REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-SEP-06 2IF6 COMPND HYPOTHETICAL PROTEIN YIIX; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: HYPOTHETICAL PROTEIN ECS4866; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83334; SOURCE 4 STRAIN: O157:H7; SOURCE 5 GENE: YIIX, ECS4866, Z5492; 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: PET; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,J.GILMORE,K.T.BAIN,A.POWELL,S.OZYURT,S.WASSERMAN, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (NYSGXRC) HET UNX B 1 1 HET UNX A 1 1 SITE 1 AC1 6 ASP B 116 SER B 120 SER B 122 ARG B 125 SITE 1 AC2 6 ASP A 116 SER A 120 SER A 122 ARG A 125 >TRP.A 19 27.43 22.89 36.10 29.57 20.12 34.26 28.50 21.50 35.18 3 0 26.98 -999 ? UNK UNX A 1 >GLN.A 20 31.51 26.29 40.19 30.99 27.62 41.84 31.25 26.95 41.01 2 0 33.43 -999 ? UNK UNX A 1 >PRO.A 21 32.33 21.55 36.28 31.02 22.12 38.05 31.68 21.83 37.16 3 0 27.75 -999 ? UNK UNX A 1 >GLN.A 22 29.12 22.28 42.52 27.41 23.40 43.18 28.27 22.84 42.85 2 0 29.00 -999 ? UNK UNX A 1 >THR.A 23 30.43 16.57 43.12 31.73 15.57 44.52 31.08 16.07 43.82 2 0 22.62 -999 ? UNK UNX A 1 >GLY.A 24 27.19 14.70 42.54 27.50 15.09 41.94 27.35 14.89 42.24 1 0 20.35 -999 ? UNK UNX A 1 >ASP.A 25 26.89 17.60 38.49 26.84 19.44 39.50 26.86 18.52 38.99 2 0 24.61 -999 ? UNK UNX A 1 >ILE^A 26 23.53 13.00 37.29 22.78 11.94 37.91 23.16 12.47 37.60 3 0 17.63 -999 ? UNK UNX A 1 >ILE^A 27 27.44 14.53 33.21 28.65 14.73 32.61 28.05 14.63 32.91 3 0 20.64 -999 ? UNK UNX A 1 >PHE^A 28 22.20 12.33 31.58 20.94 11.87 34.04 21.57 12.10 32.81 3 0 18.30 -999 ? UNK UNX A 1 >GLN^A 29 27.75 10.47 26.97 29.89 10.42 27.00 28.82 10.44 26.98 2 0 19.77 -999 ? UNK UNX A 1 >ILE.A 30 24.72 10.44 22.17 23.90 10.77 21.05 24.31 10.60 21.61 3 0 22.86 -999 ? UNK UNX A 1 >SER.A 31 27.34 6.82 23.66 27.86 4.48 23.97 27.60 5.65 23.81 2 0 17.43 -999 ? UNK UNX A 1 >ARG.A 32 32.05 8.43 19.65 32.75 11.27 18.71 32.40 9.85 19.18 2 0 26.65 -999 ? UNK UNX A 1 >SER.A 33 29.05 2.19 21.35 27.51 1.81 23.18 28.28 2.00 22.27 2 0 16.76 -999 ? UNK UNX A 1 >SER.A 34 27.08 -0.23 19.13 28.29 -2.28 19.58 27.69 -1.26 19.35 2 0 19.17 -999 ? UNK UNX A 1 >GLN~A 35 25.13 -0.70 24.21 27.01 -1.58 24.74 26.07 -1.14 24.47 2 0 14.11 -999 ? UNK UNX A 1 >SER~A 36 23.71 3.05 21.93 24.13 5.42 21.79 23.92 4.24 21.86 2 0 19.53 -999 ? UNK UNX A 1 >LYS~A 37 20.88 3.18 19.40 17.77 6.47 16.79 19.33 4.83 18.10 2 0 25.37 -999 ? UNK UNX A 1 >ALA~A 38 19.05 0.18 20.87 19.63 -1.22 21.04 19.34 -0.52 20.95 2 0 18.40 -999 ? UNK UNX A 1 >ILE~A 39 20.52 2.16 25.11 21.40 2.07 26.20 20.96 2.12 25.65 3 0 15.02 -999 ? UNK UNX A 1 >GLN~A 40 19.83 6.55 22.18 20.50 7.77 20.59 20.17 7.16 21.39 2 0 22.26 -999 ? UNK UNX A 1 >LEU~A 41 15.17 2.33 20.19 15.05 2.75 18.12 15.11 2.54 19.16 3 0 22.76 -999 ? UNK UNX A 1 >ALA~A 42 14.03 0.94 24.21 14.94 -0.17 24.74 14.49 0.39 24.48 2 0 17.48 -999 ? UNK UNX A 1 >THR~A 43 14.11 3.75 26.79 16.18 3.82 27.38 15.15 3.78 27.09 2 0 16.52 -999 ? UNK UNX A 1 >HIS~A 44 10.19 5.66 24.33 8.75 4.34 23.55 9.47 5.00 23.94 3 0 23.32 -999 ? UNK UNX A 1 >SER.A 45 15.57 8.70 25.21 17.10 9.06 27.10 16.34 8.88 26.16 2 0 19.60 -999 ? UNK UNX A 1 >ASP.A 46 18.53 12.13 23.64 17.13 12.95 22.26 17.83 12.54 22.95 2 0 25.30 -999 ? UNK UNX A 1 >TYR.A 47 19.84 11.30 28.11 18.65 13.79 28.02 19.24 12.55 28.06 3 0 21.11 -999 ? UNK UNX A 1 >SER.A 48 22.69 6.32 26.33 23.85 6.52 24.21 23.27 6.42 25.27 2 0 18.22 -999 ? UNK UNX A 1 >HIS^A 49 27.97 6.57 29.19 29.41 5.87 30.56 28.69 6.22 29.87 3 0 14.54 -999 ? UNK UNX A 1 >THR^A 50 25.64 8.64 32.29 24.10 8.45 33.84 24.87 8.55 33.06 2 0 14.23 -999 ? UNK UNX A 1 >GLY^A 51 28.19 9.33 35.03 27.57 9.95 35.00 27.88 9.64 35.02 1 0 15.10 -999 ? UNK UNX A 1 >MET^A 52 28.49 11.43 38.19 27.57 10.63 42.27 28.03 11.03 40.23 2 0 16.41 -999 ? UNK UNX A 1 >LEU^A 53 30.48 15.82 38.60 30.81 16.27 36.49 30.65 16.05 37.54 3 0 21.88 -999 ? UNK UNX A 1 >VAL^A 54 33.47 13.94 41.49 33.79 12.14 42.70 33.63 13.04 42.09 3 0 20.46 -999 ? UNK UNX A 1 >MET^A 55 35.77 16.90 42.25 34.11 18.93 40.32 34.94 17.91 41.29 2 0 25.78 -999 ? UNK UNX A 1 >ARG^A 56 39.02 12.04 41.34 41.28 9.99 40.96 40.15 11.01 41.15 2 0 22.41 -999 ? UNK UNX A 1 >ASN.A 57 43.10 17.72 43.94 43.91 16.18 45.21 43.51 16.95 44.58 2 0 29.35 -999 ? UNK UNX A 1 >LYS.A 