REMARK SOURCE hebe.pdb HEADER MEMBRANE PROTEIN 20-DEC-07 2VKO COMPND TM1634; COMPND 3 CHAIN: A, B, C, D; COMPND 4 FRAGMENT: SOLUBLE DOMAIN, RESIDUES 27-128; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET28B AUTHOR C.J.MCCLEVERTY,L.COLUMBUS,A.KREUSCH,S.A.LESLEY, AUTHOR 2 JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET P6G D1130 19 HET PG4 C1130 13 SITE 1 AC1 13 TYR D 46 ILE D 47 PHE D 48 SER D 49 SITE 1 AC2 11 TYR C 46 ILE C 47 SER C 49 LYS C 75 >HIS.A 26 -8.03 5.32 13.65 -6.26 5.48 12.53 -7.15 5.40 13.09 3 0 33.48 -999 ? O5 PG4 C1130 >MET~A 27 -13.17 3.63 15.11 -15.63 3.42 17.24 -14.40 3.52 16.18 2 0 34.65 -999 ? O5 PG4 C1130 >ASN~A 28 -13.06 -1.05 13.97 -11.31 -1.46 15.13 -12.18 -1.26 14.55 2 0 32.95 -999 ? O5 PG4 C1130 >LEU~A 29 -17.63 1.65 12.92 -19.49 0.95 11.97 -18.56 1.30 12.45 3 0 29.29 -999 ? O5 PG4 C1130 >ALA~A 30 -15.40 4.53 10.49 -14.90 5.74 11.30 -15.15 5.13 10.89 2 0 29.61 -999 ? O5 PG4 C1130 >VAL~A 31 -12.42 2.92 8.72 -10.91 2.10 10.17 -11.67 2.51 9.44 3 0 27.91 -999 ? O5 PG4 C1130 >LYS~A 32 -14.45 0.07 7.16 -16.37 -4.18 8.40 -15.41 -2.05 7.78 2 0 25.27 -999 ? O5 PG4 C1130 >LEU~A 33 -17.69 3.68 6.99 -19.58 4.76 6.65 -18.63 4.22 6.82 3 0 24.42 -999 ? O5 PG4 C1130 >THR~A 34 -14.30 4.75 4.28 -13.10 5.81 5.73 -13.70 5.28 5.00 2 0 24.96 -999 ? O5 PG4 C1130 >ARG~A 35 -11.68 -1.74 4.09 -8.68 -2.48 3.95 -10.18 -2.11 4.02 2 0 23.61 -999 ? O5 PG4 C1130 >MET~A 36 -16.35 0.65 1.49 -18.32 -1.99 3.71 -17.34 -0.67 2.60 2 0 20.33 -999 ? O5 PG4 C1130 >GLU~A 37 -18.08 5.74 1.85 -17.77 7.24 3.33 -17.93 6.49 2.59 2 0 22.40 -999 ? O5 PG4 C1130 >LYS~A 38 -13.68 4.03 -1.81 -8.47 6.66 0.55 -11.07 5.34 -0.63 2 0 22.91 -999 ? O5 PG4 C1130 >THR~A 39 -14.44 0.58 -3.19 -15.17 -1.32 -2.42 -14.80 -0.37 -2.80 2 0 15.12 -999 ? O5 PG4 C1130 >LEU~A 40 -19.01 2.30 -3.28 -21.00 1.45 -3.09 -20.01 1.87 -3.18 3 0 14.12 -999 ? O5 PG4 C1130 >LYS~A 41 -16.40 4.87 -5.99 -15.06 9.32 -8.17 -15.73 7.09 -7.08 2 0 15.70 -999 ? O5 PG4 C1130 >ALA~A 42 -14.02 2.58 -7.96 -13.02 1.59 -7.38 -13.52 2.08 -7.67 2 0 12.59 -999 ? O5 PG4 C1130 >TYR~A 43 -17.15 -1.87 -7.90 -15.96 -4.30 -7.17 -16.56 -3.09 -7.53 3 0 9.79 -999 ? O5 PG4 C1130 >GLU~A 44 -20.52 4.31 -8.11 -20.92 5.63 -6.53 -20.72 4.97 -7.32 2 0 13.07 -999 ? O5 PG4 C1130 >LEU~A 45 -14.74 5.11 -11.61 -14.05 7.02 -10.96 -14.40 6.06 -11.29 3 0 11.97 -999 ? O5 PG4 C1130 >TYR~A 46 -15.48 -1.02 -14.15 -15.10 -2.94 -16.12 -15.29 -1.98 -15.13 3 0 5.44 -999 ? O5 PG4 C1130 >ILE~A 47 -20.77 1.18 -13.37 -21.79 0.38 -12.69 -21.28 0.78 -13.03 3 0 5.06 -999 ? O5 PG4 C1130 >PHE~A 48 -22.33 5.37 -13.70 -24.67 4.22 -12.69 -23.50 4.80 -13.20 3 0 8.83 -999 ? O5 PG4 C1130 >SER~A 49 -17.04 6.36 -16.76 -15.36 6.96 -15.05 -16.20 6.66 -15.90 2 0 11.15 -999 ? O5 PG4 C1130 >ASP~A 50 -13.43 5.43 -19.54 -12.24 6.99 -18.79 -12.83 6.21 -19.17 2 0 13.04 -999 ? O5 PG4 C1130 >TYR~A 51 -9.96 0.03 -17.73 -8.42 -1.77 -16.26 -9.19 -0.87 -17.00 3 0 11.49 -999 ? O5 PG4 C1130 >GLU~A 52 -7.58 5.14 -19.74 -8.46 3.38 -20.54 -8.02 4.26 -20.14 2 0 14.14 -999 ? O5 PG4 C1130 >ASN~A 53 -11.99 7.33 -14.88 -12.11 8.95 -16.26 -12.05 8.14 -15.57 2 0 14.46 -999 ? O5 PG4 C1130 >PHE~A 54 -11.84 1.01 -12.73 -11.60 -1.49 -11.50 -11.72 -0.24 -12.12 3 0 10.14 -999 ? O5 PG4 C1130 >GLU~A 55 -5.51 1.40 -14.13 -4.52 0.89 -15.91 -5.01 1.15 -15.02 2 0 16.41 -999 ? O5 PG4 C1130 >ASN~A 56 -6.49 7.04 -12.83 -5.69 7.02 -14.83 -6.09 7.03 -13.83 2 0 17.86 -999 ? O5 PG4 C1130 >TYR~A 57 -10.74 6.03 -7.67 -11.80 6.36 -5.11 -11.27 6.19 -6.39 3 0 16.39 -999 ? O5 PG4 C1130 >VAL~A 58 -7.71 2.31 -7.89 -8.41 0.27 -8.41 -8.06 1.29 -8.15 3 0 15.53 -999 ? O5 PG4 C1130 >LYS~A 59 -3.94 3.00 -8.37 -1.40 0.97 -13.12 -2.67 1.99 -10.75 2 0 19.76 -999 ? O5 PG4 C1130 >LYS~A 60 -3.82 6.30 -6.49 -4.25 8.23 -10.56 -4.04 7.26 -8.53 2 0 20.53 -999 ? O5 PG4 C1130 >GLU~A 61 -8.37 6.43 -4.11 -7.95 7.95 -2.68 -8.16 7.19 -3.39 2 0 21.55 -999 ? O5 PG4 C1130 >GLY~A 62 -4.33 1.80 -3.50 -5.15 1.89 -3.52 -4.74 1.85 -3.51 1 0 21.24 -999 ? O5 PG4 C1130 >LEU.A 63 -8.80 0.30 -4.09 -10.26 1.63 -3.22 -9.53 0.97 -3.65 3 0 17.30 -999 ? O5 PG4 C1130 >LYS.A 64 -7.96 -3.98 -3.34 -10.31 -8.95 -2.90 -9.14 -6.47 -3.12 2 0 18.05 -999 ? O5 PG4 C1130 >ILE.A 65 -11.00 -3.73 -6.98 -12.13 -2.82 -6.77 -11.56 -3.27 -6.87 3 0 13.13 -999 ? O5 PG4 C1130 >GLU.A 66 -13.67 -8.92 -3.69 -15.45 -9.11 -2.55 -14.56 -9.01 -3.12 2 0 16.09 -999 ? O5 PG4 C1130 >GLY~A 67 -12.53 -9.29 -9.44 -11.99 -8.76 -9.16 -12.26 -9.02 -9.30 1 0 11.58 -999 ? C4 PG4 C1130 >MET~A 68 -9.78 -6.82 -10.45 -8.87 -3.63 -10.84 -9.32 -5.22 -10.65 2 0 12.95 -999 ? O5 PG4 C1130 >GLU~A 69 -6.34 -10.93 -10.72 -6.36 -12.66 -9.49 -6.35 -11.79 -10.10 2 0 16.61 -999 ? C4 PG4 C1130 >LEU~A 70 -12.26 -10.94 -14.01 -13.58 -12.04 -15.37 -12.92 -11.49 -14.69 3 0 8.30 -999 ? C4 PG4 C1130 >LEU~A 71 -11.87 -5.55 -14.19 -13.88 -5.33 -13.44 -12.87 -5.44 -13.82 3 0 8.37 -999 ? C7 PG4 C1130 >LYS~A 72 -7.82 -6.30 -16.17 -4.63 -3.65 -12.28 -6.22 -4.98 -14.23 2 0 16.44 -999 ? O5 PG4 C1130 >GLU~A 73 -7.38 -11.37 -17.25 -7.52 -13.52 -17.17 -7.45 -12.44 -17.21 2 0 13.39 -999 ? C4 PG4 C1130 >LYS~A 74 -11.19 -7.76 -20.17 -16.10 -10.21 -19.00 -13.64 -8.98 -19.59 2 0 4.39 -999 ? C4 PG4 C1130 >LYS~A 75 -9.26 -4.52 -20.69 -8.96 0.47 -22.55 -9.11 -2.02 -21.62 2 0 13.44 -999 ? O5 PG4 C1130 >ALA~A 76 -6.29 -6.45 -22.06 -5.54 -7.55 -21.34 -5.91 -7.00 -21.70 2 0 14.67 -999 ? C6 PG4 C1130 >ARG~A 77 -11.22 -10.86 -25.43 -9.74 -13.55 -25.06 -10.48 -12.20 -25.25 2 0 12.69 -999 ? C2 PG4 C1130 >SER~A 78 -9.99 -4.76 -25.54 -11.05 -2.62 -25.11 -10.52 -3.69 -25.33 2 0 11.56 -999 ? C6 PG4 C1130 >LEU~A 79 -5.34 -3.42 -24.95 -5.01 -1.75 -23.55 -5.17 -2.58 -24.25 3 0 16.24 -999 ? C6 PG4 C1130 >ILE~A 80 -5.76 -7.89 -28.13 -5.24 -9.26 -28.11 -5.50 -8.57 -28.12 3 0 17.21 -999 ? C6 PG4 C1130 >ALA~A 81 -8.85 -5.53 -30.29 -10.21 -5.47 -29.65 -9.53 -5.50 -29.97 2 0 14.49 -999 ? C6 PG4 C1130 >GLU~A 82 -8.97 -0.62 -28.74 -8.81 1.15 -27.62 -8.89 0.27 -28.18 2 0 16.13 -999 ? C6 PG4 C1130 >GLY~A 83 -4.25 -2.91 -31.49 -4.99 -3.15 -31.84 -4.62 -3.03 -31.66 1 0 20.43 -999 ? C6 PG4 C1130 >LYS~A 84 -5.67 -5.22 -34.18 -8.78 -8.99 -35.57 -7.22 -7.11 -34.87 2 0 19.93 -999 ? C5 PG4 C1130 >ASP~A 85 -8.98 -1.84 -35.39 -10.62 -3.17 -35.56 -9.80 -2.51 -35.47 2 0 19.32 -999 ? C6 PG4 C1130 >LEU~A 86 -3.85 0.15 -34.51 -4.48 1.96 -33.39 -4.17 1.06 -33.95 3 0 23.09 -999 ? C6 PG4 C1130 >PHE~A 87 -1.55 -5.32 -37.44 0.08 -6.96 -39.02 -0.73 -6.14 -38.23 3 0 21.78 -999 ? O1 P6G D1130 >GLU~A 88 -6.24 -5.88 -39.24 -8.02 -7.02 -38.94 -7.13 -6.45 -39.09 2 0 23.13 -999 ? C5 PG4 C1130 >THR.A 89 -5.16 0.04 -40.94 -6.61 0.89 -39.59 -5.89 0.47 -40.26 2 0 25.53 -999 ? O1 P6G D1130 >ALA.A 90 -1.34 0.01 -40.98 -1.00 0.24 -42.46 -1.17 0.13 -41.72 2 0 19.83 -999 ? O1 P6G D1130 >ASN~A 91 -2.12 2.70 -37.07 -3.24 4.07 -38.22 -2.68 3.39 -37.64 2 0 22.38 -999 ? O1 P6G D1130 >TYR~A 92 2.30 -1.46 -39.04 1.18 -2.64 -41.31 1.74 -2.05 -40.18 3 0 17.76 -999 ? O1 P6G D1130 >GLY~A 93 3.56 2.15 -34.44 2.78 1.87 -34.42 3.17 2.01 -34.43 1 0 17.18 -999 ? O1 P6G D1130 >GLU~A 94 -1.57 4.02 -31.47 -0.29 5.04 -30.11 -0.93 4.53 -30.79 2 0 22.82 -999 ? O1 P6G D1130 >ALA~A 95 -0.67 -0.88 -32.75 -0.76 -1.67 -34.05 -0.72 -1.28 -33.40 2 0 21.68 -999 ? O1 P6G D1130 >LEU~A 96 4.08 -1.45 -31.59 6.05 -1.57 -30.63 5.07 -1.51 -31.11 3 0 18.30 -999 ? O1 P6G D1130 >VAL~A 97 1.95 0.30 -28.20 2.12 2.47 -27.80 2.03 1.38 -28.00 3 0 22.17 -999 ? O1 P6G D1130 >PHE~A 98 -3.45 0.03 -28.39 -4.86 2.42 -28.08 -4.16 1.22 -28.24 3 0 19.95 -999 ? C6 PG4 C1130 >PHE~A 99 -0.51 -5.66 -30.28 -2.37 -5.93 -32.36 -1.44 -5.80 -31.32 3 0 22.28 -999 ? C6 PG4 C1130 >GLU~A 100 4.82 -2.98 -24.68 6.51 -1.85 -25.22 5.66 -2.41 -24.95 2 0 21.70 -999 ? O1 P6G D1130 >LYS~A 101 0.27 -2.68 -23.03 -3.47 1.45 -20.16 -1.60 -0.62 -21.59 2 0 17.94 -999 ? O5 PG4 C1130 >ALA~A 102 -2.07 -5.71 -23.42 -2.76 -6.16 -24.69 -2.41 -5.94 -24.06 2 0 18.16 -999 ? C6 PG4 C1130 >LEU~A 103 2.20 -7.99 -23.80 3.77 -9.56 -23.73 2.98 -8.78 -23.76 3 0 23.56 -999 ? C6 PG4 C1130 >ASN~A 104 2.96 -5.44 -19.69 4.71 -5.94 -20.83 3.84 -5.69 -20.26 2 0 24.79 -999 ? C6 PG4 C1130 >LEU~A 105 -2.71 -5.13 -19.00 -4.17 -3.75 -18.09 -3.44 -4.44 -18.54 3 0 16.72 -999 ? C6 PG4 C1130 >SER~A 106 -2.86 -9.54 -18.24 -4.86 -10.86 -18.80 -3.86 -10.20 -18.52 2 0 15.55 -999 ? C4 PG4 C1130 >ASP.A 107 -1.38 -13.22 -15.62 -0.19 -11.78 -14.63 -0.78 -12.50 -15.13 2 0 20.53 -999 ? C4 PG4 C1130 >ASN~A 108 -5.42 -13.89 -19.95 -6.65 -15.12 -21.18 -6.04 -14.50 -20.57 2 0 14.80 -999 ? C2 PG4 C1130 >GLU~A 109 -1.10 -18.78 -20.33 -0.51 -20.78 -20.42 -0.80 -19.78 -20.38 2 0 22.30 -999 ? C2 PG4 C1130 >GLU~A 110 -6.36 -16.13 -26.16 -8.47 -16.04 -26.21 -7.42 -16.08 -26.18 2 0 14.79 -999 ? C2 PG4 C1130 >ILE~A 111 -4.69 -11.85 -23.32 -5.46 -10.81 -22.67 -5.07 -11.33 -23.00 3 0 16.13 -999 ? C6 PG4 C1130 >LYS~A 112 -0.40 -12.75 -23.97 2.35 -14.52 -18.97 0.97 -13.64 -21.47 2 0 23.21 -999 ? C4 PG4 C1130 >LYS~A 113 0.05 -15.10 -26.92 0.90 -20.33 -24.89 0.48 -17.72 -25.90 2 0 24.04 -999 ? C2 PG4 C1130 >ILE~A 114 -3.58 -12.84 -29.25 -4.95 -12.96 -29.76 -4.26 -12.90 -29.51 3 0 19.56 -999 ? C2 PG4 C1130 >ALA~A 115 -0.34 -9.83 -28.12 -0.34 -9.28 -26.70 -0.34 -9.55 -27.41 2 0 21.26 -999 ? C6 PG4 C1130 >SER~A 116 3.16 -11.28 -28.49 3.95 -12.20 -26.36 3.56 -11.74 -27.43 2 0 25.66 -999 ? C6 PG4 C1130 >PHE~A 117 0.95 -13.58 -33.87 0.52 -13.81 -36.64 0.74 -13.69 -35.26 3 0 25.41 -999 ? O1 P6G D1130 >TYR~A 118 -1.38 -9.05 -33.65 -3.37 -9.97 -35.41 -2.38 -9.51 -34.53 3 0 23.63 -999 ? C5 PG4 C1130 >LEU~A 119 4.35 -7.51 -29.89 4.64 -5.95 -28.37 4.49 -6.73 -29.13 3 0 21.73 -999 ? O1 P6G D1130 >GLU~A 120 6.82 -11.06 -31.67 7.44 -9.70 -30.14 7.13 -10.38 -30.91 2 0 20.88 -999 ? O1 P6G D1130 >GLU~A 121 2.80 -10.41 -36.92 3.82 -11.51 -38.44 3.31 -10.96 -37.68 2 0 21.00 -999 ? O1 P6G D1130 >CYH~A 122 4.49 -4.79 -35.75 2.11 -4.18 -34.46 3.30 -4.49 -35.11 2 0 19.70 -999 ? O1 P6G D1130 >ARG~A 123 9.14 -6.20 -31.52 9.40 -6.54 -28.47 9.27 -6.37 -29.99 2 0 19.27 -999 ? O1 P6G D1130 >LYS~A 124 8.72 -6.45 -38.52 11.43 -11.38 -40.04 10.08 -8.92 -39.28 2 0 16.08 -999 ? O1 P6G D1130 >LYS~A 125 6.58 -3.76 -40.18 3.66 -7.32 -42.07 5.12 -5.54 -41.13 2 0 18.08 -999 ? O1 P6G D1130 >LEU~A 126 8.17 -0.63 -37.01 6.46 0.51 -36.38 7.32 -0.06 -36.70 3 0 13.09 -999 ? O1 P6G D1130 >ALA.A 127 12.01 -2.63 -38.85 12.27 -4.10 -39.14 12.14 -3.36 -38.99 2 0 9.98 -999 ? O1 P6G D1130 >GLY.A 128 12.96 -1.11 -42.18 13.03 -1.90 -41.92 13.00 -1.51 -42.05 1 0 6.90 -999 ? O1 P6G D1130 >ASP.A 129 16.73 -3.96 -41.52 17.31 -2.00 -40.88 17.02 -2.98 -41.20 2 0 5.22 -999 ? O1 P6G D1130 >HIS.B 26 20.40 -5.65 -79.75 19.20 -6.88 -80.97 19.80 -6.26 -80.36 3 0 35.25 -999 ? C6 P6G D1130 >MET.B 27 24.50 -1.66 -80.37 24.49 -2.63 -83.39 24.50 -2.15 -81.88 2 0 37.75 -999 ? C6 P6G D1130 >ASN~B 28 26.85 0.91 -77.13 26.68 2.86 -77.97 26.77 1.88 -77.55 2 0 31.97 -999 ? C8 P6G D1130 >LEU~B 29 20.77 0.02 -76.18 19.95 2.04 -76.60 20.36 1.03 -76.39 3 0 29.78 -999 ? C6 P6G D1130 >ALA~B 30 23.57 -3.13 -74.32 24.12 -4.20 -75.25 23.84 -3.67 -74.79 2 0 30.31 -999 ? C6 P6G D1130 >VAL~B 31 26.59 -1.48 -72.75 28.54 -0.96 -73.63 27.57 -1.22 -73.19 3 0 28.54 -999 ? C8 P6G D1130 >LYS~B 32 24.48 1.33 -71.20 20.78 5.38 -73.37 22.63 3.35 -72.28 2 0 26.29 -999 ? C8 P6G D1130 >LEU~B 33 21.31 -2.38 -70.71 19.18 -2.95 -70.61 20.25 -2.66 -70.66 3 0 24.97 -999 ? C6 P6G D1130 >THR~B 34 24.45 -3.48 -67.89 25.98 -4.62 -68.95 25.22 -4.05 -68.42 2 0 25.20 -999 ? C6 P6G D1130 >ARG~B 35 27.98 3.09 -66.94 26.77 4.37 -69.48 27.37 3.73 -68.21 2 0 23.72 -999 ? C8 P6G D1130 >MET~B 36 22.62 0.91 -65.35 21.37 3.34 -68.03 21.99 2.12 -66.69 2 0 21.28 -999 ? C8 P6G D1130 >GLU~B 37 20.90 -4.08 -65.74 21.08 -5.77 -67.00 20.99 -4.92 -66.37 2 0 22.87 -999 ? C6 P6G D1130 >LYS~B 38 25.30 -2.41 -62.07 30.29 -5.23 -64.65 27.80 -3.82 -63.36 2 0 23.39 -999 ? O4 P6G D1130 >THR~B 39 24.60 1.04 -60.68 24.34 2.92 -61.79 24.47 1.98 -61.23 2 0 16.03 -999 ? C8 P6G D1130 >LEU~B 40 20.03 -0.73 -60.50 18.12 0.25 -60.86 19.07 -0.24 -60.68 3 0 14.67 -999 ? C6 P6G D1130 >LYS~B 41 22.58 -3.09 -57.56 22.63 -7.38 -61.16 22.61 -5.24 -59.36 2 0 19.06 -999 ? O4 P6G D1130 >ALA~B 42 25.08 -0.64 -55.99 26.08 0.25 -56.74 25.58 -0.19 -56.37 2 0 13.18 -999 ? O4 P6G D1130 >TYR~B 43 21.94 3.80 -56.34 23.03 6.24 -57.25 22.49 5.02 -56.79 3 0 10.38 -999 ? C8 P6G D1130 >GLU~B 44 18.51 -2.46 -55.26 18.22 -3.73 -56.94 18.37 -3.09 -56.10 2 0 13.14 -999 ? C6 P6G D1130 >LEU~B 45 24.70 -2.86 -52.16 25.38 -4.85 -52.81 25.04 -3.85 -52.49 3 0 11.29 -999 ? O4 P6G D1130 >TYR~B 46 23.81 3.51 -50.06 24.23 5.64 -48.28 24.02 4.58 -49.17 3 0 5.77 -999 ? O4 P6G D1130 >ILE~B 47 18.55 1.15 -50.41 17.56 1.81 -51.09 18.05 1.48 -50.75 3 0 5.05 -999 ? C6 P6G D1130 >PHE~B 48 17.31 -2.99 -49.76 14.99 -1.83 -50.78 16.15 -2.41 -50.27 3 0 8.11 -999 ? O4 P6G D1130 >SER~B 49 22.79 -3.71 -47.01 24.67 -5.23 -47.38 23.73 -4.47 -47.19 2 0 9.77 -999 ? C2 P6G D1130 >ASP~B 50 26.81 -2.80 -44.44 26.03 -3.69 -42.69 26.42 -3.24 -43.56 2 0 8.75 -999 ? C2 P6G D1130 >TYR~B 51 29.55 2.80 -46.55 31.14 4.40 -48.22 30.35 3.60 -47.39 3 0 10.58 -999 ? C3 P6G D1130 >GLU~B 52 32.10 -2.10 -44.27 32.78 -3.62 -42.92 32.44 -2.86 -43.60 2 0 14.42 -999 ? C2 P6G D1130 >ASN~B 53 27.65 -4.82 -48.74 27.65 -6.49 -47.41 27.65 -5.65 -48.07 2 0 12.45 -999 ? C2 P6G D1130 >PHE~B 54 27.47 1.32 -51.39 27.75 3.66 -52.87 27.61 2.49 -52.13 3 0 10.32 -999 ? O4 P6G D1130 >GLU~B 55 33.77 1.13 -50.00 34.67 1.54 -48.13 34.22 1.34 -49.07 2 0 15.05 -999 ? C3 P6G D1130 >ASN~B 56 32.78 -4.61 -51.14 33.91 -4.71 -49.33 33.34 -4.66 -50.23 2 0 16.63 -999 ? C3 P6G D1130 >TYR~B 57 28.47 -3.97 -56.19 27.34 -4.39 -58.70 27.90 -4.18 -57.45 3 0 16.24 -999 ? O4 P6G D1130 >VAL~B 58 31.45 -0.31 -56.26 30.80 1.73 -55.79 31.12 0.71 -56.02 3 0 15.70 -999 ? O4 P6G D1130 >LYS~B 59 35.19 -0.96 -55.86 35.42 3.27 -52.50 35.31 1.15 -54.18 2 0 17.23 -999 ? O4 P6G D1130 >LYS~B 60 35.13 -4.39 -57.50 30.78 -7.61 -55.34 32.96 -6.00 -56.42 2 0 18.39 -999 ? O4 P6G D1130 >GLU~B 61 30.88 -4.52 -59.91 31.08 -6.09 -61.35 30.98 -5.30 -60.63 2 0 21.58 -999 ? O4 P6G D1130 >GLY~B 62 34.71 0.16 -60.89 33.89 0.05 -60.82 34.30 0.11 -60.86 1 0 21.67 -999 ? O4 P6G D1130 >LEU.B 63 30.19 1.62 -60.10 28.89 0.05 -60.91 29.54 0.84 -60.50 3 0 18.00 -999 ? C8 P6G D1130 >LYS.B 64 31.06 5.90 -60.97 28.02 9.66 -62.79 29.54 7.78 -61.88 2 0 18.19 -999 ? C9 P6G D1130 >ILE.B 65 27.87 5.72 -57.44 26.86 4.76 -57.65 27.37 5.24 -57.55 3 0 13.38 -999 ? C8 P6G D1130 >GLU.B 66 24.13 11.40 -59.41 22.89 12.15 -60.98 23.51 11.78 -60.19 2 0 14.53 -999 ? C15 P6G D1130 >GLY~B 67 26.53 11.48 -55.55 27.03 10.89 -55.78 26.78 11.19 -55.67 1 0 11.72 -999 ? C14 P6G D1130 >MET~B 68 29.27 9.11 -54.37 30.37 6.00 -53.97 29.82 7.56 -54.17 2 0 13.21 -999 ? C8 P6G D1130 >GLU~B 69 32.72 14.03 -52.77 34.27 12.68 -52.28 33.50 13.36 -52.53 2 0 16.29 -999 ? C14 P6G D1130 >LEU~B 70 26.74 13.39 -51.11 25.48 14.62 -49.80 26.11 14.00 -50.46 3 0 8.20 -999 ? C14 P6G D1130 >LEU~B 71 27.39 8.09 -50.41 25.35 7.85 -51.19 26.37 7.97 -50.80 3 0 8.21 -999 ? C8 P6G D1130 >LYS~B 72 31.42 9.18 -48.71 35.31 8.95 -53.15 33.37 9.06 -50.93 2 0 17.42 -999 ? C8 P6G D1130 >GLU~B 73 30.54 14.87 -46.06 28.97 16.29 -46.38 29.75 15.58 -46.22 2 0 10.65 -999 ? C14 P6G D1130 >LYS~B 74 28.17 10.93 -44.80 23.06 12.97 -45.61 25.62 11.95 -45.21 2 0 4.23 -999 ? C14 P6G D1130 >LYS~B 75 30.12 7.76 -44.06 30.09 