REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JAN-07 2E87 COMPND HYPOTHETICAL PROTEIN PH1320; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HYPOTHETICAL GTP-BINDING PROTEIN PH1320; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR M.KUKIMOTO-NIINO,Y.BESSHO,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE A 8 8 HET MSE A 95 8 HET SO4 A 401 5 HET SO4 A 402 5 HET SO4 A 403 5 HET SO4 A 404 5 HET GDP A 400 28 SITE 1 AC1 7 GLY A 70 LEU A 71 SER A 72 HIS A 92 SITE 1 AC2 3 ARG A 154 GLU A 155 LYS A 158 SITE 1 AC3 3 PRO A 75 LYS A 76 HOH A 453 SITE 1 AC4 4 TYR A 149 LYS A 152 ALA A 153 HOH A 424 SITE 1 AC5 17 LYS A 38 HIS A 175 ASN A 177 VAL A 178 >MET?A 1 34.01 44.86 6.85 35.30 48.11 9.37 34.65 46.49 8.11 2 0 14.15 -999 ? O1 SO4 A 403 >ARG.A 2 30.10 43.60 2.67 30.27 46.19 1.01 30.18 44.89 1.84 2 0 12.93 -999 ? O1 SO4 A 402 >ASN.A 3 25.88 47.14 6.03 24.07 47.10 7.15 24.97 47.12 6.59 2 0 10.77 -999 ? O1 SO4 A 402 >PRO.A 4 25.99 42.16 8.05 25.74 42.95 5.98 25.87 42.56 7.02 3 0 12.44 -999 ? O1 SO4 A 403 >PHE.A 5 20.83 43.03 6.47 20.49 41.09 8.44 20.66 42.06 7.45 3 0 9.69 -999 ? O2 SO4 A 401 >GLU.A 6 25.81 45.54 0.91 26.42 46.27 -0.98 26.12 45.90 -0.04 2 0 9.60 -999 ? O1 SO4 A 402 >ARG.A 7 24.63 41.65 -2.94 23.65 39.23 -4.57 24.14 40.44 -3.76 2 0 13.73 -999 ? O3 SO4 A 402 >MET?A 8 18.97 43.06 0.56 16.40 42.91 4.06 17.69 42.98 2.31 2 0 9.78 -999 ? O3 SO4 A 404 >PRO.A 9 16.12 42.07 -2.51 17.10 43.93 -1.79 16.61 43.00 -2.15 3 0 8.19 -999 ? O3 SO4 A 402 >THR.A 10 13.72 46.58 -1.96 13.25 48.63 -2.42 13.48 47.60 -2.19 2 0 4.88 -999 ? O3 SO4 A 402 >VAL.A 11 10.69 44.33 -1.45 10.28 42.90 0.13 10.48 43.61 -0.66 3 0 10.30 -999 ? O3 SO4 A 402 >LEU.A 12 7.57 44.41 -5.16 8.33 45.40 -6.94 7.95 44.90 -6.05 3 0 12.07 -999 ? O3 SO4 A 402 >THR~A 13 4.30 45.30 -2.14 3.64 47.39 -2.19 3.97 46.34 -2.16 2 0 14.26 -999 ? O3 SO4 A 402 >ALA~A 14 1.60 42.74 -2.92 0.47 42.30 -1.98 1.03 42.52 -2.45 2 0 17.20 -999 ? O3 SO4 A 404 >ASP~A 15 -0.66 46.57 -4.95 -2.37 46.41 -3.75 -1.51 46.49 -4.35 2 0 19.38 -999 ? O2 SO4 A 404 >GLU~A 16 4.11 48.08 -5.75 5.75 48.85 -4.60 4.93 48.47 -5.18 2 0 12.17 -999 ? O3 SO4 A 402 >LEU~A 17 4.24 41.40 -6.50 5.76 39.91 -6.90 5.00 40.65 -6.70 3 0 16.94 -999 ? O3 SO4 A 402 >ILE~A 18 -0.83 42.04 -8.08 -2.07 41.71 -7.48 -1.45 41.88 -7.78 3 0 21.81 -999 ? O3 SO4 A 402 >ASP~A 19 0.69 46.04 -10.94 -1.15 46.77 -10.18 -0.23 46.41 -10.56 2 0 20.78 -999 ? O3 SO4 A 402 >LYS~A 20 4.12 43.63 -12.48 9.33 44.73 -12.47 6.73 44.18 -12.47 2 0 14.78 -999 ? O3 SO4 A 402 >ALA~A 21 3.06 40.02 -12.95 2.72 39.08 -11.81 2.89 39.55 -12.38 2 0 21.44 -999 ? O3 SO4 A 402 >PHE~A 22 -2.20 40.60 -13.05 -3.53 39.11 -11.06 -2.87 39.85 -12.06 3 0 25.33 -999 ? O3 SO4 A 402 >ARG~A 23 3.13 46.86 -17.01 4.93 46.69 -14.51 4.03 46.77 -15.76 2 0 18.30 -999 ? O3 SO4 A 402 >ARG~A 24 7.49 40.85 -17.93 9.23 42.10 -15.74 8.36 41.48 -16.83 2 0 18.45 -999 ? O3 SO4 A 402 >ALA~A 25 1.53 38.26 -18.63 0.58 37.66 -17.59 1.06 37.96 -18.11 2 0 26.67 -999 ? O3 SO4 A 402 >GLU~A 26 -1.65 42.92 -21.25 -2.44 44.64 -20.31 -2.04 43.78 -20.78 2 0 27.85 -999 ? O3 SO4 A 402 >LYS~A 27 2.63 41.55 -22.80 8.26 44.55 -22.89 5.45 43.05 -22.84 2 0 23.84 -999 ? O3 SO4 A 402 >ALA~A 28 3.66 37.94 -23.33 4.14 36.98 -22.25 3.90 37.46 -22.79 2 0 28.14 -999 ? O3 SO4 A 402 >ALA~A 29 0.20 36.87 -24.48 -1.05 36.86 -23.60 -0.43 36.87 -24.04 2 0 31.87 -999 ? O3 SO4 A 402 >SER~A 30 -0.31 39.44 -27.24 0.72 41.56 -26.71 0.20 40.50 -26.97 2 0 31.41 -999 ? O3 SO4 A 402 >SER~A 31 3.07 38.79 -28.85 4.91 38.97 -27.30 3.99 38.88 -28.07 2 0 30.83 -999 ? O3 SO4 A 402 >PHE.A 32 2.07 32.84 -27.42 2.20 30.04 -27.28 2.13 31.44 -27.35 3 0 35.64 -999 ? O3 SO4 A 402 >LYS.A 33 1.73 33.17 -31.90 3.07 38.14 -33.66 2.40 35.65 -32.78 2 0 37.21 -999 ? O3 SO4 A 402 >PRO.A 34 -1.84 32.00 -29.73 -0.34 30.99 -30.98 -1.09 31.49 -30.35 3 0 39.23 -999 ? O3 SO4 A 402 >ARG.A 35 1.29 25.38 -34.20 3.42 24.72 -36.32 2.36 25.05 -35.26 2 0 45.60 -999 ? O3 SO4 A 402 >GLY.A 36 -4.05 25.92 -34.55 -4.21 26.24 -33.90 -4.13 26.08 -34.22 1 0 46.52 -999 ? O3 SO4 A 402 >ASN~A 37 -8.10 24.29 -32.60 -10.20 24.01 -32.38 -9.15 24.15 -32.49 2 0 49.28 -999 ? O3 SO4 A 402 >LYS~A 38 -9.39 28.65 -32.20 -14.41 32.31 -30.51 -11.90 30.48 -31.36 2 0 -46.76 -999 ? O3 SO4 A 402s >VAL~A 39 -9.91 27.03 -28.77 -11.47 25.82 -27.82 -10.69 26.42 -28.30 3 