REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-MAY-05 1ZKE COMPND HYPOTHETICAL PROTEIN HP1531; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 GENE: GI:15646139; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,T.SKARINA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MG B 801 1 HET MG C 802 1 HET MG D 803 1 HET MG E 804 1 SITE 1 AC1 3 SER B 29 HOH B 824 HOH B 965 SITE 1 AC2 3 HOH A 116 GLY C 31 HOH C 871 SITE 1 AC3 2 LYS A 74 HOH E 884 >MET~A 1 17.92 48.41 -8.19 20.96 46.02 -9.51 19.44 47.22 -8.85 2 0 7.33 -999 ? MG MG C 802 >PHE~A 2 21.74 51.81 -9.83 23.85 50.74 -11.33 22.80 51.28 -10.58 3 0 7.92 -999 ? MG MG C 802 >GLU~A 3 15.24 54.01 -4.90 13.19 53.47 -4.66 14.22 53.74 -4.78 2 0 10.37 -999 ? MG MG C 802 >LYS~A 4 17.81 49.87 -3.34 13.18 46.77 -4.15 15.50 48.32 -3.74 2 0 10.22 -999 ? MG MG C 802 >ILE~A 5 22.56 49.87 -4.67 23.62 49.25 -5.44 23.09 49.56 -5.06 3 0 11.30 -999 ? MG MG C 802 >ARG~A 6 21.86 56.36 -5.35 22.49 56.41 -8.37 22.17 56.38 -6.86 2 0 11.19 -999 ? MG MG C 802 >LYS~A 7 19.55 53.15 0.50 17.17 54.58 4.99 18.36 53.86 2.74 2 0 19.52 -999 ? MG MG C 802 >ILE~A 8 21.84 48.82 1.05 21.66 47.42 0.97 21.75 48.12 1.01 3 0 15.91 -999 ? MG MG C 802 >LEU~A 9 25.41 52.87 -0.08 26.51 51.90 -1.68 25.96 52.38 -0.88 3 0 16.66 -999 ? MG MG C 802 >ALA~A 10 23.42 55.04 3.36 22.15 55.81 3.07 22.79 55.42 3.22 2 0 19.13 -999 ? MG MG C 802 >ASP~A 11 21.54 51.34 5.93 19.53 52.03 5.88 20.53 51.68 5.91 2 0 20.15 -999 ? MG MG C 802 >ILE~A 12 26.78 50.33 4.72 27.36 49.25 4.03 27.07 49.79 4.37 3 0 21.30 -999 ? MG MG C 802 >GLU~A 13 28.14 56.97 5.95 27.78 58.68 4.73 27.96 57.83 5.34 2 0 23.95 -999 ? MG MG C 802 >ASP~A 14 23.77 55.06 9.38 22.99 56.78 8.42 23.38 55.92 8.90 2 0 24.48 -999 ? MG MG C 802 >SER~A 15 26.15 51.62 10.84 26.14 49.19 11.06 26.15 50.40 10.95 2 0 26.83 -999 ? MG MG C 802 >GLN~A 16 31.11 51.49 8.41 32.39 52.15 6.84 31.75 51.82 7.62 2 0 26.56 -999 ? MG MG C 802 >ASN~A 17 28.67 56.84 11.75 29.45 57.87 10.04 29.06 57.36 10.89 2 0 28.73 -999 ? MG MG C 802 >GLU~A 18 25.11 54.02 14.67 24.38 55.10 16.33 24.74 54.56 15.50 2 0 31.80 -999 ? MG MG C 802 >ILE~A 19 30.61 50.19 14.54 30.64 48.86 14.07 30.62 49.52 14.31 3 0 31.69 -999 ? MG MG C 802 >GLU~A 20 34.40 54.07 13.32 35.23 55.39 11.90 34.82 54.73 12.61 2 0 32.73 -999 ? MG MG C 802 >MET~A 21 31.39 55.90 18.11 28.07 58.41 18.95 29.73 57.15 18.53 2 0 36.09 -999 ? MG MG C 802 >LEU~A 22 29.85 51.69 19.96 27.74 51.40 20.40 28.79 51.54 20.18 3 0 36.37 -999 ? MG MG C 802 >LEU~A 23 35.06 51.26 18.63 35.02 49.24 17.78 35.04 50.25 18.20 3 0 37.27 -999 ? MG MG C 802 >LYS~A 24 35.60 55.21 20.77 35.04 61.44 19.98 35.32 58.33 20.38 2 0 40.68 -999 ? MG MG C 802 >LEU~A 25 31.88 55.26 23.91 30.60 57.01 23.64 31.24 56.13 23.77 3 0 35.40 -999 ? MG MG B 801 >ALA~A 26 34.52 51.73 24.86 34.01 50.45 24.18 34.27 51.09 24.52 2 0 36.54 -999 ? MG MG B 801 >ASN~A 27 38.86 52.98 25.52 40.93 53.52 25.39 39.89 53.25 25.46 2 0 39.55 -999 ? MG MG B 801 >LEU.A 28 37.31 48.55 22.42 37.24 46.57 23.21 37.28 47.56 22.81 3 0 39.82 -999 ? MG MG B 801 >SER~A 29 39.61 48.67 18.52 41.31 46.92 18.38 40.46 47.80 18.45 2 0 41.04 -999 ? MG MG C 802 >LEU~A 30 36.97 47.08 14.71 35.23 46.30 13.64 36.10 46.69 14.17 3 0 34.56 -999 ? MG MG C 802 >GLY~A 31 39.96 44.01 16.02 39.56 44.33 16.67 39.76 44.17 16.35 1 0 38.64 -999 ? MG MG C 802 >ASP~A 32 40.63 44.79 20.80 42.78 44.88 20.84 41.71 44.83 20.82 2 0 44.02 -999 ? MG MG C 802 >PHE~A 33 33.85 44.17 19.51 31.20 43.27 19.69 32.52 43.72 19.60 3 0 37.66 -999 ? MG MG C 802 >ILE~A 34 36.53 40.71 16.14 35.34 40.20 15.42 35.93 40.46 15.78 3 0 36.74 -999 ? MG MG C 802 >GLU~A 35 41.23 39.41 18.28 41.43 37.52 17.36 41.33 38.46 17.82 2 0 41.91 -999 ? MG MG C 802 >ILE~A 36 36.97 40.69 23.55 37.20 41.68 24.47 37.09 41.18 24.01 3 0 40.29 -999 ? MG MG B 801 >LYS~A 37 33.83 38.24 21.44 28.61 39.03 21.19 31.22 38.64 21.31 2 0 38.53 -999 ? MG MG C 802 >ARG~A 38 38.50 35.62 17.71 39.76 34.26 15.26 39.13 34.94 16.49 2 0 40.43 -999 ? MG MG C 802 >GLY.A 39 36.97 34.10 23.23 37.43 34.44 22.66 37.20 34.27 22.94 1 0 43.57 -999 ? MG MG B 801 >SER.A 40 40.61 34.62 22.11 40.47 33.69 19.89 40.54 34.15 21.00 2 0 44.45 -999 ? MG MG C 802 >MET.A 41 41.51 37.82 23.99 42.31 41.71 22.62 41.91 39.76 23.30 2 0 44.26 -999 ? MG MG B 801 >ASP.A 42 41.97 38.46 28.81 42.52 36.47 29.32 42.25 37.46 29.06 2 0 41.68 -999 ? MG MG B 801 >MET.A 43 38.86 41.69 28.40 36.06 43.67 27.76 37.46 42.68 28.08 2 0 36.09 -999 ? MG MG B 801 >PRO.A 44 41.23 44.82 26.49 40.97 43.99 28.56 41.10 44.40 27.53 3 0 39.26 -999 ? MG MG B 801 >LYS.A 45 41.28 46.24 32.15 38.67 46.26 36.11 39.97 46.25 34.13 2 0 31.44 -999 ? MG MG B 801 >GLY.A 46 39.77 49.67 31.67 39.32 48.97 31.50 39.55 49.32 31.58 1 0 34.49 -999 ? MG MG B 801 >VAL.A 47 37.28 48.43 29.10 37.65 47.68 27.07 37.46 48.06 28.09 3 0 35.72 -999 ? MG MG B 801 >ASN~A 48 32.82 49.83 30.25 30.93 49.60 31.20 31.88 49.72 30.72 2 0 29.13 -999 ? MG MG B 801 >GLU~A 49 31.35 43.68 30.97 32.21 44.36 32.79 31.78 44.02 31.88 2 0 29.85 -999 ? MG MG B 801 >ALA~A 50 28.64 46.90 29.25 28.18 47.90 30.32 28.41 47.40 29.79 2 0 28.76 -999 ? MG MG B 801 >PHE~A 51 30.57 50.46 25.75 30.77 53.09 26.69 30.67 51.77 26.22 3 0 32.98 -999 ? MG MG B 801 >PHE~A 52 31.54 43.62 24.73 34.29 43.69 24.21 32.91 43.65 24.47 3 0 37.00 -999 ? MG MG B 801 >THR~A 53 25.63 44.20 23.85 23.97 43.65 25.13 24.80 43.93 24.49 2 0 32.93 -999 ? MG MG B 801 >GLN~A 54 24.62 49.74 21.14 22.54 49.58 20.68 23.58 49.66 20.91 2 0 35.05 -999 ? MG MG C 802 >LEU~A 55 29.79 46.69 20.40 31.46 48.07 20.25 30.63 47.38 20.33 3 0 37.16 -999 ? MG MG C 802 >SER~A 56 27.42 43.19 19.04 28.30 41.79 20.81 27.86 42.49 19.93 2 0 37.44 -999 ? MG MG C 802 >GLU~A 57 22.15 43.87 19.49 20.81 44.70 20.90 21.48 44.29 20.19 2 0 35.26 -999 ? MG MG C 802 >GLU~A 58 26.01 49.43 14.97 24.05 49.72 14.19 25.03 49.57 14.58 2 0 29.10 -999 ? MG MG C 802 >VAL~A 59 