REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-MAY-06 2GUK COMPND HYPOTHETICAL PROTEIN PG1857; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; SOURCE 3 ORGANISM_TAXID: 242619; SOURCE 4 STRAIN: W83; SOURCE 5 GENE: PG1587, GENEID:2551814; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.KIM,P.QUARTEY,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 14 8 HET MSE A 27 8 HET MSE A 72 8 HET MSE A 98 8 HET MSE B 14 8 HET MSE B 27 8 HET MSE B 72 8 HET MSE B 98 8 SSBOND 1 CYS A 68 CYS B 104 1555 1555 2.09 SSBOND 2 CYS A 71 CYS B 107 1555 1555 2.04 SSBOND 3 CYS A 104 CYS B 68 1555 1555 2.09 SSBOND 4 CYS A 107 CYS B 71 1555 1555 2.07 >GLN.A 4 14.88 40.21 115.70 13.10 39.08 115.33 13.99 39.65 115.52 2 0 1000.00 -999 ? >THR.A 5 15.16 41.46 119.36 13.67 40.16 120.27 14.41 40.81 119.81 2 0 1000.00 -999 ? >LEU.A 6 18.46 38.16 118.15 17.49 36.97 116.69 17.98 37.56 117.42 3 0 1000.00 -999 ? >ASN~A 7 22.48 39.14 121.45 22.91 37.12 120.87 22.69 38.13 121.16 2 0 1000.00 -999 ? >SER~A 8 24.71 41.08 118.08 26.79 41.54 119.32 25.75 41.31 118.70 2 0 1000.00 -999 ? >ASP~A 9 26.42 36.56 119.04 28.19 36.99 120.10 27.30 36.77 119.57 2 0 1000.00 -999 ? >LEU~A 10 21.58 35.89 117.56 21.07 33.94 118.59 21.32 34.92 118.07 3 0 1000.00 -999 ? >ARG~A 11 21.18 42.74 115.43 22.03 45.33 114.03 21.60 44.04 114.73 2 0 1000.00 -999 ? >VAL~A 12 25.59 38.22 112.68 27.68 38.76 113.07 26.63 38.49 112.88 3 0 1000.00 -999 ? >PHE~A 13 23.75 32.44 113.90 22.82 29.86 113.37 23.28 31.15 113.64 3 0 1000.00 -999 ? >MET?A 14 21.35 35.41 110.94 18.77 33.80 112.50 20.06 34.60 111.72 2 0 1000.00 -999 ? >HIS~A 15 24.65 39.70 108.17 25.31 41.03 106.70 24.98 40.36 107.43 3 0 1000.00 -999 ? >HIS~A 16 27.76 34.72 109.15 29.59 35.73 109.36 28.68 35.23 109.25 3 0 1000.00 -999 ? >ILE~A 17 21.39 32.24 108.20 20.47 31.30 108.85 20.93 31.77 108.52 3 0 1000.00 -999 ? >TYR~A 18 20.01 36.70 105.88 18.05 36.96 107.90 19.03 36.83 106.89 3 0 1000.00 -999 ? >GLU~A 19 26.81 36.68 103.97 28.69 36.80 104.95 27.75 36.74 104.46 2 0 1000.00 -999 ? >PHE~A 20 24.81 28.90 103.44 24.58 26.27 102.45 24.70 27.59 102.94 3 0 1000.00 -999 ? >GLU~A 21 19.80 30.88 103.21 18.05 31.40 104.32 18.92 31.14 103.77 2 0 1000.00 -999 ? >LYS~A 22 22.53 34.19 98.87 20.03 39.13 101.82 21.28 36.66 100.35 2 0 1000.00 -999 ? >GLY~A 23 25.53 31.94 97.92 25.63 32.68 98.21 25.58 32.31 98.07 1 0 1000.00 -999 ? >VAL.A 24 28.23 34.44 98.89 28.21 36.33 100.06 28.22 35.39 99.48 3 0 