REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JAN-08 3BUU COMPND UNCHARACTERIZED LOLA SUPERFAMILY PROTEIN NE2245; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 32-257; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA ATCC 19718; SOURCE 3 ORGANISM_TAXID: 228410; SOURCE 4 STRAIN: IFO 14298; SOURCE 5 GENE: NE2245; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVE; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR C.CHANG,R.WU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 87 8 HET MSE A 101 8 HET MSE A 110 13 HET MSE A 214 8 HET MSE A 221 13 HET MSE A 238 8 HET MSE B 87 8 HET MSE B 101 13 HET MSE B 110 16 HET MSE B 214 8 HET MSE B 221 13 HET MSE B 238 8 >ALA.A 34 16.27 14.53 47.60 17.01 13.62 48.58 16.64 14.08 48.09 2 0 1000.00 -999 ? >VAL.A 35 18.85 16.93 46.24 18.84 19.15 46.38 18.85 18.04 46.31 3 0 1000.00 -999 ? >THR~A 36 22.24 15.30 45.80 21.83 13.65 44.49 22.03 14.47 45.14 2 0 1000.00 -999 ? >ALA~A 37 25.69 16.83 45.23 27.00 16.39 45.87 26.34 16.61 45.55 2 0 1000.00 -999 ? >GLN~A 38 25.34 13.55 39.94 24.90 11.53 39.52 25.12 12.54 39.73 2 0 1000.00 -999 ? >SER~A 39 22.13 16.90 40.99 20.48 16.84 42.77 21.31 16.87 41.88 2 0 1000.00 -999 ? >ILE~A 40 23.73 20.58 43.78 23.74 21.14 45.06 23.73 20.86 44.42 3 0 1000.00 -999 ? >LEU~A 41 27.40 19.35 40.18 29.39 19.90 39.55 28.39 19.62 39.86 3 0 1000.00 -999 ? >GLU~A 42 22.41 17.75 35.79 20.99 16.14 35.93 21.70 16.95 35.86 2 0 1000.00 -999 ? >LYS~A 43 21.63 21.99 37.75 17.04 19.60 38.86 19.34 20.80 38.31 2 0 1000.00 -999 ? >ALA~A 44 24.36 24.60 38.06 25.42 24.67 39.15 24.89 24.63 38.60 2 0 1000.00 -999 ? >ASP~A 45 26.42 21.89 34.51 28.33 21.25 35.16 27.37 21.57 34.84 2 0 1000.00 -999 ? >GLU~A 46 20.61 22.80 34.13 19.14 21.27 34.32 19.88 22.03 34.22 2 0 1000.00 -999 ? >ILE~A 47 22.00 27.59 35.50 21.32 28.15 36.53 21.66 27.87 36.01 3 0 1000.00 -999 ? >ARG~A 48 28.81 29.25 33.13 31.01 30.48 31.26 29.91 29.87 32.19 2 0 1000.00 -999 ? >PHE~A 49 27.89 26.92 28.90 30.10 28.61 28.62 29.00 27.76 28.76 3 0 1000.00 -999 ? >PRO.A 50 23.13 26.41 25.77 23.43 25.12 27.56 23.28 25.77 26.67 3 0 1000.00 -999 ? >GLN.A 51 23.20 20.62 30.08 25.26 20.83 30.54 24.23 20.72 30.31 2 0 1000.00 -999 ? >ASP.A 52 22.52 21.43 23.47 21.60 20.64 21.80 22.06 21.03 22.63 2 0 1000.00 -999 ? >SER.A 53 26.19 21.81 21.07 25.20 20.75 19.15 25.70 21.28 20.11 2 0 1000.00 -999 ? >PHE^A 54 26.71 26.26 23.20 28.38 26.48 25.42 27.54 26.37 24.31 3 0 1000.00 -999 ? >GLN^A 55 27.68 29.63 17.55 28.27 30.54 15.69 27.97 30.09 16.62 2 0 1000.00 -999 ? >VAL^A 56 29.39 31.53 21.70 29.60 31.51 23.91 29.50 31.52 22.81 3 0 1000.00 -999 ? >ASN^A 