28.13 44.72 14.15 30.15 44.00 14.68 29.14 44.36 14.42 3 0 31.49 -999 ? MG MG C 802 >GLU~A 60 25.21 40.30 15.09 26.17 38.92 13.79 25.69 39.61 14.44 2 0 31.12 -999 ? MG MG C 802 >ARG~A 61 21.48 48.34 11.86 19.62 48.97 9.47 20.55 48.65 10.67 2 0 23.50 -999 ? MG MG C 802 >LEU~A 62 27.85 46.33 10.01 29.40 47.29 8.77 28.62 46.81 9.39 3 0 26.51 -999 ? MG MG C 802 >LYS~A 63 26.91 42.20 8.49 28.41 38.01 12.29 27.66 40.10 10.39 2 0 30.97 -999 ? MG MG C 802 >GLU~A 64 21.78 40.94 9.47 20.74 41.43 11.25 21.26 41.19 10.36 2 0 26.59 -999 ? MG MG C 802 >LEU~A 65 23.76 46.54 5.99 22.44 48.04 6.82 23.10 47.29 6.40 3 0 21.47 -999 ? MG MG C 802 >ILE~A 66 27.82 43.59 4.07 29.24 43.84 4.11 28.53 43.72 4.09 3 0 22.54 -999 ? MG MG C 802 >ASN~A 67 24.06 39.62 4.09 23.25 37.84 3.27 23.65 38.73 3.68 2 0 21.72 -999 ? MG MG C 802 >ALA~A 68 21.45 42.50 1.79 20.61 43.45 2.64 21.03 42.97 2.22 2 0 17.98 -999 ? MG MG C 802 >LEU~A 69 24.79 45.35 -0.28 25.69 46.92 -1.48 25.24 46.14 -0.88 3 0 16.19 -999 ? MG MG C 802 >ASN~A 70 25.86 40.25 -1.31 26.74 38.88 -2.65 26.30 39.56 -1.98 2 0 18.63 -999 ? MG MG C 802 >LYS~A 71 21.47 39.88 -2.50 20.91 36.38 1.62 21.19 38.13 -0.44 2 0 20.60 -999 ? MG MG C 802 >ILE~A 72 20.63 44.40 -4.25 19.27 44.72 -4.37 19.95 44.56 -4.31 3 0 11.25 -999 ? MG MG C 802 >LYS~A 73 23.84 42.32 -6.59 28.03 38.96 -5.67 25.94 40.64 -6.13 2 0 17.82 -999 ? MG MG C 802 >LYS~A 74 22.59 38.80 -7.50 22.52 34.84 -2.58 22.55 36.82 -5.04 2 0 -19.33 -999 ? MG MG C 802s >GLY~A 75 20.22 40.62 -9.91 21.04 40.62 -9.90 20.63 40.62 -9.91 1 0 10.33 -999 ? MG MG C 802 >LEU~A 76 24.32 42.77 -11.32 24.05 44.90 -11.02 24.18 43.83 -11.17 3 0 10.22 -999 ? MG MG C 802 >LEU~A 77 24.47 37.04 -11.40 25.67 36.79 -9.62 25.07 36.91 -10.51 3 0 15.66 -999 ? MG MG C 802 >VAL.A 78 24.38 36.89 -15.88 24.35 38.14 -17.69 24.37 37.51 -16.79 3 0 14.76 -999 ? MG MG C 802 >PHE.A 79 24.94 33.33 -18.48 24.40 34.54 -20.96 24.67 33.93 -19.72 3 0 18.60 -999 ? MG MG C 802 >GLY.A 80 25.07 33.09 -12.27 25.52 33.48 -12.81 25.29 33.29 -12.54 1 0 18.59 -999 ? MG MG C 802 >SER.A 81 28.37 34.98 -12.71 29.49 32.92 -13.33 28.93 33.95 -13.02 2 0 21.22 -999 ? MG MG C 802 >HIS~B 0 43.91 33.18 42.38 44.69 34.68 41.14 44.30 33.93 41.76 3 0 38.06 -999 ? MG MG B 801 >MET~B 1 39.73 33.91 43.56 36.68 34.25 40.68 38.21 34.08 42.12 2 0 32.77 -999 ? MG MG B 801 >PHE~B 2 36.10 30.57 45.06 34.32 30.01 42.98 35.21 30.29 44.02 3 0 33.14 -999 ? MG MG B 801 >GLU~B 3 41.75 31.22 49.44 43.82 30.73 49.43 42.79 30.98 49.44 2 0 37.61 -999 ? MG MG B 801 >LYS~B 4 39.96 36.72 47.97 44.39 37.52 43.49 42.17 37.12 45.73 2 0 35.78 -999 ? MG MG B 801 >ILE~B 5 35.27 35.86 46.87 34.26 35.71 45.83 34.77 35.78 46.35 3 0 28.38 -999 ? MG MG B 801 >ARG~B 6 36.05 31.24 51.31 35.85 28.82 49.41 35.95 30.03 50.36 2 0 33.28 -999 ? MG MG B 801 >LYS~B 7 38.06 37.83 52.78 40.75 41.62 54.67 39.40 39.72 53.73 2 0 28.76 -999 ? MG MG B 801 >ILE~B 8 35.78 40.88 49.70 35.98 41.62 48.54 35.88 41.25 49.12 3 0 25.34 -999 ? MG MG B 801 >LEU~B 9 32.17 37.53 52.22 31.30 36.98 50.28 31.74 37.25 51.25 3 0 24.10 -999 ? MG MG B 801 >ALA~B 10 34.14 38.93 56.01 35.39 38.17 56.48 34.77 38.55 56.25 2 0 26.01 -999 ? MG MG B 801 >ASP~B 11 36.16 43.15 54.66 38.14 42.63 55.21 37.15 42.89 54.94 2 0 25.97 -999 ? MG MG B 801 >ILE~B 12 30.91 42.92 53.10 30.26 43.07 51.82 30.59 43.00 52.46 3 0 19.41 -999 ? MG MG B 801 >GLU~B 13 29.57 40.17 59.28 27.45 40.43 59.20 28.51 40.30 59.24 2 0 19.00 -999 ? MG MG B 801 >ASP~B 14 34.01 43.90 59.63 34.76 42.15 60.55 34.39 43.02 60.09 2 0 23.86 -999 ? MG MG B 801 >SER~B 15 31.61 47.17 57.74 31.55 48.73 55.89 31.58 47.95 56.81 2 0 17.61 -999 ? MG MG B 801 >GLN~B 16 27.00 45.19 56.16 26.02 43.39 55.59 26.51 44.29 55.88 2 0 15.43 -999 ? MG MG B 801 >ASN~B 17 29.14 44.88 62.53 28.28 42.93 62.36 28.71 43.90 62.45 2 0 18.91 -999 ? MG MG B 801 >GLU~B 18 32.65 48.92 61.98 33.18 49.39 63.96 32.91 49.16 62.97 2 0 20.97 -999 ? MG MG B 801 >ILE~B 19 27.19 50.99 58.74 27.17 51.32 57.42 27.18 51.15 58.08 3 0 13.09 -999 ? MG MG B 801 >GLU~B 20 23.85 47.57 61.14 23.31 45.53 61.25 23.58 46.55 61.20 2 0 13.51 -999 ? MG MG B 801 >MET~B 21 26.28 50.85 65.53 26.81 50.88 68.86 26.54 50.86 67.19 2 0 18.60 -999 ? MG MG B 801 >LEU~B 22 27.74 54.73 62.90 29.91 55.00 62.97 28.83 54.87 62.94 3 0 16.17 -999 ? MG MG B 801 >LEU~B 23 22.58 53.77 61.79 22.71 54.08 59.66 22.65 53.92 60.72 3 0 9.73 -999 ? MG MG B 801 >LYS~B 24 21.92 53.41 66.20 20.96 51.08 71.18 21.44 52.25 68.69 2 0 17.54 -999 ? MG MG B 801 >LEU~B 25 25.47 56.03 68.23 26.64 54.89 69.67 26.05 55.46 68.95 3 0 18.00 -999 ? MG MG B 801 >ALA~B 26 23.13 58.84 65.56 23.70 58.90 64.16 23.41 58.87 64.86 2 0 13.72 -999 ? MG MG B 801 >ASN~B 27 18.81 58.75 66.72 16.72 58.39 67.00 17.76 58.57 66.86 2 0 12.93 -999 ? MG MG B 801 >LEU.B 28 19.18 59.03 61.07 21.23 59.38 60.36 20.21 59.20 60.71 3 0 9.48 -999 ? MG MG B 801 >SER~B 29 18.22 55.22 59.21 16.72 55.88 57.44 17.47 55.55 58.33 2 0 -3.67 -999 ? MG MG B 801s >LEU~B 30 21.20 53.12 55.99 23.12 52.80 54.98 22.16 52.96 55.49 3 0 7.48 -999 ? MG MG B 801 >GLY~B 31 18.31 55.87 53.89 18.60 56.22 54.61 18.45 56.04 54.25 1 0 4.21 -999 ? MG MG B 801 >ASP~B 32 17.63 59.14 57.48 15.63 58.61 57.95 16.63 58.87 57.72 2 0 5.59 -999 ? MG MG B 801 >PHE~B 33 24.17 58.68 56.24 26.80 59.26 55.49 25.48 58.97 55.86 3 0 11.89 -999 ? MG MG B 801 >ILE~B 34 21.72 57.68 51.49 22.97 57.39 50.77 22.34 57.54 51.13 3 0 9.27 -999 ? MG MG B 801 >GLU~B 35 17.04 60.22 51.16 17.34 60.26 49.06 17.19 60.24 50.11 2 0 9.08 -999 ? MG MG B 801 >ILE~B 36 21.25 63.91 55.39 21.07 64.16 56.72 21.16 64.04 56.06 3 0 12.01 -999 ? MG MG B 801 >LYS~B 37 24.23 63.52 52.01 29.30 63.01 53.12 26.77 63.27 52.56 2 0 17.26 -999 ? MG MG B 801 >ARG~B 38 20.81 60.79 47.17 20.11 57.92 46.42 20.46 59.35 46.80 2 0 10.89 -999 ? MG MG B 801 >GLY.B 39 20.88 67.31 49.98 20.42 66.65 49.89 20.65 66.98 49.93 1 0 15.56 -999 ? MG MG B 801 >SER.B 