4.09 112.30 28.86 4.71 109.68 29.89 4.50 108.88 30.44 3.76 110.19 28.50 4.19 109.67 27.57 5.28 2 0 65.61-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~F 26 110.13 30.43 5.62 110.87 29.92 6.05 109.67 32.81 5.18 108.70 33.52 4.99 109.59 31.66 6.15-999.99-999.99-999.99 1 0 62.61-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~F 27 110.83 32.99 4.56 111.48 32.23 4.63 110.21 34.23 2.55 109.70 35.26 2.15 111.07 34.23 3.83 112.63 34.53 3.64 3 0 63.41-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~F 28 110.02 33.06 1.94 110.49 32.30 2.38 107.71 33.29 0.99 107.01 33.77 0.10 109.19 32.94 0.74 109.29 31.51 0.18 2 0 67.03-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~F 29 107.25 33.03 2.21 107.90 32.56 2.80 105.86 34.89 2.98 105.09 35.65 2.43 105.91 33.40 2.64 105.53 32.61 3.89 3 0 65.79-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~F 30 106.73 35.28 3.90 107.40 34.56 4.12 106.96 37.76 3.55 106.26 38.76 3.60 106.72 36.60 4.51 107.82 36.61 5.58 2 0 62.76-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~F 31 107.97 37.63 2.69 108.35 36.70 2.65 107.45 39.35 0.88 107.28 40.58 0.83 108.46 38.75 1.87 109.77 38.36 1.15 2 0 64.14-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~F 32 106.80 38.49 0.06 107.07 37.53 0.14 104.63 39.78 -0.15 104.14 40.78 -0.68 105.76 39.00 -0.85 105.19 37.73 -1.49 3 0 67.16-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~F 33 104.24 39.31 1.02 104.77 38.53 1.34 103.51 41.20 2.40 102.76 42.18 2.31 103.12 39.88 1.76 102.62 38.89 2.83 3 0 65.15-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~F 34 104.68 41.22 3.06 105.18 40.36 3.03 105.67 43.45 2.77 105.58 44.66 3.02 105.15 42.42 3.76 106.19 42.06 4.81 3 0 62.09-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~F 35 106.19 42.98 1.63 106.42 42.00 1.65 107.82 44.33 0.19 108.18 44.43 -0.97 106.41 43.84 0.48-999.99-999.99-999.99 1 0 64.54-999 ?-999 ?-999 ? O1 PO4 G 105 mASN.F 36 108.61 44.67 1.21 108.23 44.47 2.12 110.98 44.93 2.02 111.39 45.78 2.81 109.92 45.29 0.97 109.80 46.82 0.85 2 0 63.06-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^F 37 111.42 43.67 1.99 110.90 43.06 1.39 113.81 44.02 2.38 114.28 43.91 1.27 112.58 43.23 2.78 112.84 41.75 2.54 3 0 61.38-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 38 114.34 44.81 3.30 113.86 44.81 4.18 116.79 44.78 3.31 117.72 44.76 2.51 115.53 45.60 3.02 115.54 46.89 3.83 3 0 60.28-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^F 39 116.81 44.13 4.46 115.96 44.18 4.98 117.73 42.40 5.99 116.81 42.55 6.79 118.00 43.42 4.91-999.99-999.99-999.99 1 0 58.78-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^F 40 118.55 41.35 5.99 119.20 41.35 5.23 119.95 39.99 7.41 120.77 39.63 6.56 118.50 40.31 7.00 117.79 39.08 6.43 3 0 57.63-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE^F 41 120.28 40.18 8.68 119.50 40.39 9.27 121.76 39.23 10.43 120.79 39.19 11.23 121.66 40.06 9.15 122.25 41.44 9.49 3 0 55.63-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^F 42 122.92 38.61 10.60 123.50 38.62 9.78 124.48 38.78 12.45 125.42 39.16 11.72 123.33 37.96 11.86 123.82 36.49 11.65 3 0 53.80-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR^F 43 124.43 39.04 13.75 123.63 38.65 14.21 126.78 39.04 14.61 126.75 37.91 15.10 125.47 39.83 14.41 124.99 40.33 15.76 2 0 50.81-999 ?-999 ?-999 ? O2 PO4 G 105 mASP^F 44 127.90 39.61 14.19 127.79 40.52 13.79 129.98 39.47 15.53 130.70 38.72 16.19 129.19 38.94 14.34 130.04 39.08 13.07 2 0 51.51-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^F 45 129.87 40.77 15.76 129.31 41.27 15.09 129.49 42.37 17.53 129.00 43.29 16.87 130.51 41.41 16.90 131.81 42.19 16.52 3 0 48.46-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.F 46 129.20 42.12 18.80 129.73 41.36 19.18 127.46 41.83 20.35 128.05 40.82 20.77 128.23 42.86 19.55-999.99-999.99-999.99 1 0 45.20-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.F 47 126.15 42.07 20.56 125.81 42.97 20.27 125.24 39.86 20.20 124.89 40.02 19.03 125.33 41.05 21.16 123.97 41.75 21.32 3 0 44.06-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.F 48 125.59 38.69 20.70 125.75 38.69 21.68 124.45 36.67 19.90 123.57 36.92 20.75 125.71 37.51 19.85 126.93 36.69 20.29 3 0 46.69-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.F 49 124.37 35.67 19.00 125.25 35.47 18.57 121.93 35.92 18.49 120.85 35.75 19.05 123.12 34.95 18.67 122.82 33.87 19.72 2 0 48.78-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN^F 50 122.18 36.94 17.67 123.11 36.90 17.29 121.02 38.01 15.82 121.97 37.91 15.07 121.25 38.00 17.35 121.85 39.34 17.84 2 0 48.72-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^F 51 119.77 38.06 15.38 119.08 37.86 16.08 118.79 39.73 13.97 118.11 40.12 14.91 119.45 38.37 13.99 118.50 37.36 13.28 3 0 51.71-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 52 118.98 40.43 12.86 119.60 39.99 12.21 117.83 41.74 11.20 118.54 41.36 10.27 118.36 41.74 12.63 119.37 42.90 12.84 3 0 51.85-999 ?-999 ?-999 ? O1 PO4 G 105 mHIS^F 53 116.57 42.13 11.03 116.08 42.32 11.89 115.20 43.56 9.62 114.62 44.01 10.61 115.96 42.27 9.71 115.08 41.06 9.29 3 0 54.62-999 ?-999 ?-999 ? O1 PO4 G 105 mMETF 54 115.26 44.17 8.44 115.76 43.66 7.74 113.64 45.37 7.06 113.88 44.71 6.04 114.65 45.46 8.18 115.70 46.49 7.85 2 0 55.39-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP^F 55 112.53 46.06 7.26 112.56 46.63 8.09 110.91 47.44 6.09 110.69 48.23 6.99 111.38 46.02 6.39 110.25 45.26 7.04 3 0 57.44-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^F 56 110.75 47.73 4.81 110.92 46.97 4.18 108.86 49.08 4.17 108.29 48.12 3.65 110.35 49.05 4.38-999.99-999.99-999.99 1 0 59.01-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^F 57 108.23 50.17 4.59 108.81 50.80 5.09 106.57 51.84 3.94 107.31 52.75 4.38 106.80 50.39 4.34 105.97 50.10 5.58 3 0 59.59-999 ?-999 ?