REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-DEC-08 3FJV COMPND UNCHARACTERIZED NOVEL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI K96243; SOURCE 3 ORGANISM_COMMON: PSEUDOMONAS PSEUDOMALLEI; SOURCE 4 ORGANISM_TAXID: 272560; SOURCE 5 GENE: BPSS1837, YP_111841.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 57 8 HET MSE A 154 8 HET MSE B 57 13 HET MSE B 154 8 HET GOL B 194 6 HET GOL B 195 6 HET CL B 196 1 SITE 1 AC1 7 HOH A 363 TYR B 94 ARG B 106 HIS B 172 SITE 1 AC2 7 ARG A 101 LEU B 43 GLU B 45 THR B 49 SITE 1 AC3 2 ASP B 46 GLU B 47 >MET?A 1 20.41 76.39 1.32 19.62 75.21 4.93 20.02 75.80 3.12 2 0 21.24 -999 ? C3 GOL B 194 >LEU.A 3 20.04 80.89 6.73 18.17 79.86 6.94 19.10 80.37 6.84 3 0 18.01 -999 ? C3 GOL B 194 >THR~A 4 21.62 84.98 5.72 21.49 85.46 3.61 21.55 85.22 4.66 2 0 19.93 -999 ? O1 GOL B 194 >ARG~A 5 22.26 90.31 9.97 24.74 91.28 8.39 23.50 90.79 9.18 2 0 15.57 -999 ? O1 GOL B 194 >ASP~A 6 18.27 88.91 3.39 19.40 90.65 3.46 18.84 89.78 3.42 2 0 21.06 -999 ? O1 GOL B 194 >SER~A 7 16.45 84.96 5.06 18.39 83.79 4.20 17.42 84.37 4.63 2 0 20.37 -999 ? C3 GOL B 194 >LEU~A 8 15.95 86.05 9.62 17.32 84.59 10.42 16.63 85.32 10.02 3 0 15.73 -999 ? C3 GOL B 194 >LEU.A 9 10.55 86.90 9.98 9.12 86.09 8.55 9.83 86.50 9.26 3 0 20.36 -999 ? O3 GOL B 194 >THR~A 10 12.09 90.58 11.83 11.18 92.23 10.82 11.63 91.40 11.32 2 0 19.86 -999 ? O1 GOL B 194 >LEU~A 11 11.49 90.90 16.67 13.25 90.32 17.91 12.37 90.61 17.29 3 0 14.65 -999 ? O3 GOL B 194 >GLU~A 12 6.25 93.68 13.55 6.14 95.63 12.80 6.20 94.66 13.18 2 0 23.80 -999 ? O3 GOL B 194 >ALA~A 13 6.97 89.72 11.50 7.73 89.79 10.17 7.35 89.76 10.84 2 0 21.85 -999 ? O3 GOL B 194 >TYR~A 14 9.16 84.51 14.32 8.96 81.87 15.17 9.06 83.19 14.74 3 0 17.09 -999 ? O3 GOL B 194 >ALA~A 15 5.73 87.20 16.34 5.82 88.45 17.35 5.77 87.82 16.85 2 0 19.30 -999 ? O3 GOL B 194 >LYS~A 16 2.76 87.64 13.98 2.51 93.36 13.69 2.64 90.50 13.84 2 0 25.18 -999 ? O3 GOL B 194 >VAL~A 17 3.24 84.10 12.59 4.30 84.42 10.62 3.77 84.26 11.60 3 0 23.23 -999 ? O3 GOL B 194 >ARG~A 18 6.56 82.84 19.03 7.47 81.88 21.79 7.02 82.36 20.41 2 0 15.99 -999 ? O3 GOL B 194 >ARG~A 19 -1.08 80.51 19.16 -2.27 77.63 18.49 -1.67 79.07 18.82 2 0 26.79 -999 ? O3 GOL B 194 >GLN~A 20 0.63 79.53 10.61 -0.12 81.03 9.26 0.25 80.28 9.93 2 0 27.89 -999 ? O3 GOL B 194 >GLU~A 21 6.19 80.41 11.69 6.58 79.57 9.80 6.38 79.99 10.75 2 0 22.47 -999 ? O3 GOL B 194 >HIS~A 22 5.16 77.37 18.16 6.10 78.77 19.44 5.63 78.07 18.80 3 0 19.23 -999 ? O3 GOL B 194 >ALA~A 23 2.47 73.93 14.16 0.96 74.27 14.01 1.72 74.10 14.08 2 0 26.25 -999 ? O3 GOL B 194 >ARG~A 24 4.88 76.23 7.61 7.90 76.78 7.40 6.39 76.51 7.51 2 0 23.86 -999 ? O3 GOL B 194 >VAL~A 25 7.41 72.97 11.97 9.17 74.21 12.55 8.29 73.59 12.26 3 0 21.69 -999 ? O3 GOL B 194 >ILE~A 26 4.85 70.34 15.28 4.23 70.11 16.61 4.54 70.23 15.94 3 0 24.48 -999 ? O3 GOL B 194 >ALA~A 27 4.32 68.76 11.12 3.27 69.47 10.25 3.80 69.12 10.68 2 0 28.25 -999 ? O3 GOL B 194 >HIS~A 28 9.55 70.13 7.94 11.09 69.78 6.54 10.32 69.95 7.24 3 0 25.46 -999 ? O3 GOL B 194 >LYS~A 29 9.58 67.32 11.84 11.71 70.95 16.55 10.65 69.13 14.20 2 0 18.84 -999 ? O3 GOL B 194 >LYS~A 30 7.54 64.14 11.34 1.67 65.35 13.45 4.61 64.74 12.39 2 0 30.29 -999 ? O3 GOL B 194 >ARG.A 31 7.86 64.55 5.04 9.29 63.69 2.46 8.58 64.12 3.75 2 0 32.77 -999 ? O3 GOL B 194 >ARG.A 32 13.51 66.44 7.78 16.30 66.63 6.47 14.90 66.53 7.12 2 0 25.69 -999 ? O3 GOL B 194 >ALA^A 33 12.89 62.79 13.55 11.92 63.28 14.58 12.41 63.03 14.06 2 0 25.29 -999 ? O3 GOL B 194 >VAL^A 34 14.10 59.33 14.63 15.55 58.85 13.02 14.83 59.09 13.83 3 0 28.05 -999 ? O3 GOL B 194 >SER^A 35 14.31 57.68 18.06 12.36 58.37 19.11 13.33 58.03 18.58 2 0 28.03 -999 ? O3 GOL B 194 >ILE^A 36 18.63 55.84 18.77 19.92 55.86 17.99 19.27 55.85 18.38 3 0 28.22 -999 ? O2 GOL B 195 >GLY.A 37 15.98 53.23 21.93 15.68 53.96 21.61 15.83 53.59 21.77 1 0 27.85 -999 ? O2 GOL B 195 >ASN.A 38 13.58 54.09 26.00 12.33 52.43 25.56 12.96 53.26 25.78 2 0 27.33 -999 ? O3 GOL B 195 >HIS.A 39 16.54 56.60 27.93 15.40 55.66 29.41 15.97 56.13 28.67 3 0 21.45 -999 ? O3 GOL B 195 >LEU^A 40 19.21 58.35 21.84 21.06 58.09 22.91 20.13 58.22 22.38 3 0 23.52 -999 ? O2 GOL B 195 >ARG^A 41 13.42 60.53 20.88 12.92 58.07 22.74 13.17 59.30 21.81 2 0 25.76 -999 ? O3 GOL B 195 >LEU^A 42 18.57 61.65 15.62 20.65 61.21 15.40 19.61 61.43 15.51 3 0 24.24 -999 ? O3 GOL B 194 >LEU^A 