REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-AUG-05 2ARH COMPND HYPOTHETICAL PROTEIN AQ_1966; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; SOURCE 3 ORGANISM_TAXID: 63363; SOURCE 4 GENE: AQ_1966; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.QIU,Y.KIM,X.YANG,F.COLLART,A.JOACHIMIAK,A.KOSSIAKOFF,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 144 8 HET MSE B 1 8 HET MSE B 144 8 HET MSE C 144 8 HET SO4 A 202 5 HET CA A 203 1 HET SE C 202 1 HET SE C 203 1 SITE 1 AC1 8 PHE A 32 LYS A 33 GLU A 34 PHE A 53 SITE 1 AC2 3 LYS A 3 GLU A 6 HIS A 93 SITE 1 AC3 4 GLU A 182 TYR C 4 PHE C 36 SE C 203 SITE 1 AC4 3 GLU A 182 TYR C 4 SE C 202 >ASP~A -1 19.27 45.17 69.71 18.16 46.93 70.22 18.71 46.05 69.97 2 0 10.78 -999 ? CA CA A 203 >ALA~A 0 23.32 46.47 71.02 23.59 47.94 71.35 23.45 47.20 71.18 2 0 7.08 -999 ? O4 SO4 A 202 >MET?A 1 21.49 44.74 73.94 21.31 45.46 77.27 21.40 45.10 75.61 2 0 11.59 -999 ? O4 SO4 A 202 >VAL~A 2 20.92 41.29 72.40 19.65 40.39 70.79 20.28 40.84 71.60 3 0 6.64 -999 ? CA CA A 203 >LYS~A 3 24.65 41.27 71.50 27.47 43.50 68.25 26.06 42.38 69.88 2 0 -5.12 -999 ? CA CA A 203s >TYR~A 4 25.39 44.05 77.11 26.26 44.52 79.69 25.83 44.28 78.40 3 0 11.50 -999 ? O2 SO4 A 202 >GLU~A 5 21.26 40.82 77.32 21.91 41.20 79.38 21.59 41.01 78.35 2 0 12.69 -999 ? CA CA A 203 >GLU~A 6 23.61 36.72 72.26 23.37 37.09 70.16 23.49 36.90 71.21 2 0 -3.92 -999 ? CA CA A 203s >LEU~A 7 29.09 39.74 75.11 29.75 40.64 73.24 29.42 40.19 74.17 3 0 8.30 -999 ? CA CA A 203 >LEU~A 8 26.91 38.79 79.84 27.30 40.75 80.58 27.11 39.77 80.21 3 0 13.16 -999 ? CA CA A 203 >LYS~A 9 26.31 34.66 78.80 23.04 30.15 77.95 24.68 32.41 78.37 2 0 14.12 -999 ? CA CA A 203 >THR~A 10 29.16 32.87 77.00 29.47 33.06 74.82 29.31 32.97 75.91 2 0 10.70 -999 ? CA CA A 203 >LEU~A 11 32.21 36.32 78.59 33.55 36.92 76.88 32.88 36.62 77.74 3 0 13.38 -999 ? CA CA A 203 >GLU~A 12 29.42 36.44 83.00 27.66 37.46 83.45 28.54 36.95 83.22 2 0 16.52 -999 ? CA CA A 203 >ASN~A 13 28.91 29.91 80.28 29.61 27.90 79.82 29.26 28.91 80.05 2 0 17.49 -999 ? CA CA A 203 >GLY~A 14 33.38 30.57 80.36 32.83 30.33 79.79 33.10 30.45 80.08 1 0 17.78 -999 ? CA CA A 203 >ILE.A 15 35.72 30.29 76.06 35.64 31.01 74.96 35.68 30.65 75.51 3 0 15.96 -999 ? CA CA A 203 >ASN.A 16 36.26 24.77 78.05 37.27 23.40 79.35 36.77 24.08 78.70 2 0 23.35 -999 ? CA CA A 203 >SER.A 17 40.52 25.56 76.67 42.06 27.29 77.33 41.29 26.43 77.00 2 0 23.10 -999 ? CA CA A 203 >GLU.A 18 44.81 21.16 77.16 46.28 20.34 75.90 45.54 20.75 76.53 2 0 29.70 -999 ? CA CA A 203 >GLU.A 19 46.73 27.08 76.93 46.09 25.96 75.16 46.41 26.52 76.04 2 0 26.11 -999 ? CA CA A 203 >GLY.A 20 42.16 26.99 81.22 41.93 27.06 80.45 42.04 27.03 80.83 1 0 25.26 -999 ? CA CA A 203 >GLU.A 21 36.18 28.28 81.93 35.14 26.54 81.24 35.66 27.41 81.59 2 0 21.40 -999 ? CA CA A 203 >ILE^A 22 38.61 32.42 78.51 39.29 33.07 77.42 38.95 32.75 77.97 3 0 18.73 -999 ? CA CA A 203 >ARG^A 23 35.27 31.62 85.19 36.75 28.97 85.69 36.01 30.29 85.44 2 0 24.14 -999 ? CA CA A 203 >LEU^A 24 33.24 37.98 81.82 32.44 40.00 81.49 32.84 38.99 81.65 3 0 16.42 -999 ? CA CA A 203 >VAL^A 25 35.73 38.83 85.73 37.67 37.83 85.93 36.70 38.33 85.83 3 0 21.99 -999 ? CA CA A 203 >ARG^A 26 36.01 45.69 86.69 37.97 48.08 86.64 36.99 46.88 86.67 2 0 18.46 -999 ? O2 SO4 A 202 >LYS^A 27 32.96 45.06 83.45 27.70 42.78 84.07 30.33 43.92 83.76 2 0 16.11 -999 ? O2 SO4 A 202 >SER^A 28 33.20 48.83 83.29 35.55 49.22 83.24 34.38 49.03 83.26 2 0 14.15 -999 ? O2 SO4 A 202 >GLN^A 29 28.90 52.56 81.02 29.23 53.02 78.96 29.06 52.79 79.99 2 0 6.75 -999 ? O2 SO4 A 202 >GLY.A 30 33.53 53.25 78.75 32.79 53.46 78.96 33.16 53.36 78.85 1 0 8.60 -999 ? O2 SO4 A 202 >ARG.A 31 36.12 58.03 75.13 38.16 60.04 76.34 37.14 59.04 75.74 2 0 12.30 -999 ? O1 SO4 A 202 >PHE.A 32 31.77 56.73 73.00 33.85 58.40 72.19 32.81 57.57 72.60 3 0 -5.89 -999 ? O3 SO4 A 202s >LYS.A 33 27.16 54.25 75.98 22.17 54.50 74.15 24.66 54.37 75.07 2 0 -4.17 -999 ? O4 SO4 A 202s >GLU.A 34 25.67 51.32 72.43 24.21 50.51 73.80 24.94 50.91 73.12 2 0 -4.87 -999 ? O4 SO4 A 202s >GLU^A 35 33.72 51.65 74.62 34.76 53.42 74.29 34.24 52.53 74.45 2 0 7.30 -999 ? O2 SO4 A 202 >PHE^A 36 30.25 47.87 78.30 27.54 48.73 78.56 28.89 48.30 78.43 3 0 8.30 -999 ? O2 SO4 A 202 >ASN^A 37 37.00 47.82 79.99 38.31 49.10 78.87 37.66 48.46 79.43 2 0 13.30 -999 ? O2 SO4 A 202 >PHE^A 38 33.37 42.79 78.50 30.63 43.33 78.22 32.00 43.06 78.36 3 0 13.10 -999 ? O2 SO4 A 202 >ASP^A 39 38.69 42.60 83.30 39.08 44.70 83.37 38.89 43.65 83.33 2 0 18.27 -999 ? O2 SO4 A 202 >LEU^A 40 39.13 37.99 79.79 37.51 38.22 78.34 38.32 38.10 79.07 3 0 17.86 -999 ? CA CA A 203 >SER^A 41 40.90 35.87 83.35 39.26 35.24 85.02 40.08 35.55 84.19 2 0 23.14 -999 ? CA CA A 203 >LEU^A 42 43.64 32.58 81.21 43.93 30.56 80.34 43.79 31.57 80.78 3 0 23.82 -999 ? SE SE C 202 >GLY.A 43 41.97 30.11 84.99 41.84 30.99 84.85 41.91 30.55 84.92 1 0 25.76 -999 ? SE SE C 202 >SER.A 44 42.68 32.33 87.94 44.06 32.14 89.95 43.37 32.24 88.95 2 0 23.43 -999 ? SE SE C 202 >LYS^A 45 45.22 34.67 86.33 50.39 32.31 87.32 47.80 33.49 86.82 2 0 17.96 -999 ? SE SE C 202 >PRO^A 46 45.14 39.10 86.52 44.52 37.49 85.05 44.83 38.29 85.79 3 0 19.50 -999 ? SE SE C 202 >LEU^A 47 43.28 36.28 80.11 43.80 35.42 78.07 43.54 35.85 79.09 3 0 22.26 -999 ? CA CA A 203 >LEU^A 48 43.63 40.04 77.51 42.05 38.89 76.30 42.84 39.47 76.91 3 0 20.31 -999 ? CA CA A 203 >THR^A 49 40.92 43.20 78.38 41.08 44.95 79.63 41.00 44.08 79.00 2 0 17.64 -999 ? O2 SO4 A 202 >LEU^A 50 37.10 42.22 75.66 37.39 40.31 74.75 37.25 41.27 75.21 3 0 14.77 -999 ? CA CA A 203 >LYS^A 51 37.12 46.76 74.83 38.59 50.95 76.49 37.85 48.86 75.66 2 0 11.98 -999 ? O2 SO4 A 202 >VAL^A 52 33.71 46.07 73.26 32.71 44.68 74.68 33.21 45.38 73.97 3 0 10.28 -999 ? O2 SO4 A 202 >PHE^A 53 31.30 50.64 69.95 29.40 52.60 69.27 30.35 51.62 69.61 3 0 -4.51 -999 ? O2 SO4 A 202s >LEU.A 54 27.21 47.12 72.01 27.27 45.89 73.76 27.24 46.51 72.88 3 0 7.46 -999 ? O2 SO4 A 202 >GLY.A 55 27.12 49.27 67.87 26.94 49.54 68.65 27.03 49.40 68.26 1 0 6.57 -999 ? O2 SO4 A 202 >ARG.A 56 24.54 56.05 68.56 23.29 58.92 68.91 23.91 57.48 68.73 2 0 -5.57 -999 ? O4 SO4 A 202s >LYS.A 57 23.75 51.45 63.89 24.94 45.42 62.59 24.35 48.43 63.24 2 0 7.81 -999 ? CA CA A 203 >PRO.A 58 22.19 54.66 60.68 23.21 52.99 61.76 22.70 53.82 61.22 3 0 10.82 -999 ? O3 SO4 A 202 >TYR.A 59 24.13 56.99 63.70 21.51 57.76 63.37 22.82 57.37 63.54 3 0 8.82 -999 ? O3 SO4 A 202 >TRP.A 60 28.86 56.20 66.47 31.82 57.51 64.16 30.34 56.85 65.31 3 0 6.19 -999 ? O3 SO4 A 202 >GLN.A 61 29.38 49.56 61.04 27.31 49.03 60.93 28.34 49.29 60.99 2 0 11.75 -999 ? O3 SO4 A 202 >PRO.A 62 28.08 46.03 65.95 29.85 47.50 65.85 28.97 46.76 65.90 3 0 8.70 -999 ? CA CA A 203 >TRP^A 63 33.94 50.07 67.00 36.15 50.20 70.27 35.05 50.14 68.64 3 0 9.09 -999 ? O2 SO4 A 202 >VAL^A 64 36.04 44.66 69.69 36.11 42.46 70.17 36.08 43.56 69.93 3 0 12.24 -999 ? CA CA A 203 >GLU^A 65 41.24 47.35 71.17 41.68 49.09 72.29 41.46 48.22 71.73 2 0 14.79 -999 ? O2 SO4 A 202 >VAL^A 66 41.73 42.88 