1000.00 -999 ? >ARG.A 25 29.63 33.19 103.95 31.91 34.16 105.73 30.77 33.67 104.84 2 0 1000.00 -999 ? >SER.A 26 30.10 27.85 101.01 32.31 27.01 100.44 31.21 27.43 100.73 2 0 1000.00 -999 ? >MET?A 27 30.68 27.74 104.77 33.18 24.99 106.76 31.93 26.36 105.77 2 0 1000.00 -999 ? >VAL.A 28 30.28 29.89 107.83 28.68 31.39 108.01 29.48 30.64 107.92 3 0 1000.00 -999 ? >LEU.A 29 33.48 29.58 111.49 34.25 29.18 113.56 33.86 29.38 112.53 3 0 1000.00 -999 ? >ALA.A 30 29.82 31.12 114.04 28.30 31.20 113.93 29.06 31.16 113.98 2 0 1000.00 -999 ? >THR.A 31 31.00 31.17 117.65 33.06 31.00 118.26 32.03 31.09 117.96 2 0 1000.00 -999 ? >LEU.A 32 26.82 30.90 119.50 25.68 31.78 117.91 26.25 31.34 118.70 3 0 1000.00 -999 ? >ALA.A 33 27.35 31.26 123.82 26.68 32.36 124.64 27.01 31.81 124.23 2 0 1000.00 -999 ? >ASN.A 34 26.63 26.98 125.86 28.62 26.35 125.48 27.63 26.66 125.67 2 0 1000.00 -999 ? >ASP.A 35 22.25 30.35 126.79 22.86 30.02 128.78 22.56 30.19 127.79 2 0 1000.00 -999 ? >ASP~A 36 23.05 31.70 121.75 22.61 33.55 122.67 22.83 32.63 122.21 2 0 1000.00 -999 ? >ILE~A 37 23.98 26.13 120.99 24.88 25.96 119.82 24.43 26.05 120.41 3 0 1000.00 -999 ? >PRO~A 38 19.79 25.61 123.18 20.04 26.05 120.95 19.92 25.83 122.07 3 0 1000.00 -999 ? >TYR~A 39 17.21 31.16 118.56 15.73 32.90 116.93 16.47 32.03 117.74 3 0 1000.00 -999 ? >ALA~A 40 20.78 28.73 116.38 22.25 28.94 116.65 21.51 28.84 116.51 2 0 1000.00 -999 ? >GLU~A 41 22.16 23.84 116.90 22.75 22.19 118.09 22.45 23.01 117.50 2 0 1000.00 -999 ? >GLU~A 42 15.15 25.17 117.43 14.88 26.10 119.34 15.02 25.63 118.39 2 0 1000.00 -999 ? >ARG~A 43 16.09 31.28 113.57 13.87 29.51 114.72 14.98 30.39 114.14 2 0 1000.00 -999 ? >LEU~A 44 20.85 25.61 111.28 22.69 26.95 111.30 21.77 26.28 111.29 3 0 1000.00 -999 ? >ARG~A 45 17.34 20.32 113.75 17.85 21.18 116.66 17.60 20.75 115.21 2 0 1000.00 -999 ? >SER~A 46 14.28 25.07 109.82 12.60 26.77 109.96 13.44 25.92 109.89 2 0 1000.00 -999 ? >ARG~A 47 17.14 30.03 107.54 15.60 32.69 107.28 16.37 31.36 107.41 2 0 1000.00 -999 ? >GLN.A 48 15.36 21.86 105.42 13.89 21.96 103.89 14.63 21.91 104.66 2 0 1000.00 -999 ? >ILE.A 49 21.46 25.61 106.86 21.76 26.95 106.62 21.61 26.28 106.74 3 0 1000.00 -999 ? >PRO.A 50 23.73 21.02 105.00 23.27 21.89 107.01 23.50 21.46 106.01 3 0 1000.00 -999 ? >TYR^A 51 24.08 22.47 112.30 22.16 21.21 113.92 23.12 21.84 113.11 3 0 1000.00 -999 ? >PHE^A 52 30.88 19.66 112.59 32.88 18.20 113.89 31.88 18.93 113.24 3 0 1000.00 -999 ? >ALA^A 53 28.94 