40 17.30 66.08 49.67 17.15 63.67 49.63 17.22 64.88 49.65 2 0 11.40 -999 ? MG MG B 801 >MET.B 41 16.56 65.80 53.44 16.21 62.65 56.27 16.38 64.23 54.86 2 0 8.93 -999 ? MG MG B 801 >ASP.B 42 16.36 69.52 56.67 15.46 70.94 55.39 15.91 70.23 56.03 2 0 17.03 -999 ? MG MG B 801 >MET.B 43 19.66 67.51 58.80 22.44 65.85 60.19 21.05 66.68 59.49 2 0 15.10 -999 ? MG MG B 801 >PRO.B 44 17.27 64.40 60.64 17.58 66.61 60.98 17.42 65.51 60.81 3 0 13.22 -999 ? MG MG B 801 >LYS.B 45 17.15 69.05 64.49 12.31 70.10 63.72 14.73 69.57 64.11 2 0 18.53 -999 ? MG MG B 801 >GLY.B 46 17.81 66.18 66.93 18.15 66.15 66.22 17.98 66.16 66.57 1 0 17.35 -999 ? MG MG B 801 >VAL.B 47 20.61 64.53 64.95 20.37 63.10 63.31 20.49 63.81 64.13 3 0 14.61 -999 ? MG MG B 801 >ASN~B 48 25.02 64.76 66.81 27.01 65.50 67.04 26.01 65.13 66.93 2 0 20.69 -999 ? MG MG B 801 >GLU~B 49 26.73 68.49 62.01 25.64 69.68 63.39 26.19 69.09 62.70 2 0 20.90 -999 ? MG MG B 801 >ALA~B 50 29.35 65.12 63.81 29.79 65.39 65.25 29.57 65.26 64.53 2 0 21.49 -999 ? MG MG B 801 >PHE~B 51 26.90 60.38 64.93 26.51 59.69 67.64 26.70 60.03 66.28 3 0 17.52 -999 ? MG MG B 801 >PHE~B 52 26.41 63.16 58.58 23.63 62.85 58.31 25.02 63.01 58.44 3 0 14.12 -999 ? MG MG B 801 >THR~B 53 32.33 62.04 59.23 33.93 63.35 59.83 33.13 62.70 59.53 2 0 21.90 -999 ? MG MG B 801 >GLN~B 54 33.39 56.55 62.00 35.49 56.53 61.57 34.44 56.54 61.78 2 0 21.89 -999 ? MG MG B 801 >LEU~B 55 28.03 57.88 58.94 26.34 57.04 59.99 27.18 57.46 59.46 3 0 13.66 -999 ? MG MG B 801 >SER~B 56 30.64 58.66 55.42 29.83 60.93 55.09 30.23 59.80 55.26 2 0 16.62 -999 ? MG MG B 801 >GLU~B 57 35.74 58.53 56.84 37.33 58.74 58.25 36.53 58.63 57.54 2 0 23.30 -999 ? MG MG B 801 >GLU~B 58 31.72 51.69 58.24 33.68 50.89 58.13 32.70 51.29 58.19 2 0 19.42 -999 ? MG MG B 801 >VAL~B 59 29.82 53.80 53.90 27.81 54.67 53.62 28.81 54.24 53.76 3 0 14.12 -999 ? MG MG B 801 >GLU~B 60 32.99 57.05 51.06 32.35 57.03 49.04 32.67 57.04 50.05 2 0 18.85 -999 ? MG MG B 801 >ARG~B 61 36.45 49.63 55.57 38.18 47.29 54.50 37.31 48.46 55.04 2 0 24.35 -999 ? MG MG B 801 >LEU~B 62 30.07 49.54 52.89 28.46 48.04 52.90 29.26 48.79 52.90 3 0 15.54 -999 ? MG MG B 801 >LYS~B 63 31.06 50.69 48.63 30.23 56.27 47.29 30.65 53.48 47.96 2 0 17.46 -999 ? MG MG B 801 >GLU~B 64 36.21 52.09 48.44 37.68 52.85 49.80 36.95 52.47 49.12 2 0 23.54 -999 ? MG MG B 801 >LEU~B 65 34.02 45.96 50.61 35.26 45.80 52.38 34.64 45.88 51.49 3 0 21.75 -999 ? MG MG B 801 >ILE~B 66 30.07 46.25 47.07 28.65 46.13 47.30 29.36 46.19 47.19 3 0 18.30 -999 ? MG MG B 801 >ASN~B 67 33.93 48.75 44.04 32.42 50.20 43.69 33.18 49.47 43.87 2 0 21.32 -999 ? MG MG B 801 >ALA~B 68 36.41 45.06 44.79 37.16 44.96 46.12 36.79 45.01 45.46 2 0 25.73 -999 ? MG MG B 801 >LEU~B 69 32.93 41.80 45.49 32.21 39.93 46.25 32.57 40.87 45.87 3 0 23.91 -999 ? MG MG B 801 >ASN~B 70 31.80 44.57 41.14 30.34 44.50 39.59 31.07 44.53 40.36 2 0 23.88 -999 ? MG MG B 801 >LYS~B 71 36.15 43.71 39.94 41.69 46.82 39.85 38.92 45.26 39.89 2 0 31.73 -999 ? MG MG B 801 >ILE~B 72 37.08 39.51 42.30 37.65 38.88 43.43 37.36 39.20 42.87 3 0 29.60 -999 ? MG MG B 801 >LYS~B 73 33.92 38.94 39.12 29.22 41.11 36.50 31.57 40.03 37.81 2 0 26.77 -999 ? MG MG B 801 >LYS~B 74 35.30 40.36 35.84 36.56 45.71 32.84 35.93 43.03 34.34 2 0 32.18 -999 ? MG MG B 801 >GLY~B 75 37.67 37.36 35.82 36.85 37.34 35.79 37.26 37.35 35.80 1 0 34.18 -999 ? MG MG B 801 >LEU~B 76 33.58 34.88 36.24 33.87 33.77 38.08 33.73 34.32 37.16 3 0 32.61 -999 ? MG MG B 801 >LEU~B 77 34.04 38.29 31.44 32.99 40.11 32.00 33.51 39.20 31.72 3 0 33.35 -999 ? MG MG B 801 >VAL.B 78 33.38 34.72 28.80 33.29 32.52 28.90 33.33 33.62 28.85 3 0 37.99 -999 ? MG MG B 801 >PHE.B 79 32.12 34.27 24.38 32.47 31.54 23.90 32.29 32.91 24.14 3 0 41.27 -999 ? MG MG B 801 >GLY.B 80 32.83 39.61 27.44 32.34 38.98 27.54 32.59 39.29 27.49 1 0 35.96 -999 ? MG MG B 801 >SER.B 81 29.61 38.44 29.17 28.25 38.86 27.22 28.93 38.65 28.19 2 0 34.39 -999 ? MG MG B 801 >MET~C 1 38.73 47.75 7.88 35.85 44.98 9.15 37.29 46.37 8.51 2 0 30.67 -999 ? MG MG C 802 >PHE~C 2 35.04 50.86 10.10 33.01 49.60 11.57 34.03 50.23 10.83 3 0 30.57 -999 ? MG MG C 802 >GLU~C 3 40.58 54.09 7.38 42.62 54.14 7.98 41.60 54.12 7.68 2 0 34.83 -999 ? MG MG C 802 >LYS~C 4 38.59 50.21 3.25 41.25 44.93 3.30 39.92 47.57 3.27 2 0 30.87 -999 ? MG MG C 802 >ILE~C 5 33.92 49.67 4.68 32.97 48.83 5.37 33.45 49.25 5.02 3 0 25.72 -999 ? MG MG C 802 >ARG~C 6 34.74 56.01 6.34 34.33 55.63 9.36 34.54 55.82 7.85 2 0 30.28 -999 ? MG MG C 802 >LYS~C 7 36.57 53.87 -0.04 40.89 51.36 -3.54 38.73 52.61 -1.79 2 0 27.12 -999 ? MG MG C 802 >ILE~C 8 34.45 49.56 -1.00 34.65 48.17 -1.10 34.55 48.86 -1.05 3 0 22.59 -999 ? MG MG C 802 >LEU~C 9 30.76 53.36 0.57 29.67 52.12 2.01 30.22 52.74 1.29 3 0 21.09 -999 ? MG MG C 802 >ALA~C 10 32.65 55.94 -2.61 33.85 56.78 -2.18 33.25 56.36 -2.40 2 0 22.71 -999 ? MG MG C 802 >ASP~C 11 34.83 52.63 -5.48 36.80 53.36 -5.24 35.82 53.00 -5.36 2 0 23.00 -999 ? MG MG C 802 >ILE~C 12 29.56 51.33 -4.60 28.94 50.15 -4.08 29.25 50.74 -4.34 3 0 16.44 -999 ? MG MG C 802 >GLU~C 13 27.48 57.74 -5.17 25.68 56.83 -5.92 26.58 57.28 -5.55 2 0 14.71 -999 ? MG MG C 802 >ASP~C 14 32.63 56.53 -8.69 33.35 58.17 -7.53 32.99 57.35 -8.11 2 0 20.64 -999 ? MG MG C 802 >SER~C 15 30.39 53.18 -10.55 30.32 50.79 -10.88 30.36 51.99 -10.72 2 0 14.85 -999 ? MG MG C 802 >GLN~C 16 25.66 52.59 -8.15 24.41 52.90 -6.47 25.04 52.74 -7.31 2 0 11.83 -999 ? MG MG C 802 >ASN~C 17 27.64 58.40 -11.06 26.69 59.18 -9.31 27.16 58.79 -10.19 2 0 15.41 -999 ? MG MG C 802 >GLU~C 18 31.20 55.05 -15.70 32.47 56.70 -16.14 31.84 55.87 -15.92 2 0 18.41 -999 ? MG MG C 802 >ILE~C 19 26.17 51.96 -14.47 26.21 50.61 -14.11 26.19 51.28 -14.29 3 0 10.58 -999 ? MG MG C 802 >GLU~C 20 22.42 55.63 -12.84 21.74 56.72 -11.15 22.08 56.18 -12.00 2 0 9.93 -999 ? MG MG C 802 >MET~C 21 25.25 57.87 -17.66 27.18 60.45 -19.04 26.21 59.16 -18.35 2 0 16.86 -999 ? MG MG C 