REMARK SOURCE hebe.pdb 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 >MET?A 1 147.48 43.91 18.38 147.99 41.45 21.91 147.74 42.68 20.15 2 0 49.89 -999 ? O2 PO4 G 105 >ILE^A 2 142.73 43.77 17.81 142.19 43.31 17.14 142.46 43.54 17.47 3 0 50.57 -999 ? O2 PO4 G 105 >VAL^A 3 141.89 41.98 21.83 142.66 42.10 23.86 142.28 42.04 22.84 3 0 46.29 -999 ? O2 PO4 G 105 >GLU^A 4 136.65 38.88 20.48 136.12 37.23 19.24 136.38 38.06 19.86 2 0 49.07 -999 ? O2 PO4 G 105 >GLU^A 5 135.92 40.68 27.29 135.87 42.27 28.66 135.89 41.47 27.98 2 0 38.81 -999 ? O2 PO4 G 105 >ARG^A 6 134.72 34.95 22.00 132.42 34.52 19.97 133.57 34.74 20.98 2 0 48.76 -999 ? O2 PO4 G 105 >ILE^A 7 130.95 38.80 28.20 131.05 39.97 28.60 131.00 39.39 28.40 3 0 38.94 -999 ? O2 PO4 G 105 >TYR^A 8 130.04 32.89 26.67 131.38 32.46 24.26 130.71 32.67 25.46 3 0 44.74 -999 ? O2 PO4 G 105 >ILE^A 10 126.98 29.76 32.44 127.48 29.05 31.37 127.23 29.40 31.90 3 0 41.23 -999 ? O2 PO4 G 105 >GLY.A 12 121.85 28.48 36.37 121.91 27.87 35.80 121.88 28.18 36.09 1 0 38.54 -999 ? O2 PO4 G 105 >GLY.A 13 123.43 25.34 37.85 123.73 25.68 37.19 123.58 25.51 37.52 1 0 40.00 -999 ? O2 PO4 G 105 >LYS~A 14 125.45 24.59 34.68 122.10 20.66 33.33 123.78 22.62 34.00 2 0 46.48 -999 ? O2 PO4 G 105 >MET?A 15 128.76 26.41 35.44 130.58 29.09 34.70 129.67 27.75 35.07 2 0 39.95 -999 ? O2 PO4 G 105 >GLN~A 16 130.90 23.39 39.13 132.64 24.70 39.12 131.77 24.05 39.13 2 0 40.92 -999 ? O2 PO4 G 105 >GLU~A 17 127.64 20.36 32.08 125.60 19.70 32.15 126.62 20.03 32.11 2 0 48.02 -999 ? O2 PO4 G 105 >TYR~A 18 130.65 26.72 30.34 131.90 28.44 28.48 131.28 27.58 29.41 3 0 44.86 -999 ? O2 PO4 G 105 >LEU~A 19 134.41 25.09 34.09 134.52 27.23 34.55 134.46 26.16 34.32 3 0 43.18 -999 ? O2 PO4 G 105 >LYS~A 20 134.65 20.81 32.50 133.60 15.44 34.99 134.13 18.12 33.75 2 0 50.87 -999 ? O2 PO4 G 105 >LEU~A 21 132.48 21.04 28.15 130.70 19.85 27.73 131.59 20.45 27.94 3 0 50.88 -999 ? O2 PO4 G 105 >VAL~A 22 136.15 23.61 28.05 135.87 25.82 27.96 136.01 24.71 28.00 3 0 48.84 -999 ? O2 PO4 G 105 >ARG~A 23 139.80 21.37 34.09 137.58 23.00 35.50 138.69 22.19 34.80 2 0 45.68 -999 ? O2 PO4 G 105 >GLU~A 24 138.03 17.93 31.44 137.04 16.41 32.51 137.54 17.17 31.97 2 0 52.28 -999 ? O2 PO4 G 105 >GLU~A 25 136.34 17.21 25.58 134.42 16.62 24.92 135.38 16.91 25.25 2 0 56.18 -999 ? O2 PO4 G 105 >GLY~A 26 137.22 22.64 24.16 137.92 22.44 24.47 137.57 22.54 24.31 1 0 53.24 -999 ? O2 PO4 G 105 >ILE~A 27 140.66 25.19 26.42 140.90 25.94 26.49 140.78 25.57 26.46 3 0 50.85 -999 ? O2 PO4 G 105 >ALA~A 28 142.76 22.05 23.61 142.78 20.61 24.03 142.77 21.33 23.82 2 0 56.37 -999 ? O2 PO4 G 105 >ILE~A 29 139.63 21.96 19.87 138.67 21.15 19.38 139.15 21.56 19.62 3 0 57.74 -999 ? O2 PO4 G 105 >GLN~A 30 138.74 28.05 20.92 137.52 28.84 22.45 138.13 28.44 21.69 2 0 50.85 -999 ? O2 PO4 G 105 >ALA~A 31 143.59 27.57 21.56 144.22 27.23 22.92 143.91 27.40 22.24 2 0 53.69 -999 ? O2 PO4 G 105 >PRO~A 32 145.75 24.05 19.89 145.52 26.25 19.51 145.64 25.15 19.70 3 0 57.76 -999 ? O2 PO4 G 105 >ILE~A 33 142.35 26.92 15.78 141.45 26.18 14.91 141.90 26.55 15.35 3 0 59.00 -999 ? O2 PO4 G 105 >LEU~A 34 141.81 31.25 18.56 139.70 30.85 18.09 140.76 31.05 18.33 3 0 53.99 -999 ? O2 PO4 G 105 >GLY~A 35 146.49 31.32 18.69 146.04 31.50 19.28 146.27 31.41 18.99 1 0 55.73 -999 ? O2 PO4 G 105 >ASN.A 36 147.20 34.90 21.27 147.86 36.13 22.87 147.53 35.52 22.07 2 0 51.00 -999 ? O2 PO4 G 105 >LEU^A 37 144.00 31.49 25.28 142.29 31.08 26.62 143.15 31.28 25.95 3 0 48.82 -999 ? O2 PO4 G 105 >ILE^A 38 144.81 37.17 26.75 145.18 38.53 26.44 145.00 37.85 26.59 3 0 46.03 -999 ? O2 PO4 G 105 >GLY^A 39 142.84 34.83 29.95 142.42 34.71 29.26 142.63 34.77 29.61 1 0 43.90 -999 ? O2 PO4 G 105 >TYR^A 40 138.65 30.88 29.78 136.43 29.82 28.44 137.54 30.35 29.11 3 0 44.94 -999 ? O2 PO4 G 105 >PHE^A 41 139.20 35.93 33.83 141.64 37.03 32.97 140.42 36.48 33.40 3 0 39.45 -999 ? O2 PO4 G 105 >VAL^A 42 134.53 33.18 36.13 133.84 31.18 36.65 134.18 32.18 36.39 3 0 37.56 -999 ? O2 PO4 G 105 >THR^A 43 133.04 36.22 37.86 132.02 37.94 37.05 132.53 37.08 37.46 2 0 32.84 -999 ? O2 PO4 G 105 >ASP^A 44 134.25 35.97 42.53 133.90 35.65 44.61 134.08 35.81 43.57 2 0 29.79 -999 ? O2 PO4 G 105 >ILE^A 45 132.25 40.37 43.37 132.49 40.75 44.72 132.37 40.56 44.04 3 0 26.26 -999 ? O2 PO4 G 105 >GLY.A 46 129.36 41.41 39.73 129.09 40.64 40.02 129.23 41.03 39.88 1 0 28.10 -999 ? O2 PO4 G 105 >PRO.A 47 127.89 41.35 35.64 127.70 40.04 37.49 127.80 40.70 36.57 3 0 30.76 -999 ? O2 PO4 G 105 >LEU.A 48 126.52 35.72 39.73 127.54 36.30 41.58 127.03 36.01 40.66 3 0 30.39 -999 ? O2 PO4 G 105 >SER.A 49 127.18 32.74 36.40 125.86 30.92 35.56 126.52 31.83 35.98 2 0 37.43 -999 ? O2 PO4 G 105 >GLN^A 50 130.05 37.10 33.20 129.84 39.22 33.50 129.94 38.16 33.35 2 0 34.46 -999 ? O2 PO4 G 105 >VAL^A 51 132.50 33.63 32.06 132.27 31.56 31.30 132.39 32.60 31.68 3 0 40.22 -999 ? O2 PO4 G 105 >ILE^A 52 135.15 37.35 31.12 135.02 38.59 31.51 135.08 37.97 31.31 3 0 38.25 -999 ? O2 PO4 G 105 >HIS^A 53 136.29 33.17 26.60 134.65 32.43 25.52 135.47 32.80 26.06 3 0 45.26 -999 ? O2 PO4 G 105 >MET?A 54 140.06 37.19 26.07 140.81 40.49 28.67 140.44 38.84 27.37 2 0 41.41 -999 ? O2 PO4 G 105 >TRP^A 55 138.92 34.67 23.02 140.71 31.17 22.85 139.82 32.92 22.93 3 0 49.05 -999 ? O2 PO4 G 105 >GLY^A 56 144.62 38.36 21.16 144.31 37.67 20.77 144.46 38.01 20.97 1 0 49.99 -999 ? O2 PO4 G 105 >TYR^A 57 142.90 37.63 17.00 141.10 35.56 17.69 142.00 36.60 17.35 3 0 52.81 -999 ? O2 PO4 G 105 >ALA.A 58 147.73 40.39 15.13 148.65 39.64 14.19 148.19 40.01 14.66 2 0 57.12 -999 ? O2 PO4 G 105 >SER~A 59 144.94 41.93 13.05 145.52 40.94 10.89 145.23 41.44 11.97 2 0 58.27 -999 ? O2 PO4 G 105 >LEU~A 60 140.28 43.02 12.24 139.04 43.95 13.83 139.66 43.49 13.04 3 0 53.61 -999 ? O2 PO4 G 105 >ASP~A 61 142.02 40.40 7.75 144.06 40.75 7.43 143.04 40.57 7.59 2 0 60.86 -999 ? O2 PO4 G 105 >ASP~A 62 145.34 37.85 11.76 146.32 36.19 12.69 145.83 37.02 12.23 2 0 58.53 -999 ? O2 PO4 G 105 >ARG~A 63 138.63 38.84 15.77 135.64 38.13 15.47 137.13 38.48 15.62 2 0 51.94 -999 ? O2 PO4 G 105 >ALA~A 64 138.76 36.20 10.72 138.36 37.19 9.62 138.56 36.69 10.17 2 0 58.23 -999 ? O2 PO4 G 105 >ARG~A 66 144.78 33.52 14.18 147.42 31.99 14.65 146.10 32.75 14.41 2 0 59.02 -999 ? O2 PO4 G 105 >ARG~A 67 136.36 34.75 15.71 134.67 32.85 17.50 135.52 33.80 16.60 2 0 52.13 -999 ? O2 PO4 G 105 >GLY~A 68 137.27 30.73 10.04 137.75 30.41 10.64 137.51 30.57 10.34 1 0 60.12 -999 ? O2 PO4 G 105 >LEU~A 70 137.82 28.08 15.06 137.51 27.50 17.17 137.66 27.79 16.12 3 0 56.51 -999 ? O2 PO4 G 105 >ALA~A 71 134.38 27.07 12.47 133.77 28.24 11.72 134.07 27.65 12.09 2 0 59.09 -999 ? O2 PO4 G 105 >GLU~A 72 137.29 25.24 8.52 137.82 26.07 6.65 137.55 25.65 7.58 2 0 65.29 -999 ? O2 PO4 G 105 >ASP~A 73 138.21 22.72 13.59 139.34 21.12 14.45 138.78 21.92 14.02 2 0 61.94 -999 ? O2 PO4 G 105 >GLN~A 74 135.84 17.64 10.47 136.59 15.84 9.60 136.21 16.74 10.03 2 0 68.19 -999 ? O2 PO4 G 105 >ARG~A 75 139.82 17.02 17.10 142.18 18.86 17.78 141.00 17.94 17.44 2 0 61.64 -999 ? O2 PO4 G 105 >TRP~A 76 134.24 25.32 16.59 135.03 26.04 20.38 134.64 25.68 18.49 3 0 55.04 -999 ? O2 PO4 G 105 >GLN~A 77 132.32 22.04 12.67 132.44 21.65 10.57 132.38 21.84 11.62 2 0 63.29 -999 ? O2 PO4 G 105 >ALA~A 78 131.28 18.22 17.22 132.12 16.93 17.22 131.70 17.57 17.22 2 0 60.96 -999 ? O2 PO4 G 105 >PHE~A 79 133.65 21.08 22.17 133.82 22.20 24.74 133.73 21.64 23.45 3 0 53.58 -999 ? O2 PO4 G 105 >ILE~A 80 130.75 24.58 19.07 130.56 25.41 19.20 130.66 24.99 19.13 3 0 54.22 -999 ? O2 PO4 G 105 >PRO~A 81 127.17 21.16 18.04 127.41 22.29 19.94 127.29 21.72 18.99 3 0 55.97 -999 ? O2 PO4 G 105 >ARG~A 82 128.65 16.98 23.34 131.74 16.85 23.14 130.20 16.92 23.24 2 0 56.73 -999 ? O2 PO4 G 105 >LEU~A 83 129.97 24.43 24.54 131.46 25.37 25.77 130.71 24.90 25.15 3 0 49.65 -999 ? O2 PO4 G 105 >SER~A 84 126.02 26.04 23.30 126.91 26.40 21.10 126.47 26.22 22.20 2 0 51.41 -999 ? O2 PO4 G 105 >VAL~A 85 123.11 24.33 25.09 122.51 22.24 25.57 122.81 23.29 25.33 3 0 49.99 -999 ? O2 PO4 G 105 >LEU.A 86 125.80 24.98 29.07 126.20 22.92 29.54 126.00 23.95 29.31 3 0 46.77 -999 ? O2 PO4 G 105 >ILE^A 87 125.78 29.62 26.14 126.98 30.14 25.57 126.38 29.88 25.85 3 0 45.49 -999 ? O2 PO4 G 105 >GLU^A 88 119.89 31.95 29.69 118.65 30.16 29.37 119.27 31.06 29.53 2 0 42.65 -999 ? O2 PO4 G 105 >SER^A 89 123.36 34.61 26.37 123.17 36.34 28.08 123.27 35.48 27.22 2 0 39.89 -999 ? O2 PO4 G 105 >SER^A 90 126.61 35.91 24.85 126.60 34.43 22.87 126.60 35.17 23.86 2 0 45.49 -999 ? O2 PO4 G 105 >GLU^A 91 128.20 40.42 25.67 127.24 41.97 26.75 127.72 41.19 26.21 2 0 38.72 -999 ? O2 PO4 G 105 >ASN^A 92 132.32 39.17 21.38 131.66 39.42 19.37 131.99 39.29 20.38 2 0 47.08 -999 ? O2 PO4 G 105 >ARG^A 93 133.31 44.90 25.17 132.72 44.83 28.20 133.02 44.86 26.69 2 0 37.37 -999 ? O2 PO4 G 105 >ILE^A 94 136.99 44.69 18.54 137.73 43.55 18.18 137.36 44.12 18.36 3 0 47.87 -999 ? O2 PO4 G 105 >LEU^A 95 139.49 45.61 23.72 137.91 45.34 25.18 138.70 45.47 24.45 3 0 42.45 -999 ? O2 PO4 G 105 >LEU^A 96 142.02 49.47 20.22 141.45 49.32 18.13 141.74 49.39 19.18 3 0 47.50 -999 ? O2 PO4 G 105 >PRO^A 97 145.59 46.26 23.01 144.55 48.24 23.27 145.07 47.25 23.14 3 0 45.89 -999 ? O2 PO4 G 105 >THR.A 98 146.34 51.82 24.76 145.62 52.39 26.71 145.98 52.10 25.74 2 0 42.30 -999 ? O2 PO4 G 105 >ASP.A 99 150.62 53.82 23.42 150.30 55.73 24.31 150.46 54.78 23.86 2 0 46.62 -999 ? O4 PO4 G 105 >PHE.A 100 148.79 53.93 28.96 146.17 54.93 29.02 147.48 54.43 28.99 3 0 41.30 -999 ? O2 PO4 G 105 >SER.A 101 148.69 48.83 28.26 147.03 47.11 27.61 147.86 47.97 27.94 2 0 43.25 -999 ? O2 PO4 G 105 >PRO.A 102 150.57 46.58 31.56 150.51 46.53 29.31 150.54 46.55 30.43 3 0 43.31 -999 ? O2 PO4 G 105 >LEU.A 103 147.65 43.13 27.18 147.43 41.05 27.67 147.54 42.09 27.42 3 0 45.10 -999 ? O2 PO4 G 105 >ARG.A 104 151.33 49.03 24.23 153.68 49.56 26.18 152.50 49.30 25.20 2 0 47.87 -999 ? O2 PO4 G 105 >SER.B -9 152.49 33.56 23.00 154.83 34.43 23.06 153.66 34.00 23.03 2 0 55.28 -999 ? O2 PO4 G 105 >ASP.B -8 152.94 29.23 25.21 152.41 28.43 23.33 152.68 28.83 24.27 2 0 56.53 -999 ? O2 PO4 G 105 >LYS.B -7 152.66 30.74 29.25 152.72 36.03 28.39 152.69 33.39 28.82 2 0 49.68 -999 ? O2 PO4 G 105 >ILE.B -6 155.64 27.77 31.05 156.42 26.56 30.46 156.03 27.17 30.76 3 0 54.54 -999 ? O2 PO4 G 105 >HIS.B -5 151.12 28.79 34.83 150.23 30.55 34.11 150.67 29.67 34.47 3 0 47.81 -999 ? O2 PO4 G 105 >HIS.B -4 156.96 24.83 36.35 157.89 24.65 34.48 157.43 24.74 35.42 3 0 54.31 -999 ? O2 PO4 G 105 >HIS.B -3 155.46 25.49 42.05 157.30 24.50 41.88 156.38 24.99 41.96 3 0 50.55 -999 ? O2 PO4 G 105 >HIS.B -2 147.53 28.00 42.65 145.96 29.31 43.16 146.75 28.65 42.91 3 0 41.78 -999 ? O2 PO4 G 105 >HIS.B -1 150.46 33.40 41.86 149.78 34.76 40.41 150.12 34.08 41.13 3 0 41.34 -999 ? O2 PO4 G 105 >MET?B 1 145.40 35.67 42.12 147.15 37.28 38.54 146.28 36.47 40.33 2 0 39.17 -999 ? O2 PO4 G 105 >ILE^B 2 141.26 37.95 42.61 141.20 38.58 43.25 141.23 38.26 42.93 3 0 32.52 -999 ? O2 PO4 G 105 >VAL^B 3 141.59 40.06 38.63 142.19 39.62 36.56 141.89 39.84 37.60 3 0 35.47 -999 ? O2 PO4 G 105 >GLU^B 4 138.78 45.53 39.74 139.03 47.05 41.16 138.91 46.29 40.45 2 0 28.27 -999 ? O2 PO4 G 105 >GLU^B 5 136.79 44.21 33.40 135.98 42.73 32.09 136.39 43.47 32.75 2 0 35.75 -999 ? O2 PO4 G 105 >ARG^B 6 139.13 49.67 38.53 137.40 51.37 40.46 138.26 50.52 39.49 2 0 26.66 -999 ? O2 PO4 G 105 >ILE^B 7 133.59 48.42 32.56 133.10 47.27 31.96 133.35 47.84 32.26 3 0 32.95 -999 ? O2 PO4 G 105 >TYR^B 8 135.98 53.96 34.03 137.46 53.53 36.34 136.72 53.74 35.19 3 0 30.43 -999 ? O2 PO4 G 105 >ILE^B 10 134.88 58.30 28.41 135.67 58.48 29.52 135.27 58.39 28.97 3 0 35.11 -999 ? O4 PO4 G 105 >GLY.B 12 131.27 62.17 24.58 131.63 62.63 25.19 131.45 62.40 24.89 1 0 38.22 -999 ? O4 PO4 G 105 >GLY.B 13 134.16 64.22 23.23 134.27 63.71 23.83 134.22 63.97 23.53 1 0 40.44 -999 ? O4 PO4 G 105 >LYS~B 14 136.41 63.37 26.23 133.88 67.20 28.99 135.14 65.28 27.61 2 0 35.42 -999 ? O4 PO4 G 105 >MET?B 15 138.21 60.15 25.22 138.51 56.96 25.91 138.36 58.55 25.57 2 0 39.23 -999 ? O4 PO4 G 105 >GLN~B 16 141.51 61.79 21.63 142.48 59.88 21.55 141.99 60.83 21.59 2 0 44.77 -999 ? O4 PO4 G 105 >GLU~B 17 140.82 66.07 28.66 139.25 67.46 29.07 140.04 66.77 28.87 2 0 37.43 -999 ? O4 PO4 G 105 >TYR~B 18 139.73 58.83 30.32 139.99 56.68 32.09 139.86 57.76 31.20 3 0 35.04 -999 ? O4 PO4 G 105 >LEU~B 19 143.52 58.64 26.36 142.75 56.72 25.70 143.14 57.68 26.03 3 0 41.16 -999 ? O4 PO4 G 105 >LYS~B 20 146.02 61.91 27.97 148.02 67.68 26.23 147.02 64.79 27.10 2 0 44.31 -999 ? O4 PO4 G 105 >LEU~B 21 144.28 62.66 32.43 143.62 64.61 33.03 143.95 63.63 32.73 3 0 36.14 -999 ? O4 PO4 G 105 >VAL~B 22 146.17 58.68 32.33 144.79 56.98 32.62 145.48 57.83 32.48 3 0 37.07 -999 ? O4 PO4 G 105 >ARG~B 23 150.18 58.93 26.08 147.30 58.74 24.93 148.74 58.83 25.51 2 0 44.23 -999 ? O4 PO4 G 105 >GLU~B 24 150.58 62.86 29.00 150.48 64.84 28.20 150.53 63.85 28.60 2 0 43.81 -999 ? O4 PO4 G 105 >GLU~B 25 149.93 63.89 34.86 148.71 65.56 35.26 149.32 64.73 35.06 2 0 37.52 -999 ? O4 PO4 G 105 >GLY~B 26 147.80 58.79 36.32 148.43 58.55 35.94 148.12 58.67 36.13 1 0 35.67 -999 ? O4 PO4 G 105 >ILE~B 27 149.21 54.80 33.94 149.05 54.01 33.94 149.13 54.41 33.94 3 0 38.55 -999 ? O2 PO4 G 105 >ALA~B 28 152.69 56.49 36.70 153.51 57.69 36.20 153.10 57.09 36.45 2 0 39.99 -999 ? O4 PO4 G 105 >ILE~B 29 150.08 58.16 40.48 149.68 59.37 41.00 149.88 58.77 40.74 3 0 34.28 -999 ? O4 PO4 G 105 >GLN~B 30 146.11 53.53 39.27 144.46 53.91 37.94 145.29 53.72 38.61 2 0 32.51 -999 ? O2 PO4 G 105 >ALA~B 31 150.45 51.22 38.80 151.03 51.04 37.39 150.74 51.13 38.09 2 0 37.90 -999 ? O2 PO4 G 105 >PRO~B 32 154.22 53.00 40.11 152.92 51.29 40.72 153.57 52.14 40.42 3 0 37.84 -999 ? O2 PO4 G 105 >ILE~B 33 150.06 52.52 44.46 149.74 53.65 45.37 149.90 53.09 44.91 3 0 32.21 -999 ? O2 PO4 G 105 >LEU~B 34 147.10 49.19 41.95 145.50 50.59 42.50 146.30 49.89 42.22 3 0 31.50 -999 ? O2 PO4 G 105 >GLY~B 35 151.13 46.71 41.74 150.61 46.72 41.20 150.87 46.72 41.47 1 0 36.29 -999 ? O2 PO4 G 105 >ASN.B 36 149.69 43.15 39.29 149.96 41.67 37.80 149.82 42.41 38.55 2 0 39.48 -999 ? O2 PO4 G 105 >LEU^B 37 148.69 47.68 35.20 147.55 48.85 33.76 148.12 48.27 34.48 3 0 38.40 -999 ? O2 PO4 G 105 >ILE^B 38 146.03 42.72 33.58 146.54 41.35 33.88 146.29 42.04 33.73 3 0 39.72 -999 ? O2 PO4 G 105 >GLY^B 39 145.67 45.64 30.38 145.43 46.00 31.09 145.55 45.82 30.73 1 0 40.68 -999 ? O2 PO4 G 105 >TYR^B 40 144.37 51.22 30.71 143.12 53.26 32.16 143.74 52.24 31.44 3 0 37.38 -999 ? O2 PO4 G 105 >PHE^B 41 141.85 46.65 26.72 143.36 44.42 27.45 142.60 45.53 27.09 3 0 41.80 -999 ? O2 PO4 G 105 >VAL^B 42 139.40 51.43 24.50 139.72 53.57 24.06 139.56 52.50 24.28 3 0 41.58 -999 ? O2 PO4 G 105 >THR^B 43 136.50 49.59 22.82 134.75 48.62 23.72 135.63 49.11 23.27 2 0 41.06 -999 ? O2 PO4 G 105 >ASP^B 44 137.49 49.48 18.10 137.40 50.43 16.20 137.44 49.96 17.15 2 0 48.60 -999 ? O2 PO4 G 105 >ILE^B 45 133.47 46.52 17.35 133.37 46.09 15.96 133.42 46.30 16.66 3 0 47.89 -999 ? O2 PO4 G 105 >GLY.B 46 130.78 47.23 21.27 130.84 48.04 20.94 130.81 47.64 21.10 1 0 42.75 -999 ? O2 PO4 G 105 >PRO.B 47 129.60 48.08 25.40 129.86 49.24 23.47 129.73 48.66 24.44 3 0 39.21 -999 ? O2 PO4 G 105 >LEU.B 48 131.39 53.53 21.26 131.84 52.47 19.41 131.62 53.00 20.34 3 0 42.87 -999 ? O2 PO4 G 105 >SER.B 49 133.29 55.77 24.50 133.12 58.18 24.79 133.21 56.98 24.64 2 0 38.42 -999 ? O4 PO4 G 105 >GLN^B 50 133.66 50.47 27.48 132.64 48.61 27.14 133.15 49.54 27.31 2 0 37.28 -999 ? O2 PO4 G 105 >VAL^B 51 137.49 52.28 28.65 138.97 53.77 29.24 138.23 53.02 28.95 3 0 36.75 -999 ? O2 PO4 G 105 >ILE^B 52 137.94 47.63 29.45 137.12 46.50 29.13 137.53 47.07 29.29 3 0 37.30 -999 ? O2 PO4 G 105 >HIS^B 53 141.23 50.40 33.88 140.21 51.80 35.06 140.72 51.10 34.47 3 0 33.41 -999 ? O2 PO4 G 105 >MET?B 54 142.38 45.05 34.46 141.25 41.94 31.82 141.82 43.50 33.14 2 0 38.51 -999 ? O2 PO4 G 105 >TRP^B 55 142.80 47.82 37.51 146.18 49.83 37.56 144.49 48.82 37.53 3 0 33.71 -999 ? O2 PO4 G 105 >GLY^B 56 145.90 41.71 39.29 145.89 42.47 39.68 145.90 42.09 39.48 1 0 35.84 -999 ? O2 PO4 G 105 >TYR^B 57 144.54 43.40 43.47 144.23 46.11 42.90 144.38 44.75 43.19 3 0 31.15 -999 ? O2 PO4 G 105 >ALA.B 58 146.78 38.42 45.47 147.99 38.49 46.42 147.38 38.46 45.95 2 0 34.92 -999 ? O2 PO4 G 105 >SER~B 59 143.59 38.69 47.54 144.38 39.41 49.72 143.98 39.05 48.63 2 0 30.43 -999 ? O2 PO4 G 105 >LEU~B 60 139.16 40.69 48.08 137.86 40.49 46.31 138.51 40.59 47.19 3 0 27.16 -999 ? O2 PO4 G 105 >ASP~B 61 142.49 41.59 52.56 140.74 41.06 53.62 141.61 41.32 53.09 2 0 25.42 -999 ? O2 PO4 G 105 >ASP~B 62 146.22 42.02 48.58 148.01 42.86 47.82 147.11 42.44 48.20 2 0 32.17 -999 ? O2 PO4 G 105 >ARG~B 63 140.31 45.10 44.38 138.00 47.13 44.79 139.15 46.12 44.58 2 0 25.03 -999 ? O2 PO4 G 105 >ALA~B 64 141.65 46.88 49.75 140.80 46.25 50.84 141.22 46.57 50.30 2 0 23.73 -999 ? O2 PO4 G 105 >GLU~B 65 147.33 47.18 52.22 148.47 45.83 53.38 147.90 46.51 52.80 2 0 29.22 -999 ? O2 PO4 G 105 >ARG~B 66 148.20 45.85 46.41 151.21 45.60 45.84 149.71 45.72 46.12 2 0 34.57 -999 ? O2 PO4 G 105 >ARG~B 67 140.69 49.33 44.60 140.24 51.73 42.67 140.46 50.53 43.64 2 0 26.56 -999 ? O2 PO4 G 105 >GLY~B 68 143.51 52.52 50.34 144.12 52.46 49.81 143.81 52.49 50.07 1 0 24.11 -999 ? O2 PO4 G 105 >LEU~B 70 145.61 54.20 45.30 145.65 54.90 43.25 145.63 54.55 44.27 3 0 28.96 -999 ? O2 PO4 G 105 >ALA~B 71 143.33 57.02 47.92 142.11 56.44 48.66 142.72 56.73 48.29 2 0 23.41 -999 ? O2 PO4 G 105 >GLU~B 72 147.19 57.61 52.72 148.08 55.92 53.68 147.63 56.77 53.20 2 0 26.52 -999 ? O2 PO4 G 105 >ASP~B 73 148.96 58.44 46.81 150.58 59.35 45.76 149.77 58.90 46.28 2 0 32.04 -999 ? O4 PO4 G 105 >GLN~B 74 149.71 65.25 48.38 150.44 66.00 50.22 150.08 65.63 49.30 2 0 30.61 -999 ? O4 PO4 G 105 >ARG~B 75 153.26 61.97 43.01 153.93 58.94 42.73 153.60 60.46 42.87 2 0 36.47 -999 ? O4 PO4 G 105 >TRP~B 76 143.95 58.47 43.95 144.31 57.27 40.22 144.13 57.87 42.09 3 0 29.06 -999 ? O4 PO4 G 105 >GLN~B 77 144.23 62.38 47.82 144.68 62.77 49.87 144.45 62.57 48.85 2 0 25.08 -999 ? O4 PO4 G 105 >ALA~B 78 145.23 66.02 43.11 146.59 66.73 43.13 145.91 66.38 43.12 2 0 31.03 -999 ? O4 PO4 G 105 >PHE~B 79 145.58 61.96 38.37 144.94 60.67 35.97 145.26 61.31 37.17 3 0 33.34 -999 ? O4 PO4 G 105 >ILE~B 80 141.46 60.72 41.58 140.83 60.20 41.43 141.15 60.46 41.51 3 0 27.33 -999 ? O4 PO4 G 105 >PRO~B 81 140.34 65.51 42.49 139.72 64.27 40.71 140.03 64.89 41.60 3 0 27.04 -999 ? O4 PO4 G 105 >ARG~B 82 143.48 67.95 36.95 146.33 66.77 37.06 144.91 67.36 37.00 2 0 34.85 -999 ? O4 PO4 G 105 >LEU~B 83 140.69 61.10 36.13 141.22 59.50 34.78 140.95 60.30 35.46 3 0 31.96 -999 ? O4 PO4 G 105 >SER~B 84 136.55 61.47 37.56 137.29 60.65 39.71 136.92 61.06 38.63 2 0 26.40 -999 ? O4 PO4 G 105 >VAL~B 85 134.72 64.45 36.08 135.15 66.54 35.57 134.94 65.49 35.83 3 0 29.23 -999 ? O4 PO4 G 105 >LEU.B 86 136.61 62.78 31.95 137.80 64.39 31.13 137.20 63.58 31.54 3 0 33.71 -999 ? O4 PO4 G 105 >ILE^B 87 134.16 58.76 34.72 134.96 57.73 35.23 134.56 58.24 34.97 3 0 29.29 -999 ? O4 PO4 G 105 >GLU^B 88 127.69 59.19 31.31 126.77 57.60 30.14 127.23 58.40 30.73 2 0 31.94 -999 ? O4 PO4 G 105 >SER^B 89 129.48 55.71 34.37 127.29 55.53 33.38 128.39 55.62 33.87 2 0 29.04 -999 ? O4 PO4 G 105 >SER^B 90 131.62 53.09 36.02 131.89 54.61 37.90 131.76 53.85 36.96 2 0 25.94 -999 ? O2 PO4 G 105 >GLU^B 91 130.57 48.23 35.15 128.95 47.43 34.06 129.76 47.83 34.61 2 0 30.28 -999 ? O2 PO4 G 105 >ASN^B 92 134.83 47.28 39.36 134.13 47.42 41.36 134.48 47.35 40.36 2 0 25.49 -999 ? O2 PO4 G 105 >ARG^B 93 132.58 42.06 35.54 132.09 42.32 32.53 132.33 42.19 34.03 2 0 34.33 -999 ? O2 PO4 G 105 >ILE^B 94 136.12 40.22 41.97 137.40 40.78 42.42 136.76 40.50 42.19 3 0 29.39 -999 ? O2 PO4 G 105 >LEU^B 95 137.59 38.11 36.69 136.41 39.30 35.29 137.00 38.71 35.99 3 0 34.91 -999 ? O2 