REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-FEB-07 2OY9 COMPND UPF0223 PROTEIN BH2638; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; SOURCE 3 ORGANISM_TAXID: 272558; SOURCE 4 STRAIN: C-125, DSM 18197, FERM 7344, JCM 9153; SOURCE 5 ATCC: BAA-125; SOURCE 6 GENE: BH2638; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PSGX3 AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 84 8 HET MSE A 90 8 HET MSE B 84 8 HET MSE B 90 8 HET MG B 400 1 SITE 1 AC1 6 HOH B 428 HOH B 433 HOH B 455 HOH B 459 >THR.A 6 4.80 49.07 15.60 5.31 47.12 16.36 5.05 48.09 15.98 2 0 52.30 -999 ? MG MG B 400 >LEU.A 7 8.07 52.20 17.41 10.14 51.76 17.06 9.10 51.98 17.23 3 0 49.82 -999 ? MG MG B 400 >PRO.A 8 6.27 52.44 22.03 5.29 52.82 20.07 5.78 52.63 21.05 3 0 49.31 -999 ? MG MG B 400 >ILE.A 9 3.71 57.30 17.96 3.35 57.69 16.69 3.53 57.50 17.32 3 0 42.92 -999 ? MG MG B 400 >SER.A 10 5.62 59.89 21.12 8.02 59.77 21.55 6.82 59.83 21.34 2 0 44.75 -999 ? MG MG B 400 >LEU.A 11 3.99 63.81 19.21 2.96 62.76 17.63 3.48 63.28 18.42 3 0 38.60 -999 ? MG MG B 400 >ASP.A 12 9.19 65.96 20.53 10.37 67.58 21.19 9.78 66.77 20.86 2 0 40.24 -999 ? MG MG B 400 >TRP.A 13 5.21 67.43 17.04 1.37 66.54 16.97 3.29 66.98 17.01 3 0 35.00 -999 ? MG MG B 400 >SER~A 14 6.65 73.19 19.73 6.42 74.52 17.72 6.53 73.86 18.73 2 0 31.78 -999 ? MG MG B 400 >THR~A 15 3.79 75.23 21.20 3.63 76.59 22.86 3.71 75.91 22.03 2 0 32.12 -999 ? MG MG B 400 >GLU~A 16 4.08 79.01 17.82 4.97 80.52 16.64 4.52 79.77 17.23 2 0 26.96 -999 ? MG MG B 400 >GLU~A 17 5.41 73.09 15.35 7.14 71.90 15.20 6.27 72.49 15.28 2 0 32.71 -999 ? MG MG B 400 >VAL~A 18 0.52 71.94 18.66 0.44 71.37 20.77 0.48 71.65 19.72 3 0 31.74 -999 ? MG MG B 400 >ILE~A 19 -1.68 76.26 18.04 -2.76 76.40 18.93 -2.22 76.33 18.49 3 0 26.72 -999 ? MG MG B 400 >ASP~A 20 0.12 74.04 13.25 0.98 75.94 12.85 0.55 74.99 13.05 2 0 25.34 -999 ? MG MG B 400 >VAL~A 21 -2.33 70.52 14.53 -1.31 68.65 15.05 -1.82 69.59 14.79 3 0 29.83 -999 ? MG MG B 400 >VAL~A 22 -5.36 71.68 16.52 -5.77 72.53 18.48 -5.57 72.11 17.50 3 0 28.06 -999 ? MG MG B 400 >HIS~A 23 -5.47 76.31 14.02 -5.58 77.87 15.41 -5.52 77.09 14.72 3 0 22.66 -999 ? MG MG B 400 >PHE~A 24 -5.07 68.93 10.15 -5.74 66.75 8.52 -5.40 67.84 9.33 3 0 28.18 -999 ? MG MG B 400 >PHE~A 