-999 ? O1 PO4 G 105 mALA.F 58 105.54 52.06 3.13 105.06 51.23 2.84 104.54 54.19 3.85 104.68 55.41 3.93 105.17 53.40 2.70 104.19 53.32 1.53 2 0 61.25-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~F 59 103.82 53.49 4.72 103.69 52.53 4.46 103.00 52.99 6.99 102.97 51.79 6.69 103.28 54.07 5.94 101.99 54.83 5.66 2 0 58.61-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~F 60 102.78 53.45 8.21 102.82 54.45 8.29 101.14 51.89 9.20 101.01 50.73 9.57 102.51 52.57 9.32 102.63 53.35 10.64 3 0 55.79-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~F 61 100.14 52.61 8.70 100.35 53.57 8.53 99.02 50.87 7.42 98.42 49.81 7.57 98.85 51.99 8.44 97.79 52.99 7.98 2 0 57.96-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~F 62 99.85 51.10 6.40 100.22 52.03 6.36 100.94 48.89 6.12 100.69 47.72 5.80 100.18 50.05 5.45 100.95 50.58 4.23 2 0 60.48-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~F 63 101.87 49.20 7.04 102.06 50.17 7.16 101.46 47.27 8.49 101.50 46.04 8.42 102.52 48.12 7.79 103.52 48.63 8.83 2 0 57.84-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~F 64 100.53 47.93 9.17 100.58 48.92 9.11 98.70 46.30 9.03 98.46 45.14 9.37 99.52 47.21 9.93 98.60 48.19 10.70 2 0 57.07-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~F 65 98.27 46.82 7.88 98.54 47.77 7.75 98.24 44.78 6.51 97.69 43.69 6.52 97.49 46.06 6.93 97.16 46.93 5.70 2 0 60.78-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~F 66 99.52 44.94 6.19 99.87 45.86 6.35 100.74 42.83 6.71 100.75 41.62 6.44 100.33 43.85 5.65 101.54 44.42 4.89 2 0 61.40-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~F 67 101.06 43.29 7.92 101.07 44.29 7.99 100.13 41.63 9.49 100.22 40.49 9.93 101.36 42.38 9.03 102.05 43.11 10.20 2 0 58.35-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~F 68 98.97 42.27 9.39 99.06 43.24 9.14 97.38 40.56 8.57 96.85 39.51 8.90 97.68 41.62 9.62-999.99-999.99-999.99 1 0 59.37-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~F 69 97.71 40.84 7.31 98.04 41.77 7.18 98.46 38.63 6.50 97.97 37.48 6.43 97.58 39.85 6.24 97.91 40.47 4.87 2 0 62.88-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~F 70 99.73 38.88 6.80 99.97 39.86 6.76 100.17 36.92 8.26 100.25 35.69 8.15 100.69 37.84 7.16 101.99 38.49 7.61 3 0 61.62-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~F 71 99.65 37.52 9.32 99.63 38.52 9.26 97.96 35.86 10.16 97.74 34.85 10.84 99.18 36.76 10.47 98.86 37.70 11.63 2 0 59.62-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~F 72 97.18 36.23 9.16 97.43 37.09 8.73 96.42 34.38 7.65 95.61 33.54 7.29 96.05 35.40 8.73 94.90 36.28 8.25 2 0 62.77-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~F 73 97.62 34.46 7.10 98.21 35.19 7.46 98.26 32.15 6.69 99.00 32.03 7.68 98.01 33.53 6.06 99.26 34.04 5.34 2 0 65.01-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~F 74 97.64 31.11 6.13 97.18 31.34 5.26 99.00 29.08 6.74 99.27 28.26 7.60 97.63 29.78 6.74 96.59 28.86 6.07 2 0 66.10-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~F 75 99.86 29.40 5.77 99.48 30.01 5.07 102.08 29.50 6.87 102.84 28.81 7.54 101.23 28.88 5.75 101.90 29.14 4.41 2 0 66.15-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP~F 76 101.95 30.81 7.04 101.36 31.26 6.37 102.21 30.96 9.49 103.04 30.82 10.40 102.64 31.50 8.13 102.37 33.00 8.06 3 0 62.58-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~F 77 100.93 30.64 9.64 100.36 30.79 8.82 101.03 28.77 11.22 101.33 28.49 12.38 100.42 30.12 10.90 98.90 30.02 10.90 2 0 61.54-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~F 78 101.20 27.95 10.19 100.86 28.30 9.32 103.33 26.80 10.60 103.95 25.99 11.29 101.82 26.65 10.35 101.56 25.78 9.13 2 0 63.21-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE~F 79 103.90 27.86 10.05 103.27 28.48 9.58 105.78 28.76 11.45 106.75 28.33 12.10 105.33 28.09 10.14 105.78 28.95 8.96 3 0 61.70-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~F 80 105.10 29.84 11.82 104.23 29.98 11.34 105.87 30.06 14.24 106.82 30.43 14.92 105.62 30.72 12.87 104.80 32.05 12.99 3 0 58.08-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~F 81 105.04 29.06 14.64 104.28 28.83 14.03 106.68 27.65 15.95 107.31 27.57 17.01 105.33 28.40 15.92 104.15 27.43 16.09 3 0 56.80-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~F 82 107.10 27.12 14.81 106.45 27.22 14.05 109.57 27.44 14.79 110.65 27.10 15.30 108.40 26.46 14.71 108.46 25.63 13.42 2 0 58.08-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~F 83 109.36 28.67 14.31 108.48 28.81 13.86 110.37 30.25 15.88 111.45 30.50 16.43 110.36 29.71 14.45 110.11 30.85 13.48 3 0 56.18-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~F 84 109.18 30.41 16.46 108.43 29.99 15.94 109.62 30.44 18.94 110.12 31.10 19.83 108.99 31.13 17.73 107.50 31.33 18.01 2 0 52.99-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL~F 85 109.57 29.12 18.97 109.05 28.73 18.21 111.75 28.49 20.07 112.38 28.04 21.04 110.21 28.32 20.01 109.83 26.83 19.80 3 0 52.40-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.F 86 112.35 29.10 19.04 111.73 29.39 18.31 114.18 30.77 19.41 115.37 31.11 19.51 113.80 29.33 19.00 114.36 29.02 17.60 3 0 52.04-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 87 113.19 31.61 19.65 112.27 31.21 19.59 113.32 33.20 21.49 112.28 32.93 22.08 113.42 33.00 19.98 112.43 33.91 19.23 3 0 49.32-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^F 88 114.41 33.63 22.11 115.20 33.75 21.52 113.83 35.27 23.84 113.08 35.43 24.79 114.42 33.91 23.55 115.84 33.87 24.11 2 0 45.70-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^F 89 114.17 36.24 23.01 114.72 35.93 22.24 113.59 38.31 21.84 114.18 37.87 20.84 113.78 37.62 23.20 114.87 38.33 24.01 2 0 44.24-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^F 90 112.76 39.35 21.81 112.32 39.56 22.68 112.18 41.56 20.85 111.63 41.88 21.90 112.55 40.10 20.58 111.44 39.45 19.72 2 0 45.71-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^F 91 112.50 42.43 19.91 113.08 42.07 19.18 112.09 44.43 18.59 112.71 43.88 17.69 112.01 43.79 19.96 112.82 44.62 20.95 2 0 45.05-999 ?-999 ?-999 ? O1 PO4 G 105 mASN^F 92 111.48 45.59 18.45 111.01 45.92 19.27 111.42 47.81 17.39 111.18 48.28 18.51 111.49 46.31 17.19 110.35 45.83 16.26 2 0 47.03-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^F 93 111.65 48.55 16.30 111.90 48.01 15.50 111.31 50.57 14.89 111.61 49.93 13.89 111.54 50.00 16.30 112.77 50.65 16.92 2 0 47.08-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^F 94 110.76 51.78 14.87 110.60 52.17 15.77 111.44 53.58 13.44 111.47 54.58 14.20 110.43 52.47 13.65 109.00 53.06 13.68 3 0 49.52-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^F 95 112.24 53.37 12.38 112.05 52.50 11.93 112.79 55.15 10.78 112.21 54.63 9.84 113.29 54.28 11.92 114.48 53.46 11.43 3 0 50.52-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^F 96 112.99 56.47 10.88 113.35 56.76 11.76 113.98 57.84 9.07 114.82 58.48 9.67 112.69 57.40 9.77 111.92 58.63 10.25 3 0 52.59-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO^F 97 114.14 57.50 7.78 113.39 56.96 7.37 115.52 59.43 7.03 114.55 60.16 6.93 115.33 57.91 7.04 115.04 57.44 5.61 3 0 54.96-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR.F 98 116.76 59.89 7.12 117.45 59.20 7.34 117.02 61.61 5.39 117.03 60.67 4.56 117.05 61.31 6.91 118.43 61.67 7.47 2 0 55.03-999 ?