PO4 G 105 >LEU^B 96 137.90 33.42 40.08 137.43 33.99 42.16 137.67 33.71 41.12 3 0 34.72 -999 ? O2 PO4 G 105 >PRO^B 97 142.62 34.40 37.24 140.70 33.22 37.08 141.66 33.81 37.16 3 0 38.94 -999 ? O2 PO4 G 105 >THR.B 98 140.22 29.17 35.67 139.20 29.04 33.79 139.71 29.11 34.73 2 0 43.07 -999 ? O2 PO4 G 105 >ASP.B 99 142.85 25.32 37.09 141.65 23.80 36.18 142.25 24.56 36.63 2 0 46.18 -999 ? O2 PO4 G 105 >PHE.B 100 141.14 26.10 31.47 138.47 26.87 31.34 139.80 26.49 31.40 3 0 46.54 -999 ? O2 PO4 G 105 >SER.B 101 143.76 30.40 32.07 143.43 32.78 32.60 143.60 31.59 32.34 2 0 43.39 -999 ? O2 PO4 G 105 >PRO.B 102 146.22 31.27 28.55 146.49 31.20 30.75 146.36 31.23 29.65 3 0 47.67 -999 ? O2 PO4 G 105 >LEU.B 103 146.41 35.78 32.48 146.76 37.70 33.35 146.59 36.74 32.92 3 0 42.73 -999 ? O2 PO4 G 105 >ARG.B 104 146.72 29.00 36.50 147.94 27.24 34.26 147.33 28.12 35.38 2 0 47.89 -999 ? O2 PO4 G 105 >MET?C 1 92.29 52.18 18.71 91.77 54.15 22.38 92.03 53.17 20.54 2 0 49.06 -999 ? O1 PO4 G 105 >ILE^C 2 97.13 52.18 18.37 97.61 52.76 17.83 97.37 52.47 18.10 3 0 49.85 -999 ? O1 PO4 G 105 >VAL^C 3 97.81 53.58 22.54 96.97 53.28 24.53 97.39 53.43 23.53 3 0 45.05 -999 ? O1 PO4 G 105 >GLU^C 4 103.09 56.78 21.78 103.58 58.61 20.86 103.34 57.70 21.32 2 0 44.34 -999 ? O1 PO4 G 105 >GLU^C 5 103.90 54.09 28.16 103.96 52.35 29.35 103.93 53.22 28.75 2 0 36.96 -999 ? O1 PO4 G 105 >ARG^C 6 104.98 60.56 23.64 107.45 60.99 21.82 106.21 60.78 22.73 2 0 42.17 -999 ? O1 PO4 G 105 >ILE^C 7 108.78 55.94 29.25 108.60 54.72 29.62 108.69 55.33 29.43 3 0 34.61 -999 ? O1 PO4 G 105 >TYR^C 8 109.68 62.01 28.52 108.48 62.81 26.11 109.08 62.41 27.32 3 0 36.59 -999 ? O1 PO4 G 105 >ARG^C 9 116.79 58.35 34.06 119.28 59.33 32.51 118.03 58.84 33.28 2 0 29.28 -999 ? O1 PO4 G 105 >ILE^C 10 112.69 64.53 34.64 112.27 65.30 33.61 112.48 64.92 34.12 3 0 29.60 -999 ? O1 PO4 G 105 >GLY.C 12 117.75 65.18 38.85 117.71 65.84 38.36 117.73 65.51 38.60 1 0 24.10 -999 ? O1 PO4 G 105 >GLY.C 13 116.19 68.16 40.66 115.93 67.92 39.96 116.06 68.04 40.31 1 0 23.73 -999 ? O4 PO4 G 105 >LYS~C 14 114.22 69.29 37.58 117.57 73.40 36.37 115.89 71.35 36.98 2 0 29.38 -999 ? O4 PO4 G 105 >MET?C 15 110.91 67.41 38.05 109.05 64.85 37.09 109.98 66.13 37.57 2 0 28.08 -999 ? O1 PO4 G 105 >GLN~C 16 108.67 69.89 42.17 106.93 68.64 41.89 107.80 69.27 42.03 2 0 26.35 -999 ? O1 PO4 G 105 >GLU~C 17 111.93 73.83 35.63 113.97 74.44 35.57 112.95 74.13 35.60 2 0 31.39 -999 ? O4 PO4 G 105 >TYR~C 18 109.08 67.68 33.01 107.88 66.22 30.97 108.48 66.95 31.99 3 0 33.35 -999 ? O1 PO4 G 105 >LEU~C 19 105.40 68.89 36.99 105.17 66.74 37.37 105.28 67.81 37.18 3 0 30.58 -999 ? O1 PO4 G 105 >LEU~C 21 107.44 73.42 31.49 109.19 74.71 31.35 108.32 74.07 31.42 3 0 36.40 -999 ? O1 PO4 G 105 >VAL~C 22 103.68 71.02 31.08 103.86 68.85 30.77 103.77 69.94 30.92 3 0 37.09 -999 ? O1 PO4 G 105 >ARG~C 23 100.04 72.55 37.30 102.24 70.79 38.60 101.14 71.67 37.95 2 0 32.21 -999 ? O1 PO4 G 105 >GLU~C 24 101.74 76.29 35.13 102.51 77.78 36.49 102.13 77.03 35.81 2 0 36.80 -999 ? O1 PO4 G 105 >GLU~C 25 103.78 77.85 29.26 105.78 78.55 29.00 104.78 78.20 29.13 2 0 41.36 -999 ? O1 PO4 G 105 >GLY~C 26 102.76 72.52 27.28 102.07 72.68 27.61 102.42 72.60 27.45 1 0 41.43 -999 ? O1 PO4 G 105 >ILE~C 27 99.23 69.64 29.10 98.95 68.85 29.12 99.09 69.24 29.11 3 0 40.70 -999 ? O1 PO4 G 105 >ALA~C 28 97.26 73.10 26.67 97.14 74.50 27.30 97.20 73.80 26.99 2 0 44.84 -999 ? O1 PO4 G 105 >ILE~C 29 100.48 73.68 23.04 101.49 74.54 22.75 100.98 74.11 22.90 3 0 46.40 -999 ? O1 PO4 G 105 >GLN~C 30 101.27 67.49 23.56 102.68 66.60 24.89 101.97 67.04 24.23 2 0 41.90 -999 ? O1 PO4 G 105 >ALA~C 31 96.42 67.73 23.92 95.79 67.73 25.34 96.10 67.73 24.63 2 0 45.16 -999 ? O1 PO4 G 105 >PRO~C 32 94.20 71.47 22.87 94.45 69.37 22.09 94.32 70.42 22.48 3 0 48.89 -999 ? O1 PO4 G 105 >ILE~C 33 97.71 69.44 18.45 98.56 70.34 17.76 98.14 69.89 18.11 3 0 50.52 -999 ? O1 PO4 G 105 >LEU~C 34 98.19 64.61 20.66 100.37 64.68 20.31 99.28 64.64 20.48 3 0 46.96 -999 ? O1 PO4 G 105 >GLY~C 35 93.55 64.71 20.44 94.00 64.48 21.01 93.77 64.59 20.73 1 0 49.89 -999 ? O1 PO4 G 105 >ASN.C 36 92.73 60.88 22.52 91.81 59.45 23.85 92.27 60.17 23.19 2 0 47.71 -999 ? O1 PO4 G 105 >LEU^C 37 95.82 63.62 27.15 97.30 63.74 28.71 96.56 63.68 27.93 3 0 41.94 -999 ? O1 PO4 G 105 >ILE^C 38 95.06 57.80 27.94 94.69 56.48 27.46 94.88 57.14 27.70 3 0 42.78 -999 ? O1 PO4 G 105 >GLY^C 39 96.92 59.64 31.46 97.34 59.88 30.78 97.13 59.76 31.12 1 0 38.57 -999 ? O1 PO4 G 105 >TYR^C 40 101.05 63.63 31.81 103.30 64.77 30.57 102.18 64.20 31.19 3 0 36.26 -999 ? O1 PO4 G 105 >PHE^C 41 100.49 58.04 35.06 98.14 56.95 33.99 99.31 57.50 34.52 3 0 34.67 -999 ? O1 PO4 G 105 >VAL^C 42 105.04 60.47 37.87 105.78 62.33 38.75 105.41 61.40 38.31 3 0 28.20 -999 ? O1 PO4 G 105 >THR^C 43 106.64 57.21 39.05 107.67 55.58 38.01 107.15 56.40 38.53 2 0 27.23 -999 ? O1 PO4 G 105 >ASP^C 44 105.42 56.91 43.63 105.72 57.06 45.71 105.57 56.98 44.67 2 0 22.02 -999 ? O1 PO4 G 105 >ILE^C 45 107.40 52.34 44.00 107.24 51.68 45.29 107.32 52.01 44.64 3 0 22.62 -999 ? O1 PO4 G 105 >GLY.C 46 110.25 52.06 40.18 110.59 52.73 40.60 110.42 52.40 40.39 1 0 24.76 -999 ? O1 PO4 G 105 >PRO.C 47 111.71 52.72 36.11 112.11 53.51 38.19 111.91 53.11 37.15 3 0 26.62 -999 ? O1 PO4 G 105 >LEU.C 48 113.18 57.57 41.01 112.09 56.85 42.77 112.63 57.21 41.89 3 0 21.47 -999 ? O1 PO4 G 105 >SER.C 49 112.45 60.97 38.17 113.77 63.02 37.90 113.11 62.00 38.04 2 0 25.30 -999 ? O1 PO4 G 105 >GLN^C 50 109.61 57.10 34.43 109.88 54.99 34.46 109.74 56.04 34.45 2 0 29.54 -999 ? O1 PO4 G 105 >VAL^C 51 107.14 60.56 33.83 107.48 62.69 33.35 107.31 61.63 33.59 3 0 31.39 -999 ? O1 PO4 G 105 >ILE^C 52 104.53 57.00 32.29 104.69 55.70 32.47 104.61 56.35 32.38 3 0 33.56 -999 ? O1 PO4 G 105 >HIS^C 53 103.46 61.70 28.39 105.01 62.47 27.20 104.24 62.08 27.79 3 0 37.95 -999 ? O1 PO4 G 105 >MET?C 54 99.68 57.82 27.31 98.94 54.16 29.64 99.31 55.99 28.47 2 0 39.03 -999 ? O1 PO4 G 105 >TRP^C 55 101.01 60.73 24.45 99.10 64.14 24.91 100.06 62.43 24.68 3 0 42.66 -999 ? O1 PO4 G 105 >GLY^C 56 95.16 57.53 22.14 95.59 58.21 21.84 95.37 57.87 21.99 1 0 47.16 -999 ? O1 PO4 G 105 >TYR^C 57 97.28 58.64 18.20 98.94 60.64 19.21 98.11 59.64 18.71 3 0 48.65 -999 ? O1 PO4 G 105 >ALA.C 58 92.67 55.91 15.78 91.76 56.71 14.85 92.22 56.31 15.32 2 0 55.15 -999 ? O1 PO4 G 105 >SER~C 59 95.68 54.76 13.70 95.54 55.97 11.58 95.61 55.37 12.64 2 0 56.19 -999 ? O1 PO4 G 105 >LEU~C 60 100.47 54.16 13.21 101.26 52.94 14.85 100.86 53.55 14.03 3 0 51.90 -999 ? O1 PO4 G 105 >ASP~C 61 98.36 57.04 8.88 99.57 55.70 7.72 98.96 56.37 8.30 2 0 58.08 -999 ? O1 PO4 G 105 >ASP~C 62 95.35 59.09 12.91 94.22 60.56 13.96 94.78 59.82 13.44 2 0 54.71 -999 ? O1 PO4 G 105 >ARG~C 63 101.85 57.67 17.13 104.90 58.29 16.95 103.37 57.98 17.04 2 0 47.51 -999 ? O1 PO4 G 105 >ALA~C 64 101.90 60.88 12.38 102.45 60.06 11.20 102.18 60.47 11.79 2 0 53.78 -999 ? O1 PO4 G 105 >GLU~C 65 97.66 64.45 9.54 95.68 64.24 8.72 96.67 64.34 9.13 2 0 58.96 -999 ? O1 PO4 G 105 >ARG~C 66 95.67 63.12 15.97 92.85 64.38 16.25 94.26 63.75 16.11 2 0 53.73 -999 ? O1 PO4 G 105 >ARG~C 67 103.63 61.62 17.77 105.35 63.24 19.75 104.49 62.43 18.76 2 0 45.00 -999 ? O1 PO4 G 105 >GLY~C 68 103.44 66.47 12.58 102.87 66.72 13.15 103.16 66.60 12.87 1 0 52.77 -999 ? O1 PO4 G 105 >LEU~C 70 102.43 68.49 17.85 102.65 68.66 20.02 102.54 68.57 18.93 3 0 47.66 -999 ? O1 PO4 G 105 >ALA~C 71 105.82 69.96 15.48 106.53 68.86 14.69 106.17 69.41 15.08 2 0 50.30 -999 ? O1 PO4 G 105 >GLU~C 72 104.51 71.47 10.87 103.22 71.18 9.21 103.86 71.33 10.04 2 0 56.87 -999 ? O1 PO4 G 105 >ASP~C 73 101.91 74.08 16.71 100.71 75.44 17.76 101.31 74.76 17.23 2 0 51.31 -999 ? O1 PO4 G 105 >GLN~C 74 104.82 80.81 16.44 104.74 81.66 18.48 104.78 81.23 17.46 2 0 51.75 -999 ? O1 PO4 G 105 >ARG~C 75 99.96 78.75 20.81 97.97 76.40 20.84 98.96 77.57 20.83 2 0 50.23 -999 ? O1 PO4 G 105 >TRP~C 76 106.04 71.00 19.64 104.84 69.87 23.24 105.44 70.44 21.44 3 0 44.81 -999 ? O1 PO4 G 105 >GLN~C 77 107.81 74.83 16.26 107.86 75.49 14.23 107.83 75.16 15.24 2 0 52.17 -999 ? O1 PO4 G 105 >ALA~C 78 108.80 78.29 21.19 108.01 79.55 21.25 108.41 78.92 21.22 2 0 47.51 -999 ? O1 PO4 G 105 >PHE~C 79 106.48 74.55 25.50 106.38 72.95 27.76 106.43 73.75 26.63 3 0 40.98 -999 ? O1 PO4 G 105 >ILE~C 80 109.35 71.53 22.27 109.53 70.67 22.26 109.44 71.10 22.26 3 0 43.04 -999 ? O1 PO4 G 105 >PRO~C 81 112.78 75.07 21.77 112.56 73.62 23.48 112.67 74.35 22.62 3 0 43.05 -999 ? O4 PO4 G 105 >ARG~C 82 111.54 78.43 27.76 108.44 78.36 27.91 109.99 78.40 27.84 2 0 41.26 -999 ? O1 PO4 G 105 >LEU~C 83 109.85 70.74 27.66 108.33 69.61 28.77 109.09 70.18 28.21 3 0 37.46 -999 ? O1 PO4 G 105 >SER~C 84 113.76 69.20 26.13 112.88 68.88 23.88 113.32 69.04 25.01 2 0 40.11 -999 ? O1 PO4 G 105 >VAL~C 85 116.74 70.54 28.08 117.33 72.49 28.95 117.04 71.52 28.51 3 0 35.80 -999 ? O4 PO4 G 105 >LEU.C 86 113.94 69.39 31.86 113.74 71.34 32.74 113.84 70.37 32.30 3 0 32.59 -999 ? O1 PO4 G 105 >ILE^C 87 113.96 65.21 28.39 112.71 64.77 27.74 113.33 64.99 28.06 3 0 35.14 -999 ? O1 PO4 G 105 >SER^C 89 116.38 60.23 28.36 117.42 58.10 28.03 116.90 59.16 28.20 2 0 33.86 -999 ? O1 PO4 G 105 >SER^C 90 113.24 59.10 26.47 113.34 60.63 24.59 113.29 59.87 25.53 2 0 37.96 -999 ? O1 PO4 G 105 >GLU^C 91 111.49 54.65 26.82 112.11 52.81 27.66 111.80 53.73 27.24 2 0 35.57 -999 ? O1 PO4 G 105 >ASN^C 92 107.41 56.19 22.72 107.99 56.34 20.67 107.70 56.27 21.69 2 0 43.05 -999 ? O1 PO4 G 105 >ARG^C 93 106.06 49.94 25.58 107.01 49.91 28.52 106.54 49.93 27.05 2 0 36.90 -999 ? O1 PO4 G 105 >ILE^C 94 102.75 51.38 19.16 101.90 52.51 18.85 102.33 51.94 19.01 3 0 46.96 -999 ? O1 PO4 G 105 >LEU^C 95 100.02 49.71 24.16 101.47 49.91 25.70 100.75 49.81 24.93 3 0 42.73 -999 ? O1 PO4 G 105 >LEU^C 96 97.72 46.35 20.11 98.32 47.03 18.12 98.02 46.69 19.11 3 0 49.67 -999 ? O1 PO4 G 105 >PRO^C 97 93.94 49.14 23.08 95.02 47.17 23.16 94.48 