25 -7.33 66.96 14.20 -5.53 64.83 13.91 -6.43 65.89 14.05 3 0 31.37 -999 ? MG MG B 400 >GLN~A 26 -10.33 73.02 15.63 -9.92 74.86 16.60 -10.12 73.94 16.12 2 0 24.58 -999 ? MG MG B 400 >ALA~A 27 -10.57 72.28 9.64 -9.27 72.49 8.86 -9.92 72.39 9.25 2 0 22.91 -999 ? MG MG B 400 >ILE~A 28 -10.98 67.39 9.59 -10.65 66.63 8.35 -10.81 67.01 8.97 3 0 27.97 -999 ? MG MG B 400 >GLU~A 29 -14.11 68.51 13.82 -15.50 66.91 13.99 -14.80 67.71 13.91 2 0 29.92 -999 ? MG MG B 400 >GLN~A 30 -15.29 74.82 8.61 -14.03 76.54 8.48 -14.66 75.68 8.55 2 0 18.80 -999 ? MG MG B 400 >ALA~A 31 -15.73 70.52 6.33 -14.64 69.59 5.78 -15.18 70.05 6.06 2 0 24.74 -999 ? MG MG B 400 >TYR~A 32 -17.53 66.16 8.30 -16.17 64.03 7.11 -16.85 65.10 7.71 3 0 29.74 -999 ? MG MG B 400 >ASP~A 33 -19.75 72.36 10.40 -21.23 73.16 11.68 -20.49 72.76 11.04 2 0 24.68 -999 ? MG MG B 400 >GLN.A 34 -19.33 76.64 7.84 -18.46 76.26 9.75 -18.90 76.45 8.80 2 0 20.36 -999 ? MG MG B 400 >GLY.A 35 -17.96 73.61 4.78 -17.79 74.10 5.44 -17.87 73.86 5.11 1 0 21.19 -999 ? MG MG B 400 >ILE^A 36 -13.50 74.26 5.18 -12.23 73.70 5.53 -12.87 73.98 5.35 3 0 20.27 -999 ? MG MG B 400 >ALA^A 37 -12.40 76.48 1.39 -11.82 77.89 1.37 -12.11 77.19 1.38 2 0 15.96 -999 ? MG MG B 400 >ARG~A 38 -9.64 72.51 -4.03 -6.87 71.89 -5.20 -8.26 72.20 -4.62 2 0 23.58 -999 ? MG MG B 400 >GLU~A 39 -5.77 78.17 -0.88 -5.59 79.77 -2.23 -5.68 78.97 -1.55 2 0 16.12 -999 ? MG MG B 400 >ASP~A 40 -8.68 77.41 4.28 -8.23 77.69 6.33 -8.46 77.55 5.30 2 0 17.50 -999 ? MG MG B 400 >LEU~A 41 -9.10 72.17 3.67 -9.74 70.26 4.44 -9.42 71.22 4.06 3 0 23.02 -999 ? MG MG B 400 >LEU~A 42 -4.94 72.09 0.58 -5.76 70.44 -0.57 -5.35 71.27 0.01 3 0 23.76 -999 ? MG MG B 400 >GLY~A 43 -2.89 74.85 3.61 -3.30 74.20 3.99 -3.10 74.53 3.80 1 0 21.49 -999 ? MG MG B 400 >LYS~A 44 -3.55 73.39 7.03 -8.14 77.15 9.17 -5.84 75.27 8.10 2 0 19.03 -999 ? MG MG B 400 >TYR~A 45 -3.00 67.69 4.52 -1.82 65.17 4.17 -2.41 66.43 4.35 3 0 29.43 -999 ? MG MG B 400 >ARG~A 46 1.18 71.52 0.97 1.77 71.01 -2.00 1.47 71.26 -0.52 2 0 27.21 -999 ? MG MG B 400 >ARG~A 47 2.90 74.42 9.58 2.91 77.48 9.29 2.91 75.95 9.43 2 0 23.99 -999 ? MG MG B 400 >PHE~A 48 -1.13 67.29 9.98 -1.40 64.83 11.30 -1.27 66.06 10.64 3 0 31.47 -999 ? MG MG B 400 >LYS~A 49 2.74 67.38 7.22 2.77 62.69 6.58 2.76 