REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-SEP-02 1MW7 COMPND HYPOTHETICAL PROTEIN HP0162; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: HYPOTHETICAL PROTEIN PR6; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 210; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.KUZIN,J.SHEN,J.P.KELLER,R.XIAO,B.ROST,G.MONTELIONE, AUTHOR 2 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) >LYS.A 21 18.11 65.95 -7.01 21.35 62.44 -10.16 19.73 64.19 -8.58 2 0 1000.00 -999 ? >VAL~A 22 20.18 66.36 -3.80 22.24 66.77 -3.10 21.21 66.56 -3.45 3 0 1000.00 -999 ? >PHE~A 23 20.09 71.54 -2.52 22.55 72.88 -2.59 21.32 72.21 -2.55 3 0 1000.00 -999 ? >PRO~A 24 14.99 68.73 -3.86 15.83 68.53 -1.81 15.41 68.63 -2.84 3 0 1000.00 -999 ? >LYS~A 25 16.16 65.09 0.17 15.78 61.36 -4.72 15.97 63.22 -2.28 2 0 1000.00 -999 ? >LEU~A 26 20.04 67.53 1.90 22.04 66.78 1.55 21.04 67.15 1.72 3 0 1000.00 -999 ? >ALA~A 27 15.97 69.07 3.26 15.27 69.99 2.24 15.62 69.53 2.75 2 0 1000.00 -999 ? >LYS~A 28 13.71 66.14 4.16 9.90 63.47 -0.03 11.81 64.81 2.07 2 0 1000.00 -999 ? >ALA~A 29 16.24 64.84 6.70 17.67 64.39 6.35 16.96 64.61 6.53 2 0 1000.00 -999 ? >ILE~A 30 16.73 69.55 7.72 17.64 70.68 7.61 17.19 70.12 7.66 3 0 1000.00 -999 ? >THR~A 31 12.51 68.34 8.63 11.07 69.07 7.19 11.79 68.71 7.91 2 0 1000.00 -999 ? >LEU~A 32 12.56 63.49 9.06 11.86 61.45 9.28 12.21 62.47 9.17 3 0 1000.00 -999 ? >ALA~A 33 14.84 65.13 12.43 16.31 65.48 12.10 15.58 65.30 12.26 2 0 1000.00 -999 ? >ALA~A 34 13.15 68.29 13.71 12.99 69.57 12.91 13.07 68.93 13.31 2 0 1000.00 -999 ? >LYS~A 35 9.68 66.73 13.96 4.04 66.59 13.56 6.86 66.66 13.76 2 0 1000.00 -999 ? >ASP~A 36 10.54 62.47 15.82 11.70 61.99 14.12 11.12 62.23 14.97 2 0 1000.00 -999 ? >GLY.A 37 13.65 65.54 18.11 13.05 66.12 18.01 13.35 65.83 18.06 1 0 1000.00 -999 ? >GLY.A 38 12.78 69.20 18.42 13.19 68.93 17.74 12.98 69.06 18.08 1 0 1000.00 -999 ? >SER.A 39 13.91 72.26 16.48 12.31 74.00 17.08 13.11 73.13 16.78 2 0 1000.00 -999 ? >GLU~A 40 15.03 72.94 20.77 14.16 74.85 20.51 14.59 73.90 20.64 2 0 1000.00 -999 ? >PRO~A 41 19.80 73.06 15.77 19.49 71.85 17.61 19.64 72.45 16.69 3 0 1000.00 -999 ? >ASP~A 42 22.06 73.00 21.62 20.19 73.83 22.15 21.12 73.42 21.88 2 0 1000.00 -999 ? >THR~A 43 19.46 69.17 22.16 18.09 70.51 23.16 18.78 69.84 22.66 2 0 1000.00 -999 ? >ASN~A 44 17.64 67.77 