802 >LEU~C 22 26.82 53.75 -19.75 28.95 53.53 -20.19 27.88 53.64 -19.97 3 0 14.28 -999 ? MG MG C 802 >LEU~C 23 21.64 53.31 -18.46 21.69 51.29 -17.68 21.67 52.30 -18.07 3 0 7.91 -999 ? MG MG C 802 >LYS~C 24 21.09 57.36 -20.38 19.81 62.39 -20.80 20.45 59.88 -20.59 2 0 15.52 -999 ? MG MG C 802 >LEU~C 25 24.83 57.63 -23.52 26.10 59.40 -23.27 25.46 58.52 -23.39 3 0 16.54 -999 ? MG MG C 802 >ALA~C 26 22.16 54.15 -24.67 22.67 52.83 -24.06 22.41 53.49 -24.36 2 0 12.92 -999 ? MG MG C 802 >ASN~C 27 17.73 55.33 -25.22 15.69 55.89 -24.92 16.71 55.61 -25.07 2 0 13.06 -999 ? MG MG C 802 >LEU.C 28 19.48 50.70 -22.39 19.56 48.71 -23.20 19.52 49.70 -22.80 3 0 9.81 -999 ? MG MG C 802 >SER~C 29 17.12 50.65 -18.51 15.37 48.95 -18.49 16.25 49.80 -18.50 2 0 4.80 -999 ? MG MG C 802 >LEU~C 30 19.82 48.95 -14.84 21.49 48.09 -13.73 20.65 48.52 -14.28 3 0 4.88 -999 ? MG MG C 802 >GLY~C 31 16.78 45.94 -16.22 17.20 46.27 -16.86 16.99 46.10 -16.54 1 0 -4.19 -999 ? MG MG C 802s >ASP~C 32 16.15 46.88 -20.96 14.01 47.02 -20.88 15.08 46.95 -20.92 2 0 7.70 -999 ? MG MG C 802 >PHE~C 33 22.96 46.14 -19.62 25.59 45.17 -19.77 24.28 45.65 -19.69 3 0 10.91 -999 ? MG MG C 802 >ILE~C 34 20.24 42.60 -16.46 21.46 42.05 -15.84 20.85 42.33 -16.15 3 0 8.81 -999 ? MG MG C 802 >GLU~C 35 15.37 41.68 -18.73 15.13 39.82 -17.78 15.25 40.75 -18.26 2 0 10.22 -999 ? MG MG C 802 >ILE~C 36 19.72 42.87 -23.85 19.49 43.89 -24.72 19.60 43.38 -24.29 3 0 12.62 -999 ? MG MG C 802 >LYS~C 37 22.82 40.29 -21.84 27.95 41.03 -21.73 25.38 40.66 -21.79 2 0 16.64 -999 ? MG MG C 802 >ARG~C 38 18.11 37.84 -18.16 16.81 36.66 -15.63 17.46 37.25 -16.89 2 0 12.68 -999 ? MG MG C 802 >GLY.C 39 19.63 36.28 -23.80 19.17 36.60 -23.23 19.40 36.44 -23.51 1 0 14.44 -999 ? MG MG D 803 >SER.C 40 16.01 36.75 -22.63 16.14 35.81 -20.42 16.08 36.28 -21.52 2 0 14.94 -999 ? MG MG C 802 >MET.C 41 15.21 39.99 -24.43 14.45 43.88 -22.96 14.83 41.94 -23.69 2 0 10.73 -999 ? MG MG C 802 >ASP.C 42 14.99 40.81 -29.25 14.30 38.87 -29.73 14.65 39.84 -29.49 2 0 9.50 -999 ? MG MG D 803 >MET.C 43 18.15 43.81 -28.81 21.38 44.69 -28.64 19.76 44.25 -28.73 2 0 14.53 -999 ? MG MG D 803 >PRO.C 44 15.89 46.97 -26.77 16.09 46.17 -28.86 15.99 46.57 -27.81 3 0 14.33 -999 ? MG MG C 802 >LYS.C 45 15.98 48.39 -32.42 18.86 48.59 -36.42 17.42 48.49 -34.42 2 0 14.37 -999 ? MG MG D 803 >GLY.C 46 17.14 51.94 -32.03 17.58 51.27 -31.75 17.36 51.60 -31.89 1 0 18.42 -999 ? MG MG D 803 >VAL.C 47 19.51 50.74 -29.31 19.14 49.97 -27.29 19.32 50.35 -28.30 3 0 15.03 -999 ? MG MG C 802 >ASN~C 48 24.00 52.16 -30.21 25.94 51.99 -31.09 24.97 52.08 -30.65 2 0 20.28 -999 ? MG MG C 802 >GLU~C 49 25.48 46.05 -31.16 24.62 46.77 -32.96 25.05 46.41 -32.06 2 0 15.45 -999 ? MG MG D 803 >ALA~C 50 28.15 49.11 -29.18 28.69 50.17 -30.14 28.42 49.64 -29.66 2 0 20.87 -999 ? MG MG C 802 >PHE~C 51 25.94 52.58 -25.61 25.76 55.29 -26.33 25.85 53.94 -25.97 3 0 16.52 -999 ? MG MG C 802 >PHE~C 52 25.14 45.71 -24.77 22.35 45.71 -24.39 23.75 45.71 -24.58 3 0 13.87 -999 ? MG MG C 802 >THR~C 53 31.10 46.61 -24.12 32.65 46.28 -25.60 31.88 46.44 -24.86 2 0 20.78 -999 ? MG MG C 802 >GLN~C 54 32.26 51.84 -20.93 34.34 51.50 -20.63 33.30 51.67 -20.78 2 0 19.88 -999 ? MG MG C 802 >LEU~C 55 26.89 48.68 -20.43 25.26 50.10 -20.28 26.08 49.39 -20.35 3 0 12.20 -999 ? MG MG C 802 >SER~C 56 29.45 45.19 -19.26 28.55 43.91 -21.08 29.00 44.55 -20.17 2 0 15.59 -999 ? MG MG C 802 >GLU~C 57 34.56 46.55 -19.96 36.08 47.74 -20.87 35.32 47.14 -20.42 2 0 21.51 -999 ? MG MG C 802 >GLU~C 58 31.41 51.14 -16.91 33.12 52.06 -16.02 32.27 51.60 -16.46 2 0 17.67 -999 ? MG MG C 802 >VAL~C 59 28.66 46.46 -14.29 26.62 45.82 -14.85 27.64 46.14 -14.57 3 0 12.20 -999 ? MG MG C 802 >GLU~C 60 33.02 42.08 -14.50 31.44 40.65 -14.29 32.23 41.36 -14.40 2 0 17.78 -999 ? MG MG C 802 >ARG~C 61 35.21 50.06 -11.65 36.88 50.54 -9.10 36.04 50.30 -10.37 2 0 21.58 -999 ? MG MG C 802 >LEU~C 62 28.85 47.80 -10.12 27.21 48.57 -8.85 28.03 48.19 -9.49 3 0 12.94 -999 ? MG MG C 802 >LYS~C 63 29.85 43.58 -8.92 28.76 39.89 -13.29 29.31 41.73 -11.11 2 0 15.90 -999 ? MG MG C 802 >GLU~C 64 34.92 42.31 -9.85 35.50 40.51 -8.86 35.21 41.41 -9.36 2 0 22.02 -999 ? MG MG C 802 >LEU~C 65 32.77 47.72 -5.96 34.02 49.38 -6.60 33.40 48.55 -6.28 3 0 19.07 -999 ? MG MG C 802 >ILE~C 66 28.78 44.49 -4.40 27.37 44.73 -4.44 28.07 44.61 -4.42 3 0 16.03 -999 ? MG MG C 802 >ASN~C 67 32.78 40.63 -4.88 31.25 39.61 -5.95 32.02 40.12 -5.41 2 0 19.72 -999 ? MG MG C 802 >ALA~C 68 35.12 43.31 -2.12 35.81 44.55 -2.71 35.47 43.93 -2.41 2 0 23.26 -999 ? MG MG C 802 >LEU~C 69 31.47 45.27 0.34 31.00 47.14 1.33 31.23 46.21 0.84 3 0 21.39 -999 ? MG MG C 802 >ASN~C 70 31.09 39.89 -0.07 29.17 40.27 -0.84 30.13 40.08 -0.46 2 0 20.56 -999 ? MG MG C 802 >LYS~C 71 35.04 39.69 1.57 39.68 37.02 0.07 37.36 38.35 0.82 2 0 30.10 -999 ? MG MG C 802 >ILE~C 72 35.64 43.95 3.88 36.16 45.28 3.88 35.90 44.62 3.88 3 0 27.07 -999 ? MG MG C 802 >LYS~C 73 32.61 41.34 6.03 28.32 37.62 5.63 30.47 39.48 5.83 2 0 25.76 -999 ? MG MG C 802 >LYS~C 74 34.08 37.83 6.32 35.73 32.54 3.21 34.90 35.18 4.77 2 0 30.96 -999 ? MG MG C 802 >GLY~C 75 36.49 39.35 8.86 35.68 39.33 8.91 36.09 39.34 8.89 1 0 32.14 -999 ? MG MG C 802 >LEU.C 76 32.44 41.10 10.74 32.75 43.22 10.73 32.59 42.16 10.74 3 0 30.46 -999 ? MG MG C 802 >LEU.C 77 32.87 35.26 10.39 31.67 34.72 8.66 32.27 34.99 9.52 3 0 31.80 -999 ? MG MG C 802 >VAL.C 78 32.49 35.00 14.89 32.57 36.33 16.67 32.53 35.66 15.78 3 0 36.48 -999 ? MG MG C 802 >PHE.C 79 31.50 31.55 17.77 32.04 32.70 20.28 31.77 32.12 19.02 3 0 40.20 -999 ? MG MG C 802 >GLY.C 80 31.82 31.06 11.57 31.35 31.53 12.04 31.58 31.29 11.80 1 0 34.97 -999 ? MG MG C 802 >SER.C 81 28.59 33.12 11.71 27.38 31.16 12.51 27.99 32.14 12.11 2 0 33.85 -999 ? MG MG C 802 >GLY~D -1 40.75 50.09 -57.87 40.24 49.41 -57.71 40.50 49.75 -57.79 1 0 24.45 -999 ? MG MG E 804 >HIS~D 0 42.90 50.70 -53.21 42.68 52.63 -52.42 42.79 51.67 -52.81 3 0 26.47 -999 ? MG MG E 804 >MET~D 1 38.69 49.51 -52.53 35.80 52.13 -50.90 37.25 50.82 -51.71 2 0 25.66 -999 ? MG MG E 804 >PHE~D 2 34.88 49.56 -56.20 33.05 51.68 -55.94 33.96 50.62 -56.07 3 0 23.63 -999 ? MG MG E 804 >GLU~D 3 40.12 45.12 -57.49 38.74 43.98 -58.64 39.43 44.55 -58.07 2 0 29.09 -999 ? MG MG E 804 >LYS~D 4 38.57 44.45 -51.60 42.69 47.94 -48.37 40.63 46.19 -49.98 2 0 31.16 -999 ? MG MG D 803 >ILE~D 5 33.92 45.95 -52.02 32.97 46.99 -51.82 33.44 46.47 -51.92 3 0 25.01 -999 ? MG MG D 803 >ARG~D 6 34.81 43.38 -58.03 34.48 46.07 -59.49 34.64 44.72 -58.76 2 0 26.32 -999 ? MG MG E 804 >LYS~D 7 36.64 39.68 -52.44 39.87 36.98 -49.58 38.25 38.33 -51.01 2 0 26.14 -999 ? MG MG D 803 >ILE~D 8 34.40 41.43 -48.44 34.61 42.17 -47.25 34.50 41.80 -47.84 3 0 21.75 -999 ? MG MG D 803 >LEU~D 9 30.83 40.47 -52.55 29.95 42.47 -52.41 30.39 41.47 -52.48 3 0 21.28 -999 ? MG MG D 803 >ALA~D 10 32.63 36.37 -52.70 33.86 36.19 -53.56 33.24 36.28 -53.13 2 0 23.39 -999 ? MG MG D 803 >ASP~D 11 34.67 35.93 -48.26 36.67 35.61 -48.88 35.67 35.77 -48.57 2 0 22.90 -999 ? MG MG D 803 >ILE~D 12 29.45 37.58 -47.94 28.89 38.72 -47.32 29.17 38.15 -47.63 3 0 16.32 -999 ? MG MG D 803 >GLU~D 13 28.17 35.48 -52.75 26.11 35.37 -53.34 27.14 35.43 -53.04 2 0 18.19 -999 ? MG MG D 803 >ASP~D 14 32.32 31.07 -49.77 33.06 31.06 -51.74 32.69 31.07 -50.75 2 0 21.78 -999 ? MG MG D 803 >SER~D 15 30.13 31.63 -45.96 30.08 32.76 -43.82 30.10 32.20 -44.89 2 0 14.81 -999 ? MG MG D 803 >GLN~D 16 25.33 33.95 -46.92 24.31 35.13 -48.37 24.82 34.54 -47.65 2 0 13.05 -999 ? MG MG D 803 >ASN~D 17 27.48 28.26 -49.92 26.67 29.24 -51.62 27.08 28.75 -50.77 2 0 17.83 -999 ? MG MG D 803 >GLU~D 18 31.04 26.67 -46.69 33.11 26.93 -46.32 32.08 26.80 -46.50 2 0 19.99 -999 ? MG MG D 803 >ILE~D 19 25.86 29.30 -42.87 25.83 30.40 -42.06 25.84 29.85 -42.46 3 0 11.28 -999 ? MG MG D 803 >GLU~D 20 22.06 28.30 -46.65 21.56 29.03 -48.58 21.81 28.66 -47.61 2 0 13.01 -999 ? MG MG D 803 >MET~D 21 25.02 23.15 -45.54 25.63 20.20 -47.23 25.32 21.67 -46.38 2 0 19.29 -999 ? MG MG D 803 >LEU~D 22 26.86 23.92 -41.11 29.05 23.64 -40.99 27.96 23.78 -41.05 3 0 15.88 -999 ? MG MG D 803 >LEU~D 23 21.43 25.20 -41.38 21.32 27.14 -40.41 21.38 26.17 -40.89 3 0 10.02 -999 ? MG MG D 803 >LYS~D 24 21.04 21.09 -43.13 20.88 18.39 -48.85 20.96 19.74 -45.99 2 0 19.95 -999 ? MG MG D 803 >LEU~D 25 25.03 18.78 -41.54 26.33 18.11 -43.20 25.68 18.45 -42.37 3 0 18.93 -999 ? MG MG D 803 >ALA~D 26 22.34 19.86 -38.04 22.80 21.19 -37.41 22.57 20.52 -37.73 2 0 14.62 -999 ? MG MG D 803 >ASN~D 27 17.98 18.43 -38.50 18.30 16.81 -39.81 18.14 17.62 -39.16 2 0 17.83 -999 ? MG MG D 803 >LEU.D 28 19.44 23.82 -36.86 19.82 23.28 -34.79 19.63 23.55 -35.83 3 0 11.48 -999 ? MG MG D 803 >SER~D 29 16.89 26.50 -39.14 15.19 27.47 -37.71 16.04 26.99 -38.42 2 0 7.14 -999 ? MG MG D 803 >LEU~D 30 19.29 30.74 -39.65 20.97 32.08 -39.56 20.13 31.41 -39.60 3 0 4.95 -999 ? MG MG D 803 >GLY~D 31 16.32 30.81 -36.15 16.78 30.12 -36.16 16.55 30.46 -36.15 1 0 4.02 -999 ? MG MG D 803 >ASP~D 32 16.49 26.11 -34.77 14.51 25.63 -35.32 15.50 25.87 -35.05 2 0 9.42 -999 ? MG MG D 803 >PHE~D 33 22.73 28.66 -34.92 25.26 29.50 -34.10 23.99 29.08 -34.51 3 0 9.68 -999 ? MG MG D 803 >ILE~D 34 19.50 32.71 -33.28 20.56 33.75 -33.22 20.03 33.23 -33.25 3 0 5.81 -999 ? MG MG D 803 >GLU~D 35 15.20 30.70 -30.95 15.03 32.47 -29.74 15.12 31.59 -30.34 2 0 8.48 -999 ? MG MG D 803 >ILE~D 36 20.42 26.24 -29.76 20.47 24.93 -30.15 20.44 25.58 -29.95 3 0 12.44 -999 ? MG MG D 803 >LYS~D 37 22.94 29.84 -28.83 28.08 29.39 -30.03 25.51 29.61 -29.43 2 0 14.72 -999 ? MG MG D 803 >ARG~D 38 17.70 33.59 -28.11 16.39 36.37 -28.25 17.05 34.98 -28.18 2 0 9.76 -999 ? MG MG D 803 >GLY.D 39 19.99 29.63 -24.23 19.46 29.95 -24.74 19.72 29.79 -24.48 1 0 14.80 -999 ? MG MG D 803 >SER.D 40 16.27 29.82 -25.03 16.07 32.19 -25.33 16.17 31.01 -25.18 2 0 12.71 -999 ? MG MG D 803 >MET.D 41 15.94 26.42 -26.77 15.23 25.41 -30.86 15.58 25.92 -28.81 2 0 11.50 -999 ? MG MG D 803 >ASP.D 42 16.49 21.90 -24.92 15.72 22.34 -23.01 16.11 22.12 -23.97 2 0 19.15 -999 ? MG MG D 803 >MET.D 43 19.85 21.35 -27.75 22.67 21.51 -29.65 21.26 21.43 -28.70 2 0 16.45 -999 ? MG MG D 803 >PRO.D 44 17.38 20.60 -31.33 18.14 19.43 -29.58 17.76 20.02 -30.46 3 0 16.24 -999 ? MG MG D 803 >LYS.D 45 19.01 15.30 -29.04 19.08 15.92 -23.83 19.05 15.61 -26.43 2 0 23.35 -999 ? MG MG D 803 >GLY.D 46 19.84 14.57 -32.66 20.02 15.28 -32.38 19.93 14.92 -32.52 1 0 20.79 -999 ? MG MG D 803 >VAL.D 47 21.97 17.64 -33.29 21.60 19.81 -33.32 21.78 18.73 -33.31 3 0 17.15 -999 ? MG MG D 803 >ASN~D 48 26.31 16.21 -34.97 28.31 15.62 -34.63 27.31 15.91 -34.80 2 0 22.38 -999 ? MG MG D 803 >GLU~D 49 27.14 18.02 -28.92 27.87 16.72 -27.44 27.50 17.37 -28.18 2 0 23.41 -999 ? MG MG D 803 >ALA~D 50 30.68 19.13 -33.57 31.63 18.02 -34.03 31.16 18.57 -33.80 2 0 22.56 -999 ? MG MG D 803 >PHE~D 51 27.33 18.47 -37.94 27.63 16.29 -39.69 27.48 17.38 -38.81 3 0 20.24 -999 ? MG MG D 803 >PHE~D 52 25.41 23.73 -32.20 24.12 25.98 -31.11 24.77 24.85 -31.66 3 0 14.00 -999 ? MG MG D 803 >THR~D 53 30.31 24.17 -33.06 31.82 23.61 -31.61 31.07 23.89 -32.33 2 0 19.65 -999 ? MG MG D 803 >GLN~D 54 32.37 23.44 -38.88 33.01 21.71 -39.96 32.69 22.57 -39.42 2 0 20.84 -999 ? MG MG D 803 >LEU~D 55 26.79 25.54 -37.37 24.85 26.33 -37.98 25.82 25.94 -37.68 3 0 12.51 -999 ? MG MG D 803 >SER~D 56 28.70 28.61 -34.76 27.85 27.58 -32.76 28.28 28.10 -33.76 2 0 14.08 -999 ? MG MG D 803 >GLU~D 57 33.81 27.90 -34.71 35.04 26.17 -34.83 34.43 27.03 -34.77 2 0 20.38 -999 ? MG MG D 803 >GLU~D 58 30.56 29.41 -42.03 32.47 30.11 -42.65 31.51 29.76 -42.34 2 0 17.09 -999 ? MG MG D 803 >VAL~D 59 28.15 32.26 -38.39 26.13 32.05 -37.54 27.14 32.15 -37.97 3 0 10.73 -999 ? MG MG D 803 >GLU~D 60 30.95 33.62 -34.05 29.72 35.28 -33.48 30.33 34.45 -33.76 2 0 13.79 -999 ? MG MG D 803 >ARG~D 61 34.49 32.42 -42.76 34.04 31.77 -45.78 34.27 32.10 -44.27 2 0 19.31 -999 ? MG MG D 803 >LEU~D 62 28.44 35.09 -41.78 26.87 35.70 -43.23 27.65 35.40 -42.51 3 0 11.99 -999 ? MG MG D 803 >LYS~D 63 29.27 38.46 -39.04 27.70 37.17 -33.56 28.49 37.81 -36.30 2 0 12.14 -999 ? MG MG D 803 >GLU~D 64 34.17 38.46 -37.22 35.29 36.81 -36.48 34.73 37.64 -36.85 2 0 18.83 -999 ? MG MG D 803 >LEU~D 65 32.51 38.46 -44.00 33.80 36.96 -44.87 33.15 37.71 -44.43 3 0 18.07 -999 ? MG MG D 803 >ILE~D 66 28.47 41.63 -42.52 27.07 41.44 -42.72 27.77 41.53 -42.62 3 0 14.02 -999 ? MG MG D 803 >ASN~D 67 32.15 43.49 -38.89 32.95 44.99 -37.64 32.55 44.24 -38.26 2 0 19.41 -999 ? MG MG D 803 >ALA~D 68 34.85 44.17 -42.44 35.68 42.98 -42.91 35.26 43.57 -42.67 2 0 21.46 -999 ? MG MG D 803 >LEU~D 69 31.56 44.67 -46.00 30.84 44.99 -48.01 31.20 44.83 -47.01 3 0 20.09 -999 ? MG MG D 803 >ASN~D 70 30.38 47.94 -41.99 29.49 49.78 -41.39 29.94 48.86 -41.69 2 0 20.31 -999 ? MG MG D 803 >LYS~D 71 34.75 49.14 -42.08 35.19 47.81 -36.97 34.97 48.48 -39.53 2 0 22.86 -999 ? MG MG D 803 >ILE~D 72 35.69 48.53 -46.90 36.28 47.74 -47.92 35.99 48.13 -47.41 3 0 25.55 -999 ? MG MG D 803 >LYS~D 73 32.54 51.63 -46.17 28.42 52.46 -42.84 30.48 52.04 -44.50 2 0 22.08 -999 ? MG MG D 803 >LYS~D 74 33.76 54.06 -43.46 33.65 51.50 -37.63 33.71 52.78 -40.54 2 0 24.07 -999 ? MG MG D 803 >GLY~D 75 36.29 55.20 -46.07 35.47 55.25 -46.12 35.88 55.22 -46.09 1 0 27.32 -999 ? MG MG E 804 >LEU~D 76 32.37 55.68 -48.86 32.77 54.50 -50.62 32.57 55.09 -49.74 3 0 24.30 -999 ? MG MG E 804 >LEU~D 77 32.13 58.33 -43.71 30.78 56.92 -42.72 31.45 57.62 -43.22 3 0 28.02 -999 ? MG MG D 803 >VAL.D 78 32.53 62.32 -45.62 31.60 63.76 -46.97 32.06 63.04 -46.29 3 0 23.30 -999 ? MG MG E 804 >PHE.D 79 32.38 66.22 -43.72 32.83 67.74 -46.02 32.60 66.98 -44.87 3 0 23.68 -999 ? MG MG E 804 >GLY.D 80 32.45 60.96 -40.40 31.93 61.25 -40.95 32.19 61.10 -40.68 1 0 29.53 -999 ? MG MG E 804 >SER.D 81 28.89 60.74 -41.73 26.72 61.70 -41.19 27.81 61.22 -41.46 2 0 29.24 -999 ? MG MG D 803 >HIS~E 0 12.25 34.58 -46.39 10.51 33.43 -46.64 11.38 34.00 -46.51 3 0 10.18 -999 ? MG MG D 803 >MET~E 1 17.84 36.32 -44.31 20.75 36.73 -41.26 19.30 36.52 -42.79 2 0 5.82 -999 ? MG MG D 803 >PHE~E 2 21.66 33.06 -45.70 23.34 32.47 -43.53 22.50 32.77 -44.62 3 0 9.13 -999 ? MG MG D 803 >GLU~E 3 16.54 33.52 -50.40 17.91 32.93 -51.96 17.22 33.22 -51.18 2 0 14.28 -999 ? MG MG D 803 >LYS~E 4 17.84 39.20 -48.65 13.42 39.67 -44.19 15.63 39.44 -46.42 2 0 8.85 -999 ? MG MG D 803 >ILE~E 5 22.49 38.38 -47.35 23.43 38.21 -46.26 22.96 38.29 -46.80 3 0 11.63 -999 ? MG MG D 803 >ARG~E 6 21.94 33.84 -51.93 22.08 31.38 -50.06 22.01 32.61 -51.00 2 0 13.74 -999 ? MG MG D 803 >LYS~E 7 19.95 40.38 -53.36 17.08 44.01 -55.72 18.52 42.20 -54.54 2 0 20.30 -999 ? MG MG D 803 >ILE~E 8 22.06 43.46 -50.16 21.82 44.23 -49.01 21.94 43.85 -49.58 3 0 15.96 -999 ? MG MG D 803 >LEU~E 9 25.77 40.15 -52.54 26.67 39.63 -50.63 26.22 39.89 -51.58 3 0 17.62 -999 ? MG MG D 803 >ALA~E 10 23.99 41.62 -56.43 22.82 40.83 -57.00 23.41 41.22 -56.72 2 0 21.14 -999 ? MG MG D 803 >ASP~E 11 21.86 45.78 -55.11 19.90 45.22 -55.71 20.88 45.50 -55.41 2 0 21.14 -999 ? MG MG D 803 >ILE~E 12 27.03 45.56 -53.37 27.62 45.74 -52.06 27.32 45.65 -52.71 3 0 21.47 -999 ? MG MG D 803 >GLU~E 13 28.77 42.78 -59.34 28.62 40.70 -59.78 28.69 41.74 -59.56 2 0 25.78 -999 ? MG MG D 803 >ASP~E 14 24.30 46.53 -60.10 23.62 44.75 -61.00 23.96 45.64 -60.55 2 0 26.30 -999 ? MG MG D 803 >SER~E 15 26.48 49.83 -58.04 26.48 51.35 -56.13 26.48 50.59 -57.09 2 0 23.88 -999 ? MG MG E 804 >GLN~E 16 31.07 47.98 -56.13 32.15 46.25 -55.52 31.61 47.11 -55.82 2 0 26.31 -999 ? MG MG D 803 >ASN~E 17 29.31 47.57 -62.69 30.07 45.60 -62.37 29.69 46.59 -62.53 2 0 26.10 -999 ? MG MG E 804 >GLU~E 18 25.90 51.28 -62.85 23.83 51.79 -62.78 24.86 51.53 -62.82 2 0 21.88 -999 ? MG MG E 804 >ILE~E 19 30.88 53.59 -58.76 30.85 53.91 -57.39 30.86 53.75 -58.08 3 0 20.01 -999 ? MG MG E 804 >GLU~E 20 34.60 50.44 -60.93 35.13 48.39 -60.92 34.87 49.42 -60.92 2 0 23.71 -999 ? MG MG E 804 >MET~E 21 32.28 53.66 -65.42 32.21 53.59 -68.78 32.24 53.62 -67.10 2 0 17.31 -999 ? MG MG E 804 >LEU~E 22 30.41 57.44 -62.94 28.24 57.71 -63.24 29.32 57.57 -63.09 3 0 14.73 -999 ? MG MG E 804 >LEU~E 23 35.64 56.40 -61.54 35.58 56.51 -59.38 35.61 56.46 -60.46 3 0 16.56 -999 ? MG MG E 804 >LYS~E 24 36.47 56.49 -65.97 36.64 52.70 -71.02 36.55 54.60 -68.49 2 0 18.71 -999 ? MG MG E 804 >LEU~E 25 32.72 59.10 -67.65 31.50 58.05 -69.15 32.11 58.58 -68.40 3 0 12.32 -999 ? MG MG E 804 >ALA~E 26 35.17 61.80 -65.06 34.57 61.83 -63.67 34.87 61.82 -64.36 2 0 10.22 -999 ? MG MG E 804 >ASN~E 27 39.53 61.82 -66.18 41.57 61.39 -66.62 40.55 61.60 -66.40 2 0 12.83 -999 ? MG MG E 804 >LEU.E 28 37.83 60.92 -60.66 37.37 63.02 -60.23 37.60 61.97 -60.44 3 0 12.66 -999 ? MG MG E 804 >SER~E 29 40.14 57.63 -59.14 41.72 58.29 -57.43 40.93 57.96 -58.28 2 0 18.69 -999 ? MG MG E 804 >LEU~E 30 37.40 55.36 -55.80 35.57 55.00 -54.67 36.48 55.18 -55.24 3 0 20.65 -999 ? MG MG E 804 >GLY~E 31 40.28 58.35 -53.92 39.91 58.67 -54.60 40.10 58.51 -54.26 1 0 20.33 -999 ? MG MG E 804 >ASP~E 32 40.42 61.63 -57.55 42.41 61.21 -58.18 41.42 61.42 -57.87 2 0 16.77 -999 ? MG MG E 804 >PHE~E 33 34.04 60.74 -55.70 31.51 61.25 -54.68 32.77 61.00 -55.19 3 0 16.34 -999 ? MG MG E 804 >ILE~E 34 37.10 59.89 -51.27 37.08 58.72 -50.51 37.09 59.31 -50.89 3 0 21.22 -999 ? MG MG E 804 >GLU~E 35 41.33 62.70 -51.32 41.37 62.86 -49.21 41.35 62.78 -50.26 2 0 22.24 -999 ? MG MG E 804 >ILE~E 36 36.66 66.25 -55.17 36.71 66.56 -56.51 36.68 66.41 -55.84 3 0 13.65 -999 ? MG MG E 804 >LYS~E 37 33.92 65.43 -51.82 28.55 65.23 -52.88 31.24 65.33 -52.35 2 0 16.96 -999 ? MG MG E 804 >ARG~E 38 38.70 63.81 -47.86 39.55 61.95 -45.57 39.13 62.88 -46.72 2 0 25.20 -999 ? MG MG E 804 >GLY.E 39 37.02 69.43 -49.44 37.50 68.81 -49.47 37.26 69.12 -49.45 1 0 19.25 -999 ? MG MG E 804 >SER.E 40 40.69 68.42 -49.61 40.79 66.99 -47.68 40.74 