65.03 6.90 2 0 35.18 -999 ? MG MG B 400 >GLU~A 50 5.45 71.95 6.62 7.36 72.09 5.71 6.40 72.02 6.17 2 0 29.91 -999 ? MG MG B 400 >ILE~A 51 3.97 69.39 12.50 3.43 70.29 13.43 3.70 69.84 12.97 3 0 31.34 -999 ? MG MG B 400 >VAL~A 52 4.21 65.15 10.97 2.51 64.36 12.12 3.36 64.76 11.54 3 0 34.77 -999 ? MG MG B 400 >PRO.A 53 8.13 64.64 9.15 6.01 64.37 8.53 7.07 64.50 8.84 3 0 36.17 -999 ? MG MG B 400 >SER~A 54 6.00 60.46 8.95 7.78 60.18 10.57 6.89 60.32 9.76 2 0 40.48 -999 ? MG MG B 400 >LYS~A 55 3.16 58.60 7.25 -0.11 55.78 3.87 1.52 57.19 5.56 2 0 40.16 -999 ? MG MG B 400 >SER~A 56 2.92 56.20 10.19 5.18 56.06 11.13 4.05 56.13 10.66 2 0 42.94 -999 ? MG MG B 400 >GLU~A 57 4.79 59.56 13.64 6.16 61.07 14.17 5.47 60.31 13.90 2 0 39.95 -999 ? MG MG B 400 >GLU~A 58 -1.05 61.47 8.15 -0.63 61.91 6.12 -0.84 61.69 7.14 2 0 34.47 -999 ? MG MG B 400 >LYS~A 59 -2.00 57.46 10.11 0.27 52.35 8.97 -0.86 54.90 9.54 2 0 44.14 -999 ? MG MG B 400 >GLN~A 60 -0.36 55.18 14.33 -1.84 53.64 14.10 -1.10 54.41 14.22 2 0 43.57 -999 ? MG MG B 400 >LEU~A 61 -2.32 61.80 14.27 -0.87 62.74 15.59 -1.60 62.27 14.93 3 0 36.15 -999 ? MG MG B 400 >PHE~A 62 -5.34 61.01 9.75 -4.32 63.01 8.06 -4.83 62.01 8.90 3 0 33.66 -999 ? MG MG B 400 >ARG~A 63 -5.88 53.51 14.78 -7.00 51.05 13.37 -6.44 52.28 14.07 2 0 44.83 -999 ? MG MG B 400 >ALA~A 64 -6.85 58.51 17.23 -5.60 59.12 17.84 -6.22 58.81 17.54 2 0 39.13 -999 ? MG MG B 400 >TYR~A 65 -9.64 63.75 15.37 -11.49 65.82 15.62 -10.56 64.78 15.50 3 0 32.43 -999 ? MG MG B 400 >GLU~A 66 -11.01 59.73 11.91 -10.21 58.89 10.16 -10.61 59.31 11.03 2 0 36.15 -999 ? MG MG B 400 >GLN~A 67 -11.13 55.30 19.02 -9.30 54.45 19.73 -10.22 54.87 19.38 2 0 43.64 -999 ? MG MG B 400 >GLU.A 68 -12.38 59.37 21.05 -11.34 60.31 22.63 -11.86 59.84 21.84 2 0 39.79 -999 ? MG MG B 400 >ASN.A 69 -14.13 63.09 15.92 -13.57 64.02 17.76 -13.85 63.55 16.84 2 0 34.10 -999 ? MG MG B 400 >ASP.A 70 -18.93 61.14 13.36 -19.92 59.79 12.06 -19.42 60.47 12.71 2 0 36.44 -999 ? MG MG B 400 >VAL.A 71 -15.18 62.26 10.39 -14.35 63.98 11.47 -14.76 63.12 10.93 3 0 32.26 -999 ? MG MG B 400 >SER~A 72 -12.69 60.87 7.88 -12.19 59.44 6.00 -12.44 60.15 6.94 2 0 34.72 -999 ? MG MG B 400 >CYH~A 73 -9.44 62.78 7.49 -8.69 63.23 10.13 -9.06 63.00 8.81 2 0 32.12 -999 ? MG MG B 400 >TYR~A 74 -8.18 58.43 3.20 -7.91 57.20 0.70 -8.05 57.81 1.95 3 0 36.32 -999 ? MG MG B 400 >GLN~A 75 -13.40 59.11 2.97 -15.33 58.55 3.65 -14.36 58.83 3.31 2 0 35.45 -999 ? MG MG B 400 >THR~A 76 -11.77 64.81 3.20 -12.54 65.99 4.84 -12.15 65.40 4.02 2 0 28.07 -999 ? MG MG B 400 >ILE~A 77 -6.89 65.13 2.85 -6.37 66.43 3.17 -6.63 65.78 3.01 3 0 28.75 -999 ? MG MG B 400 >LYS~A 78 -8.55 63.06 -0.79 -9.89 57.19 -2.80 -9.22 60.13 -1.80 2 0 36.96 -999 ? MG MG B 400 >LYS~A 79 -11.67 64.85 -2.03 -17.13 64.79 -2.33 -14.40 64.82 -2.18 2 0 29.59 -999 ? MG MG B 400 >ALA~A 80 -9.98 68.23 -1.59 -9.42 68.75 -0.27 -9.70 68.49 -0.93 2 0 25.33 -999 ? MG MG B 400 >ARG~A 81 -3.88 65.38 -1.75 -1.15 64.62 -0.59 -2.51 65.00 -1.17 2 0 31.46 -999 ? MG MG B 400 >GLU~A 82 -7.98 63.00 -6.17 -8.62 61.03 -5.73 -8.30 62.01 -5.95 2 0 33.77 -999 ? MG MG B 400 >GLU~A 83 -13.46 66.01 -6.11 -15.43 65.76 -5.38 -14.44 65.89 -5.75 2 0 28.96 -999 ? MG MG B 400 >MET?A 84 -11.43 71.27 -8.14 -8.45 70.87 -9.95 -9.94 71.07 -9.04 2 0 25.88 -999 ? MG MG B 400 >GLU.A 85 -15.69 71.07 -5.10 -17.52 70.03 -4.87 -16.61 70.55 -4.98 2 0 25.03 -999 ? MG MG B 400 >GLU.A 86 -12.37 77.82 -3.26 -10.40 77.05 -3.00 -11.38 77.43 -3.13 2 0 17.45 -999 ? MG MG B 400 >HIS^A 87 -18.17 75.53 -0.14 -19.21 75.21 1.65 -18.69 75.37 0.76 3 0 19.40 -999 ? MG MG B 400 >ILE^A 88 -14.27 71.04 0.61 -13.16 70.19 0.35 -13.71 70.61 0.48 3 0 23.24 -999 ? MG MG B 400 >GLN.A 89 -20.61 70.96 3.45 -22.24 72.32 3.37 -21.43 71.64 3.41 2 0 23.63 -999 ? MG MG B 400 >MET?A 90 -18.61 66.52 3.53 -15.63 65.63 2.26 -17.12 66.08 2.89 2 0 28.36 -999 ? MG MG B 400 >ILE.B 9 -12.61 92.18 8.85 -12.76 93.62 8.75 -12.69 92.90 8.80 3 0 7.63 -999 ? MG MG B 400 >SER.B 10 -8.81 91.07 6.38 -8.70 90.27 4.09 -8.75 90.67 5.24 2 0 6.07 -999 ? MG MG B 400 >LEU.B 11 -6.51 95.14 5.70 -6.79 97.23 6.07 -6.65 96.19 5.88 3 0 7.99 -999 ? MG MG B 400 >ASP.B 12 -7.33 95.36 0.15 -9.21 94.43 -0.12 -8.27 94.89 0.01 2 0 3.78 -999 ? MG MG B 400 >TRP.B 13 -2.58 92.76 1.85 -0.51 89.78 0.31 -1.55 91.27 1.08 3 0 11.44 -999 ? MG MG B 400 >SER~B 14 -1.16 98.57 -0.75 0.66 99.07 0.78 -0.25 98.82 0.01 2 0 14.36 -999 ? MG MG B 400 >THR~B 15 1.33 98.39 -3.63 1.12 100.11 -4.91 1.23 99.25 -4.27 2 0 16.38 -999 ? MG MG B 400 >GLU~B 16 4.28 101.24 -0.57 