43 15.82 66.69 15.16 14.19 67.89 14.37 15.01 67.29 14.77 3 0 20.69 -999 ? O3 GOL B 194 >PHE^A 44 18.37 63.35 10.26 19.82 61.02 10.90 19.10 62.19 10.58 3 0 25.89 -999 ? O3 GOL B 194 >GLU.A 45 19.30 69.81 12.69 17.88 70.82 13.95 18.59 70.31 13.32 2 0 17.41 -999 ? O3 GOL B 194 >ASP~A 46 16.21 70.46 6.40 14.17 70.49 7.11 15.19 70.47 6.75 2 0 23.54 -999 ? O3 GOL B 194 >GLU~A 47 15.72 76.88 4.78 15.12 77.65 2.93 15.42 77.27 3.85 2 0 23.58 -999 ? C3 GOL B 194 >THR~A 48 12.83 74.58 7.96 10.94 73.80 7.33 11.89 74.19 7.64 2 0 23.21 -999 ? O3 GOL B 194 >THR~A 49 14.10 73.24 11.29 14.78 71.15 11.09 14.44 72.19 11.19 2 0 20.12 -999 ? O3 GOL B 194 >ILE~A 50 18.39 75.51 10.52 19.76 75.15 10.30 19.07 75.33 10.41 3 0 16.71 -999 ? C3 GOL B 194 >ARG~A 51 13.79 80.45 7.19 11.22 82.12 6.89 12.50 81.28 7.04 2 0 21.25 -999 ? O3 GOL B 194 >TYR~A 52 11.02 76.65 14.43 9.40 76.40 16.71 10.21 76.52 15.57 3 0 17.23 -999 ? O3 GOL B 194 >GLN~A 53 15.87 75.20 16.27 17.33 73.69 16.05 16.60 74.44 16.16 2 0 14.28 -999 ? O3 GOL B 194 >ILE~A 54 17.64 81.31 13.51 18.68 81.61 12.69 18.16 81.46 13.10 3 0 12.51 -999 ? C3 GOL B 194 >HIS~A 55 12.43 82.83 12.51 12.26 83.45 10.51 12.34 83.14 11.51 3 0 16.83 -999 ? O3 GOL B 194 >GLU~A 56 11.25 79.07 18.08 9.70 79.97 19.18 10.48 79.52 18.63 2 0 14.90 -999 ? O3 GOL B 194 >MET?A 57 16.12 82.25 19.71 18.99 81.64 21.80 17.55 81.95 20.75 2 0 5.32 -999 ? O3 GOL B 194 >LEU~A 58 15.77 86.20 16.90 17.53 86.29 15.57 16.65 86.25 16.23 3 0 10.75 -999 ? O3 GOL B 194 >HIS~A 59 9.72 85.39 19.90 7.89 85.99 20.72 8.80 85.69 20.31 3 0 15.05 -999 ? O3 GOL B 194 >ILE~A 60 13.19 83.31 23.56 12.91 82.03 24.14 13.05 82.67 23.85 3 0 10.16 -999 ? O3 GOL B 194 >GLU~A 61 17.82 84.86 23.60 17.94 84.78 25.70 17.88 84.82 24.65 2 0 5.47 -999 ? O3 GOL B 194 >LYS~A 62 14.55 89.80 21.73 9.98 90.39 24.50 12.26 90.09 23.12 2 0 14.77 -999 ? O3 GOL B 194 >ILE.A 63 18.58 88.94 19.27 19.76 88.22 19.48 19.17 88.58 19.38 3 0 7.78 -999 ? O1 GOL B 194 >PHE.A 64 16.13 94.56 17.78 16.21 96.49 19.82 16.17 95.52 18.80 3 0 13.90 -999 ? O1 GOL B 194 >ASP~A 65 21.62 94.68 17.25 22.52 93.07 18.26 22.07 93.88 17.76 2 0 8.91 -999 ? O1 GOL B 194 >GLU~A 66 23.94 93.64 10.91 24.92 95.25 9.90 24.43 94.44 10.40 2 0 15.99 -999 ? O1 GOL B 194 >ASP~A 67 26.84 92.39 15.88 28.12 93.68 14.79 27.48 93.04 15.34 2 0 11.43 -999 ? O1 GOL B 194 >GLY~A 68 23.46 89.78 17.38 23.42 89.78 16.57 23.44 89.78 16.98 1 0 7.05 -999 ? O1 GOL B 194 >ILE~A 69 20.56 89.10 13.47 19.47 89.57 12.87 20.02 89.34 13.17 3 0 11.80 -999 ? O1 GOL B 194 >GLN~A 70 26.67 87.48 11.23 25.66 86.57 9.59 26.16 87.02 10.41 2 0 13.52 -999 ? O1 GOL B 194 >ALA~A 71 25.89 85.64 15.91 26.14 86.35 17.26 26.02 85.99 16.59 2 0 5.87 -999 ? O1 GOL B 194 >GLU~A 72 21.12 84.51 17.66 21.99 83.61 19.38 21.55 84.06 18.52 2 0 4.90 -999 ? C3 GOL B 194 >LEU~A 73 23.18 83.51 11.19 21.62 84.10 9.74 22.40 83.81 10.46 3 0 13.26 -999 ? O1 GOL B 194 >ASP~A 74 27.88 82.53 13.28 28.24 83.99 11.79 28.06 83.26 12.53 2 0 11.83 -999 ? O1 GOL B 194 >ALA~A 75 25.93 79.61 16.12 25.24 80.13 17.37 25.58 79.87 16.74 2 0 7.48 -999 ? C3 GOL B 194 >TYR~A 76 21.20 77.84 15.43 19.81 77.87 17.84 20.51 77.85 16.63 3 0 10.08 -999 ? O3 GOL B 194 >LEU~A 77 26.90 77.78 10.77 27.76 78.11 8.78 27.33 77.94 9.77 3 0 15.48 -999 ? C3 GOL B 194 >PRO~A 78 27.57 74.69 14.32 26.69 74.29 12.28 27.13 74.49 13.30 3 0 14.38 -999 ? C3 GOL B 194 >LEU~A 79 22.07 72.57 12.43 21.86 72.12 14.54 21.97 72.34 13.48 3 0 15.68 -999 ? C3 GOL B 194 >VAL~A 80 23.33 73.22 7.91 23.21 75.22 7.08 23.27 74.22 7.49 3 0 18.95 -999 ? C3 GOL B 194 >PRO.A 81 21.43 69.97 5.55 23.47 70.76 5.96 22.45 70.36 5.75 3 0 22.62 -999 ? C3 GOL B 194 >ASP.A 82 27.75 71.20 3.39 28.68 69.43 3.86 28.21 70.31 3.62 2 0 25.00 -999 ? C3 GOL B 194 >GLY.A 83 25.81 68.55 0.01 25.95 68.17 0.73 25.88 68.36 0.37 1 0 28.32 -999 ? C3 GOL B 194 >SER.A 84 27.62 65.46 1.31 29.19 65.31 -0.52 28.41 65.38 0.39 2 0 30.99 -999 ? C3 GOL B 194 >ASN^A 85 27.40 66.55 5.75 29.54 66.31 5.74 28.47 66.43 5.74 2 0 25.75 -999 ? C3 GOL B 194 >LEU^A 86 22.74 63.54 7.12 21.54 62.56 5.58 22.14 63.05 6.35 3 0 27.29 -999 ? C3 GOL B 194 >LYS^A 87 23.32 67.02 10.12 27.07 70.84 8.66 25.19 68.93 9.39 2 0 20.18 -999 ? C3 GOL B 194 >ALA^A 88 21.36 66.08 13.30 21.08 64.54 13.34 21.22 65.31 13.32 2 0 22.22 -999 ? O3 GOL B 194 >THR^A 89 20.72 67.32 16.83 20.00 69.22 17.61 20.36 68.27 