67.71 -48.64 2 0 22.29 -999 ? MG MG E 804 >MET.E 41 41.23 68.32 -53.42 41.62 65.27 -56.38 41.42 66.79 -54.90 2 0 15.64 -999 ? MG MG E 804 >ASP.E 42 41.06 72.21 -56.42 42.06 73.58 -55.16 41.56 72.90 -55.79 2 0 16.10 -999 ? MG MG E 804 >MET.E 43 37.56 70.31 -58.27 34.85 68.68 -59.46 36.21 69.50 -58.87 2 0 9.20 -999 ? MG MG E 804 >PRO.E 44 39.99 67.43 -60.52 39.35 69.59 -60.74 39.67 68.51 -60.63 3 0 10.34 -999 ? MG MG E 804 >LYS.E 45 38.88 72.16 -64.11 38.75 76.41 -61.04 38.82 74.29 -62.58 2 0 10.71 -999 ? MG MG E 804 >GLY.E 46 38.39 69.34 -66.60 38.09 69.27 -65.87 38.24 69.30 -66.23 1 0 5.77 -999 ? MG MG E 804 >VAL.E 47 35.99 67.29 -64.43 36.16 66.09 -62.58 36.08 66.69 -63.50 3 0 6.98 -999 ? MG MG E 804 >ASN~E 48 31.76 66.59 -66.61 29.84 67.25 -67.15 30.80 66.92 -66.88 2 0 4.96 -999 ? MG MG E 804 >GLU~E 49 30.80 70.98 -62.13 30.16 72.94 -62.39 30.48 71.96 -62.26 2 0 6.84 -999 ? MG MG E 804 >ALA~E 50 27.12 66.57 -63.80 26.30 66.74 -65.10 26.71 66.65 -64.45 2 0 8.52 -999 ? MG MG E 804 >PHE~E 51 30.54 62.83 -66.08 30.49 62.17 -68.82 30.51 62.50 -67.45 3 0 8.77 -999 ? MG MG E 804 >PHE~E 52 31.81 65.56 -58.59 32.84 65.47 -56.00 32.33 65.52 -57.29 3 0 12.19 -999 ? MG MG E 804 >THR~E 53 26.98 64.71 -59.08 25.61 66.38 -59.01 26.29 65.55 -59.05 2 0 12.67 -999 ? MG MG E 804 >GLN~E 54 25.10 59.88 -62.53 24.76 59.61 -64.62 24.93 59.74 -63.57 2 0 14.45 -999 ? MG MG E 804 >LEU~E 55 30.34 60.15 -59.50 32.16 59.06 -59.24 31.25 59.60 -59.37 3 0 14.44 -999 ? MG MG E 804 >SER~E 56 28.12 61.21 -55.79 27.89 62.85 -54.08 28.01 62.03 -54.93 2 0 17.06 -999 ? MG MG E 804 >GLU~E 57 23.02 61.76 -56.75 22.11 62.65 -58.43 22.56 62.20 -57.59 2 0 16.83 -999 ? MG MG E 804 >GLU~E 58 26.13 54.33 -58.35 24.15 53.56 -58.14 25.14 53.94 -58.24 2 0 21.92 -999 ? MG MG E 804 >VAL~E 59 28.34 56.33 -54.09 30.38 57.05 -53.81 29.36 56.69 -53.95 3 0 20.45 -999 ? MG MG E 804 >GLU~E 60 25.34 59.73 -51.29 26.17 59.69 -49.33 25.76 59.71 -50.31 2 0 23.01 -999 ? MG MG E 804 >ARG~E 61 21.42 54.70 -56.21 21.21 57.16 -58.03 21.31 55.93 -57.12 2 0 20.79 -999 ? MG MG E 804 >LEU~E 62 27.96 52.15 -53.03 29.50 50.63 -53.00 28.73 51.39 -53.01 3 0 25.09 -999 ? MG MG E 804 >LYS~E 63 26.84 53.22 -48.82 28.72 58.81 -47.90 27.78 56.01 -48.36 2 0 24.02 -999 ? MG MG E 804 >GLU~E 64 21.75 54.74 -48.74 20.43 55.61 -50.19 21.09 55.17 -49.47 2 0 24.80 -999 ? MG MG D 803 >LEU~E 65 23.88 48.69 -51.03 22.62 48.47 -52.81 23.25 48.58 -51.92 3 0 21.02 -999 ? MG MG D 803 >ILE~E 66 27.69 48.76 -47.28 29.08 48.63 -47.49 28.38 48.70 -47.38 3 0 20.78 -999 ? MG MG D 803 >ASN~E 67 23.73 51.26 -44.31 25.25 52.69 -43.92 24.49 51.97 -44.11 2 0 21.06 -999 ? MG MG D 803 >ALA~E 68 21.26 47.61 -45.32 20.61 47.51 -46.70 20.93 47.56 -46.01 2 0 16.28 -999 ? MG MG D 803 >LEU~E 69 24.79 44.36 -45.83 25.58 42.42 -46.35 25.19 43.39 -46.09 3 0 14.87 -999 ? MG MG D 803 >ASN~E 70 25.20 47.25 -41.35 27.23 47.31 -40.91 26.21 47.28 -41.13 2 0 16.92 -999 ? MG MG D 803 >LYS~E 71 21.18 46.17 -40.37 15.61 49.24 -40.67 18.39 47.70 -40.52 2 0 15.09 -999 ? MG MG D 803 >ILE~E 72 20.47 42.01 -42.87 19.98 41.40 -44.05 20.22 41.70 -43.46 3 0 9.85 -999 ? MG MG D 803 >LYS~E 73 23.39 41.37 -39.60 27.93 43.36 -36.99 25.66 42.36 -38.29 2 0 14.39 -999 ? MG MG D 803 >LYS~E 74 21.95 42.83 -36.35 20.23 47.98 -33.01 21.09 45.40 -34.68 2 0 14.79 -999 ? MG MG D 803 >GLY~E 75 19.52 39.86 -36.49 20.32 39.84 -36.40 19.92 39.85 -36.45 1 0 6.26 -999 ? MG MG D 803 >LEU~E 76 23.60 37.32 -36.72 23.32 36.17 -38.59 23.46 36.75 -37.65 3 0 7.18 -999 ? MG MG D 803 >LEU~E 77 22.80 40.61 -31.81 23.75 42.53 -32.06 23.28 41.57 -31.94 3 0 11.35 -999 ? MG MG D 803 >VAL.E 78 23.36 36.94 -29.27 23.48 34.75 -29.47 23.42 35.85 -29.37 3 0 10.91 -999 ? MG MG D 803 >PHE.E 79 24.42 36.28 -24.79 23.92 33.56 -24.41 24.17 34.92 -24.60 3 0 15.21 -999 ? MG MG D 803 >GLY.E 80 23.89 41.77 -27.65 24.41 41.17 -27.79 24.15 41.47 -27.72 1 0 14.46 -999 ? MG MG D 803 >SER.E 81 27.13 40.90 -29.47 28.42 39.58 -27.90 27.77 40.24 -28.69 2 0 16.22 -999 ? MG MG D 803 >GLY~F -1 17.33 47.24 58.25 17.92 46.72 58.03 17.63 46.98 58.14 1 0 7.86 -999 ? MG MG B 801 >HIS~F 0 15.34 48.10 53.53 15.73 50.03 52.81 15.54 49.06 53.17 3 0 5.27 -999 ? MG MG B 801 >MET~F 1 19.49 46.82 52.91 22.45 49.44 51.45 20.97 48.13 52.18 2 0 9.60 -999 ? MG MG B 801 >PHE~F 2 23.31 46.62 56.44 25.00 48.84 56.16 24.16 47.73 56.30 3 0 11.33 -999 ? MG MG B 801 >GLU~F 3 17.84 42.44 57.58 16.08 41.77 58.53 16.96 42.11 58.05 2 0 12.72 -999 ? MG MG B 801 >LYS~F 4 19.42 41.71 51.83 15.99 45.38 48.34 17.70 43.55 50.08 2 0 10.92 -999 ? MG MG B 801 >ILE~F 5 24.08 43.19 52.12 25.08 44.21 51.88 24.58 43.70 52.00 3 0 14.50 -999 ? MG MG B 801 >ARG~F 6 23.63 40.60 58.08 24.13 43.18 59.70 23.88 41.89 58.89 2 0 15.01 -999 ? MG MG B 801 >LYS~F 7 21.30 36.96 52.44 15.16 38.00 53.03 18.23 37.48 52.73 2 0 16.06 -999 ? MG MG B 801 >ILE~F 8 23.50 38.81 48.48 23.30 39.60 47.35 23.40 39.20 47.91 3 0 18.50 -999 ? MG MG B 801 >LEU~F 9 27.20 37.72 52.40 28.07 39.71 52.25 27.63 38.72 52.32 3 0 20.12 -999 ? MG MG B 801 >ALA~F 10 25.33 33.65 52.53 24.10 33.49 53.41 24.71 33.57 52.97 2 0 22.53 -999 ? MG MG B 801 >ASP~F 11 23.20 33.29 48.12 21.23 32.93 48.85 22.22 33.11 48.49 2 0 22.82 -999 ? MG MG B 801 >ILE~F 12 28.41 35.01 47.67 28.99 36.16 47.03 28.70 35.58 47.35 3 0 24.29 -999 ? MG MG B 801 >GLU~F 13 30.79 32.29 52.14 30.96 33.03 54.08 30.88 32.66 53.11 2 0 26.46 -999 ? MG MG B 801 >ASP~F 14 25.63 28.48 49.44 24.95 28.27 51.44 25.29 28.37 50.44 2 0 27.84 -999 ? MG MG B 801 >SER~F 15 27.72 29.09 45.60 27.68 30.32 43.50 27.70 29.70 44.55 2 0 29.28 -999 ? MG MG B 801 >GLN~F 16 32.43 31.46 46.51 33.54 32.60 47.91 32.99 32.03 47.21 2 0 29.30 -999 ? MG MG B 801 >ASN~F 17 30.53 25.66 49.43 31.33 26.69 51.11 30.93 26.17 50.27 2 0 32.13 -999 ? MG MG B 801 >GLU~F 18 26.89 24.10 46.28 24.87 24.68 46.13 25.88 24.39 46.21 2 0 32.20 -999 ? MG MG B 801 >ILE~F 19 31.87 26.82 