72.32 41.93 40.72 71.62 41.83 41.80 71.97 3 0 17.69 -999 ? CA CA A 203 >PHE^A 67 43.56 46.60 75.21 42.03 47.79 77.25 42.80 47.20 76.23 3 0 16.95 -999 ? O2 SO4 A 202 >GLY.A 68 46.45 44.31 77.57 46.36 43.64 77.06 46.41 43.97 77.31 1 0 18.38 -999 ? SE SE C 202 >VAL.A 69 47.61 40.73 77.39 47.75 39.30 75.77 47.68 40.01 76.58 3 0 18.29 -999 ? SE SE C 202 >ASN~A 70 48.55 38.56 81.56 49.59 38.38 83.39 49.07 38.47 82.48 2 0 15.11 -999 ? SE SE C 202 >PRO~A 71 52.77 42.09 80.65 52.23 39.98 80.23 52.50 41.03 80.44 3 0 12.22 -999 ? SE SE C 202 >ASN~A 72 53.89 36.75 83.54 52.36 36.15 84.90 53.12 36.45 84.22 2 0 13.80 -999 ? SE SE C 202 >LEU~A 73 49.45 34.85 80.24 48.30 33.57 81.63 48.88 34.21 80.93 3 0 18.21 -999 ? SE SE C 202 >ARG~A 74 55.36 37.84 76.81 58.31 38.68 77.38 56.84 38.26 77.09 2 0 10.84 -999 ? SE SE C 202 >ASN~A 75 55.40 32.20 76.04 56.91 33.64 75.37 56.16 32.92 75.71 2 0 15.91 -999 ? SE SE C 202 >VAL~A 76 50.95 30.67 76.89 50.31 29.99 78.94 50.63 30.33 77.92 3 0 20.33 -999 ? SE SE C 202 >PHE~A 77 46.49 34.46 74.73 44.33 35.44 73.22 45.41 34.95 73.98 3 0 21.91 -999 ? CA CA A 203 >PHE~A 78 50.14 35.74 71.51 49.38 38.33 72.29 49.76 37.03 71.90 3 0 20.27 -999 ? SE SE C 202 >GLY.A 79 49.06 30.17 69.33 48.63 30.27 70.00 48.84 30.22 69.66 1 0 25.60 -999 ? SE SE C 202 >SER~A 80 46.98 28.33 71.96 46.05 30.02 73.42 46.51 29.17 72.69 2 0 23.77 -999 ? CA CA A 203 >GLU~A 81 41.68 25.03 72.22 41.10 23.43 73.47 41.39 24.23 72.84 2 0 23.35 -999 ? CA CA A 203 >ALA~A 82 42.48 29.51 74.05 43.22 29.88 75.34 42.85 29.69 74.69 2 0 22.00 -999 ? CA CA A 203 >GLU~A 83 44.87 33.69 70.25 46.55 33.75 69.05 45.71 33.72 69.65 2 0 22.30 -999 ? CA CA A 203 >ARG~A 84 42.35 27.17 66.67 43.18 24.78 68.44 42.77 25.98 67.56 2 0 23.21 -999 ? CA CA A 203 >LYS~A 85 38.41 29.82 70.77 37.86 25.26 68.32 38.14 27.54 69.54 2 0 18.96 -999 ? CA CA A 203 >LEU~A 86 39.44 34.23 72.75 39.06 36.11 73.79 39.25 35.17 73.27 3 0 15.99 -999 ? CA CA A 203 >TYR~A 87 41.16 35.50 67.91 43.51 36.67 68.94 42.34 36.08 68.43 3 0 17.66 -999 ? CA CA A 203 >GLU~A 88 35.54 29.99 66.67 36.25 28.00 66.96 35.90 28.99 66.81 2 0 15.85 -999 ? CA CA A 203 >PHE~A 89 33.08 34.60 72.06 31.66 36.45 73.64 32.37 35.53 72.85 3 0 9.95 -999 ? CA CA A 203 >LEU~A 90 35.88 38.00 68.97 36.45 38.72 71.01 36.16 38.36 69.99 3 0 11.53 -999 ? CA CA A 203 >SER~A 91 34.04 36.68 65.00 34.53 34.39 64.26 34.29 35.53 64.63 2 0 11.07 -999 ? CA CA A 203 >GLU~A 92 30.39 33.10 65.89 30.56 31.52 67.28 30.47 32.31 66.58 2 0 9.44 -999 ? CA CA A 203 >HIS.A 93 28.93 37.79 69.19 27.72 36.22 69.89 28.33 37.00 69.54 3 0 -4.59 -999 ? CA CA A 203s >PHE.A 94 32.56 42.35 67.90 31.66 42.73 70.57 32.11 42.54 69.24 3 0 8.14 -999 ? CA CA A 203 >GLY.A 95 32.53 42.65 61.90 32.97 42.90 62.55 32.75 42.78 62.23 1 0 9.88 -999 ? CA CA A 203 >ARG^A 96 36.32 48.19 63.32 36.08 51.19 62.85 36.20 49.69 63.08 2 0 12.34 -999 ? O3 SO4 A 202 >ILE^A 97 38.52 41.93 65.40 39.20 40.68 65.61 38.86 41.30 65.51 3 0 14.15 -999 ? CA CA A 203 >PHE^A 98 40.85 47.48 66.63 39.42 49.46 65.29 40.14 48.47 65.96 3 0 15.04 -999 ? O2 SO4 A 202 >VAL^A 99 44.22 42.81 68.27 43.87 40.60 68.31 44.05 41.70 68.29 3 0 19.26 -999 ? CA CA A 203 >GLU^A 100 48.56 45.38 71.78 48.38 46.51 73.51 48.47 45.95 72.64 2 0 18.89 -999 ? SE SE C 202 >TYR.A 101 51.04 43.20 66.42 52.17 45.44 65.13 51.61 44.32 65.78 3 0 22.47 -999 ? SE SE C 202 >PHE.A 102 54.19 45.58 72.15 56.66 46.74 72.88 55.43 46.16 72.52 3 0 14.81 -999 ? SE SE C 202 >GLU.A 103 52.27 41.68 74.83 52.39 41.40 76.81 52.33 41.54 75.82 2 0 13.98 -999 ? SE SE C 202 >ASP~A 104 52.03 38.24 69.32 51.91 36.62 67.95 51.97 37.43 68.63 2 0 21.98 -999 ? SE SE C 202 >LYS~A 105 56.88 37.88 69.02 59.52 33.79 71.95 58.20 35.84 70.49 2 0 17.35 -999 ? SE SE C 202 >GLU~A 106 55.40 33.58 64.66 54.47 31.63 64.60 54.93 32.61 64.63 2 0 25.71 -999 ? SE SE C 202 >THR~A 107 53.68 38.17 64.53 51.52 38.51 64.70 52.60 38.34 64.61 2 0 24.22 -999 ? SE SE C 202 >THR~A 108 55.94 41.05 65.51 56.53 42.03 67.35 56.24 41.54 66.43 2 0 19.05 -999 ? SE SE C 202 >TYR~A 109 60.57 37.47 63.36 62.57 36.58 61.63 61.57 37.03 62.49 3 0 23.79 -999 ? SE SE C 202 >GLU~A 110 55.94 36.08 61.16 54.18 34.86 61.32 55.06 35.47 61.24 2 0 27.15 -999 ? SE SE C 202 >LEU~A 111 54.49 42.68 61.20 52.30 42.37 61.26 53.40 42.53 61.23 3 0 25.80 -999 ? SE SE C 202 >GLN~A 112 60.88 44.26 61.81 62.16 43.79 63.43 61.52 44.02 62.62 2 0 21.59 -999 ? SE SE C 202 >LYS~A 113 60.10 41.17 57.71 64.87 39.70 59.66 62.48 40.44 58.69 2 0 25.84 -999 ? SE SE C 202 >GLY.A 114 57.23 42.43 55.56 57.18 41.73 55.90 57.21 42.08 55.73 1 0 30.11 -999 ? SE SE C 202 >VAL.A 115 54.81 39.53 55.60 54.87 37.93 57.14 54.84 38.73 56.37 3 0 30.40 -999 ? SE SE C 202 >PRO~A 116 51.79 39.69 52.54 51.96 40.43 54.66 51.88 40.06 53.60 3 0 30.16 -999 ? CA CA A 203 >PRO~A 117 48.87 43.50 56.96 49.63 41.39 57.25 49.25 42.44 57.10 3 0 26.50 -999 ? CA CA A 203 >ALA~A 118 46.68 38.64 56.81 45.78 38.76 55.60 46.23 38.70 56.20 2 0 23.84 -999 ? CA CA A 203 >LEU~A 119 50.04 35.66 55.18 49.09 34.89 53.42 49.56 35.27 54.30 3 0 28.04 -999 ? CA CA A 203 >SER~A 120 51.13 36.72 59.75 50.20 38.62 60.88 50.66 37.67 60.32 2 0 26.01 -999 ? CA CA A 203 >ARG~A 121 51.35 32.94 66.14 48.68 34.09 67.23 50.01 33.51 66.68 2 0 24.22 -999 ? CA CA A 203 >LEU~A 122 48.16 37.89 64.99 46.74 39.19 66.06 47.45 38.54 65.52 3 0 22.53 -999 ? CA CA A 203 >GLY~A 123 46.26 37.92 61.15 46.45 37.12 61.27 46.36 37.52 61.21 1 0 22.17 -999 ? CA CA A 203 >PHE~A 124 46.78 32.29 58.66 45.91 29.97 57.45 46.34 31.13 58.05 3 0 24.59 -999 ? CA CA A 203 >GLU~A 125 43.77 32.97 64.92 44.76 31.49 65.94 44.27 32.23 65.43 2 0 21.24 -999 ? CA CA A 203 >LEU~A 126 41.82 37.74 62.16 42.25 38.68 64.13 42.04 38.21 63.15 3 0 17.56 -999 ? CA CA A 203 >LEU~A 127 42.91 35.34 57.30 43.27 35.49 55.11 43.09 35.41 56.20 3 0 21.53 -999 ? CA CA A 203 >LYS~A 128 40.37 32.00 58.69 42.93 27.19 59.77 41.65 29.59 59.23 2 0 22.81 -999 ? CA CA A 203 >LEU.A 129 37.66 34.06 61.91 38.28 32.70 63.58 37.97 33.38 62.75 3 0 14.90 -999 ? CA CA A 203 >GLY.A 130 36.09 35.70 57.70 36.76 35.94 58.02 36.43 35.82 57.86 1 0 15.04 -999 ? CA CA A 203 >TYR.A 131 37.97 39.35 60.81 36.39 39.42 63.09 37.18 39.39 61.95 3 0 13.29 -999 ? CA CA A 203 >THR.A 132 39.46 40.11 54.92 38.43 38.95 53.34 38.94 39.53 54.13 2 0 19.34 -999 ? CA CA A 203 >TYR^A 133 38.40 44.86 54.15 36.24 44.53 52.38 37.32 44.70 53.26 3 0 19.45 -999 ? CA CA A 203 >PHE^A 134 43.94 41.66 57.44 42.76 39.25 58.08 43.35 40.45 57.76 3 0 20.70 -999 ? CA CA A 203 >ARG^A 135 45.62 50.23 57.67 46.08 53.09 58.49 45.85 51.66 58.08 2 0 22.28 -999 ? O3 SO4 A 202 >ASP^A 136 50.29 46.20 59.70 52.03 45.88 60.94 51.16 46.04 60.32 2 0 26.57 -999 ? SE SE C 202 >TRP.A 137 45.89 49.79 63.14 45.75 53.47 61.73 45.82 51.63 62.44 3 0 20.38 -999 ? O3 SO4 A 202 >PHE.A 138 54.09 50.02 61.75 54.35 50.90 59.04 54.22 50.46 60.39 3 0 26.84 -999 ? SE SE C 202 >ILE.A 139 51.63 54.28 66.28 50.67 55.34 66.18 51.15 54.81 66.23 3 0 23.97 -999 ? O3 SO4 A 202 >PRO.A 140 56.80 55.42 66.67 