58 39.17 20.66 42.90 37.47 22.98 47.58 38.32 21.82 45.24 2 0 32.11 -999 ? UNK UNX A 1 >LYS^A 59 39.40 19.16 39.40 44.46 20.26 40.21 41.93 19.71 39.80 2 0 32.05 -999 ? UNK UNX A 1 >PRO^A 60 36.42 19.48 36.18 36.92 18.07 37.86 36.67 18.77 37.02 3 0 26.61 -999 ? UNK UNX A 1 >TYR^A 61 38.62 13.31 37.85 41.37 13.90 37.81 39.99 13.61 37.83 3 0 24.01 -999 ? UNK UNX A 1 >VAL^A 62 33.38 11.80 35.83 32.05 12.18 34.09 32.72 11.99 34.96 3 0 19.04 -999 ? UNK UNX A 1 >PHE^A 63 31.90 7.39 39.98 31.25 4.93 41.25 31.58 6.16 40.62 3 0 13.27 -999 ? UNK UNX A 1 >GLU^A 64 33.02 6.68 33.59 33.30 7.12 31.55 33.16 6.90 32.57 2 0 16.24 -999 ? UNK UNX A 1 >ALA^A 65 30.76 2.37 34.94 29.55 1.64 35.47 30.16 2.00 35.20 2 0 8.62 -999 ? UNK UNX A 1 >VAL.A 66 32.47 1.54 31.63 33.28 3.50 31.09 32.87 2.52 31.36 3 0 12.98 -999 ? UNK UNX A 1 >GLY.A 67 34.32 -1.69 32.54 34.62 -0.88 32.54 34.47 -1.29 32.54 1 0 11.52 -999 ? UNK UNX A 1 >PRO.A 68 37.88 -0.32 35.34 35.97 -0.93 34.32 36.93 -0.63 34.83 3 0 13.27 -999 ? UNK UNX A 1 >VAL^A 69 33.99 1.61 37.22 32.33 1.66 38.69 33.16 1.64 37.96 3 0 10.64 -999 ? UNK UNX A 1 >LYS^A 70 36.52 4.45 37.17 39.30 4.55 31.81 37.91 4.50 34.49 2 0 18.47 -999 ? UNK UNX A 1 >TYR^A 71 37.65 8.60 39.67 37.08 8.12 42.34 37.37 8.36 41.00 3 0 18.52 -999 ? UNK UNX A 1 >THR^A 72 37.69 9.97 33.85 36.89 9.09 32.04 37.29 9.53 32.95 2 0 19.55 -999 ? UNK UNX A 1 >PRO^A 73 41.00 12.84 32.99 38.79 12.87 33.38 39.89 12.86 33.18 3 0 23.90 -999 ? UNK UNX A 1 >LEU~A 74 35.15 16.86 33.19 33.17 17.71 33.00 34.16 17.28 33.10 3 0 24.73 -999 ? UNK UNX A 1 >LYS~A 75 37.20 17.03 29.18 40.78 17.42 25.42 38.99 17.22 27.30 2 0 30.36 -999 ? UNK UNX A 1 >GLN~A 76 38.97 11.10 28.17 40.29 9.91 29.40 39.63 10.51 28.78 2 0 23.22 -999 ? UNK UNX A 1 >TRP~A 77 32.61 10.21 31.07 29.22 11.98 30.12 30.92 11.10 30.60 3 0 18.86 -999 ? UNK UNX A 1 >ILE~A 78 32.66 16.40 27.34 32.09 17.67 27.67 32.37 17.04 27.51 3 0 25.68 -999 ? UNK UNX A 1 >ALA~A 79 34.78 14.38 23.97 36.32 14.48 24.00 35.55 14.43 23.99 2 0 26.74 -999 ? UNK UNX A 1 >HIS.A 80 34.10 8.31 24.76 34.37 6.32 24.15 34.24 7.32 24.45 3 0 20.75 -999 ? UNK UNX A 1 >GLY~A 81 30.06 11.60 23.52 30.69 11.80 22.96 30.37 11.70 23.24 1 0 22.82 -999 ? UNK UNX A 1 >GLU~A 82 27.31 11.02 17.98 25.52 10.02 17.41 26.42 10.52 17.69 2 0 25.72 -999 ? UNK UNX A 1 >LYS~A 83 29.03 15.36 18.74 28.98 15.74 13.54 29.00 15.55 16.14 2 0 32.55 -999 ? UNK UNX A 1 >GLY~A 84 30.35 16.38 22.20 29.57 16.25 22.01 29.96 16.31 22.11 1 0 27.32 -999 ? UNK UNX A 1 >LYS~A 85 26.73 16.84 23.39 22.38 16.86 18.90 24.55 16.85 21.14 2 0 29.34 -999 ? UNK UNX A 1 >TYR^A 86 27.89 17.95 28.24 28.98 20.47 28.83 28.43 19.21 28.53 3 0 26.38 -999 ? UNK UNX A 1 >VAL^A 87 23.44 17.80 29.71 21.31 17.23 29.86 22.38 17.51 29.78 3 0 24.23 -999 ? UNK UNX A 1 >VAL^A 88 23.98 17.99 33.45 25.96 18.62 34.18 24.97 18.30 33.81 3 0 23.78 -999 ? UNK UNX A 1 >ARG^A 89 18.58 17.09 34.62 15.56 17.38 34.86 17.07 17.24 34.74 2 0 24.54 -999 ? UNK UNX A 1 >ARG^A 90 23.74 21.50 41.60 25.95 23.11 40.21 24.85 22.31 40.91 2 0 28.25 -999 ? UNK UNX A 1 >VAL^A 91 19.72 18.12 42.96 19.61 16.86 44.74 19.66 17.49 43.85 3 0 23.82 -999 ? UNK UNX A 1 >GLU.A 92 15.75 22.71 42.08 13.71 23.03 41.80 14.73 22.87 41.94 2 0 30.44 -999 ? UNK UNX A 1 >GLY.A 93 19.06 23.89 45.40 19.49 23.32 45.03 19.28 23.61 45.21 1 0 30.38 -999 ? UNK UNX A 1 >GLY.A 94 22.40 22.03 45.44 21.78 21.78 45.91 22.09 21.91 45.67 1 0 28.14 -999 ? UNK UNX A 1 >LEU.A 95 24.83 18.30 47.28 23.72 16.57 46.56 24.27 17.43 46.92 3 0 24.11 -999 ? UNK UNX A 1 >SER~A 96 25.89 20.54 50.98 25.48 18.86 52.66 25.68 19.70 51.82 2 0 27.93 -999 ? UNK UNX A 1 >VAL~A 97 29.61 19.86 51.32 31.47 20.99 51.65 30.54 20.43 51.48 3 0 29.26 -999 ? UNK UNX A 1 >GLU~A 98 27.93 15.94 55.90 26.62 16.15 57.57 27.27 16.04 56.73 2 0 28.74 -999 ? UNK UNX A 1 >GLN~A 99 23.93 16.20 51.57 22.21 17.17 50.83 23.07 16.68 51.20 2 0 25.68 -999 ? UNK UNX A 1 >GLN~A 100 28.57 17.98 47.21 29.41 19.89 46.68 28.99 18.94 46.95 2 0 26.72 -999 ? UNK UNX A 1 >GLN~A 101 33.09 15.75 51.90 33.55 16.83 53.69 33.32 16.29 52.79 2 0 28.16 -999 ? UNK UNX A 1 >LYS~A 102 29.18 11.16 51.27 25.42 12.08 56.30 27.30 11.62 53.78 2 0 24.90 -999 ? UNK UNX A 1 >LEU~A 103 28.09 11.65 46.48 25.99 11.98 46.00 27.04 11.82 46.24 3 0 18.79 -999 ? UNK UNX A 1 >ALA~A 104 32.40 10.76 46.92 33.31 11.95 47.21 32.85 11.36 47.07 2 0 20.98 -999 ? UNK UNX A 1 >GLN~A 105 33.88 9.47 51.79 35.92 8.96 51.56 34.90 9.22 51.67 2 0 22.25 -999 ? UNK UNX A 1 >THR~A 106 30.36 5.78 48.60 28.24 5.63 48.98 29.30 5.71 48.79 2 0 15.51 -999 ? UNK UNX A 1 >ALA~A 107 31.50 6.00 44.97 31.81 7.24 44.18 31.65 6.62 44.58 2 0 15.30 -999 ? UNK UNX A 1 >LYS~A 108 34.84 4.53 46.13 38.46 8.66 49.38 36.65 6.59 47.75 2 0 22.27 -999 ? UNK UNX A 1 >ARG~A 109 30.86 1.82 50.18 28.36 0.04 50.24 29.61 0.93 50.21 2 0 13.49 -999 ? UNK UNX A 1 >TYR~A 110 29.83 1.02 43.65 27.58 0.81 45.31 28.70 0.92 44.48 3 0 9.44 -999 ? UNK UNX A 1 >LEU~A 111 36.77 2.21 42.34 36.92 4.39 42.19 36.85 3.30 42.26 3 0 15.13 -999 ? UNK UNX A 1 >GLY.A 112 37.11 -1.48 39.68 36.34 -1.39 39.74 36.72 -1.44 39.71 1 0 12.81 -999 ? UNK UNX A 1 >LYS.A 113 33.81 -3.39 39.21 30.91 -4.43 43.79 32.36 -3.91 41.50 2 0 8.21 -999 ? UNK UNX A 1 >PRO.A 114 34.07 -6.91 36.60 33.64 -4.70 36.36 33.86 -5.81 36.48 3 0 9.16 -999 ? UNK UNX A 1 >TYR.A 115 29.98 -2.63 31.03 27.67 -1.39 30.08 28.82 -2.01 30.55 3 0 9.16 -999 ? UNK UNX A 1 >ASP.A 116 26.56 -4.89 34.60 25.21 -6.39 35.21 25.88 -5.64 34.90 2 0 -3.33 -999 ? UNK UNX A 1s >PHE.A 117 28.97 -7.06 28.80 31.22 -5.67 27.85 30.09 -6.37 28.33 3 0 11.27 -999 ? UNK UNX A 1 >SER.A 118 23.69 -8.57 31.59 24.11 -10.87 32.19 23.90 -9.72 31.89 2 0 8.43 -999 ? UNK UNX A 1 >PHE.A 119 21.65 -4.05 30.96 22.77 -2.80 28.71 22.21 -3.43 29.83 3 0 8.98 -999 ? UNK UNX A 1 >SER.A 120 21.71 -7.35 36.28 22.31 -9.00 37.94 22.01 -8.18 37.11 2 0 -4.72 -999 ? UNK UNX A 1s >TRP.A 121 18.51 -4.31 42.16 19.39 -0.80 40.57 18.95 -2.55 41.37 3 0 7.17 -999 ? UNK UNX A 1 >SER.A 122 23.30 -7.59 41.50 24.55 -9.13 40.15 23.92 -8.36 40.82 2 0 -4.51 -999 ? UNK UNX A 1s >ASP.A 123 26.65 -5.25 44.05 25.33 -3.71 44.57 25.99 -4.48 44.31 2 0 6.49 -999 ? UNK UNX A 1 >ASP.A 124 28.57 -9.51 40.47 27.95 -10.84 42.04 28.26 -10.18 41.26 2 0 7.57 -999 ? UNK UNX A 1 >ARG.A 125 29.95 -8.80 35.25 28.55 -9.84 32.69 29.25 -9.32 33.97 2 0 -8.19 -999 ? UNK UNX A 1s >GLN.A 126 28.76 -1.67 39.45 26.93 -1.54 40.51 27.85 -1.61 39.98 2 0 4.65 -999 ? UNK UNX A 1 >TYR~A 127 23.81 -1.24 33.91 21.28 -1.48 35.08 22.55 -1.36 34.49 3 0 5.77 -999 ? UNK UNX A 1 >CYH~A 128 26.23 3.21 33.86 24.80 3.94 31.58 25.52 3.57 32.72 2 0 11.19 -999 ? UNK UNX A 1 >SER~A 129 22.91 4.27 35.39 21.39 3.26 33.84 22.15 3.77 34.62 2 0 10.05 -999 ? UNK UNX A 1 >GLU~A 130 23.54 -0.90 38.80 24.31 -2.87 38.47 23.92 -1.89 38.64 2 0 -2.28 -999 ? UNK UNX A 1s >VAL~A 131 26.10 2.71 39.61 28.23 3.14 39.34 27.17 2.92 39.48 3 0 8.39 -999 ? UNK UNX A 1 >VAL~A 132 24.90 6.36 39.74 24.94 8.09 38.34 24.92 7.22 39.04 3 0 12.30 -999 ? UNK UNX A 1 >TRP~A 133 18.07 5.09 40.76 17.58 2.69 43.87 17.82 3.89 42.31 3 0 12.11 -999 ? UNK UNX A 1 >LYS~A 134 23.22 2.90 43.71 23.20 -3.19 41.92 23.21 -0.14 42.82 2 0 4.46 -999 ? UNK UNX A 1 >VAL~A 135 25.66 5.58 44.89 27.62 6.36 44.27 26.64 5.97 44.58 3 0 12.84 -999 ? UNK UNX A 1 >TYR~A 136 22.41 10.14 44.13 23.36 12.68 43.42 22.89 11.41 43.78 3 0 17.49 -999 ? UNK UNX A 1 >GLN~A 137 19.89 3.07 47.61 18.40 3.50 49.06 19.15 3.29 48.33 2 0 15.25 -999 ? UNK UNX A 1 >ASN~A 138 24.58 3.16 49.08 23.58 1.30 48.71 24.08 2.23 48.90 2 0 12.32 -999 ? UNK UNX A 1 >ALA~A 139 25.16 7.60 50.33 26.03 8.41 49.38 25.60 8.01 49.86 2 0 17.52 -999 ? UNK UNX A 1 >LEU~A 140 22.02 11.05 49.83 23.63 12.50 49.51 22.82 11.77 49.67 3 0 20.45 -999 ? UNK UNX A 1 >GLY~A 141 19.15 7.45 50.84 19.32 8.08 50.35 19.23 7.77 50.60 1 0 18.66 -999 ? UNK UNX A 1 >MET.A 142 17.75 9.22 47.75 19.30 13.16 47.29 18.52 11.19 47.52 2 0 21.10 -999 ? UNK UNX A 1 >ARG.A 143 13.55 4.66 46.56 13.32 1.99 45.02 13.43 3.33 45.79 2 0 15.16 -999 ? UNK UNX A 1 >VAL.A 144 17.09 9.20 41.90 18.69 10.74 41.92 17.89 9.97 41.91 3 0 16.98 -999 ? UNK UNX A 1 >GLY.A 145 14.91 7.49 39.30 14.74 7.26 40.04 14.82 7.38 39.67 1 0 16.07 -999 ? UNK UNX A 1 >GLU.A 146 10.04 6.47 38.85 9.70 6.35 40.96 9.87 6.41 39.90 2 0 19.20 -999 ? UNK UNX A 1 >GLN.A 147 14.58 0.74 40.60 14.89 -0.53 42.32 14.74 0.11 41.46 2 0 11.72 -999 ? UNK UNX A 1 >GLN^A 148 10.94 0.09 33.89 9.74 0.99 32.33 10.34 0.54 33.11 2 0 17.36 -999 ? UNK UNX A 1 >LYS^A 149 11.39 -4.46 34.72 7.67 -8.55 37.73 9.53 -6.50 36.23 2 0 17.58 -999 ? UNK UNX A 1 >LEU.A 