-999 ?-999 ? O1 PO4 G 105 mASP.F 99 116.98 62.90 5.01 116.91 63.56 5.76 118.43 62.99 2.97 118.59 63.16 1.76 117.05 63.28 3.60 116.62 64.74 3.35 2 0 58.47-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE.F 100 119.41 62.55 3.76 119.18 62.54 4.74 120.97 60.61 3.43 122.11 60.17 3.39 120.70 62.11 3.21 121.85 62.96 3.78 3 0 58.64-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.F 101 119.93 59.82 3.65 119.06 60.31 3.74 119.88 57.76 2.38 118.83 57.90 1.77 120.06 58.39 3.76 118.99 57.84 4.70 2 0 57.97-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.F 102 120.89 57.05 1.89 121.73 57.05 2.43 119.43 55.43 0.60 118.78 55.28 -0.42 120.67 56.34 0.61 121.96 55.50 0.47 3 0 61.15-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.F 103 119.13 54.83 1.74 119.81 54.98 2.46 116.86 54.97 2.44 117.00 55.50 3.55 117.92 54.02 1.92 118.21 52.95 2.96 3 0 60.02-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.F 104 115.82 55.20 1.66 115.70 54.51 0.94 113.64 56.13 1.07 113.70 55.53 0.00 114.93 56.36 1.85 115.65 57.61 1.32 2 0 60.19-999 ?-999 ?-999 ? O1 PO4 G 105 mHIS.G 0 136.36 47.93 59.21 137.35 47.91 59.07 134.20 46.78 58.71 134.79 46.11 57.88 134.88 47.96 59.40 134.29 49.26 58.86 3 0 15.27-999 ?-999 ?-999 ? O2 PO4 G 105 mMETG 1 132.95 46.54 59.07 132.63 47.14 59.81 131.78 45.83 56.98 131.56 46.99 56.61 132.12 45.51 58.45 130.83 45.38 59.27 2 0 15.24-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^G 2 131.75 44.80 56.14 132.05 43.94 56.55 130.01 44.14 54.54 129.78 43.12 55.20 131.30 44.93 54.75 132.40 44.50 53.71 3 0 16.51-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^G 3 129.16 44.62 53.64 129.43 45.49 53.24 127.94 43.47 51.83 128.32 44.23 50.94 127.93 43.91 53.29 126.68 44.77 53.58 3 0 16.65-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^G 4 127.54 42.22 51.61 127.44 41.67 52.45 125.74 41.62 50.05 125.02 41.05 50.87 127.26 41.70 50.29 127.85 40.31 50.13 2 0 19.91-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^G 5 125.30 42.19 48.93 126.00 42.73 48.45 123.89 41.08 47.25 124.52 41.31 46.23 123.92 42.06 48.43 123.40 43.42 47.99 2 0 20.38-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^G 6 123.20 39.96 47.42 122.82 39.84 48.34 121.60 39.19 45.84 120.66 39.37 46.62 123.01 39.00 46.36 123.25 37.60 46.90 2 0 24.02-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^G 7 121.44 39.22 44.52 122.27 39.02 44.00 119.87 38.49 42.83 120.61 38.39 41.87 120.16 39.52 43.90 120.18 40.89 43.24 3 0 25.50-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^G 8 118.82 37.70 43.01 118.30 37.86 43.84 117.15 36.95 41.34 116.18 37.39 41.97 118.50 36.67 42.03 118.44 35.28 42.68 3 0 29.02-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^G 9 117.10 36.67 40.03 118.00 36.54 39.61 115.44 35.09 39.24 116.17 34.28 38.72 115.83 36.56 39.30 115.93 37.16 37.89 2 0 31.54-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^G 10 114.29 34.77 39.80 113.79 35.56 40.16 112.88 33.12 38.67 112.21 34.04 38.17 113.79 33.39 39.88 113.01 33.18 41.21 3 0 33.80-999 ?-999 ?-999 ? O1 PO4 G 105 mARG.G 11 112.87 31.89 38.17 113.48 31.25 38.64 110.53 31.72 37.37 110.08 31.50 38.52 112.01 31.52 37.04 112.28 30.09 36.56 2 0 37.40-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.G 12 109.77 32.16 36.37 110.27 32.27 35.51 107.62 31.23 37.02 107.78 30.15 36.45 108.36 32.45 36.52-999.99-999.99-999.99 1 0 38.12-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.G 13 106.83 31.41 38.08 106.81 32.36 38.41 106.86 29.50 39.74 106.31 28.59 40.36 106.08 30.33 38.72-999.99-999.99-999.99 1 0 39.03-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~G 14 108.13 29.82 39.96 108.44 30.65 39.50 109.32 29.62 42.18 109.99 28.96 42.99 108.97 29.00 40.82 110.23 28.55 40.05 2 0 37.82-999 ?-999 ?-999 ? O1 PO4 G 105 mMETG 15 108.84 30.84 42.44 108.26 31.20 41.71 108.84 30.78 44.98 109.74 30.59 45.80 109.14 31.56 43.70 108.40 32.89 43.77 2 0 34.22-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~G 16 107.60 30.32 45.14 106.97 30.54 44.40 108.05 28.25 46.49 108.24 27.73 47.60 107.24 29.54 46.34 105.73 29.23 46.38 2 0 35.24-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~G 17 108.50 27.71 45.35 108.22 28.19 44.52 110.73 26.92 45.82 111.39 26.16 46.54 109.33 26.53 45.35 109.38 25.94 43.95 2 0 37.46-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR~G 18 111.17 28.11 45.43 110.55 28.60 44.81 112.44 28.87 47.37 113.36 28.46 48.09 112.45 28.65 45.86 112.75 29.98 45.12 3 0 34.44-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~G 19 111.40 29.51 47.87 110.67 29.71 47.21 111.24 28.65 50.17 111.82 28.61 51.25 111.35 29.87 49.28 110.22 30.85 49.56 3 0 32.30-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~G 20 110.48 27.65 49.72 110.06 27.83 48.83 111.68 25.75 50.71 112.02 25.42 51.84 110.32 26.41 50.48 109.39 25.46 49.73 2 0 35.21-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~G 21 112.43 25.57 49.64 111.99 25.83 48.78 114.69 25.79 50.73 115.33 25.18 51.57 113.79 25.03 49.73 114.43 24.99 48.33 3 0 35.62-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL~G 22 114.72 27.12 50.63 114.11 27.48 49.93 115.10 27.94 52.97 115.90 27.79 53.89 115.57 27.95 51.51 115.67 29.41 51.01 3 0 31.92-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~G 23 113.79 28.12 53.14 113.29 28.26 52.28 113.33 26.77 55.19 113.63 26.76 56.39 113.14 28.10 54.45 111.64 28.39 54.30 2 0 31.59-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~G 24 113.15 25.67 54.46 113.04 25.84 53.48 114.49 23.65 55.15 114.72 22.84 56.05 113.13 24.33 55.08 112.15 23.41 54.35 2 0 34.96-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~G 25 115.39 23.94 54.21 115.09 24.62 53.54 117.89 24.25 54.10 118.81 24.19 54.92 116.71 23.29 54.20 116.79 22.31 53.05 2 0 35.31-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~G 26 117.86 25.10 53.08 116.99 25.11 52.59 119.53 26.83 53.84 120.74 26.82 54.10 118.99 25.96 52.73-999.99-999.99-999.99 1 0 32.80-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~G 27 118.67 27.60 54.49 117.70 27.39 54.32 119.80 28.11 56.65 120.72 28.73 57.18 119.14 28.66 55.38 118.01 29.67 55.75 