17.22 2 0 16.30 -999 ? O3 GOL B 194 >LEU^A 90 22.23 63.56 19.41 22.49 61.47 20.24 22.36 62.51 19.82 3 0 21.69 -999 ? O3 GOL B 194 >GLN^A 91 17.90 66.92 21.97 16.32 68.25 22.48 17.11 67.59 22.22 2 0 16.99 -999 ? O3 GOL B 194 >ILE^A 92 20.88 62.29 26.21 22.14 61.70 26.43 21.51 62.00 26.32 3 0 18.17 -999 ? O2 GOL B 195 >GLU.A 93 15.24 63.90 25.87 13.78 63.96 24.33 14.51 63.93 25.10 2 0 21.75 -999 ? O3 GOL B 195 >TYR.A 94 17.89 59.54 31.27 19.23 57.52 29.95 18.56 58.53 30.61 3 0 17.65 -999 ? O2 GOL B 195 >GLU.A 95 11.60 59.22 33.07 9.64 58.51 33.42 10.62 58.87 33.25 2 0 20.75 -999 ? O3 GOL B 195 >ASN~A 96 14.15 62.57 37.78 14.87 60.63 38.22 14.51 61.60 38.00 2 0 14.09 -999 ? O3 GOL B 195 >THR~A 98 19.55 62.29 39.44 19.66 61.48 41.48 19.61 61.89 40.46 2 0 9.86 -999 ? C2 GOL B 195 >GLN~A 99 17.13 58.28 35.31 17.56 56.44 36.26 17.34 57.36 35.79 2 0 16.46 -999 ? C2 GOL B 195 >ARG~A 101 24.17 65.32 38.94 26.67 67.12 38.51 25.42 66.22 38.72 2 0 -4.09 -999 ? O2 GOL B 195s >ALA~A 102 23.84 59.48 36.35 23.10 58.42 37.15 23.47 58.95 36.75 2 0 12.15 -999 ? O2 GOL B 195 >ALA~A 103 23.01 58.73 32.65 21.65 58.94 31.95 22.33 58.83 32.30 2 0 15.20 -999 ? O2 GOL B 195 >LEU~A 104 24.97 63.02 31.50 23.57 64.24 30.30 24.27 63.63 30.90 3 0 12.76 -999 ? O2 GOL B 195 >ALA~A 105 28.17 60.11 33.13 28.33 59.99 34.68 28.25 60.05 33.91 2 0 11.63 -999 ? O2 GOL B 195 >ARG~A 106 25.00 53.66 32.89 22.53 55.41 33.72 23.77 54.53 33.31 2 0 16.45 -999 ? O2 GOL B 195 >LEU~A 107 25.54 58.08 28.09 23.88 56.68 27.90 24.71 57.38 27.99 3 0 18.37 -999 ? O2 GOL B 195 >VAL.A 108 30.07 59.72 28.06 32.06 59.63 28.90 31.06 59.68 28.48 3 0 16.96 -999 ? O2 GOL B 195 >GLY~A 109 31.17 59.61 24.41 30.40 59.49 24.63 30.78 59.55 24.52 1 0 20.46 -999 ? O2 GOL B 195 >ILE~A 110 26.47 58.15 23.89 25.07 58.13 24.05 25.77 58.14 23.97 3 0 21.17 -999 ? O2 GOL B 195 >GLU~A 111 29.20 63.04 21.20 29.67 62.71 23.27 29.44 62.88 22.24 2 0 20.09 -999 ? O2 GOL B 195 >ASP~A 112 32.04 59.25 19.45 32.78 60.99 20.31 32.41 60.12 19.88 2 0 23.97 -999 ? O2 GOL B 195 >ARG.A 113 31.55 55.22 20.17 33.24 53.49 18.28 32.40 54.35 19.22 2 0 29.08 -999 ? O2 GOL B 195 >VAL^A 114 25.83 56.64 16.77 24.07 57.92 17.13 24.95 57.28 16.95 3 0 27.51 -999 ? O3 GOL B 194 >PHE^A 115 26.43 52.83 13.46 25.34 50.40 14.24 25.88 51.62 13.85 3 0 33.18 -999 ? O2 GOL B 195 >LEU^A 116 23.87 56.50 9.09 22.40 58.05 8.99 23.14 57.28 9.04 3 0 30.51 -999 ? C3 GOL B 194 >ARG^A 117 25.04 48.68 7.52 22.89 47.51 9.39 23.97 48.09 8.46 2 0 39.18 -999 ? O3 GOL B 194 >VAL^A 118 22.83 53.04 3.77 22.87 54.74 2.39 22.85 53.89 3.08 3 0 36.53 -999 ? C3 GOL B 194 >ASP.A 119 22.00 49.82 0.86 21.35 48.14 -0.29 21.67 48.98 0.28 2 0 43.25 -999 ? C3 GOL B 194 >ASP.A 120 25.01 45.98 1.84 25.34 46.28 -0.20 25.17 46.13 0.82 2 0 44.68 -999 ? C3 GOL B 194 >GLU.A 121 26.56 51.43 0.55 27.84 50.75 -0.99 27.20 51.09 -0.22 2 0 41.57 -999 ? C3 GOL B 194 >ALA.A 122 30.07 50.63 5.28 31.49 51.16 5.17 30.78 50.90 5.23 2 0 38.39 -999 ? C3 GOL B 194 >PRO.A 123 29.29 50.19 9.59 28.85 51.71 7.93 29.07 50.95 8.76 3 0 36.59 -999 ? C3 GOL B 194 >VAL^A 124 29.03 55.93 8.93 28.94 57.51 7.39 28.99 56.72 8.16 3 0 31.75 -999 ? C3 GOL B 194 >TYR^A 125 30.75 55.26 13.78 30.32 52.58 14.52 30.54 53.92 14.15 3 0 31.96 -999 ? O2 GOL B 195 >ALA.A 126 28.65 60.67 13.52 27.54 60.99 14.54 28.10 60.83 14.03 2 0 24.98 -999 ? C3 GOL B 194 >ILE^A 127 32.27 63.79 12.89 33.43 63.83 12.18 32.85 63.81 12.53 3 0 24.61 -999 ? C3 GOL B 194 >ALA^A 128 30.11 65.30 16.97 29.73 64.48 18.22 29.92 64.89 17.59 2 0 21.00 -999 ? C3 GOL B 194 >ASP.A 129 30.49 68.45 19.84 28.72 67.51 20.55 29.60 67.98 20.20 2 0 17.38 -999 ? C3 GOL B 194 >GLU.A 130 33.56 68.43 14.20 33.28 67.99 12.18 33.42 68.21 13.19 2 0 21.67 -999 ? C3 GOL B 194 >ASP.A 131 30.50 74.16 16.57 29.07 73.14 17.72 29.79 73.65 17.15 2 0 13.29 -999 ? C3 GOL B 194 >LEU.A 132 32.24 72.45 21.40 30.32 73.02 22.13 31.28 72.74 21.76 3 0 13.31 -999 ? C2 GOL B 194 >GLU~A 133 37.04 76.30 21.19 37.75 78.13 22.06 37.39 77.21 21.63 2 0 13.54 -999 ? C1 GOL B 194 >ASP~A 135 38.23 72.72 27.24 40.27 72.33 27.62 39.25 72.53 27.43 2 0 19.32 -999 ? C2 GOL B 194 >THR~A 136 33.91 72.55 25.96 33.01 74.41 25.28 33.46 73.48 25.62 2 0 12.52 -999 ? C2 GOL B 194 >ALA~A 137 33.41 69.41 23.84 34.19 69.07 22.55 33.80 69.24 23.19 2 0 17.73 -999 ? C2 GOL B 194 >GLU~A 138 36.67 66.11 27.89 38.25 66.47 29.26 37.46 