48.16 23.12 3 0 47.79 -999 ? O1 PO4 G 105 >THR.C 98 93.26 43.36 24.13 94.03 42.52 25.99 93.65 42.94 25.06 2 0 47.32 -999 ? O1 PO4 G 105 >ASP.C 99 89.07 41.42 22.60 89.42 39.40 23.20 89.24 40.41 22.90 2 0 53.13 -999 ? O1 PO4 G 105 >PHE.C 100 90.85 40.63 28.13 93.49 39.71 28.12 92.17 40.17 28.12 3 0 47.68 -999 ? O1 PO4 G 105 >SER.C 101 90.86 45.78 28.06 92.49 47.58 27.60 91.67 46.68 27.83 2 0 45.59 -999 ? O1 PO4 G 105 >PRO.C 102 89.20 47.55 31.71 89.11 47.91 29.51 89.15 47.73 30.61 3 0 45.59 -999 ? O1 PO4 G 105 >LEU.C 103 91.77 51.60 27.99 92.19 53.68 28.25 91.98 52.64 28.12 3 0 44.61 -999 ? O1 PO4 G 105 >ARG.C 104 88.40 46.25 24.02 86.08 45.48 25.90 87.24 45.87 24.96 2 0 51.48 -999 ? O1 PO4 G 105 >MET?D 1 94.15 57.20 43.42 92.26 55.56 39.83 93.21 56.38 41.62 2 0 36.06 -999 ? O1 PO4 G 105 >ILE^D 2 97.57 54.06 43.67 98.91 54.45 43.89 98.24 54.26 43.78 3 0 29.09 -999 ? O1 PO4 G 105 >VAL^D 3 98.01 53.27 39.28 97.43 53.92 37.30 97.72 53.59 38.29 3 0 33.21 -999 ? O1 PO4 G 105 >GLU^D 4 100.87 47.75 39.95 100.37 45.91 40.92 100.62 46.83 40.44 2 0 31.64 -999 ? O1 PO4 G 105 >GLU^D 5 102.56 49.81 33.55 103.62 51.30 32.43 103.09 50.56 32.99 2 0 34.65 -999 ? O1 PO4 G 105 >ARG^D 6 100.45 43.65 38.05 102.27 41.84 39.75 101.36 42.74 38.90 2 0 33.07 -999 ? O1 PO4 G 105 >ILE^D 7 105.99 45.77 32.33 106.43 46.90 32.06 106.21 46.34 32.19 3 0 35.01 -999 ? O1 PO4 G 105 >TYR^D 8 103.60 40.04 32.96 102.22 39.80 35.39 102.91 39.92 34.17 3 0 37.60 -999 ? O1 PO4 G 105 >ILE^D 10 104.75 36.40 26.88 103.90 35.97 27.90 104.32 36.19 27.39 3 0 43.99 -999 ? O1 PO4 G 105 >GLY.D 12 108.49 33.18 22.68 108.13 32.62 23.20 108.31 32.90 22.94 1 0 47.98 -999 ? O1 PO4 G 105 >GLY.D 13 105.52 31.52 20.97 105.42 31.89 21.66 105.47 31.71 21.32 1 0 51.05 -999 ? O1 PO4 G 105 >LYS~D 14 103.30 31.60 24.09 103.68 26.28 25.30 103.49 28.94 24.69 2 0 51.37 -999 ? O1 PO4 G 105 >MET?D 15 101.46 34.95 23.65 101.36 38.11 24.71 101.41 36.53 24.18 2 0 46.39 -999 ? O1 PO4 G 105 >GLN~D 16 98.19 33.96 19.75 97.06 35.81 19.99 97.62 34.89 19.87 2 0 52.98 -999 ? O1 PO4 G 105 >GLU~D 17 98.74 28.64 26.04 100.36 27.39 26.67 99.55 28.01 26.35 2 0 50.96 -999 ? O1 PO4 G 105 >TYR~D 18 99.88 35.66 28.91 99.62 37.53 30.98 99.75 36.59 29.95 3 0 43.82 -999 ? O1 PO4 G 105 >LEU~D 19 95.87 36.53 24.96 97.08 38.30 24.54 96.47 37.41 24.75 3 0 48.90 -999 ? O1 PO4 G 105 >LYS~D 20 93.51 32.82 25.96 90.93 28.15 23.61 92.22 30.48 24.79 2 0 56.99 -999 ? O1 PO4 G 105 >LEU~D 21 95.49 31.48 30.27 96.30 29.46 30.54 95.90 30.47 30.40 3 0 48.69 -999 ? O1 PO4 G 105 >VAL~D 22 93.43 35.36 30.86 94.75 37.10 31.28 94.09 36.23 31.07 3 0 46.21 -999 ? O1 PO4 G 105 >ARG~D 23 89.46 36.12 24.73 92.26 36.45 23.43 90.86 36.28 24.08 2 0 52.48 -999 ? O1 PO4 G 105 >GLU~D 24 88.97 31.89 26.95 89.25 30.17 25.77 89.11 31.03 26.36 2 0 55.44 -999 ? O1 PO4 G 105 >GLU~D 25 89.89 29.96 33.79 91.29 28.42 34.01 90.59 29.19 33.90 2 0 50.26 -999 ? O1 PO4 G 105 >GLY~D 26 91.90 34.66 34.52 91.20 34.91 34.25 91.55 34.78 34.39 1 0 46.15 -999 ? O1 PO4 G 105 >ILE~D 27 90.50 38.97 32.91 90.62 39.78 32.90 90.56 39.38 32.91 3 0 45.82 -999 ? O1 PO4 G 105 >ALA~D 28 86.99 37.04 35.39 86.16 35.92 34.75 86.58 36.48 35.07 2 0 49.23 -999 ? O1 PO4 G 105 >ILE~D 29 89.57 34.79 38.88 89.98 33.51 39.21 89.78 34.15 39.05 3 0 45.33 -999 ? O1 PO4 G 105 >GLN~D 30 93.46 39.69 38.47 95.10 39.64 37.13 94.28 39.67 37.80 2 0 40.12 -999 ? O1 PO4 G 105 >ALA~D 31 89.30 42.00 38.06 88.67 42.34 36.72 88.98 42.17 37.39 2 0 43.69 -999 ? O1 PO4 G 105 >PRO~D 32 85.52 39.98 39.26 86.88 41.65 40.03 86.20 40.81 39.64 3 0 44.57 -999 ? O1 PO4 G 105 >ILE~D 33 89.68 39.77 43.66 89.98 38.54 44.41 89.83 39.16 44.04 3 0 40.43 -999 ? O1 PO4 G 105 >LEU~D 34 92.55 43.51 41.27 94.39 42.42 41.72 93.47 42.96 41.49 3 0 37.26 -999 ? O1 PO4 G 105 >GLY~D 35 88.70 46.11 41.61 89.16 46.11 41.02 88.93 46.11 41.32 1 0 39.76 -999 ? O1 PO4 G 105 >ASN.D 36 90.00 49.90 39.66 89.67 51.65 38.48 89.83 50.78 39.07 2 0 39.39 -999 ? O1 PO4 G 105 >LEU^D 37 90.98 46.00 34.99 92.16 44.97 33.44 91.57 45.49 34.22 3 0 42.10 -999 ? O1 PO4 G 105 >ILE^D 38 93.53 51.30 34.13 92.98 52.63 34.58 93.25 51.97 34.36 3 0 39.32 -999 ? O1 PO4 G 105 >GLY^D 39 94.00 48.72 30.68 94.20 48.27 31.33 94.10 48.50 31.01 1 0 42.09 -999 ? O1 PO4 G 105 >TYR^D 40 95.16 43.19 30.18 96.44 41.06 31.41 95.80 42.12 30.80 3 0 42.89 -999 ? O1 PO4 G 105 >PHE^D 41 97.59 48.21 26.79 96.20 50.33 27.97 96.89 49.27 27.38 3 0 42.79 -999 ? O1 PO4 G 105 >VAL^D 42 100.16 43.82 23.96 99.97 41.81 23.10 100.06 42.81 23.53 3 0 46.10 -999 ? O1 PO4 G 105 >THR^D 43 103.10 45.80 22.60 104.75 46.61 23.70 103.93 46.20 23.15 2 0 42.87 -999 ? O1 PO4 G 105 >ASP^D 44 101.99 46.63 18.06 102.10 46.35 15.96 102.05 46.49 17.01 2 0 50.84 -999 ? O1 PO4 G 105 >ILE^D 45 106.07 49.56 17.64 106.19 50.26 16.40 106.13 49.91 17.02 3 0 47.78 -999 ? O1 PO4 G 105 >GLY.D 46 108.87 48.35 21.27 108.75 47.54 20.92 108.81 47.94 21.10 1 0 43.31 -999 ? O1 PO4 G 105 >PRO.D 47 110.29 47.14 25.25 109.78 46.17 23.27 110.04 46.66 24.26 3 0 40.66 -999 ? O1 PO4 G 105 >LEU.D 48 108.58 42.13 20.49 107.93 43.19 18.72 108.25 42.66 19.61 3 0 46.62 -999 ? O1 PO4 G 105 >SER.D 49 106.34 39.53 23.32 106.47 37.12 23.59 106.40 38.32 23.45 2 0 45.87 -999 ? O1 PO4 G 105 >GLN^D 50 105.86 44.32 27.01 107.09 46.03 27.03 106.47 45.18 27.02 2 0 39.24 -999 ? O1 PO4 G 105 >VAL^D 51 102.08 42.42 27.92 100.70 40.74 28.38 101.39 41.58 28.15 3 0 42.19 -999 ? O1 PO4 G 105 >ILE^D 52 101.63 46.79 29.40 102.46 47.92 29.28 102.05 47.35 29.34 3 0 38.96 -999 ? O1 PO4 G 105 >HIS^D 53 98.41 43.44 33.40 99.59 41.81 34.00 99.00 42.63 33.70 3 0 38.77 -999 ? O1 PO4 G 105 >MET?D 54 97.34 48.79 34.58 98.23 52.26 32.24 97.79 50.53 33.41 2 0 37.60 -999 ? O1 PO4 G 105 >TRP^D 55 96.97 45.68 37.30 93.65 43.59 37.09 95.31 44.63 37.19 3 0 37.89 -999 ? O1 PO4 G 105 >GLY^D 56 93.79 51.42 39.86 93.78 50.61 40.17 93.79 51.02 40.01 1 0 35.40 -999 ? O1 PO4 G 105 >TYR^D 57 95.17 49.34 43.74 95.56 46.75 42.80 95.36 48.04 43.27 3 0 33.02 -999 ? O1 PO4 G 105 >ALA.D 58 92.63 53.90 46.39 91.44 53.60 47.31 92.03 53.75 46.85 2 0 33.02 -999 ? O1 PO4 G 105 >SER~D 59 95.92 53.32 48.27 95.13 52.50 50.43 95.52 52.91 49.35 2 0 28.61 -999 ? O1 PO4 G 105 >LEU~D 60 100.30 51.22 48.53 101.45 51.88 46.78 100.88 51.55 47.65 3 0 25.28 -999 ? O1 PO4 G 105 >ASP~D 61 97.19 49.95 53.02 98.96 50.47 54.08 98.08 50.21 53.55 2 0 24.39 -999 ? O1 PO4 G 105 >ASP~D 62 93.33 49.64 49.13 91.47 48.81 48.64 92.40 49.22 48.88 2 0 33.46 -999 ? O1 PO4 G 105 >ARG~D 63 99.28 47.45 44.48 101.67 45.48 44.58 100.47 46.47 44.53 2 0 28.66 -999 ? O1 PO4 G 105 >ALA~D 64 98.21 44.79 49.41 99.09 45.28 50.57 98.65 45.04 49.99 2 0 27.61 -999 ? O1 PO4 G 105 >ARG~D 66 91.23 46.23 46.51 88.18 46.63 46.08 89.70 46.43 46.29 2 0 37.98 -999 ? O1 PO4 G 105 >ARG~D 67 98.97 43.24 44.05 99.46 41.23 41.77 99.22 42.24 42.91 2 0 33.79 -999 ? O1 PO4 G 105 >GLY~D 68 96.28 39.27 49.32 95.69 39.33 48.73 95.98 39.30 49.03 1 0 33.37 -999 ? O1 PO4 G 105 >LEU~D 70 94.18 38.17 44.14 94.21 37.78 41.95 94.19 37.97 43.05 3 0 38.28 -999 ? O1 PO4 G 105 >ALA~D 71 96.42 34.92 46.18 97.73 35.42 46.80 97.07 35.17 46.49 2 0 35.70 -999 ? O1 PO4 G 105 >GLU~D 72 94.81 34.23 50.89 94.12 35.11 52.70 94.47 34.67 51.80 2 0 36.42 -999 ? O1 PO4 G 105 >ASP~D 73 90.95 33.67 45.03 89.08 33.23 44.15 90.02 33.45 44.59 2 0 44.02 -999 ? O1 PO4 G 105 >GLN~D 74 89.43 26.77 45.32 87.60 25.85 45.89 88.52 26.31 45.60 2 0 48.99 -999 ? O1 PO4 G 105 >ARG~D 75 86.39 30.88 41.00 85.84 33.92 41.29 86.12 32.40 41.14 2 0 47.21 -999 ? O1 PO4 G 105 >TRP~D 76 95.68 34.07 42.07 95.35 35.74 38.54 95.51 34.90 40.30 3 0 40.51 -999 ? O1 PO4 G 105 >GLN~D 77 95.60 29.60 45.43 95.02 29.03 47.40 95.31 29.31 46.42 2 0 41.48 -999 ? O1 PO4 G 105 >ALA~D 78 93.97 26.71 40.31 92.55 26.27 40.22 93.26 26.49 40.26 2 0 47.74 -999 ? O1 PO4 G 105 >PHE~D 79 94.19 31.18 36.11 94.83 32.86 33.96 94.51 32.02 35.03 3 0 45.70 -999 ? O1 PO4 G 105 >ILE~D 80 98.24 31.97 39.51 98.89 32.46 39.39 98.57 32.21 39.45 3 0 40.82 -999 ? O1 PO4 G 105 >PRO~D 81 99.53 27.11 39.73 99.93 28.57 38.06 99.73 27.84 38.90 3 0 43.44 -999 ? O1 PO4 G 105 >ARG~D 82 96.46 25.36 33.42 93.73 26.62 34.10 95.10 25.99 33.76 2 0 49.93 -999 ? O1 PO4 G 105 >LEU~D 83 98.90 32.59 34.10 98.40 34.39 32.98 98.65 33.49 33.54 3 0 43.54 -999 ? O1 PO4 G 105 >SER~D 84 103.03 31.92 35.56 102.21 32.36 37.80 102.62 32.14 36.68 2 0 39.83 -999 ? O1 PO4 G 105 >VAL~D 85 105.02 29.28 33.66 104.63 27.30 32.72 104.83 28.29 33.19 3 0 44.32 -999 ? O1 PO4 G 105 >LEU.D 86 103.18 31.63 29.89 101.97 30.00 29.07 102.57 30.82 29.48 3 0 46.07 -999 ? O1 PO4 G 105 >ILE^D 87 105.44 35.33 33.18 104.60 36.22 33.80 105.02 35.77 33.49 3 0 39.37 -999 ? O1 PO4 G 105 >SER^D 89 110.32 38.11 33.22 111.43 39.40 31.49 110.87 38.75 32.35 2 0 36.83 -999 ? O1 PO4 G 105 >SER^D 90 108.22 40.67 35.01 107.46 39.14 36.79 107.84 39.90 35.90 2 0 34.10 -999 ? O1 PO4 G 105 >GLU^D 91 108.92 45.61 34.80 110.46 46.71 33.84 109.69 46.16 34.32 2 0 31.88 -999 ? O1 PO4 G 105 >ASN^D 92 104.83 46.01 38.95 105.43 45.54 40.94 105.13 45.77 39.94 2 0 28.78 -999 ? O1 PO4 G 105 >ARG^D 93 106.97 51.90 35.95 107.64 51.95 32.94 107.31 51.92 34.44 2 0 32.26 -999 ? O1 PO4 G 105 >ILE^D 94 103.56 52.82 42.56 102.37 52.08 42.83 102.97 52.45 42.69 3 0 26.70 -999 ? O1 PO4 G 105 >LEU^D 95 101.94 55.45 37.66 103.22 54.56 36.16 102.58 55.01 36.91 3 0 30.95 -999 ? O1 PO4 G 105 >LEU^D 96 101.60 59.63 41.75 102.05 58.63 43.64 101.83 59.13 42.70 3 0 26.88 -999 ? O1 PO4 G 105 >PRO^D 97 96.99 59.17 38.74 98.92 60.32 38.67 97.95 59.74 38.70 3 0 32.47 -999 ? O1 PO4 G 105 >THR.D 98 99.43 64.50 37.83 100.39 64.87 35.95 99.91 64.68 36.89 2 0 33.54 -999 ? O1 PO4 G 105 >ASP.D 99 97.01 68.33 39.59 98.34 69.83 38.85 97.67 69.08 39.22 2 0 34.10 -999 ? O1 PO4 G 105 >PHE.D 100 98.62 68.26 34.04 101.29 67.56 33.99 99.95 67.91 34.01 3 0 36.00 -999 ? O1 PO4 G 105 >SER.D 101 95.96 63.84 34.04 96.30 61.44 