18.08 16.77 66.37 16.73 17.21 67.07 17.41 2 0 1000.00 -999 ? >ALA~A 45 21.66 65.05 17.80 22.10 63.75 18.45 21.88 64.40 18.13 2 0 1000.00 -999 ? >LYS~A 46 19.99 63.88 14.58 18.86 59.13 14.03 19.42 61.50 14.31 2 0 1000.00 -999 ? >LEU~A 47 18.25 68.42 14.52 17.38 70.22 13.70 17.81 69.32 14.11 3 0 1000.00 -999 ? >ARG~A 48 24.23 69.23 17.60 23.80 66.99 19.66 24.02 68.11 18.63 2 0 1000.00 -999 ? >THR~A 49 23.83 65.60 11.89 24.13 63.47 12.02 23.98 64.53 11.96 2 0 1000.00 -999 ? >ALA~A 50 21.25 66.59 9.27 19.75 66.60 9.50 20.50 66.59 9.38 2 0 1000.00 -999 ? >ILE~A 51 22.22 71.12 10.69 21.78 72.39 11.33 22.00 71.76 11.01 3 0 1000.00 -999 ? >LEU~A 52 26.71 68.34 10.15 28.77 67.69 10.15 27.74 68.02 10.15 3 0 1000.00 -999 ? >ASN~A 53 24.43 65.99 6.01 25.27 64.24 6.91 24.85 65.12 6.46 2 0 1000.00 -999 ? >ALA~A 54 23.29 69.91 4.34 22.00 70.51 4.83 22.65 70.21 4.59 2 0 1000.00 -999 ? >LYS~A 55 25.98 72.48 5.10 25.88 76.01 10.30 25.93 74.24 7.70 2 0 1000.00 -999 ? >ALA~A 56 28.85 70.35 3.80 29.27 69.02 4.37 29.06 69.69 4.08 2 0 1000.00 -999 ? >GLN~A 57 25.56 68.04 -0.46 27.43 67.04 -0.51 26.50 67.54 -0.49 2 0 1000.00 -999 ? >ASN~A 58 27.26 74.52 -0.87 27.62 76.53 -0.21 27.44 75.53 -0.54 2 0 1000.00 -999 ? >MET.A 59 22.69 74.30 1.04 19.28 72.36 2.64 20.98 73.33 1.84 2 0 1000.00 -999 ? >PRO~A 60 21.64 78.15 -0.54 22.04 77.30 1.46 21.84 77.72 0.46 3 0 1000.00 -999 ? >LYS~A 61 21.13 78.87 5.36 18.70 81.59 9.68 19.92 80.23 7.52 2 0 1000.00 -999 ? >ASP~A 62 17.24 81.18 3.65 17.64 83.10 4.43 17.44 82.14 4.04 2 0 1000.00 -999 ? >ASN~A 63 17.64 75.93 2.01 17.66 76.99 0.15 17.65 76.46 1.08 2 0 1000.00 -999 ? >ILE~A 64 19.27 74.87 6.81 20.56 74.20 7.13 19.91 74.54 6.97 3 0 1000.00 -999 ? >ASP~A 65 16.13 78.75 8.30 14.91 79.76 9.71 15.52 79.25 9.00 2 0 1000.00 -999 ? >ALA~A 66 12.99 76.53 6.01 13.00 76.81 4.50 12.99 76.67 5.25 2 0 1000.00 -999 ? >ALA~A 67 13.34 72.80 6.62 14.54 71.97 6.22 13.94 72.39 6.42 2 0 1000.00 -999 ? >ILE~A 68 14.48 73.93 11.21 15.55 74.04 12.06 15.02 73.98 11.63 3 0 1000.00 -999 ? >LYS~A 69 10.34 75.42 10.32 12.94 79.81 11.47 11.64 77.61 10.90 2 0 1000.00 -999 ? >ARG~A 70 8.49 72.64 4.46 11.16 73.25 3.11 9.83 72.94 3.78 2 0 1000.00 -999 ? >ALA~A 71 8.32 70.37 10.90 9.46 70.03 11.85 8.89 70.20 11.38 2 0 1000.00 -999 ? >SER.A 72 5.86 72.63 12.73 7.53 73.43 14.32 6.70 73.03 13.52 