66.29 28.58 2 0 17.31 -999 ? O2 GOL B 195 >LYS~A 139 31.96 68.53 29.11 34.02 74.01 30.56 32.99 71.27 29.83 2 0 14.62 -999 ? O2 GOL B 195 >THR.A 140 28.86 66.26 28.83 28.79 64.70 30.45 28.83 65.48 29.64 2 0 12.60 -999 ? O2 GOL B 195 >SER.A 141 25.59 67.65 27.49 25.01 69.49 25.89 25.30 68.57 26.69 2 0 14.40 -999 ? O3 GOL B 194 >ALA.A 142 22.13 66.24 26.94 20.85 66.57 27.75 21.49 66.40 27.34 2 0 15.48 -999 ? O3 GOL B 195 >VAL^A 143 22.45 67.91 23.46 20.93 69.42 22.97 21.69 68.67 23.21 3 0 15.15 -999 ? O3 GOL B 194 >HIS^A 144 26.12 65.49 22.14 26.99 65.07 24.01 26.55 65.28 23.07 3 0 18.78 -999 ? O3 GOL B 194 >PHE^A 145 24.97 70.95 17.35 23.33 73.03 18.30 24.15 71.99 17.83 3 0 13.38 -999 ? C3 GOL B 194 >LEU^A 146 25.52 64.19 15.00 25.49 63.06 16.86 25.51 63.63 15.93 3 0 21.84 -999 ? C3 GOL B 194 >ARG^A 147 30.34 67.28 9.21 33.11 65.97 8.88 31.73 66.62 9.04 2 0 24.95 -999 ? C3 GOL B 194 >PHE^A 148 25.48 60.97 10.40 24.41 60.23 12.85 24.94 60.60 11.63 3 0 26.35 -999 ? C3 GOL B 194 >GLU.A 149 31.70 63.05 4.82 33.77 63.43 5.01 32.73 63.24 4.91 2 0 29.37 -999 ? C3 GOL B 194 >LEU.A 150 26.71 60.17 2.68 25.04 59.94 4.11 25.88 60.05 3.40 3 0 31.44 -999 ? C3 GOL B 194 >GLY~A 151 30.19 59.12 -0.09 29.36 59.03 -0.02 29.77 59.08 -0.05 1 0 34.92 -999 ? C3 GOL B 194 >ASP~A 152 29.86 58.89 -4.89 28.72 59.06 -6.65 29.29 58.98 -5.77 2 0 39.53 -999 ? C3 GOL B 194 >ALA~A 153 27.86 55.17 -3.53 28.78 53.89 -3.37 28.32 54.53 -3.45 2 0 40.73 -999 ? C3 GOL B 194 >MET?A 154 25.78 55.93 -0.39 28.14 56.10 3.11 26.96 56.01 1.36 2 0 34.89 -999 ? C3 GOL B 194 >LYS~A 155 24.27 59.03 -1.86 27.50 64.29 -2.45 25.89 61.66 -2.15 2 0 32.90 -999 ? C3 GOL B 194 >ALA~A 156 23.25 57.12 -5.00 24.17 56.31 -5.92 23.71 56.71 -5.46 2 0 40.55 -999 ? C3 GOL B 194 >LYS~A 157 21.58 54.28 -3.04 24.91 49.09 -2.18 23.25 51.69 -2.61 2 0 43.46 -999 ? C3 GOL B 194 >LEU~A 158 20.50 57.58 0.35 19.78 58.08 2.30 20.14 57.83 1.32 3 0 34.69 -999 ? C3 GOL B 194 >LYS~A 159 18.35 58.81 -3.40 19.88 64.01 -3.77 19.11 61.41 -3.59 2 0 34.26 -999 ? C3 GOL B 194 >ALA~A 160 17.36 55.64 -5.11 18.36 54.65 -5.74 17.86 55.15 -5.43 2 0 41.99 -999 ? C3 GOL B 194 >GLY.A 161 15.22 54.66 -2.02 15.97 54.38 -2.10 15.59 54.52 -2.06 1 0 40.06 -999 ? O3 GOL B 194 >ALA.A 162 17.55 52.12 -0.42 19.08 51.95 -0.57 18.31 52.03 -0.50 2 0 40.54 -999 ? C3 GOL B 194 >PRO.A 163 16.98 48.99 2.54 17.12 51.23 2.54 17.05 50.11 2.54 3 0 40.54 -999 ? O3 GOL B 194 >LEU^A 164 18.49 55.02 5.71 19.91 56.53 6.25 19.20 55.77 5.98 3 0 33.69 -999 ? O3 GOL B 194 >SER^A 165 19.42 52.07 9.27 19.00 49.83 8.47 19.21 50.95 8.87 2 0 37.66 -999 ? O3 GOL B 194 >ILE^A 166 19.91 55.04 12.89 19.72 56.41 12.96 19.81 55.72 12.92 3 0 30.42 -999 ? O3 GOL B 194 >GLY^A 167 22.42 52.09 15.44 22.66 52.87 15.35 22.54 52.48 15.39 1 0 31.90 -999 ? O2 GOL B 195 >CYH^A 168 24.58 52.73 18.49 24.95 54.29 20.80 24.76 53.51 19.64 2 0 25.95 -999 ? O2 GOL B 195 >ASP.A 169 28.50 50.07 18.68 30.01 51.45 18.09 29.25 50.76 18.39 2 0 29.85 -999 ? O2 GOL B 195 >HIS.A 170 28.17 54.29 24.72 28.94 54.92 26.58 28.56 54.61 25.65 3 0 21.85 -999 ? O2 GOL B 195 >PRO.A 171 30.99 50.17 25.42 28.79 50.31 25.22 29.89 50.24 25.32 3 0 25.23 -999 ? O2 GOL B 195 >HIS.A 172 27.45 51.81 29.98 28.85 50.98 31.31 28.15 51.39 30.65 3 0 20.89 -999 ? O2 GOL B 195 >TYR.A 173 21.96 53.84 24.68 19.28 54.61 24.25 20.62 54.23 24.47 3 0 23.83 -999 ? O2 GOL B 195 >PRO.A 174 23.61 47.65 24.49 23.76 49.46 23.16 23.68 48.55 23.82 3 0 27.53 -999 ? O2 GOL B 195 >ILE^A 175 20.57 50.95 19.55 19.31 50.92 20.23 19.94 50.94 19.89 3 0 29.45 -999 ? O2 GOL B 195 >GLN^A 176 20.98 44.62 17.56 21.81 43.21 16.21 21.39 43.91 16.89 2 0 36.83 -999 ? O2 GOL B 195 >ALA^A 177 21.01 48.90 13.54 22.03 48.69 12.42 21.52 48.79 12.98 2 0 36.29 -999 ? O2 GOL B 195 >ALA^A 178 17.37 49.26 12.58 16.45 49.39 13.86 16.91 49.32 13.22 2 0 35.95 -999 ? O2 GOL B 195 >ARG.A 179 16.26 48.59 6.87 16.63 46.18 5.03 16.44 47.38 5.95 2 0 42.72 -999 ? O3 GOL B 194 >ILE.A 180 15.13 55.42 9.72 16.19 56.32 9.44 15.66 55.87 9.58 3 0 32.41 -999 ? O3 GOL B 194 >ASP~A 181 10.12 56.15 9.01 8.27 56.72 8.11 9.19 56.43 8.56 2 0 34.85 -999 ? O3 GOL B 194 >PRO~A 182 10.43 53.09 4.38 11.03 55.08 5.14 10.73 54.09 4.76 3 0 37.64 -999 ? O3 GOL B 194 >ASP~A 183 8.03 58.89 4.99 7.43 60.85 4.52 7.73 59.87 4.75 2 0 34.12 -999 ? O3 GOL B 194 >VAL~A 184 12.14 59.94 6.75 12.45 60.05 8.96 12.30 