3 0 29.51-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~G 28 119.35 26.94 57.11 118.58 26.56 56.59 121.39 25.83 58.00 122.25 25.94 58.88 119.94 26.29 58.28 119.10 25.12 58.74 2 0 31.23-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~G 29 121.64 25.32 56.79 120.82 25.19 56.23 123.83 26.26 56.25 124.92 26.32 56.81 122.99 24.99 56.35 123.00 24.31 54.94 3 0 32.65-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~G 30 123.30 27.26 55.54 122.33 27.13 55.38 124.37 29.54 56.10 125.49 30.04 56.17 124.06 28.43 55.06 123.26 29.03 53.90 2 0 29.58-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~G 31 123.37 29.92 56.89 122.54 29.37 56.77 124.56 30.88 58.94 125.22 31.86 59.31 123.49 31.03 57.85 122.12 31.34 58.49 2 0 26.45-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO~G 32 124.69 29.66 59.51 124.02 28.97 59.25 127.15 29.63 59.81 127.98 30.38 60.33 125.78 29.43 60.45 125.60 27.98 60.85 3 0 27.89-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~G 33 127.36 28.99 58.66 126.56 28.49 58.31 129.08 30.44 57.51 130.24 30.82 57.65 128.65 29.02 57.98 128.66 28.04 56.81 3 0 28.98-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~G 34 128.14 31.20 56.98 127.24 30.78 56.93 128.43 33.54 57.69 129.17 34.53 57.68 128.43 32.56 56.51 127.44 32.98 55.40 3 0 25.79-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~G 35 127.57 33.28 58.67 126.84 32.65 58.42 126.82 35.09 60.29 126.44 35.31 61.44 127.69 33.89 59.99-999.99-999.99-999.99 1 0 23.81-999 ?-999 ?-999 ? O2 PO4 G 105 mASN.G 36 126.49 35.89 59.31 126.76 35.60 58.39 124.75 37.48 58.54 124.97 38.39 57.76 125.77 37.12 59.62 126.79 38.23 59.89 2 0 20.36-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^G 37 123.64 36.75 58.53 123.66 35.97 59.15 121.83 38.37 58.14 121.36 38.46 59.26 122.49 37.08 57.68 121.45 35.95 57.69 3 0 20.54-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^G 38 121.80 39.37 57.27 122.20 39.15 56.38 119.75 40.65 57.30 118.93 41.01 58.13 121.23 40.66 57.61 121.89 41.81 56.79 3 0 17.16-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY^G 39 119.41 40.24 56.07 120.19 39.98 55.50 117.79 39.29 54.43 118.71 38.94 53.72 118.02 40.21 55.62-999.99-999.99-999.99 1 0 18.80-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^G 40 116.54 38.89 54.22 115.89 39.22 54.91 114.77 38.51 52.58 113.79 38.50 53.32 116.16 38.07 53.08 116.17 36.60 53.51 3 0 22.17-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE^G 41 114.69 38.95 51.33 115.49 38.73 50.76 113.04 39.18 49.52 113.83 38.72 48.72 113.52 39.67 50.85 113.84 41.16 50.67 3 0 22.69-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^G 42 111.73 39.31 49.29 111.20 39.56 50.10 110.59 40.44 47.54 109.97 41.11 48.34 111.14 39.10 47.97 109.99 38.07 48.00 3 0 25.45-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR^G 43 110.83 40.84 46.30 111.35 40.19 45.75 108.85 42.10 45.44 108.42 41.23 44.70 110.34 42.14 45.81 111.17 42.64 44.62 2 0 24.91-999 ?-999 ?-999 ? O1 PO4 G 105 mASP^G 44 108.10 43.07 45.96 108.61 43.70 46.54 106.40 44.33 44.68 105.46 44.22 43.88 106.68 43.23 45.71 106.00 43.61 47.01 2 0 26.08-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^G 45 107.17 45.42 44.73 107.79 45.45 45.51 108.48 46.76 43.23 109.35 47.10 44.02 107.08 46.46 43.72 106.40 47.76 44.21 3 0 25.50-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY.G 46 108.70 46.60 41.92 107.88 46.33 41.42 110.28 45.74 40.26 109.37 45.29 39.56 110.00 46.82 41.30-999.99-999.99-999.99 1 0 25.76-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO.G 47 111.54 45.30 40.14 112.25 45.84 40.60 111.15 42.86 40.07 111.42 42.63 41.24 111.77 44.08 39.35 113.32 43.96 39.26 3 0 27.96-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU.G 48 110.34 42.09 39.37 110.32 42.28 38.38 110.15 39.67 39.83 111.07 39.47 39.06 109.55 41.05 40.00 108.12 41.10 39.48 3 0 29.88-999 ?-999 ?-999 ? O1 PO4 G 105 mSER.G 49 109.63 38.72 40.61 108.81 39.01 41.09 111.71 37.54 41.12 112.57 36.88 40.56 110.23 37.38 40.73 110.06 36.59 39.43 2 0 31.40-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN^G 50 111.95 38.44 42.09 111.11 38.81 42.49 113.45 38.55 44.02 112.62 38.92 44.85 113.28 38.86 42.52 113.52 40.36 42.23 2 0 28.28-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^G 51 114.53 37.85 44.34 115.05 37.52 43.56 116.17 38.37 46.03 117.11 38.37 45.22 114.89 37.59 45.71 115.14 36.11 45.93 3 0 26.76-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^G 52 116.19 39.03 47.19 115.33 39.00 47.70 117.79 39.20 49.03 116.94 39.08 49.92 117.39 39.72 47.65 117.18 41.25 47.72 3 0 23.32-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS^G 53 119.07 38.89 49.20 119.61 38.87 48.35 120.92 39.34 50.83 121.72 39.60 49.94 119.62 38.62 50.54 119.73 37.11 50.87 3 0 22.10-999 ?-999 ?-999 ? O2 PO4 G 105 mMETG 54 121.08 39.68 52.11 120.33 39.42 52.71 123.02 39.66 53.67 122.42 39.10 54.60 122.26 40.39 52.57 121.88 41.76 53.06 2 0 19.29-999 ?-999 ?-999 ? O2 PO4 G 105 mTRP^G 55 124.35 39.72 53.54 124.65 40.27 52.77 126.36 39.99 54.88 127.03 40.61 54.05 125.27 39.04 54.44 125.92 37.85 53.74 3 0 19.79-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY^G 56 126.54 40.11 56.19 125.88 39.59 56.73 128.87 40.10 56.99 128.83 38.91 57.37 127.61 40.92 56.77-999.99-999.99-999.99 1 0 17.69-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^G 57 130.00 40.74 56.72 129.88 41.67 56.36 132.28 41.18 57.48 132.12 42.38 57.24 131.30 40.13 56.93 131.86 39.56 55.63 3 0 19.63-999 ?-999 ?-999 ? O2 PO4 G 105 mALA.G 58 133.29 40.72 58.19 133.25 39.73 58.35 135.35 42.00 57.60 135.85 43.12 57.63 134.36 41.59 58.70 135.10 40.88 59.82 2 0 19.57-999 ?-999 ?