55.35 54.13 67.81 56.07 54.77 67.24 3 0 21.68 -999 ? SE SE C 202 >GLU.A 141 54.07 51.49 73.58 52.45 50.42 72.61 53.26 50.95 73.09 2 0 17.43 -999 ? SE SE C 202 >GLY.A 142 56.95 56.40 73.13 56.29 56.44 72.56 56.62 56.42 72.85 1 0 17.87 -999 ? SE SE C 202 >LEU.A 143 54.62 58.50 69.53 53.25 60.07 68.75 53.93 59.28 69.14 3 0 23.53 -999 ? SE SE C 202 >MET?A 144 51.34 56.91 72.00 47.96 56.57 69.39 49.65 56.74 70.69 2 0 20.42 -999 ? O3 SO4 A 202 >GLU.A 145 51.55 53.90 76.49 51.07 54.80 78.43 51.31 54.35 77.46 2 0 17.19 -999 ? SE SE C 202 >GLY.A 146 48.44 51.21 72.07 48.97 51.59 71.68 48.71 51.40 71.88 1 0 20.73 -999 ? SE SE C 202 >GLY.A 147 49.62 51.57 68.46 49.91 50.92 68.79 49.77 51.25 68.62 1 0 22.39 -999 ? O2 SO4 A 202 >HIS.A 148 53.26 48.33 68.06 54.86 49.68 67.93 54.06 49.01 67.99 3 0 19.81 -999 ? SE SE C 202 >LYS^A 149 47.51 46.57 66.54 44.56 50.17 70.68 46.04 48.37 68.61 2 0 17.36 -999 ? O2 SO4 A 202 >ILE^A 150 46.38 43.05 63.38 46.93 42.02 62.65 46.66 42.53 63.01 3 0 22.34 -999 ? CA CA A 203 >GLN^A 151 41.41 48.06 62.18 41.25 50.01 61.28 41.33 49.04 61.73 2 0 17.48 -999 ? O3 SO4 A 202 >ALA^A 152 40.64 43.66 60.51 41.10 42.18 60.73 40.87 42.92 60.62 2 0 17.64 -999 ? CA CA A 203 >GLU^A 153 37.96 46.11 57.87 39.42 47.17 59.09 38.69 46.64 58.48 2 0 18.42 -999 ? CA CA A 203 >LYS.A 154 34.66 41.33 57.54 32.92 36.83 60.80 33.79 39.08 59.17 2 0 10.47 -999 ? CA CA A 203 >PRO.A 155 34.13 39.88 53.30 34.04 41.78 54.49 34.08 40.83 53.89 3 0 16.24 -999 ? CA CA A 203 >LYS.A 156 30.32 43.56 52.94 33.05 45.43 51.85 31.68 44.49 52.40 2 0 18.47 -999 ? CA CA A 203 >THR~A 157 29.83 41.21 49.94 29.47 42.75 48.40 29.65 41.98 49.17 2 0 19.69 -999 ? CA CA A 203 >GLU~A 158 31.06 35.51 47.57 32.37 34.66 49.09 31.72 35.08 48.33 2 0 20.09 -999 ? CA CA A 203 >GLU~A 159 30.91 39.61 43.58 31.78 37.72 43.03 31.35 38.67 43.30 2 0 25.18 -999 ? CA CA A 203 >ALA~A 160 34.58 42.39 47.53 34.01 43.38 48.54 34.30 42.88 48.03 2 0 21.19 -999 ? CA CA A 203 >LYS~A 161 35.76 39.34 49.47 35.19 34.55 53.59 35.48 36.94 51.53 2 0 17.64 -999 ? CA CA A 203 >LYS~A 162 36.97 37.67 46.22 36.53 33.89 48.15 36.75 35.78 47.19 2 0 22.91 -999 ? CA CA A 203 >ARG~A 163 36.34 42.90 43.13 33.81 44.08 44.36 35.08 43.49 43.74 2 0 25.01 -999 ? CA CA A 203 >HIS~A 164 39.67 43.41 49.60 38.82 45.31 49.33 39.24 44.36 49.46 3 0 23.37 -999 ? CA CA A 203 >LEU~A 165 40.98 36.61 48.44 40.50 36.45 50.63 40.74 36.53 49.54 3 0 23.84 -999 ? CA CA A 203 >GLU~A 166 41.20 38.42 43.20 41.09 36.37 42.73 41.14 37.40 42.97 2 0 29.45 -999 ? CA CA A 203 >ASN~A 167 44.53 42.43 46.67 45.80 44.04 46.39 45.16 43.24 46.53 2 0 29.86 -999 ? CA CA A 203 >LEU~A 168 45.61 38.35 50.08 46.43 37.82 52.07 46.02 38.08 51.07 3 0 26.55 -999 ? CA CA A 203 >LYS~A 169 47.87 36.76 46.44 46.95 33.40 41.33 47.41 35.08 43.89 2 0 34.44 -999 ? CA CA A 203 >LYS~A 170 49.84 39.44 44.59 50.66 43.39 40.55 50.25 41.42 42.57 2 0 37.27 -999 ? CA CA A 203 >GLU~A 171 49.99 42.54 48.97 48.26 43.12 50.01 49.13 42.83 49.49 2 0 29.23 -999 ? CA CA A 203 >PHE~A 172 51.58 34.45 48.87 52.68 31.86 48.69 52.13 33.16 48.78 3 0 33.36 -999 ? CA CA A 203 >GLU~A 173 53.09 34.40 44.20 51.21 33.63 43.47 52.15 34.01 43.83 2 0 35.81 -999 ? CA CA A 203 >GLU~A 174 55.51 42.25 45.95 54.58 43.95 46.89 55.05 43.10 46.42 2 0 36.23 -999 ? CA CA A 203 >PHE~A 175 56.51 37.96 51.93 57.94 36.70 53.98 57.23 37.33 52.96 3 0 33.39 -999 ? SE SE C 202 >ILE~A 176 56.76 34.26 48.17 57.07 32.98 48.66 56.92 33.62 48.42 3 0 37.47 -999 ? CA CA A 203 >GLY~A 177 60.24 36.69 45.95 60.05 37.16 46.58 60.14 36.93 46.27 1 0 39.94 -999 ? SE SE C 202 >LYS.A 178 61.68 39.38 48.22 61.35 41.19 52.75 61.51 40.29 50.49 2 0 32.47 -999 ? SE SE C 202 >CYH.A 179 62.58 37.26 51.16 61.52 36.29 53.63 62.05 36.77 52.39 2 0 32.49 -999 ? SE SE C 202 >GLU.A 180 67.91 35.36 51.50 67.77 36.73 49.88 67.84 36.04 50.69 2 0 36.26 -999 ? SE SE C 202 >ASP~A 181 64.18 34.05 56.51 63.59 33.06 58.30 63.89 33.55 57.41 2 0 29.07 -999 ? SE SE C 202 >GLU~A 182 65.35 29.76 52.36 64.70 30.45 50.45 65.03 30.11 51.40 2 0 37.35 -999 ? SE SE C 202s >GLY~A 183 61.84 29.02 57.21 61.65 29.64 56.73 61.75 29.33 56.97 1 0 31.88 -999 ? SE SE C 202 >LEU~A 184 60.09 33.59 57.14 58.76 35.34 57.71 59.42 34.47 57.43 3 0 29.61 -999 ? SE SE C 202 >ILE~A 185 59.79 31.43 52.40 60.39 31.79 51.13 60.09 31.61 51.77 3 0 35.81 -999 ? SE SE C 202 >LYS~A 186 57.73 27.88 54.31 58.83 23.45 57.08 58.28 25.67 55.70 2 0 35.30 -999 ? SE SE C 202 >LYS~A 187 55.40 29.04 57.12 57.81 28.85 61.47 56.61 28.95 59.30 2 0 28.83 -999 ? SE SE C 202 >VAL~A 188 53.75 31.87 55.09 54.37 33.99 54.74 54.06 32.93 54.92 3 0 32.18 -999 ? CA CA A 203 >LYS~A 189 53.39 29.40 52.14 58.05 28.66 47.84 55.72 29.03 49.99 2 0 39.74 -999 ? CA CA A 203 >GLU~A 190 52.72 24.98 55.65 53.92 24.59 57.32 53.32 24.78 56.48 2 0 33.87 -999 ? CA CA A 203 >ARG~A 191 50.39 31.00 59.03 52.72 32.71 60.17 51.55 31.86 59.60 2 0 29.33 -999 ? CA CA A 203 >TYR~A 192 48.92 31.96 49.80 47.53 32.99 47.60 48.23 32.47 48.70 3 0 30.46 -999 ? CA CA A 203 >ASN~A 193 49.09 25.93 50.47 50.59 26.14 48.95 49.84 26.03 49.71 2 0 34.04 -999 ? CA CA A 203 >PHE~A 194 44.49 26.76 55.52 42.10 26.42 56.95 43.30 26.59 56.23 3 0 24.77 -999 ? CA CA A 203 >LEU~A 195 44.22 31.07 51.99 43.33 33.10 51.97 43.78 32.08 51.98 3 0 25.21 -999 ? CA CA A 203 >GLU.A 196 44.39 28.67 48.28 45.78 29.16 46.77 45.09 28.92 47.53 2 0 30.83 -999 ? CA CA A 203 >MET?B 1 45.20 84.49 83.57 45.38 83.88 86.80 45.29 84.18 85.19 2 0 36.02 -999 ? O1 SO4 A 202 >VAL.B 2 42.95 87.39 82.47 43.15 89.36 81.44 43.05 88.38 81.95 3 0 37.08 -999 ? O1 SO4 A 202 >LYS.B 3 41.39 84.61 80.37 41.79 83.76 75.36 41.59 84.19 77.87 2 0 31.38 -999 ? O1 SO4 A 202 >TYR.B 4 42.37 80.67 85.20 41.81 78.68 87.11 42.09 79.68 86.15 3 0 30.89 -999 ? O1 SO4 A 202 >GLU.B 5 41.27 85.37 87.19 40.83 83.90 88.70 41.05 84.64 87.95 2 0 34.75 -999 ? O1 SO4 A 202 >GLU.B 6 37.75 85.84 80.81 38.63 87.54 79.99 38.19 86.69 80.40 2 0 34.16 -999 ? O1 SO4 A 202 >LEU.B 7 37.27 80.46 81.71 38.07 80.12 79.67 37.67 80.29 80.69 3 0 27.47 -999 ? O1 SO4 A 202 >LEU.B 8 36.81 80.98 87.05 37.88 79.26 87.82 37.34 80.12 87.44 3 0 29.83 -999 ? O1 SO4 A 202 >LYS.B 9 33.49 83.88 86.49 32.71 87.45 89.89 33.10 85.66 88.19 2 0 36.02 -999 ? O1 SO4 A 202 >THR.B 10 31.08 82.97 83.67 31.13 83.33 81.54 31.11 83.15 82.60 2 0 28.76 -999 ? O1 SO4 A 202 >LEU.B 11 32.28 78.38 84.31 32.58 77.21 82.50 32.43 77.80 83.40 3 0 24.61 -999 ? O1 SO4 A 202 >GLU.B 12 33.08 79.23 89.50 34.65 80.08 90.72 33.87 79.66 90.11 2 0 30.76 -999 ? O1 SO4 A 202 >ASN.B 13 28.04 83.35 86.76 27.87 85.17 87.85 27.95 84.26 87.30 2 0 32.61 -999 ? O1 SO4 A 202 >GLY.B 14 26.35 79.39 85.48 26.59 80.15 85.14 26.47 79.77 85.31 1 0 26.38 -999 ? O1 SO4 A 202 >ILE^B 15 25.97 79.06 80.62 26.83 79.29 79.45 26.40 79.18 80.03 3 0 24.06 -999 ? O1 SO4 A 202 >ASN^B 16 20.66 80.92 81.93 18.66 80.50 82.56 19.66 80.71 82.25 2 0 27.43 -999 ? O1 SO4 A 202 >SER^B 17 19.57 77.50 78.98 20.26 75.14 78.92 19.92 76.32 78.95 2 0 20.97 -999 ? O1 SO4 A 202 >GLU.B 18 