60.00 7.86 3 0 30.88 -999 ? O3 GOL B 194 >ALA~A 185 14.96 58.43 4.67 15.28 56.90 4.41 15.12 57.66 4.54 2 0 34.35 -999 ? O3 GOL B 194 >ALA~A 186 13.35 60.01 1.53 11.92 59.74 0.98 12.63 59.87 1.26 2 0 35.34 -999 ? O3 GOL B 194 >SER~A 187 13.42 63.43 3.17 12.92 65.14 4.81 13.17 64.28 3.99 2 0 28.87 -999 ? O3 GOL B 194 >LEU~A 188 17.61 61.91 5.14 17.14 61.75 7.34 17.37 61.83 6.24 3 0 29.01 -999 ? O3 GOL B 194 >ALA~A 189 18.05 61.96 0.61 17.32 60.88 -0.25 17.68 61.42 0.18 2 0 34.01 -999 ? C3 GOL B 194 >GLY~A 190 16.91 65.42 -0.52 17.45 65.29 0.05 17.18 65.35 -0.24 1 0 31.41 -999 ? C3 GOL B 194 >ASP.A 191 19.87 66.74 3.13 18.32 66.99 4.56 19.09 66.87 3.85 2 0 26.30 -999 ? C3 GOL B 194 >LEU.A 192 22.55 64.13 -0.31 23.07 62.96 1.37 22.81 63.55 0.53 3 0 30.94 -999 ? C3 GOL B 194 >ASP.A 193 24.50 68.34 -3.63 26.63 67.87 -3.49 25.56 68.10 -3.56 2 0 31.70 -999 ? C3 GOL B 194 >LEU.B 3 32.13 65.58 53.71 30.36 64.80 52.68 31.25 65.19 53.20 3 0 8.55 -999 ? CL CL B 196 >THR~B 4 34.15 61.78 56.08 34.25 61.82 58.19 34.20 61.80 57.13 2 0 12.84 -999 ? CL CL B 196 >ARG~B 5 34.06 55.74 52.87 32.11 53.35 53.25 33.08 54.55 53.06 2 0 18.97 -999 ? C1 GOL B 195 >ASP~B 6 33.44 56.87 59.30 35.01 55.44 59.26 34.22 56.16 59.28 2 0 19.24 -999 ? CL CL B 196 >SER~B 7 29.91 59.58 57.80 30.52 61.60 56.50 30.21 60.59 57.15 2 0 12.07 -999 ? CL CL B 196 >LEU~B 8 28.86 57.78 53.37 29.94 59.18 52.03 29.40 58.48 52.70 3 0 13.81 -999 ? C1 GOL B 195 >LEU.B 9 23.55 56.72 54.81 22.41 57.80 56.34 22.98 57.26 55.57 3 0 16.27 -999 ? O1 GOL B 195 >THR~B 10 24.75 52.57 53.63 24.32 51.19 55.25 24.54 51.88 54.44 2 0 20.94 -999 ? C1 GOL B 195 >LEU~B 11 22.62 51.04 49.44 23.67 51.23 47.54 23.15 51.14 48.49 3 0 18.56 -999 ? C1 GOL B 195 >GLU~B 12 20.22 48.03 53.00 22.16 47.68 52.20 21.19 47.85 52.60 2 0 23.04 -999 ? C1 GOL B 195 >ALA~B 13 20.03 53.50 55.40 21.23 53.87 56.33 20.63 53.68 55.87 2 0 19.66 -999 ? O1 GOL B 195 >TYR~B 14 20.42 57.91 50.90 19.61 60.24 49.53 20.01 59.08 50.21 3 0 12.67 -999 ? O1 GOL B 195 >ALA~B 15 17.00 54.48 50.90 17.02 53.05 50.39 17.01 53.77 50.64 2 0 19.07 -999 ? O1 GOL B 195 >LYS~B 16 14.96 54.70 54.09 16.77 50.31 57.17 15.87 52.50 55.63 2 0 24.15 -999 ? O1 GOL B 195 >VAL~B 17 15.46 58.48 54.36 17.21 58.68 55.72 16.33 58.58 55.04 3 0 17.14 -999 ? O1 GOL B 195 >ARG~B 18 16.26 58.09 47.13 16.05 58.49 44.09 16.15 58.29 45.61 2 0 14.25 -999 ? O1 GOL B 195 >GLN~B 20 11.44 61.94 55.28 11.95 60.61 56.86 11.69 61.28 56.07 2 0 19.69 -999 ? O1 GOL B 195 >GLU~B 21 17.83 62.59 53.45 18.46 64.17 54.66 18.14 63.38 54.05 2 0 12.75 -999 ? O1 GOL B 195 >HIS~B 22 13.93 65.13 46.65 13.91 66.10 44.79 13.92 65.61 45.72 3 0 11.68 -999 ? O3 GOL B 195 >ALA~B 23 12.48 67.62 50.63 11.34 67.15 51.47 11.91 67.39 51.05 2 0 15.24 -999 ? O1 GOL B 195 >ARG~B 24 16.91 67.78 56.45 19.86 67.71 55.44 18.38 67.75 55.95 2 0 11.68 -999 ? O1 GOL B 195 >VAL~B 25 17.69 69.58 50.48 18.40 67.72 49.55 18.05 68.65 50.01 3 0 8.54 -999 ? O1 GOL B 195 >ILE~B 26 13.87 70.95 47.72 12.85 70.63 46.82 13.36 70.79 47.27 3 0 11.68 -999 ? O3 GOL B 195 >ALA~B 27 14.47 73.66 51.17 13.85 73.17 52.49 14.16 73.42 51.83 2 0 13.83 -999 ? O1 GOL B 195 >HIS~B 28 20.51 73.47 52.66 22.40 74.18 53.24 21.45 73.83 52.95 3 0 8.99 -999 ? CL CL B 196 >LYS~B 29 19.09 74.97 48.37 20.25 69.89 44.71 19.67 72.43 46.54 2 0 4.44 -999 ? O3 GOL B 195 >LYS~B 30 16.78 77.97 48.49 10.66 76.82 49.20 13.72 77.40 48.85 2 0 16.21 -999 ? O3 GOL B 195 >ARG.B 31 18.49 79.39 54.61 20.27 81.25 56.37 19.38 80.32 55.49 2 0 12.71 -999 ? CL CL B 196 >ARG.B 32 23.54 77.22 50.87 26.55 77.48 51.53 25.04 77.35 51.20 2 0 6.30 -999 ? CL CL B 196 >ALA^B 33 21.21 79.41 44.83 20.05 78.62 44.13 20.63 79.01 44.48 2 0 9.12 -999 ? O3 GOL B 195 >VAL^B 34 21.92 82.72 43.01 23.83 83.31 43.97 22.88 83.02 43.49 3 0 12.55 -999 ? O3 GOL B 195 >SER^B 35 21.16 83.88 39.44 18.90 83.03 39.17 20.03 83.46 39.30 2 0 13.84 -999 ? O3 GOL B 195 >ILE^B 36 25.00 85.80 37.11 26.42 85.97 37.43 25.71 85.88 37.27 3 0 11.56 -999 ? O2 GOL B 194 >GLY.B 37 21.25 87.52 34.53 21.14 86.82 35.03 21.20 87.17 34.78 1 0 9.89 -999 ? O2 GOL B 194 >ASN.B 38 18.19 85.64 31.41 17.21 87.48 31.54 17.70 86.56 31.47 2 0 10.01 -999 ? O3 GOL B 194 >HIS.B 39 20.79 83.04 29.36 19.25 83.50 28.01 20.02 83.27 28.69 3 0 5.31 -999 ? O3 GOL B 194 >LEU^B 40 24.78 82.51 34.81 26.53 82.32 33.62 25.66 82.41 34.21 3 0 8.91 -999 ? O2 GOL