-999 ? O2 PO4 G 105 mSER~G 59 135.64 41.09 56.67 135.15 40.22 56.79 136.24 40.48 54.34 135.49 39.49 54.46 136.58 41.34 55.56 138.02 41.03 55.97 2 0 21.85-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~G 60 136.79 40.86 53.18 137.40 41.65 53.25 137.20 38.79 51.92 136.72 37.84 51.28 136.51 40.14 51.93 136.92 40.93 50.68 3 0 24.00-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~G 61 138.33 38.73 52.62 138.64 39.61 52.99 138.21 36.53 53.67 137.97 35.38 53.30 139.05 37.47 52.81 140.43 37.72 53.44 2 0 27.05-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~G 62 137.78 37.04 54.83 138.09 37.97 55.01 135.63 35.86 54.99 135.15 34.74 55.19 136.90 36.29 55.72 136.56 37.12 56.96 2 0 25.87-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~G 63 135.09 36.72 54.13 135.48 37.64 54.16 134.46 35.13 52.36 133.71 34.17 52.20 134.02 36.31 53.23 133.56 37.45 52.32 2 0 25.19-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~G 64 135.66 35.24 51.79 136.16 36.06 52.06 136.42 32.88 51.57 136.27 31.83 50.95 136.18 34.22 50.87 137.46 34.73 50.22 2 0 28.73-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~G 65 136.80 32.95 52.84 136.95 33.88 53.17 135.65 31.06 53.94 135.50 29.87 53.73 136.99 31.75 53.66 137.72 32.09 54.97 2 0 30.21-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~G 66 134.68 31.84 54.41 134.94 32.80 54.50 132.57 30.78 53.56 131.82 29.82 53.69 133.35 31.30 54.76 132.53 32.36 55.48 2 0 28.79-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~G 67 132.76 31.41 52.40 133.36 32.21 52.45 132.83 29.70 50.65 132.23 28.86 49.94 132.12 30.95 51.16 132.18 32.02 50.08 2 0 29.82-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY~G 68 134.11 29.58 51.00 134.47 30.37 51.49 134.42 27.19 51.49 134.21 26.11 50.93 134.89 28.39 50.69-999.99-999.99-999.99 1 0 33.14-999 ?-999 ?-999 ? O2 PO4 G 105 mLYS~G 69 134.27 27.38 52.81 134.61 28.27 53.12 132.25 26.04 53.24 131.88 24.87 53.20 133.66 26.39 53.70 133.61 26.89 55.15 2 0 33.62-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~G 70 131.46 27.06 52.90 131.89 27.96 52.98 130.08 25.93 51.22 129.38 24.93 51.19 130.09 26.84 52.44 129.36 28.15 52.13 3 0 32.59-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~G 71 130.87 26.31 50.22 131.34 27.17 50.39 131.40 24.05 49.25 130.87 23.13 48.62 131.01 25.51 48.99 132.04 26.17 48.06 2 0 35.17-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU~G 72 132.32 23.84 50.19 132.61 24.67 50.68 131.84 21.65 51.24 131.87 20.43 51.11 132.84 22.52 50.48 134.15 22.62 51.26 2 0 37.83-999 ?-999 ?-999 ? O2 PO4 G 105 mASP~G 73 130.98 22.28 52.04 131.05 23.28 52.01 129.15 20.62 52.02 128.51 21.05 51.08 130.01 21.56 52.87 129.14 22.55 53.63 2 0 37.42-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~G 74 129.15 19.34 52.40 129.63 19.18 53.26 126.96 18.40 51.55 126.36 18.01 50.54 128.50 18.29 51.62 128.91 16.92 52.19 2 0 40.61-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~G 75 126.33 18.90 52.61 126.94 19.15 53.37 124.51 20.16 51.65 123.46 20.10 51.00 124.88 19.07 52.63 124.35 19.46 54.02 2 0 39.28-999 ?-999 ?-999 ? O2 PO4 G 105 mTRP~G 76 125.38 21.17 51.58 126.17 21.07 52.19 125.37 21.90 49.22 124.62 22.37 48.36 125.21 22.30 50.69 126.21 23.40 51.05 3 0 36.73-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN~G 77 126.35 21.03 48.96 126.91 20.80 49.76 125.39 19.69 47.11 125.14 19.67 45.92 126.58 20.48 47.62 127.82 19.60 47.61 2 0 39.58-999 ?-999 ?-999 ? O2 PO4 G 105 mALA~G 78 124.68 19.05 48.02 125.03 19.12 48.96 122.30 19.26 47.49 121.44 19.05 46.65 123.48 18.30 47.66 123.17 17.23 48.72 2 0 41.44-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE~G 79 122.27 20.32 48.29 123.05 20.38 48.91 121.19 22.20 47.00 120.16 22.39 46.35 121.17 21.28 48.23 121.18 22.16 49.49 3 0 38.49-999 ?-999 ?-999 ? O2 PO4 G 105 mILE~G 80 122.38 22.76 46.71 123.16 22.32 47.15 122.08 23.64 44.34 121.50 24.52 43.70 122.49 23.92 45.80 123.90 24.64 45.92 3 0 37.01-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO~G 81 122.36 22.43 43.81 122.91 21.81 44.37 120.32 22.20 42.37 119.80 22.59 41.32 121.84 22.11 42.48 122.27 20.64 42.27 3 0 40.17-999 ?-999 ?-999 ? O2 PO4 G 105 mARG~G 82 119.62 21.87 43.46 120.17 21.58 44.23 117.64 23.36 43.50 116.59 23.66 42.93 118.16 21.94 43.46 117.60 21.15 44.63 2 0 40.12-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU~G 83 118.36 24.25 44.18 119.15 23.88 44.65 118.33 26.28 42.85 117.51 26.98 42.25 117.97 25.65 44.20 118.67 26.39 45.35 3 0 36.57-999 ?-999 ?-999 ? O2 PO4 G 105 mSER~G 84 119.54 25.98 42.37 120.02 25.28 42.90 119.27 26.46 39.89 119.24 27.34 39.02 120.09 26.63 41.18 121.53 26.16 40.96 2 0 37.11-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL~G 85 118.61 25.31 39.78 118.73 24.68 40.54 116.62 26.05 38.49 116.13 26.30 37.39 117.78 25.04 38.62 117.31 23.57 38.63 3 0 40.12-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.G 86 116.23 26.67 39.61 116.75 26.41 40.41 115.60 29.10 39.43 114.79 30.01 39.32 115.13 27.65 39.64 114.40 27.58 40.98 3 0 37.90-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^G 87 116.90 29.33 39.37 117.47 28.51 39.40 117.66 31.03 37.80 118.36 30.33 37.10 117.42 30.67 39.27 118.72 30.80 40.08 3 0 35.40-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^G 88 117.05 32.12 37.34 116.52 32.63 38.02 118.42 33.40 35.79 119.16 33.27 34.81 117.17 32.52 35.96 115.90 33.24 35.49 2 0 36.39-999 ?-999 ?-999 ? O2 PO4 G 105 mSER^G 89 118.66 34.28 36.75 117.94 34.38 37.43 120.27 35.46 38.20 119.43 35.46 39.10 119.89 35.04 36.77 119.80 36.26 35.83 2 0 33.77-999 ?-999 ?-999 ? O2 PO4 G 105 mSER^G 90 121.55 35.78 38.38 122.11 35.67 37.56 123.17 37.33 39.49 123.82 37.47 38.44 122.08 36.27 39.65 122.62 35.10 40.46 2 0 30.68-999 ?-999 ?-999 ? O2 PO4 G 105 mGLU^G 91 123.38 38.08 40.56 122.77 37.88 41.32 124.64 39.54 42.07 123.73 39.50 42.92 124.40 39.11 40.62 123.99 40.32 39.79 2 0 28.09-999 ?-999 ?-999 ? O2 PO4 G 105 mASN^G 92 125.87 39.95 42.36 126.53 39.90 41.61 126.99 41.68 43.60 127.51 42.03 42.53 126.18 40.42 43.68 126.86 39.33 44.51 2 0 25.09-999 ?-999 ?-999 ? O2 PO4 G 105 mARG^G 93 127.05 42.38 44.73 126.46 42.03 45.46 128.31 43.71 46.35 127.66 43.21 47.26 127.89 43.55 44.90 127.17 44.81 44.42 2 0 22.48-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^G 94 129.41 44.41 46.56 129.84 44.76 45.73 129.61 46.07 48.24 129.93 46.99 47.47 129.94 44.64 47.89 131.46 44.43 47.92 3 0 20.18-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^G 95 128.96 46.24 49.39 128.77 45.39 49.89 129.37 47.92 51.12 129.67 47.05 51.97 128.55 47.53 49.88 127.06 47.50 50.20 3 0 16.53-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU^G 96 129.75 49.19 51.21 129.50 49.75 50.42 129.52 50.68 53.09 129.22 51.74 52.57 130.46 49.72 52.37 131.71 50.50 51.96 3 0 14.35-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO^G 97 129.05 50.30 54.30 129.33 49.39 54.61 128.84 52.56 55.27 130.06 52.64 55.45 128.20 51.19 55.08 128.10 50.47 56.42 3 0 10.60-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR.G 98 128.04 53.62 55.24 127.09 53.45 54.98 128.85 54.96 57.07 128.34 54.13 57.82 128.60 54.93 55.57 127.69 56.09 55.21 2 0 8.91-999 ?-999 ?