2.37 102.15 -0.47 3.32 101.69 -0.52 2 0 17.29 -999 ? MG MG B 400 >GLU~B 17 1.44 96.68 2.69 -0.40 96.68 3.72 0.52 96.68 3.21 2 0 12.87 -999 ? MG MG B 400 >VAL~B 18 2.68 93.62 -2.33 1.48 93.52 -4.15 2.08 93.57 -3.24 3 0 15.44 -999 ? MG MG B 400 >ILE~B 19 6.98 95.72 -3.22 7.28 95.52 -4.53 7.13 95.62 -3.88 3 0 20.56 -999 ? MG MG B 400 >ASP~B 20 6.74 94.10 1.95 7.38 96.10 2.16 7.06 95.10 2.05 2 0 20.23 -999 ? MG MG B 400 >VAL~B 21 5.58 90.08 0.22 3.54 89.34 0.47 4.56 89.71 0.34 3 0 17.76 -999 ? MG MG B 400 >VAL~B 22 7.42 89.56 -3.06 7.29 90.29 -5.12 7.35 89.92 -4.09 3 0 21.11 -999 ? MG MG B 400 >HIS~B 23 11.25 92.80 -1.41 11.65 94.32 -2.80 11.45 93.56 -2.11 3 0 24.38 -999 ? MG MG B 400 >PHE~B 24 8.43 86.40 3.03 8.33 84.00 4.47 8.38 85.20 3.75 3 0 22.91 -999 ? MG MG B 400 >PHE~B 25 7.08 84.23 -1.31 4.83 83.49 0.21 5.95 83.86 -0.55 3 0 21.22 -999 ? MG MG B 400 >GLN~B 26 12.09 87.64 -4.78 12.19 89.64 -5.53 12.14 88.64 -5.15 2 0 26.13 -999 ? MG MG B 400 >ALA~B 27 14.40 85.83 0.55 13.99 86.58 1.82 14.20 86.21 1.18 2 0 27.66 -999 ? MG MG B 400 >ILE~B 28 11.78 81.70 0.81 11.63 80.95 2.07 11.70 81.33 1.44 3 0 27.42 -999 ? MG MG B 400 >GLU~B 29 12.96 81.56 -4.48 12.92 79.45 -4.72 12.94 80.51 -4.60 2 0 29.97 -999 ? MG MG B 400 >GLN~B 30 19.45 85.10 -1.10 19.65 87.06 -0.30 19.55 86.08 -0.70 2 0 33.08 -999 ? MG MG B 400 >ALA~B 31 18.19 80.80 1.41 17.11 80.55 2.45 17.65 80.67 1.93 2 0 32.65 -999 ? MG MG B 400 >TYR~B 32 16.11 76.61 -0.61 14.39 75.44 1.26 15.25 76.03 0.32 3 0 33.14 -999 ? MG MG B 400 >ASP~B 33 20.31 80.84 -4.18 21.47 81.13 -5.93 20.89 80.98 -5.05 2 0 37.14 -999 ? MG MG B 400 >GLN.B 34 23.71 83.82 -2.28 22.35 84.26 -3.85 23.03 84.04 -3.07 2 0 36.68 -999 ? MG MG B 400 >GLY.B 35 22.27 81.69 1.45 22.18 82.32 0.88 22.23 82.01 1.16 1 0 37.02 -999 ? MG MG B 400 >ILE^B 36 19.47 84.88 3.12 18.16 85.27 3.47 18.82 85.07 3.29 3 0 32.77 -999 ? MG MG B 400 >ALA^B 37 21.87 86.54 6.57 22.33 87.99 6.66 22.10 87.27 6.61 2 0 35.92 -999 ? MG MG B 400 >ARG~B 38 19.55 84.41 13.21 18.53 83.85 16.05 19.04 84.13 14.63 2 0 35.98 -999 ? MG MG B 400 >GLU~B 39 21.15 90.27 9.60 22.83 89.11 10.18 21.99 89.69 9.89 2 0 36.94 -999 ? MG MG B 400 >ASP~B 40 18.78 89.57 5.49 17.91 90.17 3.65 18.35 89.87 4.57 2 0 30.92 -999 ? MG MG B 400 >LEU~B 41 