14.17 77.47 77.46 14.81 79.39 76.64 14.49 78.43 77.05 2 0 26.46 -999 ? O1 SO4 A 202 >GLU.B 19 18.17 71.64 76.71 17.62 73.31 75.49 17.90 72.47 76.10 2 0 19.67 -999 ? O1 SO4 A 202 >GLY^B 20 18.96 73.48 82.51 19.27 73.98 81.90 19.11 73.73 82.21 1 0 21.33 -999 ? O1 SO4 A 202 >GLU^B 21 22.72 77.12 85.83 22.31 79.21 85.57 22.51 78.16 85.70 2 0 26.67 -999 ? O1 SO4 A 202 >ILE^B 22 25.86 74.75 81.52 25.79 74.14 80.05 25.82 74.44 80.79 3 0 19.90 -999 ? O1 SO4 A 202 >ARG^B 23 24.90 74.85 88.94 21.85 74.36 88.67 23.38 74.60 88.80 2 0 24.59 -999 ? O1 SO4 A 202 >LEU^B 24 32.17 75.25 87.26 34.33 74.99 87.04 33.25 75.12 87.15 3 0 24.49 -999 ? O1 SO4 A 202 >VAL^B 25 31.22 70.90 88.83 30.13 68.98 88.56 30.68 69.94 88.69 3 0 21.25 -999 ? O1 SO4 A 202 >ARG^B 26 35.10 67.07 90.11 37.85 65.71 89.59 36.47 66.39 89.85 2 0 22.06 -999 ? O1 SO4 A 202 >LYS^B 27 38.22 72.43 87.90 37.04 76.00 90.92 37.63 74.22 89.41 2 0 28.59 -999 ? O1 SO4 A 202 >SER^B 28 41.42 70.41 87.46 41.63 67.99 87.42 41.52 69.20 87.44 2 0 23.74 -999 ? O1 SO4 A 202 >GLN^B 29 46.71 72.42 87.94 48.03 73.20 86.45 47.37 72.81 87.20 2 0 30.24 -999 ? O1 SO4 A 202 >GLY.B 30 46.29 69.48 83.33 46.83 69.78 83.85 46.56 69.63 83.59 1 0 25.64 -999 ? O1 SO4 A 202 >ARG.B 31 50.88 65.53 80.12 48.27 63.90 79.78 49.57 64.72 79.95 2 0 23.65 -999 ? O1 SO4 A 202 >PHE.B 32 51.39 70.85 78.79 52.17 68.78 77.05 51.78 69.81 77.92 3 0 28.58 -999 ? SE SE C 202 >LYS.B 33 51.21 75.21 82.25 54.28 75.76 77.05 52.75 75.49 79.65 2 0 33.38 -999 ? SE SE C 202 >GLU.B 34 49.44 78.69 80.48 48.96 79.92 82.12 49.20 79.31 81.30 2 0 33.62 -999 ? O1 SO4 A 202 >GLU^B 35 45.82 71.45 79.51 46.95 69.83 78.80 46.38 70.64 79.16 2 0 24.87 -999 ? O1 SO4 A 202 >PHE^B 36 43.22 74.81 84.31 45.10 76.32 85.79 44.16 75.56 85.05 3 0 28.58 -999 ? O1 SO4 A 202 >ASN^B 37 39.92 68.86 83.20 40.64 67.63 81.58 40.28 68.25 82.39 2 0 19.80 -999 ? O1 SO4 A 202 >PHE^B 38 37.11 74.39 83.30 39.07 76.41 83.56 38.09 75.40 83.43 3 0 24.54 -999 ? O1 SO4 A 202 >ASP^B 39 33.95 68.30 85.64 35.65 67.02 85.56 34.80 67.66 85.60 2 0 18.76 -999 ? O1 SO4 A 202 >LEU^B 40 30.25 71.36 82.14 31.33 73.18 81.53 30.79 72.27 81.84 3 0 18.77 -999 ? O1 SO4 A 202 >SER^B 41 26.95 70.09 84.67 26.16 69.59 86.84 26.56 69.84 85.76 2 0 19.34 -999 ? O1 SO4 A 202 >LEU^B 42 23.26 69.97 81.72 21.66 70.87 80.43 22.46 70.42 81.08 3 0 17.01 -999 ? O1 SO4 A 202 >GLY.B 43 20.69 70.73 85.63 21.33 70.27 85.63 21.01 70.50 85.63 1 0 20.31 -999 ? O1 SO4 A 202 >SER.B 44 22.34 68.45 88.25 20.45 67.03 88.98 21.40 67.74 88.61 2 0 20.45 -999 ? O1 SO4 A 202 >LYS^B 45 23.30 65.85 85.55 19.67 62.21 85.91 21.48 64.03 85.73 2 0 16.08 -999 ? O1 SO4 A 202 >PRO^B 46 26.96 63.38 85.28 26.36 65.48 84.74 26.66 64.43 85.01 3 0 14.64 -999 ? O1 SO4 A 202 >LEU^B 47 27.03 68.69 80.75 26.14 69.39 78.82 26.59 69.04 79.79 3 0 14.57 -999 ? O1 SO4 A 202 >LEU^B 48 30.47 67.80 78.12 30.49 69.84 77.40 30.48 68.82 77.76 3 0 13.96 -999 ? O1 SO4 A 202 >THR^B 49 34.37 68.16 80.02 35.87 66.89 80.93 35.12 67.52 80.47 2 0 16.04 -999 ? O1 SO4 A 202 >LEU^B 50 35.79 72.67 78.99 34.10 73.85 78.36 34.95 73.26 78.67 3 0 19.68 -999 ? O1 SO4 A 202 >LYS^B 51 39.96 70.74 78.23 42.26 66.46 79.06 41.11 68.60 78.64 2 0 19.39 -999 ? O1 SO4 A 202 >VAL^B 52 41.26 74.30 78.24 40.29 76.06 79.21 40.78 75.18 78.72 3 0 24.16 -999 ? O1 SO4 A 202 >PHE^B 53 46.97 75.43 76.15 49.60 76.38 76.10 48.28 75.91 76.13 3 0 29.18 -999 ? O1 SO4 A 202 >LEU.B 54 45.23 79.81 79.53 43.57 79.19 80.84 44.40 79.50 80.18 3 0 29.98 -999 ? O1 SO4 A 202 >GLY.B 55 48.01 80.02 75.84 48.14 79.85 76.64 48.08 79.94 76.24 1 0 31.90 -999 ? O1 SO4 A 202 >ARG.B 56 54.26 81.06 78.42 51.64 81.66 79.94 52.95 81.36 79.18 2 0 36.13 -999 ? O1 SO4 A 202 >LYS.B 57 51.52 83.01 73.32 46.72 84.86 73.02 49.12 83.93 73.17 2 0 34.78 -999 ? O1 SO4 A 202 >PRO.B 58 55.63 84.33 71.81 53.70 83.37 71.17 54.66 83.85 71.49 3 0 39.14 -999 ? O1 SO4 A 202 >TYR.B 59 56.53 80.26 72.81 58.44 82.19 73.55 57.48 81.23 73.18 3 0 38.91 -999 ? SE SE C 202 >TRP.B 60 53.47 75.82 73.73 53.37 73.51 70.49 53.42 74.67 72.11 3 0 32.15 -999 ? O3 SO4 A 202 >GLN.B 61 48.62 80.47 68.55 49.08 82.55 68.95 48.85 81.51 68.75 2 0 34.55 -999 ? O3 SO4 A 202 >PRO.B 62 45.03 81.39 73.43 45.38 79.32 72.65 45.21 80.36 73.04 3 0 30.25 -999 ? O1 SO4 A 202 >TRP^B 63 45.52 74.57 72.32 44.22 71.55 74.53 44.87 73.06 73.42 3 0 24.57 -999 ? O1 SO4 A 202 >VAL^B 64 39.46 74.33 73.86 37.65 75.52 74.48 38.56 74.93 74.17 3 0 22.04 -999 ? O1 SO4 A 202 >GLU^B 65 39.04 68.36 73.40 40.21 66.85 74.17 39.62 67.61 73.79 2 0 17.02 -999 ? O1 SO4 A 202 >VAL^B 66 34.82 69.76 74.21 33.07 71.04 73.86 33.94 70.40 74.04 3 0 15.85 -999 ? O1 SO4 A 202 >PHE^B 67 36.78 65.45 76.06 38.24 65.33 78.45 37.51 65.39 77.26 3 0 14.62 -999 ? O1 SO4 A 202 >GLY.B 68 33.13 63.40 77.32 32.67 63.93 76.84 32.90 63.67 77.08 1 0 10.44 -999 ? O1 SO4 A 202 >VAL.B 69 29.52 64.16 76.42 28.50 65.47 74.92 29.01 64.82 75.67 3 0 9.27 -999 ? O1 SO4 A 202 >ASN~B 70 26.49 62.88 79.88 25.25 61.59 81.06 25.87 62.24 80.47 2 0 9.93 -999 ? O1 SO4 A 202 >PRO~B 71 27.33 58.31 76.76 25.87 60.04 76.79 26.60 59.18 76.78 3 0 4.89 -999 ? O1 SO4 A 202 >ASN~B 72 22.11 59.66 79.99 22.65 57.66 80.53 22.38 58.66 80.26 2 0 8.89 -999 ? O1 SO4 A 202 >LEU~B 73 22.71 64.54 78.45 21.96 65.41 80.34 22.33 64.97 79.39 3 0 11.86 -999 ? O1 SO4 A 202 >ARG~B 74 23.49 59.87 72.75 23.27 56.88 72.14 23.38 58.37 72.45 2 0 -3.19 -999 ? O4 SO4 A 202s >ASN~B 75 18.63 62.84 72.24 19.33 61.60 70.51 18.98 62.22 71.38 2 0 9.38 -999 ? O4 SO4 A 202 >VAL~B 76 18.99 66.85 75.07 18.52 67.13 77.29 18.76 66.99 76.18 3 0 13.96 -999 ? O1 SO4 A 202 >PHE~B 77 24.78 69.03 74.71 26.96 70.75 74.26 25.87 69.89 74.48 3 0 13.82 -999 ? O1 SO4 A 202 >PHE~B 78 24.96 66.73 70.20 27.48 66.02 71.20 26.22 66.38 70.70 3 0 10.43 -999 ? O1 SO4 A 202 >GLY.B 79 21.19 71.00 68.43 21.28 71.01 69.24 21.24 71.01 68.84 1 0 16.51 -999 ? O1 SO4 A 202 >SER~B 80 20.08 72.72 71.70 21.40 72.25 73.74 20.74 72.48 72.72 2 0 17.01 -999 ? O1 SO4 A 202 >GLU~B 81 19.30 77.99 74.66 17.52 78.66 75.54 18.41 78.33 75.10 2 0 24.51 -999 ? O1 SO4 A 202 >ALA~B 82 22.46 74.99 75.77 22.15 73.76 76.57 22.30 74.38 76.17 2 0 18.58 -999 ? O1 SO4 A 202 >GLU~B 83 26.02 72.46 71.22 25.62 71.20 69.59 25.82 71.83 70.40 2 0 15.41 -999 ? O1 SO4 A 202 >ARG~B 84 21.86 78.39 68.93 19.20 78.85 70.37 20.53 78.62 69.65 2 0 24.09 -999 ? O1 SO4 A 202 >LYS~B 85 25.27 79.23 74.50 20.60 81.38 73.06 22.94 80.30 73.78 2 0 25.97 -999 ? O1 SO4 A 202 >LEU~B 86 28.20 75.46 75.48 29.87 74.43 76.52 29.03 74.95 76.00 3 0 19.10 -999 ? O1 SO4 A 202 >TYR~B 87 29.39 75.38 70.53 29.21 72.60 70.50 29.30 73.99 70.51 3 0 18.09 -999 ? O1 SO4 A 202 >GLU~B 88 27.14 82.80 71.52 25.11 83.33 72.17 26.13 83.07 71.84 2 0 27.20 -999 ? O1 SO4 A 202 >PHE~B 89 31.34 80.53 77.64 33.32 80.02 79.60 32.33 80.28 78.62 3 0 25.31 -999 ? O1 SO4 A 202 >LEU~B 90 33.94 78.08 73.91 34.09 76.46 75.39 34.02 77.27 74.65 3 0 22.27 -999 ? O1 SO4 A 202 >SER~B 91 33.85 81.53 70.89 32.85 82.09 68.81 33.35 81.81 69.85 2 0 26.85 -999 ? O1 SO4 