2 0 1000.00 -999 ? >SER.A 73 3.46 72.77 9.78 4.57 72.75 7.63 4.02 72.76 8.71 2 0 1000.00 -999 ? >LYS.A 74 1.01 70.62 7.82 -3.27 74.10 5.85 -1.13 72.36 6.83 2 0 1000.00 -999 ? >GLU.A 75 3.53 71.58 3.80 2.22 70.22 2.88 2.87 70.90 3.34 2 0 1000.00 -999 ? >GLY.A 76 6.05 68.39 8.46 5.37 68.01 8.31 5.71 68.20 8.38 1 0 1000.00 -999 ? >ASN.A 77 2.82 64.85 8.70 1.73 66.38 9.70 2.27 65.62 9.20 2 0 1000.00 -999 ? >LEU.A 78 8.51 63.65 6.86 8.66 65.38 5.57 8.59 64.52 6.21 3 0 1000.00 -999 ? >SER^A 79 8.14 59.43 8.02 6.32 58.35 6.82 7.23 58.89 7.42 2 0 1000.00 -999 ? >GLU^A 80 13.51 57.82 7.75 15.20 57.51 8.99 14.35 57.66 8.37 2 0 1000.00 -999 ? >ILE^A 81 8.72 53.84 5.05 7.35 53.72 5.05 8.03 53.78 5.05 3 0 1000.00 -999 ? >THR^A 82 12.33 51.13 4.23 14.26 50.61 5.05 13.30 50.87 4.64 2 0 1000.00 -999 ? >TYR^A 83 9.47 50.40 0.57 7.37 52.12 1.30 8.42 51.26 0.94 3 0 1000.00 -999 ? >GLU^A 84 13.95 44.98 2.32 14.12 43.37 3.68 14.04 44.17 3.00 2 0 1000.00 -999 ? >GLY^A 85 13.31 44.37 -3.45 14.02 44.21 -3.08 13.66 44.29 -3.26 1 0 1000.00 -999 ? >LYS^A 86 15.04 41.89 -5.72 14.57 36.75 -2.03 14.80 39.32 -3.88 2 0 1000.00 -999 ? >ALA^A 87 15.95 41.93 -9.40 16.41 43.32 -9.78 16.18 42.63 -9.59 2 0 1000.00 -999 ? >ASN.A 88 17.40 39.78 -13.54 15.48 39.30 -14.31 16.44 39.54 -13.92 2 0 1000.00 -999 ? >PHE.A 89 21.41 40.17 -13.74 20.45 40.76 -16.30 20.93 40.46 -15.02 3 0 1000.00 -999 ? >GLY.A 90 20.84 37.98 -7.97 20.79 38.70 -8.33 20.82 38.34 -8.15 1 0 1000.00 -999 ? >VAL^A 91 20.43 41.68 -7.20 20.66 43.48 -8.42 20.54 42.58 -7.81 3 0 1000.00 -999 ? >LEU^A 92 19.63 42.00 -2.58 19.37 39.89 -2.17 19.50 40.95 -2.37 3 0 1000.00 -999 ? >ILE^A 93 16.98 46.85 -4.34 16.80 47.37 -5.51 16.89 47.11 -4.92 3 0 1000.00 -999 ? >ILE^A 94 18.23 48.11 1.25 17.49 47.41 2.39 17.86 47.76 1.82 3 0 1000.00 -999 ? >MET^A 95 15.33 51.43 -0.41 13.22 49.92 -3.78 14.27 50.68 -2.09 2 0 1000.00 -999 ? >GLU^A 96 17.16 53.23 3.66 18.77 53.76 4.91 17.97 53.49 4.28 2 0 1000.00 -999 ? >CYH^A 97 12.53 56.70 1.99 11.84 55.23 -0.41 12.18 55.97 0.79 2 0 1000.00 -999 ? >MET^A 98 11.18 59.74 3.77 14.74 61.62 5.20 12.96 60.68 4.49 2 0 1000.00 -999 ? >THR^A 99 7.66 60.60 2.65 6.43 59.03 1.88 7.05 59.82 2.27 2 0 1000.00 -999 ? >ASP.A 100 4.42 64.06 3.26 4.07 64.50 1.21 4.25 64.28 2.24 2 0 1000.00 -999 ? >ASN~A 101 1.72 60.46 0.88 -0.08 59.52 0.24 0.82 