15.98 85.36 6.55 14.85 83.72 5.73 15.42 84.54 6.14 3 0 30.01 -999 ? MG MG B 400 >LEU~B 42 14.61 87.40 11.23 14.71 85.55 12.37 14.66 86.47 11.80 3 0 30.24 -999 ? MG MG B 400 >GLY~B 43 13.42 91.11 8.90 13.16 90.41 8.49 13.29 90.76 8.70 1 0 27.36 -999 ? MG MG B 400 >LYS~B 44 11.63 90.08 5.72 15.29 91.03 1.79 13.46 90.55 3.76 2 0 28.13 -999 ? MG MG B 400 >TYR~B 45 8.95 85.57 9.14 6.86 84.05 10.23 7.90 84.81 9.69 3 0 24.03 -999 ? MG MG B 400 >ARG~B 46 9.97 93.12 12.58 10.27 95.73 14.16 10.12 94.43 13.37 2 0 26.43 -999 ? MG MG B 400 >ARG~B 47 6.74 95.13 6.32 4.41 97.05 5.76 5.57 96.09 6.04 2 0 17.99 -999 ? MG MG B 400 >PHE~B 48 5.19 87.22 5.17 3.41 85.20 4.38 4.30 86.21 4.77 3 0 18.96 -999 ? MG MG B 400 >LYS~B 49 3.72 88.92 9.24 1.33 85.02 10.24 2.53 86.97 9.74 2 0 18.86 -999 ? MG MG B 400 >GLU~B 50 4.58 94.01 10.69 5.99 95.54 10.34 5.29 94.78 10.52 2 0 20.87 -999 ? MG MG B 400 >ILE~B 51 1.75 92.29 4.97 2.24 92.89 3.82 2.00 92.59 4.39 3 0 15.08 -999 ? MG MG B 400 >VAL~B 52 -0.22 88.66 6.77 0.06 87.25 5.12 -0.08 87.96 5.95 3 0 14.69 -999 ? MG MG B 400 >PRO.B 53 -2.72 89.98 10.10 -1.04 88.55 9.79 -1.88 89.26 9.94 3 0 14.63 -999 ? MG MG B 400 >SER~B 54 -3.41 85.40 9.76 -5.09 84.13 8.54 -4.25 84.77 9.15 2 0 14.33 -999 ? MG MG B 400 >LYS~B 55 -1.88 82.00 10.46 0.19 80.49 14.52 -0.84 81.24 12.49 2 0 22.82 -999 ? MG MG B 400 >SER~B 56 -4.32 80.52 7.95 -6.29 80.05 9.28 -5.31 80.29 8.62 2 0 17.20 -999 ? MG MG B 400 >GLU~B 57 -3.34 85.12 3.83 -3.62 87.21 3.80 -3.48 86.16 3.82 2 0 11.52 -999 ? MG MG B 400 >GLU~B 58 2.40 81.75 7.21 3.31 81.72 9.12 2.86 81.74 8.16 2 0 21.57 -999 ? MG MG B 400 >LYS~B 59 -0.22 78.57 5.42 -2.19 76.13 10.88 -1.20 77.35 8.15 2 0 22.74 -999 ? MG MG B 400 >GLN~B 60 -4.61 79.23 2.70 -6.40 80.36 2.61 -5.51 79.80 2.65 2 0 14.92 -999 ? MG MG B 400 >LEU~B 61 0.99 82.75 1.29 0.16 84.66 0.73 0.58 83.71 1.01 3 0 16.69 -999 ? MG MG B 400 >PHE~B 62 4.34 79.43 4.05 5.66 81.25 5.74 5.00 80.34 4.90 3 0 22.55 -999 ? MG MG B 400 >ARG~B 63 -1.49 73.65 0.01 -3.11 73.56 -2.59 -2.30 73.60 -1.29 2 0 22.74 -999 ? MG MG B 400 >ALA~B 64 0.83 77.91 -3.07 -0.02 79.19 -3.16 0.40 78.55 -3.12 2 0 19.85 -999 ? MG MG B 400 >TYR~B 65 6.53 80.43 -2.98 8.96 81.16 -4.15 7.74 80.79 -3.56 3 0 24.71 -999 ? MG MG B 400 >GLU~B 66 6.50 75.61 -0.27 5.95 75.10 1.69 6.23 75.36 0.71 2 0 26.43 -999 ? MG MG B 400 >GLN~B 67 1.40 73.76 -6.78 -0.60 74.49 -6.94 0.40 74.12 -6.86 2 0 24.22 -999 ? MG MG B 400 >GLU~B 68 4.28 76.60 -9.35 3.05 77.76 -8.09 3.67 77.18 -8.72 2 0 24.34 -999 ? MG MG B 400 >ASN~B 69 9.44 77.10 -5.32 9.05 78.68 -6.71 9.25 77.89 -6.01 2 0 27.67 -999 ? MG MG B 400 >ASP.B 70 11.98 71.90 -4.87 12.79 70.45 -3.57 12.39 71.17 -4.22 2 0 34.92 -999 ? MG MG B 400 >VAL.B 71 11.39 74.65 -0.83 11.44 76.67 -1.68 11.41 75.66 -1.26 3 0 30.29 -999 ? MG MG B 400 >SER~B 72 9.84 74.74 2.62 9.47 73.78 4.80 9.66 74.26 3.71 2 0 30.10 -999 ? MG MG B 400 >CYH~B 73 8.94 78.23 3.74 7.67 79.37 1.50 8.31 78.80 2.62 2 0 24.98 -999 ? MG MG B 400 >TYR~B 74 6.80 75.53 8.95 6.66 74.97 11.69 6.73 75.25 10.32 3 0 28.38 -999 ? MG MG B 400 >GLN~B 75 10.79 72.47 7.41 10.35 72.01 9.46 10.57 72.24 8.43 2 0 32.79 -999 ? MG MG B 400 >THR~B 76 13.35 77.86 6.55 13.87 78.58 4.57 13.61 78.22 5.56 2 0 30.81 -999 ? MG MG B 400 >ILE~B 77 10.32 81.00 8.72 10.63 82.42 8.60 10.48 81.71 8.66 3 0 27.19 -999 ? MG MG B 400 >LYS~B 78 11.66 77.93 11.80 9.99 74.12 15.38 10.83 76.03 13.59 2 0 33.22 -999 ? MG MG B 400 >LYS~B 79 15.42 77.48 11.46 18.54 73.84 8.16 16.98 75.66 9.81 2 0 37.73 -999 ? MG MG B 400 >ALA~B 80 16.05 81.24 11.30 15.52 82.16 10.21 15.78 81.70 10.76 2 0 31.83 -999 ? MG MG B 400 >ARG~B 81 10.01 82.11 13.63 7.52 81.85 15.40 8.76 81.98 14.52 2 0 27.44 -999 ? MG MG B 400 >GLU~B 82 13.18 77.70 16.47 12.35 75.76 16.46 12.76 76.73 16.46 2 0 34.43 -999 ? MG MG B 400 >GLU~B 83 18.67 76.65 14.27 19.60 75.22 13.02 19.13 75.93 13.64 2 0 39.09 -999 ? MG MG B 400 >MET?B 84 21.58 81.52 16.18 22.07 82.38 20.32 21.82 81.95 18.25 2 0 41.28 -999 ? MG MG B 400 >GLU.B 85 23.01 78.31 12.71 24.56 77.70 14.01 23.79 78.01 13.36 2 0 42.56 -999 ? MG MG B 400 >GLU.B 86 25.84 85.25 12.99 27.63 86.35 13.26 26.74 85.80 13.13 2 0 42.75 -999 ? MG MG B 400 >HIS^B 87 25.43 82.40 5.57 25.24 81.99 3.52 25.33 82.20 4.55 3 0 39.91 -999 ? MG MG B 400 >ILE^B 88 19.86 80.98 6.92 18.66 80.93 7.67 19.26 80.95 7.30 3 0 34.99 -999 ? MG MG B 400 >GLN.B 89 23.27 76.67 2.37 23.19 77.80 0.57 23.23 77.23 1.47 2 0 39.31 -999 ? MG MG B 400 >MET?B 90 18.86 75.47 3.06 16.87 76.06 5.74 17.87 75.76 4.39 2 0 34.79 -999 ? MG MG B 400