34.31 96.13 62.64 34.17 2 0 36.91 -999 ? O1 PO4 G 105 >PRO.D 102 93.31 63.48 30.57 93.20 63.16 32.78 93.26 63.32 31.68 3 0 41.08 -999 ? O1 PO4 G 105 >LEU.D 103 93.43 58.37 33.87 93.05 56.39 34.65 93.24 57.38 34.26 3 0 38.91 -999 ? O1 PO4 G 105 >ARG.D 104 93.29 64.65 38.62 91.52 65.78 36.31 92.41 65.22 37.47 2 0 39.49 -999 ? O1 PO4 G 105 >MET?E 1 130.34 42.46 2.64 127.18 45.28 1.86 128.76 43.87 2.25 2 0 61.56 -999 ? O2 PO4 G 105 >ILE^E 2 131.02 43.26 7.31 132.12 43.40 7.75 131.57 43.33 7.53 3 0 56.96 -999 ? O2 PO4 G 105 >VAL^E 3 127.61 46.14 7.77 125.62 46.54 6.99 126.62 46.34 7.38 3 0 55.92 -999 ? O2 PO4 G 105 >GLU^E 4 130.02 49.62 12.31 131.41 51.17 12.31 130.71 50.39 12.31 2 0 50.87 -999 ? O2 PO4 G 105 >GLU^E 5 123.10 49.47 13.50 121.35 48.26 13.92 122.22 48.86 13.71 2 0 48.84 -999 ? O1 PO4 G 105 >ARG^E 6 129.56 54.15 13.18 131.48 54.54 15.59 130.52 54.35 14.39 2 0 47.26 -999 ? O4 PO4 G 105 >ILE^E 7 123.02 52.46 17.93 122.24 51.39 18.05 122.63 51.92 17.99 3 0 44.23 -999 ? O1 PO4 G 105 >TYR^E 8 125.77 58.03 17.62 128.21 57.72 16.24 126.99 57.88 16.93 3 0 45.07 -999 ? O4 PO4 G 105 >ARG^E 9 120.14 58.03 25.38 121.90 59.16 27.66 121.02 58.59 26.52 2 0 34.10 -999 ? O1 PO4 G 105 >ILE^E 10 121.11 63.00 20.05 122.30 63.27 19.24 121.70 63.13 19.65 3 0 42.29 -999 ? O4 PO4 G 105 >GLY.E 12 117.65 66.01 24.83 118.32 66.42 24.59 117.99 66.21 24.71 1 0 37.85 -999 ? O1 PO4 G 105 >GLY.E 13 116.75 68.92 22.56 117.34 68.43 22.31 117.04 68.68 22.43 1 0 40.76 -999 ? O4 PO4 G 105 >LYS~E 14 119.86 68.72 20.39 122.41 72.91 22.99 121.14 70.81 21.69 2 0 41.00 -999 ? O4 PO4 G 105 >MET?E 15 118.52 66.43 17.63 118.59 63.36 16.40 118.56 64.90 17.01 2 0 45.67 -999 ? O1 PO4 G 105 >GLN~E 16 115.47 69.69 14.86 115.31 68.22 13.30 115.39 68.96 14.08 2 0 49.75 -999 ? O1 PO4 G 105 >GLU~E 17 122.84 72.06 17.17 123.28 72.76 19.11 123.06 72.41 18.14 2 0 44.65 -999 ? O4 PO4 G 105 >TYR~E 18 123.33 64.67 15.67 124.60 62.32 14.79 123.96 63.49 15.23 3 0 46.72 -999 ? O4 PO4 G 105 >LEU~E 19 119.77 66.38 11.88 118.70 64.53 12.15 119.24 65.45 12.01 3 0 50.23 -999 ? O4 PO4 G 105 >LYS~E 20 122.16 70.06 10.77 121.44 75.14 9.44 121.80 72.60 10.10 2 0 54.61 -999 ? O4 PO4 G 105 >LEU~E 21 126.48 69.15 12.90 127.35 70.59 14.31 126.92 69.87 13.60 3 0 49.43 -999 ? O4 PO4 G 105 >VAL~E 22 125.82 66.07 9.76 125.45 63.97 10.38 125.64 65.02 10.07 3 0 52.06 -999 ? O4 PO4 G 105 >ARG~E 23 120.16 68.75 5.69 118.70 67.68 8.19 119.43 68.21 6.94 2 0 54.35 -999 ? O4 PO4 G 105 >GLU~E 24 123.68 71.93 6.69 123.22 73.85 7.48 123.45 72.89 7.09 2 0 56.13 -999 ? O4 PO4 G 105 >GLU~E 25 129.64 71.64 8.03 130.36 72.54 9.77 130.00 72.09 8.90 2 0 54.12 -999 ? O4 PO4 G 105 >GLY~E 26 129.73 65.90 8.35 129.42 66.02 7.63 129.57 65.96 7.99 1 0 54.23 -999 ? O4 PO4 G 105 >ILE~E 27 126.77 63.29 5.52 126.53 62.53 5.38 126.65 62.91 5.45 3 0 56.55 -999 ? O4 PO4 G 105 >ALA~E 28 130.17 65.32 2.92 130.12 66.83 2.61 130.14 66.08 2.76 2 0 60.05 -999 ? O4 PO4 G 105 >ILE~E 29 133.95 65.25 6.02 134.70 66.13 6.82 134.32 65.69 6.42 3 0 56.86 -999 ? O4 PO4 G 105 >GLN~E 30 131.61 59.76 8.03 130.30 59.72 9.70 130.96 59.74 8.87 2 0 52.60 -999 ? O4 PO4 G 105 >ALA~E 31 130.91 59.40 3.30 129.57 59.81 2.72 130.24 59.60 3.01 2 0 59.44 -999 ? O4 PO4 G 105 >PRO~E 32 133.02 61.91 0.42 133.04 59.76 1.05 133.03 60.83 0.74 3 0 61.90 -999 ? O4 PO4 G 105 >ILE~E 33 136.80 59.18 4.16 137.81 59.88 4.91 137.30 59.53 4.53 3 0 59.04 -999 ? O4 PO4 G 105 >LEU~E 34 133.21 55.68 5.60 133.70 56.04 7.70 133.45 55.86 6.65 3 0 56.27 -999 ? O4 PO4 G 105 >GLY~E 35 132.97 54.58 1.10 132.37 54.78 1.59 132.67 54.68 1.35 1 0 61.72 -999 ? O4 PO4 G 105 >ASN.E 36 129.72 51.58 1.16 130.71 51.37 -0.73 130.21 51.47 0.21 2 0 63.54 -999 ? O4 PO4 G 105 >LEU^E 37 126.55 56.22 3.62 125.31 57.25 5.04 125.93 56.73 4.33 3 0 57.60 -999 ? O4 PO4 G 105 >ILE^E 38 123.96 50.97 4.23 123.98 49.52 4.16 123.97 50.24 4.20 3 0 58.16 -999 ? O1 PO4 G 105 >GLY^E 39 121.36 54.36 5.68 122.11 54.43 6.03 121.74 54.40 5.85 1 0 56.19 -999 ? O1 PO4 G 105 >TYR^E 40 122.62 59.01 8.78 124.32 60.04 10.74 123.47 59.52 9.76 3 0 52.02 -999 ? O4 PO4 G 105 >PHE^E 41 117.67 54.72 9.55 118.08 53.01 7.42 117.87 53.86 8.48 3 0 53.50 -999 ? O1 PO4 G 105 >VAL^E 42 116.20 58.93 13.39 116.12 61.08 13.68 116.16 60.00 13.54 3 0 48.44 -999 ? O1 PO4 G 105 >THR^E 43 114.07 56.68 15.64 114.62 54.93 16.86 114.34 55.81 16.25 2 0 45.41 -999 ? O1 PO4 G 105 >ASP^E 44 109.57 57.73 14.62 107.79 58.74 14.93 108.68 58.24 14.77 2 0 48.57 -999 ? O1 PO4 G 105 >ILE^E 45 107.82 53.92 17.32 106.30 53.80 17.34 107.06 53.86 17.33 3 0 46.68 -999 ? O1 PO4 G 105 >GLY.E 46 111.38 52.87 20.30 111.27 53.70 20.47 111.33 53.28 20.38 1 0 42.82 -999 ? O1 PO4 G 105 >PRO.E 47 115.44 52.16 21.75 113.93 53.84 21.76 114.69 53.00 21.76 3 0 40.77 -999 ? O1 PO4 G 105 >LEU.E 48 112.78 58.74 21.95 110.76 58.41 21.22 111.77 58.58 21.58 3 0 41.14 -999 ? O1 PO4 G 105 >SER.E 49 116.46 60.77 20.63 117.45 62.78 21.59 116.95 61.77 21.11 2 0 40.54 -999 ? O1 PO4 G 105 >GLN^E 50 118.50 55.29 18.73 117.73 53.33 19.25 118.12 54.31 18.99 2 0 42.87 -999 ? O1 PO4 G 105 >VAL^E 51 120.15 58.12 15.54 121.27 59.81 14.71 120.71 58.97 15.12 3 0 46.61 -999 ? O1 PO4 G 105 >ILE^E 52 120.16 53.78 13.73 119.59 52.65 14.19 119.88 53.22 13.96 3 0 48.03 -999 ? O1 PO4 G 105 >HIS^E 53 125.26 56.59 11.57 126.63 57.25 13.01 125.94 56.92 12.29 3 0 49.65 -999 ? O4 PO4 G 105 >MET?E 54 124.85 51.89 8.73 121.43 49.26 8.68 123.14 50.57 8.70 2 0 53.81 -999 ? O1 PO4 G 105 >TRP^E 55 128.46 53.82 9.26 129.05 56.79 6.77 128.76 55.31 8.02 3 0 54.25 -999 ? O4 PO4 G 105 >GLY^E 56 129.19 48.77 4.43 129.71 49.42 4.60 129.45 49.09 4.51 1 0 58.63 -999 ? O2 PO4 G 105 >TYR^E 57 133.38 48.93 6.17 133.31 51.46 7.33 133.35 50.20 6.75 3 0 56.76 -999 ? O2 PO4 G 105 >ALA.E 58 134.62 44.66 2.39 135.75 44.90 1.40 135.19 44.78 1.90 2 0 63.25 -999 ? O2 PO4 G 105 >SER~E 59 136.24 43.47 5.63 138.69 43.76 5.34 137.46 43.61 5.48 2 0 60.41 -999 ? O2 PO4 G 105 >LEU~E 60 137.05 43.77 10.40 135.16 43.58 11.54 136.10 43.67 10.97 3 0 54.50 -999 ? O2 PO4 G 105 >ASP~E 61 141.53 44.56 7.11 143.50 45.32 6.81 142.51 44.94 6.96 2 0 60.17 -999 ? O2 PO4 G 105 >ASP~E 62 138.15 47.12 4.15 137.45 48.57 2.82 137.80 47.84 3.49 2 0 61.64 -999 ? O2 PO4 G 105 >ARG~E 63 134.46 48.67 10.81 135.02 49.84 13.61 134.74 49.25 12.21 2 0 50.52 -999 ? O2 PO4 G 105 >ALA~E 64 139.89 50.00 10.12 140.79 48.90 10.68 140.34 49.45 10.40 2 0 55.06 -999 ? O2 PO4 G 105 >GLU~E 65 143.49 51.35 5.23 142.91 52.41 3.45 143.20 51.88 4.34 2 0 62.10 -999 ? O4 PO4 G 105 >ARG~E 66 136.88 51.86 3.64 136.59 52.60 0.66 136.73 52.23 2.15 2 0 63.04 -999 ? O4 PO4 G 105 >ARG~E 67 135.46 52.89 11.54 133.94 55.17 12.97 134.70 54.03 12.25 2 0 50.25 -999 ? O4 PO4 G 105 >GLY~E 68 141.87 55.60 10.31 141.35 55.89 9.71 141.61 55.74 10.01 1 0 55.02 -999 ? O4 PO4 G 105 >LYS~E 69 141.88 57.75 7.17 143.23 56.54 1.66 142.55 57.14 4.42 2 0 63.56 -999 ? O4 PO4 G 105 >LEU~E 70 137.44 58.90 8.80 135.61 60.04 8.99 136.53 59.47 8.90 3 0 54.62 -999 ? O4 PO4 G 105 >ALA~E 71 140.48 60.16 11.91 140.96 59.08 12.86 140.72 59.62 12.39 2 0 52.17 -999 ? O4 PO4 G 105 >ASP~E 73 140.13 63.56 7.21 139.60 64.88 5.65 139.87 64.22 6.43 2 0 58.82 -999 ? O4 PO4 G 105 >ARG~E 75 137.48 69.02 4.32 136.82 66.35 2.86 137.15 67.69 3.59 2 0 60.92 -999 ? O4 PO4 G 105 >TRP~E 76 136.65 62.56 11.92 132.83 62.59 10.97 134.74 62.57 11.44 3 0 51.81 -999 ? O4 PO4 G 105 >GLN~E 77 141.25 65.19 13.01 143.38 65.17 12.77 142.32 65.18 12.89 2 0 53.43 -999 ? O4 PO4 G 105 >ALA~E 78 137.73 70.14 13.15 137.96 71.21 12.07 137.84 70.67 12.61 2 0 53.24 -999 ? O4 PO4 G 105 >PHE~E 79 132.24 67.67 11.57 129.58 66.79 11.69 130.91 67.23 11.63 3 0 51.36 -999 ? O4 PO4 G 105 >ILE~E 80 134.68 64.47 15.06 134.31 63.81 15.44 134.49 64.14 15.25 3 0 48.18 -999 ? O4 PO4 G 105 >PRO~E 81 136.45 68.37 17.71 134.38 67.50 17.79 135.41 67.93 17.75 3 0 46.54 -999 ? O4 PO4 G 105 >ARG~E 82 131.86 73.04 15.52 131.73 72.56 12.44 131.79 72.80 13.98 2 0 51.77 -999 ? O4 PO4 G 105 >LEU~E 83 129.45 65.71 15.77 127.87 64.89 14.56 128.66 65.30 15.16 3 0 47.32 -999 ? O4 PO4 G 105 >SER~E 84 130.63 64.70 20.00 132.68 63.59 19.39 131.66 64.14 19.70 2 0 43.69 -999 ? O4 PO4 G 105 >VAL~E 85 129.27 67.22 22.52 129.21 69.42 22.81 129.24 68.32 22.67 3 0 40.58 -999 ? O4 PO4 G 105 >LEU.E 86 125.09 66.84 20.10 124.96 68.97 19.53 125.02 67.90 19.81 3 0 42.83 -999 ? O4 PO4 G 105 >ILE^E 87 127.19 61.80 21.01 127.62 61.03 19.91 127.41 61.42 20.46 3 0 41.61 -999 ? O4 PO4 G 105 >GLU^E 88 123.30 62.65 26.51 124.56 63.28 28.14 123.93 62.97 27.33 2 0 33.88 -999 ? O4 PO4 G 105 >SER^E 89 125.89 57.63 24.48 124.98 55.45 25.06 125.44 56.54 24.77 2 0 37.01 -999 ? O1 PO4 G 105 >SER^E 90 127.02 55.42 21.58 129.30 56.24 21.55 128.16 55.83 21.56 2 0 40.88 -999 ? O4 PO4 G 105 >GLU^E 91 125.09 51.14 21.10 123.77 49.68 21.91 124.43 50.41 21.51 2 0 40.83 -999 ? O1 PO4 G 105 >ASN^E 92 129.19 50.37 16.58 131.19 49.84 17.09 130.19 50.10 16.84 2 0 46.36 -999 ? O2 PO4 G 105 >ARG^E 93 124.36 45.31 16.61 121.52 46.21 17.47 122.94 45.76 17.04 2 0 45.86 -999 ? O1 PO4 G 105 >ILE^E 94 130.47 43.66 12.86 131.08 44.60 11.98 130.77 44.13 12.42 3 0 51.96 -999 ? O2 PO4 G 105 >LEU^E 95 125.07 43.37 10.68 123.72 44.24 12.15 124.40 43.80 11.41 3 0 52.45 -999 ? O2 PO4 G 105 >LEU^E 96 127.50 38.46 8.75 129.64 38.43 9.39 128.57 38.44 9.07 3 0 56.52 -999 ? O2 PO4 G 105 >PRO^E 97 125.21 41.57 4.69 124.69 39.89 6.09 124.95 40.73 5.39 3 0 59.09 -999 ? O2 PO4 G 105 >THR.E 98 122.53 36.29 5.22 120.60 36.27 6.14 121.57 36.28 5.68 2 0 59.76 -999 ? O1 PO4 G 105 >ASP.E 99 123.00 33.30 1.36 121.86 31.66 2.07 122.43 32.48 1.72 2 0 65.24 -999 ? O2 PO4 G 105 >PHE.E 100 117.68 34.63 3.38 117.61 34.26 6.15 117.64 34.45 4.77 3 0 61.80 -999 ? O1 PO4 G 105 >SER.E 101 119.39 39.40 2.39 120.39 41.29 3.52 119.89 40.34 2.95 2 0 60.62 -999 ? O1 PO4 G 105 >PRO.E 102 116.20 41.45 0.10 118.43 41.22 0.04 117.32 41.33 