57 31.14 35.85 20.85 32.74 37.04 20.40 31.94 36.44 20.63 2 0 1000.00 -999 ? >VAL^A 58 33.88 35.38 24.50 34.26 33.71 25.88 34.07 34.55 25.19 3 0 1000.00 -999 ? >ALA^A 59 35.63 38.69 25.16 34.92 40.01 24.99 35.28 39.35 25.07 2 0 1000.00 -999 ? >ILE^A 60 39.17 37.40 27.99 39.48 36.08 28.58 39.32 36.74 28.29 3 0 1000.00 -999 ? >ARG^A 61 37.66 45.07 28.18 35.56 46.78 29.66 36.61 45.92 28.92 2 0 1000.00 -999 ? >THR^A 62 42.41 41.50 31.88 43.51 39.66 32.15 42.96 40.58 32.01 2 0 1000.00 -999 ? >ALA^A 63 43.89 44.31 33.92 43.04 45.56 33.86 43.47 44.93 33.89 2 0 1000.00 -999 ? >ALA^A 64 45.92 44.90 37.01 47.17 44.05 37.24 46.55 44.47 37.12 2 0 1000.00 -999 ? >PRO.A 65 45.87 47.24 40.67 46.71 47.35 38.58 46.29 47.30 39.63 3 0 1000.00 -999 ? >ASP.A 66 50.92 49.29 37.63 50.87 50.53 39.33 50.90 49.91 38.48 2 0 1000.00 -999 ? >ALA^A 68 46.47 46.06 31.40 45.45 47.13 31.01 45.96 46.59 31.21 2 0 1000.00 -999 ? >GLU.A 69 46.65 41.29 30.17 48.75 41.19 29.99 47.70 41.24 30.08 2 0 1000.00 -999 ? >ASP.A 70 45.77 43.63 23.91 47.51 44.74 23.49 46.64 44.19 23.70 2 0 1000.00 -999 ? >LEU.A 71 40.32 43.57 24.20 38.21 43.05 23.83 39.27 43.31 24.02 3 0 1000.00 -999 ? >TYR^A 72 43.40 37.96 24.56 46.19 37.94 24.49 44.79 37.94 24.52 3 0 1000.00 -999 ? >ARG^A 73 36.29 40.75 20.42 34.68 42.96 21.77 35.48 41.85 21.09 2 0 1000.00 -999 ? >TYR^A 74 39.01 33.42 22.70 41.44 33.90 23.94 40.23 33.66 23.32 3 0 1000.00 -999 ? >GLN^A 75 33.20 31.44 17.22 32.89 30.92 15.19 33.05 31.18 16.20 2 0 1000.00 -999 ? >VAL^A 76 33.93 28.91 20.79 34.31 28.70 22.90 34.12 28.81 21.84 3 0 1000.00 -999 ? >LEU^A 77 32.74 25.30 17.87 32.39 26.35 16.00 32.56 25.83 16.93 3 0 1000.00 -999 ? >SER^A 78 31.28 23.78 22.24 30.62 23.82 24.58 30.95 23.80 23.41 2 0 1000.00 -999 ? >LYS^A 79 30.24 20.13 22.20 29.41 15.83 17.77 29.82 17.98 19.98 2 0 1000.00 -999 ? >GLY.A 80 30.11 19.34 25.90 30.76 19.61 25.44 30.44 19.47 25.67 1 0 1000.00 -999 ? >ASN.A 81 33.33 17.62 28.91 32.90 19.07 30.38 33.11 18.34 29.64 2 0 1000.00 -999 ? >GLU.A 82 33.19 13.54 25.53 32.25 14.32 27.24 32.72 13.93 26.39 2 0 1000.00 -999 ? >ASN^A 83 34.46 17.78 20.41 35.17 15.89 19.91 34.81 16.83 20.16 2 0 1000.00 -999 ? >SER^A 84 35.41 21.93 21.25 36.62 22.68 23.18 36.01 22.31 22.21 2 0 1000.00 -999 ? >ILE^A 85 36.87 24.48 17.55 37.10 24.21 16.21 36.99 24.35 16.88 3 0 1000.00 -999 ? >VAL^A 86 38.37 27.80 20.39 38.62 28.18 22.53 38.49 27.99 21.46 3 0 1000.00 -999 ? >MET?A 87 39.39 30.32 17.72 37.41 28.72 14.24 38.40 29.52 15.98 2 0 1000.00 -999 ? >ILE^A 88 42.56 33.77 19.16 43.66 34.37 19.45 43.11 34.07 19.30 3 0 1000.00 -999 ? >THR^A 89 39.92 36.60 16.76 37.75 