0 45.80 -999 ? O3 SO4 A 402 >LYS~A 40 -6.42 25.55 -28.82 -1.75 22.87 -29.64 -4.08 24.21 -29.23 2 0 43.19 -999 ? O3 SO4 A 401 >LYS~A 41 -4.95 29.04 -29.35 -4.15 30.68 -35.44 -4.55 29.86 -32.40 2 0 44.83 -999 ? O3 SO4 A 402 >ALA~A 42 -6.85 30.61 -26.47 -8.37 30.69 -26.34 -7.61 30.65 -26.41 2 0 41.00 -999 ? O3 SO4 A 402 >ARG~A 43 -6.50 23.75 -23.92 -7.56 22.20 -26.36 -7.03 22.97 -25.14 2 0 43.59 -999 ? O3 SO4 A 401 >LEU~A 44 -1.47 27.75 -26.46 -1.06 25.84 -27.37 -1.26 26.80 -26.91 3 0 39.60 -999 ? O3 SO4 A 402 >ARG~A 45 -3.34 34.64 -26.67 -3.63 34.61 -29.72 -3.48 34.63 -28.20 2 0 38.61 -999 ? O3 SO4 A 402 >GLU~A 46 -6.57 31.30 -21.61 -6.99 33.18 -20.73 -6.78 32.24 -21.17 2 0 35.67 -999 ? O3 SO4 A 402 >GLU~A 47 -2.03 26.17 -20.81 -1.65 24.61 -22.18 -1.84 25.39 -21.50 2 0 36.48 -999 ? O3 SO4 A 401 >LEU~A 48 1.41 31.77 -22.44 3.22 32.83 -23.03 2.32 32.30 -22.74 3 0 31.90 -999 ? O3 SO4 A 402 >ARG~A 49 -3.45 35.81 -19.89 -4.44 36.27 -22.75 -3.95 36.04 -21.32 2 0 33.67 -999 ? O3 SO4 A 402 >VAL~A 50 -0.59 31.28 -15.92 -1.87 29.68 -15.23 -1.23 30.48 -15.57 3 0 30.42 -999 ? O3 SO4 A 401 >ARG~A 51 4.28 27.40 -18.22 2.82 25.93 -20.47 3.55 26.66 -19.35 2 0 32.60 -999 ? O3 SO4 A 401 >THR~A 52 4.23 34.05 -16.74 4.36 35.28 -18.53 4.30 34.66 -17.63 2 0 26.44 -999 ? O3 SO4 A 402 >VAL~A 53 2.37 35.25 -13.64 0.38 35.82 -13.01 1.37 35.53 -13.32 3 0 25.13 -999 ? O3 SO4 A 402 >SER~A 54 3.78 32.34 -11.70 4.15 30.05 -11.02 3.97 31.20 -11.36 2 0 23.53 -999 ? O3 SO4 A 401 >ASN~A 55 7.92 32.75 -14.22 8.57 30.76 -14.45 8.24 31.76 -14.34 2 0 24.41 -999 ? O3 SO4 A 401 >VAL~A 56 7.37 36.74 -12.39 6.77 38.45 -13.57 7.07 37.59 -12.98 3 0 20.34 -999 ? O3 SO4 A 402 >VAL~A 57 6.01 36.51 -8.86 4.07 36.39 -7.90 5.04 36.45 -8.38 3 0 20.27 -999 ? O3 SO4 A 402 >ARG~A 58 6.41 30.35 -8.61 8.15 29.03 -10.74 7.28 29.69 -9.68 2 0 21.25 -999 ? O3 SO4 A 401 >ASP~A 59 11.55 35.66 -10.79 11.68 33.97 -12.07 11.61 34.81 -11.43 2 0 20.77 -999 ? O3 SO4 A 402 >ASN~A 60 9.80 39.63 -7.71 10.05 40.67 -9.59 9.92 40.15 -8.65 2 0 14.94 -999 ? O3 SO4 A 402 >LEU~A 61 8.81 36.06 -3.84 6.88 36.83 -3.25 7.84 36.44 -3.55 3 0 16.17 -999 ? O2 SO4 A 401 >ARG~A 62 14.08 31.25 -6.43 11.56 29.87 -7.52 12.82 30.56 -6.97 2 0 16.86 -999 ? O3 SO4 A 401 >LYS~A 63 15.30 37.22 -5.00 16.18 41.88 -8.88 15.74 39.55 -6.94 2 0 11.68 -999 ? O3 SO4 A 402 >VAL~A 64 14.45 38.42 -1.47 12.72 39.48 -0.67 13.59 38.95 -1.07 3 0 12.21 -999 ? O2 SO4 A 401 >LEU~A 65 14.43 33.75 -0.15 12.50 33.21 0.62 13.46 33.48 0.23 3 0 9.47 -999 ? O2 SO4 A 401 >GLU~A 66 17.68 33.21 -3.80 17.72 32.84 -5.90 17.70 33.03 -4.85 2 0 14.17 -999 ? O1 SO4 A 401 >ARG~A 67 19.75 40.19 -4.58 19.28 41.32 -7.36 19.51 40.75 -5.97 2 0 11.42 -999 ? O3 SO4 A 402 >THR~A 68 19.18 38.49 2.34 17.36 39.34 3.12 18.27 38.91 2.73 2 0 8.51 -999 ? O2 SO4 A 401 >PRO.A 69 22.08 38.79 5.61 21.31 37.24 4.22 21.70 38.01 4.92 3 0 7.36 -999 ? O2 SO4 A 401 >GLY~A 70 20.28 33.99 6.79 20.93 34.60 6.94 20.61 34.29 6.87 1 0 -2.85 -999 ? O1 SO4 A 401s >LEU~A 71 19.30 35.64 11.26 18.01 37.39 11.04 18.65 36.51 11.15 3 0 -4.57 -999 ? O2 SO4 A 401s >SER~A 72 22.16 32.11 11.53 21.64 30.30 10.01 21.90 31.20 10.77 2 0 -2.81 -999 ? O1 SO4 A 401s >THR~A 73 25.06 32.85 9.14 24.21 33.02 7.15 24.63 32.94 8.14 2 0 4.58 -999 ? O1 SO4 A 401 >LEU~A 74 24.70 37.25 11.06 24.01 38.48 9.42 24.35 37.87 10.24 3 0 8.08 -999 ? O1 SO4 A 401 >PRO~A 75 29.61 37.86 11.99 27.92 36.82 12.98 28.76 37.34 12.48 3 0 -4.55 -999 ? O3 SO4 A 403s >LYS~A 76 26.57 36.61 17.04 27.45 31.59 20.80 27.01 34.10 18.92 2 0 -5.87 -999 ? O4 SO4 A 403s >PHE~A 77 28.29 42.57 17.35 28.04 45.36 17.46 28.16 43.96 17.40 3 0 8.87 -999 ? O2 SO4 A 403 >TYR~A 78 26.31 42.13 12.47 27.90 44.23 11.56 27.10 43.18 12.01 3 0 9.40 -999 ? O1 SO4 A 403 >GLN~A 79 22.95 36.16 14.50 23.47 34.16 15.01 23.21 35.16 14.76 2 0 6.34 -999 ? O2 SO4 A 403 >GLU~A 80 22.60 40.46 21.05 21.30 38.86 21.49 21.95 39.66 21.27 2 0 10.25 -999 ? O2 SO4 A 403 >LEU~A 81 22.83 44.71 16.56 24.01 45.86 17.95 23.42 45.28 17.26 3 0 11.77 -999 ? O2 SO4 A 403 >VAL~A 82 19.47 42.58 14.24 19.52 41.28 12.46 19.50 41.93 13.35 3 0 10.41 -999 ? O2 SO4 A 401 >ASP~A 83 17.56 40.21 17.98 15.93 39.52 19.17 16.75 39.87 18.57 2 0 11.68 -999 ? O1 SO4 A 404 >VAL~A 84 17.32 44.60 18.72 18.65 45.75 20.03 17.99 45.17 19.37 3 0 9.82 -999 ? O1 SO4 A 404 >LEU~A 85 17.51 46.92 14.52 19.07 