A 202 >GLU~B 92 32.96 84.96 74.74 31.03 85.83 75.18 31.99 85.40 74.96 2 0 29.99 -999 ? O1 SO4 A 202 >HIS.B 93 36.76 83.60 76.76 35.49 84.78 77.94 36.13 84.19 77.35 3 0 29.77 -999 ? O1 SO4 A 202 >PHE.B 94 39.16 79.07 73.76 39.53 78.64 76.54 39.35 78.86 75.15 3 0 25.90 -999 ? O1 SO4 A 202 >GLY.B 95 40.42 80.96 68.24 40.41 80.23 68.64 40.41 80.60 68.44 1 0 28.55 -999 ? O1 SO4 A 202 >ARG^B 96 43.89 75.04 67.05 46.53 74.13 68.42 45.21 74.59 67.73 2 0 26.62 -999 ? O3 SO4 A 202 >ILE^B 97 36.69 75.16 69.08 35.28 75.15 69.11 35.98 75.16 69.10 3 0 21.32 -999 ? O1 SO4 A 202 >PHE^B 98 40.47 70.21 69.08 43.08 70.82 68.20 41.78 70.51 68.64 3 0 20.72 -999 ? O3 SO4 A 202 >VAL^B 99 34.59 69.22 69.53 32.78 70.48 69.70 33.68 69.85 69.62 3 0 15.55 -999 ? O1 SO4 A 202 >GLU^B 100 34.36 63.14 70.91 34.82 62.11 72.72 34.59 62.62 71.81 2 0 9.81 -999 ? O1 SO4 A 202 >TYR.B 101 32.06 64.19 65.18 33.76 62.78 63.52 32.91 63.48 64.35 3 0 11.47 -999 ? O3 SO4 A 202 >PHE.B 102 31.85 58.50 69.09 31.73 55.70 68.79 31.79 57.10 68.94 3 0 -4.79 -999 ? O3 SO4 A 202s >GLU.B 103 28.37 60.74 72.88 27.53 58.78 72.89 27.95 59.76 72.88 2 0 -2.63 -999 ? O1 SO4 A 202s >ASP~B 104 26.83 64.86 67.50 25.62 66.16 66.41 26.22 65.51 66.95 2 0 11.63 -999 ? O3 SO4 A 202 >LYS~B 105 24.42 61.18 65.27 18.20 60.61 66.67 21.31 60.89 65.97 2 0 10.73 -999 ? O4 SO4 A 202 >GLU~B 106 21.99 65.86 61.81 20.69 67.54 62.24 21.34 66.70 62.03 2 0 16.23 -999 ? O3 SO4 A 202 >THR~B 107 26.89 65.24 62.37 28.09 66.74 63.38 27.49 65.99 62.87 2 0 13.40 -999 ? O3 SO4 A 202 >THR~B 108 28.26 61.66 62.35 28.58 60.10 63.85 28.42 60.88 63.10 2 0 8.29 -999 ? O3 SO4 A 202 >TYR~B 109 23.58 60.33 58.61 22.08 59.83 56.32 22.83 60.08 57.47 3 0 14.80 -999 ? O3 SO4 A 202 >GLU~B 110 24.73 65.37 58.21 24.26 67.25 59.07 24.50 66.31 58.64 2 0 16.85 -999 ? O3 SO4 A 202 >LEU~B 111 31.24 63.48 58.98 31.99 65.33 59.95 31.61 64.41 59.46 3 0 14.87 -999 ? O3 SO4 A 202 >GLN~B 112 28.99 57.33 56.98 28.50 55.91 58.59 28.74 56.62 57.79 2 0 12.16 -999 ? O3 SO4 A 202 >LYS~B 113 28.05 60.81 53.78 24.43 58.47 52.70 26.24 59.64 53.24 2 0 18.52 -999 ? O3 SO4 A 202 >GLY.B 114 30.74 63.28 52.59 30.18 63.59 53.06 30.46 63.43 52.83 1 0 19.94 -999 ? O3 SO4 A 202 >VAL.B 115 29.24 66.56 53.84 27.24 67.10 54.82 28.24 66.83 54.33 3 0 19.90 -999 ? O3 SO4 A 202 >PRO~B 116 31.20 70.21 52.20 31.40 68.86 53.99 31.30 69.54 53.09 3 0 22.80 -999 ? O3 SO4 A 202 >PRO~B 117 35.00 68.63 57.40 32.89 69.46 57.27 33.95 69.05 57.33 3 0 20.04 -999 ? O3 SO4 A 202 >ALA~B 118 31.85 73.30 58.07 32.52 74.43 57.29 32.19 73.86 57.68 2 0 23.69 -999 ? O3 SO4 A 202 >LEU~B 119 28.28 72.36 55.11 28.72 74.17 53.84 28.50 73.27 54.48 3 0 24.06 -999 ? O3 SO4 A 202 >SER~B 120 27.72 69.47 58.99 29.62 69.17 60.53 28.67 69.32 59.76 2 0 17.13 -999 ? O3 SO4 A 202 >ARG~B 121 22.98 69.08 64.85 25.03 70.17 66.88 24.01 69.62 65.86 2 0 15.33 -999 ? O1 SO4 A 202 >LEU~B 122 28.84 69.76 65.11 30.35 70.01 66.77 29.60 69.88 65.94 3 0 15.25 -999 ? O3 SO4 A 202 >GLY~B 123 30.62 72.38 61.94 29.87 72.60 62.14 30.25 72.49 62.04 1 0 19.23 -999 ? O3 SO4 A 202 >PHE~B 124 25.79 75.62 59.71 24.27 77.87 58.95 25.03 76.74 59.33 3 0 24.20 -999 ? O3 SO4 A 202 >GLU~B 125 25.66 74.86 65.86 25.35 74.07 67.81 25.51 74.46 66.83 2 0 18.64 -999 ? O1 SO4 A 202 >LEU~B 126 32.25 75.74 64.59 32.48 74.40 66.35 32.36 75.07 65.47 3 0 20.77 -999 ? O3 SO4 A 202 >LEU~B 127 30.41 77.86 59.92 30.76 78.29 57.81 30.58 78.07 58.86 3 0 25.63 -999 ? O3 SO4 A 202 >LYS~B 128 28.27 80.88 62.43 22.30 79.47 62.64 25.28 80.18 62.53 2 0 25.81 -999 ? O3 SO4 A 202 >LEU~B 129 30.77 81.06 66.44 29.28 80.69 67.93 30.03 80.88 67.18 3 0 25.50 -999 ? O1 SO4 A 202 >GLY.B 130 33.56 82.85 62.93 33.51 82.10 63.06 33.53 82.48 62.99 1 0 29.02 -999 ? O3 SO4 A 202 >TYR.B 131 35.55 78.64 65.19 35.81 79.07 67.95 35.68 78.86 66.57 3 0 25.02 -999 ? O3 SO4 A 202 >THR.B 132 36.38 79.17 59.09 36.88 81.29 58.61 36.63 80.23 58.85 2 0 29.93 -999 ? O3 SO4 A 202 >TYR^B 133 41.49 75.54 59.02 42.95 73.17 58.80 42.22 74.36 58.91 3 0 26.59 -999 ? O3 SO4 A 202 >PHE^B 134 35.50 73.68 59.69 33.78 75.49 60.92 34.64 74.59 60.31 3 0 22.81 -999 ? O3 SO4 A 202 >ARG^B 135 42.66 67.55 60.33 45.74 67.33 60.10 44.20 67.44 60.22 2 0 24.08 -999 ? O3 SO4 A 202 >ASP^B 136 36.56 65.84 59.41 35.45 64.10 60.00 36.00 64.97 59.70 2 0 15.79 -999 ? O3 SO4 A 202 >TRP^B 137 40.69 66.48 64.21 44.47 65.56 63.45 42.58 66.02 63.83 3 0 19.52 -999 ? O3 SO4 A 202 >PHE^B 138 37.65 60.49 59.63 38.49 61.34 57.08 38.07 60.91 58.36 3 0 17.05 -999 ? O3 SO4 A 202 >ILE.B 139 42.06 58.28 64.31 43.13 58.37 64.82 42.59 58.33 64.57 3 0 16.43 -999 ? O3 SO4 A 202 >PRO.B 140 40.45 53.59 62.93 39.73 54.97 64.57 40.09 54.28 63.75 3 0 14.34 -999 ? O3 SO4 A 202 >GLU.B 141 36.33 55.49 68.98 36.82 57.31 69.97 36.57 56.40 69.47 2 0 9.41 -999 ? O3 SO4 A 202 >GLY.B 142 40.07 50.75 68.82 40.60 51.45 68.99 40.33 51.10 68.90 1 0 13.26 -999 ? O2 SO4 A 202 >LEU.B 143 43.70 52.80 66.41 45.88 53.36 66.45 44.79 53.08 66.43 3 0 17.87 -999 ? O3 SO4 A 202 >MET?B 144 43.21 55.41 69.95 44.88 59.25 68.88 44.05 57.33 69.41 2 0 17.76 -999 ? O3 SO4 A 202 >GLU.B 145 39.53 54.85 73.67 38.77 54.62 75.66 39.15 54.74 74.66 2 0 11.53 -999 ? O2 SO4 A 202 >GLY.B 146 39.10 60.25 71.42 39.32 59.82 70.81 39.21 60.04 71.12 1 0 12.44 -999 ? O3 SO4 A 202 >GLY.B 147 39.80 60.63 67.69 39.08 60.49 67.84 39.44 60.56 67.77 1 0 13.54 -999 ? O3 SO4 A 202 >HIS^B 148 35.45 59.31 65.77 36.02 57.54 64.81 35.73 58.42 65.29 3 0 10.18 -999 ? O3 SO4 A 202 >LYS^B 149 36.63 65.39 66.60 38.35 64.79 71.59 37.49 65.09 69.10 2 0 14.20 -999 ? O3 SO4 A 202 >ILE^B 150 34.67 69.20 64.12 33.70 69.65 63.19 34.19 69.43 63.65 3 0 16.91 -999 ? O3 SO4 A 202 >GLN^B 151 41.45 71.61 64.66 43.41 70.84 64.20 42.43 71.22 64.43 2 0 22.94 -999 ? O3 SO4 A 202 >ALA^B 152 37.90 74.55 63.90 36.40 74.82 64.07 37.15 74.68 63.99 2 0 22.20 -999 ? O3 SO4 A 202 >GLU^B 153 41.95 76.58 64.23 43.60 75.67 63.38 42.78 76.12 63.81 2 0 26.74 -999 ? O3 SO4 A 202 >LYS.B 154 39.26 81.55 63.16 36.15 83.84 68.09 37.71 82.69 65.63 2 0 29.51 -999 ? O1 SO4 A 202 >PRO.B 155 38.92 84.19 59.69 40.53 82.89 60.63 39.72 83.54 60.16 3 0 32.28 -999 ? O3 SO4 A 202 >LYS.B 156 44.36 84.81 60.97 46.09 80.71 64.17 45.23 82.76 62.57 2 0 31.90 -999 ? O3 SO4 A 202 >THR~B 157 43.89 87.40 58.22 45.83 86.76 57.26 44.86 87.08 57.74 2 0 38.57 -999 ? O3 SO4 A 202 >GLU~B 158 40.00 90.84 56.37 38.13 89.85 56.88 39.06 90.35 56.63 2 0 38.46 -999 ? O3 SO4 A 202 >GLU~B 159 45.23 88.32 52.55 44.03 88.94 50.92 44.63 88.63 51.73 2 0 42.16 -999 ? O3 SO4 A 202 >ALA~B 160 43.26 83.29 55.00 43.86 82.96 56.35 43.56 83.12 55.68 2 0 34.96 -999 ? O3 SO4 A 202 >LYS~B 161 39.51 83.88 55.55 35.15 85.57 58.33 37.33 84.72 56.94 2 0 33.35 -999 ? O3 SO4 A 202 >LYS~B 162 38.93 84.36 51.82 38.74 86.67 46.77 38.83 85.51 49.30 2 0 40.82 -999 ? O3 SO4 A 202 >ARG~B 163 44.81 81.36 50.48 46.25 83.24 52.44 45.53 82.30 51.46 2 0 38.06 -999 ? O3 SO4 A 202 >HIS~B 164 40.10 79.54 55.96 41.76 79.82 57.21 40.93 79.68 56.59 3 0 30.98 -999 ? O3 SO4 A 202 >LEU~B 165 35.04 81.57 52.14 34.02 82.15 53.92 34.53 81.86 53.03 3 0 32.45 -999 ? O3 SO4 A 202 >GLU~B 166 38.51 79.72 46.39 40.42 80.50 45.60 39.47 80.11 45.99 2 0 37.66 -999 ? O3 SO4 A 202 >ASN~B 167 38.91 75.59 50.56 38.82 73.50 51.13 38.87 74.54 50.84 2 0 28.84 -999 ? O3 SO4 A 202 >LEU~B 168 33.88 76.44 52.38 32.25 75.72 53.70 33.07 76.08 53.04 3 0 27.64 -999 ? O3 SO4 A 202 >LYS~B 169 32.71 76.63 47.96 33.31 81.14 45.78 33.01 78.88 46.87 2 0 36.18 -999 ? O3 SO4 A 202 >LYS~B 170 34.73 73.90 46.10 39.38 77.31 44.17 37.06 75.60 45.14 2 0 36.28 -999 ? O3 SO4 A 202 >GLU~B 171 35.77 70.96 50.54 36.29 71.71 52.44 36.03 71.34 51.49 2 0 25.89 -999 ? O3 SO4 A 202 >PHE~B 172 28.24 73.72 48.58 25.51 74.08 47.97 26.87 73.90 48.27 3 0 29.00 -999 ? O3 SO4 A 202 >GLU~B 173 30.75 74.17 43.65 32.21 75.45 42.70 31.48 74.81 43.18 2 0 34.67 -999 ? O3 SO4 A 202 >GLU~B 174 34.52 68.57 44.75 36.24 69.13 45.90 35.38 68.85 45.32 2 0 29.58 -999 ? O3 SO4 A 202 >PHE~B 175 27.93 67.22 49.66 25.88 65.91 50.99 26.90 66.56 50.32 3 0 23.19 -999 ? O3 SO4 A 202 >ILE~B 176 26.25 69.68 44.55 25.60 70.87 44.08 25.92 70.27 44.31 3 0 30.28 -999 ? O3 SO4 A 202 >GLY~B 177 27.22 65.81 42.49 27.02 65.48 43.22 27.12 65.64 42.85 1 0 30.04 -999 ? O3 SO4 A 202 >LYS~B 178 28.35 63.07 44.84 30.12 60.20 49.06 29.24 61.64 46.95 2 0 22.29 -999 ? O3 SO4 A 202 >CYH~B 179 25.16 63.32 46.96 23.55 64.22 49.00 24.35 63.77 47.98 2 0 23.73 -999 ? O3 SO4 A 202 >GLU.B 180 23.75 58.72 45.34 24.40 56.66 45.78 24.07 57.69 45.56 2 0 25.16 -999 ? O3 SO4 A 202 >ASP~B 181 19.94 61.40 50.07 20.57 59.34 50.05 20.26 60.37 50.06 2 0 22.16 -999 ? O3 SO4 A 202 >GLU~B 182 17.08 65.86 45.60 17.24 67.92 45.70 17.16 66.89 45.65 2 0 29.77 -999 ? O3 SO4 A 202 >GLY~B 183 16.87 65.74 51.62 17.61 65.69 51.31 17.24 65.71 51.46 1 0 24.16 -999 ? O3 SO4 A 202 >LEU~B 184 21.56 64.71 52.49 23.42 64.57 53.73 22.49 64.64 53.11 3 0 20.47 -999 ? O3 SO4 A 202 >ILE~B 185 21.07 67.66 48.18 22.04 68.49 47.31 21.55 68.08 47.74 3 0 26.86 -999 ? O3 SO4 A 202 >LYS~B 186 18.51 70.65 50.65 13.50 70.19 50.83 16.01 70.42 50.74 2 0 28.44 -999 ? O3 SO4 A 202 >LYS~B 187 19.82 70.85 54.24 17.61 72.15 58.49 18.71 71.50 56.37 2 0 22.93 -999 ? O3 SO4 A 202 >VAL~B 188 23.41 71.47 53.12 25.09 69.97 52.73 24.25 70.72 52.93 3 0 23.62 -999 ? O3 SO4 A 202 >LYS~B 189 22.05 74.03 50.52 20.49 72.17 45.52 21.27 73.10 48.02 2 0 31.01 -999 ? O3 SO4 A 202 >GLU~B 190 18.75 75.33 55.34 16.92 74.31 55.84 17.84 74.82 55.59 2 0 26.23 -999 ? O3 SO4 A 202 >ARG~B 191 23.69 73.25 58.18 23.18 70.33 58.89 23.43 71.79 58.53 2 0 19.45 -999 ? O3 SO4 A 202 >TYR~B 192 26.96 76.96 50.61 29.08 78.16 49.24 28.02 77.56 49.92 3 0 30.29 -999 ? O3 SO4 A 202 >ASN~B 193 21.36 79.59 51.51 20.85 78.60 49.68 21.10 79.10 50.59 2 0 31.94 -999 ? O3 SO4 A 202 >PHE~B 194 23.27 81.37 57.82 23.57 83.07 60.05 23.42 82.22 58.93 3 0 29.47 -999 ? O3 SO4 A 202 >LEU~B 195 27.91 80.46 54.67 30.13 80.59 54.61 29.02 80.52 54.64 3 0 29.74 -999 ? O3 SO4 A 202 >GLU~B 196 26.38 81.68 49.80 28.44 81.81 49.25 27.41 81.74 49.53 2 0 33.93 -999 ? O3 SO4 A 202 >HIS.B 197 22.88 85.85 53.31 21.41 84.70 52.34 22.15 85.27 52.83 3 0 35.13 -999 ? O3 SO4 A 202 >VAL.C 2 69.01 43.27 79.50 67.15 42.71 78.47 68.08 42.99 78.98 3 0 6.90 -999 ? SE SE C 203 >LYS.C 3 69.61 45.74 82.35 73.16 41.71 82.04 71.39 43.73 82.19 2 0 8.46 -999 ? SE SE C 203 >TYR.C 4 65.45 47.38 86.14 63.96 46.08 88.15 64.70 46.73 87.14 3 0 3.35 -999 ? SE SE C 202s >GLU~C 5 70.98 45.19 88.60 71.84 43.31 88.11 71.41 44.25 88.35 2 0 6.72 -999 ? SE SE C 203 >GLU~C 6 74.51 49.19 84.13 75.31 48.73 82.25 74.91 48.96 83.19 2 0 11.16 -999 ? SE SE C 203 >LEU~C 7 68.62 51.83 84.28 68.23 52.35 82.20 68.42 52.09 83.24 3 0 8.85 -999 ? SE SE C 203 >LEU~C 8 68.05 50.39 89.30 65.97 50.12 89.74 67.01 50.26 89.52 3 0 7.65 -999 ? SE SE C 203 >LYS~C 9 72.23 51.69 90.29 77.60 49.65 90.82 74.91 50.67 90.55 2 0 14.25 -999 ? SE SE C 203 >THR~C 10 72.96 55.07 88.65 73.83 55.39 86.67 73.39 55.23 87.66 2 0 14.08 -999 ? SE SE C 203 >LEU~C 11 68.30 56.12 88.74 67.93 57.81 87.34 68.12 56.97 88.04 3 0 13.50 -999 ? SE SE C 203 >GLU~C 12 68.81 54.31 94.71 69.11 52.71 93.37 68.96 53.51 94.04 2 0 12.32 -999 ? SE SE C 203 >ASN.C 13 73.65 56.75 94.73 74.67 55.98 93.00 74.16 56.36 93.87 2 0 16.81 -999 ? SE SE C 203 >GLY.C 14 71.61 60.44 91.93 72.36 60.34 91.98 71.98 60.39 91.96 1 0 18.69 -999 ? SE SE C 203 >ILE.C 15 72.31 62.32 87.64 72.25 61.85 86.29 72.28 62.09 86.96 3 0 19.35 -999 ? SE SE C 203 >ASN.C 16 76.60 65.11 88.61 76.91 63.03 88.09 76.76 64.07 88.35 2 0 22.29 -999 ? SE SE C 203 >SER.C 17 74.58 68.63 87.89 72.21 68.41 88.46 73.40 68.52 88.17 2 0 25.50 -999 ? SE SE C 203 >GLU.C 18 75.21 74.69 87.87 76.61 76.21 88.39 75.91 75.45 88.13 2 0 34.19 -999 ? SE SE C 203 >GLU.C 19 70.36 74.19 87.03 71.88 74.28 85.56 71.12 74.24 86.29 2 0 30.90 -999 ? SE SE C 202 >GLY.C 20 70.54 70.44 91.90 70.96 70.14 91.18 70.75 70.29 91.54 1 0 27.71 -999 ? SE SE C 203 >GLU.C 21 72.53 65.55 93.58 72.83 63.61 94.35 72.68 64.58 93.96 2 0 22.75 -999 ? SE SE C 203 >ILE^C 22 68.83 64.22 88.50 68.70 64.44 87.24 68.77 64.33 87.87 3 0 20.68 -999 ? SE SE C 202 >ARG^C 23 67.67 63.11 95.41 68.96 62.56 98.15 68.31 62.84 96.78 2 0 22.79 -999 ? SE SE C 203 >LEU^C 24 65.00 57.16 91.86 64.27 55.58 90.55 64.63 56.37 91.20 3 0 13.38 -999 ? SE SE C 202 >VAL^C 25 61.24 58.96 93.57 60.36 61.01 93.83 60.80 59.99 93.70 3 0 17.85 -999 ? SE SE C 202 >ARG^C 26 55.14 57.29 93.11 56.15 60.09 93.95 55.65 58.69 93.53 2 0 19.26 -999 ? SE SE C 202 >LYS^C 27 59.18 53.15 90.14 63.51 48.60 91.14 61.35 50.88 90.64 2 0 7.34 -999 ? SE SE C 202 >SER.C 28 56.52 50.82 88.61 55.13 52.31 87.27 55.83 51.56 87.94 2 0 11.43 -999 ? SE SE C 202 >GLN.C 29 55.32 45.52 85.50 57.14 44.60 84.83 56.23 45.06 85.17 2 0 6.12 -999 ? SE SE C 202 >GLY.C 30 54.39 49.21 82.69 54.34 48.43 82.90 54.36 48.82 82.79 1 0 10.26 -999 ? SE SE C 202 >ARG.C 31 51.10 50.90 79.40 50.47 51.70 82.33 50.78 51.30 80.86 2 0 14.87 -999 ? SE SE C 202 >PHE.C 32 54.08 46.12 76.61 52.14 47.44 75.09 53.11 46.78 75.85 3 0 13.83 -999 ? SE SE C 202 >LYS.C 33 57.11 42.99 80.79 59.71 37.18 80.56 58.41 40.08 80.68 2 0 9.35 -999 ? SE SE C 202 >GLU.C 34 61.43 43.41 78.65 62.52 42.77 80.42 61.98 43.09 79.53 2 0 4.98 -999 ? SE SE C 202 >GLU^C 35 56.94 50.42 79.29 55.05 50.92 78.41 56.00 50.67 78.85 2 0 12.27 -999 ? SE SE C 202 >PHE^C 36 60.22 48.94 84.59 60.54 46.22 85.11 60.38 47.58 84.85 3 0 -4.14 -999 ? SE SE C 202s >ASN^C 37 56.76 54.95 84.96 55.84 55.26 83.07 56.30 55.11 84.02 2 0 13.13 -999 ? SE SE C 202 >PHE^C 38 63.02 54.72 86.04 64.15 52.15 85.71 63.58 53.43 85.88 3 0 8.88 -999 ? SE SE C 202 >ASP^C 39 58.67 59.34 89.50 56.88 58.71 88.59 57.77 59.02 89.05 2 0 15.89 -999 ? SE SE C 202 >LEU^C 40 63.49 61.94 87.76 64.64 60.40 86.66 64.06 61.17 87.21 3 0 16.73 -999 ? SE SE C 202 >SER^C 41 63.39 64.94 91.02 64.15 64.12 93.18 63.77 64.53 92.10 2 0 21.18 -999 ? SE SE C 202 >LEU^C 42 65.38 69.12 89.64 67.10 70.33 88.89 66.24 69.72 89.26 3 0 25.65 -999 ? SE SE C 202 >GLY.C 43 66.20 68.75 94.44 65.72 68.13 94.04 65.96 68.44 94.24 1 0 26.09 -999 ? SE SE C 202 >SER.C 44 62.96 67.90 96.28 63.66 68.23 98.58 63.31 68.07 97.43 2 0 27.26 -999 ? SE SE C 202 >LYS^C 45 60.75 68.98 93.36 61.82 75.17 92.37 61.29 72.08 92.86 2 0 31.48 -999 ? SE SE C 202 >PRO^C 46 57.57 66.06 92.44 59.57 66.71 91.58 58.57 66.39 92.01 3 0 23.36 -999 ? SE SE C 202 >LEU^C 47 62.62 66.47 87.42 64.04 67.30 85.92 63.33 66.89 86.67 3 0 22.34 -999 ? SE SE C 202 >LEU^C 48 61.44 64.85 84.39 62.96 64.57 83.11 62.20 64.71 83.75 3 0 20.17 -999 ? SE SE C 202 >THR^C 49 59.13 61.07 84.12 57.23 60.29 84.90 58.18 60.68 84.51 2 0 16.81 -999 ? SE SE C 202 >LEU^C 50 62.51 57.98 82.69 64.32 59.24 82.77 63.42 58.61 82.73 3 0 14.18 -999 ? SE SE C 202 >LYS^C 51 59.20 55.69 80.52 54.04 54.82 80.12 56.62 55.26 80.32 2 0 14.59 -999 ? SE SE C 202 >VAL^C 52 61.90 53.14 79.76 63.09 52.85 81.64 62.50 53.00 80.70 3 0 9.45 -999 ? SE SE C 202 >PHE^C 53 60.31 48.63 75.80 59.91 46.02 74.86 60.11 47.33 75.33 3 0 10.51 -999 ? SE SE C 202 >LEU.C 54 64.35 46.79 79.61 64.71 47.91 81.44 64.53 47.35 80.53 3 0 5.38 -999 ? SE SE C 202 >GLY.C 55 64.21 45.74 75.00 63.82 45.39 75.65 64.02 45.56 75.32 1 0 10.09 -999 ? SE SE C 202 >ARG.C 56 59.77 40.45 73.87 57.52 38.36 73.73 58.64 39.41 73.80 2 0 14.09 -999 ? SE SE C 202 >LYS.C 57 65.90 42.50 71.16 70.75 45.54 70.95 68.33 44.02 71.05 2 0 15.39 -999 ? SE SE C 203 >PRO.C 58 65.52 38.46 69.17 65.36 40.67 68.78 65.44 39.56 68.97 3 0 16.93 -999 ? SE SE C 202 >TYR.C 59 60.94 39.65 69.07 61.58 36.94 69.07 61.26 38.30 69.07 3 0 17.23 -999 ? SE SE C 202 >TRP.C 60 58.46 43.82 70.98 56.77 45.96 68.08 57.62 44.89 69.53 3 0 16.45 -999 ? SE SE C 202 >GLN.C 61 65.58 47.57 68.22 67.23 46.25 68.57 66.40 46.91 68.39 2 0 16.97 -999 ? SE SE C 202 >PRO.C 62 67.09 48.25 74.16 65.23 49.22 73.26 66.16 48.73 73.71 3 0 12.35 -999 ? SE SE C 202 >TRP^C 63 61.06 51.51 72.89 58.52 53.33 75.31 59.79 52.42 74.10 3 0 13.84 -999 ? SE SE C 202 >VAL^C 64 63.27 55.72 76.76 64.85 57.00 77.68 64.06 56.36 77.22 3 0 14.10 -999 ? SE SE C 202 >GLU^C 65 58.26 59.34 76.44 56.23 58.73 76.66 57.25 59.04 76.55 2 0 17.84 -999 ? SE SE C 202 >VAL^C 66 61.22 61.76 78.62 63.25 62.70 78.71 62.24 62.23 78.66 3 0 18.75 -999 ? SE SE C 202 >PHE^C 67 56.20 61.42 79.84 55.26 59.35 81.53 55.73 60.39 80.69 3 0 18.00 -999 ? SE SE C 202 >GLY.C 68 55.73 64.92 82.32 56.47 65.17 82.09 56.10 65.04 82.20 1 0 21.83 -999 ? SE SE C 202 >VAL.C 69 58.14 67.77 83.04 60.01 68.38 81.97 59.07 68.08 82.50 3 0 23.97 -999 ? SE SE C 202 >ASN.C 70 57.70 70.08 87.23 56.59 71.26 88.66 57.14 70.67 87.94 2 0 27.72 -999 ? SE SE C 202 >PRO.C 71 54.13 72.70 84.04 56.28 72.98 84.59 55.21 72.84 84.32 3 0 29.36 -999 ? SE SE C 202 >ASN.C 72 57.51 75.44 88.68 55.40 75.79 88.90 56.46 75.62 88.79 2 0 32.40 -999 ? SE SE C 202 >LEU~C 73 61.83 72.75 86.58 62.19 72.01 88.68 62.01 72.38 87.63 3 0 27.93 -999 ? SE SE C 202 >ARG~C 74 58.06 76.96 81.81 55.51 78.47 80.93 56.78 77.72 81.37 2 0 34.98 -999 ? SE SE C 202 >ASN~C 75 62.95 79.32 82.43 64.38 80.78 81.73 63.66 80.05 82.08 2 0 36.34 -999 ? SE SE C 202 >VAL~C 76 65.85 76.25 84.61 65.95 76.35 86.84 65.90 76.30 85.72 3 0 31.81 -999 ? SE SE C 202 >PHE~C 77 65.35 70.33 82.70 65.89 67.82 81.58 65.62 69.08 82.14 3 0 24.75 -999 ? SE SE C 202 >PHE~C 78 63.57 72.54 78.48 61.73 70.43 78.53 62.65 71.48 78.50 3 0 27.65 -999 ? SE SE C 202 >GLY.C 79 69.18 74.98 78.47 69.17 74.32 79.01 69.18 74.65 78.74 1 0 31.62 -999 ? SE SE C 202 >SER~C 80 70.86 73.56 81.59 69.80 71.95 83.10 70.33 72.76 82.34 2 0 28.17 -999 ? SE SE C 202 >GLU~C 81 75.22 71.31 84.45 77.11 70.41 84.84 76.16 70.86 84.64 2 0 28.81 -999 ? SE SE C 203 >ALA~C 82 71.21 68.88 84.29 70.24 69.33 85.37 70.73 69.10 84.83 2 0 25.69 -999 ? SE SE C 202 >GLU~C 83 67.97 68.93 78.90 67.61 70.23 77.24 67.79 69.58 78.07 2 0 27.12 -999 ? SE SE C 202 >ARG~C 84 74.98 70.15 77.68 76.19 72.18 79.68 75.58 71.17 78.68 2 0 30.65 -999 ? SE SE C 203 >LYS~C 85 73.77 65.07 82.17 79.01 64.92 83.18 76.39 65.00 82.68 2 0 24.93 -999 ? SE SE C 203 >LEU~C 86 69.04 63.79 82.28 67.23 62.63 82.47 68.14 63.21 82.37 3 0 19.41 -999 ? SE SE C 202 >TYR~C 87 69.35 64.87 76.97 67.04 66.45 76.84 68.19 65.66 76.91 3 0 23.08 -999 ? SE SE C 202 >GLU~C 88 76.57 62.94 78.77 77.47 64.41 79.99 77.02 63.67 79.38 2 0 24.21 -999 ? SE SE C 203 >PHE~C 89 71.87 58.46 82.80 70.15 56.50 83.87 71.01 57.48 83.34 3 0 14.68 -999 ? SE SE C 203 >LEU~C 90 69.04 58.71 78.35 67.30 58.86 79.64 68.17 58.79 78.99 3 0 16.15 -999 ? SE SE C 202 >SER~C 91 72.53 58.03 75.53 74.40 59.55 75.81 73.46 58.79 75.67 2 0 20.27 -999 ? SE SE C 203 >GLU~C 92 76.74 56.24 78.24 77.24 57.56 79.81 76.99 56.90 79.02 2 0 18.69 -999 ? SE SE C 203 >HIS.C 93 72.30 52.56 79.93 73.86 52.36 81.31 73.08 52.46 80.62 3 0 12.23 -999 ? SE SE C 203 >PHE.C 94 67.41 53.89 76.57 66.39 52.86 78.96 66.90 53.38 77.76 3 0 11.92 -999 ? SE SE C 202 >GLY.C 95 69.59 53.70 70.93 68.93 53.89 71.32 69.26 53.79 71.13 1 0 17.88 -999 ? SE SE C 203 >ARG^C 96 62.71 54.86 69.51 61.30 52.30 68.60 62.01 53.58 69.06 2 0 18.20 -999 ? SE SE C 202 >ILE^C 97 66.09 59.37 73.14 66.72 60.61 73.54 66.41 59.99 73.34 3 0 19.54 -999 ? SE SE C 202 >PHE^C 98 60.07 58.79 72.01 59.42 56.87 70.05 59.74 57.83 71.03 3 0 19.54 -999 ? SE SE C 202 >VAL^C 99 61.62 63.96 74.43 63.54 64.82 75.25 62.58 64.39 74.84 3 0 22.24 -999 ? SE SE C 202 >GLU^C 100 56.18 66.70 75.89 54.74 65.95 77.27 55.46 66.32 76.58 2 0 24.24 -999 ? SE SE C 202 >TYR.C 101 59.04 69.63 71.16 57.15 69.55 69.07 58.09 69.59 70.11 3 0 29.53 -999 ? SE SE C 202 >PHE.C 102 53.72 71.50 74.98 51.47 73.17 74.70 52.60 72.34 74.84 3 0 30.32 -999 ? O1 SO4 A 202 >GLU.C 103 56.56 71.99 79.86 55.23 73.62 80.26 55.89 72.80 80.06 2 0 30.47 -999 ? SE SE C 202 >ASP~C 104 61.72 72.89 75.30 63.52 73.61 74.42 62.62 73.25 74.86 2 0 30.87 -999 ? SE SE C 202 >LYS~C 105 59.89 77.35 74.28 61.73 81.12 78.95 60.81 79.24 76.62 2 0 37.04 -999 ? SE SE C 202 >GLU~C 106 65.23 78.55 71.55 67.31 78.55 71.95 66.27 78.55 71.75 2 0 36.58 -999 ? SE SE C 202 >THR~C 107 62.73 74.00 70.48 63.29 72.01 71.14 63.01 73.01 70.81 2 0 30.70 -999 ? SE SE C 202 >THR~C 108 59.01 74.73 69.93 57.26 74.95 71.21 58.13 74.84 70.57 2 0 33.85 -999 ? SE SE C 202 >TYR~C 109 60.56 80.46 68.02 61.40 82.52 66.34 60.98 81.49 67.18 3 0 41.02 -999 ? SE SE C 202 >GLU~C 110 64.64 77.24 66.99 66.07 76.40 68.31 65.36 76.82 67.65 2 0 36.01 -999 ? SE SE C 202 >LEU~C 111 59.89 72.47 65.86 60.99 70.60 66.32 60.44 71.54 66.09 3 0 33.02 -999 ? SE SE C 202 >GLN~C 112 55.44 77.25 64.72 54.63 78.52 66.26 55.04 77.89 65.49 2 0 35.75 -999 ? O3 SO4 A 202 >LYS~C 113 59.85 77.95 61.89 58.79 82.69 63.21 59.32 80.32 62.55 2 0 42.02 -999 ? O3 SO4 A 202 >GLY.C 114 60.71 74.92 59.74 61.22 75.13 60.37 60.96 75.02 60.06 1 0 39.52 -999 ? SE SE C 202 >VAL.C 115 63.97 74.09 61.49 65.22 75.22 62.96 64.59 74.66 62.23 3 0 37.72 -999 ? SE SE C 202 >PRO~C 116 66.59 71.34 59.53 64.97 71.12 61.10 65.78 71.23 60.31 3 0 36.38 -999 ? SE SE C 202 >PRO~C 117 63.07 67.14 63.30 64.58 