0.07 3 0 64.02 -999 ? O1 PO4 G 105 >LEU.E 103 121.07 44.94 1.82 122.39 46.60 2.21 121.73 45.77 2.02 3 0 61.00 -999 ? O1 PO4 G 105 >ARG.E 104 123.12 38.10 -0.32 121.07 37.42 -2.52 122.09 37.76 -1.42 2 0 67.53 -999 ? O1 PO4 G 105 >MET?F 1 109.07 55.66 3.69 111.92 52.46 2.34 110.50 54.06 3.01 2 0 60.32 -999 ? O1 PO4 G 105 >ILE^F 2 108.33 54.22 8.16 107.57 53.72 8.36 107.95 53.97 8.26 3 0 55.15 -999 ? O1 PO4 G 105 >VAL^F 3 111.82 51.26 8.18 113.86 50.95 7.39 112.84 51.10 7.78 3 0 54.99 -999 ? O1 PO4 G 105 >GLU^F 4 109.56 47.10 12.18 108.03 45.64 12.12 108.79 46.37 12.15 2 0 52.74 -999 ? O1 PO4 G 105 >GLU^F 5 116.47 47.19 13.31 118.13 48.42 13.93 117.30 47.81 13.62 2 0 48.86 -999 ? O1 PO4 G 105 >ARG^F 6 110.05 42.56 12.52 107.91 41.79 14.69 108.98 42.17 13.60 2 0 51.46 -999 ? O1 PO4 G 105 >ILE^F 7 116.77 43.62 17.44 117.20 44.57 17.51 116.99 44.09 17.47 3 0 46.61 -999 ? O1 PO4 G 105 >TYR^F 8 113.94 38.20 16.21 111.48 38.61 14.93 112.71 38.41 15.57 3 0 50.87 -999 ? O1 PO4 G 105 >ARG^F 9 119.64 37.10 23.96 117.87 35.46 25.92 118.75 36.28 24.94 2 0 42.51 -999 ? O2 PO4 G 105 >ILE^F 10 118.52 32.84 17.97 117.40 32.79 17.24 117.96 32.81 17.60 3 0 50.97 -999 ? O2 PO4 G 105 >GLY.F 12 121.99 29.20 22.35 121.32 28.85 22.05 121.66 29.03 22.20 1 0 48.61 -999 ? O2 PO4 G 105 >GLY.F 13 122.89 26.71 19.62 122.31 27.21 19.50 122.60 26.96 19.56 1 0 52.27 -999 ? O2 PO4 G 105 >LYS~F 14 119.79 27.35 17.50 117.83 22.76 19.28 118.81 25.06 18.39 2 0 55.16 -999 ? O2 PO4 G 105 >MET?F 15 121.06 30.00 15.10 120.94 33.23 14.22 121.00 31.62 14.66 2 0 53.57 -999 ? O2 PO4 G 105 >GLN~F 16 124.12 27.25 11.91 124.39 28.81 10.47 124.25 28.03 11.19 2 0 58.93 -999 ? O2 PO4 G 105 >GLU~F 17 116.77 24.30 13.95 116.20 23.36 15.76 116.49 23.83 14.85 2 0 57.76 -999 ? O2 PO4 G 105 >TYR~F 18 116.11 31.88 13.52 114.83 34.34 12.97 115.47 33.11 13.24 3 0 54.85 -999 ? O1 PO4 G 105 >LEU~F 19 119.75 30.61 9.31 120.85 32.45 9.80 120.30 31.53 9.56 3 0 58.53 -999 ? O2 PO4 G 105 >LYS~F 20 117.28 27.20 7.76 116.82 20.87 7.74 117.05 24.03 7.75 2 0 65.65 -999 ? O2 PO4 G 105 >LEU~F 21 113.00 27.85 10.00 112.21 26.16 11.17 112.60 27.01 10.58 3 0 60.47 -999 ? O1 PO4 G 105 >VAL~F 22 113.71 31.34 7.33 113.98 33.28 8.31 113.85 32.31 7.82 3 0 60.21 -999 ? O1 PO4 G 105 >ARG~F 23 119.28 29.23 2.95 120.85 29.75 5.60 120.06 29.49 4.27 2 0 62.84 -999 ? O2 PO4 G 105 >GLU~F 24 115.68 26.03 3.57 116.41 24.08 3.77 116.04 25.06 3.67 2 0 67.38 -999 ? O2 PO4 G 105 >GLU~F 25 109.75 26.14 4.90 108.81 24.94 6.31 109.28 25.54 5.61 2 0 65.73 -999 ? O1 PO4 G 105 >GLY~F 26 109.59 31.66 6.15 109.90 31.62 5.40 109.74 31.64 5.77 1 0 62.61 -999 ? O1 PO4 G 105 >ILE~F 27 112.63 34.53 3.64 112.97 35.32 3.66 112.80 34.93 3.65 3 0 63.08 -999 ? O1 PO4 G 105 >ALA~F 28 109.19 32.94 0.74 109.29 31.51 0.18 109.24 32.22 0.46 2 0 68.06 -999 ? O1 PO4 G 105 >ILE~F 29 105.53 32.61 3.89 104.82 31.66 4.62 105.17 32.14 4.25 3 0 65.01 -999 ? O1 PO4 G 105 >GLN~F 30 107.74 37.68 6.62 109.25 37.51 8.09 108.49 37.59 7.35 2 0 58.64 -999 ? O1 PO4 G 105 >ALA~F 31 108.46 38.75 1.87 109.77 38.36 1.15 109.12 38.55 1.51 2 0 64.70 -999 ? O1 PO4 G 105 >PRO~F 32 106.28 36.68 -1.32 106.28 38.75 -0.39 106.28 37.71 -0.86 3 0 67.44 -999 ? O1 PO4 G 105 >ILE~F 33 102.62 38.89 2.83 101.71 38.02 3.38 102.16 38.46 3.11 3 0 64.60 -999 ? O1 PO4 G 105 >LEU~F 34 106.19 42.06 4.81 105.60 41.47 6.87 105.90 41.77 5.84 3 0 60.13 -999 ? O1 PO4 G 105 >GLY~F 35 106.41 43.84 0.48 107.01 43.65 0.91 106.71 43.75 0.69 1 0 64.54 -999 ? O1 PO4 G 105 >ASN.F 36 109.80 46.82 0.85 111.62 47.84 0.33 110.71 47.33 0.59 2 0 62.94 -999 ? O1 PO4 G 105 >LEU^F 37 112.84 41.75 2.54 113.99 40.53 3.86 113.42 41.14 3.20 3 0 61.41 -999 ? O1 PO4 G 105 >ILE^F 38 115.54 46.89 3.83 115.54 48.34 3.96 115.54 47.61 3.90 3 0 59.03 -999 ? O1 PO4 G 105 >GLY^F 39 118.00 43.42 4.91 117.27 43.26 5.23 117.63 43.34 5.07 1 0 58.78 -999 ? O1 PO4 G 105 >TYR^F 40 116.90 38.36 7.41 115.27 37.02 9.23 116.09 37.69 8.32 3 0 57.41 -999 ? O1 PO4 G 105 >PHE^F 41 121.91 42.51 8.52 121.28 44.52 6.74 121.60 43.51 7.63 3 0 56.07 -999 ? O1 PO4 G 105 >VAL^F 42 123.33 37.96 11.86 123.44 35.75 11.90 123.39 36.86 11.88 3 0 54.18 -999 ? O2 PO4 G 105 >THR^F 43 125.47 39.83 14.41 124.83 41.14 15.97 125.15 40.49 15.19 2 0 48.88 -999 ? O2 PO4 G 105 >ASP^F 44 130.04 39.08 13.07 131.66 37.74 13.06 130.85 38.41 13.07 2 0 53.46 -999 ? O2 PO4 G 105 >ILE^F 45 131.81 42.19 16.52 133.23 42.43 16.53 132.52 42.31 16.52 3 0 48.89 -999 ? O2 PO4 G 105 >GLY.F 46 128.23 42.86 19.55 128.33 41.98 19.57 128.28 42.42 19.56 1 0 45.20 -999 ? O2 PO4 G 105 >PRO.F 47 124.19 43.18 21.06 125.74 41.56 20.86 124.97 42.37 20.96 3 0 43.78 -999 ? O2 PO4 G 105 >LEU.F 48 126.93 36.69 20.29 128.93 37.03 19.57 127.93 36.86 19.93 3 0 47.07 -999 ? O2 PO4 G 105 >SER.F 49 123.12 34.95 18.67 121.78 32.99 19.30 122.45 33.97 18.98 2 0 49.18 -999 ? O2 PO4 G 105 >GLN^F 50 121.00 40.55 17.58 121.73 42.37 18.43 121.37 41.46 18.00 2 0 46.12 -999 ? O1 PO4 G 105 >VAL^F 51 119.45 38.37 13.99 118.19 36.62 13.57 118.82 37.49 13.78 3 0 52.27 -999 ? O1 PO4 G 105 >ILE^F 52 119.37 42.90 12.84 119.84 44.10 13.47 119.60 43.50 13.15 3 0 50.77 -999 ? O1 PO4 G 105 >HIS^F 53 114.29 40.44 10.40 113.02 39.56 11.83 113.66 40.00 11.12 3 0 54.26 -999 ? O1 PO4 G 105 >MET?F 54 114.65 45.46 8.18 118.01 48.08 8.51 116.33 46.77 8.35 2 0 54.24 -999 ? O1 PO4 G 105 >TRP^F 55 111.11 43.38 8.54 110.31 40.74 5.72 110.71 42.06 7.13 3 0 57.82 -999 ? O1 PO4 G 105 >GLY^F 56 110.35 49.05 4.38 109.80 48.40 4.49 110.08 48.72 4.44 1 0 59.01 -999 ? O1 PO4 G 105 >TYR^F 57 106.04 48.67 6.07 106.11 46.04 6.95 106.07 47.35 6.51 3 0 58.17 -999 ? O1 PO4 G 105 >ALA.F 58 105.17 53.40 2.70 104.19 53.32 1.53 104.68 53.36 2.11 2 0 62.64 -999 ? O1 PO4 G 105 >SER~F 59 103.28 54.07 5.94 100.97 53.95 5.22 102.13 54.01 5.58 2 0 60.04 -999 ? O1 PO4 G 105 >LEU~F 60 102.63 53.35 10.64 104.40 53.41 11.88 103.51 53.38 11.26 3 0 53.56 -999 ? O1 PO4 G 105 >ASP~F 61 97.79 52.99 7.98 97.06 54.22 9.57 97.42 53.61 8.77 2 0 57.44 -999 ? O1 PO4 G 105 >ASP~F 62 100.95 50.58 4.23 101.18 49.08 2.72 101.07 49.83 3.47 2 0 62.85 -999 ? O1 PO4 G 105 >ARG~F 63 105.22 47.85 10.60 104.49 46.94 13.45 104.85 47.40 12.02 2 0 52.18 -999 ? O1 PO4 G 105 >ALA~F 64 99.52 47.21 9.93 98.60 48.19 10.70 99.06 47.70 10.31 2 0 56.54 -999 ? O1 PO4 G 105 >ARG~F 66 102.18 46.03 3.00 102.61 45.59 -0.04 102.40 45.81 1.48 2 0 65.61 -999 ? O1 PO4 G 105 >ARG~F 67 104.26 44.09 10.98 105.28 41.42 12.14 104.77 42.76 11.56 2 0 54.60 -999 ? O1 PO4 G 105 >GLY~F 68 97.68 41.62 9.62 98.17 41.42 8.98 97.93 41.51 9.30 1 0 59.37 -999 ? O1 PO4 G 105 >LYS~F 69 97.58 39.85 6.24 96.08 43.17 1.00 96.83 41.51 3.62 2 0 67.27 -999 ? O1 PO4 G 105 >LEU~F 70 101.99 38.49 7.61 103.97 37.61 7.72 102.98 38.05 7.67 3 0 60.38 -999 ? O1 PO4 G 105 >ALA~F 71 99.18 36.76 10.47 98.86 37.70 11.63 99.01 37.23 11.05 2 0 58.41 -999 ? O1 PO4 G 105 >GLU~F 72 94.14 36.99 9.37 92.63 38.29 8.61 93.39 37.64 8.99 2 0 63.33 -999 ? O1 PO4 G 105 >ASP~F 73 99.26 34.04 5.34 99.93 32.72 3.86 99.59 33.38 4.60 2 0 66.58 -999 ? O1 PO4 G 105 >ARG~F 75 101.88 28.95 1.92 102.68 31.69 0.71 102.28 30.32 1.31 2 0 68.95 -999 ? O1 PO4 G 105 >TRP~F 76 102.83 34.52 10.07 106.67 34.62 9.14 104.75 34.57 9.61 3 0 59.44 -999 ? O1 PO4 G 105 >GLN~F 77 98.21 31.37 11.00 96.12 31.34 10.61 97.17 31.36 10.80 2 0 62.80 -999 ? O1 PO4 G 105 >ALA~F 78 101.82 26.65 10.35 101.56 25.78 9.13 101.69 26.21 9.74 2 0 64.72 -999 ? O1 PO4 G 105 >PHE~F 79 107.21 29.39 9.04 109.87 30.20 9.20 108.54 29.80 9.12 3 0 61.03 -999 ? O1 PO4 G 105 >ILE~F 80 104.80 32.05 12.99 105.16 32.60 13.45 104.98 32.33 13.22 3 0 57.21 -999 ? O1 PO4 G 105 >PRO~F 81 103.10 27.91 15.19 105.19 28.73 15.28 104.15 28.32 15.23 3 0 57.73 -999 ? O1 PO4 G 105 >ARG~F 82 107.65 23.50 12.27 108.21 24.16 9.28 107.93 23.83 10.78 2 0 63.78 -999 ? O1 PO4 G 105 >LEU~F 83 110.11 30.85 13.48 111.72 31.94 12.43 110.91 31.40 12.95 3 0 56.53 -999 ? O1 PO4 G 105 >SER~F 84 108.99 31.13 17.73 106.92 32.19 17.07 107.95 31.66 17.40 2 0 53.51 -999 ? O1 PO4 G 105 >VAL~F 85 110.21 28.32 20.01 110.32 26.12 19.86 110.26 27.22 19.94 3 0 53.08 -999 ? O1 PO4 G 105 >LEU.F 86 114.36 29.02 17.60 114.52 27.02 16.68 114.44 28.02 17.14 3 0 54.22 -999 ? O1 PO4 G 105 >ILE^F 87 112.43 33.91 19.23 112.07 34.85 18.18 112.25 34.38 18.71 3 0 49.92 -999 ? O1 PO4 G 105 >GLU^F 88 116.49 32.50 24.11 115.78 31.15 25.61 116.14 31.83 24.86 2 0 45.38 -999 ? O2 PO4 G 105 >SER^F 89 113.78 37.62 23.20 114.38 39.52 24.58 114.08 38.57 23.89 2 0 42.07 -999 ? O1 PO4 G 105 >SER^F 90 112.55 40.10 20.58 110.20 39.35 20.44 111.38 39.72 20.51 2 0 46.61 -999 ? O1 PO4 G 105 >GLU^F 91 114.27 44.75 20.59 115.24 46.28 21.68 114.75 45.51 21.13 2 0 42.16 -999 ? O1 PO4 G 105 >ASN^F 92 110.35 45.83 16.26 108.37 46.39 16.87 109.36 46.11 16.57 2 0 48.02 -999 ? O1 PO4 G 105 >ARG^F 93 115.26 50.87 17.03 118.05 49.71 17.78 116.66 50.29 17.41 2 0 44.84 -999 ? O1 PO4 G 105 >ILE^F 94 109.00 53.06 13.68 108.35 52.38 12.59 108.68 52.72 13.14 3 0 50.38 -999 ? O1 PO4 G 105 >LEU^F 95 114.48 53.46 11.43 115.75 52.35 12.77 115.11 52.90 12.10 3 0 50.24 -999 ? O1 PO4 G 105 >LEU^F 96 111.92 58.63 10.25 109.78 58.64 10.84 110.85 58.64 10.54 3 0 52.14 -999 ? O1 PO4 G 105 >PRO^F 97 113.99 56.38 5.73 114.73 57.71 7.41 114.36 57.04 6.57 3 0 55.55 -999 ? O1 PO4 G 105 >THR.F 98 117.05 61.31 6.91 119.01 61.14 7.81 118.03 61.22 7.36 2 0 54.02 -999 ? O1 PO4 G 105 >ASP.F 99 116.62 64.74 3.35 117.78 66.18 4.44 117.20 65.46 3.90 2 0 57.91 -999 ? O1 PO4 G 105 >PHE.F 100 121.86 63.04 5.29 121.91 63.23 8.09 121.89 63.14 6.69 3 0 55.21 -999 ? O4 PO4 G 105 >SER.F 101 120.06 58.39 3.76 119.03 56.42 4.79 119.55 57.40 4.27 2 0 57.00 -999 ? O1 PO4 G 105 >PRO.F 102 122.99 56.31 1.20 120.78 56.69 1.25 121.89 56.50 1.23 3 0 60.54 -999 ? O1 PO4 G 105 >LEU.F 103 118.21 52.95 2.96 118.37 50.82 2.70 118.29 51.89 2.83 3 0 59.29 -999 ? O1 PO4 G 105 >ARG.F 104 115.54 