150 14.39 -6.15 31.26 15.67 -6.25 29.53 15.03 -6.20 30.39 3 0 12.66 -999 ? UNK UNX A 1 >LYS~A 151 10.11 -6.29 29.82 6.41 -9.77 33.64 8.26 -8.03 31.73 2 0 19.63 -999 ? UNK UNX A 1 >GLU~A 152 7.28 -3.52 32.69 7.16 -3.43 34.81 7.22 -3.48 33.75 2 0 18.14 -999 ? UNK UNX A 1 >PHE~A 153 12.94 -0.56 29.48 13.98 0.50 31.87 13.46 -0.03 30.67 3 0 14.61 -999 ? UNK UNX A 1 >ASP.A 154 9.74 0.69 23.90 8.71 0.58 22.03 9.22 0.64 22.96 2 0 23.60 -999 ? UNK UNX A 1 >LEU.A 155 11.43 -5.05 23.85 12.65 -5.07 25.69 12.04 -5.06 24.77 3 0 18.63 -999 ? UNK UNX A 1 >SER.A 156 9.09 -3.66 19.87 8.01 -1.52 19.64 8.55 -2.59 19.75 2 0 25.38 -999 ? UNK UNX A 1 >ASN~A 157 12.50 -0.87 17.66 13.18 0.00 15.82 12.84 -0.43 16.74 2 0 25.80 -999 ? UNK UNX A 1 >PRO~A 158 11.89 -4.21 13.66 13.06 -4.28 15.59 12.48 -4.25 14.63 3 0 26.70 -999 ? UNK UNX A 1 >LEU~A 159 17.12 -1.60 15.77 18.98 -0.40 15.88 18.05 -1.00 15.82 3 0 23.79 -999 ? UNK UNX A 1 >VAL~A 160 16.16 -3.55 19.68 15.13 -2.36 21.21 15.64 -2.96 20.45 3 0 20.17 -999 ? UNK UNX A 1 >GLN~A 161 12.55 -7.34 18.32 11.23 -8.30 16.92 11.89 -7.82 17.62 2 0 25.53 -999 ? UNK UNX A 1 >ALA~A 162 18.25 -7.92 17.21 18.66 -7.28 15.88 18.46 -7.60 16.55 2 0 23.32 -999 ? UNK UNX A 1 >LYS~A 163 20.53 -6.48 19.91 24.51 -3.61 17.40 22.52 -5.05 18.66 2 0 20.89 -999 ? UNK UNX A 1 >LEU~A 164 17.24 -8.37 22.99 16.17 -7.10 24.38 16.71 -7.73 23.68 3 0 16.92 -999 ? UNK UNX A 1 >LYS~A 165 19.19 -11.59 20.54 18.04 -15.26 15.59 18.62 -13.43 18.06 2 0 25.78 -999 ? UNK UNX A 1 >GLU~A 166 24.84 -9.36 19.06 25.25 -7.53 17.97 25.04 -8.44 18.51 2 0 20.43 -999 ? UNK UNX A 1 >ARG~A 167 24.96 -9.18 26.37 27.87 -8.85 25.44 26.42 -9.01 25.91 2 0 13.68 -999 ? UNK UNX A 1 >TYR~A 168 20.15 -11.00 26.97 20.48 -8.82 28.69 20.32 -9.91 27.83 3 0 12.37 -999 ? UNK UNX A 1 >GLY~A 169 20.05 -15.26 22.73 19.59 -14.73 23.26 19.82 -14.99 22.99 1 0 19.19 -999 ? UNK UNX A 1 >LYS.A 170 16.74 -16.71 23.99 15.30 -21.72 20.42 16.02 -19.22 22.21 2 0 26.22 -999 ? UNK UNX A 1 >ASN.A 171 18.79 -16.87 28.36 18.43 -18.96 28.76 18.61 -17.92 28.56 2 0 18.04 -999 ? UNK UNX A 1 >ILE.A 172 15.50 -11.80 26.91 15.21 -10.96 25.85 15.35 -11.38 26.38 3 0 16.49 -999 ? UNK UNX A 1 >PRO.A 173 18.17 -10.34 31.38 16.34 -11.57 30.92 17.26 -10.96 31.15 3 0 11.98 -999 ? UNK UNX A 1 >LEU.A 174 11.46 -10.75 30.50 11.11 -10.74 28.32 11.29 -10.75 29.41 3 0 17.20 -999 ? UNK UNX A 1 >GLU.A 175 10.52 -11.90 35.03 8.57 -11.08 34.70 9.55 -11.49 34.86 2 0 17.76 -999 ? UNK UNX A 1 >GLU.A 176 17.68 -7.52 35.80 18.44 -9.03 37.11 18.06 -8.28 36.45 2 0 7.67 -999 ? UNK UNX A 1 >THR^A 177 14.80 -4.74 37.79 14.52 -4.25 39.89 14.66 -4.50 38.84 2 0 10.54 -999 ? UNK UNX A 1 >VAL^A 178 16.50 -2.05 35.64 17.07 -2.45 33.55 16.78 -2.25 34.59 3 0 9.33 -999 ? UNK UNX A 1 >VAL.A 179 17.24 1.70 35.93 17.57 2.84 37.77 17.41 2.27 36.85 3 0 10.57 -999 ? UNK UNX A 1 >SER~A 180 17.79 3.56 32.65 15.74 4.59 31.90 16.76 4.07 32.28 2 0 14.74 -999 ? UNK UNX A 1 >PRO~A 181 21.08 5.56 30.52 19.50 6.10 32.00 20.29 5.83 31.26 3 0 13.73 -999 ? UNK UNX A 1 >GLN~A 182 14.24 9.07 29.72 14.88 11.07 29.20 14.56 10.07 29.46 2 0 21.03 -999 ? UNK UNX A 1 >ALA~A 183 14.91 7.23 34.41 14.80 5.84 34.91 14.85 6.53 34.66 2 0 15.23 -999 ? UNK UNX A 1 >VAL~A 184 17.70 8.97 36.39 19.70 8.45 37.03 18.70 8.71 36.71 3 0 15.18 -999 ? UNK UNX A 1 >PHE~A 185 17.27 13.59 32.25 17.20 16.23 31.31 17.24 14.91 31.78 3 0 22.34 -999 ? UNK UNX A 1 >ASP~A 186 12.62 11.47 34.33 12.47 11.94 32.29 12.55 11.70 33.31 2 0 21.88 -999 ? UNK UNX A 1 >ALA.A 187 14.13 11.91 38.82 15.43 11.56 39.48 14.78 11.73 39.15 2 0 19.17 -999 ? UNK UNX A 1 >PRO.A 188 11.26 12.71 42.09 12.31 13.87 40.49 11.79 13.29 41.29 3 0 22.76 -999 ? UNK UNX A 1 >GLN.A 189 15.08 14.11 44.57 14.90 12.12 43.79 14.99 13.11 44.18 2 0 20.63 -999 ? UNK UNX A 1 >LEU^A 190 17.29 16.03 38.75 18.72 14.52 39.25 18.00 15.27 39.00 3 0 21.48 -999 ? UNK UNX A 1 >THR^A 191 17.08 20.35 37.80 17.48 22.42 38.48 17.28 21.38 38.14 2 0 28.46 -999 ? UNK UNX A 1 >THR^A 192 19.23 21.07 34.74 18.89 20.71 32.66 19.06 20.89 33.70 2 0 27.05 -999 ? UNK UNX A 1 >VAL^A 193 22.43 23.08 35.46 23.07 22.10 37.33 22.75 22.59 36.40 3 0 27.79 -999 ? UNK UNX A 1 >ALA^A 194 24.31 22.70 32.13 25.71 22.24 32.40 25.01 22.47 32.26 2 0 27.92 -999 ? UNK UNX A 1 >LYS^A 195 23.37 21.91 28.58 18.22 