36.44 17.05 38.83 36.52 16.91 2 0 1000.00 -999 ? >GLU.A 90 40.98 41.78 18.85 39.47 43.17 19.34 40.22 42.48 19.09 2 0 1000.00 -999 ? >PRO.A 91 45.69 40.39 21.24 44.11 40.21 19.64 44.90 40.30 20.44 3 0 1000.00 -999 ? >ALA.A 92 45.81 40.76 15.67 46.08 41.99 14.89 45.95 41.37 15.28 2 0 1000.00 -999 ? >SER.A 93 49.17 39.36 16.86 49.38 39.96 19.24 49.28 39.66 18.05 2 0 1000.00 -999 ? >GLU.A 94 47.68 36.92 20.39 48.99 35.84 21.64 48.34 36.38 21.02 2 0 1000.00 -999 ? >ARG.A 95 42.40 38.15 12.90 42.40 41.20 13.34 42.40 39.67 13.12 2 0 1000.00 -999 ? >GLY.A 96 44.33 32.68 13.64 44.41 32.66 14.46 44.37 32.67 14.05 1 0 1000.00 -999 ? >GLN.A 97 47.69 31.54 17.71 48.36 32.56 19.45 48.03 32.05 18.58 2 0 1000.00 -999 ? >ALA^A 98 43.18 27.82 17.36 42.53 27.30 16.09 42.85 27.56 16.72 2 0 1000.00 -999 ? >ILE^A 99 42.30 25.71 21.38 43.50 25.57 22.16 42.90 25.64 21.77 3 0 1000.00 -999 ? >LEU^A 100 41.57 21.06 17.97 40.50 19.43 16.99 41.04 20.24 17.48 3 0 1000.00 -999 ? >MET?A 101 39.90 19.73 22.13 37.92 20.41 25.84 38.91 20.07 23.98 2 0 1000.00 -999 ? >LYS^A 102 39.30 16.00 21.83 42.94 15.01 16.91 41.12 15.50 19.37 2 0 1000.00 -999 ? >GLY.A 103 38.51 14.50 25.22 38.79 15.24 24.98 38.65 14.87 25.10 1 0 1000.00 -999 ? >ARG.A 104 39.43 13.93 29.69 40.41 12.08 31.94 39.92 13.00 30.81 2 0 1000.00 -999 ? >ASP^A 105 44.18 15.47 24.19 44.86 13.85 25.38 44.52 14.66 24.79 2 0 1000.00 -999 ? >LEU^A 106 44.45 21.22 24.11 42.99 22.04 25.42 43.72 21.63 24.76 3 0 1000.00 -999 ? >TRP^A 107 47.18 17.75 18.62 44.40 15.67 20.45 45.79 16.71 19.54 3 0 1000.00 -999 ? >VAL^A 108 47.11 24.21 19.50 47.44 25.40 21.26 47.27 24.80 20.38 3 0 1000.00 -999 ? >PHE^A 109 45.86 24.27 14.97 44.80 21.69 14.87 45.33 22.98 14.92 3 0 1000.00 -999 ? >MET?A 110 50.46 28.36 15.84 51.70 28.22 19.79 51.08 28.29 17.82 2 0 1000.00 -999 ? >PRO.A 111 52.21 32.13 14.41 51.98 30.04 13.69 52.10 31.08 14.05 3 0 1000.00 -999 ? >SER.A 112 55.81 28.90 13.86 55.94 28.63 16.27 55.87 28.77 15.06 2 0 1000.00 -999 ? >VAL.A 113 54.89 25.26 13.22 54.79 24.70 15.38 54.84 24.98 14.30 3 0 1000.00 -999 ? >SER.A 114 53.26 23.31 10.39 54.72 21.38 9.95 53.99 22.34 10.17 2 0 1000.00 -999 ? >GLN.A 115 52.66 18.80 11.61 51.02 18.62 10.28 51.84 18.71 10.94 2 0 1000.00 -999 ? >PRO.A 116 48.14 20.08 15.33 49.93 21.38 15.30 49.03 20.73 15.31 3 0 1000.00 -999 ? >ILE^A 117 52.47 22.40 19.66 52.46 23.25 19.90 52.47 22.83 19.78 3 0 1000.00 -999 ? >ARG^A 118 48.80 17.53 22.59 46.51 15.72 21.63 47.65 16.63 22.11 2 0 1000.00 -999 ? >LEU^A 119 48.73 23.82 25.57 50.14 25.48 25.15 49.43 24.65 25.36 3 0 1000.00 -999 ? >SER.A 120 47.01 21.07 28.69 47.93 21.67 30.84 47.47 