60.05 0.74 118.05 60.84 -0.87 116.79 60.44 -0.07 2 0 62.72 -999 ? O1 PO4 G 105 >HIS.G 0 134.98 50.50 59.34 135.90 52.18 60.20 135.44 51.34 59.77 3 0 13.95 -999 ? O2 PO4 G 105 >MET?G 1 132.12 45.51 58.45 127.98 44.70 59.30 130.05 45.10 58.87 2 0 13.70 -999 ? O2 PO4 G 105 >ILE^G 2 132.40 44.50 53.71 132.95 43.77 53.32 132.67 44.13 53.51 3 0 18.36 -999 ? O2 PO4 G 105 >VAL^G 3 127.93 43.91 53.29 126.01 44.57 54.09 126.97 44.24 53.69 3 0 15.91 -999 ? O2 PO4 G 105 >GLU^G 4 127.68 39.75 48.72 128.17 37.73 48.58 127.93 38.74 48.65 2 0 24.23 -999 ? O2 PO4 G 105 >GLU^G 5 121.94 43.45 47.63 121.13 45.43 47.41 121.53 44.44 47.52 2 0 18.88 -999 ? O2 PO4 G 105 >ARG^G 6 125.06 35.99 47.75 126.68 34.67 45.46 125.87 35.33 46.61 2 0 28.21 -999 ? O2 PO4 G 105 >ILE^G 7 120.18 40.89 43.24 119.99 42.21 43.12 120.08 41.55 43.18 3 0 24.70 -999 ? O2 PO4 G 105 >TYR^G 8 119.64 34.78 43.49 121.82 33.77 44.97 120.73 34.28 44.23 3 0 29.12 -999 ? O2 PO4 G 105 >ARG^G 9 114.67 38.11 35.87 115.36 36.28 33.49 115.01 37.19 34.68 2 0 36.16 -999 ? O1 PO4 G 105 >ILE^G 10 113.01 33.18 41.21 113.83 32.31 41.92 113.42 32.74 41.57 3 0 33.30 -999 ? O2 PO4 G 105 >GLY.G 12 108.36 32.45 36.52 108.70 31.70 36.69 108.53 32.07 36.61 1 0 38.12 -999 ? O1 PO4 G 105 >GLY.G 13 106.08 30.33 38.72 106.85 30.46 38.91 106.46 30.39 38.82 1 0 39.03 -999 ? O1 PO4 G 105 >LYS~G 14 108.97 29.00 40.82 107.24 25.38 38.50 108.10 27.19 39.66 2 0 42.44 -999 ? O1 PO4 G 105 >MET?G 15 109.14 31.56 43.70 110.74 34.16 45.02 109.94 32.86 44.36 2 0 30.96 -999 ? O1 PO4 G 105 >GLN~G 16 104.84 30.47 46.57 105.28 31.61 48.33 105.06 31.04 47.45 2 0 33.58 -999 ? O1 PO4 G 105 >GLU~G 17 109.44 24.42 43.90 109.74 23.70 41.92 109.59 24.06 42.91 2 0 41.24 -999 ? O2 PO4 G 105 >TYR~G 18 114.06 30.63 45.54 116.46 31.80 46.35 115.26 31.22 45.94 3 0 31.51 -999 ? O2 PO4 G 105 >LEU~G 19 110.22 30.85 49.56 110.32 33.00 49.24 110.27 31.93 49.40 3 0 30.88 -999 ? O1 PO4 G 105 >LYS~G 20 110.32 26.41 50.48 107.49 22.02 51.52 108.91 24.21 51.00 2 0 39.81 -999 ? O2 PO4 G 105 >LEU~G 21 114.43 24.99 48.33 114.37 23.35 46.86 114.40 24.17 47.60 3 0 37.03 -999 ? O2 PO4 G 105 >VAL~G 22 115.57 27.95 51.51 116.38 29.88 50.82 115.98 28.91 51.17 3 0 31.07 -999 ? O2 PO4 G 105 >ARG~G 23 109.36 28.52 55.40 108.49 30.23 52.96 108.92 29.37 54.18 2 0 31.80 -999 ? O1 PO4 G 105 >GLU~G 24 110.69 23.84 54.50 109.31 22.38 53.79 110.00 23.11 54.14 2 0 38.27 -999 ? O2 PO4 G 105 >GLU~G 25 115.91 21.13 53.22 116.05 19.84 51.56 115.98 20.48 52.39 2 0 39.37 -999 ? O2 PO4 G 105 >GLY~G 26 118.99 25.96 52.73 118.69 25.97 53.46 118.84 25.96 53.10 1 0 32.80 -999 ? O2 PO4 G 105 >ILE~G 27 118.01 29.67 55.75 118.18 30.46 55.90 118.09 30.07 55.82 3 0 28.21 -999 ? O2 PO4 G 105 >ALA~G 28 119.94 26.29 58.28 119.10 25.12 58.74 119.52 25.70 58.51 2 0 32.42 -999 ? O2 PO4 G 105 >ILE~G 29 123.00 24.31 54.94 123.18 23.26 54.01 123.09 23.79 54.48 3 0 34.21 -999 ? O2 PO4 G 105 >GLN~G 30 123.94 30.10 53.08 122.68 30.97 51.58 123.31 30.54 52.33 2 0 28.20 -999 ? O2 PO4 G 105 >ALA~G 31 123.49 31.03 57.85 122.12 31.34 58.49 122.80 31.19 58.17 2 0 26.07 -999 ? O2 PO4 G 105 >PRO~G 32 124.17 27.69 60.58 125.24 29.55 59.98 124.71 28.62 60.28 3 0 28.63 -999 ? O2 PO4 G 105 >ILE~G 33 128.66 28.04 56.81 129.12 26.84 56.17 128.89 27.44 56.49 3 0 30.80 -999 ? O2 PO4 G 105 >LEU~G 34 127.44 32.98 55.40 127.67 32.26 53.32 127.55 32.62 54.36 3 0 26.11 -999 ? O2 PO4 G 105 >GLY~G 35 127.69 33.89 59.99 127.19 34.19 59.48 127.44 34.04 59.73 1 0 23.81 -999 ? O2 PO4 G 105 >ASN.G 36 126.79 38.23 59.89 125.96 40.11 60.53 126.37 39.17 60.21 2 0 17.35 -999 ? O2 PO4 G 105 >LEU^G 37 121.45 35.95 57.69 119.89 35.69 56.18 120.67 35.82 56.93 3 0 22.06 -999 ? O2 PO4 G 105 >ILE^G 38 121.89 41.81 56.79 122.53 42.74 57.71 122.21 42.27 57.25 3 0 15.65 -999 ? O2 PO4 G 105 >GLY^G 39 118.02 40.21 55.62 118.60 39.77 55.25 118.31 39.99 55.43 1 0 18.80 -999 ? O2 PO4 G 105 >TYR^G 40 116.60 35.63 52.45 117.37 33.77 50.49 116.98 34.70 51.47 3 0 25.55 -999 ? O2 PO4 G 105 >PHE^G 41 114.56 41.78 51.82 115.91 42.96 53.96 115.23 42.37 52.89 3 0 18.97 -999 ? O1 PO4 G 105 >VAL^G 42 111.14 39.10 47.97 109.98 37.27 47.67 110.56 38.19 47.82 3 0 26.44 -999 ? O1 PO4 G 105 >THR^G 43 110.34 42.14 45.81 111.63 43.37 44.59 110.99 42.76 45.20 2 0 24.45 -999 ? O1 PO4 G 105 >ASP^G 44 106.00 43.61 47.01 103.91 43.94 46.77 104.96 43.77 46.89 2 0 26.68 -999 ? O1 PO4 G 105 >ILE^G 45 106.40 47.76 44.21 105.28 48.67 44.33 105.84 48.21 44.27 3 0 25.07 -999 ? O1 PO4 G 105 >GLY.G 46 110.00 46.82 41.30 109.49 46.17 41.09 109.75 46.49 41.19 1 0 25.76 -999 ? O1 PO4 G 105 >PRO.G 47 113.88 45.25 39.83 111.66 44.69 39.75 112.77 44.97 39.79 3 0 26.85 -999 ? O1 PO4 G 105 >LEU.G 48 108.12 41.10 39.48 106.65 42.42 40.34 107.38 41.76 39.91 3 0 30.43 -999 ? O1 PO4 G 105 >SER.G 49 110.23 37.38 40.73 109.56 35.28 39.70 109.89 36.33 40.21 2 0 33.72 -999 ? O1 PO4 G 105 >GLN^G 50 114.93 40.87 42.59 115.34 42.95 42.15 115.14 41.91 42.37 2 0 25.41 -999 ? O1 PO4 G 105 >VAL^G 51 114.89 37.59 45.71 114.78 35.61 46.54 114.84 36.60 46.12 3 0 27.27 -999 ? O2 PO4 G 105 >ILE^G 52 117.18 41.25 47.72 117.41 42.58 47.29 117.30 41.92 47.51 3 0 21.85 -999 ? O2 PO4 G 105 >HIS^G 53 120.12 36.23 49.73 120.81 34.91 48.25 120.46 35.57 48.99 3 0 25.37 -999 ? O2 PO4 G 105 >MET?G 54 122.26 40.39 52.57 120.91 44.35 52.53 121.59 42.37 52.55 2 0 16.11 -999 ? O2 PO4 G 105 >TRP^G 55 124.30 37.00 52.01 123.24 34.14 54.46 123.77 35.57 53.23 3 0 23.34 -999 ? O2 PO4 G 105 >GLY^G 56 127.61 40.92 56.77 127.71 40.11 56.59 127.66 40.51 56.68 1 0 17.69 -999 ? O2 PO4 G 105 >TYR^G 57 131.07 38.44 55.01 129.65 36.32 53.83 130.36 37.38 54.42 3 0 22.45 -999 ? O2 PO4 G 105 >ALA.G 58 134.36 41.59 58.70 135.10 40.88 59.82 134.73 41.23 59.26 2 0 20.40 -999 ? O2 PO4 G 105 >SER~G 59 136.58 41.34 55.56 138.43 39.73 55.54 137.50 40.54 55.55 2 0 24.18 -999 ? O2 PO4 G 105 >LEU~G 60 136.92 40.93 50.68 135.61 42.14 49.42 136.27 41.54 50.05 3 0 23.78 -999 ? O2 PO4 G 105 >ASP~G 61 140.43 37.72 53.44 141.90 38.24 52.00 141.16 37.98 52.72 2 0 28.59 -999 ? O2 PO4 G 105 >ASP~G 62 136.56 37.12 56.96 135.21 36.13 58.23 135.88 36.62 57.60 2 0 24.61 -999 ? O2 PO4 G 105 >ARG~G 63 132.14 38.17 50.34 132.02 36.96 47.51 132.08 37.56 48.93 2 0 26.50 -999 ? O2 PO4 G 105 >ALA~G 64 136.18 34.22 50.87 137.46 34.73 50.22 136.82 34.47 50.54 2 0 29.22 -999 ? O2 PO4 G 105 >GLU~G 65 137.89 30.88 55.92 139.73 30.83 57.00 138.81 30.86 56.46 2 0 31.60 -999 ? O2 PO4 G 105 >ARG~G 66 132.47 33.94 57.43 132.09 33.23 60.41 132.28 33.58 58.92 2 0 25.64 -999 ? O2 PO4 G 105 >ARG~G 67 130.22 33.69 50.02 127.94 32.85 48.15 129.08 33.27 49.08 2 0 28.45 -999 ? O2 PO4 G 105 >GLY~G 68 134.89 28.39 50.69 134.26 28.38 51.25 134.58 28.39 50.97 1 0 33.14 -999 ? O2 PO4 G 105 >LEU~G 70 129.36 28.15 52.13 127.16 28.26 51.90 128.26 28.20 52.01 3 0 31.10 -999 ? O2 PO4 G 105 >ALA~G 71 131.01 25.51 48.99 132.04 26.17 48.06 131.53 25.84 48.53 2 0 35.19 -999 ? O2 PO4 G 105 >GLU~G 72 135.32 23.11 50.43 137.08 23.44 51.57 136.20 23.28 51.00 2 0 38.02 -999 ? O2 PO4 G 105 >ASP~G 73 129.14 22.55 53.63 127.60 21.61 54.74 128.37 22.08 54.19 2 0 36.57 -999 ? O2 PO4 G 105 >GLN~G 74 130.41 16.60 52.04 130.89 15.27 50.43 130.65 15.93 51.23 2 0 44.18 -999 ? O2 PO4 G 105 >ARG~G 75 124.15 19.03 56.51 124.37 21.71 58.07 124.26 20.37 57.29 2 0 35.68 -999 ? O2 PO4 G 105 >TRP~G 76 126.85 25.16 49.33 123.52 27.10 50.08 125.19 26.13 49.71 3 0 33.47 -999 ? O2 PO4 G 105 >GLN~G 77 129.11 20.41 47.64 130.91 19.29 47.85 130.01 19.85 47.74 2 0 41.21 -999 ? O2 PO4 G 105 >ALA~G 78 123.48 18.30 47.66 123.17 17.23 48.72 123.32 17.76 48.19 2 0 42.10 -999 ? O2 PO4 G 105 >PHE~G 79 120.15 23.24 49.47 118.22 25.25 49.42 119.18 24.24 49.44 3 0 35.45 -999 ? O2 PO4 G 105 >ILE~G 80 123.90 24.64 45.92 123.96 25.36 45.49 123.93 25.00 45.70 3 0 36.09 -999 ? O2 PO4 G 105 >PRO~G 81 123.44 20.47 43.14 122.10 22.27 43.15 122.77 21.37 43.14 3 0 40.49 -999 ? O2 PO4 G 105 >ARG~G 82 116.90 18.91 45.46 116.83 19.32 48.53 116.86 19.11 46.99 2 0 40.65 -999 ? O2 PO4 G 105 >LEU~G 83 118.67 26.39 45.35 117.79 28.07 46.40 118.23 27.23 45.87 3 0 34.36 -999 ? O2 PO4 G 105 >SER~G 84 120.09 26.63 41.18 122.34 26.60 42.03 121.21 26.62 41.60 2 0 36.56 -999 ? O2 PO4 G 105 >VAL~G 85 117.78 25.04 38.62 116.53 23.26 38.50 117.16 24.15 38.56 3 0 40.95 -999 ? O2 PO4 G 105 >LEU.G 86 114.40 27.58 40.98 113.26 25.86 41.67 113.83 26.72 41.33 3 0 37.96 -999 ? O2 PO4 G 105 >ILE^G 87 118.72 30.80 40.08 119.50 31.25 41.15 119.11 31.02 40.62 3 0 34.05 -999 ? O2 PO4 G 105 >GLU^G 88 115.63 33.15 33.97 114.93 31.23 33.26 115.28 32.19 33.61 2 0 39.61 -999 ? O2 PO4 G 105 >SER^G 89 119.89 35.04 36.77 118.64 37.04 36.08 119.26 36.04 36.42 2 0 33.18 -999 ? O2 PO4 G 105 >SER^G 90 122.08 36.27 39.65 123.58 34.39 39.70 122.83 35.33 39.67 2 0 31.94 -999 ? O2 PO4 G 105 >GLU^G 91 122.78 41.07 40.31 122.54 42.95 39.34 122.66 42.01 39.83 2 0 26.84 -999 ? O2 PO4 G 105 >ASN^G 92 126.86 39.33 44.51 128.71 38.66 43.72 127.79 39.00 44.12 2 0 26.70 -999 ? O2 PO4 G 105 >ARG^G 93 125.17 46.24 44.37 122.20 46.82 43.69 123.69 46.53 44.03 2 0 21.14 -999 ? O2 PO4 G 105 >ILE^G 94 131.46 44.43 47.92 131.62 43.36 48.85 131.54 43.89 48.39 3 0 20.91 -999 ? O2 PO4 G 105 >LEU^G 95 127.06 47.50 50.20 125.42 47.33 48.77 126.24 47.42 49.49 3 0 16.27 -999 ? O2 PO4 G 105 >LEU^G 96 131.71 50.50 51.96 133.62 49.52 51.48 132.66 50.01 51.72 3 0 15.90 -999 ? O2 PO4 G 105 >PRO^G 97 128.30 49.08 56.12 128.63 50.75 54.69 128.47 49.91 55.40 3 0 11.29 -999 ? O2 PO4 G 105 >THR.G 98 128.60 54.93 55.57 126.98 56.05 54.76 127.79 55.49 55.16 2 0 8.45 -999 ? O2 PO4 G 105 >ASP.G 99 131.18 57.02 59.08 130.75 59.02 58.43 130.96 58.02 58.75 2 0 8.61 -999 ? O4 PO4 G 105 >PHE.G 100 125.82 58.84 57.80 125.46 59.24 55.03 125.64 59.04 56.42 3 0 -6.08 -999 ? O4 PO4 G 105s >SER.G 101 124.57 54.06 58.58 124.15 51.93 57.50 124.36 53.00 58.04 2 0 7.05 -999 ? O2 PO4 G 105 >PRO.G 