2.81 -42.01 30.10 5.29 -43.04 2 0 10.18 -999 ? C3 P6G D1130 >ALA~B 76 33.17 9.74 -42.93 33.99 10.72 -43.77 33.58 10.23 -43.35 2 0 14.74 -999 ? C11 P6G D1130 >ARG~B 77 28.29 14.60 -40.19 29.66 17.13 -41.31 28.97 15.86 -40.75 2 0 12.24 -999 ? C17 P6G D1130 >SER~B 78 29.57 8.47 -39.24 28.68 6.25 -39.24 29.12 7.36 -39.24 2 0 10.35 -999 ? C3 P6G D1130 >LEU~B 79 34.24 7.10 -39.73 34.51 5.30 -40.93 34.37 6.20 -40.33 3 0 15.03 -999 ? C3 P6G D1130 >ILE~B 80 33.87 11.87 -37.32 34.37 13.17 -37.67 34.12 12.52 -37.49 3 0 16.96 -999 ? C11 P6G D1130 >ALA~B 81 30.85 9.91 -34.57 29.42 9.80 -35.00 30.14 9.86 -34.79 2 0 14.45 -999 ? C11 P6G D1130 >GLU~B 82 30.92 4.89 -35.74 29.30 4.17 -34.66 30.11 4.53 -35.20 2 0 13.30 -999 ? C2 P6G D1130 >GLY~B 83 35.61 7.43 -33.25 34.89 7.70 -32.90 35.25 7.56 -33.08 1 0 19.46 -999 ? C3 P6G D1130 >LYS~B 84 34.20 9.92 -30.73 30.97 14.90 -30.33 32.58 12.41 -30.53 2 0 19.45 -999 ? C18 P6G D1130 >ASP~B 85 31.47 6.05 -29.78 29.50 6.72 -30.15 30.49 6.39 -29.97 2 0 16.97 -999 ? O1 P6G D1130 >LEU~B 86 36.40 4.60 -30.00 35.97 2.83 -31.17 36.18 3.72 -30.58 3 0 21.10 -999 ? C2 P6G D1130 >PHE~B 87 38.54 10.51 -27.65 40.38 12.27 -26.48 39.46 11.39 -27.06 3 0 27.15 -999 ? C3 P6G D1130 >GLU~B 88 33.13 10.31 -25.75 31.26 10.53 -26.75 32.20 10.42 -26.25 2 0 21.68 -999 ? O1 P6G D1130 >THR~B 89 35.32 4.97 -23.65 34.17 3.75 -25.02 34.75 4.36 -24.33 2 0 23.45 -999 ? O1 P6G D1130 >ALA.B 90 39.13 5.51 -23.62 39.54 5.36 -22.16 39.34 5.43 -22.89 2 0 29.32 -999 ? O1 P6G D1130 >ASN~B 91 38.86 2.42 -27.25 38.09 1.11 -25.75 38.47 1.77 -26.50 2 0 25.69 -999 ? C2 P6G D1130 >TYR~B 92 42.63 7.31 -26.13 41.44 8.28 -23.79 42.03 7.80 -24.96 3 0 29.58 -999 ? C3 P6G D1130 >GLY~B 93 43.99 3.50 -30.67 43.17 3.69 -30.58 43.58 3.59 -30.62 1 0 27.46 -999 ? C3 P6G D1130 >GLU~B 94 38.57 0.93 -32.34 39.48 -0.67 -33.39 39.03 0.13 -32.87 2 0 22.51 -999 ? C2 P6G D1130 >ALA~B 95 39.47 6.03 -32.16 39.38 7.03 -31.00 39.42 6.53 -31.58 2 0 23.69 -999 ? C3 P6G D1130 >LEU~B 96 44.10 6.64 -33.57 46.02 7.50 -33.98 45.06 7.07 -33.78 3 0 27.30 -999 ? C3 P6G D1130 >VAL~B 97 41.87 4.27 -36.65 42.08 2.06 -36.75 41.97 3.16 -36.70 3 0 23.09 -999 ? C3 P6G D1130 >PHE~B 98 36.48 4.26 -36.04 35.13 1.81 -35.88 35.81 3.04 -35.96 3 0 17.75 -999 ? C3 P6G D1130 >PHE~B 99 39.20 10.29 -35.14 37.62 10.52 -32.83 38.41 10.41 -33.99 3 0 22.15 -999 ? C3 P6G D1130 >GLU~B 100 44.37 7.71 -38.80 45.94 6.33 -38.72 45.15 7.02 -38.76 2 0 26.53 -999 ? C3 P6G D1130 >LYS~B 101 39.66 6.36 -42.06 38.78 0.18 -41.50 39.22 3.27 -41.78 2 0 19.06 -999 ? C3 P6G D1130 >ALA~B 102 37.30 9.41 -41.92 36.70 9.99 -40.66 37.00 9.70 -41.29 2 0 17.96 -999 ? C11 P6G D1130 >LEU~B 103 41.52 11.84 -42.16 43.44 12.66 -42.88 42.48 12.25 -42.52 3 0 23.43 -999 ? C11 P6G D1130 >ASN~B 104 41.89 8.42 -45.83 43.69 8.87 -44.83 42.79 8.65 -45.33 2 0 24.15 -999 ? C3 P6G D1130 >LEU~B 105 36.48 7.98 -46.25 35.00 6.54 -46.90 35.74 7.26 -46.57 3 0 16.18 -999 ? C3 P6G D1130 >SER~B 106 36.13 12.10 -48.03 34.30 13.65 -47.56 35.21 12.87 -47.80 2 0 15.38 -999 ? C14 P6G D1130 >ASP.B 107 37.26 15.33 -51.32 39.19 15.47 -52.18 38.22 15.40 -51.75 2 0 21.14 -999 ? C14 P6G D1130 >ASN~B 108 33.81 16.76 -46.84 32.68 18.25 -45.86 33.24 17.50 -46.35 2 0 14.77 -999 ? C17 P6G D1130 >GLU~B 109 38.03 21.53 -47.60 38.82 23.44 -47.86 38.43 22.49 -47.73 2 0 22.36 -999 ? C17 P6G D1130 >GLU~B 110 32.90 20.43 -41.22 30.91 19.85 -41.11 31.91 20.14 -41.17 2 0 14.17 -999 ? C17 P6G D1130 >ILE~B 111 34.81 15.23 -43.34 33.94 14.43 -42.56 34.37 14.83 -42.95 3 0 15.99 -999 ? C14 P6G D1130 >LYS~B 112 39.07 16.52 -42.78 41.38 14.10 -46.96 40.22 15.31 -44.87 2 0 22.45 -999 ? C14 P6G D1130 >LYS~B 113 39.51 19.43 -40.28 40.84 23.44 -43.47 40.18 21.44 -41.87 2 0 24.16 -999 ? C17 P6G D1130 >ILE~B 114 35.86 17.48 -37.63 34.50 17.64 -37.24 35.18 17.56 -37.43 3 0 18.82 -999 ? C17 P6G D1130 >ALA~B 115 39.06 14.29 -38.29 39.19 13.64 -39.65 39.12 13.97 -38.97 2 0 21.00 -999 ? C11 P6G D1130 >SER~B 116 42.44 16.01 -37.83 43.08 16.69 -40.10 42.76 16.35 -38.97 2 0 25.27 -999 ? C11 P6G D1130 >PHE~B 117 39.60 18.74 -32.97 38.80 19.09 -30.30 39.20 18.91 -31.64 3 0 25.29 -999 ? C17 P6G D1130 >TYR~B 118 37.69 14.21 -33.01 35.23 15.36 -32.38 36.46 14.78 -32.70 3 0 21.87 -999 ? C11 P6G D1130 >LEU~B 119 43.87 12.60 -35.81 43.71 11.06 -37.32 43.79 11.83 -36.56 3 0 26.05 -999 ? C11 P6G D1130 >GLU~B 120 46.57 16.64 -34.21 48.52 15.81 -33.97 47.55 16.23 -34.09 2 0 31.89 -999 ? C11 P6G D1130 >GLU~B 121 40.84 14.63 -29.45 39.08 15.39 -28.50 39.96 15.01 -28.98 2 0 26.56 -999 ? C11 P6G D1130 >CYH~B 122 44.04 10.92 -29.63 42.03 9.66 -31.09 43.03 10.29 -30.36 2 0 26.34 -999 ? C3 P6G D1130 >ARG~B 123 48.86 12.42 -33.59 48.71 12.69 -36.66 48.79 12.56 -35.13 2 0 30.75 -999 ? C11 P6G D1130 >LYS~B 124 47.44 13.89 -26.91 47.07 18.95 -24.67 47.26 16.42 -25.79 2 0 35.64 -999 ? C18 P6G D1130 >LYS~B 125 46.03 11.05 -24.83 42.26 13.39 -21.60 44.15 12.22 -23.22 2 0 33.21 -999 ? C11 P6G D1130 >LEU~B 126 48.35 7.91 -27.78 47.00 6.42 -28.57 47.67 7.17 -28.17 3 0 32.14 -999 ? C3 P6G D1130 >ALA~B 127 51.38 10.66 -25.48 51.36 12.18 -25.67 51.37 11.42 -25.58 