-999 ? O2 PO4 G 105 mASP.G 99 129.66 55.92 57.49 130.01 56.53 56.78 128.77 56.44 59.72 128.82 56.36 60.94 130.00 56.04 58.89 131.18 57.02 59.08 2 0 7.81-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE.G 100 127.69 56.85 59.04 127.83 56.89 58.05 125.26 56.24 59.35 124.10 56.55 59.61 126.41 57.21 59.68 126.00 58.64 59.29 3 0 -4.22-999 ?-999 ?-999 ? O2 PO4 G 105s mSER.G 101 125.56 55.09 58.76 126.51 55.01 58.46 124.37 53.34 59.91 125.33 52.89 60.49 124.57 54.06 58.58 125.04 53.05 57.56 2 0 4.96-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.G 102 123.13 53.24 60.39 122.42 53.72 59.88 123.46 51.04 61.53 123.99 50.55 62.51 122.89 52.46 61.61 121.37 52.42 61.70 3 0 4.70-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.G 103 123.33 50.40 60.37 122.77 50.88 59.70 125.36 49.41 59.53 125.50 49.93 58.40 123.97 49.12 60.11 123.13 48.31 59.13 3 0 8.32-999 ?-999 ?-999 ? O2 PO4 G 105 mARG.G 104 126.38 49.12 60.33 126.11 48.65 61.18 128.63 48.73 60.97 128.13 48.03 61.83 127.75 49.44 59.99 128.00 50.96 60.05 2 0 9.29-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS.H 0 104.24 42.23 58.08 104.40 41.33 57.69 104.91 44.63 58.00 104.53 45.26 57.00 104.00 43.59 58.66 104.20 43.57 60.19 3 0 22.47-999 ?-999 ?-999 ? O1 PO4 G 105 mMETH 1 106.12 44.80 58.54 106.32 44.17 59.29 107.48 45.62 56.61 107.79 44.50 56.20 107.06 45.82 58.07 108.33 45.83 58.93 2 0 18.85-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^H 2 107.53 46.71 55.86 107.17 47.53 56.30 109.40 47.43 54.43 109.67 48.31 55.24 108.08 46.67 54.51 107.04 47.14 53.44 3 0 18.62-999 ?-999 ?-999 ? O1 PO4 G 105 mVAL^H 3 110.24 47.05 53.47 109.91 46.28 52.92 111.49 48.41 51.91 111.08 47.84 50.90 111.51 47.70 53.26 112.71 46.69 53.37 3 0 16.38-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^H 4 111.94 49.66 51.91 112.06 50.07 52.82 113.71 50.46 50.42 114.45 50.99 51.26 112.22 50.36 50.68 111.62 51.74 50.72 2 0 16.03-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^H 5 114.14 49.96 49.25 113.43 49.50 48.72 115.59 51.20 47.73 114.97 51.10 46.67 115.50 50.09 48.79 116.01 48.77 48.23 2 0 16.17-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^H 6 116.32 52.27 48.05 116.65 52.27 48.99 118.03 53.23 46.59 118.95 53.09 47.38 116.59 53.33 47.09 116.32 54.68 47.73 2 0 15.99-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^H 7 118.20 53.30 45.27 117.37 53.51 44.76 119.78 54.23 43.70 119.06 54.43 42.73 119.50 53.07 44.64 119.48 51.74 43.85 3 0 17.89-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^H 8 120.81 55.02 44.01 121.32 54.72 44.82 122.48 56.06 42.51 123.39 55.42 43.05 121.14 56.21 43.21 121.23 57.48 44.08 3 0 18.63-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^H 9 122.61 56.63 41.32 121.74 56.92 40.90 124.27 58.30 40.83 123.49 59.21 40.55 123.90 56.81 40.69 123.91 56.33 39.23 2 0 21.30-999 ?-999 ?-999 ? O4 PO4 G 105 mILE^H 10 125.47 58.52 41.32 125.99 57.68 41.47 126.87 60.23 40.43 127.64 59.38 39.92 125.99 59.84 41.60 126.85 59.82 42.90 3 0 20.42-999 ?-999 ?-999 ? O4 PO4 G 105 mARG.H 11 126.75 61.49 40.01 126.03 62.01 40.46 129.09 61.79 39.33 129.48 61.88 40.48 127.61 62.04 38.97 127.33 63.55 38.77 2 0 23.43-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY.H 12 129.89 61.44 38.33 129.42 61.40 37.45 132.08 62.27 39.23 131.99 63.43 38.85 131.32 61.16 38.52-999.99-999.99-999.99 1 0 24.81-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY.H 13 132.80 61.90 40.29 132.74 60.92 40.50 132.85 63.55 42.17 133.44 64.36 42.85 133.59 62.83 41.06-999.99-999.99-999.99 1 0 23.56-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~H 14 131.56 63.27 42.34 131.22 62.53 41.76 130.35 63.17 44.55 129.64 63.67 45.42 130.73 63.99 43.31 129.46 64.50 42.63 2 0 20.55-999 ?-999 ?-999 ? O4 PO4 G 105 mMETH 15 130.83 61.92 44.65 131.44 61.65 43.91 130.75 61.67 47.12 129.85 61.75 47.95 130.48 61.05 45.76 131.23 59.72 45.67 2 0 17.81-999 ?-999 ?-999 ? O4 PO4 G 105 mGLN~H 16 131.98 62.12 47.33 132.59 62.00 46.54 131.56 63.94 48.98 131.23 64.14 50.14 132.39 62.73 48.61 133.87 63.11 48.60 2 0 16.57-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~H 17 131.24 64.76 47.99 131.61 64.49 47.10 128.98 65.51 48.58 128.35 66.14 49.44 130.42 65.93 48.19 130.44 66.76 46.91 2 0 16.80-999 ?-999 ?-999 ? O4 PO4 G 105 mTYR~H 18 128.48 64.45 47.93 129.09 64.07 47.23 127.05 63.43 49.66 126.05 63.63 50.32 127.15 63.92 48.22 126.81 62.77 47.24 3 0 14.87-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~H 19 128.08 62.76 50.15 128.86 62.69 49.52 128.25 63.25 52.54 127.66 63.17 53.64 128.06 62.18 51.49 129.16 61.15 51.64 3 0 11.82-999 ?-999 ?-999 ? O4 PO4 G 105 mLYS~H 20 129.09 64.24 52.22 129.55 64.12 51.34 127.96 66.08 53.34 127.60 66.31 54.49 129.29 65.37 53.10 130.33 66.35 52.51 2 0 12.26-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~H 21 127.22 66.37 52.27 127.67 66.17 51.40 124.91 66.13 53.28 124.29 66.66 54.19 125.87 66.96 52.40 125.23 67.21 51.01 3 0 12.30-999 ?-999 ?-999 ? O4 PO4 G 105 mVAL~H 22 124.82 64.84 53.00 125.42 64.56 52.25 124.35 63.73 55.18 123.51 63.75 56.08 123.93 63.94 53.72 123.86 62.56 53.00 3 0 9.22-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~H 23 125.65 63.52 55.40 126.20 63.49 54.57 125.92 64.55 57.63 125.52 64.41 58.78 126.20 63.35 56.74 127.73 63.11 56.66 2 0 7.12-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~H 24 126.12 65.75 57.09 126.23 65.75 56.10 124.88 67.72 57.97 124.71 68.52 58.87 126.18 66.95 57.92 127.33 67.84 57.44 2 0 8.95-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU~H 25 123.96 67.46 57.05 124.20 66.71 56.44 121.46 67.41 56.64 120.42 67.55 57.27 122.70 68.25 56.98 122.86 69.36 55.94 2 0 9.88-999 ?-999 ?-999 ? O4 PO4 G 105 mGLY~H 26 121.59 66.56 55.64 122.53 66.47 55.30 119.85 64.79 56.03 118.65 64.81 56.30 120.44 65.82 55.09-999.99-999.99-999.99 1 0 9.43-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~H 27 120.69 63.90 56.54 121.65 64.09 56.35 119.57 63.15 58.64 118.75 62.39 59.17 120.21 62.75 57.30 121.33 61.69 57.50 3 0 6.07-999 ?-999 ?-999 ? O4 PO4 G 105 mALA~H 28 119.91 64.32 59.17 120.59 64.84 58.63 117.92 65.31 60.22 117.11 65.32 61.14 119.32 64.79 60.44 120.18 65.87 61.08 2 0 6.40-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~H 29 117.64 65.76 58.99 118.44 65.82 58.39 115.51 64.88 58.21 114.44 64.62 58.73 116.29 66.14 58.59 116.30 67.07 57.34 3 0 9.64-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~H 30 116.08 64.13 57.28 117.01 64.42 57.05 115.04 61.86 57.61 113.89 61.42 57.62 115.42 62.99 56.65 116.33 62.44 55.55 2 0 8.80-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~H 31 115.98 61.41 58.43 116.81 61.97 58.46 114.76 60.26 60.35 114.06 59.28 60.60 115.80 60.19 59.23 117.15 59.70 59.78 2 0 5.92-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO~H 32 114.68 61.39 61.06 115.40 62.07 60.92 112.14 61.48 61.36 111.21 60.94 61.94 113.54 61.53 61.99 113.80 62.90 62.62 3 0 7.97-999 ?