102 120.92 53.65 61.03 123.01 52.85 61.00 121.96 53.25 61.01 3 0 4.16 -999 ? O2 PO4 G 105 >LEU.G 103 123.13 48.31 59.13 123.27 46.15 58.93 123.20 47.23 59.03 3 0 10.38 -999 ? O2 PO4 G 105 >ARG.G 104 128.56 52.99 61.36 127.10 54.37 63.70 127.83 53.68 62.53 2 0 5.21 -999 ? O2 PO4 G 105 >MET?H 1 107.06 45.82 58.07 111.10 46.86 59.22 109.08 46.34 58.64 2 0 15.13 -999 ? O1 PO4 G 105 >ILE^H 2 107.04 47.14 53.44 106.63 47.91 53.16 106.83 47.52 53.30 3 0 19.49 -999 ? O1 PO4 G 105 >VAL^H 3 111.51 47.70 53.26 113.42 46.74 53.89 112.46 47.22 53.58 3 0 16.02 -999 ? O1 PO4 G 105 >GLU^H 4 111.77 52.47 49.42 111.33 54.48 49.62 111.55 53.48 49.52 2 0 15.81 -999 ? O1 PO4 G 105 >GLU^H 5 117.51 48.82 47.91 118.33 46.94 47.39 117.92 47.88 47.65 2 0 18.40 -999 ? O1 PO4 G 105 >ARG^H 6 114.63 56.14 48.81 113.21 57.93 46.75 113.92 57.04 47.78 2 0 16.79 -999 ? O1 PO4 G 105 >ILE^H 7 119.48 51.74 43.85 119.53 50.52 43.66 119.50 51.13 43.76 3 0 19.36 -999 ? O1 PO4 G 105 >TYR^H 8 119.99 57.90 44.85 117.75 58.72 46.26 118.87 58.31 45.56 3 0 16.29 -999 ? O1 PO4 G 105 >ILE^H 10 126.85 59.82 42.90 126.02 60.47 43.74 126.44 60.15 43.32 3 0 18.81 -999 ? O4 PO4 G 105 >GLY.H 12 131.32 61.16 38.52 130.98 61.86 38.78 131.15 61.51 38.65 1 0 24.81 -999 ? O4 PO4 G 105 >GLY.H 13 133.59 62.83 41.06 132.82 62.72 41.23 133.21 62.78 41.14 1 0 23.56 -999 ? O4 PO4 G 105 >LYS~H 14 130.73 63.99 43.31 130.76 68.99 40.80 130.75 66.49 42.06 2 0 24.31 -999 ? O4 PO4 G 105 >MET?H 15 130.48 61.05 45.76 128.86 58.29 46.68 129.67 59.67 46.22 2 0 16.31 -999 ? O4 PO4 G 105 >GLN~H 16 134.80 61.91 48.71 134.14 60.40 50.09 134.47 61.16 49.40 2 0 16.28 -999 ? O4 PO4 G 105 >GLU~H 17 129.64 68.02 46.96 129.78 69.12 45.18 129.71 68.57 46.07 2 0 20.36 -999 ? O4 PO4 G 105 >TYR~H 18 125.53 62.03 47.57 123.17 60.69 48.19 124.35 61.36 47.88 3 0 14.08 -999 ? O4 PO4 G 105 >LEU~H 19 129.16 61.15 51.64 129.11 59.11 50.94 129.14 60.13 51.29 3 0 12.24 -999 ? O4 PO4 G 105 >LYS~H 20 129.29 65.37 53.10 132.15 70.81 53.83 130.72 68.09 53.46 2 0 16.60 -999 ? O4 PO4 G 105 >LEU~H 21 125.23 67.21 51.01 125.22 69.12 49.85 125.22 68.17 50.43 3 0 14.41 -999 ? O4 PO4 G 105 >VAL~H 22 123.93 63.94 53.72 123.17 62.12 52.74 123.55 63.03 53.23 3 0 9.24 -999 ? O4 PO4 G 105 >ARG~H 23 129.97 62.79 57.84 130.86 61.42 55.18 130.41 62.11 56.51 2 0 10.55 -999 ? O4 PO4 G 105 >GLU~H 24 128.70 67.17 57.63 130.37 68.33 57.03 129.53 67.75 57.33 2 0 12.47 -999 ? O4 PO4 G 105 >GLU~H 25 122.14 70.69 56.24 121.75 71.84 54.45 121.94 71.26 55.34 2 0 14.30 -999 ? O4 PO4 G 105 >GLY~H 26 120.44 65.82 55.09 120.72 65.67 55.83 120.58 65.75 55.46 1 0 9.43 -999 ? O4 PO4 G 105 >ILE~H 27 121.33 61.69 57.50 121.21 60.90 57.51 121.27 61.30 57.50 3 0 4.85 -999 ? O4 PO4 G 105 >ALA~H 28 119.32 64.79 60.44 120.18 65.87 61.08 119.75 65.33 60.76 2 0 6.84 -999 ? O4 PO4 G 105 >ILE~H 29 116.30 67.07 57.34 116.25 68.21 56.63 116.27 67.64 56.98 3 0 11.43 -999 ? O4 PO4 G 105 >GLN~H 30 115.71 61.42 54.65 116.93 60.86 53.03 116.32 61.14 53.84 2 0 9.88 -999 ? O1 PO4 G 105 >ALA~H 31 115.80 60.19 59.23 117.15 59.70 59.78 116.48 59.95 59.51 2 0 4.39 -999 ? O1 PO4 G 105 >PRO~H 32 115.27 63.05 62.52 114.11 61.46 61.53 114.69 62.25 62.02 3 0 7.32 -999 ? O1 PO4 G 105 >ILE~H 33 110.71 63.30 58.46 110.23 64.56 57.93 110.47 63.93 58.20 3 0 12.31 -999 ? O1 PO4 G 105 >LEU~H 34 111.97 58.47 56.60 111.69 59.40 54.61 111.83 58.94 55.60 3 0 10.87 -999 ? O1 PO4 G 105 >GLY~H 35 111.52 56.99 61.03 112.05 56.81 60.52 111.78 56.90 60.77 1 0 9.37 -999 ? O1 PO4 G 105 >ASN.H 36 112.56 52.70 60.39 113.42 50.78 60.84 112.99 51.74 60.61 2 0 10.50 -999 ? O1 PO4 G 105 >LEU^H 37 117.84 55.26 58.42 119.52 55.53 57.00 118.68 55.40 57.71 3 0 5.34 -999 ? O1 PO4 G 105 >ILE^H 38 117.47 49.45 57.11 116.82 48.33 57.83 117.15 48.89 57.47 3 0 10.87 -999 ? O1 PO4 G 105 >GLY^H 39 121.27 51.30 56.27 120.72 51.75 55.90 120.99 51.53 56.08 1 0 8.44 -999 ? O2 PO4 G 105 >TYR^H 40 122.83 56.15 53.69 122.02 58.19 51.95 122.43 57.17 52.82 3 0 9.12 -999 ? O1 PO4 G 105 >PHE^H 41 124.78 49.95 52.36 123.21 48.53 54.21 123.99 49.24 53.29 3 0 11.89 -999 ? O2 PO4 G 105 >VAL^H 42 128.39 53.05 49.01 129.51 54.89 48.83 128.95 53.97 48.92 3 0 14.83 -999 ? O2 PO4 G 105 >THR^H 43 129.16 50.36 46.41 127.79 49.50 44.96 128.47 49.93 45.68 2 0 19.39 -999 ? O2 PO4 G 105 >ASP^H 44 133.49 48.69 47.59 135.60 48.56 47.39 134.54 48.63 47.49 2 0 21.21 -999 ? O2 PO4 G 105 >ILE^H 45 133.10 44.99 44.24 134.19 44.01 44.25 133.65 44.50 44.24 3 0 24.35 -999 ? O2 PO4 G 105 >GLY.H 46 129.50 46.22 41.38 130.08 46.84 41.29 129.79 46.53 41.33 1 0 24.33 -999 ? O2 PO4 G 105 >PRO.H 47 125.79 48.11 40.08 128.01 48.62 40.10 126.90 48.37 40.09 3 0 24.03 -999 ? O2 PO4 G 105 >LEU.H 48 131.62 52.21 40.47 133.15 50.85 41.14 132.39 51.53 40.81 3 0 23.97 -999 ? O2 PO4 G 105 >SER.H 49 129.45 55.65 42.05 129.74 57.92 41.23 129.59 56.79 41.64 2 0 21.74 -999 ? O4 PO4 G 105 >GLN^H 50 124.64 52.18 43.39 124.34 50.16 42.73 124.49 51.17 43.06 2 0 20.66 -999 ? O2 PO4 G 105 >VAL^H 51 124.59 54.76 46.92 124.58 56.91 47.34 124.59 55.83 47.13 3 0 15.14 -999 ? O2 PO4 G 105 >ILE^H 52 122.27 51.01 48.28 122.18 49.76 47.70 122.23 50.39 47.99 3 0 15.68 -999 ? O2 PO4 G 105 >HIS^H 53 119.20 55.86 50.70 118.88 57.24 49.15 119.04 56.55 49.92 3 0 12.05 -999 ? O1 PO4 G 105 >MET?H 54 117.05 51.28 53.00 118.48 47.33 52.50 117.77 49.31 52.75 2 0 14.45 -999 ? O1 PO4 G 105 >TRP^H 55 115.04 54.89 52.68 116.12 57.43 55.44 115.58 56.16 54.06 3 0 9.49 -999 ? O1 PO4 G 105 >GLY^H 56 111.75 50.56 57.09 111.60 51.39 56.94 111.68 50.97 57.01 1 0 12.72 -999 ? O1 PO4 G 105 >TYR^H 57 108.24 53.07 55.40 109.68 55.31 54.51 108.96 54.19 54.95 3 0 14.21 -999 ? O1 PO4 G 105 >ALA.H 58 105.05 49.76 58.94 104.25 50.44 60.03 104.65 50.10 59.49 2 0 18.35 -999 ? O1 PO4 G 105 >SER~H 59 103.03 49.99 55.71 101.04 51.39 56.17 102.03 50.69 55.94 2 0 21.62 -999 ? O1 PO4 G 105 >LEU~H 60 102.81 51.08 51.01 104.27 49.84 49.94 103.54 50.46 50.47 3 0 22.01 -999 ? O1 PO4 G 105 >ASP~H 61 98.95 53.93 54.04 97.56 53.29 52.56 98.26 53.61 53.30 2 0 25.45 -999 ? O1 PO4 G 105 >ASP~H 62 102.99 54.34 57.54 104.04 55.41 59.04 103.51 54.88 58.29 2 0 17.19 -999 ? O1 PO4 G 105 >ARG~H 63 107.49 54.14 50.95 107.89 55.54 48.23 107.69 54.84 49.59 2 0 18.85 -999 ? O1 PO4 G 105 >ALA~H 64 103.18 57.84 51.66 101.85 57.44 51.06 102.51 57.64 51.36 2 0 21.75 -999 ? O1 PO4 G 105 >GLU~H 65 101.34 60.65 56.97 100.31 59.91 58.72 100.83 60.28 57.84 2 0 20.77 -999 ? O1 PO4 G 105 >ARG~H 66 106.32 57.53 58.47 107.04 57.38 61.49 106.68 57.45 59.98 2 0 13.77 -999 ? O1 PO4 G 105 >ARG~H 67 108.95 58.07 50.49 111.52 59.51 49.55 110.23 58.79 50.02 2 0 15.36 -999 ? O1 PO4 G 105 >GLY~H 68 104.71 63.66 52.02 105.32 63.57 52.59 105.02 63.62 52.31 1 0 19.55 -999 ? O1 PO4 G 105 >LEU~H 70 110.23 63.95 53.71 112.44 63.70 53.74 111.34 63.82 53.72 3 0 13.60 -999 ? O1 PO4 G 105 >ALA~H 71 108.67 66.81 50.72 107.74 66.21 49.68 108.21 66.51 50.20 2 0 19.48 -999 ? O1 PO4 G 105 >ASP~H 73 110.24 69.01 55.80 111.30 69.56 57.53 110.77 69.29 56.66 2 0 15.38 -999 ? O1 PO4 G 105 >ARG~H 75 115.86 72.13 59.37 116.38 69.68 61.17 116.12 70.90 60.27 2 0 11.98 -999 ? O4 PO4 G 105 >TRP~H 76 112.84 66.90 51.27 116.12 64.91 52.10 114.48 65.91 51.69 3 0 14.14 -999 ? O1 PO4 G 105 >GLN~H 77 110.59 72.01 50.42 108.85 73.24 50.52 109.72 72.62 50.47 2 0 22.22 -999 ? O1 PO4 G 105 >ALA~H 78 116.28 74.06 51.21 116.57 74.92 52.46 116.43 74.49 51.84 2 0 18.99 -999 ? O4 PO4 G 105 >PHE~H 79 119.41 68.82 52.22 121.21 66.76 51.85 120.31 67.79 52.03 3 0 12.97 -999 ? O4 PO4 G 105 >ILE~H 80 115.87 68.04 48.41 115.86 67.41 47.86 115.86 67.72 48.14 3 0 17.31 -999 ? O1 PO4 G 105 >PRO~H 81 116.62 72.58 46.40 117.82 70.70 46.11 117.22 71.64 46.25 3 0 20.43 -999 ? O4 PO4 G 105 >ARG~H 82 122.93 73.78 48.74 122.50 73.19 51.75 122.72 73.48 50.24 2 0 16.89 -999 ? O4 PO4 G 105 >LEU~H 83 121.17 66.27 47.75 122.01 64.48 48.68 121.59 65.37 48.22 3 0 14.79 -999 ? O4 PO4 G 105 >SER~H 84 119.75 66.57 43.51 117.48 66.85 44.28 118.62 66.71 43.89 2 0 19.68 -999 ? O4 PO4 G 105 >VAL~H 85 122.21 68.35 41.24 123.56 70.09 41.48 122.89 69.22 41.36 3 0 22.56 -999 ? O4 PO4 G 105 >LEU.H 86 125.35 65.44 43.54 126.53 67.00 44.45 125.94 66.22 43.99 3 0 19.22 -999 ? O4 PO4 G 105 >ILE^H 87 121.00 62.41 42.08 120.24 61.79 43.16 120.62 62.10 42.62 3 0 19.45 -999 ? O4 PO4 G 105 >SER^H 89 119.81 58.64 38.17 120.99 56.76 37.17 120.40 57.70 37.67 2 0 24.60 -999 ? O1 PO4 G 105 >SER^H 90 117.71 56.95 40.84 116.30 58.91 41.12 117.00 57.93 40.98 2 0 21.10 -999 ? O1 PO4 G 105 >GLU^H 91 116.76 51.88 41.02 117.69 50.61 39.59 117.22 51.25 40.30 2 0 23.61 -999 ? O1 PO4 G 105 >ASN^H 92 112.88 53.20 45.07 111.04 53.91 44.43 111.96 53.56 44.75 2 0 20.32 -999 ? O1 PO4 G 105 >ARG^H 93 114.57 46.76 44.17 117.45 45.93 43.51 116.01 46.34 43.84 2 0 22.22 -999 ? O1 PO4 G 105 >ILE^H 94 108.11 47.80 47.99 108.04 48.76 49.02 108.08 48.28 48.51 3 0 20.86 -999 ? O1 PO4 G 105 >LEU^H 95 112.50 44.49 49.88 114.11 44.85 48.50 113.31 44.67 49.19 3 0 19.92 -999 ? O1 PO4 G 105 >LEU^H 96 107.79 41.45 51.14 105.91 42.47 50.76 106.85 41.96 50.95 3 0 23.97 -999 ? O1 PO4 G 105 >PRO^H 97 110.99 42.31 55.54 110.71 40.79 53.93 110.85 41.55 54.74 3 0 20.62 -999 ? O1 PO4 G 105 >THR.H 98 110.64 36.56 54.38 112.34 35.57 53.44 111.49 36.07 53.91 2 0 25.54 -999 ? O1 PO4 G 105 >ASP.H 99 108.46 33.81 57.74 108.76 32.06 56.63 108.61 32.93 57.18 2 0 29.23 -999 ? O1 PO4 G 105 >PHE.H 100 113.71 32.35 55.83 113.67 32.42 53.03 113.69 32.39 54.43 3 0 27.53 -999 ? O2 PO4 G 105 >SER.H 101 114.76 37.14 57.55 114.98 39.43 56.71 114.87 38.28 57.13 2 0 20.16 -999 ? O2 PO4 G 105 >PRO.H 102 118.37 37.30 60.11 116.24 38.03 60.15 117.31 37.66 60.13 3 0 20.38 -999 ? O2 PO4 G 105 >LEU.H 103 116.16 42.67 58.81 116.32 44.84 58.85 116.24 43.76 58.83 3 0 15.33 -999 ? O2 PO4 G 105 >ARG.H 104 110.25 38.06 60.77 111.78 35.80 62.23 111.01 36.93 61.50 2 0 24.09 -999 ? O2 PO4 G 105