2 0 37.42 -999 ? C3 P6G D1130 >GLY.B 128 52.19 8.69 -22.31 51.51 9.16 -22.37 51.85 8.92 -22.34 1 0 39.24 -999 ? C3 P6G D1130 >MET~C 27 -25.19 4.50 14.38 -21.82 3.22 15.91 -23.50 3.86 15.15 2 0 32.99 -999 ? O5 PG4 C1130 >ASN~C 28 -25.75 8.02 11.14 -27.04 9.12 12.42 -26.40 8.57 11.78 2 0 31.96 -999 ? O5 PG4 C1130 >LEU~C 29 -21.39 4.90 11.64 -20.12 6.64 11.91 -20.75 5.77 11.77 3 0 29.54 -999 ? O5 PG4 C1130 >ALA~C 30 -23.96 1.34 11.06 -24.54 0.77 12.35 -24.25 1.06 11.71 2 0 29.34 -999 ? O5 PG4 C1130 >VAL~C 31 -26.85 2.19 8.72 -28.84 3.14 8.90 -27.84 2.67 8.81 3 0 26.91 -999 ? O5 PG4 C1130 >LYS~C 32 -24.29 3.76 6.29 -22.32 9.47 8.21 -23.30 6.62 7.25 2 0 27.65 -999 ? O5 PG4 C1130 >LEU~C 33 -21.63 -0.11 7.58 -19.56 -0.63 7.98 -20.59 -0.37 7.78 3 0 24.39 -999 ? O5 PG4 C1130 >THR~C 34 -25.16 -1.64 5.50 -26.64 -2.67 6.71 -25.90 -2.16 6.11 2 0 24.00 -999 ? O5 PG4 C1130 >ARG~C 35 -27.40 4.35 1.93 -30.39 4.99 1.63 -28.90 4.67 1.78 2 0 22.08 -999 ? O5 PG4 C1130 >MET~C 36 -22.81 0.52 1.23 -20.98 3.78 1.19 -21.89 2.15 1.21 2 0 18.88 -999 ? O5 PG4 C1130 >GLU~C 37 -21.28 -3.96 3.81 -21.51 -4.93 5.68 -21.39 -4.45 4.75 2 0 22.29 -999 ? O5 PG4 C1130 >LYS~C 38 -25.71 -3.86 -0.20 -30.77 -4.99 3.32 -28.24 -4.42 1.56 2 0 22.42 -999 ? O5 PG4 C1130 >THR~C 39 -24.77 -1.30 -2.89 -24.97 0.82 -3.17 -24.87 -0.24 -3.03 2 0 14.51 -999 ? O5 PG4 C1130 >LEU~C 40 -20.35 -3.23 -2.13 -18.56 -3.80 -3.25 -19.46 -3.52 -2.69 3 0 13.85 -999 ? O5 PG4 C1130 >LYS~C 41 -23.20 -6.39 -3.72 -23.40 -11.16 -4.26 -23.30 -8.77 -3.99 2 0 13.38 -999 ? C3 PG4 C1130 >ALA~C 42 -25.46 -4.85 -6.38 -26.44 -3.69 -6.16 -25.95 -4.27 -6.27 2 0 11.94 -999 ? O5 PG4 C1130 >TYR~C 43 -22.05 -0.91 -7.70 -22.95 1.73 -7.48 -22.50 0.41 -7.59 3 0 9.68 -999 ? O5 PG4 C1130 >GLU~C 44 -19.11 -6.67 -6.22 -18.02 -7.94 -4.93 -18.56 -7.31 -5.57 2 0 12.88 -999 ? O5 PG4 C1130 >LEU~C 45 -25.10 -8.53 -8.94 -25.63 -10.09 -7.50 -25.36 -9.31 -8.22 3 0 10.23 -999 ? C3 PG4 C1130 >TYR~C 46 -24.39 -3.37 -13.27 -24.57 -1.95 -15.66 -24.48 -2.66 -14.47 3 0 -4.42 -999 ? C8 PG4 C1130s >ILE~C 47 -19.33 -5.33 -12.66 -18.36 -4.41 -12.36 -18.84 -4.87 -12.51 3 0 -4.76 -999 ? O5 PG4 C1130s >PHE~C 48 -17.87 -9.30 -11.62 -15.58 -7.75 -11.22 -16.72 -8.52 -11.42 3 0 7.58 -999 ? C4 PG4 C1130 >SER~C 49 -23.25 -11.39 -13.39 -25.00 -12.65 -12.19 -24.13 -12.02 -12.79 2 0 -6.70 -999 ? C3 PG4 C1130s >ASP~C 50 -27.33 -12.17 -15.89 -26.49 -13.58 -17.20 -26.91 -12.88 -16.55 2 0 5.21 -999 ? O2 PG4 C1130 >TYR~C 51 -29.80 -5.94 -16.24 -31.03 -3.64 -15.30 -30.42 -4.79 -15.77 3 0 9.35 -999 ? C8 PG4 C1130 >GLU~C 52 -31.51 -11.89 -15.93 -31.25 -10.85 -17.75 -31.38 -11.37 -16.84 2 0 9.38 -999 ? O2 PG4 C1130 >ASN~C 53 -28.10 -11.89 -11.16 -28.12 -13.75 -12.27 -28.11 -12.82 -11.71 2 0 9.07 -999 ? C3 PG4 C1130 >PHE~C 54 -28.01 -5.09 -11.10 -28.47 -2.39 -10.65 -28.24 -3.74 -10.87 3 0 9.47 -999 ? C8 PG4 C1130 >GLU~C 55 -33.95 -5.76 -12.70 -35.16 -6.44 -14.29 -34.56 -6.10 -13.49 2 0 14.48 -999 ? C8 PG4 C1130 >ASN~C 56 -33.22 -10.82 -9.01 -34.40 -11.65 -10.57 -33.81 -11.23 -9.79 2 0 14.82 -999 ? O2 PG4 C1130 >TYR~C 57 -28.98 -7.95 -4.69 -27.86 -7.25 -2.24 -28.42 -7.60 -3.47 3 0 15.97 -999 ? O5 PG4 C1130 >VAL~C 58 -31.98 -4.58 -6.14 -31.26 -2.86 -7.29 -31.62 -3.72 -6.71 3 0 14.79 -999 ? C8 PG4 C1130 >LYS~C 59 -35.73 -5.32 -6.23 -38.67 -6.39 -11.74 -37.20 -5.86 -8.99 2 0 18.46 -999 ? C8 PG4 C1130 >LYS~C 60 -35.53 -7.83 -3.33 -38.18 -11.20 -0.84 -36.85 -9.51 -2.09 2 0 23.71 -999 ? C3 PG4 C1130 >GLU~C 61 -31.20 -6.64 -1.02 -31.34 -7.32 1.00 -31.27 -6.98 -0.01 2 0 21.06 -999 ? O5 PG4 C1130 >GLY~C 62 -35.43 -2.32 -2.22 -34.59 -2.45 -2.19 -35.01 -2.39 -2.20 1 0 20.66 -999 ? O5 PG4 C1130 >LEU.C 63 -30.88 -1.64 -3.09 -28.87 -1.48 -2.33 -29.88 -1.56 -2.71 3 0 16.71 -999 ? O5 PG4 C1130 >LYS.C 64 -31.89 2.68 -4.52 -34.59 7.10 -6.42 -33.24 4.89 -5.47 2 0 19.97 -999 ? O5 PG4 C1130 >ILE.C 65 -28.83 1.53 -7.99 -27.57 0.85 -7.63 -28.19 1.19 -7.81 3 0 12.28 -999 ? O5 PG4 C1130 >GLU.C 66 -27.54 8.06 -6.82 -28.96 9.42 -7.64 -28.25 8.74 -7.23 2 0 17.32 -999 ? O5 PG4 C1130 >GLY~C 67 -28.37 6.17 -12.18 -28.74 5.59 -11.72 -28.55 5.88 -11.95 1 0 12.71 -999 ? O5 PG4 C1130 >MET~C 68 -30.41 2.93 -12.23 -31.33 -0.17 -10.57 -30.87 1.38 -11.40 2 0 12.63 -999 ? O5 PG4 C1130 >GLU~C 69 -32.98 6.49 -14.53 -31.30 7.57 -15.23 -32.14 7.03 -14.88 2 0 15.05 -999 ? O5 PG4 C1130 >LEU~C 70 -28.06 4.92 -17.12 -27.96 7.10 -17.24 -28.01 6.01 -17.18 3 0 11.62 -999 ? O5 PG4 C1130 >LEU~C 71 -27.82 0.05 -14.81 -26.48 0.89 -13.31 -27.15 0.47 -14.06 3 0 7.81 -999 ? O5 PG4 C1130 >LYS~C 72 -30.04 -1.92 -18.45 -35.52 -4.48 -19.87 -32.78 -3.20 -19.16 2 0 14.53 -999 ? C8 PG4 C1130 >GLU~C 73 -31.10 0.84 -22.65 -31.54 -0.70 -24.06 -31.32 0.07 -23.35 2 0 12.72 -999 ? C8 PG4 C1130 >LYS~C 74 -25.41 0.29 -20.42 -23.28 5.14 -19.07 -24.34 2.72 -19.74 2 0 8.83 -999 ? O5 PG4 C1130 >LYS~C 75 -25.23 -3.43 -19.70 -23.01 -7.64 -16.61 -24.12 -5.53 -18.15 2 0 -2.86 -999 ? O3 PG4 C1130s >ALA~C 76 -26.43 -4.34 -23.18 -27.76 -3.97 -23.83 -27.10 -4.15 -23.51 2 0 8.86 -999 ? O4 PG4 C1130 >ARG~C 77 -24.62 1.84 -25.17 -22.44 3.18 -26.88 -23.53 2.51 -26.03 2 0 11.94 -999 ? C8 PG4 C1130 >SER~C 78 -21.03 -3.47 -22.49 -21.84 -4.21 -20.38 -21.44 -3.84 -21.43 2 0 -2.69 -999 ? O4 PG4 C1130s >LEU~C 79 -23.61 -7.54 -23.45 -24.33 -8.75 -21.78 -23.97 -8.15 -22.62 3 0 -4.57 -999 ? C5 PG4 C1130s >ILE~C 80 -22.60 -4.86 -27.98 -23.50 -4.40 -28.98 -23.05 -4.63 -28.48 3 0 9.85 -999 ? C5 PG4 C1130 >ALA~C 81 -18.49 -4.25 -26.46 -18.29 -3.13 -25.42 -18.39 -3.69 -25.94 2 0 7.50 -999 ? C6 PG4 C1130 >GLU~C 82 -17.10 -6.77 -22.35 -17.12 -7.39 -20.35 -17.11 -7.08 -21.35 2 0 -3.24 -999 ? C6 PG4 C1130s >GLY~C 83 -18.67 -9.66 -27.39 -18.12 -9.02 -27.43 -18.40 -9.34 -27.41 1 0 8.16 -999 ? C1 PG4 C1130 >LYS~C 84 -16.84 -7.52 -29.99 -18.72 -1.90 -31.54 -17.78 -4.71 -30.76 2 0 13.44 -999 ? C6 PG4 C1130 >ASP~C 85 -13.20 -7.46 -26.79 -13.21 -5.39 -26.57 -13.21 -6.42 -26.68 2 0 10.22 -999 ? C6 PG4 C1130 >LEU~C 86 -15.11 -12.44 -27.61 -15.01 -13.25 -25.57 -15.06 -12.84 -26.59 3 0 9.11 -999 ? C1 PG4 C1130 >PHE~C 87 -16.79 -10.60 -33.81 -17.70 -10.94 -36.44 -17.25 -10.77 -35.13 3 0 15.40 -999 ? C1 PG4 C1130 >GLU~C 88 -13.02 -7.10 -32.81 -13.13 -6.14 -34.68 -13.08 -6.62 -33.75 2 0 16.97 -999 ? C5 PG4 C1130 >THR~C 89 -9.88 -12.10 -31.19 -9.64 -11.56 -29.11 -9.76 -11.83 -30.15 2 0 14.94 -999 ? C2 PG4 C1130 >ALA.C 90 -11.69 -14.70 -33.35 -10.59 -15.20 -34.29 -11.14 -14.95 -33.82 2 0 17.94 -999 ? C1 PG4 C1130 >ASN~C 91 -13.13 -16.06 -29.02 -11.08 -16.56 -28.64 -12.11 -16.31 -28.83 2 0 14.02 -999 ? C1 PG4 C1130 >TYR~C 92 -16.16 -16.08 -34.53 -14.48 -14.63 -36.23 -15.32 -15.35 -35.38 3 0 16.40 -999 ? C1 PG4 C1130 >GLY~C 93 -18.29 -19.21 -30.01 -17.99 -18.45 -29.78 -18.14 -18.83 -29.89 1 0 11.76 -999 ? O1 PG4 C1130 >GLU~C 94 -15.29 -17.95 -25.87 -13.58 -17.15 -24.98 -14.43 -17.55 -25.42 2 0 10.36 -999 ? O1 PG4 C1130 >ALA~C 95 -18.72 -14.02 -28.41 -18.14 -13.41 -29.67 -18.43 -13.72 -29.04 2 0 9.85 -999 ? C1 PG4 C1130 >LEU~C 96 -22.38 -16.85 -29.95 -24.08 -18.13 -30.36 -23.23 -17.49 -30.15 3 0 10.59 -999 ? O1 PG4 C1130 >VAL~C 97 -23.28 -15.61 -25.73 -22.76 -16.83 -24.00 -23.02 -16.22 -24.87 3 0 5.21 -999 ? O1 PG4 C1130 >PHE~C 98 -20.24 -11.57 -24.37 -18.49 -12.15 -22.27 -19.36 -11.86 -23.32 3 0 -3.85 -999 ? C1 PG4 C1130s >PHE~C 99 -22.61 -10.62 -30.21 -20.05 -9.49 -30.75 -21.33 -10.05 -30.48 3 0 10.28 -999 ? C1 PG4 C1130 >GLU~C 100 -27.07 -15.72 -28.38 -28.84 -16.81 -28.81 -27.96 -16.26 -28.60 2 0 11.21 -999 ? O1 PG4 C1130 >LYS~C 101 -27.44 -11.68 -24.14 -24.62 -14.57 -19.42 -26.03 -13.13 -21.78 2 0 -2.55 -999 ? O1 PG4 C1130s >ALA~C 102 -27.42 -8.11 -25.47 -26.21 -7.45 -26.18 -26.82 -7.78 -25.82 2 0 8.71 -999 ? C5 PG4 C1130 >LEU~C 103 -29.89 -9.83 -29.16 -31.45 -10.15 -30.60 -30.67 -9.99 -29.88 3 0 13.07 -999 ? C1 PG4 C1130 >ASN~C 104 -32.39 -11.53 -24.93 -32.78 -13.02 -26.43 -32.58 -12.28 -25.68 2 0 12.31 -999 ? O1 PG4 C1130 >LEU~C 105 -30.30 -7.36 -22.16 -29.90 -6.73 -20.13 -30.10 -7.04 -21.14 3 0 9.45 -999 ? O3 PG4 C1130 >SER~C 106 -31.92 -4.19 -24.90 -31.13 -2.43 -26.36 -31.52 -3.31 -25.63 2 0 13.31 -999 ? O4 PG4 C1130 >ASP.C 107 -35.87 -1.56 -24.43 -36.34 -2.85 -22.80 -36.10 -2.21 -23.62 2 0 16.10 -999 ? C8 PG4 C1130 >ASN~C 108 -31.84 0.42 -27.78 -31.41 2.13 -28.96 -31.63 1.27 -28.37 2 0 16.59 -999 ? C8 PG4 C1130 >GLU~C 109 -35.52 1.04 -31.85 -35.78 2.73 -33.13 -35.65 1.89 -32.49 2 0 22.49 -999 ? C8 PG4 C1130 >GLU~C 110 -28.66 1.59 -33.06 -27.87 1.89 -35.00 -28.26 1.74 -34.03 2 0 19.54 -999 ? O4 PG4 C1130 >ILE~C 111 -28.01 -1.33 -29.13 -27.95 -1.42 -28.18 -27.98 -1.38 -28.66 3 0 13.17 -999 ? O4 PG4 C1130 >LYS~C 112 -30.77 -4.95 -30.93 -36.61 -5.10 -28.72 -33.69 -5.03 -29.82 2 0 18.47 -999 ? C1 PG4 C1130 >LYS~C 113 -29.79 -4.79 -34.65 -32.21 0.00 -37.08 -31.00 -2.39 -35.87 2 0 22.50 -999 ? C5 PG4 C1130 >ILE~C 114 -25.37 -3.26 -32.97 -24.47 -2.17 -32.71 -24.92 -2.71 -32.84 3 0 14.95 -999 ? C5 PG4 C1130 >ALA~C 115 -26.28 -7.35 -31.45 -27.18 -7.42 -30.20 -26.73 -7.38 -30.82 2 0 12.20 -999 ? C1 PG4 C1130 >SER~C 116 -28.23 -9.27 -34.09 -30.04 -9.74 -35.59 -29.14 -9.51 -34.84 2 0 17.33 -999 ? C1 PG4 C1130 >PHE~C 117 -23.87 -7.02 -38.03 -21.75 -7.13 -39.85 -22.81 -7.07 -38.94 3 0 19.24 -999 ? C1 PG4 C1130 >TYR~C 118 -21.30 -7.93 -33.87 -19.60 -5.89 -34.73 -20.45 -6.91 -34.30 3 0 14.79 -999 ? C5 PG4 C1130 >LEU~C 119 -26.14 -12.79 -32.78 -27.03 -14.39 -31.63 -26.58 -13.59 -32.21 3 0 12.55 -999 ? C1 PG4 C1130 >GLU~C 120 -27.35 -14.00 -38.85 -28.54 -15.05 -37.43 -27.94 -14.52 -38.14 2 0 18.24 -999 ? C1 PG4 C1130 >GLU~C 121 -21.26 -10.90 -38.89 -21.15 -11.60 -40.90 -21.21 -11.25 -39.89 2 0 20.36 -999 ? C1 PG4 C1130 >CYH~C 122 -20.89 -15.62 -35.11 -20.20 -14.08 -32.87 -20.55 -14.85 -33.99 2 0 12.47 -999 ? C1 PG4 C1130 >ARG~C 123 -26.79 -18.17 -34.77 -29.12 -16.66 -33.48 -27.95 -17.42 -34.12 2 0 15.20 -999 ? O1 PG4 C1130 >LYS~C 124 -21.90 -17.95 -39.79 -22.86 -12.89 -43.01 -22.38 -15.42 -41.40 2 0 22.44 -999 ? C1 PG4 C1130 >LYS~C 125 -18.46 -18.75 -38.32 -16.55 -15.57 -41.09 -17.51 -17.16 -39.70 2 0 21.37 -999 ? C1 PG4 C1130 >LEU~C 126 -20.99 -21.60 -35.33 -20.67 -21.36 -33.23 -20.83 -21.48 -34.28 3 0 15.98 -999 ? O1 PG4 C1130 >ALA~C 127 -21.48 -22.98 -39.56 -22.74 -22.35 -40.13 -22.11 -22.67 -39.85 2 0 21.60 -999 ? O1 PG4 C1130 >GLY.C 128 -18.12 -22.67 -41.34 -18.70 -22.15 -41.48 -18.41 -22.41 -41.41 1 0 23.20 -999 ? O1 PG4 C1130 >ASP.C 129 -20.26 -19.29 -43.87 -21.24 -21.06 -44.56 -20.75 -20.18 -44.21 2 0 25.37 -999 ? C1 PG4 C1130 >MET~D 27 13.61 -3.54 -78.94 16.10 -0.47 -79.07 14.85 -2.01 -79.01 2 0 32.63 -999 ? C6 P6G D1130 >ASN~D 28 12.87 -6.23 -74.94 11.61 -6.49 -73.22 12.24 -6.36 -74.08 2 0 29.34 -999 ? C6 P6G D1130 >LEU~D 29 17.64 -3.21 -75.54 19.15 -4.80 -75.73 18.40 -4.00 -75.64 3 0 30.02 -999 ? C6 P6G D1130 >ALA~D 30 14.96 0.45 -75.16 14.44 1.05 -76.44 14.70 0.75 -75.80 2 0 29.97 -999 ? C6 P6G D1130 >VAL~D 31 11.98 -0.35 -72.94 10.00 -1.25 -73.20 10.99 -0.80 -73.07 3 0 27.66 -999 ? C6 P6G D1130 >LYS~D 32 14.22 -2.15 -70.37 13.65 -7.80 -70.43 13.94 -4.97 -70.40 2 0 27.03 -999 ? C6 P6G D1130 >LEU~D 33 17.19 1.44 -71.70 18.51 3.04 -71.02 17.85 2.24 -71.36 3 0 24.56 -999 ? C6 P6G D1130 >THR~D 34 13.70 3.26 -69.58 12.20 4.34 -70.72 12.95 3.80 -70.15 2 0 24.52 -999 ? C6 P6G D1130 >ARG~D 35 10.98 -2.55 -67.37 13.68 -3.80 -66.48 12.33 -3.17 -66.92 2 0 21.81 -999 ? C6 P6G D1130 >MET~D 36 16.05 1.13 -65.35 17.39 -1.97 -65.03 16.72 -0.42 -65.19 2 0 19.34 -999 ? C6 P6G D1130 >GLU~D 37 16.41 7.14 -67.21 16.99 7.91 -69.11 16.70 7.52 -68.16 2 0 22.00 -999 ? C9 P6G D1130 >LYS~D 38 13.18 5.53 -63.93 7.70 4.95 -66.54 10.44 5.24 -65.24 2 0 22.21 -999 ? C6 P6G D1130 >THR~D 39 14.20 3.05 -61.19 14.08 0.91 -60.92 14.14 1.98 -61.05 2 0 15.06 -999 ? C6 P6G D1130 >LEU~D 40 18.53 5.09 -62.01 20.58 4.43 -62.09 19.55 4.76 -62.05 3 0 15.03 -999 ? C8 P6G D1130 >LYS~D 41 15.84 8.23 -60.47 13.98 13.25 -60.76 14.91 10.74 -60.62 2 0 14.07 -999 ? C15 P6G D1130 >ALA~D 42 13.53 6.70 -57.84 12.64 5.49 -58.11 13.08 6.10 -57.97 2 0 12.47 -999 ? C6 P6G D1130 >TYR~D 43 17.02 2.86 -56.49 16.12 0.22 -56.60 16.57 1.54 -56.54 3 0 10.27 -999 ? C6 P6G D1130 >GLU~D 44 19.96 8.54 -58.15 20.29 9.21 -60.12 20.12 8.88 -59.13 2 0 13.05 -999 ? C9 P6G D1130 >LEU~D 45 13.88 10.45 -55.46 13.15 11.98 -56.83 13.51 11.22 -56.14 3 0 10.26 -999 ? C15 P6G D1130 >TYR~D 46 14.78 5.72 -50.79 14.70 4.54 -48.27 14.74 5.13 -49.53 3 0 -4.28 -999 ? C6 P6G D1130s >ILE~D 47 19.86 7.69 -51.78 20.81 6.75 -52.00 20.33 7.22 -51.89 3 0 -4.89 -999 ? C8 P6G D1130s >PHE~D 48 21.21 11.49 -53.11 23.48 9.91 -53.52 22.35 10.70 -53.31 3 0 -7.47 -999 ? C9 P6G D1130s >SER~D 49 15.84 13.68 -51.40 14.22 14.93 -52.69 15.03 14.30 -52.04 2 0 -6.76 -999 ? C15 P6G D1130s >ASP~D 50 11.91 14.56 -48.67 12.89 16.26 -47.87 12.40 15.41 -48.27 2 0 5.15 -999 ? O16 P6G D1130 >TYR~D 51 9.62 8.34 -47.74 8.38 5.93 -48.44 9.00 7.14 -48.09 3 0 9.17 -999 ? O7 P6G D1130 >GLU~D 52 7.48 14.12 -48.51 7.76 13.12 -46.67 7.62 13.62 -47.59 2 0 9.77 -999 ? O16 P6G D1130 >ASN~D 53 11.02 13.95 -53.31 10.93 15.95 -52.55 10.97 14.95 -52.93 2 0 9.14 -999 ? O16 P6G D1130 >PHE~D 54 11.23 7.23 -52.90 10.96 4.47 -53.21 11.10 5.85 -53.06 3 0 9.38 -999 ? C6 P6G D1130 >GLU~D 55 5.29 7.89 -51.10 4.11 8.75 -49.57 4.70 8.32 -50.34 2 0 14.43 -999 ? O7 P6G D1130 >ASN~D 56 5.59 12.59 -55.26 4.79 13.42 -53.45 5.19 13.00 -54.35 2 0 14.55 -999 ? O16 P6G D1130 >TYR~D 57 9.96 9.67 -59.45 11.06 8.95 -61.91 10.51 9.31 -60.68 3 0 15.84 -999 ? C9 P6G D1130 >VAL~D 58 7.08 6.20 -57.77 7.83 4.60 -56.44 7.45 5.40 -57.10 3 0 14.75 -999 ? C6 P6G D1130 >LYS~D 59 3.27 6.90 -57.68 0.31 8.60 -52.41 1.79 7.75 -55.05 2 0 18.77 -999 ? O7 P6G D1130 >LYS~D 60 3.35 9.26 -60.71 0.52 11.83 -63.90 1.94 10.54 -62.31 2 0 24.27 -999 ? C15 P6G D1130 >GLU~D 61 7.67 8.26 -62.85 7.30 9.08 -64.79 7.48 8.67 -63.82 2 0 21.02 -999 ? C9 P6G D1130 >GLY~D 62 3.86 3.59 -61.51 4.65 3.76 -61.54 4.25 3.68 -61.53 1 0 20.43 -999 ? C6 P6G D1130 >LEU.D 63 8.42 2.69 -60.22 9.99 3.13 -61.63 9.20 2.91 -60.93 3 0 16.70 -999 ? C6 P6G D1130 >LYS.D 64 7.23 -1.35 -58.56 7.04 -5.82 -62.03 7.14 -3.58 -60.30 2 0 21.53 -999 ? C6 P6G D1130 >ILE.D 65 10.58 0.27 -55.35 11.73 0.98 -55.94 11.15 0.63 -55.65 3 0 11.91 -999 ? C6 P6G D1130 >GLU.D 66 11.50 -6.01 -56.32 9.81 -7.18 -55.76 10.65 -6.59 -56.04 2 0 17.04 -999 ? C6 P6G D1130 >GLY~D 67 11.46 -3.78 -50.70 10.94 -3.36 -51.20 11.20 -3.57 -50.95 1 0 11.48 -999 ? C5 P6G D1130 >MET~D 68 9.09 -0.77 -50.99 8.49 2.12 -52.39 8.79 0.67 -51.69 2 0 11.39 -999 ? C6 P6G D1130 >GLU~D 69 5.13 -2.81 -47.72 4.71 -3.46 -49.70 4.92 -3.13 -48.71 2 0 15.99 -999 ? C6 P6G D1130 >LEU~D 70 11.83 -2.12 -46.05 12.13 -4.20 -45.51 11.98 -3.16 -45.78 3 0 9.48 -999 ? O1 P6G D1130 >LEU~D 71 11.44 2.52 -48.70 12.78 1.60 -50.15 12.11 2.06 -49.42 3 0 7.06 -999 ? C6 P6G D1130 >LYS~D 72 9.63 4.64 -45.08 4.33 7.57 -43.39 6.98 6.11 -44.24 2 0 14.11 -999 ? O7 P6G D1130 >GLU~D 73 8.90 2.49 -40.53 8.63 4.21 -39.28 8.77 3.35 -39.90 2 0 10.67 -999 ? O1 P6G D1130 >LYS~D 74 14.51 2.78 -43.17 17.25 -1.27 -44.64 15.88 0.76 -43.90 2 0 -4.32 -999 ? C2 P6G D1130s >LYS~D 75 14.33 6.41 -44.26 15.86 10.02 -47.66 15.10 8.21 -45.96 2 0 -3.20 -999 ? O13 P6G D1130s >ALA~D 76 13.35 7.56 -40.77 12.01 7.28 -40.05 12.68 7.42 -40.41 2 0 8.45 -999 ? O1 P6G D1130 >ARG~D 77 14.97 1.88 -38.30 12.52 1.24 -36.50 13.74 1.56 -37.40 2 0 8.78 -999 ? O1 