42.29 31.83 27.95 41.44 31.85 27.39 41.87 3 0 34.21 -999 ? MG MG B 801 >GLU~F 20 35.83 25.87 45.82 36.54 26.60 47.68 36.18 26.23 46.75 2 0 35.71 -999 ? MG MG B 801 >MET~F 21 32.85 20.67 44.93 31.81 18.00 47.04 32.33 19.33 45.99 2 0 40.57 -999 ? MG MG B 801 >LEU~F 22 30.88 21.45 40.55 28.70 21.15 40.52 29.79 21.30 40.53 3 0 38.74 -999 ? MG MG B 801 >LEU~F 23 36.25 22.77 40.60 36.33 24.71 39.62 36.29 23.74 40.11 3 0 39.97 -999 ? MG MG B 801 >LYS~F 24 36.88 18.71 42.37 36.83 16.09 48.13 36.86 17.40 45.25 2 0 44.35 -999 ? MG MG B 801 >LEU~F 25 32.92 16.27 41.01 31.78 15.54 42.72 32.35 15.91 41.86 3 0 43.92 -999 ? MG MG B 801 >ALA~F 26 35.46 17.34 37.33 34.86 18.61 36.70 35.16 17.98 37.02 2 0 44.58 -999 ? MG MG B 801 >ASN~F 27 40.00 16.24 37.82 42.14 16.41 38.12 41.07 16.33 37.97 2 0 49.43 -999 ? MG MG B 801 >LEU.F 28 37.99 21.55 35.96 37.40 21.09 33.94 37.70 21.32 34.95 3 0 44.64 -999 ? MG MG B 801 >SER~F 29 40.63 24.30 38.03 42.17 25.24 36.42 41.40 24.76 37.23 2 0 43.83 -999 ? MG MG B 801 >LEU~F 30 38.15 28.39 38.76 36.46 29.75 38.89 37.31 29.07 38.83 3 0 37.27 -999 ? MG MG B 801 >GLY~F 31 40.88 28.59 35.10 40.42 27.89 35.13 40.65 28.24 35.12 1 0 41.49 -999 ? MG MG B 801 >ASP~F 32 40.71 23.92 33.60 42.72 23.51 34.01 41.71 23.72 33.81 2 0 46.36 -999 ? MG MG B 801 >PHE~F 33 34.40 26.30 34.21 31.83 27.17 33.52 33.12 26.73 33.87 3 0 39.05 -999 ? MG MG B 801 >ILE~F 34 37.49 30.43 32.51 36.44 31.45 32.52 36.97 30.94 32.51 3 0 39.10 -999 ? MG MG B 801 >GLU~F 35 41.72 28.37 29.89 41.98 30.14 28.77 41.85 29.25 29.33 2 0 44.69 -999 ? MG MG B 801 >ILE~F 36 36.39 24.03 28.83 36.33 22.71 29.20 36.36 23.37 29.01 3 0 45.58 -999 ? MG MG B 801 >LYS~F 37 33.85 27.53 28.23 28.53 26.85 29.44 31.19 27.19 28.83 2 0 39.72 -999 ? MG MG B 801 >ARG~F 38 39.06 31.38 27.32 40.45 34.10 27.57 39.76 32.74 27.45 2 0 42.51 -999 ? MG MG B 801 >GLY.F 39 36.53 27.65 23.40 37.09 27.94 23.90 36.81 27.80 23.65 1 0 46.53 -999 ? MG MG B 801 >SER.F 40 40.30 27.73 24.01 40.47 30.13 24.30 40.39 28.93 24.15 2 0 46.61 -999 ? MG MG B 801 >MET.F 41 40.67 24.27 25.55 41.83 23.28 29.52 41.25 23.77 27.53 2 0 48.20 -999 ? MG MG B 801 >ASP.F 42 40.21 19.66 24.16 41.08 19.93 22.29 40.65 19.80 23.23 2 0 52.80 -999 ? MG MG C 802 >MET.F 43 37.01 19.21 27.07 34.30 19.19 29.02 35.65 19.20 28.05 2 0 47.59 -999 ? MG MG B 801 >PRO.F 44 39.97 18.48 30.27 38.92 17.28 28.68 39.44 17.88 29.48 3 0 50.62 -999 ? MG MG B 801 >LYS.F 45 37.91 13.19 28.22 38.53 14.27 22.70 38.22 13.73 25.46 2 0 55.30 -999 ? MG MG C 802 >GLY.F 46 37.69 12.52 31.98 37.37 13.16 31.64 37.53 12.84 31.81 1 0 52.65 -999 ? MG MG B 801 >VAL.F 47 35.33 15.44 32.64 35.69 17.61 32.66 35.51 16.53 32.65 3 0 48.28 -999 ? MG MG B 801 >ASN~F 48 31.12 13.88 34.58 29.10 13.27 34.36 30.11 13.58 34.47 2 0 47.81 -999 ? MG MG B 801 >GLU~F 49 29.90 15.79 28.60 29.10 14.58 27.10 29.50 15.19 27.85 2 0 50.34 -999 ? MG MG B 801 >ALA~F 50 26.59 16.74 33.45 25.69 15.61 33.95 26.14 16.18 33.70 2 0 45.08 -999 ? MG MG B 801 >PHE~F 51 30.23 16.24 37.54 30.06 14.02 39.27 30.14 15.13 38.41 3 0 44.93 -999 ? MG MG B 801 >PHE~F 52 31.61 21.44 31.57 32.73 23.70 30.37 32.17 22.57 30.97 3 0 43.19 -999 ? MG MG B 801 >THR~F 53 26.83 21.75 32.81 25.29 21.11 31.44 26.06 21.43 32.13 2 0 41.77 -999 ? MG MG B 801 >GLN~F 54 25.16 21.15 38.73 24.55 19.37 39.74 24.85 20.26 39.24 2 0 39.03 -999 ? MG MG B 801 >LEU~F 55 30.64 23.39 36.64 32.58 24.04 37.43 31.61 23.72 37.04 3 0 38.99 -999 ? MG MG B 801 >SER~F 56 28.42 26.35 34.26 29.12 25.30 32.18 28.77 25.82 33.22 2 0 39.35 -999 ? MG MG B 801 >GLU~F 57 23.32 25.55 34.74 22.27 23.71 34.92 22.79 24.63 34.83 2 0 37.07 -999 ? MG MG B 801 >GLU~F 58 27.01 27.04 41.73 25.09 27.71 42.37 26.05 27.38 42.05 2 0 30.89 -999 ? MG MG B 801 >VAL~F 59 29.25 29.97 37.96 31.25 29.76 37.04 30.25 29.86 37.50 3 0 33.56 -999 ? MG MG B 801 >GLU~F 60 25.17 32.51 34.15 26.93 33.15 33.16 26.05 32.83 33.65 2 0 32.53 -999 ? MG MG B 801 >ARG~F 61 22.95 29.99 42.35 21.30 31.47 44.48 22.13 30.73 43.42 2 0 25.66 -999 ? MG MG B 801 >LEU~F 62 29.09 32.68 41.45 30.69 33.22 42.86 29.89 32.95 42.16 3 0 28.89 -999 ? MG MG B 801 >LYS~F 63 28.12 36.13 38.76 29.17 35.29 33.14 28.65 35.71 35.95 2 0 32.16 -999 ? MG MG B 801 >GLU~F 64 23.06 35.90 37.36 21.72 34.28 36.96 22.39 35.09 37.16 2 0 27.59 -999 ? MG MG B 801 >LEU~F 65 25.23 36.05 43.92 24.00 34.48 44.77 24.62 35.26 44.35 3 0 23.66 -999 ? MG MG B 801 >ILE~F 66 29.16 39.24 42.23 30.53 39.00 42.40 29.85 39.12 42.32 3 0 24.67 -999 ? MG MG B 801 >ASN~F 67 25.26 41.22 38.87 24.30 42.80 37.83 24.78 42.01 38.35 2 0 22.60 -999 ? MG MG B 801 >ALA~F 68 22.81 41.77 42.58 22.07 40.53 43.10 22.44 41.15 42.84 2 0 19.37 -999 ? MG MG B 801 >LEU~F 69 26.22 42.19 46.00 26.97 42.39 48.01 26.59 42.29 47.00 3 0 18.44 -999 ? MG MG B 801 >ASN~F 70 27.22 45.53 41.89 28.15 47.34 41.33 27.68 46.43 41.61 2 0 20.26 -999 ? MG MG B 801 >LYS~F 71 22.88 46.78 42.33 20.92 43.91 37.19 21.90 45.35 39.76 2 0 21.37 -999 ? MG MG B 801 >ILE~F 72 22.09 46.01 47.12 21.50 45.19 48.08 21.80 45.60 47.60 3 0 13.20 -999 ? MG MG B 801 >LYS~F 73 25.25 49.18 46.38 29.34 50.05 42.74 27.29 49.62 44.56 2 0 19.46 -999 ? MG MG B 801 >LYS~F 74 23.66 51.74 44.05 23.60 49.36 38.18 23.63 50.55 41.12 2 0 19.57 -999 ? MG MG B 801 >GLY~F 75 21.46 52.85 47.01 22.28 52.86 46.97 21.87 52.85 46.99 1 0 10.52 -999 ? MG MG B 801 >LEU~F 76 25.77 53.15 49.15 25.61 51.75 50.78 25.69 52.45 49.97 3 0 12.15 -999 ? MG MG B 801 >LEU~F 77 25.34 56.09 44.30 26.56 54.68 43.17 25.95 55.39 43.73 3 0 15.97 -999 ? MG MG B 801 >VAL.F 78 25.37 60.15 46.26 25.67 61.06 48.24 25.52 60.61 47.25 3 0 14.87 -999 ? MG MG B 801 >PHE.F 79 25.68 64.12 44.25 25.22 65.72 46.52 25.45 64.92 45.39 3 0 18.12 -999 ? MG MG B 801 >GLY.F 80 25.67 58.73 41.18 26.15 59.04 41.77 25.91 58.88 41.48 1 0 18.27 -999 ? MG MG B 801 >SER.F 81 29.07 58.40 42.93 30.07 59.95 41.34 29.57 59.18 42.14 2 0 21.41 -999 ? MG MG B 801