48.40 14.67 18.29 47.66 14.59 3 0 7.35 -999 ? O1 SO4 A 404 >VAL~A 86 13.74 44.58 13.90 14.89 44.33 12.05 14.32 44.45 12.97 3 0 4.96 -999 ? O1 SO4 A 404 >ASP~A 87 11.60 41.62 16.38 10.96 40.02 17.60 11.28 40.82 16.99 2 0 8.56 -999 ? O4 SO4 A 404 >ARG~A 88 16.48 35.05 16.18 19.42 35.26 16.97 17.95 35.16 16.58 2 0 7.82 -999 ? O4 SO4 A 401 >ASP~A 89 10.77 35.85 16.75 9.18 34.45 16.55 9.98 35.15 16.65 2 0 11.97 -999 ? O2 SO4 A 401 >THR~A 90 9.45 38.55 13.35 8.44 40.42 13.78 8.94 39.48 13.57 2 0 6.41 -999 ? O4 SO4 A 404 >PHE~A 91 14.24 39.49 9.59 15.40 40.39 7.22 14.82 39.94 8.41 3 0 7.78 -999 ? O2 SO4 A 401 >HIS~A 92 14.15 33.54 11.58 16.18 33.08 11.88 15.17 33.31 11.73 3 0 -4.25 -999 ? O2 SO4 A 401s >LYS~A 93 8.54 34.58 10.12 6.34 33.41 15.89 7.44 33.99 13.00 2 0 13.74 -999 ? O2 SO4 A 401 >ALA~A 94 8.18 37.29 7.53 8.71 38.71 7.63 8.45 38.00 7.58 2 0 9.28 -999 ? O4 SO4 A 404 >MET?A 95 10.79 35.51 5.41 13.30 37.41 4.17 12.05 36.46 4.79 2 0 7.87 -999 ? O2 SO4 A 401 >ALA~A 96 8.99 32.21 5.95 8.77 31.51 7.29 8.88 31.86 6.62 2 0 9.18 -999 ? O3 SO4 A 401 >GLY~A 97 5.83 33.86 4.69 6.59 33.78 4.29 6.21 33.82 4.49 1 0 12.76 -999 ? O2 SO4 A 401 >ILE~A 98 8.95 35.47 1.33 9.64 36.64 0.69 9.30 36.05 1.01 3 0 11.92 -999 ? O2 SO4 A 401 >ASP~A 99 9.76 30.27 2.08 9.90 28.20 1.66 9.83 29.24 1.87 2 0 10.46 -999 ? O3 SO4 A 401 >TRP~A 100 2.54 28.56 3.10 0.09 31.39 1.85 1.32 29.97 2.48 3 0 17.46 -999 ? O3 SO4 A 401 >ALA~A 101 3.93 32.11 -0.97 4.03 33.64 -0.97 3.98 32.87 -0.97 2 0 16.86 -999 ? O3 SO4 A 401 >ILE~A 102 8.04 30.90 -3.31 9.37 31.28 -3.74 8.70 31.09 -3.52 3 0 14.82 -999 ? O3 SO4 A 401 >ARG~A 103 7.58 25.14 -0.35 5.65 25.23 2.05 6.62 25.19 0.85 2 0 14.54 -999 ? O3 SO4 A 401 >ILE~A 104 0.86 28.53 -2.09 0.54 27.55 -1.14 0.70 28.04 -1.61 3 0 19.84 -999 ? O3 SO4 A 401 >ILE~A 105 2.80 31.02 -6.39 2.82 32.38 -6.70 2.81 31.70 -6.54 3 0 21.04 -999 ? O3 SO4 A 401 >ARG~A 106 6.41 25.68 -9.45 6.66 24.66 -12.33 6.53 25.17 -10.89 2 0 23.99 -999 ? O3 SO4 A 401 >GLU~A 107 0.38 22.95 -5.07 -0.25 22.85 -3.06 0.06 22.90 -4.07 2 0 22.55 -999 ? O3 SO4 A 401 >LEU~A 108 -1.61 27.92 -7.55 -2.92 28.31 -5.88 -2.26 28.12 -6.72 3 0 25.08 -999 ? O3 SO4 A 401 >GLU~A 109 2.52 27.24 -12.97 4.56 27.71 -13.22 3.54 27.48 -13.09 2 0 25.27 -999 ? O3 SO4 A 401 >GLU~A 110 1.79 20.91 -11.32 3.37 19.78 -10.51 2.58 20.34 -10.92 2 0 25.85 -999 ? O3 SO4 A 401 >ARG~A 111 -5.42 22.18 -8.71 -5.16 23.33 -5.88 -5.29 22.76 -7.30 2 0 -27.82 -999 ? O3 SO4 A 401s >TYR~A 112 -5.22 27.05 -11.81 -7.20 27.31 -9.86 -6.21 27.18 -10.83 3 0 30.78 -999 ? O3 SO4 A 401 >VAL~A 113 -1.91 24.58 -16.18 0.15 24.82 -16.91 -0.88 24.70 -16.54 3 0 31.48 -999 ? O3 SO4 A 401 >GLU~A 114 -3.30 18.51 -15.18 -5.18 17.92 -14.35 -4.24 18.22 -14.76 2 0 34.49 -999 ? O3 SO4 A 401 >ARG~A 115 -7.38 21.23 -12.68 -7.15 19.47 -10.23 -7.26 20.35 -11.45 2 0 -32.85 -999 ? O3 SO4 A 401s >ILE~A 116 -5.76 25.61 -18.62 -5.67 27.00 -18.60 -5.72 26.31 -18.61 3 0 35.86 -999 ? O3 SO4 A 401 >ARG~A 117 -1.42 19.49 -20.61 0.15 16.87 -20.95 -0.64 18.18 -20.78 2 0 36.61 -999 ? O3 SO4 A 401 >TYR~A 118 -7.15 17.03 -19.17 -8.14 14.45 -19.62 -7.65 15.74 -19.39 3 0 40.25 -999 ? O3 SO4 A 401 >SER.A 119 -10.00 21.32 -21.01 -11.67 22.95 -20.35 -10.83 22.13 -20.68 2 0 41.66 -999 ? O3 SO4 A 401 >ASN.A 120 -12.46 20.64 -24.91 -10.86 19.29 -25.26 -11.66 19.97 -25.08 2 0 45.39 -999 ? O3 SO4 A 401 >ASP~A 121 -15.53 23.90 -21.61 -17.27 25.08 -21.37 -16.40 24.49 -21.49 2 0 46.15 -999 ? O3 SO4 A 401 >PRO~A 122 -14.21 27.34 -25.94 -13.90 27.19 -23.75 -14.05 27.26 -24.85 3 0 45.68 -999 ? O3 SO4 A 402 >ASN~A 123 -17.27 28.56 -20.59 -18.80 29.70 -21.51 -18.04 29.13 -21.05 2 0 46.43 -999 ? O3 SO4 A 402 >GLU~A 124 -13.35 24.73 -17.26 -13.44 22.65 -17.37 -13.39 23.69 -17.32 2 0 41.08 -999 ? O3 SO4 A 401 >ILE~A 125 -10.18 27.57 -21.45 -9.41 27.17 -22.54 -9.79 27.37 -22.00 3 0 40.98 -999 ? O3 SO4 A 401 >ALA~A 126 -11.17 31.29 -19.35 -12.25 32.11 -20.03 -11.71 31.70 -19.69 2 0 39.63 -999 ? O3 SO4 A 402 >GLU~A 127 -15.22 30.68 -16.04 -16.93 29.41 -16.00 -16.08 30.05 -16.02 2 0 42.32 -999 ? O4 SO4 A 404 >LEU~A 128 -9.18 27.47 -15.49 -9.91 25.45 -15.06 -9.54 26.46 -15.28 3 0 36.23 -999 ? O3 SO4 A 401 >ARG~A 129 -6.33 34.60 -18.05 -9.30 35.39 -18.35 -7.81 35.00 -18.20 2 0 35.10 -999 ? O3 SO4 A 402 >ARG~A 130 -12.77 35.79 -14.30 -14.32 34.63 -16.69 -13.55 35.21 -15.50 2 0 38.71 -999 ? O3 SO4 A 402 >GLN~A 131 -11.37 30.17 -10.90 -11.98 28.17 -10.49 -11.67 29.17 -10.70 2 0 35.21 -999 ? O3 SO4 A 401 >PHE~A 132 -3.29 30.91 -11.75 -0.53 31.03 -11.23 -1.91 30.97 -11.49 3 0 27.84 -999 ? O3 SO4 A 401 >TYR~A 133 -4.89 36.35 -13.37 -3.32 36.81 -15.65 -4.10 36.58 -14.51 3 0 28.87 -999 ? O3 SO4 A 402 >GLY~A 134 -7.63 35.54 -8.25 -6.92 35.11 -8.29 -7.27 35.33 -8.27 1 0 28.91 -999 ? O4 SO4 A 404 >ARG~A 135 -6.84 29.38 -6.07 -9.74 28.84 -5.22 -8.29 29.11 -5.65 2 0 30.67 -999 ? O3 SO4 A 401 >VAL~A 136 -2.28 34.53 -6.84 -0.81 34.41 -8.46 -1.55 34.47 -7.65 3 0 25.32 -999 ? O3 SO4 A 401 >ALA~A 137 -3.44 38.01 -5.90 -4.57 38.77 -6.57 -4.01 38.39 -6.23 2 0 24.76 -999 ? O3 SO4 A 404 >SER~A 138 -4.91 36.56 -2.70 -6.31 35.10 -1.36 -5.61 35.83 -2.03 2 0 23.78 -999 ? O4 SO4 A 404 >VAL~A 139 -1.77 34.62 -1.70 -0.79 32.73 -2.26 -1.28 33.68 -1.98 3 0 21.87 -999 ? O3 SO4 A 401 >LEU~A 140 0.54 38.55 -3.47 2.10 37.94 -4.83 1.32 38.25 -4.15 3 0 19.94 -999 ? O3 SO4 A 404 >ARG~A 141 -5.05 41.65 -2.07 -5.94 41.85 -5.00 -5.49 41.75 -3.54 2 0 23.56 -999 ? O2 SO4 A 404 >ASP~A 142 -1.95 35.73 2.48 -3.84 34.93 1.97 -2.89 35.33 2.23 2 0 20.44 -999 ? O4 SO4 A 404 >ILE~A 143 2.90 37.40 2.36 3.49 36.52 1.44 3.20 36.96 1.90 3 0 15.53 -999 ? O4 SO4 A 404 >ASP~A 144 0.24 42.74 1.60 0.67 44.65 0.75 0.45 43.70 1.17 2 0 14.46 -999 ? O2 SO4 A 404 >ASP~A 145 1.13 42.74 6.92 -0.64 43.90 7.08 0.25 43.32 7.00 2 0 11.58 -999 ? O4 SO4 A 404 >ARG~A 146 4.77 37.01 6.50 2.08 35.86 7.40 3.43 36.44 6.95 2 0 13.89 -999 ? O4 SO4 A 404 >LEU~A 147 5.80 42.31 1.29 5.84 40.73 -0.16 5.82 41.52 0.57 3 0 12.81 -999 ? O3 SO4 A 404 >ARG~A 148 2.19 46.95 3.18 1.82 49.07 1.03 2.00 48.01 2.11 2 0 12.89 -999 ? O2 SO4 A 404 >TYR~A 149 8.24 43.43 9.09 10.39 42.53 10.68 9.31 42.98 9.88 3 0 -4.45 -999 ? O4 SO4 A 404s >LEU~A 150 10.53 42.30 4.40 10.85 40.26 4.97 10.69 41.28 4.69 3 0 8.66 -999 ? O3 SO4 A 404 >ASN~A 151 9.94 47.27 2.48 10.83 48.10 0.76 10.39 47.69 1.62 2 0 7.54 -999 ? O4 SO4 A 402 >LYS~A 152 10.99 48.75 6.68 4.86 49.51 7.93 7.93 49.13 7.31 2 0 -5.67 -999 ? O2 SO4 A 404s >ALA~A 153 13.31 46.32 8.47 13.08 44.84 8.68 13.19 45.58 8.58 2 0 -4.01 -999 ? O3 SO4 A 404s >ARG~A 154 15.46 46.98 1.55 17.29 49.16 0.43 16.37 48.07 0.99 2 0 -3.04 -999 ? O3 SO4 A 402s >GLU~A 155 15.05 52.86 5.24 16.06 52.83 3.37 15.55 52.85 4.31 2 0 -3.36 -999 ? O4 SO4 A 402s >VAL~A 156 16.38 50.20 9.64 15.14 49.94 11.44 15.76 50.07 10.54 3 0 5.51 -999 ? O3 SO4 A 404 >LEU~A 157 18.94 46.24 8.63 18.19 44.56 9.75 18.57 45.40 9.19 3 0 8.12 -999 ? O3 SO4 A 404 >LYS~A 158 21.24 50.12 7.34 18.77 52.30 1.95 20.01 51.21 4.65 2 0 -2.72 -999 ? O1 SO4 A 402s >ASP~A 159 21.13 52.27 11.68 20.10 53.82 10.70 20.62 53.05 11.19 2 0 10.83 -999 ? O1 SO4 A 404 >LEU~A 160 24.09 47.08 11.26 22.89 45.36 11.69 23.49 46.22 11.47 3 0 12.63 -999 ? O1 SO4 A 404 >PRO.A 161 26.29 48.56 15.53 26.61 49.11 13.42 26.45 48.84 14.48 3 0 14.03 -999 ? O1 SO4 A 403 >VAL.A 162 29.94 49.28 10.80 30.14 50.25 8.84 30.04 49.77 9.82 3 0 15.14 -999 ? O1 SO4 A 403 >VAL.A 163 32.83 47.53 12.61 31.92 47.72 14.56 32.37 47.62 13.59 3 0 11.89 -999 ? O1 SO4 A 403 >ASP.A 164 36.89 44.93 12.13 37.91 43.39 11.09 37.40 44.16 11.61 2 0 10.67 -999 ? O1 SO4 A 403 >LEU.A 165 32.69 40.98 13.00 30.98 42.15 13.55 31.84 41.57 13.27 3 0 6.13 -999 ? O1 SO4 A 403 >GLU.A 166 36.80 38.23 10.65 37.88 37.28 9.09 37.34 37.75 9.87 2 0 9.06 -999 ? O1 SO4 A 403 >ILE.A 167 40.83 42.22 13.91 40.94 43.33 13.08 40.88 42.78 13.49 3 0 11.56 -999 ? O1 SO4 A 403 >PRO.A 168 42.68 40.21 17.86 40.68 41.21 17.60 41.68 40.71 17.73 3 0 11.13 -999 ? O1 SO4 A 403 >THR^A 169 38.63 44.27 19.72 36.81 45.10 18.80 37.72 44.69 19.26 2 0 10.88 -999 ? O1 SO4 A 403 >VAL^A 170 39.25 46.36 22.81 41.14 47.02 23.67 40.19 46.69 23.24 3 0 14.40 -999 ? O3B GDP A 400 >VAL^A 171 36.16 47.92 24.43 34.17 46.98 24.33 35.16 47.45 24.38 3 0 12.50 -999 ? O2B GDP A 400 >ILE^A 172 37.53 52.28 25.96 38.70 53.09 25.77 38.12 52.68 25.86 3 0 7.70 -999 ? O2B GDP A 400 >ALA^A 173 34.29 51.64 29.41 33.71 50.38 30.05 34.00 51.01 29.73 2 0 8.98 -999 ? O2B GDP A 400 >GLY.A 174 33.77 54.13 32.24 33.17 54.21 31.64 33.47 54.17 31.94 1 0 6.26 -999 ? O2B GDP A 400 >HIS.A 175 30.74 57.21 35.58 29.61 56.24 37.07 30.17 56.73 36.33 3 0 -9.36 -999 ? O2B GDP A 400s >PRO.A 176 28.93 59.83 31.36 31.15 59.63 31.45 