22.01 116.32 27.76 21.99 117.31 28.35 22.00 116.81 2 0 1000.00 -999 ? >GLN^A 54 34.28 21.76 116.88 35.93 20.35 116.69 35.11 21.05 116.79 2 0 1000.00 -999 ? >PRO.A 55 34.54 20.78 121.97 33.53 22.58 121.05 34.03 21.68 121.51 3 0 1000.00 -999 ? >THR.A 56 36.12 25.90 122.10 35.20 27.83 121.59 35.66 26.86 121.85 2 0 1000.00 -999 ? >PRO.A 57 40.25 27.49 122.11 38.73 26.79 123.62 39.49 27.14 122.86 3 0 1000.00 -999 ? >ASN.A 58 36.77 30.75 125.43 38.70 31.75 125.67 37.73 31.25 125.55 2 0 1000.00 -999 ? >THR.A 59 34.44 26.78 127.63 35.74 26.36 129.36 35.09 26.57 128.49 2 0 1000.00 -999 ? >GLU.A 60 30.38 29.09 130.19 29.42 30.53 131.48 29.90 29.81 130.83 2 0 1000.00 -999 ? >ARG^A 61 31.73 32.57 123.07 29.68 34.79 122.46 30.71 33.68 122.76 2 0 1000.00 -999 ? >THR^A 62 30.53 26.63 120.93 29.02 25.05 121.11 29.77 25.84 121.02 2 0 1000.00 -999 ? >ASN^A 63 33.26 26.35 116.87 34.91 27.57 117.50 34.09 26.96 117.19 2 0 1000.00 -999 ? >LEU^A 64 27.63 26.83 115.37 25.66 25.86 115.18 26.65 26.34 115.27 3 0 1000.00 -999 ? >PHE^A 65 32.53 24.79 111.55 35.10 25.16 112.64 33.82 24.97 112.10 3 0 1000.00 -999 ? >PHE^A 66 25.86 27.59 109.19 25.56 30.38 109.09 25.71 28.99 109.14 3 0 1000.00 -999 ? >GLY^A 67 27.19 25.41 104.95 26.89 24.67 105.27 27.04 25.04 105.11 1 0 1000.00 -999 ? >CSS~A 68 26.98 22.92 102.08 29.50 23.16 100.61 28.24 23.04 101.34 2 0 1000.00 -999 ? >LYS~A 69 26.92 19.27 103.15 24.46 15.57 99.24 25.69 17.42 101.20 2 0 1000.00 -999 ? >GLU~A 70 29.68 18.50 98.59 27.76 19.27 98.33 28.72 18.88 98.46 2 0 1000.00 -999 ? >CSS~A 71 32.21 21.02 103.30 32.92 23.02 101.42 32.56 22.02 102.36 2 0 1000.00 -999 ? >MET?A 72 30.46 19.80 106.52 28.91 22.19 108.35 29.69 20.99 107.43 2 0 1000.00 -999 ? >GLU~A 73 30.41 14.58 104.39 30.22 13.38 102.65 30.32 13.98 103.52 2 0 1000.00 -999 ? >ALA~A 74 35.29 17.81 104.84 35.59 18.86 103.74 35.44 18.33 104.29 2 0 1000.00 -999 ? >ILE~A 75 35.01 21.09 108.62 34.15 22.23 108.46 34.58 21.66 108.54 3 0 1000.00 -999 ? >ARG~A 76 31.54 14.92 111.53 29.56 14.06 109.34 30.55 14.49 110.44 2 0 1000.00 -999 ? >LEU~A 77 37.53 14.82 107.23 38.54 13.52 105.89 38.04 14.17 106.56 3 0 1000.00 -999 ? >PHE~A 78 40.56 19.21 108.04 39.75 21.57 106.77 40.16 20.39 107.41 3 0 1000.00 -999 ? >VAL~A 79 38.65 19.73 112.53 37.93 21.79 112.15 38.29 20.76 112.34 3 0 1000.00 -999 ? >SER~A 80 36.88 17.16 114.78 35.40 15.90 113.29 36.14 16.53 114.03 2 0 1000.00 -999 ? >GLY.A 81 38.46 17.10 118.25 38.65 17.64 117.69 38.55 