59.99 0.56 2 0 1000.00 -999 ? >PRO~A 102 3.63 56.57 4.71 3.30 56.80 2.52 3.46 56.68 3.62 3 0 1000.00 -999 ? >THR~A 103 0.65 55.05 0.15 -1.52 54.94 0.36 -0.43 55.00 0.26 2 0 1000.00 -999 ? >ARG~A 104 2.85 60.69 -3.94 4.06 61.96 -1.43 3.45 61.32 -2.69 2 0 1000.00 -999 ? >THR~A 105 5.45 55.98 -2.18 6.90 56.60 -0.72 6.18 56.29 -1.45 2 0 1000.00 -999 ? >ILE~A 106 3.92 51.44 -1.11 3.87 50.61 -1.11 3.89 51.03 -1.11 3 0 1000.00 -999 ? >ALA~A 107 2.58 52.70 -5.25 1.36 53.61 -5.33 1.97 53.15 -5.29 2 0 1000.00 -999 ? >ASN~A 108 5.87 55.89 -6.92 4.53 57.52 -7.21 5.20 56.70 -7.06 2 0 1000.00 -999 ? >LEU~A 109 8.37 51.65 -4.84 9.95 52.68 -3.80 9.16 52.16 -4.32 3 0 1000.00 -999 ? >LYS~A 110 5.76 49.20 -7.45 4.15 46.74 -2.93 4.96 47.97 -5.19 2 0 1000.00 -999 ? >SER~A 111 5.26 51.00 -10.76 5.63 53.41 -10.90 5.44 52.21 -10.83 2 0 1000.00 -999 ? >TYR~A 112 9.70 53.20 -9.90 9.11 55.86 -9.30 9.40 54.53 -9.60 3 0 1000.00 -999 ? >PHE~A 113 10.50 46.93 -8.27 12.67 47.36 -6.55 11.58 47.14 -7.41 3 0 1000.00 -999 ? >ASN~A 114 4.92 46.68 -12.06 4.43 45.49 -10.37 4.68 46.08 -11.21 2 0 1000.00 -999 ? >LYS.A 115 8.13 47.94 -15.56 10.47 53.30 -17.76 9.30 50.62 -16.66 2 0 1000.00 -999 ? >THR.A 116 11.27 45.81 -15.37 12.72 45.96 -13.77 11.99 45.88 -14.57 2 0 1000.00 -999 ? >GLN.A 117 10.50 42.19 -18.59 11.32 44.11 -19.03 10.91 43.15 -18.81 2 0 1000.00 -999 ? >GLY.A 118 12.12 39.86 -13.21 11.86 40.58 -13.06 11.99 40.22 -13.13 1 0 1000.00 -999 ? >ALA.A 119 12.07 42.59 -10.57 12.64 43.96 -10.92 12.36 43.27 -10.74 2 0 1000.00 -999 ? >SER^A 120 9.72 42.92 -7.61 9.58 40.62 -6.79 9.65 41.77 -7.20 2 0 1000.00 -999 ? >ILE^A 121 8.41 45.61 -3.77 7.37 46.24 -3.10 7.89 45.92 -3.43 3 0 1000.00 -999 ? >VAL^A 122 9.50 41.84 -1.36 11.43 40.95 -1.82 10.46 41.40 -1.59 3 0 1000.00 -999 ? >PRO.A 123 8.10 39.49 1.98 8.42 41.66 1.56 8.26 40.58 1.77 3 0 1000.00 -999 ? >ASN.A 124 10.17 44.71 5.68 10.31 46.64 4.78 10.24 45.67 5.23 2 0 1000.00 -999 ? >GLY.A 125 12.87 41.07 6.42 12.87 41.10 5.58 12.87 41.09 6.00 1 0 1000.00 -999 ? >SER.A 126 13.38 39.10 3.21 11.27 39.05 1.97 12.32 39.08 2.59 2 0 1000.00 -999 ? >LEU.A 127 17.15 41.86 2.25 16.56 42.21 0.21 16.86 42.04 1.23 3 0 1000.00 -999 ? >GLU.A 128 16.95 39.91 9.10 15.57 39.13 10.50 16.26 39.52 9.80 2 0 1000.00 -999 ? >PHE.A 129 20.20 37.32 8.97 18.63 37.04 11.26 19.41 37.18 10.11 3 0 