30.04 59.73 31.41 3 0 5.30 -999 ? O1B GDP A 400 >ASN.A 177 33.83 63.65 31.56 32.03 64.52 30.85 32.93 64.09 31.21 2 0 -4.92 -999 ? O1B GDP A 400s >VAL.A 178 36.75 59.94 32.25 35.73 58.11 32.85 36.24 59.03 32.55 3 0 -3.96 -999 ? O2B GDP A 400s >GLY~A 179 38.88 59.94 29.10 38.31 59.41 29.07 38.60 59.68 29.09 1 0 -3.18 -999 ? O1A GDP A 400s >LYS~A 180 37.53 57.06 27.03 32.85 57.15 28.84 35.19 57.10 27.94 2 0 -3.02 -999 ? O2B GDP A 400s >SER~A 181 37.80 58.78 23.63 36.83 60.98 23.82 37.32 59.88 23.72 2 0 -2.89 -999 ? O1A GDP A 400s >THR~A 182 41.01 60.56 24.60 41.60 62.19 25.94 41.30 61.38 25.27 2 0 -3.43 -999 ? C8 GDP A 400s >LEU~A 183 42.08 56.18 26.39 43.29 54.49 26.95 42.68 55.34 26.67 3 0 7.69 -999 ? O1A GDP A 400 >LEU~A 184 39.60 55.56 21.67 38.61 55.22 19.76 39.11 55.39 20.72 3 0 8.03 -999 ? O3B GDP A 400 >LYS~A 185 42.64 58.42 20.01 38.23 62.85 19.36 40.44 60.63 19.69 2 0 7.16 -999 ? O2A GDP A 400 >ALA~A 186 46.00 58.10 21.77 46.22 58.35 23.27 46.11 58.23 22.52 2 0 8.59 -999 ? N7 GDP A 400 >LEU~A 187 44.79 53.52 21.90 45.24 52.52 23.77 45.01 53.02 22.83 3 0 11.53 -999 ? O1A GDP A 400 >THR~A 188 44.88 54.39 17.49 42.77 54.82 17.37 43.82 54.60 17.43 2 0 12.19 -999 ? O1A GDP A 400 >THR.A 189 46.94 55.17 14.42 48.33 53.93 13.38 47.63 54.55 13.90 2 0 18.26 -999 ? O1A GDP A 400 >ALA.A 190 44.55 56.51 11.79 43.84 55.69 10.73 44.19 56.10 11.26 2 0 17.72 -999 ? O1A GDP A 400 >LYS.A 191 41.89 58.97 12.88 43.76 64.00 12.64 42.83 61.49 12.76 2 0 15.18 -999 ? O1A GDP A 400 >PRO.A 192 39.88 58.25 16.56 39.48 57.78 14.42 39.68 58.01 15.49 3 0 11.58 -999 ? O1A GDP A 400 >GLU^A 193 36.57 55.92 10.46 36.50 54.40 9.01 36.53 55.16 9.74 2 0 18.09 -999 ? O3B GDP A 400 >ILE^A 194 31.44 58.20 14.09 31.02 59.35 14.81 31.23 58.78 14.45 3 0 12.53 -999 ? O3B GDP A 400 >ALA^A 195 29.97 53.73 14.05 30.47 52.40 14.57 30.22 53.06 14.31 2 0 14.72 -999 ? O3B GDP A 400 >SER.A 196 26.23 53.96 14.48 25.29 54.97 12.50 25.76 54.46 13.49 2 0 14.83 -999 ? O1 SO4 A 402 >TYR.A 197 26.13 50.75 19.26 26.25 48.23 20.48 26.19 49.49 19.87 3 0 15.00 -999 ? O2 SO4 A 403 >PRO.A 198 21.62 49.42 17.48 22.10 51.34 18.47 21.86 50.38 17.97 3 0 12.00 -999 ? O1 SO4 A 404 >PHE.A 199 19.00 51.68 22.64 16.71 50.16 22.14 17.85 50.92 22.39 3 0 11.81 -999 ? O1 SO4 A 404 >THR.A 200 23.27 56.03 21.43 24.91 54.89 20.56 24.09 55.46 20.99 2 0 12.89 -999 ? O1B GDP A 400 >THR.A 201 23.06 59.72 20.71 23.62 60.70 22.57 23.34 60.21 21.64 2 0 11.30 -999 ? O1B GDP A 400 >ARG.A 202 27.01 63.42 20.18 24.76 65.43 20.78 25.89 64.43 20.48 2 0 12.12 -999 ? O1B GDP A 400 >GLY.A 203 27.35 56.66 17.98 27.59 57.14 18.57 27.47 56.90 18.28 1 0 11.98 -999 ? O3B GDP A 400 >ILE^A 204 30.71 53.91 19.65 30.15 52.62 19.83 30.43 53.27 19.74 3 0 10.56 -999 ? O3B GDP A 400 >ASN^A 205 35.34 56.75 18.90 34.61 58.68 19.31 34.97 57.72 19.11 2 0 7.05 -999 ? O3B GDP A 400 >VAL^A 206 36.10 53.10 16.27 34.98 51.61 15.23 35.54 52.36 15.75 3 0 12.92 -999 ? O3B GDP A 400 >GLY^A 207 39.82 52.97 15.79 39.51 52.21 15.95 39.67 52.59 15.87 1 0 13.28 -999 ? O3B GDP A 400 >GLN^A 208 41.54 48.95 13.31 41.62 48.14 11.32 41.58 48.55 12.31 2 0 16.25 -999 ? O1 SO4 A 403 >PHE^A 209 46.83 49.72 18.16 47.14 47.85 20.19 46.99 48.78 19.17 3 0 17.13 -999 ? O1A GDP A 400 >GLU^A 210 49.53 46.96 11.80 49.55 47.25 9.68 49.54 47.10 10.74 2 0 21.87 -999 ? O1 SO4 A 403 >ASP^A 211 51.26 45.49 17.11 53.09 44.97 18.01 52.17 45.23 17.56 2 0 23.21 -999 ? O1 SO4 A 403 >GLY.A 212 53.63 43.94 13.33 52.90 44.49 13.17 53.26 44.22 13.25 1 0 23.34 -999 ? O1 SO4 A 403 >TYR.A 213 51.69 40.52 9.93 51.93 37.81 10.61 51.81 39.16 10.27 3 0 20.95 -999 ? O1 SO4 A 403 >PHE^A 214 49.25 40.29 14.30 50.61 37.88 13.91 49.93 39.09 14.11 3 0 18.44 -999 ? O1 SO4 A 403 >ARG^A 215 44.63 45.12 9.87 45.42 47.57 8.21 45.02 46.35 9.04 2 0 19.40 -999 ? O1 SO4 A 403 >TYR^A 216 45.53 44.77 18.31 47.39 42.72 18.59 46.46 43.75 18.45 3 0 16.81 -999 ? O1 SO4 A 403 >GLN^A 217 37.92 47.60 16.02 36.24 46.70 15.10 37.08 47.15 15.56 2 0 11.64 -999 ? O1 SO4 A 403 >ILE^A 218 40.60 50.95 19.97 41.44 50.27 20.99 41.02 50.61 20.48 3 0 12.30 -999 ? O3B GDP A 400 >ILE^A 219 34.80 50.37 20.03 34.14 49.12 19.76 34.47 49.75 19.89 3 0 12.04 -999 ? O3B GDP A 400 >ASP^A 220 35.03 54.85 23.47 34.26 56.17 22.03 34.64 55.51 22.75 2 0 5.75 -999 ? O3B GDP A 400 >THR.A 221 31.18 53.05 24.75 31.71 51.35 