17.37 117.97 1 0 1000.00 -999 ? >ARG.A 82 42.80 17.74 114.30 44.72 18.80 112.14 43.76 18.27 113.22 2 0 1000.00 -999 ? >SER~A 83 41.62 23.39 117.88 42.76 25.36 118.71 42.19 24.38 118.30 2 0 1000.00 -999 ? >LEU~A 84 40.50 26.78 114.56 38.64 26.48 113.47 39.57 26.63 114.01 3 0 1000.00 -999 ? >ASN~A 85 45.17 27.74 117.23 43.87 29.42 117.43 44.52 28.58 117.33 2 0 1000.00 -999 ? >SER~A 86 46.61 23.52 115.62 44.96 21.75 115.98 45.78 22.64 115.80 2 0 1000.00 -999 ? >LEU~A 87 44.86 23.78 111.12 42.80 23.04 111.52 43.83 23.41 111.32 3 0 1000.00 -999 ? >THR~A 88 48.80 22.85 109.17 48.68 20.91 108.19 48.74 21.88 108.68 2 0 1000.00 -999 ? >PRO~A 89 51.64 25.51 107.23 49.41 25.22 107.20 50.53 25.36 107.21 3 0 1000.00 -999 ? >GLU~A 90 49.34 22.32 102.84 51.12 22.46 104.03 50.23 22.39 103.43 2 0 1000.00 -999 ? >GLU~A 91 44.72 20.68 107.53 45.21 19.52 109.23 44.97 20.10 108.38 2 0 1000.00 -999 ? >ASP~A 92 45.69 27.41 107.73 45.19 28.56 109.38 45.44 27.99 108.56 2 0 1000.00 -999 ? >PHE~A 93 45.11 27.70 101.08 44.83 28.78 98.50 44.97 28.24 99.79 3 0 1000.00 -999 ? >ILE~A 94 41.62 23.51 103.25 41.63 22.15 102.82 41.62 22.83 103.03 3 0 1000.00 -999 ? >ILE~A 95 39.90 26.44 107.42 38.65 26.03 108.22 39.28 26.23 107.82 3 0 1000.00 -999 ? >GLY~A 96 39.87 29.94 104.71 39.64 29.25 104.30 39.76 29.60 104.51 1 0 1000.00 -999 ? >ALA~A 97 38.94 28.93 101.16 39.65 27.94 100.28 39.30 28.44 100.72 2 0 1000.00 -999 ? >MET?A 98 35.81 27.18 102.49 36.42 23.30 104.31 36.12 25.24 103.40 2 0 1000.00 -999 ? >LEU~A 99 35.58 30.83 105.72 35.29 29.98 107.74 35.44 30.41 106.73 3 0 1000.00 -999 ? >GLY.A 100 34.90 32.41 101.24 35.58 32.43 101.68 35.24 32.42 101.46 1 0 1000.00 -999 ? >TYR.A 101 38.80 33.83 104.26 37.97 33.86 106.98 38.38 33.85 105.62 3 0 1000.00 -999 ? >ASP~A 102 40.35 37.07 98.49 41.41 37.42 96.73 40.88 37.24 97.61 2 0 1000.00 -999 ? >ILE~A 103 42.00 31.93 96.01 41.79 30.61 96.68 41.89 31.27 96.35 3 0 1000.00 -999 ? >CSS~A 104 45.13 35.37 96.45 44.96 35.86 93.75 45.04 35.61 95.10 2 0 1000.00 -999 ? >ARG~A 105 42.97 37.14 103.18 43.73 36.22 106.02 43.35 36.68 104.60 2 0 1000.00 -999 ? >GLN~A 106 42.63 32.06 101.49 42.80 32.25 103.63 42.71 32.16 102.56 2 0 1000.00 -999 ? >CSS~A 107 48.15 32.36 99.01 47.35 31.40 96.50 47.75 31.88 97.76 2 0 1000.00 -999 ? >GLU~A 108 50.46 37.69 101.36 49.77 39.70 101.24 50.11 38.70 101.30 2 0 1000.00 -999 ? >ARG~A 109 46.27 34.49 106.65 46.88 33.57 109.53 46.57 34.03 108.09 2 0 1000.00 -999 ? >TYR~A 110 50.26 28.37 101.87 51.47 25.88 101.46 50.86 27.12 101.67 3 0 1000.00 -999 ? >CYH~A 111 53.51 31.99 102.13 53.46 32.37 99.41 53.48 32.18 100.77 2 0 1000.00 -999 ? >ARG~A 112 51.94 37.19 105.67 50.82 40.00 105.01 51.38 38.59 105.34 2 0 1000.00 -999 ? >ARG~A 113 49.92 31.02 109.50 47.83 29.98 107.51 48.88 30.50 108.50 2 0 1000.00 -999 ? >LYS~A 114 55.30 28.62 104.99 54.06 23.02 104.56 54.68 25.82 104.77 2 0 1000.00 -999 ? >LEU.B 6 49.46 31.17 66.64 48.60 31.99 68.47 49.03 31.58 67.55 3 0 1000.00 -999 ? >ASN~B 7 50.54 25.27 67.19 51.19 25.40 69.24 50.87 25.33 68.21 2 0 1000.00 -999 ? >SER~B 8 46.42 24.86 68.64 44.68 23.23 69.31 45.55 24.04 68.97 2 0 1000.00 -999 ? >ASP~B 9 49.31 24.05 72.52 49.20 21.95 72.98 49.26 23.00 72.75 2 0 1000.00 -999 ? >LEU~B 10 50.01 28.92 70.93 52.04 29.16 71.59 51.02 29.04 71.26 3 0 1000.00 -999 ? >ARG~B 11 44.50 29.14 66.52 43.86 26.32 65.43 44.18 27.73 65.97 2 0 1000.00 -999 ? >VAL~B 12 44.09 28.00 73.49 43.44 25.93 73.84 43.76 26.97 73.67 3 0 1000.00 -999 ? >PHE~B 13 49.00 30.36 76.46 50.57 32.12 77.96 49.79 31.24 77.21 3 0 1000.00 -999 ? >MET?B 14 45.76 33.03 74.45 48.49 34.62 73.54 47.12 33.83 73.99 2 0 1000.00 -999 ? >HIS~B 15 39.87 31.28 75.04 37.86 31.44 75.62 38.86 31.36 75.33 3 0 1000.00 -999 ? >HIS~B 16 43.82 29.18 79.12 43.11 27.24 78.76 43.46 28.21 78.94 3 0 1000.00 -999 ? >ILE~B 17 46.12 35.52 78.04 47.39 36.11 77.73 46.75 35.82 77.88 3 0 1000.00 -999 ? >TYR~B 18 41.91 36.75 75.42 43.52 36.98 73.11 42.72 36.87 74.26 3 0 1000.00 -999 ? >GLU~B 19 38.83 33.19 79.53 37.40 31.68 79.82 38.12 32.44 79.67 2 0 1000.00 -999 ? >PHE~B 20 44.72 36.06 84.66 46.01 37.16 86.88 45.36 36.61 85.77 3 0 1000.00 -999 ? >GLU~B 21 44.17 39.95 80.56 44.43 40.56 78.56 44.30 40.26 79.56 2 0 1000.00 -999 ? >LYS~B 22 38.65 39.77 82.89 36.92 38.71 76.95 37.78 39.24 79.92 2 0 1000.00 -999 ? >GLY.B 23 39.22 38.17 86.32 38.80 37.78 85.77 39.01 37.97 86.04 1 0 1000.00 -999 ? >VAL.B 24 37.47 34.79 85.85 36.70 33.73 84.07 37.09 34.26 84.96 3 0 1000.00 -999 ? >ARG.B 25 40.83 31.02 85.17 41.12 28.01 84.77 40.98 29.52 84.97 2 0 1000.00 -999 ? >SER.B 26 43.21 33.86 90.13 42.27 34.93 92.12 42.74 34.39 91.12 2 0 1000.00 -999 ? >MET?B 27 45.42 31.24 88.44 48.19 28.72 90.49 46.81 29.98 89.47 2 0 1000.00 -999 ? >VAL.B 28 45.61 29.26 85.22 44.99 30.11 83.28 45.30 29.68 84.25 3 0 1000.00 -999 ? >LEU.B 29 47.55 24.86 85.14 49.08 23.28 85.23 48.32 24.07 85.19 3 0 1000.00 -999 ? >ALA.B 30 48.66 