1000.00 -999 ? >MET.A 130 22.20 39.86 3.76 21.95 37.00 2.37 22.07 38.43 3.07 2 0 1000.00 -999 ? >PHE^A 131 22.05 44.50 2.67 21.55 44.56 -0.09 21.80 44.53 1.29 3 0 1000.00 -999 ? >ASN^A 132 26.67 44.88 7.56 27.12 42.80 7.66 26.90 43.84 7.61 2 0 1000.00 -999 ? >ARG^A 133 20.86 49.67 9.24 19.87 52.59 9.31 20.36 51.13 9.28 2 0 1000.00 -999 ? >LYS^A 134 27.29 50.66 9.24 30.24 46.48 9.95 28.77 48.57 9.59 2 0 1000.00 -999 ? >SER^A 135 28.17 54.16 10.43 27.55 54.26 12.78 27.86 54.21 11.60 2 0 1000.00 -999 ? >VAL^A 136 30.06 55.92 7.64 30.06 55.06 5.65 30.06 55.49 6.65 3 0 1000.00 -999 ? >PHE^A 137 31.55 59.35 10.72 29.70 59.15 12.81 30.62 59.25 11.77 3 0 1000.00 -999 ? >GLU^A 138 32.18 60.21 3.36 31.51 60.70 1.42 31.85 60.45 2.39 2 0 1000.00 -999 ? >CYH^A 139 36.37 63.46 6.13 38.21 64.33 8.11 37.29 63.90 7.12 2 0 1000.00 -999 ? >LEU^A 140 38.26 67.25 3.84 37.18 68.20 2.22 37.72 67.72 3.03 3 0 1000.00 -999 ? >LYS~A 141 42.12 64.60 3.58 46.22 62.99 4.82 44.17 63.80 4.20 2 0 1000.00 -999 ? >ASN~A 142 42.72 69.33 2.85 43.55 69.05 0.90 43.14 69.19 1.87 2 0 1000.00 -999 ? >GLU~A 143 38.84 69.34 6.75 39.32 71.35 7.19 39.08 70.34 6.97 2 0 1000.00 -999 ? >VAL~A 144 43.19 65.80 8.78 43.03 63.64 8.59 43.11 64.72 8.68 3 0 1000.00 -999 ? >GLU~A 145 46.74 66.19 5.49 47.44 66.38 3.50 47.09 66.29 4.49 2 0 1000.00 -999 ? >ASN~A 146 43.82 71.22 8.84 43.55 73.19 9.61 43.68 72.20 9.23 2 0 1000.00 -999 ? >LEU~A 147 44.27 69.16 13.45 42.56 67.89 13.14 43.41 68.52 13.30 3 0 1000.00 -999 ? >LYS.A 148 48.59 67.71 11.58 51.50 72.47 14.51 50.04 70.09 13.04 2 0 1000.00 -999 ? >LEU.A 149 46.57 63.93 13.36 44.49 63.38 13.11 45.53 63.65 13.23 3 0 1000.00 -999 ? >SER~A 150 48.65 61.05 10.34 49.93 59.66 11.87 49.29 60.35 11.11 2 0 1000.00 -999 ? >LEU~A 151 46.09 57.94 7.64 45.13 58.97 6.00 45.61 58.46 6.82 3 0 1000.00 -999 ? >GLU~A 152 49.98 55.21 10.32 50.90 56.61 9.04 50.44 55.91 9.68 2 0 1000.00 -999 ? >ASP~A 153 47.64 59.80 14.65 49.71 59.77 15.11 48.67 59.78 14.88 2 0 1000.00 -999 ? >LEU~A 154 43.13 59.42 11.76 41.18 60.23 11.27 42.15 59.83 11.52 3 0 1000.00 -999 ? >GLU~A 155 43.23 52.72 12.33 43.45 51.50 10.62 43.34 52.11 11.48 2 0 1000.00 -999 ? >PHE~A 156 46.44 54.33 18.11 47.13 53.52 20.70 46.79 53.92 19.40 3 0 1000.00 -999 ? >ALA~A 157 42.59 57.20 18.00 42.70 58.67 17.62 42.64 57.93 17.81 2 0 1000.00 -999 ? >LEU~A 158 38.72 56.72 15.15 38.00 58.71 14.78 38.36 57.72 14.96 3 0 1000.00 -999 ? >ILE~A 159 40.89 51.72 17.37 40.66 50.46 16.55 40.78 51.09 16.96 3 0 1000.00 -999 ? >ASP.A 160 39.14 54.07 21.81 40.88 52.99 22.34 40.01 53.53 22.08 2 0 1000.00 -999 ? >TYR.A 161 36.14 57.51 20.09 37.28 58.93 22.23 36.71 58.22 21.16 3 0 1000.00 -999 ? >GLY.A 162 33.96 52.51 17.07 34.60 52.77 16.83 34.28 52.64 16.95 1 0 1000.00 -999 ? >LEU^A 163 37.42 53.40 13.74 39.04 53.30 12.32 38.23 53.35 13.03 3 0 1000.00 -999 ? >GLU^A 164 33.90 48.27 12.84 32.14 47.30 12.20 33.02 47.79 12.52 2 0 1000.00 -999 ? >GLU^A 165 35.94 49.98 7.43 35.22 48.69 5.91 35.58 49.33 6.67 2 0 1000.00 -999 ? >LEU^A 166 40.73 54.12 8.16 41.93 55.90 7.86 41.33 55.01 8.01 3 0 1000.00 -999 ? >GLU^A 167 38.70 52.61 1.51 36.96 51.98 0.48 37.83 52.30 1.00 2 0 1000.00 -999 ? >GLU^A 168 43.26 57.64 2.14 45.34 57.88 1.86 44.30 57.76 2.00 2 0 1000.00 -999 ? >VAL^A 169 39.39 58.15 -1.63 37.38 57.43 -2.08 38.38 57.79 -1.85 3 0 1000.00 -999 ? >GLU.A 170 42.42 60.41 -5.46 44.26 61.35 -5.01 43.34 60.88 -5.24 2 0 1000.00 -999 ? >ASP.A 171 40.35 65.13 -2.15 39.98 67.04 -1.32 40.17 66.09 -1.74 2 0 1000.00 -999 ? >LYS^A 172 39.02 62.50 1.52 33.56 61.00 -1.33 36.29 61.75 0.10 2 0 1000.00 -999 ? >ILE^A 173 39.91 60.05 5.49 41.19 59.38 5.20 40.55 59.72 5.35 3 0 1000.00 -999 ? >ILE^A 174 35.53 56.70 3.60 34.55 56.56 2.57 35.04 56.63 3.08 3 0 1000.00 -999 ? >ILE^A 175 36.20 56.76 9.45 36.99 57.19 10.38 36.60 56.97 9.92 3 0 1000.00 -999 ? >ARG^A 176 32.62 51.69 5.37 34.24 52.49 2.89 33.43 52.09 4.13 2 0 1000.00 -999 ? >GLY^A 177 32.04 51.51 12.09 31.40 51.55 11.47 31.72 51.53 11.78 1 0 1000.00 -999 ? >ASP^A 178 29.03 48.49 14.43 27.30 47.29 14.43 28.17 47.89 14.43 2 0 1000.00 -999 ? >TYR.A 179 23.10 51.04 13.24 20.76 52.22 14.22 21.93 51.63 13.73 3 0 1000.00 -999 ? >ASN.A 180 25.22 50.12 17.80 23.63 48.85 17.19 24.42 49.48 17.49 2 0 1000.00 -999 ? >SER~A 181 28.73 53.11 17.04 30.10 51.10 16.99 29.41 52.11 17.01 2 0 1000.00 -999 ? >PHE~A 182 25.86 57.64 13.83 25.67 59.92 12.22 25.77 58.78 13.03 3 0 1000.00 -999 ? >LYS~A 183 27.12 58.48 18.33 25.92 60.45 23.47 26.52 59.46 20.90 2 0 1000.00 -999 ? >LEU~A 184 30.87 56.05 20.20 32.40 55.51 21.62 31.63 55.78 20.91 3 0 1000.00 -999 ? >LEU~A 185 32.02 57.16 15.15 33.26 55.61 14.31 32.64 56.39 14.73 3 0 