-999 ?-999 ? O1 PO4 G 105 mILE~H 33 112.00 62.06 60.17 112.85 62.41 59.78 110.30 60.81 58.90 109.13 60.43 58.97 110.71 62.16 59.52 110.71 63.30 58.46 3 0 11.05-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~H 34 111.26 60.10 58.32 112.16 60.53 58.33 110.91 57.70 58.76 110.18 56.71 58.57 110.97 58.80 57.72 111.97 58.47 56.60 3 0 10.62-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~H 35 111.67 57.85 59.85 112.34 58.59 59.78 112.42 55.77 61.19 112.78 55.41 62.30 111.52 56.99 61.03-999.99-999.99-999.99 1 0 9.37-999 ?-999 ?-999 ? O1 PO4 G 105 mASN.H 36 112.80 55.10 60.11 112.54 55.52 59.24 114.57 53.64 59.13 114.39 52.81 58.23 113.55 53.86 60.25 112.56 52.70 60.39 2 0 8.57-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^H 37 115.67 54.39 59.19 115.64 55.11 59.88 117.42 52.81 58.73 117.82 52.65 59.86 116.81 54.14 58.31 117.84 55.26 58.42 3 0 6.64-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^H 38 117.42 51.85 57.82 116.97 52.10 56.96 119.53 50.65 57.81 120.35 50.10 58.55 118.03 50.55 58.07 117.47 49.45 57.11 3 0 8.93-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^H 39 119.88 51.31 56.71 119.14 51.78 56.24 121.56 52.20 55.09 120.69 52.47 54.27 121.27 51.30 56.27-999.99-999.99-999.99 1 0 8.44-999 ?-999 ?-999 ? O2 PO4 G 105 mTYR^H 40 122.79 52.65 55.02 123.40 52.27 55.71 124.59 53.13 53.54 125.50 52.97 54.36 123.22 53.62 54.01 123.28 55.03 54.62 3 0 8.84-999 ?-999 ?-999 ? O2 PO4 G 105 mPHE^H 41 124.72 52.84 52.25 123.94 53.12 51.68 126.47 52.87 50.50 125.73 53.49 49.75 125.91 52.18 51.74 125.61 50.71 51.36 3 0 11.87-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^H 42 127.78 52.73 50.29 128.29 52.38 51.07 128.94 51.77 48.38 129.57 50.97 49.05 128.39 53.05 49.01 129.50 54.09 49.16 3 0 14.76-999 ?-999 ?-999 ? O2 PO4 G 105 mTHR^H 43 128.73 51.60 47.08 128.27 52.36 46.62 130.66 50.41 46.12 131.15 51.40 45.56 129.16 50.36 46.41 128.36 50.12 45.10 2 0 18.19-999 ?-999 ?-999 ? O2 PO4 G 105 mASP^H 44 131.37 49.35 46.53 130.82 48.65 46.99 133.12 48.28 45.16 134.12 48.47 44.47 132.81 49.22 46.32 133.49 48.69 47.59 2 0 20.22-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^H 45 132.30 47.25 44.99 131.60 47.17 45.70 131.02 46.04 43.31 130.13 45.69 44.07 132.42 46.33 43.86 133.10 44.99 44.24 3 0 23.23-999 ?-999 ?-999 ? O2 PO4 G 105 mGLY.H 46 130.83 46.19 42.01 131.69 46.28 41.50 129.32 47.49 40.56 130.29 48.03 40.06 129.50 46.22 41.38-999.99-999.99-999.99 1 0 24.33-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.H 47 128.08 47.98 40.44 127.33 47.44 40.83 128.54 50.33 40.67 128.21 50.37 41.85 127.94 49.26 39.76 126.41 49.43 39.62 3 0 24.22-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.H 48 129.44 51.15 40.13 129.56 51.04 39.15 129.54 53.48 40.92 128.65 53.77 40.11 130.17 52.11 40.94 131.62 52.21 40.47 3 0 22.93-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.H 49 130.01 54.33 41.84 130.77 53.97 42.37 127.96 55.50 42.36 127.13 56.25 41.87 129.45 55.65 42.05 129.70 56.56 40.84 2 0 21.14-999 ?-999 ?-999 ? O2 PO4 G 105 mGLN^H 50 127.67 54.51 43.20 128.48 54.05 43.57 126.09 54.16 45.09 126.87 53.56 45.85 126.31 54.11 43.57 126.04 52.70 43.07 2 0 19.09-999 ?-999 ?-999 ? O2 PO4 G 105 mVAL^H 51 125.04 54.86 45.53 124.61 55.44 44.84 123.29 53.99 47.03 122.43 54.06 46.16 124.59 54.76 46.92 124.40 56.12 47.62 3 0 15.47-999 ?-999 ?-999 ? O2 PO4 G 105 mILE^H 52 123.17 53.28 48.15 123.96 53.32 48.75 121.56 52.85 49.89 122.36 52.82 50.83 121.99 52.51 48.46 122.27 51.01 48.28 3 0 14.45-999 ?-999 ?-999 ? O2 PO4 G 105 mHIS^H 53 120.30 53.23 50.04 119.81 53.38 49.18 118.39 52.69 51.49 117.59 52.64 50.54 119.71 53.42 51.35 119.58 54.90 51.78 3 0 11.48-999 ?-999 ?-999 ? O1 PO4 G 105 mMETH 54 118.23 52.07 52.67 118.99 52.19 53.30 116.28 51.88 54.14 116.84 52.21 55.19 117.05 51.28 53.00 117.42 49.86 53.37 2 0 11.75-999 ?-999 ?-999 ? O1 PO4 G 105 mTRP^H 55 114.97 51.98 53.92 114.68 51.61 53.04 113.03 51.53 55.27 112.51 50.81 54.42 114.06 52.56 54.89 113.41 53.81 54.31 3 0 11.13-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY^H 56 112.75 51.46 56.57 113.30 52.07 57.14 110.46 51.32 57.31 110.47 52.42 57.82 111.75 50.56 57.09-999.99-999.99-999.99 1 0 12.72-999 ?-999 ?-999 ? O1 PO4 G 105 mTYR^H 57 109.35 50.72 56.92 109.51 49.84 56.45 107.08 50.23 57.68 107.27 49.04 57.41 108.03 51.28 57.15 107.48 51.87 55.87 3 0 15.22-999 ?-999 ?-999 ? O1 PO4 G 105 mALA.H 58 106.07 50.66 58.43 106.09 51.65 58.61 104.14 49.31 57.81 103.67 48.17 57.79 105.05 49.76 58.94 104.25 50.44 60.03 2 0 18.08-999 ?-999 ?-999 ? O1 PO4 G 105 mSER~H 59 103.90 50.22 56.87 104.39 51.08 57.03 103.32 51.07 54.67 104.01 52.07 54.97 103.03 49.99 55.71 101.53 50.05 56.10 2 0 20.48-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~H 60 102.79 50.86 53.47 102.22 50.04 53.40 102.24 53.08 52.47 102.67 54.11 51.98 103.04 51.78 52.35 102.81 51.08 51.01 3 0 21.07-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~H 61 101.08 53.02 53.13 100.78 52.10 53.37 101.13 55.13 54.44 101.23 56.33 54.26 100.35 54.24 53.46 98.95 53.93 54.04 2 0 22.40-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~H 62 101.68 54.52 55.48 101.44 53.55 55.57 103.77 55.84 55.66 104.20 56.95 55.97 102.55 55.25 56.39 102.99 54.34 57.54 2 0 19.23-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~H 63 104.33 55.10 54.69 103.97 54.18 54.60 104.91 56.87 53.06 105.60 57.91 53.02 105.39 55.66 53.85 105.91 54.63 52.86 2 0 17.48-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~H 64 103.73 56.74 52.44 103.28 55.86 52.55 103.02 59.09 52.53 103.47 60.16 52.14 103.18 57.84 51.66 101.85 57.44 51.06 2 0 20.29-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~H 65 102.41 58.94 53.70 102.08 58.01 53.87 103.58 60.69 55.00 103.74 61.90 54.97 102.24 60.06 54.62 101.50 59.60 55.87 2 0 19.95-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~H 66 104.56 59.86 55.35 104.34 58.89 55.23 106.70 61.02 54.76 107.34 62.05 55.00 105.84 60.36 55.86 106.59 59.24 56.60 2 0 16.20-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~H 67 106.69 60.43 53.57 106.17 59.57 53.52 106.72 62.33 51.99 107.39 63.24 51.49 107.38 61.01 52.44 107.48 60.00 51.30 2 0 16.55-999 ?