25.92 31.44 52.20 25.33 2 0 8.97 -999 ? O2B GDP A 400 >PRO.A 222 30.26 57.06 23.17 30.01 55.91 25.08 30.14 56.49 24.12 3 0 6.66 -999 ? O3B GDP A 400 >GLY.A 223 25.89 55.94 26.10 26.44 55.37 26.23 26.17 55.66 26.17 1 0 9.43 -999 ? O1B GDP A 400 >LEU.A 224 27.07 51.49 25.37 26.23 51.36 23.34 26.65 51.43 24.35 3 0 12.27 -999 ? O2B GDP A 400 >LEU.A 225 30.08 50.44 28.99 29.80 48.32 28.67 29.94 49.38 28.83 3 0 11.06 -999 ? O2B GDP A 400 >ASP.A 226 29.24 55.98 30.07 27.54 56.49 28.95 28.39 56.24 29.51 2 0 7.71 -999 ? O1B GDP A 400 >ARG.A 227 23.59 55.66 30.47 24.41 58.02 28.70 24.00 56.84 29.58 2 0 9.76 -999 ? O1B GDP A 400 >PRO.A 228 23.89 53.43 36.91 24.34 52.37 35.02 24.12 52.90 35.96 3 0 14.56 -999 ? O2B GDP A 400 >ILE.A 229 23.68 47.63 32.70 24.54 46.81 31.86 24.11 47.22 32.28 3 0 16.61 -999 ? O2B GDP A 400 >SER.A 230 20.18 48.00 35.50 21.36 46.88 37.28 20.77 47.44 36.39 2 0 20.31 -999 ? O2B GDP A 400 >GLU.A 231 19.10 52.89 36.99 17.55 54.14 37.73 18.32 53.52 37.36 2 0 20.16 -999 ? O1B GDP A 400 >ARG.A 232 20.20 51.84 29.80 22.08 53.17 27.79 21.14 52.51 28.79 2 0 14.00 -999 ? O1B GDP A 400 >ASN~A 233 14.44 49.35 27.97 13.68 51.32 28.17 14.06 50.33 28.07 2 0 15.63 -999 ? O1 SO4 A 404 >GLU~A 234 14.13 43.52 30.14 15.82 42.57 31.00 14.98 43.04 30.57 2 0 19.40 -999 ? O1 SO4 A 404 >ILE~A 235 14.90 46.69 23.99 14.58 47.81 23.03 14.74 47.25 23.51 3 0 11.10 -999 ? O1 SO4 A 404 >GLU~A 236 17.68 50.20 27.03 17.14 52.19 27.47 17.41 51.19 27.25 2 0 16.11 -999 ? O1 SO4 A 404 >LYS~A 237 20.09 46.29 27.75 18.45 44.83 33.64 19.27 45.56 30.69 2 0 22.11 -999 ? O1 SO4 A 404 >GLN~A 238 19.34 41.76 23.47 17.87 41.32 21.96 18.60 41.54 22.72 2 0 13.14 -999 ? O1 SO4 A 404 >ALA~A 239 21.92 46.18 22.72 21.30 47.51 22.32 21.61 46.85 22.52 2 0 13.78 -999 ? O1 SO4 A 404 >ILE~A 240 24.23 47.60 26.74 24.22 48.56 27.73 24.22 48.08 27.24 3 0 15.60 -999 ? O2B GDP A 400 >LEU~A 241 24.25 42.50 27.09 24.06 42.62 29.24 24.16 42.56 28.17 3 0 14.74 -999 ? O2 SO4 A 403 >ALA~A 242 25.70 42.58 22.63 25.02 43.28 21.45 25.36 42.93 22.04 2 0 10.44 -999 ? O2 SO4 A 403 >LEU~A 243 29.61 45.17 24.04 29.39 47.26 23.40 29.50 46.22 23.72 3 0 13.11 -999 ? O2 SO4 A 403 >ARG~A 244 27.43 39.15 27.37 25.39 38.63 29.61 26.41 38.89 28.49 2 0 14.11 -999 ? O2 SO4 A 403 >TYR~A 245 27.89 38.04 21.28 26.10 36.57 22.83 26.99 37.30 22.06 3 0 6.41 -999 ? O2 SO4 A 403 >LEU~A 246 31.79 43.30 19.57 32.42 44.73 18.10 32.11 44.01 18.83 3 0 8.67 -999 ? O1 SO4 A 403 >GLY.A 247 34.84 42.72 22.60 34.62 42.00 22.42 34.73 42.36 22.51 1 0 10.13 -999 ? O1 SO4 A 403 >ASN.A 248 38.74 40.12 22.29 37.71 39.72 20.47 38.23 39.92 21.38 2 0 8.47 -999 ? O1 SO4 A 403 >LEU^A 249 40.61 43.08 25.83 42.02 43.70 27.35 41.32 43.39 26.59 3 0 16.25 -999 ? O1 SO4 A 403 >ILE^A 250 36.35 45.13 29.10 34.94 45.33 29.41 35.64 45.23 29.25 3 0 13.94 -999 ? O2B GDP A 400 >ILE^A 251 40.39 49.42 28.51 41.65 50.03 28.10 41.02 49.72 28.30 3 0 11.14 -999 ? O2B GDP A 400 >TYR^A 252 36.10 50.07 34.10 33.90 51.51 35.04 35.00 50.79 34.57 3 0 10.18 -999 ? O2B GDP A 400 >ILE^A 253 39.06 54.83 31.99 39.83 55.64 31.06 39.44 55.24 31.52 3 0 6.46 -999 ? O2B GDP A 400 >PHE^A 254 38.42 53.42 38.24 37.12 51.12 39.11 37.77 52.27 38.68 3 0 12.36 -999 ? O2B GDP A 400 >ASP.A 255 38.21 60.07 36.37 38.78 62.10 36.69 38.49 61.08 36.53 2 0 7.03 -999 ? O4' GDP A 400 >PRO.A 256 42.08 57.89 39.97 40.37 59.32 39.98 41.22 58.61 39.97 3 0 10.03 -999 ? O6 GDP A 400 >SER.A 257 40.32 63.27 40.37 39.91 64.21 38.18 40.12 63.74 39.27 2 0 6.76 -999 ? N2 GDP A 400 >GLU.A 258 36.24 61.97 42.29 35.61 62.10 44.32 35.93 62.03 43.30 2 0 14.54 -999 ? N2 GDP A 400 >HIS.A 259 39.06 67.08 37.85 40.58 67.83 39.08 39.82 67.45 38.47 3 0 6.73 -999 ? N2 GDP A 400 >CYH.A 260 34.66 63.81 35.27 34.65 61.41 36.69 34.66 62.61 35.98 2 0 8.26 -999 ? O2B GDP A 400 >GLY.A 261 31.86 64.75 37.67 32.15 63.98 37.70 32.00 64.37 37.69 1 0 10.11 -999 ? C4' GDP A 400 >PHE.A 262 30.26 60.52 37.31 28.41 61.19 35.33 29.33 60.86 36.32 3 0 9.59 -999 ? O1B GDP A 400 >PRO~A 263 30.50 61.42 43.61 32.20 60.72 42.33 31.35 61.07 42.97 3 0 14.83 -999 ? O2B GDP A 400 >LEU~A 264 36.28 57.62 44.06 37.91 56.22 43.94 37.10 56.92 44.00 3 0 15.54 -999 ? O2B GDP A 400 >GLU~A 265 32.42 56.43 47.35 32.66 58.55 47.20 32.54 57.49 47.27 2 0 18.61 -999 ? O2B GDP A 400 >GLU~A 266 28.34 57.81 42.56 27.36 59.52 41.77 27.85 