21.37 29.77 2 0 1000.00 -999 ? >LEU.A 121 42.52 21.19 30.52 40.89 20.36 29.39 41.70 20.78 29.96 3 0 1000.00 -999 ? >SER.A 122 45.31 23.54 33.11 45.37 21.68 34.53 45.34 22.61 33.82 2 0 1000.00 -999 ? >GLN.A 123 49.72 24.54 30.66 51.09 23.89 29.24 50.41 24.21 29.95 2 0 1000.00 -999 ? >ARG^A 124 49.61 31.06 33.39 48.12 32.17 35.81 48.86 31.61 34.60 2 0 1000.00 -999 ? >LEU^A 125 43.50 30.80 27.92 42.30 31.02 26.16 42.90 30.91 27.04 3 0 1000.00 -999 ? >THR^A 126 45.28 34.64 28.91 44.13 36.15 27.89 44.71 35.40 28.40 2 0 1000.00 -999 ? >GLY.A 127 45.22 36.55 32.17 45.31 35.73 32.04 45.26 36.14 32.11 1 0 1000.00 -999 ? >GLN.A 128 43.63 36.27 36.75 45.27 35.29 37.68 44.45 35.78 37.22 2 0 1000.00 -999 ? >VAL^A 129 41.83 32.22 32.39 40.23 33.00 31.13 41.03 32.61 31.76 3 0 1000.00 -999 ? >ALA^A 130 42.97 28.60 31.92 42.79 27.55 32.97 42.88 28.07 32.44 2 0 1000.00 -999 ? >ASN~A 131 43.46 25.77 28.02 45.18 26.65 27.14 44.32 26.21 27.58 2 0 1000.00 -999 ? >GLY~A 132 39.82 24.56 30.22 39.86 25.38 30.27 39.84 24.97 30.24 1 0 1000.00 -999 ? >ASP~A 133 38.39 28.83 32.11 39.32 28.53 33.96 38.85 28.68 33.03 2 0 1000.00 -999 ? >ILE~A 134 37.98 29.48 27.01 38.46 30.10 25.86 38.22 29.79 26.43 3 0 1000.00 -999 ? >ALA~A 135 37.30 24.96 26.11 38.65 24.29 25.85 37.97 24.62 25.98 2 0 1000.00 -999 ? >ARG.A 136 37.28 19.94 29.58 36.79 17.03 28.84 37.03 18.48 29.21 2 0 1000.00 -999 ? >ALA.A 137 31.68 23.48 29.14 30.52 23.10 28.20 31.10 23.29 28.67 2 0 1000.00 -999 ? >ASN.A 138 29.76 20.41 31.91 28.31 21.08 30.48 29.04 20.75 31.20 2 0 1000.00 -999 ? >PHE.A 139 32.18 22.63 37.19 33.10 25.24 37.58 32.64 23.93 37.39 3 0 1000.00 -999 ? >THR.A 140 30.02 17.31 35.61 27.94 16.77 35.77 28.98 17.04 35.69 2 0 1000.00 -999 ? >GLY.A 141 32.21 14.47 34.35 32.53 15.03 34.86 32.37 14.75 34.60 1 0 1000.00 -999 ? >ASP.A 142 35.86 17.58 34.73 36.21 17.65 32.66 36.04 17.62 33.69 2 0 1000.00 -999 ? >TYR^A 143 35.67 18.84 38.86 37.51 20.48 37.53 36.59 19.66 38.19 3 0 1000.00 -999 ? >HIS^A 144 33.53 12.76 43.77 32.40 12.09 45.41 32.97 12.42 44.59 3 0 1000.00 -999 ? >PRO^A 145 29.38 15.86 42.35 31.40 16.07 43.33 30.39 15.96 42.84 3 0 1000.00 -999 ? >GLN^A 146 31.20 15.20 49.69 32.65 13.88 50.58 31.93 14.54 50.14 2 0 1000.00 -999 ? >LEU^A 147 27.37 18.79 50.38 26.11 20.38 51.18 26.74 19.58 50.78 3 0 1000.00 -999 ? >LEU^A 148 32.54 21.49 51.29 34.41 21.79 52.29 33.47 21.64 51.79 3 0 1000.00 -999 ? >ARG^A 149 31.64 25.80 54.69 34.17 26.66 53.03 32.90 26.23 53.86 2 0 1000.00 -999 ? >ASN^A 150 24.80 24.84 53.94 24.07 23.10 52.91 24.43 23.97 53.43 2 0 1000.00 -999 ? >GLU^A 151 29.44 29.03 53.51 31.12 30.04 52.69 30.28 