25.72 80.68 48.78 26.92 79.77 48.72 26.32 80.22 2 0 1000.00 -999 ? >THR.B 31 50.66 22.79 79.40 50.73 20.79 80.14 50.70 21.79 79.77 2 0 1000.00 -999 ? >LEU.B 32 53.01 25.17 76.21 51.61 26.84 75.97 52.31 26.01 76.09 3 0 1000.00 -999 ? >ALA.B 33 55.59 22.33 74.25 55.55 22.25 72.74 55.57 22.29 73.50 2 0 1000.00 -999 ? >ASN.B 34 60.21 22.65 75.72 60.07 21.41 77.42 60.14 22.03 76.57 2 0 1000.00 -999 ? >ASP.B 35 59.48 24.52 70.82 61.39 23.72 70.33 60.43 24.12 70.58 2 0 1000.00 -999 ? >ASP~B 36 54.89 26.74 72.49 54.65 25.90 70.55 54.77 26.32 71.52 2 0 1000.00 -999 ? >ILE~B 37 57.94 27.72 77.30 57.13 27.74 78.52 57.53 27.73 77.91 3 0 1000.00 -999 ? >PRO~B 38 61.08 30.14 74.44 59.17 30.92 75.32 60.13 30.53 74.88 3 0 1000.00 -999 ? >TYR~B 39 54.74 33.13 71.29 52.58 34.51 70.25 53.66 33.82 70.77 3 0 1000.00 -999 ? >ALA~B 40 53.87 32.22 75.86 53.56 30.85 76.44 53.72 31.53 76.15 2 0 1000.00 -999 ? >GLU~B 41 57.25 32.08 79.74 59.11 31.43 80.55 58.18 31.75 80.14 2 0 1000.00 -999 ? >GLU~B 42 57.37 38.43 74.39 58.10 38.40 72.46 57.73 38.42 73.42 2 0 1000.00 -999 ? >ARG~B 43 51.61 36.98 72.81 54.26 38.48 72.48 52.94 37.73 72.64 2 0 1000.00 -999 ? >LEU~B 44 52.76 35.99 80.60 51.40 34.28 80.94 52.08 35.14 80.77 3 0 1000.00 -999 ? >ARG~B 45 58.94 38.91 80.67 59.58 37.01 78.34 59.26 37.96 79.50 2 0 1000.00 -999 ? >SER~B 46 53.60 42.25 77.77 52.03 41.09 76.33 52.81 41.67 77.05 2 0 1000.00 -999 ? >ARG~B 47 48.12 39.99 78.25 48.02 39.87 75.19 48.07 39.93 76.72 2 0 1000.00 -999 ? >GLN.B 48 53.50 44.41 83.70 52.81 46.34 83.16 53.15 45.38 83.43 2 0 1000.00 -999 ? >ILE.B 49 49.96 37.98 83.40 48.74 37.51 82.94 49.35 37.74 83.17 3 0 1000.00 -999 ? >PRO.B 50 51.77 38.25 88.52 52.44 37.37 86.58 52.10 37.81 87.55 3 0 1000.00 -999 ? >TYR^B 51 55.23 33.89 83.75 57.49 35.07 82.55 56.36 34.48 83.15 3 0 1000.00 -999 ? >PHE^B 52 56.39 28.66 88.87 58.01 26.54 89.75 57.20 27.60 89.31 3 0 1000.00 -999 ? >ALA^B 53 57.07 27.65 84.45 57.94 27.99 83.21 57.50 27.82 83.83 2 0 1000.00 -999 ? >GLN^B 54 57.13 22.46 87.54 55.51 21.27 88.34 56.32 21.87 87.94 2 0 1000.00 -999 ? >PRO^B 55 61.15 23.35 83.01 59.21 22.31 83.46 60.18 22.83 83.23 3 0 1000.00 -999 ? >THR.B 56 58.08 18.18 83.08 56.05 17.43 82.87 57.07 17.80 82.97 2 0 1000.00 -999 ? >PRO.B 57 60.22 15.54 85.65 60.60 16.35 83.56 60.41 15.95 84.61 3 0 1000.00 -999 ? >ASN.B 58 60.07 11.71 81.62 61.45 11.03 83.11 60.76 11.37 82.36 2 0 1000.00 -999 ? >THR.B 59 58.75 15.13 78.23 56.58 14.95 78.45 