22.77 26.52 20.80 22.34 27.55 2 0 30.93 -999 ? UNK UNX A 1 >GLU^A 196 27.55 22.69 26.23 27.68 24.57 25.29 27.61 23.63 25.76 2 0 32.45 -999 ? UNK UNX A 1 >TRP.A 197 20.82 17.50 22.65 22.31 14.44 24.63 21.56 15.97 23.64 3 0 25.81 -999 ? UNK UNX A 1 >PRO.A 198 23.60 21.48 19.23 21.90 21.31 20.66 22.75 21.39 19.95 3 0 32.23 -999 ? UNK UNX A 1 >LEU.A 199 16.96 19.91 19.90 16.59 18.66 21.61 16.77 19.28 20.76 3 0 31.05 -999 ? UNK UNX A 1 >PHE.A 200 19.55 23.28 15.87 21.13 25.07 17.35 20.34 24.17 16.61 3 0 29.23 -999 ? UNK UNX B 1 >TRP.B 19 13.87 23.10 12.08 15.80 25.99 13.94 14.83 24.54 13.01 3 0 27.01 -999 ? UNK UNX B 1 >GLN.B 20 17.66 20.65 7.63 19.74 20.97 8.13 18.70 20.81 7.88 2 0 31.49 -999 ? UNK UNX B 1 >PRO.B 21 18.72 24.72 11.68 17.23 24.08 10.06 17.98 24.40 10.87 3 0 27.65 -999 ? UNK UNX B 1 >GLN.B 22 15.31 23.90 5.70 13.58 22.78 5.21 14.44 23.34 5.45 2 0 28.93 -999 ? UNK UNX B 1 >THR.B 23 16.57 29.61 5.03 17.82 30.62 3.62 17.20 30.11 4.32 2 0 22.63 -999 ? UNK UNX B 1 >GLY.B 24 13.31 31.51 5.68 13.62 31.06 6.27 13.47 31.28 5.98 1 0 20.30 -999 ? UNK UNX B 1 >ASP.B 25 13.05 28.49 9.63 13.03 26.63 8.60 13.04 27.56 9.11 2 0 24.65 -999 ? UNK UNX B 1 >ILE^B 26 9.77 33.00 11.06 9.02 34.11 10.55 9.39 33.56 10.81 3 0 17.67 -999 ? UNK UNX B 1 >ILE^B 27 13.73 31.43 15.06 14.99 31.24 15.66 14.36 31.33 15.36 3 0 20.73 -999 ? UNK UNX B 1 >PHE^B 28 8.43 33.55 16.76 7.14 34.17 14.33 7.79 33.86 15.55 3 0 18.35 -999 ? UNK UNX B 1 >GLN^B 29 14.02 35.40 21.51 16.14 35.50 21.28 15.08 35.45 21.39 2 0 19.80 -999 ? UNK UNX B 1 >ILE.B 30 11.01 35.46 26.17 10.13 35.16 27.27 10.57 35.31 26.72 3 0 22.83 -999 ? UNK UNX B 1 >SER.B 31 13.69 39.08 24.68 14.37 41.36 24.21 14.03 40.22 24.44 2 0 17.35 -999 ? UNK UNX B 1 >ARG.B 32 17.69 37.03 29.24 20.56 38.07 28.85 19.12 37.55 29.05 2 0 24.64 -999 ? UNK UNX B 1 >SER.B 33 15.32 43.67 27.01 13.74 44.07 25.25 14.53 43.87 26.13 2 0 16.78 -999 ? UNK UNX B 1 >SER.B 34 13.35 46.24 29.06 14.63 48.16 28.42 13.99 47.20 28.74 2 0 18.73 -999 ? UNK UNX B 1 >GLN~B 35 11.85 46.52 24.09 11.83 47.18 22.04 11.84 46.85 23.07 2 0 12.43 -999 ? UNK UNX B 1 >SER~B 36 9.97 42.81 26.42 10.36 40.45 26.68 10.17 41.63 26.55 2 0 19.59 -999 ? UNK UNX B 1 >LYS~B 37 7.17 42.54 29.05 5.72 43.01 35.15 6.45 42.77 32.10 2 0 26.69 -999 ? UNK UNX B 1 >ALA~B 38 5.37 45.57 27.59 5.94 47.00 27.48 5.65 46.29 27.54 2 0 18.40 -999 ? UNK UNX B 1 >ILE~B 39 6.78 43.62 23.25 6.70 44.55 22.26 6.74 44.09 22.76 3 0 14.95 -999 ? UNK UNX B 1 >GLN~B 40 6.00 39.21 26.08 6.89 38.00 27.58 6.44 38.60 26.83 2 0 22.11 -999 ? UNK UNX B 1 >LEU~B 41 1.39 43.53 28.37 1.54 43.07 30.46 1.47 43.30 29.42 3 0 22.77 -999 ? UNK UNX B 1 >ALA~B 42 0.28 44.86 24.30 1.09 46.06 23.73 0.69 45.46 24.02 2 0 17.47 -999 ? UNK UNX B 1 >THR~B 43 0.40 42.03 21.74 2.45 42.05 21.06 1.43 42.04 21.40 2 0 16.50 -999 ? UNK UNX B 1 >HIS~B 44 -3.51 40.12 24.33 -4.90 41.21 25.46 -4.20 40.66 24.89 3 0 23.55 -999 ? UNK UNX B 1 >SER.B 45 1.89 37.12 23.18 3.47 36.82 21.33 2.68 36.97 22.25 2 0 19.60 -999 ? UNK UNX B 1 >ASP.B 46 4.95 33.63 24.73 3.45 32.69 25.86 4.20 33.16 25.30 2 0 25.30 -999 ? UNK UNX B 1 >TYR.B 47 6.17 34.49 20.28 4.98 31.96 20.31 5.58 33.22 20.30 3 0 21.24 -999 ? UNK UNX B 1 >SER.B 48 8.93 39.61 22.03 9.93 39.36 24.25 9.43 39.49 23.14 2 0 18.31 -999 ? UNK UNX B 1 >HIS^B 49 14.15 39.49 19.05 15.68 39.99 17.69 14.91 39.74 18.37 3 0 14.52 -999 ? UNK UNX B 1 >THR^B 50 11.83 37.33 16.07 10.34 37.66 14.48 11.09 37.50 15.28 2 0 14.14 -999 ? UNK UNX B 1 >GLY^B 51 14.30 36.71 13.23 13.70 36.08 13.26 14.00 36.39 13.24 1 0 15.10 -999 ? UNK UNX B 1 >MET^B 52 14.61 34.68 10.05 13.65 35.47 6.00 14.13 35.08 8.02 2 0 16.46 -999 ? UNK UNX B 1 >LEU^B 53 16.67 30.30 9.47 17.14 29.88 11.54 16.90 30.09 10.50 3 0 21.87 -999 ? UNK UNX B 1 >VAL^B 54 19.60 32.26 6.67 19.87 34.20 5.58 19.74 33.23 6.12 3 0 20.36 -999 ? UNK UNX B 1 >MET^B 55 21.92 29.33 5.85 20.35 27.16 7.75 21.14 28.24 6.80 2 0 25.86 -999 ? UNK UNX B 1 >ARG^B 56 25.07 34.26 6.82 27.44 36.14 7.19 26.25 35.20 7.00 2 0 22.47 -999 ? UNK UNX B 1 >ASN.B 57 29.19 28.71 4.15 30.10 30.18 2.85 29.64 29.44 3.50 2 0 29.31 -999 ? UNK UNX B 1 >LYS.B 58 25.38 25.58 5.07 23.51 23.20 0.45 24.45 24.39 2.76 2 0 32.16 -999 ? UNK UNX B 1 >LYS^B 59 25.61 26.97 8.63 30.56 26.42 7.30 28.08 26.69 7.96 2 0 31.66 -999 ? UNK UNX B 1 >PRO^B 60 22.88 26.68 12.06 23.13 28.02 10.27 23.00 27.35 11.16 3 0 26.66 -999 ? UNK UNX B 1 >TYR^B 61 24.76 32.80 10.32 27.50 32.20 10.42 26.13 32.50 10.37 3 0 24.01 -999 ? UNK UNX B 1 >VAL^B 62 19.59 34.31 12.39 18.25 33.90 14.07 18.92 34.11 13.23 3 0 19.01 -999 ? UNK UNX B 1 >PHE^B 63 18.15 38.67 8.25 17.42 41.11 7.03 17.78 39.89 7.64 3 0 13.40 -999 ? UNK UNX B 1 >GLU^B 64 19.23 39.33 14.67 19.65 38.85 16.67 19.44 39.09 15.67 2 0 16.34 -999 ? UNK UNX B 1 >ALA^B 65 16.99 43.63 13.54 15.82 44.38 13.03 16.41 44.00 13.28 2 0 8.74 -999 ? UNK UNX B 1 >VAL.B 66 18.70 44.37 16.82 19.60 42.45 17.20 19.15 43.41 17.01 3 0 13.09 -999 ? UNK UNX B 1 >GLY.B 67 20.53 47.64 15.98 20.79 46.83 15.93 20.66 47.23 15.96 1 0 11.64 -999 ? UNK UNX B 1 >PRO.B 68 24.01 46.60 12.91 22.08 46.94 14.05 23.05 46.77 13.48 3 0 13.20 -999 ? UNK UNX B 1 >VAL^B 69 20.08 44.46 11.13 18.49 44.51 9.60 19.29 44.49 10.37 3 0 10.63 -999 ? UNK UNX B 1 >LYS^B 70 22.63 41.64 11.09 25.29 40.81 14.93 23.96 41.22 13.01 2 0 18.23 -999 ? UNK UNX B 1 >TYR^B 71 23.84 37.47 8.56 23.29 38.08 5.89 23.56 37.78 7.22 3 0 18.59 -999 ? UNK UNX B 1 >THR^B 72 23.87 36.08 14.33 23.17 37.02 16.12 23.52 36.55 15.23 2 0 19.53 -999 ? UNK UNX B 1 >PRO^B 73 27.16 33.24 15.06 24.94 33.18 14.74 26.05 33.21 14.90 3 0 23.86 -999 ? UNK UNX B 1 >LEU~B 74 21.41 29.09 14.91 19.36 28.25 14.99 20.39 28.67 14.95 3 0 24.80 -999 ? UNK UNX B 1 >LYS~B 75 23.33 28.95 19.05 26.95 23.78 19.31 25.14 26.37 19.18 2 0 32.93 -999 ? UNK UNX B 1 >GLN~B 76 26.57 33.23 19.59 27.87 34.53 18.50 27.22 33.88 19.04 2 0 25.06 -999 ? UNK UNX B 1 >TRP~B 77 18.76 35.83 17.07 15.45 33.97 18.12 17.11 34.90 17.59 3 0 18.83 -999 ? UNK UNX B 1 >ILE~B 78 19.05 29.61 20.73 18.54 28.26 20.49 18.79 28.94 20.61 3 0 25.70 -999 ? UNK UNX B 1 >ALA~B 79 21.10 31.76 24.03 22.59 31.51 24.08 21.85 31.63 24.05 2 0 26.65 -999 ? UNK UNX B 1 >HIS~B 80 21.53 37.02 22.83 23.47 37.80 22.61 22.50 37.41 22.72 3 0 21.80 -999 ? UNK UNX B 1 >GLY~B 81 16.39 34.35 24.63 17.06 34.19 25.15 16.72 34.27 24.89 1 0 22.74 -999 ? UNK UNX B 1 >GLU~B 82 13.63 34.33 30.27 11.89 35.27 31.04 12.76 34.80 30.66 2 0 26.15 -999 ? UNK UNX B 1 >LYS~B 83 15.77 30.44 29.41 13.15 31.15 34.53 14.46 30.80 31.97 2 0 31.50 -999 ? UNK UNX B 1 >GLY~B 84 16.85 29.60 25.78 16.08 29.68 26.07 16.47 29.64 25.93 1 0 27.18 -999 ? UNK UNX B 1 >LYS~B 85 13.16 29.11 24.86 9.24 29.08 29.94 11.20 29.10 27.40 2 0 29.60 -999 ? UNK UNX B 1 >TYR^B 86 14.21 27.90 20.01 15.33 25.39 19.47 14.77 26.65 19.74 3 0 26.53 -999 ? UNK UNX B 1 >VAL^B 87 9.73 28.16 18.54 7.61 28.73 18.58 8.67 28.45 18.56 3 0 24.27 -999 ? UNK UNX B 1 >VAL^B 88 10.20 27.95 14.78 12.21 27.41 14.10 11.21 27.68 14.44 3 0 23.83 -999 ? UNK UNX B 1 >ARG^B 89 4.91 28.84 13.74 1.89 28.49 13.32 3.40 28.67 13.53 2 0 24.61 -999 ? UNK UNX B 1 >ARG^B 90 9.94 24.49 6.77 12.18 22.99 8.27 11.06 23.74 7.52 2 0 28.25 -999 ? UNK UNX B 1 >VAL^B 91 5.84 27.97 5.30 5.76 29.22 3.49 5.80 28.59 4.39 3 0 23.88 -999 ? UNK UNX B 1 >GLU.B 92 1.87 23.35 6.13 -0.21 23.20 6.53 0.83 23.28 6.33 2 0 30.34 -999 ? UNK UNX B 1 >GLY.B 93 5.10 22.27 2.73 5.58 22.81 3.15 5.34 22.54 2.94 1 0 30.43 -999 ? UNK UNX B 1 >GLY.B 94 8.42 24.17 2.78 7.83 24.41 2.27 8.12 24.29 2.52 1 0 28.12 -999 ? UNK UNX B 1 >LEU.B 95 10.82 27.88 0.92 9.71 29.59 1.65 10.27 28.73 1.29 3 0 24.16 -999 ? UNK UNX B 1 >SER~B 96 12.01 25.64 -2.71 11.53 27.30 -4.42 11.77 26.47 -3.56 2 0 28.02 -999 ? UNK UNX B 1 >VAL~B 97 15.71 26.35 -3.01 17.50 25.14 -3.35 16.60 25.74 -3.18 3 0 29.29 -999 ? UNK UNX B 1 >GLU~B 98 13.83 30.29 -7.42 13.05 29.88 -9.33 13.44 30.08 -8.38 2 0 29.00 -999 ? UNK UNX B 1 >GLN~B 99 10.06 30.02 -3.40 8.36 29.03 -2.65 9.21 29.52 -3.03 2 0 25.76 -999 ? UNK UNX B 1 >GLN~B 100 14.80 28.18 1.05 15.60 26.22 1.43 15.20 27.20 1.24 2 0 26.84 -999 ? UNK UNX B 1 >GLN~B 101 19.06 30.39 -3.73 19.59 29.45 -5.61 19.33 29.92 -4.67 2 0 28.23 -999 ? UNK UNX B 1 >LYS~B 102 15.26 35.03 -3.03 11.39 33.88 -7.52 13.32 34.46 -5.28 2 0 24.80 -999 ? UNK UNX B 1 >LEU~B 103 14.14 34.57 1.68 12.00 34.25 2.12 13.07 34.41 1.90 3 0 18.83 -999 ? UNK UNX B 1 >ALA~B 104 18.47 35.47 1.20 19.39 34.24 0.99 18.93 34.86 1.09 2 0 21.03 -999 ? UNK UNX B 1 >GLN~B 105 20.00 37.05 -3.80 22.00 37.70 -3.31 21.00 37.37 -3.56 2 0 22.06 -999 ? UNK UNX B 1 >THR~B 106 16.43 40.38 -0.31 14.32 40.49 -0.75 15.38 40.44 -0.53 2 0 15.69 -999 ? UNK UNX B 1 >ALA~B 107 17.61 40.22 3.31 17.94 38.91 4.02 17.77 39.57 3.67 2 0 15.39 -999 ? UNK UNX B 1 >LYS~B 108 20.97 41.67 2.16 24.26 37.65 -1.50 22.61 39.66 0.33 2 0 22.29 -999 ? UNK UNX B 1 >ARG~B 109 16.65 44.81 -1.65 14.06 43.46 -2.70 15.36 44.14 -2.18 2 0 15.39 -999 ? UNK UNX B 1 >TYR.B 110 15.90 45.05 4.70 13.60 45.34 3.12 14.75 45.20 3.91 3 0 9.49 -999 ? UNK UNX B 1 >LEU.B 111 22.90 43.93 5.99 23.15 41.83 6.18 23.03 42.88 6.09 3 0 15.18 -999 ? UNK UNX B 1 >GLY.B 112 23.23 47.63 8.60 22.45 47.51 8.68 22.84 47.57 8.64 1 0 12.83 -999 ? UNK UNX B 1 >LYS.B 113 19.94 49.49 9.27 17.69 51.74 5.14 18.81 50.61 7.20 2 0 8.45 -999 ? UNK UNX B 1 >PRO.B 114 19.80 53.01 11.93 19.81 50.76 12.14 19.81 51.89 12.03 3 0 9.00 -999 ? UNK UNX B 1 >TYR.B 115 16.12 48.65 17.35 13.80 47.44 18.39 14.96 48.05 17.87 3 0 9.09 -999 ? UNK UNX B 1 >ASP.B 116 12.64 50.90 13.99 11.36 52.44 13.30 12.00 51.67 13.65 2 0 -3.30 -999 ? UNK UNX B 1s >PHE.B 117 15.15 53.16 19.60 17.51 51.84 20.39 16.33 52.50 20.00 3 0 11.16 -999 ? UNK UNX B 1 >SER.B 118 9.86 54.59 16.91 10.31 56.86 16.23 10.09 55.73 16.57 2 0 8.28 -999 ? UNK UNX B 1 >PHE.B 119 7.66 50.11 17.64 8.61 48.69 19.84 8.13 49.40 18.74 3 0 9.10 -999 ? UNK UNX B 1 >SER.B 120 7.90 53.31 12.29 8.45 55.04 10.64 8.18 54.17 11.46 2 0 -4.67 -999 ? UNK UNX B 1s >TRP.B 121 4.67 50.39 6.36 5.51 46.90 8.01 5.09 48.64 7.19 3 0 7.13 -999 ? UNK UNX B 1 >SER.B 122 9.43 53.73 7.08 10.70 55.22 8.50 10.07 54.48 7.79 2 0 -4.46 -999 ? UNK UNX B 1s >ASP.B 123 12.78 51.51 4.42 11.46 49.99 3.72 12.12 50.75 4.07 2 0 6.68 -999 ? UNK UNX B 1 >ASP.B 124 14.72 55.61 8.28 13.61 56.98 7.05 14.17 56.29 7.66 2 0 7.16 -999 ? UNK UNX B 1 >ARG.B 125 16.08 54.66 13.36 14.64 55.71 15.91 15.36 55.18 14.64 2 0 -8.10 -999 ? UNK UNX B 1s >GLN.B 126 14.92 47.70 8.95 13.12 47.67 7.85 14.02 47.69 8.40 2 0 4.74 -999 ? UNK UNX B 1 >TYR~B 127 10.02 47.21 14.53 7.45 47.48 13.39 8.73 47.35 13.96 3 0 5.76 -999 ? UNK UNX B 1 >CYH~B 128 12.40 42.79 14.54 10.96 42.05 16.82 11.68 42.42 15.68 2 0 11.20 -999 ? UNK UNX B 1 >SER~B 129 9.07 41.74 13.05 7.61 42.77 14.69 8.34 42.26 13.87 2 0 10.06 -999 ? UNK UNX B 1 >GLU~B 130 9.63 46.98 9.55 10.45 48.91 9.90 10.04 47.94 9.72 2 0 -2.34 -999 ? UNK UNX B 1s >VAL~B 131 12.23 43.39 8.72 14.39 42.98 9.07 13.31 43.19 8.89 3 0 8.40 -999 ? UNK UNX B 1 >VAL~B 132 11.09 39.72 8.63 11.06 37.95 10.07 11.07 38.84 9.35 3 0 12.35 -999 ? UNK UNX B 1 >TRP~B 133 4.30 40.93 7.75 3.68 43.38 4.70 3.99 42.15 6.23 3 0 12.11 -999 ? UNK UNX B 1 >LYS~B 134 9.31 43.16 4.64 9.26 49.28 6.45 9.28 46.22 5.55 2 0 4.61 -999 ? UNK UNX B 1 >VAL~B 135 11.84 40.56 3.48 13.79 39.71 4.18 12.81 40.13 3.83 3 0 12.89 -999 ? UNK UNX B 1 >TYR~B 136 8.59 36.01 4.19 9.47 33.44 4.91 9.03 34.72 4.55 3 0 17.51 -999 ? UNK UNX B 1 >GLN~B 137 5.62 43.05 0.99 4.31 42.40 -0.55 4.96 42.72 0.22 2 0 15.46 -999 ? UNK UNX B 1 >ASN~B 138 10.73 42.99 -0.62 9.87 44.84 -0.10 10.30 43.91 -0.36 2 0 12.21 -999 ? UNK UNX B 1 >ALA~B 139 11.25 38.63 -1.96 12.11 37.83 -1.03 11.68 38.23 -1.50 2 0 17.51 -999 ? UNK UNX B 1 >LEU~B 140 8.17 35.21 -1.51 9.71 33.66 -1.32 8.94 34.43 -1.41 3 0 20.51 -999 ? UNK UNX B 1 >GLY~B 141 5.19 38.75 -2.43 5.37 38.12 -1.86 5.28 38.43 -2.15 1 0 18.69 -999 ? UNK UNX B 1 >MET.B 142 3.89 36.94 0.67 5.41 32.90 0.94 4.65 34.92 0.81 2 0 21.25 -999 ? UNK UNX B 1 >ARG.B 143 -0.20 41.48 1.73 -0.62 43.94 3.52 -0.41 42.71 2.63 2 0 15.26 -999 ? UNK UNX B 1 >VAL.B 144 3.28 36.84 6.45 4.91 35.26 6.38 4.10 36.05 6.42 3 0 17.05 -999 ? UNK UNX B 1 >GLY.B 145 1.09 38.53 9.07 0.90 38.80 8.34 1.00 38.67 8.70 1 0 16.09 -999 ? UNK UNX B 1 >GLU.B 146 -3.79 39.63 9.68 -4.08 39.74 7.57 -3.93 39.69 8.63 2 0 19.11 -999 ? UNK UNX B 1 >GLN.B 147 0.68 45.24 7.83 0.91 46.47 6.10 0.79 45.85 6.96 2 0 11.89 -999 ? UNK UNX B 1 >GLN^B 148 -2.80 45.78 14.68 -4.09 44.89 16.20 -3.44 45.34 15.44 2 0 17.37 -999 ? UNK UNX B 1 >LYS^B 149 -2.43 50.50 13.82 -5.63 52.46 9.95 -4.03 51.48 11.89 2 0 16.70 -999 ? UNK UNX B 1 >LEU.B 150 0.54 52.08 17.31 1.74 52.15 19.10 1.14 52.11 18.20 3 0 12.69 -999 ? UNK UNX B 1 >LYS~B 151 -3.73 52.17 18.78 -7.50 55.96 15.35 -5.62 54.06 17.06 2 0 19.78 -999 ? UNK UNX B 1 >GLU~B 152 -6.63 49.47 15.77 -6.61 49.59 13.59 -6.62 49.53 