-999 ?-999 ? O1 PO4 G 105 mGLY~H 68 105.42 62.42 52.22 104.99 61.58 52.54 105.23 64.72 52.96 105.54 65.84 52.53 104.71 63.66 52.02-999.99-999.99-999.99 1 0 19.55-999 ?-999 ?-999 ? O1 PO4 G 105 mLYS~H 69 105.33 64.36 54.24 105.07 63.41 54.44 107.21 65.79 54.93 107.49 66.97 55.09 105.80 65.29 55.26 105.78 64.64 56.65 2 0 17.79-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU~H 70 108.07 64.89 54.45 107.68 63.97 54.36 109.50 66.23 52.96 110.14 67.29 53.08 109.45 65.22 54.10 110.23 63.95 53.71 3 0 15.36-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~H 71 108.81 65.91 51.87 108.39 65.00 51.91 108.18 68.20 51.11 108.62 69.19 50.51 108.67 66.81 50.72 107.74 66.21 49.68 2 0 18.49-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU~H 72 107.28 68.26 52.09 107.05 67.37 52.49 107.46 70.22 53.67 107.06 71.31 54.11 106.68 69.52 52.54 105.23 69.28 52.98 2 0 20.28-999 ?-999 ?-999 ? O1 PO4 G 105 mASP~H 73 108.57 69.62 54.11 108.78 68.78 53.61 110.27 71.26 54.68 110.91 71.09 53.64 109.38 70.15 55.21 110.24 69.01 55.80 2 0 17.75-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~H 74 110.31 72.40 55.38 109.83 72.35 56.26 112.55 73.42 54.85 113.25 73.87 53.91 111.02 73.60 54.88 110.61 74.87 55.66 2 0 19.47-999 ?-999 ?-999 ? O1 PO4 G 105 mARG~H 75 113.06 72.72 55.85 112.40 72.49 56.57 114.81 71.40 54.74 115.82 71.59 54.06 114.45 72.34 55.88 114.80 71.68 57.21 2 0 16.35-999 ?-999 ?-999 ? O4 PO4 G 105 mTRP~H 76 113.99 70.38 54.51 113.24 70.29 55.16 114.26 70.22 52.05 115.17 70.02 51.25 114.24 69.48 53.38 113.20 68.38 53.32 3 0 15.47-999 ?-999 ?-999 ? O1 PO4 G 105 mGLN~H 77 113.28 71.09 51.84 112.63 71.13 52.60 114.40 72.76 50.32 114.78 72.94 49.16 113.17 71.90 50.61 111.91 72.79 50.66 2 0 19.21-999 ?-999 ?-999 ? O1 PO4 G 105 mALA~H 78 115.03 73.30 51.37 114.57 73.15 52.24 117.47 73.15 50.91 118.46 73.58 50.32 116.28 74.06 51.21 116.57 74.92 52.46 2 0 19.06-999 ?-999 ?-999 ? O4 PO4 G 105 mPHE~H 79 117.39 71.88 51.32 116.49 71.63 51.69 118.54 70.21 49.92 119.57 70.17 49.23 118.52 70.96 51.24 118.46 69.95 52.38 3 0 16.08-999 ?-999 ?-999 ? O4 PO4 G 105 mILE~H 80 117.40 69.62 49.57 116.62 69.89 50.13 117.82 69.19 47.09 118.48 68.44 46.35 117.31 68.67 48.47 115.87 68.04 48.41 3 0 17.01-999 ?-999 ?-999 ? O4 PO4 G 105 mPRO~H 81 117.59 70.48 46.76 117.11 71.05 47.43 119.55 70.76 45.32 120.03 70.39 44.25 118.06 70.93 45.45 117.71 72.43 45.44 3 0 20.43-999 ?-999 ?-999 ? O4 PO4 G 105 mARG~H 82 120.28 71.02 46.41 119.73 71.28 47.21 122.24 69.49 46.33 123.31 69.25 45.81 121.74 70.92 46.42 122.33 71.59 47.65 2 0 19.11-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU~H 83 121.46 68.54 46.84 120.65 68.86 47.32 121.48 66.67 45.27 122.27 65.99 44.62 121.84 67.14 46.68 121.17 66.27 47.75 3 0 16.90-999 ?-999 ?-999 ? O4 PO4 G 105 mSER~H 84 120.29 67.05 44.80 119.82 67.69 45.40 120.65 66.83 42.30 120.78 66.00 41.40 119.75 66.57 43.51 118.39 67.23 43.26 2 0 19.79-999 ?-999 ?-999 ? O4 PO4 G 105 mVAL~H 85 121.28 68.00 42.29 121.05 68.60 43.06 123.36 67.31 41.13 123.99 67.18 40.08 122.21 68.35 41.24 122.75 69.80 41.43 3 0 22.32-999 ?-999 ?-999 ? O4 PO4 G 105 mLEU.H 86 123.62 66.54 42.20 123.04 66.73 42.99 124.19 64.11 41.76 125.00 63.19 41.60 124.68 65.52 42.17 125.35 65.44 43.54 3 0 20.56-999 ?-999 ?-999 ? O4 PO4 G 105 mILE^H 87 122.89 63.95 41.58 122.35 64.79 41.67 122.08 62.48 39.78 121.39 63.27 39.13 122.31 62.65 41.29 121.00 62.41 42.08 3 0 20.72-999 ?-999 ?-999 ? O4 PO4 G 105 mGLU^H 88 122.68 61.43 39.24 123.16 60.85 39.89 121.36 60.38 37.49 120.63 60.71 36.54 122.63 61.19 37.81 123.90 60.45 37.35 2 0 24.02-999 ?-999 ?-999 ? O4 PO4 G 105 mSER^H 89 121.08 59.36 38.29 121.79 59.13 38.95 119.45 57.95 39.48 120.30 57.77 40.35 119.81 58.64 38.17 119.88 57.62 37.02 2 0 23.58-999 ?-999 ?-999 ? O1 PO4 G 105 mSER^H 90 118.19 57.54 39.60 117.63 57.69 38.79 116.61 55.94 40.57 115.95 56.00 39.56 117.71 56.95 40.84 117.19 58.04 41.79 2 0 21.15-999 ?-999 ?-999 ? O1 PO4 G 105 mGLU^H 91 116.45 54.98 41.48 117.10 54.99 42.24 115.05 53.47 42.74 115.86 53.60 43.66 115.38 54.01 41.36 115.78 52.88 40.41 2 0 21.49-999 ?-999 ?-999 ? O1 PO4 G 105 mASN^H 92 113.87 52.87 42.87 113.27 52.91 42.07 112.63 50.98 43.94 112.17 50.66 42.85 113.52 52.21 44.11 112.88 53.20 45.07 2 0 19.98-999 ?-999 ?-999 ? O1 PO4 G 105 mARG^H 93 112.45 50.27 45.03 112.92 50.63 45.83 111.22 48.78 46.44 111.86 49.22 47.38 111.64 49.08 45.03 112.42 47.90 44.48 2 0 21.11-999 ?-999 ?-999 ? O1 PO4 G 105 mILE^H 94 110.11 48.05 46.56 109.66 47.83 45.70 109.96 46.15 48.02 109.64 45.32 47.16 109.61 47.61 47.85 108.11 47.80 47.99 3 0 20.73-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^H 95 110.62 45.85 49.14 110.82 46.65 49.71 110.21 44.04 50.72 110.01 44.78 51.69 111.03 44.51 49.51 112.50 44.49 49.88 3 0 20.79-999 ?-999 ?-999 ? O1 PO4 G 105 mLEU^H 96 109.76 42.79 50.64 109.98 42.33 49.77 109.95 41.10 52.30 110.32 40.15 51.63 109.04 42.14 51.69 107.79 41.45 51.14 3 0 22.30-999 ?-999 ?-999 ? O1 PO4 G 105 mPRO^H 97 110.32 41.29 53.58 110.01 42.15 54.00 110.39 38.96 54.37 109.18 38.92 54.66 111.10 40.29 54.28 111.24 40.87 55.69 3 0 21.68-999 ?-999 ?-999 ? O1 PO4 G 105 mTHR.H 98 111.15 37.89 54.14 112.07 38.08 53.81 110.49 36.31 55.88 111.03 37.05 56.71 110.64 36.56 54.38 111.57 35.47 53.80 2 0 25.02-999 ?-999 ?-999 ? O1 PO4 G 105 mASP.H 99 109.80 35.22 56.21 109.42 34.73 55.43 110.89 34.22 58.25 110.88 33.90 59.44 109.62 34.81 57.61 108.46 33.81 57.74 2 0 26.25-999 ?-999 ?-999 ? O1 PO4 G 105 mPHE.H 100 111.96 34.07 57.48 111.80 34.28 56.51 114.31 34.75 57.88 115.51 34.50 58.09 113.26 33.64 58.01 113.74 32.32 57.34 3 0 25.75-999 ?-999 ?-999 ? O2 PO4 G 105 mSER.H 101 113.87 35.97 57.54 112.90 36.00 57.29 114.93 37.62 58.99 113.95 37.85 59.67 114.76 37.14 57.55 114.18 38.27 56.69 2 0 22.10-999 ?-999 ?-999 ? O2 PO4 G 105 mPRO.H 102 116.17 37.75 59.47 116.92 37.46 58.88 115.72 39.71 60.90 115.21 40.10 61.96 116.31 38.30 60.83 117.83 38.32 61.06 3 0 20.02-999 ?-999 ?-999 ? O2 PO4 G 105 mLEU.H 103 115.83 40.46 59.80 116.35 40.01 59.07 113.86 41.68 59.02 113.72 41.27 57.86 115.25 41.80 59.67 116.16 42.67 58.81 3 0 17.35-999 ?-999 ?-999 ? O2 PO4 G 105 mARG.H 104 112.82 42.04 59.77 113.03 42.70 60.49 110.51 42.20 60.45 109.28 42.00 60.41 111.49 41.50 59.51 111.57 39.98 59.78 2 0 19.25-999 ?-999 ?-999 ? O1 PO4 G 105