57.67 15.04 78.34 2 0 1000.00 -999 ? >GLU.B 60 61.09 17.96 74.14 61.51 15.99 73.65 61.30 16.98 73.89 2 0 1000.00 -999 ? >ARG^B 61 53.27 18.01 76.22 51.64 20.35 74.97 52.46 19.18 75.60 2 0 1000.00 -999 ? >THR^B 62 56.22 22.51 80.43 57.80 24.03 80.52 57.01 23.27 80.47 2 0 1000.00 -999 ? >ASN^B 63 53.27 22.71 84.28 52.25 20.84 84.12 52.76 21.78 84.20 2 0 1000.00 -999 ? >LEU^B 64 53.05 27.92 81.40 53.74 30.05 81.28 53.39 28.98 81.34 3 0 1000.00 -999 ? >PHE^B 65 51.49 26.85 87.47 51.36 24.14 88.17 51.42 25.49 87.82 3 0 1000.00 -999 ? >PHE^B 66 49.00 32.72 83.36 46.87 32.49 81.63 47.93 32.60 82.50 3 0 1000.00 -999 ? >GLY^B 67 47.96 34.33 87.89 48.78 34.57 87.95 48.37 34.45 87.92 1 0 1000.00 -999 ? >CSS~B 68 48.24 36.66 90.85 46.85 35.44 92.98 47.55 36.05 91.91 2 0 1000.00 -999 ? >LYS~B 69 51.76 37.06 92.27 56.62 40.61 94.29 54.19 38.84 93.28 2 0 1000.00 -999 ? >GLU~B 70 49.58 37.81 96.85 48.63 38.99 95.33 49.10 38.40 96.09 2 0 1000.00 -999 ? >CSS~B 71 49.68 32.40 94.22 46.93 32.35 94.72 48.31 32.38 94.47 2 0 1000.00 -999 ? >MET?B 72 52.82 32.22 92.07 52.00 31.87 88.93 52.41 32.04 90.50 2 0 1000.00 -999 ? >GLU~B 73 56.12 34.28 96.70 56.70 33.59 98.61 56.41 33.93 97.65 2 0 1000.00 -999 ? >ALA~B 74 52.62 29.89 96.92 51.13 30.04 97.31 51.87 29.97 97.12 2 0 1000.00 -999 ? >ILE~B 75 51.89 27.37 92.78 51.41 27.01 91.64 51.65 27.19 92.21 3 0 1000.00 -999 ? >ARG~B 76 58.39 30.68 92.72 58.39 32.21 90.00 58.39 31.45 91.36 2 0 1000.00 -999 ? >LEU~B 77 56.10 27.29 99.11 57.07 29.10 99.79 56.58 28.19 99.45 3 0 1000.00 -999 ? >PHE~B 78 52.56 23.49 97.59 50.26 24.61 96.50 51.41 24.05 97.05 3 0 1000.00 -999 ? >VAL~B 79 54.94 22.35 93.53 53.40 22.66 91.96 54.17 22.51 92.75 3 0 1000.00 -999 ? >SER~B 80 58.65 23.05 92.86 59.13 25.36 93.35 58.89 24.20 93.10 2 0 1000.00 -999 ? >GLY.B 81 60.37 19.87 91.62 59.61 19.88 91.85 59.99 19.87 91.73 1 0 1000.00 -999 ? >ARG.B 82 56.59 18.32 96.02 54.01 17.74 97.58 55.30 18.03 96.80 2 0 1000.00 -999 ? >SER~B 83 54.79 15.85 90.09 54.04 14.05 88.65 54.42 14.95 89.37 2 0 1000.00 -999 ? >LEU~B 84 50.57 18.05 89.03 50.40 20.20 88.86 50.49 19.13 88.94 3 0 1000.00 -999 ? >ASN~B 85 49.75 12.74 89.29 51.59 12.52 88.25 50.67 12.63 88.77 2 0 1000.00 -999 ? >SER~B 86 51.87 13.22 93.65 54.03 14.28 94.05 52.95 13.75 93.85 2 0 1000.00 -999 ? >LEU~B 87 49.39 17.19 94.97 50.43 18.92 94.12 49.91 18.06 94.54 3 0 1000.00 -999 ? >THR~B 88 48.28 15.22 98.88 49.38 16.14 100.54 48.83 15.68 99.71 2 0 1000.00 -999 ? >PRO~B 89 44.52 13.39 100.04 45.16 15.33 99.09 44.84 14.36 99.57 3 0 1000.00 -999 ? >GLU~B 90 45.14 18.48 103.39 45.33 16.36 103.53 45.24 17.42 103.46 2 0 1000.00 -999 ? >GLU~B 91 49.97 19.89 98.92 51.61 18.56 98.85 50.79 19.22 98.88 2 0 1000.00 -999 ? >ASP~B 92 44.59 17.73 95.22 45.56 16.85 93.55 45.08 17.29 94.38 2 0 1000.00 -999 ? >PHE~B 93 40.56 21.75 99.11 38.37 23.34 99.85 39.47 22.55 99.48 3 0 1000.00 -999 ? >ILE~B 94 45.84 24.13 98.12 46.74 24.53 99.10 46.29 24.33 98.61 3 0 1000.00 -999 ? >ILE~B 95 46.15 22.61 92.99 47.38 23.18 92.54 46.76 22.89 92.76 3 0 1000.00 -999 ? >GLY~B 96 41.80 23.49 92.55 42.15 24.03 93.03 41.98 23.76 92.79 1 0 1000.00 -999 ? >ALA~B 97 40.76 26.45 94.70 40.86 26.55 96.24 40.81 26.50 95.47 2 0 1000.00 -999 ? >MET?B 98 43.56 28.63 93.16 47.63 27.99 94.32 45.60 28.31 93.74 2 0 1000.00 -999 ? >LEU~B 99 42.40 26.04 89.28 44.42 25.41 88.45 43.40 25.73 88.86 3 0 1000.00 -999 ? >GLY.B 100 38.85 28.89 90.52 38.96 28.13 90.66 38.91 28.51 90.59 1 0 1000.00 -999 ? >TYR.B 101 38.43 23.84 90.20 40.14 23.07 88.14 39.29 23.45 89.17 3 0 1000.00 -999 ? >ASP~B 102 32.44 25.19 92.67 30.97 25.30 94.14 31.71 25.24 93.40 2 0 1000.00 -999 ? >ILE~B 103 34.60 26.32 97.93 35.96 26.52 98.20 35.28 26.42 98.06 3 0 1000.00 -999 ? >CSS~B 104 31.81 22.72 97.67 29.76 24.16 98.80 30.78 23.44 98.23 2 0 1000.00 -999 ? >ARG~B 105 34.12 19.43 91.92 36.76 19.54 90.18 35.44 19.49 91.05 2 0 1000.00 -999 ? >GLN~B 106 37.88 22.80 95.11 38.77 21.42 93.76 38.33 22.11 94.43 2 0 1000.00 -999 ? >CSS~B 107 35.14 19.77 99.52 34.61 21.92 101.13 34.87 20.84 100.32 2 0 1000.00 -999 ? >GLU~B 108 32.10 15.36 96.20 30.15 15.07 95.53 31.13 15.22 95.87 2 0 1000.00 -999 ? >ARG~B 109 38.07 17.19 92.49 37.73 15.24 90.10 37.90 16.21 91.30 2 0 1000.00 -999 ? >TYR~B 110 39.53 17.20 101.29 40.90 16.83 103.68 40.21 17.01 102.49 3 0 1000.00 -999 ? >CYH~B 111 36.28 13.78 100.99 34.48 15.27 102.45 35.38 14.53 101.72 2 0 1000.00 -999 ? >ARG~B 112 34.53 10.83 94.83 34.37 8.42 92.93 34.45 9.62 93.88 2 0 1000.00 -999 ? >ARG~B 113 42.71 11.75 96.16 45.21 13.58 96.04 43.96 12.67 96.10 2 0 1000.00 -999 ? >LYS~B 114 40.01 10.77 101.96 44.13 13.42 104.45 42.07 12.09 103.21 2 0 1000.00 -999 ? >SER~B 115 37.28 8.10 101.48 35.42 8.59 99.96 36.35 8.34 100.72 2 0 1000.00 -999 ? >ASN~B 116 38.12 7.19 96.74 36.17 7.00 95.88 37.15 7.09 96.31 2 0 1000.00 -999 ? >SER~B 117 41.41 5.52 99.82 43.73 5.77 100.54 42.57 5.64 100.18 2 0 1000.00 -999 ?