14.68 2 0 17.99 -999 ? UNK UNX B 1 >PHE~B 153 -0.89 46.45 19.02 0.16 45.38 16.67 -0.37 45.92 17.85 3 0 14.63 -999 ? UNK UNX B 1 >ASP.B 154 -4.04 45.14 24.64 -5.04 45.26 26.56 -4.54 45.20 25.60 2 0 23.60 -999 ? UNK UNX B 1 >LEU.B 155 -2.31 50.93 24.61 -1.13 50.98 22.73 -1.72 50.95 23.67 3 0 18.47 -999 ? UNK UNX B 1 >SER.B 156 -4.54 49.51 28.71 -5.80 47.44 28.90 -5.17 48.47 28.81 2 0 25.35 -999 ? UNK UNX B 1 >ASN~B 157 -1.22 46.64 30.88 -0.38 45.79 32.65 -0.80 46.22 31.77 2 0 25.66 -999 ? UNK UNX B 1 >PRO~B 158 -1.77 49.92 35.06 -0.70 50.01 33.07 -1.24 49.97 34.06 3 0 26.77 -999 ? UNK UNX B 1 >LEU~B 159 3.54 47.51 32.85 5.66 46.77 32.69 4.60 47.14 32.77 3 0 23.72 -999 ? UNK UNX B 1 >VAL~B 160 2.40 49.42 28.82 1.38 48.22 27.27 1.89 48.82 28.04 3 0 20.10 -999 ? UNK UNX B 1 >GLN~B 161 -1.28 53.43 29.40 -1.45 54.53 27.51 -1.37 53.98 28.46 2 0 21.53 -999 ? UNK UNX B 1 >ALA~B 162 4.46 53.68 31.38 4.82 53.02 32.73 4.64 53.35 32.05 2 0 23.36 -999 ? UNK UNX B 1 >LYS~B 163 6.81 52.26 28.72 10.68 49.40 31.64 8.74 50.83 30.18 2 0 21.43 -999 ? UNK UNX B 1 >LEU~B 164 3.56 54.14 25.62 2.54 53.01 24.07 3.05 53.57 24.84 3 0 16.77 -999 ? UNK UNX B 1 >LYS~B 165 5.40 57.42 28.05 4.87 60.85 33.50 5.14 59.13 30.78 2 0 25.90 -999 ? UNK UNX B 1 >GLU~B 166 11.11 55.14 29.34 11.76 53.42 30.51 11.44 54.28 29.93 2 0 20.36 -999 ? UNK UNX B 1 >ARG~B 167 11.23 55.05 22.33 14.09 54.47 23.25 12.66 54.76 22.79 2 0 13.73 -999 ? UNK UNX B 1 >TYR~B 168 6.46 56.88 21.72 6.80 54.72 19.96 6.63 55.80 20.84 3 0 12.34 -999 ? UNK UNX B 1 >GLY~B 169 6.14 60.98 26.02 5.78 60.54 25.41 5.96 60.76 25.71 1 0 19.18 -999 ? UNK UNX B 1 >LYS.B 170 2.95 62.58 24.78 1.69 67.87 27.87 2.32 65.23 26.33 2 0 26.00 -999 ? UNK UNX B 1 >ASN.B 171 4.87 62.82 20.40 4.42 64.91 20.16 4.65 63.86 20.28 2 0 18.17 -999 ? UNK UNX B 1 >ILE.B 172 1.71 57.69 21.79 1.34 56.81 22.82 1.52 57.25 22.31 3 0 16.49 -999 ? UNK UNX B 1 >PRO.B 173 4.30 56.17 17.30 2.52 57.48 17.80 3.41 56.82 17.55 3 0 11.95 -999 ? UNK UNX B 1 >LEU.B 174 -2.36 56.66 18.23 -2.71 56.60 20.37 -2.53 56.63 19.30 3 0 17.17 -999 ? UNK UNX B 1 >GLU.B 175 -3.41 57.87 13.61 -5.25 56.82 13.90 -4.33 57.34 13.76 2 0 17.59 -999 ? UNK UNX B 1 >GLU.B 176 3.79 53.53 12.83 4.55 55.04 11.56 4.17 54.28 12.19 2 0 7.65 -999 ? UNK UNX B 1 >THR^B 177 0.97 50.76 10.83 0.48 50.22 8.81 0.72 50.49 9.82 2 0 10.67 -999 ? UNK UNX B 1 >VAL^B 178 2.68 47.99 12.83 3.12 48.56 14.97 2.90 48.27 13.90 3 0 9.33 -999 ? UNK UNX B 1 >VAL.B 179 3.41 44.26 12.52 3.68 43.04 10.69 3.55 43.65 11.61 3 0 10.66 -999 ? UNK UNX B 1 >SER~B 180 3.97 42.43 15.80 1.96 41.32 16.52 2.96 41.88 16.16 2 0 14.75 -999 ? UNK UNX B 1 >PRO~B 181 7.33 40.45 17.84 5.69 39.87 16.37 6.51 40.16 17.11 3 0 13.69 -999 ? UNK UNX B 1 >GLN~B 182 0.47 36.82 18.59 1.07 34.89 19.19 0.77 35.85 18.89 2 0 21.03 -999 ? UNK UNX B 1 >ALA~B 183 1.07 38.74 14.03 1.05 40.18 13.54 1.06 39.46 13.78 2 0 15.16 -999 ? UNK UNX B 1 >VAL~B 184 3.86 37.03 12.05 5.87 37.64 11.41 4.86 37.33 11.73 3 0 15.19 -999 ? UNK UNX B 1 >PHE~B 185 3.54 32.31 16.18 3.57 29.63 17.08 3.55 30.97 16.63 3 0 22.43 -999 ? UNK UNX B 1 >ASP~B 186 -1.25 34.48 14.01 -1.41 33.82 16.04 -1.33 34.15 15.03 2 0 22.08 -999 ? UNK UNX B 1 >ALA.B 187 0.32 34.08 9.45 1.64 34.40 8.69 0.98 34.24 9.07 2 0 19.25 -999 ? UNK UNX B 1 >PRO.B 188 -2.58 33.22 6.21 -1.53 32.12 7.89 -2.05 32.67 7.05 3 0 22.86 -999 ? UNK UNX B 1 >GLN.B 189 1.33 31.97 3.82 1.11 33.97 4.59 1.22 32.97 4.20 2 0 20.63 -999 ? UNK UNX B 1 >LEU^B 190 3.52 29.94 9.56 4.96 31.48 9.03 4.24 30.71 9.30 3 0 21.55 -999 ? UNK UNX B 1 >THR^B 191 3.30 25.65 10.56 3.66 23.58 9.85 3.48 24.61 10.21 2 0 28.53 -999 ? UNK UNX B 1 >THR^B 192 5.49 24.86 13.59 5.18 25.28 15.65 5.33 25.07 14.62 2 0 27.05 -999 ? UNK UNX B 1 >VAL^B 193 8.66 22.85 12.78 9.27 23.77 10.84 8.96 23.31 11.81 3 0 27.95 -999 ? UNK UNX B 1 >ALA^B 194 10.53 23.21 16.07 11.99 23.68 15.82 11.26 23.45 15.94 2 0 28.04 -999 ? UNK UNX B 1 >LYS^B 195 9.55 24.05 19.62 3.80 24.77 22.14 6.68 24.41 20.88 2 0 29.80 -999 ? UNK UNX B 1 >GLU^B 196 13.59 23.03 21.61 13.14 21.11 22.38 13.36 22.07 21.99 2 0 32.45 -999 ? UNK UNX B 1 >TRP.B 197 7.29 28.35 25.86 8.75 31.31 23.70 8.02 29.83 24.78 3 0 25.95 -999 ? UNK UNX B 1 >PRO.B 198 10.92 24.43 28.94 8.93 24.47 27.94 9.92 24.45 28.44 3 0 32.30 -999 ? UNK UNX B 1