B 194 >ARG^B 41 19.48 80.29 37.44 18.47 82.59 35.57 18.98 81.44 36.51 2 0 12.13 -999 ? O2 GOL B 194 >LEU^B 42 25.94 80.34 41.21 27.51 81.42 40.30 26.73 80.88 40.76 3 0 10.69 -999 ? C3 GOL B 195 >LEU^B 43 24.06 75.41 43.37 22.97 74.26 44.89 23.52 74.83 44.13 3 0 -4.64 -999 ? O3 GOL B 195s >PHE^B 44 27.37 79.88 46.69 28.37 82.10 45.23 27.87 80.99 45.96 3 0 11.44 -999 ? C3 GOL B 195 >GLU.B 45 28.52 73.04 45.42 26.77 71.91 44.91 27.65 72.48 45.17 2 0 -2.97 -999 ? O1 GOL B 195s >ASP~B 46 27.48 73.75 52.35 25.39 73.48 52.28 26.43 73.62 52.31 2 0 -5.46 -999 ? CL CL B 196s >GLU~B 47 28.05 69.14 55.84 29.13 68.49 57.57 28.59 68.82 56.70 2 0 -5.89 -999 ? CL CL B 196s >THR~B 48 24.51 69.29 53.07 22.97 70.26 54.25 23.74 69.77 53.66 2 0 8.01 -999 ? CL CL B 196 >THR~B 49 24.33 69.65 49.27 24.67 71.74 48.71 24.50 70.70 48.99 2 0 -4.23 -999 ? O1 GOL B 195s >ILE~B 50 28.91 67.95 49.03 30.10 68.48 48.82 29.51 68.21 48.93 3 0 -5.74 -999 ? C1 GOL B 195s >ARG~B 51 25.78 63.79 54.79 28.60 64.04 55.99 27.19 63.91 55.39 2 0 9.72 -999 ? CL CL B 196 >TYR~B 52 20.86 65.47 48.24 18.65 65.04 46.56 19.76 65.25 47.40 3 0 7.14 -999 ? O1 GOL B 195 >GLN~B 53 26.20 65.27 43.92 24.73 65.08 42.39 25.47 65.17 43.16 2 0 -4.13 -999 ? C2 GOL B 195s >ILE~B 54 28.03 61.56 48.09 29.26 61.53 48.72 28.64 61.55 48.40 3 0 8.85 -999 ? C1 GOL B 195 >HIS~B 55 24.02 59.76 50.89 25.03 59.66 52.72 24.53 59.71 51.80 3 0 11.92 -999 ? O1 GOL B 195 >GLU~B 56 20.47 62.15 45.46 18.69 61.02 45.25 19.58 61.59 45.36 2 0 10.60 -999 ? O1 GOL B 195 >MET?B 57 24.79 58.81 42.97 25.43 60.96 40.51 25.11 59.89 41.74 2 0 8.11 -999 ? O2 GOL B 195 >LEU~B 58 25.87 55.88 46.71 27.99 55.96 47.26 26.93 55.92 46.99 3 0 13.37 -999 ? C1 GOL B 195 >HIS~B 59 19.26 55.56 45.70 17.32 54.78 45.81 18.29 55.17 45.75 3 0 15.87 -999 ? O1 GOL B 195 >ILE~B 60 20.90 56.74 40.72 20.33 56.71 40.16 20.62 56.72 40.44 3 0 13.59 -999 ? C2 GOL B 195 >GLU~B 61 25.26 55.08 38.98 25.02 54.23 37.02 25.14 54.66 38.00 2 0 15.54 -999 ? O2 GOL B 195 >LYS~B 62 23.53 50.88 43.41 18.20 49.75 41.71 20.86 50.31 42.56 2 0 20.77 -999 ? C2 GOL B 195 >ILE.B 63 27.99 52.53 44.23 28.83 53.33 43.52 28.41 52.93 43.88 3 0 15.92 -999 ? O2 GOL B 195 >PHE.B 64 26.89 47.04 47.11 26.63 44.83 45.38 26.76 45.94 46.24 3 0 23.13 -999 ? O2 GOL B 195 >ASP~B 65 32.18 47.67 45.53 32.31 49.19 44.07 32.24 48.43 44.80 2 0 20.30 -999 ? O2 GOL B 195 >GLU~B 66 36.28 50.42 50.50 35.03 51.40 51.87 35.66 50.91 51.19 2 0 21.12 -999 ? C1 GOL B 195 >ASP~B 67 37.04 50.55 44.74 38.81 49.59 45.43 37.93 50.07 45.08 2 0 22.67 -999 ? O2 GOL B 195 >GLY~B 68 33.14 52.68 44.17 33.41 52.79 44.93 33.27 52.74 44.55 1 0 17.26 -999 ? O2 GOL B 195 >ILE~B 69 31.57 53.61 48.76 30.76 53.16 49.85 31.17 53.39 49.30 3 0 17.15 -999 ? C1 GOL B 195 >GLN~B 70 37.74 56.04 48.86 37.32 57.28 50.51 37.53 56.66 49.69 2 0 17.37 -999 ? C1 GOL B 195 >ALA~B 71 35.42 57.06 44.40 35.30 56.23 43.14 35.36 56.64 43.77 2 0 15.00 -999 ? O2 GOL B 195 >GLU~B 72 30.11 57.58 43.95 30.18 58.41 42.01 30.14 58.00 42.98 2 0 10.77 -999 ? O2 GOL B 195 >LEU~B 73 33.79 59.89 49.14 33.98 60.71 51.13 33.88 60.30 50.13 3 0 13.03 -999 ? C1 GOL B 195 >ASP~B 74 37.71 60.62 45.63 38.65 59.36 47.03 38.18 59.99 46.33 2 0 15.65 -999 ? O2 GOL B 195 >ALA~B 75 34.83 63.07 43.34 33.85 62.28 42.49 34.34 62.68 42.91 2 0 9.37 -999 ? O2 GOL B 195 >TYR~B 76 30.54 64.71 44.58 29.13 64.07 42.29 29.83 64.39 43.43 3 0 5.27 -999 ? O2 GOL B 195 >LEU~B 77 35.94 65.25 49.06 36.32 65.11 51.16 36.13 65.18 50.11 3 0 11.22 -999 ? CL CL B 196 >PRO~B 78 37.52 67.48 45.08 36.48 68.47 46.77 37.00 67.97 45.93 3 0 10.63 -999 ? O2 GOL B 195 >LEU~B 79 32.14 70.65 45.77 31.98 69.88 43.71 32.06 70.26 44.74 3 0 5.80 -999 ? O2 GOL B 195 >VAL~B 80 33.24 71.36 50.28 32.86 69.87 51.83 33.05 70.61 51.05 3 0 5.48 -999 ? CL CL B 196 >PRO.B 81 32.01 75.46 51.18 33.97 74.26 51.20 32.99 74.86 51.19 3 0 4.68 -999 ? CL CL B 196 >ASP.B 82 39.07 74.83 52.39 38.97 73.58 50.68 39.02 74.20 51.53 2 0 9.62 -999 ? CL CL B 196 >GLY.B 83 37.19 77.53 55.82 37.20 77.82 55.05 37.19 77.68 55.44 1 0 8.07 -999 ? CL CL B 196 >SER.B 84 38.27 80.72 53.97 40.04 81.08 55.52 39.16 80.90 54.75 2 0 12.38 -999 ? CL CL B 196 >ASN^B 85 37.43 79.33 49.81 37.51 77.21 50.07 37.47 78.27 49.94 2 0 9.38 -999 ? CL CL B 196 >LEU^B 86 32.24 81.01 48.69 31.21 82.04 50.33 31.72 81.53 49.51 3 0 9.67 -999 ? CL CL B 196 >LYS^B 87 32.54 