1000.00 -999 ? >ASN~A 186 29.42 61.75 16.38 28.54 62.32 14.53 28.98 62.03 15.45 2 0 1000.00 -999 ? >GLU~A 187 32.49 61.69 22.24 32.42 60.36 23.88 32.46 61.02 23.06 2 0 1000.00 -999 ? >GLY~A 188 35.79 60.82 18.42 35.29 61.41 18.14 35.54 61.12 18.28 1 0 1000.00 -999 ? >PHE~A 189 35.00 62.20 13.27 35.65 60.37 11.26 35.33 61.29 12.27 3 0 1000.00 -999 ? >GLU~A 190 32.17 66.25 17.57 30.28 65.98 18.47 31.23 66.11 18.02 2 0 1000.00 -999 ? >SER~A 191 37.42 65.12 20.33 36.60 63.32 21.75 37.01 64.22 21.04 2 0 1000.00 -999 ? >LEU~A 192 40.26 64.36 16.52 41.26 62.46 16.77 40.76 63.41 16.65 3 0 1000.00 -999 ? >LYS.A 193 38.21 68.57 16.37 38.85 71.00 21.16 38.53 69.79 18.77 2 0 1000.00 -999 ? >LEU.A 194 38.65 65.51 12.77 39.60 64.66 11.02 39.12 65.08 11.89 3 0 1000.00 -999 ? >PRO.A 195 36.92 70.27 10.51 36.11 68.25 10.95 36.51 69.26 10.73 3 0 1000.00 -999 ? >ILE.A 196 31.98 65.19 10.00 31.46 64.22 10.81 31.72 64.70 10.40 3 0 1000.00 -999 ? >LEU.A 197 33.13 65.59 4.29 33.16 66.26 2.23 33.14 65.93 3.26 3 0 1000.00 -999 ? >LYS^A 198 29.36 63.72 5.72 26.17 60.38 1.36 27.77 62.05 3.54 2 0 1000.00 -999 ? >ALA^A 199 27.99 61.38 8.38 27.99 61.92 9.78 27.99 61.65 9.08 2 0 1000.00 -999 ? >SER^A 200 25.39 58.69 7.72 25.97 57.94 5.47 25.68 58.32 6.60 2 0 1000.00 -999 ? >LEU^A 201 23.04 54.92 9.24 23.16 55.19 11.39 23.10 55.06 10.31 3 0 1000.00 -999 ? >GLN^A 202 25.77 54.63 3.80 27.47 54.91 2.53 26.62 54.77 3.17 2 0 1000.00 -999 ? >ARG^A 203 20.19 48.43 5.54 17.82 50.31 6.09 19.01 49.37 5.82 2 0 1000.00 -999 ? >ILE^A 204 27.81 47.57 3.67 28.38 48.63 2.80 28.09 48.10 3.23 3 0 1000.00 -999 ? >ALA^A 205 25.80 43.89 1.48 25.66 43.65 -0.01 25.73 43.77 0.74 2 0 1000.00 -999 ? >THR.A 206 27.55 41.03 3.28 26.02 39.92 4.34 26.78 40.47 3.81 2 0 1000.00 -999 ? >THR.A 207 28.25 39.23 0.02 28.16 37.08 0.08 28.20 38.15 0.05 2 0 1000.00 -999 ? >PRO.A 208 30.12 42.85 -1.34 28.81 41.30 -2.27 29.46 42.08 -1.81 3 0 1000.00 -999 ? >ILE.A 209 26.73 40.06 -6.82 25.32 40.03 -6.68 26.03 40.04 -6.75 3 0 1000.00 -999 ? >GLU.A 210 31.71 40.20 -9.87 33.81 40.14 -9.59 32.76 40.17 -9.73 2 0 1000.00 -999 ? >LEU.A 211 26.33 42.90 -12.89 24.60 42.70 -11.62 25.47 42.80 -12.25 3 0 1000.00 -999 ? >ASN~A 212 28.91 40.89 -17.45 26.92 40.25 -17.90 27.91 40.57 -17.68 2 0 1000.00 -999 ? >ASP~A 213 29.32 45.56 -19.72 31.06 46.56 -19.06 30.19 46.06 -19.39 2 0 1000.00 -999 ? >GLU~A 214 23.73 42.05 -21.32 23.79 40.40 -22.63 23.76 41.22 -21.98 2 0 1000.00 -999 ? >GLN~A 215 23.70 40.56 -15.81 25.03 39.03 -15.18 24.37 39.80 -15.49 2 0 1000.00 -999 ? >MET~A 216 24.82 46.33 -15.10 26.03 47.88 -12.43 25.42 47.11 -13.76 2 0 1000.00 -999 ? >GLU~A 217 23.36 49.17 -20.33 23.57 48.79 -22.40 23.46 48.98 -21.36 2 0 1000.00 -999 ? >LEU~A 218 19.74 44.63 -17.76 19.28 43.67 -19.64 19.51 44.15 -18.70 3 0 1000.00 -999 ? >THR~A 219 19.88 46.77 -13.82 20.75 45.64 -12.19 20.31 46.21 -13.01 2 0 1000.00 -999 ? >GLU~A 220 22.93 51.90 -14.45 24.85 51.74 -15.32 23.89 51.82 -14.88 2 0 1000.00 -999 ? >LYS~A 221 17.49 51.05 -15.84 14.18 51.41 -20.13 15.84 51.23 -17.99 2 0 1000.00 -999 ? >LEU~A 222 15.38 48.71 -12.18 14.12 48.03 -10.56 14.75 48.37 -11.37 3 0 1000.00 -999 ? >LEU~A 223 19.55 51.23 -10.13 20.07 49.54 -8.89 19.81 50.39 -9.51 3 0 1000.00 -999 ? >ASP~A 224 18.32 55.36 -13.43 20.43 55.24 -13.66 19.37 55.30 -13.55 2 0 1000.00 -999 ? >ARG~A 225 11.65 53.62 -14.42 12.46 50.75 -15.10 12.06 52.19 -14.76 2 0 1000.00 -999 ? >ILE~A 226 14.69 53.24 -7.50 14.63 52.02 -6.83 14.66 52.63 -7.16 3 0 1000.00 -999 ? >GLU~A 227 19.40 57.56 -7.04 20.08 56.50 -5.33 19.74 57.03 -6.18 2 0 1000.00 -999 ? >ASP~A 228 14.77 59.49 -10.70 13.80 61.21 -11.46 14.28 60.35 -11.08 2 0 1000.00 -999 ? >ASP.A 229 11.39 57.99 -6.37 9.47 58.23 -5.51 10.43 58.11 -5.94 2 0 1000.00 -999 ? >ASP.A 230 10.54 63.46 -4.89 10.58 64.30 -6.82 10.56 63.88 -5.85 2 0 1000.00 -999 ? >ASP.A 231 9.58 59.31 -1.53 7.88 60.55 -1.80 8.73 59.93 -1.66 2 0 1000.00 -999 ? >VAL^A 232 13.88 57.73 -1.98 14.14 55.98 -3.25 14.01 56.85 -2.62 3 0 1000.00 -999 ? >VAL^A 233 16.63 59.34 0.12 15.69 59.84 2.02 16.16 59.59 1.07 3 0 1000.00 -999 ? >ALA^A 234 18.87 56.26 0.06 19.25 55.92 1.50 19.06 56.09 0.78 2 0 1000.00 -999 ? >LEU^A 235 19.10 53.61 -3.68 18.49 52.08 -5.08 18.79 52.85 -4.38 3 0 1000.00 -999 ? >TYR^A 236 22.06 51.23 0.94 22.59 53.54 2.43 22.33 52.39 1.69 3 0 1000.00 -999 ? >THR^A 237 22.27 47.29 -3.58 22.45 48.24 -5.52 22.36 47.77 -4.55 2 0 1000.00 -999 ? >ASN.A 238 23.82 42.80 -3.01 23.55 41.70 -4.81 23.69 42.25 -3.91 2 0 1000.00 -999 ? >ILE.A 239 25.78 46.06 -7.47 25.19 46.27 -8.69 25.49 46.16 -8.08 3 0 1000.00 -999 ? >GLU.A 240 32.54 44.85 -6.19 33.07 46.03 -4.51 32.80 45.44 -5.35 2 0 1000.00 -999 ?