68.74 63.80 63.83 67.94 63.55 3 0 31.69 -999 ? SE SE C 202 >ALA~C 118 68.38 67.71 64.74 69.09 66.90 63.67 68.74 67.30 64.21 2 0 31.39 -999 ? SE SE C 202 >LEU~C 119 69.59 71.93 63.10 71.32 71.35 61.77 70.45 71.64 62.44 3 0 35.93 -999 ? SE SE C 202 >SER~C 120 66.75 72.59 67.03 65.21 70.86 67.94 65.98 71.73 67.49 2 0 31.36 -999 ? SE SE C 202 >ARG~C 121 68.09 74.56 73.77 67.20 72.21 75.53 67.65 73.38 74.65 2 0 29.44 -999 ? SE SE C 202 >LEU~C 122 65.27 69.78 72.41 64.30 68.18 73.54 64.79 68.98 72.97 3 0 27.21 -999 ? SE SE C 202 >GLY~C 123 67.48 67.93 69.01 67.98 68.45 69.39 67.73 68.19 69.20 1 0 28.58 -999 ? SE SE C 202 >PHE~C 124 72.60 71.21 67.97 75.10 71.76 66.85 73.85 71.48 67.41 3 0 33.81 -999 ? SE SE C 202 >GLU~C 125 70.80 70.19 73.68 72.75 71.13 73.68 71.78 70.66 73.68 2 0 30.35 -999 ? SE SE C 202 >LEU~C 126 69.28 64.43 70.65 67.87 64.23 72.34 68.58 64.33 71.49 3 0 24.48 -999 ? SE SE C 202 >LEU~C 127 72.75 66.20 66.82 73.98 66.70 65.09 73.36 66.45 65.95 3 0 30.68 -999 ? SE SE C 202 >LYS~C 128 75.95 65.55 70.07 75.82 70.46 70.13 75.88 68.00 70.10 2 0 32.22 -999 ? SE SE C 203 >LEU.C 129 74.37 62.14 72.96 74.89 63.48 74.68 74.63 62.81 73.82 3 0 23.86 -999 ? SE SE C 203 >GLY.C 130 75.32 60.17 68.65 74.65 60.54 68.81 74.98 60.35 68.73 1 0 25.22 -999 ? SE SE C 203 >TYR.C 131 70.28 59.96 69.91 70.09 58.58 72.35 70.19 59.27 71.13 3 0 21.32 -999 ? SE SE C 202 >THR.C 132 71.41 60.76 63.97 72.79 59.69 62.62 72.10 60.23 63.30 2 0 28.58 -999 ? SE SE C 203 >TYR^C 133 65.93 58.28 62.22 63.19 58.26 61.57 64.56 58.27 61.89 3 0 26.86 -999 ? SE SE C 202 >PHE^C 134 66.91 64.08 64.81 69.08 64.33 66.53 67.99 64.21 65.67 3 0 27.92 -999 ? SE SE C 202 >ARG^C 135 59.33 59.79 62.54 56.41 60.58 61.94 57.87 60.19 62.24 2 0 28.86 -999 ? SE SE C 202 >ASP^C 136 59.67 67.13 64.37 58.21 68.59 65.01 58.94 67.86 64.69 2 0 31.62 -999 ? SE SE C 202 >TRP^C 137 57.56 61.93 67.16 55.39 59.49 64.97 56.47 60.71 66.06 3 0 25.76 -999 ? SE SE C 202 >PHE^C 138 54.09 68.75 64.08 54.44 68.28 61.32 54.27 68.52 62.70 3 0 30.71 -999 ? O3 SO4 A 202 >ILE.C 139 49.78 64.84 67.42 49.61 63.57 67.22 49.70 64.20 67.32 3 0 23.96 -999 ? O3 SO4 A 202 >PRO.C 140 46.53 68.90 66.34 47.79 68.37 68.14 47.16 68.63 67.24 3 0 23.78 -999 ? O3 SO4 A 202 >GLU.C 141 48.85 69.17 73.42 50.04 67.53 74.04 49.44 68.35 73.73 2 0 25.65 -999 ? O3 SO4 A 202 >GLY.C 142 43.13 68.59 71.52 43.65 67.98 71.26 43.39 68.29 71.39 1 0 20.30 -999 ? O3 SO4 A 202 >LEU.C 143 44.10 65.35 68.11 43.38 63.47 67.18 43.74 64.41 67.65 3 0 18.66 -999 ? O3 SO4 A 202 >MET?C 144 45.73 63.45 71.61 48.32 60.57 70.02 47.03 62.01 70.81 2 0 21.32 -999 ? O3 SO4 A 202 >GLU.C 145 46.10 65.05 76.19 45.60 65.41 78.21 45.85 65.23 77.20 2 0 21.43 -999 ? O1 SO4 A 202 >GLY.C 146 51.66 63.76 74.39 51.17 63.88 73.77 51.42 63.82 74.08 1 0 24.78 -999 ? SE SE C 202 >GLY.C 147 52.09 64.25 70.64 52.30 64.86 71.08 52.19 64.55 70.86 1 0 25.98 -999 ? O3 SO4 A 202 >HIS^C 148 53.17 69.14 70.80 51.58 70.08 69.79 52.37 69.61 70.30 3 0 28.48 -999 ? O3 SO4 A 202 >LYS^C 149 57.92 65.08 70.82 54.98 61.36 74.64 56.45 63.22 72.73 2 0 21.36 -999 ? SE SE C 202 >ILE^C 150 62.41 65.49 69.13 63.32 66.47 68.68 62.87 65.98 68.90 3 0 26.75 -999 ? SE SE C 202 >GLN^C 151 61.65 58.61 67.35 60.30 57.35 66.32 60.97 57.98 66.84 2 0 22.79 -999 ? SE SE C 202 >ALA^C 152 65.84 60.44 67.92 66.63 61.50 68.68 66.24 60.97 68.30 2 0 23.71 -999 ? SE SE C 202 >GLU^C 153 66.27 55.38 66.25 64.24 55.41 65.57 65.26 55.39 65.91 2 0 22.23 -999 ? SE SE C 202 >LYS.C 154 71.31 56.04 66.82 73.83 57.39 71.68 72.57 56.72 69.25 2 0 20.86 -999 ? SE SE C 203 >PRO.C 155 74.39 56.03 63.95 72.38 55.04 64.04 73.38 55.54 63.99 3 0 25.52 -999 ? SE SE C 203 >LYS.C 156 72.27 50.85 63.34 69.51 53.34 61.78 70.89 52.09 62.56 2 0 25.57 -999 ? SE SE C 202 >THR~C 157 75.34 50.91 61.09 75.10 49.58 59.38 75.22 50.24 60.23 2 0 28.23 -999 ? SE SE C 203 >GLU~C 158 80.39 54.05 59.05 80.48 55.49 60.63 80.44 54.77 59.84 2 0 31.06 -999 ? SE SE C 203 >GLU~C 159 77.15 51.68 54.74 77.51 49.67 54.84 77.33 50.68 54.79 2 0 33.25 -999 ? SE SE C 203 >ALA~C 160 72.79 54.20 58.10 72.10 53.41 59.18 72.44 53.80 58.64 2 0 28.60 -999 ? SE SE C 203 >LYS~C 161 74.69 57.14 59.70 79.52 59.41 62.90 77.10 58.28 61.30 2 0 30.60 -999 ? SE SE C 203 >LYS~C 162 75.96 58.32 56.32 81.06 58.41 56.58 78.51 58.37 56.45 2 0 35.71 -999 ? SE SE C 203 >ARG~C 163 69.42 56.06 54.13 70.20 53.54 55.69 69.81 54.80 54.91 2 0 31.40 -999 ? SE SE C 202 >HIS~C 164 70.28 58.39 59.71 69.57 56.48 60.23 69.93 57.43 59.97 3 0 28.89 -999 ? SE SE C 202 >LEU~C 165 75.17 62.59 58.00 75.81 62.86 60.08 75.49 62.73 59.04 3 0 33.81 -999 ? SE SE C 203 >GLU~C 166 74.53 61.70 52.44 74.74 59.70 51.58 74.63 60.70 52.01 2 0 38.39 -999 ? SE SE C 203 >ASN~C 167 68.28 62.90 55.52 67.49 61.47 54.20 67.89 62.19 54.86 2 0 35.36 -999 ? SE SE C 202 >LEU~C 168 71.21 66.15 58.65 71.14 67.58 60.31 71.17 66.87 59.48 3 0 34.76 -999 ? SE SE C 202 >LYS~C 169 72.49 68.29 54.86 76.22 69.82 50.75 74.35 69.05 52.81 2 0 44.44 -999 ? SE SE C 202 >LYS~C 170 69.42 68.36 52.56 66.95 64.73 48.33 68.18 66.55 50.45 2 0 41.97 -999 ? SE SE C 202 >GLU~C 171 66.17 67.42 56.35 66.10 66.25 58.10 66.14 66.83 57.22 2 0 34.63 -999 ? SE SE C 202 >PHE~C 172 71.98 73.15 56.86 73.46 75.48 57.38 72.72 74.32 57.12 3 0 41.81 -999 ? SE SE C 202 >GLU~C 173 71.67 73.27 51.18 73.16 71.81 51.57 72.42 72.54 51.37 2 0 44.21 -999 ? SE SE C 202 >GLU~C 174 65.47 70.87 51.15 64.72 68.88 51.49 65.09 69.87 51.32 2 0 41.39 -999 ? SE SE C 202 >PHE.C 175 65.81 76.07 57.69 65.47 77.99 59.71 65.64 77.03 58.70 3 0 41.81 -999 ? SE SE C 202 >ILE.C 176 69.43 78.51 54.10 70.04 78.75 55.43 69.74 78.63 54.76 3 0 45.96 -999 ? SE SE C 202 >GLY.C 177 65.46 78.71 51.19 65.27 78.94 51.96 65.37 78.83 51.58 1 0 48.06 -999 ? SE SE C 202 >GLU.C 182 63.00 84.30 60.99 63.72 84.91 62.89 63.36 84.61 61.94 2 0 45.96 -999 ? SE SE C 202 >GLY.C 183 67.68 85.93 61.17 67.33 85.21 61.38 67.50 85.57 61.27 1 0 47.89 -999 ? SE SE C 202 >LEU~C 184 66.72 82.21 64.17 66.48 83.23 66.21 66.60 82.72 65.19 3 0 43.07 -999 ? SE SE C 202 >ILE~C 185 69.26 82.06 58.71 68.61 81.83 58.19 68.94 81.94 58.45 3 0 46.15 -999 ? SE SE C 202 >LYS~C 186 72.78 82.24 61.62 72.48 85.26 66.29 72.63 83.75 63.96 2 0 45.68 -999 ? SE SE C 202 >LYS~C 187 71.81 80.17 64.72 69.58 80.35 69.64 70.69 80.26 67.18 2 0 39.40 -999 ? SE SE C 202 >VAL~C 188 70.97 77.10 62.64 69.11 76.30 61.77 70.04 76.70 62.21 3 0 39.93 -999 ? SE SE C 202 >LYS~C 189 74.10 77.83 60.47 75.00 80.22 55.27 74.55 79.02 57.87 2 0 47.84 -999 ? SE SE C 202 >GLU~C 190 77.56 80.04 64.06 78.69 81.08 65.58 78.12 80.56 64.82 2 0 44.05 -999 ? SE SE C 203 >ARG~C 191 71.39 74.97 66.70 69.03 76.00 68.31 70.21 75.49 67.51 2 0 36.01 -999 ? SE SE C 202 >TYR~C 192 74.84 71.97 59.16 75.25 70.14 57.08 75.04 71.06 58.12 3 0 39.50 -999 ? SE SE C 202 >ASN~C 193 79.64 74.94 61.66 78.80 76.29 60.24 79.22 75.62 60.95 2 0 43.02 -999 ? SE SE C 203 >PHE.C 194 79.56 68.81 61.41 80.58 68.37 58.81 80.07 68.59 60.11 3 0 38.12 -999 ? SE SE C 203