P6G D1130 >SER~D 78 18.64 6.84 -41.57 17.91 7.53 -43.73 18.27 7.19 -42.65 2 0 -2.57 -999 ? O10 P6G D1130s >LEU~D 79 15.99 10.92 -40.88 15.13 11.96 -42.64 15.56 11.44 -41.76 3 0 -4.46 -999 ? C12 P6G D1130s >ILE~D 80 17.31 8.62 -36.21 16.78 9.31 -35.04 17.04 8.96 -35.63 3 0 9.47 -999 ? O1 P6G D1130 >ALA~D 81 21.39 8.12 -37.80 21.60 6.90 -38.67 21.50 7.51 -38.23 2 0 6.42 -999 ? O1 P6G D1130 >GLU~D 82 22.48 10.01 -42.20 22.42 10.27 -44.26 22.45 10.14 -43.23 2 0 -3.29 -999 ? C11 P6G D1130s >GLY~D 83 21.02 13.56 -37.58 21.63 12.97 -37.48 21.32 13.26 -37.53 1 0 7.98 -999 ? C18 P6G D1130 >LYS~D 84 23.08 11.99 -34.73 21.14 6.51 -33.38 22.11 9.25 -34.06 2 0 10.25 -999 ? O1 P6G D1130 >ASP~D 85 26.47 11.48 -38.21 26.51 9.40 -38.05 26.49 10.44 -38.13 2 0 10.24 -999 ? C11 P6G D1130 >LEU~D 86 24.52 16.51 -38.13 24.47 16.89 -40.23 24.49 16.70 -39.18 3 0 8.72 -999 ? C18 P6G D1130 >PHE~D 87 23.55 15.85 -31.50 22.92 16.84 -28.96 23.24 16.34 -30.23 3 0 15.25 -999 ? C18 P6G D1130 >GLU~D 88 27.48 12.16 -32.01 27.65 12.79 -30.00 27.56 12.48 -31.00 2 0 17.52 -999 ? C12 P6G D1130 >THR~D 89 30.11 16.81 -35.09 30.09 15.90 -37.05 30.10 16.36 -36.07 2 0 14.44 -999 ? C17 P6G D1130 >ALA.D 90 28.43 19.70 -33.25 29.64 20.34 -32.58 29.03 20.02 -32.91 2 0 17.47 -999 ? C18 P6G D1130 >ASN~D 91 26.57 20.44 -37.63 28.54 20.81 -38.21 27.56 20.62 -37.92 2 0 13.51 -999 ? O19 P6G D1130 >TYR~D 92 24.24 21.35 -31.93 26.12 20.12 -30.25 25.18 20.73 -31.09 3 0 16.07 -999 ? C18 P6G D1130 >GLY~D 93 21.50 23.72 -36.70 21.81 22.93 -36.81 21.66 23.33 -36.75 1 0 11.29 -999 ? O19 P6G D1130 >GLU~D 94 24.07 21.72 -40.89 25.61 20.78 -41.98 24.84 21.25 -41.43 2 0 9.44 -999 ? O19 P6G D1130 >ALA~D 95 20.99 18.21 -37.32 21.64 17.75 -36.04 21.31 17.98 -36.68 2 0 9.46 -999 ? C18 P6G D1130 >LEU~D 96 17.51 21.39 -36.10 15.86 22.74 -35.88 16.68 22.06 -35.99 3 0 10.22 -999 ? O19 P6G D1130 >VAL~D 97 16.42 19.33 -40.05 16.76 20.45 -41.92 16.59 19.89 -40.98 3 0 -4.86 -999 ? O19 P6G D1130s >PHE~D 98 19.42 15.07 -40.90 21.07 15.22 -43.15 20.25 15.14 -42.03 3 0 -3.66 -999 ? C18 P6G D1130s >PHE~D 99 17.40 15.07 -34.81 19.85 13.95 -34.07 18.63 14.51 -34.44 3 0 10.07 -999 ? C18 P6G D1130 >GLU~D 100 11.11 19.18 -38.13 10.21 19.66 -36.27 10.66 19.42 -37.20 2 0 11.53 -999 ? O19 P6G D1130 >LYS~D 101 12.04 15.06 -40.68 14.50 17.55 -45.86 13.27 16.30 -43.27 2 0 -3.05 -999 ? O19 P6G D1130s >ALA~D 102 12.48 11.81 -38.76 13.67 11.43 -37.93 13.07 11.62 -38.35 2 0 8.61 -999 ? C12 P6G D1130 >LEU~D 103 9.97 14.18 -35.42 8.61 14.71 -33.79 9.29 14.44 -34.60 3 0 12.85 -999 ? C18 P6G D1130 >ASN~D 104 7.42 15.00 -39.68 7.34 16.70 -38.37 7.38 15.85 -39.03 2 0 11.84 -999 ? C18 P6G D1130 >LEU~D 105 9.44 10.53 -41.97 9.61 9.55 -43.87 9.52 10.04 -42.92 3 0 9.27 -999 ? O13 P6G D1130 >SER~D 106 8.27 7.70 -38.86 9.17 6.34 -37.11 8.72 7.02 -37.99 2 0 11.54 -999 ? O1 P6G D1130 >ASP.D 107 4.55 4.63 -38.29 4.19 5.10 -40.34 4.37 4.86 -39.31 2 0 14.84 -999 ? O1 P6G D1130 >ASN~D 108 8.90 3.92 -35.18 9.80 2.60 -33.76 9.35 3.26 -34.47 2 0 12.52 -999 ? O1 P6G D1130 >GLU~D 109 4.39 5.46 -30.92 3.12 7.08 -30.47 3.75 6.27 -30.69 2 0 20.19 -999 ? O1 P6G D1130 >GLU~D 110 12.41 4.04 -29.37 12.28 4.39 -27.28 12.34 4.22 -28.32 2 0 16.67 -999 ? O1 P6G D1130 >ILE~D 111 12.50 6.65 -34.56 13.01 5.56 -35.53 12.75 6.10 -35.05 3 0 10.16 -999 ? O1 P6G D1130 >LYS~D 112 9.54 9.95 -32.52 4.98 7.78 -34.65 7.26 8.87 -33.58 2 0 16.61 -999 ? O1 P6G D1130 >LYS~D 113 10.74 10.01 -28.88 5.91 8.82 -26.43 8.32 9.41 -27.65 2 0 21.47 -999 ? O1 P6G D1130 >ILE~D 114 15.12 8.83 -30.78 15.94 7.76 -31.02 15.53 8.30 -30.90 3 0 13.31 -999 ? O1 P6G D1130 >ALA~D 115 13.81 12.67 -32.57 12.84 12.61 -33.73 13.33 12.64 -33.15 2 0 12.07 -999 ? C18 P6G D1130 >SER~D 116 11.98 14.89 -30.11 9.63 14.31 -30.33 10.81 14.60 -30.22 2 0 16.17 -999 ? C18 P6G D1130 >PHE~D 117 16.56 13.15 -26.24 18.92 13.35 -24.73 17.74 13.25 -25.49 3 0 19.06 -999 ? C18 P6G D1130 >TYR~D 118 19.04 13.52 -30.73 20.87 11.60 -29.89 19.96 12.56 -30.31 3 0 14.64 -999 ? C18 P6G D1130 >LEU~D 119 13.90 18.18 -31.81 13.32 18.29 -33.87 13.61 18.24 -32.84 3 0 12.39 -999 ? C18 P6G D1130 >GLU~D 120 14.39 19.77 -25.34 13.72 21.78 -25.43 14.05 20.77 -25.38 2 0 20.19 -999 ? C18 P6G D1130 >GLU~D 121 19.28 17.06 -26.24 19.68 17.98 -24.36 19.48 17.52 -25.30 2 0 20.22 -999 ? C18 P6G D1130 >CYH~D 122 19.52 21.12 -30.74 19.88 19.17 -32.70 19.70 20.15 -31.72 2 0 12.34 -999 ? C18 P6G D1130 >ARG~D 123 13.45 23.46 -30.88 10.46 22.96 -30.27 11.96 23.21 -30.57 2 0 17.23 -999 ? O19 P6G D1130 >LYS~D 124 19.08 24.23 -26.35 16.70 20.75 -21.70 17.89 22.49 -24.02 2 0 23.19 -999 ? C18 P6G D1130 >LYS~D 125 22.36 24.47 -28.29 24.66 21.32 -25.50 23.51 22.90 -26.89 2 0 20.88 -999 ? C18 P6G D1130 >LEU~D 126 19.64 27.10 -31.39 19.65 26.64 -33.51 19.64 26.87 -32.45 3 0 15.96 -999 ? O19 P6G D1130 >ALA~D 127 19.87 29.05 -27.32 18.84 28.51 -26.37 19.36 28.78 -26.84 2 0 21.80 -999 ? O19 P6G D1130 >GLY.D 128 23.42 29.13 -25.94 22.84 28.44 -25.92 23.13 28.79 -25.93 1 0 23.24 -999 ? O19 P6G D1130 >ASP.D 129 23.03 25.83 -22.84 23.72 24.15 -23.95 23.38 24.99 -23.39 2 0 22.88 -999 ? C18 P6G D1130