58.66 42.17 2 0 15.16 -999 ? O2B GDP A 400 >GLN~A 267 33.95 57.03 38.74 35.85 58.02 38.66 34.90 57.53 38.70 2 0 10.00 -999 ? O2B GDP A 400 >ILE~A 268 33.85 51.72 43.05 34.73 51.25 44.08 34.29 51.48 43.56 3 0 16.70 -999 ? O2B GDP A 400 >HIS~A 269 28.43 51.85 43.52 28.20 52.23 45.57 28.31 52.04 44.54 3 0 18.60 -999 ? O2B GDP A 400 >LEU~A 270 29.86 52.41 36.97 28.93 52.71 35.05 29.40 52.56 36.01 3 0 11.35 -999 ? O2B GDP A 400 >PHE~A 271 35.06 48.24 38.16 36.61 45.91 38.11 35.84 47.08 38.14 3 0 15.31 -999 ? O2B GDP A 400 >GLU~A 272 32.07 46.99 41.83 31.63 47.08 43.90 31.85 47.04 42.86 2 0 19.67 -999 ? O2B GDP A 400 >GLU~A 273 25.72 47.00 36.99 24.56 48.54 36.18 25.14 47.77 36.59 2 0 16.71 -999 ? O2B GDP A 400 >VAL~A 274 30.06 46.27 34.21 30.75 47.83 32.82 30.40 47.05 33.51 3 0 13.83 -999 ? O2B GDP A 400 >HIS~A 275 34.60 42.97 36.89 36.13 41.58 37.26 35.36 42.27 37.08 3 0 18.82 -999 ? O2B GDP A 400 >GLY~A 276 29.78 41.46 36.35 29.83 41.84 35.63 29.81 41.65 35.99 1 0 19.97 -999 ? O2B GDP A 400 >GLU~A 277 26.19 43.60 33.29 24.44 42.42 33.17 25.31 43.01 33.23 2 0 18.81 -999 ? O2 SO4 A 403 >PHE~A 278 30.89 42.67 29.56 29.21 44.31 28.00 30.05 43.49 28.78 3 0 14.76 -999 ? O2 SO4 A 403 >LYS.A 279 32.40 37.78 33.26 27.74 36.45 37.39 30.07 37.12 35.33 2 0 20.67 -999 ? O4 SO4 A 403 >ASP.A 280 33.04 35.13 29.30 31.75 33.85 30.34 32.39 34.49 29.82 2 0 13.13 -999 ? O4 SO4 A 403 >LEU.A 281 35.45 39.97 28.23 34.43 40.02 26.33 34.94 40.00 27.28 3 0 12.26 -999 ? O4 SO4 A 403 >PRO.A 282 40.32 39.31 28.27 38.92 39.58 30.00 39.62 39.45 29.14 3 0 15.47 -999 ? O4 SO4 A 403 >PHE^A 283 37.31 43.72 33.01 34.55 43.93 32.57 35.93 43.82 32.79 3 0 15.87 -999 ? O2B GDP A 400 >LEU^A 284 43.11 46.15 30.77 45.15 46.89 30.62 44.13 46.52 30.70 3 0 15.65 -999 ? O2B GDP A 400 >VAL^A 285 41.88 48.63 34.68 40.98 48.47 36.63 41.43 48.55 35.66 3 0 14.14 -999 ? O2B GDP A 400 >VAL^A 286 43.42 51.99 33.91 44.05 52.75 31.96 43.73 52.37 32.94 3 0 10.12 -999 ? O6 GDP A 400 >ILE^A 287 44.36 54.66 37.78 44.24 54.48 39.27 44.30 54.57 38.53 3 0 10.54 -999 ? O6 GDP A 400 >ASN.A 288 42.49 58.19 33.22 43.09 59.44 31.60 42.79 58.81 32.41 2 0 -3.37 -999 ? O6 GDP A 400s >LYS.A 289 44.10 61.72 35.07 38.93 63.60 33.90 41.52 62.66 34.48 2 0 -3.88 -999 ? O4' GDP A 400s >ILE.A 290 48.26 59.80 36.96 48.81 58.68 36.22 48.54 59.24 36.59 3 0 7.07 -999 ? O6 GDP A 400 >ASP.A 291 48.70 64.78 34.61 46.80 65.04 33.70 47.75 64.91 34.15 2 0 -2.86 -999 ? N1 GDP A 400s >VAL.A 292 45.90 66.16 38.04 44.83 67.70 36.89 45.36 66.93 37.46 3 0 -4.53 -999 ? N2 GDP A 400s >ALA.A 293 44.72 63.48 40.47 44.63 61.99 40.12 44.67 62.74 40.29 2 0 8.17 -999 ? N1 GDP A 400 >ASP~A 294 44.19 64.26 45.20 43.97 66.36 44.94 44.08 65.31 45.07 2 0 11.73 -999 ? N2 GDP A 400 >GLU~A 295 49.81 61.27 45.60 50.08 59.63 44.30 49.95 60.45 44.95 2 0 14.09 -999 ? N1 GDP A 400 >GLU~A 296 42.66 60.97 49.93 43.38 59.38 51.13 43.02 60.17 50.53 2 0 19.29 -999 ? N2 GDP A 400 >ASN~A 297 41.06 59.52 45.06 39.60 60.80 45.95 40.33 60.16 45.50 2 0 14.60 -999 ? N2 GDP A 400 >ILE~A 298 45.80 57.55 43.32 46.61 57.88 42.10 46.21 57.72 42.71 3 0 12.29 -999 ? O6 GDP A 400 >LYS~A 299 45.44 54.96 47.03 49.62 57.27 51.23 47.53 56.11 49.13 2 0 20.88 -999 ? N1 GDP A 400 >ARG~A 300 39.24 53.02 48.89 36.29 52.42 48.28 37.77 52.72 48.59 2 0 20.69 -999 ? O2B GDP A 400 >LEU~A 301 41.68 53.93 42.73 40.22 53.92 41.15 40.95 53.92 41.94 3 0 14.03 -999 ? O6 GDP A 400 >GLU~A 302 46.58 52.26 42.76 48.63 51.99 42.32 47.61 52.12 42.54 2 0 15.50 -999 ? O6 GDP A 400 >LYS~A 303 43.67 49.21 46.90 43.91 50.29 53.14 43.79 49.75 50.02 2 0 24.86 -999 ? O6 GDP A 400 >PHE~A 304 37.99 48.98 44.49 35.88 47.96 42.97 36.93 48.47 43.73 3 0 18.48 -999 ? O2B GDP A 400 >VAL~A 305 41.40 47.30 42.31 41.99 48.29 40.47 41.69 47.79 41.39 3 0 17.91 -999 ? O6 GDP A 400 >LYS~A 306 44.11 44.96 43.52 49.58 48.18 43.56 46.84 46.57 43.54 2 0 19.23 -999 ? O6 GDP A 400 >GLU~A 307 41.50 44.95 47.98 40.29 45.88 49.44 40.90 45.41 48.71 2 0 24.84 -999 ? O6 GDP A 400 >LYS~A 308 39.51 42.38 42.84 34.28 43.74 44.13 36.90 43.06 43.49 2 0 21.79 -999 ? O2B GDP A 400 >GLY.A 309 42.59 40.59 41.53 42.39 41.33 41.26 42.49 40.96 41.39 1 0 23.74 -999 ? O2B GDP A 400 >LEU.A 310 42.33 44.01 38.34 40.71 43.25 37.15 41.52 43.63 37.74 3 0 19.05 -999 ? O2B GDP A 400 >ASN.A 311 48.04 44.20 38.09 49.82 45.18 38.76 