77.13 46.24 37.00 73.25 48.57 34.77 75.19 47.41 2 0 9.15 -999 ? CL CL B 196 >ALA^B 88 29.75 77.06 43.67 29.22 78.46 43.41 29.48 77.76 43.54 2 0 8.99 -999 ? C3 GOL B 195 >THR^B 89 28.65 74.95 40.76 27.91 73.09 41.60 28.28 74.02 41.18 2 0 -3.78 -999 ? C3 GOL B 195s >LEU^B 90 28.64 77.70 36.97 28.44 79.63 35.96 28.54 78.67 36.46 3 0 10.65 -999 ? C3 GOL B 195 >GLN^B 91 23.75 74.09 36.53 21.99 73.16 37.28 22.87 73.62 36.90 2 0 6.05 -999 ? O3 GOL B 195 >ILE^B 92 24.96 77.54 30.82 25.93 78.08 29.87 25.44 77.81 30.34 3 0 8.65 -999 ? O2 GOL B 194 >GLU.B 93 18.25 77.22 32.57 17.29 77.18 34.45 17.77 77.20 33.51 2 0 12.30 -999 ? O3 GOL B 195 >TYR.B 94 20.05 79.63 26.78 22.22 81.34 26.49 21.13 80.48 26.63 3 0 -4.40 -999 ? O3 GOL B 194s >GLU.B 95 12.32 78.75 26.43 10.78 80.13 26.33 11.55 79.44 26.38 2 0 13.01 -999 ? O3 GOL B 194 >ASN~B 96 14.46 74.50 25.06 14.93 75.29 23.18 14.70 74.90 24.12 2 0 11.81 -999 ? O3 GOL B 194 >GLU~B 97 18.11 71.03 27.75 19.85 71.31 28.92 18.98 71.17 28.34 2 0 13.59 -999 ? O3 GOL B 194 >THR~B 98 19.03 73.18 22.14 17.37 72.51 20.97 18.20 72.85 21.56 2 0 13.05 -999 ? O3 GOL B 194 >GLN~B 99 17.21 78.10 22.12 15.56 79.29 22.77 16.39 78.69 22.44 2 0 8.92 -999 ? O3 GOL B 194 >ARG~B 100 22.46 74.16 28.75 25.18 72.81 29.04 23.82 73.48 28.89 2 0 12.01 -999 ? O3 GOL B 194 >ARG~B 101 25.77 71.86 22.39 27.62 72.10 19.93 26.70 71.98 21.16 2 0 12.93 -999 ? C3 GOL B 194 >ALA~B 102 23.80 76.85 20.55 22.47 77.38 19.85 23.14 77.11 20.20 2 0 7.83 -999 ? O3 GOL B 194 >ALA~B 103 25.16 79.37 23.17 24.27 79.84 24.41 24.72 79.61 23.79 2 0 4.01 -999 ? O3 GOL B 194 >LEU~B 104 28.09 75.72 24.71 27.14 74.58 26.31 27.61 75.15 25.51 3 0 9.51 -999 ? C2 GOL B 194 >ALA~B 105 30.75 78.21 22.06 30.76 77.99 20.51 30.75 78.10 21.29 2 0 9.09 -999 ? C1 GOL B 194 >ARG~B 106 27.53 83.57 20.48 24.56 82.84 20.21 26.05 83.20 20.34 2 0 -3.68 -999 ? C3 GOL B 194s >LEU~B 107 29.03 80.81 27.15 27.17 81.98 27.44 28.10 81.39 27.30 3 0 4.81 -999 ? C2 GOL B 194 >VAL~B 108 33.69 79.69 26.61 34.98 78.50 25.28 34.33 79.10 25.94 3 0 10.31 -999 ? C1 GOL B 194 >GLY~B 109 35.58 81.07 29.60 34.78 81.06 29.62 35.18 81.07 29.61 1 0 11.69 -999 ? C1 GOL B 194 >ILE~B 110 31.03 81.99 31.09 30.10 82.20 31.20 30.57 82.10 31.15 3 0 8.25 -999 ? O2 GOL B 194 >GLU~B 111 33.38 78.24 34.07 34.22 78.24 32.14 33.80 78.24 33.11 2 0 13.08 -999 ? C2 GOL B 194 >ASP~B 112 37.88 82.87 34.03 38.37 80.92 33.48 38.13 81.90 33.76 2 0 15.91 -999 ? O2 GOL B 194 >ARG.B 113 36.60 86.56 32.37 38.38 88.69 33.71 37.49 87.62 33.04 2 0 15.87 -999 ? O2 GOL B 194 >VAL^B 114 32.17 85.57 37.49 30.61 84.06 37.86 31.39 84.82 37.68 3 0 13.48 -999 ? O2 GOL B 194 >PHE^B 115 33.03 90.08 39.64 31.44 92.15 38.65 32.24 91.12 39.15 3 0 16.31 -999 ? O2 GOL B 194 >LEU^B 116 31.86 87.24 45.15 30.44 85.71 45.60 31.15 86.47 45.37 3 0 16.00 -999 ? CL CL B 196 >ARG^B 117 32.57 95.27 45.13 30.03 95.75 43.40 31.30 95.51 44.26 2 0 21.17 -999 ? O2 GOL B 194 >VAL^B 118 32.07 91.70 49.75 32.64 90.31 51.32 32.36 91.00 50.53 3 0 18.09 -999 ? CL CL B 196 >ASP.B 119 31.32 95.61 52.00 30.49 97.48 52.68 30.90 96.54 52.34 2 0 24.04 -999 ? CL CL B 196 >ASP.B 120 33.52 99.06 49.55 34.24 100.39 48.03 33.88 99.73 48.79 2 0 27.97 -999 ? CL CL B 196 >GLU.B 121 36.43 93.78 51.36 38.36 94.23 52.19 37.40 94.01 51.77 2 0 22.37 -999 ? CL CL B 196 >ALA.B 122 38.15 94.18 45.90 39.65 93.80 45.77 38.90 93.99 45.84 2 0 24.07 -999 ? CL CL B 196 >PRO.B 123 36.80 93.20 41.83 36.51 92.44 43.90 36.66 92.82 42.87 3 0 22.03 -999 ? O2 GOL B 194 >VAL^B 124 37.24 88.18 43.90 37.69 87.01 45.72 37.46 87.60 44.81 3 0 18.67 -999 ? CL CL B 196 >TYR^B 125 37.56 87.97 38.78 36.66 90.38 37.64 37.11 89.18 38.21 3 0 17.76 -999 ? O2 GOL B 194 >ALA.B 126 36.30 82.60 40.53 35.15 82.01 39.79 35.73 82.30 40.16 2 0 15.40 -999 ? C3 GOL B 195 >ILE.B 127 40.13 79.71 41.08 41.44 79.70 41.63 40.79 79.71 41.36 3 0 17.62 -999 ? O2 GOL B 195 >ALA.B 128 37.80 77.23 37.76 38.30 77.11 36.33 38.05 77.17 37.05 2 0 15.24 -999 ? O2 GOL B 195 >VAL.B 143 33.49 67.66 39.01 32.12 67.05 40.60 32.81 67.35 39.80 3 0 6.41 -999 ? O2 GOL B 195 >PHE.B 145 34.39 73.42 42.35 36.78 72.88 43.75 35.58 73.15 43.05 3 0 9.65 -999 ? O2 GOL B 195 >LEU^B 146 33.10 78.95 40.51 32.14 79.06 38.53 32.62 79.00 39.52 3 0 11.61 -999 ? C3 GOL B 195 >ARG^B 147 39.13 76.81 45.83 41.78 77.83 44.60 40.45 77.32 45.21 2 0 15.94 -999 ? CL CL B 196 >PHE^B 148 33.89 82.83 44.53 32.19 82.77 42.26 33.04 82.80 43.40 3 0 14.61 -999 ? C3 GOL B 195 >GLU^B 149 40.81 81.19 47.11 40.54 79.75 48.67 40.67 80.47 47.89 2 0 13.46 -999 ? CL CL B 196 >LEU.B 150 36.88 85.17 51.46 34.93 84.85 50.49 35.90 85.01 50.98 3 0 13.33 -999 ? CL CL B 196 >GLY~B 151 40.78 87.39 52.53 39.98 87.23 52.72 40.38 87.31 52.63 1 0 17.54 -999 ? CL CL B 196 >ASP~B 152 41.60 88.00 57.36 42.95 86.39 57.35 42.28 87.20 57.35 2 0 18.25 -999 ? CL CL B 196 >ALA~B 153 38.91 91.35 55.90 39.49 92.57 55.16 39.20 91.96 55.53 2 0 21.16 -999 ? CL CL B 196 >MET?B 154 36.32 89.97 53.51 37.65 89.14 49.54 36.98 89.55 51.53 2 0 18.03 -999 ? CL CL B 196 >LYS~B 155 35.60 86.97 55.75 38.32 82.12 57.72 36.96 84.55 56.74 2 0 12.15 -999 ? CL CL B 196 >ALA~B 156 34.98 89.23 58.72 36.02 90.07 59.43 35.50 89.65 59.08 2 0 18.13 -999 ? CL CL B 196 >LYS~B 157 32.75 91.65 56.88 34.24 96.94 54.51 33.50 94.29 55.70 2 0 23.74 -999 ? CL CL B 196 >LEU~B 158 31.13 87.77 54.44 29.91 86.83 52.89 30.52 87.30 53.66 3 0 13.81 -999 ? CL CL B 196 >LYS~B 159 30.27 87.07 58.72 34.99 83.26 60.36 32.63 85.17 59.54 2 0 12.18 -999 ? CL CL B 196 >ALA~B 160 29.30 90.42 60.19 30.31 91.54 60.52 29.81 90.98 60.36 2 0 18.91 -999 ? CL CL B 196 >GLY.B 161 26.47 90.79 57.62 27.14 91.12 57.42 26.80 90.96 57.52 1 0 17.90 -999 ? CL CL B 196 >ALA.B 162 28.00 93.06 54.96 29.48 93.29 54.72 28.74 93.17 54.84 2 0 19.77 -999 ? CL CL B 196 >PRO.B 163 26.30 95.53 51.84 26.74 93.36 52.08 26.52 94.45 51.96 3 0 21.42 -999 ? CL CL B 196 >LEU^B 164 27.34 89.01 49.43 28.73 87.39 48.90 28.03 88.20 49.16 3 0 15.84 -999 ? CL CL B 196 >SER^B 165 27.24 91.15 45.27 26.66 93.45 45.65 26.95 92.30 45.46 2 0 21.63 -999 ? O2 GOL B 194 >ILE^B 166 27.17 87.59 42.33 26.64 86.38 41.96 26.91 86.98 42.15 3 0 16.60 -999 ? O2 GOL B 194 >GLY^B 167 28.43 89.85 38.54 28.94 89.26 38.76 28.69 89.56 38.65 1 0 14.03 -999 ? O2 GOL B 194 >CYH^B 168 30.09 88.84 35.27 30.13 86.78 33.38 30.11 87.81 34.32 2 0 9.28 -999 ? O2 GOL B 194 >ASP^B 169 33.39 91.62 33.50 35.14 90.61 34.12 34.26 91.12 33.81 2 0 14.16 -999 ? O2 GOL B 194 >HIS^B 170 32.23 85.82 29.08 32.53 84.60 27.39 32.38 85.21 28.24 3 0 7.50 -999 ? C1 GOL B 194 >PRO.B 171 34.70 89.11 26.37 32.66 89.42 27.27 33.68 89.27 26.82 3 0 8.89 -999 ? C1 GOL B 194 >HIS.B 172 30.26 86.40 23.67 31.06 86.56 21.74 30.66 86.48 22.71 3 0 -4.58 -999 ? C1 GOL B 194s >TYR^B 173 26.40 86.30 30.35 24.00 85.78 31.71 25.20 86.04 31.03 3 0 5.36 -999 ? O2 GOL B 194 >PRO^B 174 27.82 92.32 28.61 28.19 90.85 30.27 28.01 91.58 29.44 3 0 7.98 -999 ? O2 GOL B 194 >ILE^B 175 25.53 90.29 34.45 24.00 90.19 34.15 24.76 90.24 34.30 3 0 9.97 -999 ? O2 GOL B 194 >GLN^B 176 26.07 96.83 37.42 25.05 98.73 37.15 25.56 97.78 37.28 2 0 17.74 -999 ? O2 GOL B 194 >ALA^B 177 27.15 93.38 39.99 28.28 93.89 40.92 27.71 93.64 40.46 2 0 17.80 -999 ? O2 GOL B 194 >ALA^B 178 23.85 92.81 41.79 22.73 92.18 40.96 23.29 92.49 41.38 2 0 16.93 -999 ? O2 GOL B 194 >ARG^B 179 22.94 94.13 48.94 22.85 94.31 52.02 22.89 94.22 50.48 2 0 22.22 -999 ? CL CL B 196 >ILE.B 180 23.81 87.67 46.97 24.63 86.51 46.81 24.22 87.09 46.89 3 0 16.79 -999 ? CL CL B 196 >ASP~B 181 18.70 86.81 48.54 17.37 86.21 50.12 18.04 86.51 49.33 2 0 18.65 -999 ? CL CL B 196 >PRO~B 182 19.13 90.57 52.47 20.28 88.75 51.84 19.71 89.66 52.15 3 0 19.44 -999 ? CL CL B 196 >ASP~B 183 17.88 84.73 53.38 16.43 85.71 54.58 17.16 85.22 53.98 2 0 18.42 -999 ? CL CL B 196 >VAL~B 184 21.52 83.61 50.98 21.31 83.10 48.85 21.41 83.35 49.91 3 0 14.07 -999 ? CL CL B 196 >ALA~B 185 24.51 85.80 51.98 24.59 87.34 51.94 24.55 86.57 51.96 2 0 15.18 -999 ? CL CL B 196 >ALA~B 186 23.94 84.75 55.63 22.62 84.94 56.42 23.28 84.84 56.03 2 0 13.82 -999 ? CL CL B 196 >SER~B 187 24.03 81.07 54.63 23.33 78.99 53.65 23.68 80.03 54.14 2 0 8.88 -999 ? CL CL B 196 >LEU~B 188 27.41 82.46 51.43 26.32 82.05 49.53 26.87 82.25 50.48 3 0 10.28 -999 ? CL CL B 196 >ALA~B 189 28.92 83.23 55.69 28.41 84.42 56.44 28.66 83.82 56.07 2 0 11.17 -999 ? CL CL B 196 >GLY~B 190 28.32 80.07 57.72 28.74 80.13 57.03 28.53 80.10 57.37 1 0 7.44 -999 ? CL CL B 196 >ASP.B 191 30.72 78.34 53.85 28.94 77.71 52.92 29.83 78.03 53.38 2 0 4.75 -999 ? CL CL B 196 >LEU.B 192 33.52 81.88 56.50 33.54 82.83 54.57 33.53 82.36 55.54 3 0 9.44 -999 ? CL CL B 196 >ASP.B 193 36.68 78.10 59.63 38.58 78.66 58.87 37.63 78.38 59.25 2 0 10.61 -999 ? CL CL B 196