48.93 44.69 38.43 2 0 19.29 -999 ? O6 GDP A 400 >PRO.A 312 45.83 49.10 39.49 46.03 47.92 37.62 45.93 48.51 38.55 3 0 15.58 -999 ? O6 GDP A 400 >ILE^A 313 48.06 50.47 33.50 48.75 49.97 32.33 48.41 50.22 32.92 3 0 12.69 -999 ? O6 GDP A 400 >LYS^A 314 48.40 54.42 36.02 51.83 53.51 40.83 50.11 53.96 38.42 2 0 14.67 -999 ? O6 GDP A 400 >ILE.A 315 47.55 56.09 31.81 46.58 55.25 31.16 47.07 55.67 31.48 3 0 6.99 -999 ? O6 GDP A 400 >SER.A 316 47.37 60.26 31.61 47.97 62.60 31.42 47.67 61.43 31.52 2 0 -3.13 -999 ? O6 GDP A 400s >ALA.A 317 45.53 59.89 28.31 44.03 59.57 28.18 44.78 59.73 28.25 2 0 -3.76 -999 ? N7 GDP A 400s >LEU.A 318 45.44 64.74 28.60 44.94 66.71 27.86 45.19 65.73 28.23 3 0 -4.00 -999 ? C5 GDP A 400s >LYS.A 319 49.72 63.76 28.13 50.72 68.14 32.51 50.22 65.95 30.32 2 0 7.06 -999 ? N2 GDP A 400 >GLY.A 320 50.67 60.31 26.87 50.67 60.48 27.64 50.67 60.40 27.25 1 0 7.63 -999 ? O6 GDP A 400 >THR.A 321 52.01 59.27 30.27 52.50 60.43 32.08 52.25 59.85 31.17 2 0 7.90 -999 ? O6 GDP A 400 >GLY~A 322 51.56 55.48 30.32 51.46 55.82 29.65 51.51 55.65 29.99 1 0 9.63 -999 ? O6 GDP A 400 >ILE~A 323 49.62 56.13 25.87 48.24 56.19 25.86 48.93 56.16 25.86 3 0 9.22 -999 ? O6 GDP A 400 >ASP~A 324 54.04 53.24 25.63 54.22 54.83 24.23 54.13 54.03 24.93 2 0 13.96 -999 ? O6 GDP A 400 >LEU~A 325 52.09 51.11 30.36 53.85 51.42 31.61 52.97 51.26 30.98 3 0 13.71 -999 ? O6 GDP A 400 >VAL~A 326 48.46 50.20 27.83 46.63 51.36 28.13 47.55 50.78 27.98 3 0 12.31 -999 ? O6 GDP A 400 >LYS~A 327 49.29 49.42 24.19 49.16 52.34 19.61 49.22 50.88 21.90 2 0 15.89 -999 ? N7 GDP A 400 >GLU~A 328 54.28 47.94 25.92 55.61 48.48 27.51 54.94 48.21 26.71 2 0 17.94 -999 ? O6 GDP A 400 >GLU~A 329 47.99 44.99 29.84 49.06 43.25 30.41 48.52 44.12 30.12 2 0 19.53 -999 ? O6 GDP A 400 >ILE~A 330 46.35 46.34 24.01 45.36 47.20 23.41 45.85 46.77 23.71 3 0 16.85 -999 ? O1A GDP A 400 >ILE~A 331 50.52 44.02 22.16 51.32 44.61 21.33 50.92 44.31 21.74 3 0 21.30 -999 ? O6 GDP A 400 >LYS~A 332 50.24 40.92 25.30 52.39 39.52 31.09 51.32 40.22 28.20 2 0 24.00 -999 ? O6 GDP A 400 >THR~A 333 46.60 40.10 25.98 45.22 40.94 27.43 45.91 40.52 26.70 2 0 18.48 -999 ? O1 SO4 A 403 >LEU~A 334 44.52 41.10 21.93 42.63 41.67 22.84 43.58 41.38 22.39 3 0 14.57 -999 ? O1 SO4 A 403 >ARG~A 335 52.08 38.87 19.52 53.29 39.54 16.79 52.69 39.20 18.16 2 0 21.78 -999 ? O1 SO4 A 403 >PRO~A 336 47.20 35.67 23.03 47.59 35.84 20.83 47.40 35.75 21.93 3 0 16.73 -999 ? O4 SO4 A 403 >LEU~A 337 42.77 36.50 20.28 40.67 36.35 19.74 41.72 36.43 20.01 3 0 10.80 -999 ? O1 SO4 A 403 >ALA~A 338 45.13 37.71 16.67 46.05 38.93 16.79 45.59 38.32 16.73 2 0 14.57 -999 ? O1 SO4 A 403 >GLU~A 339 49.65 35.30 16.53 51.26 34.59 17.74 50.46 34.94 17.14 2 0 19.58 -999 ? O1 SO4 A 403 >LYS~A 340 44.51 32.34 15.95 41.44 28.30 19.52 42.98 30.32 17.74 2 0 11.70 -999 ? O4 SO4 A 403 >VAL~A 341 42.16 34.57 13.95 41.00 36.40 14.26 41.58 35.49 14.10 3 0 9.89 -999 ? O1 SO4 A 403 >ALA~A 342 44.76 34.91 11.20 46.18 35.44 11.42 45.47 35.17 11.31 2 0 14.98 -999 ? O1 SO4 A 403 >ARG~A 343 47.16 29.57 13.97 48.33 29.86 16.78 47.74 29.72 15.37 2 0 17.36 -999 ? O4 SO4 A 403 >GLU~A 344 40.96 29.99 13.36 39.50 30.14 14.87 40.23 30.06 14.11 2 0 9.20 -999 ? O4 SO4 A 403 >LYS~A 345 41.28 32.86 8.03 40.20 38.69 6.09 40.74 35.77 7.06 2 0 13.04 -999 ? O1 SO4 A 403 >ILE~A 346 45.34 30.78 6.31 45.94 31.23 5.09 45.64 31.01 5.70 3 0 17.74 -999 ? O3 SO4 A 403 >GLU~A 347 42.85 26.81 9.16 42.41 26.35 11.17 42.63 26.58 10.17 2 0 14.41 -999 ? O3 SO4 A 403 >ARG~A 348 37.30 29.81 8.90 37.21 32.91 8.84 37.25 31.36 8.87 2 0 8.89 -999 ? O3 SO4 A 403 >GLU~A 349 39.98 32.35 2.78 41.23 34.03 2.72 40.60 33.19 2.75 2 0 16.03 -999 ? O3 SO4 A 403 >LEU~A 350 43.07 26.24 2.76 45.21 26.39 2.52 44.14 26.32 2.64 3 0 19.66 -999 ? O3 SO4 A 403 >ARG~A 351 37.98 24.06 5.98 38.11 22.48 8.60 38.05 23.27 7.29 2 0 14.98 -999 ? O3 SO4 A 403 >ARG.A 352 35.81 30.15 0.44 35.32 32.63 2.16 35.57 31.39 1.30 2 0 13.52 -999 ? O3 SO4 A 403 >TYR.A 353 41.77 28.91 -1.80 42.11 31.51 -0.80 41.94 30.21 -1.30 3 0 19.99 -999 ? O3 SO4 A 403 >ARG.A 354 42.68 22.39 -1.08 45.31 22.56 0.50 44.00 22.47 -0.29 2 0 23.40 -999 ? O3 SO4 A 403 >SER.A 355 36.03 23.82 -4.12 35.99 24.84 -6.34 36.01 24.33 -5.23 2 0 22.47 -999 ? O1 SO4 A 401 >TYR.A 356 36.30 18.87 -6.00 38.36 17.02 -6.80 37.33 17.94 -6.40 3 0 -26.26 -999 ? O1 SO4 A 401s