29.54 53.10 2 0 1000.00 -999 ? >SER^A 152 24.61 31.92 54.35 24.42 31.77 56.82 24.52 31.84 55.59 2 0 1000.00 -999 ? >ILE^A 153 26.83 35.13 51.74 28.15 35.13 51.07 27.49 35.13 51.40 3 0 1000.00 -999 ? >ASP.A 154 22.93 38.63 52.78 22.60 40.61 53.53 22.77 39.62 53.15 2 0 1000.00 -999 ? >ASP.A 155 18.05 37.06 53.32 17.66 38.14 51.53 17.86 37.60 52.42 2 0 1000.00 -999 ? >GLU^A 156 20.69 35.40 48.70 19.07 34.48 47.74 19.88 34.94 48.22 2 0 1000.00 -999 ? >ASP^A 157 20.95 29.25 52.04 19.95 30.03 53.70 20.45 29.64 52.87 2 0 1000.00 -999 ? >TYR^A 158 25.36 30.62 48.46 24.65 33.18 47.69 25.00 31.90 48.07 3 0 1000.00 -999 ? >TYR^A 159 23.52 23.48 47.99 20.81 22.71 48.13 22.17 23.10 48.06 3 0 1000.00 -999 ? >VAL^A 160 29.33 24.80 48.87 30.66 26.18 49.91 30.00 25.49 49.39 3 0 1000.00 -999 ? >LEU^A 161 29.82 21.54 45.35 27.76 20.85 45.02 28.79 21.20 45.18 3 0 1000.00 -999 ? >GLU^A 162 35.97 19.44 47.79 37.16 19.22 49.51 36.56 19.33 48.65 2 0 1000.00 -999 ? >LEU^A 163 34.49 20.28 42.17 32.45 20.92 41.66 33.47 20.60 41.92 3 0 1000.00 -999 ? >THR^A 164 37.64 16.87 43.22 38.25 15.57 44.85 37.94 16.22 44.04 2 0 1000.00 -999 ? >GLY^A 165 39.29 16.50 39.83 39.22 15.95 40.46 39.25 16.23 40.14 1 0 1000.00 -999 ? >ILE.A 166 37.72 12.40 37.71 36.73 12.30 36.83 37.23 12.35 37.27 3 0 1000.00 -999 ? >ASP.A 167 42.77 11.92 36.27 41.89 12.47 34.46 42.33 12.19 35.36 2 0 1000.00 -999 ? >ARG.A 168 48.60 13.52 38.40 50.44 11.81 36.60 49.52 12.67 37.50 2 0 1000.00 -999 ? >SER.A 169 44.50 16.12 33.09 43.32 14.34 31.95 43.91 15.23 32.52 2 0 1000.00 -999 ? >VAL.A 170 41.38 18.01 34.09 40.03 16.93 35.46 40.71 17.47 34.78 3 0 1000.00 -999 ? >THR.A 171 41.65 21.75 34.51 40.61 23.28 33.37 41.13 22.52 33.94 2 0 1000.00 -999 ? >TYR.A 172 40.89 24.08 38.26 40.68 26.39 36.71 40.79 25.24 37.48 3 0 1000.00 -999 ? >GLN.A 173 44.91 18.52 40.62 44.06 16.88 39.50 44.48 17.70 40.06 2 0 1000.00 -999 ? >LYS^A 174 40.07 21.00 43.40 40.45 22.25 49.60 40.26 21.62 46.50 2 0 1000.00 -999 ? >VAL^A 175 37.32 23.60 43.01 36.72 24.28 41.00 37.02 23.94 42.00 3 0 1000.00 -999 ? >LEU^A 176 35.26 25.52 47.01 36.14 24.37 48.61 35.70 24.94 47.81 3 0 1000.00 -999 ? >LEU^A 177 31.22 25.10 42.79 30.10 25.81 41.05 30.66 25.45 41.92 3 0 1000.00 -999 ? >TRP^A 178 29.37 30.03 48.63 33.19 29.10 48.57 31.28 29.57 48.60 3 0 1000.00 -999 ? >VAL^A 179 25.47 27.19 44.25 25.21 25.44 42.97 25.34 26.31 43.61 3 0 1000.00 -999 ? >ASN^A 180 21.81 30.29 44.49 20.56 31.60 45.55 21.18 30.95 45.02 2 0 1000.00 -999 ? >GLN.A 181 21.11 26.20 49.34 20.86 25.78 51.40 20.98 25.99 50.37 2 0 1000.00 -999 ? >SER.A 182 16.98 28.79 45.90 17.55 31.09 45.23 17.27 29.94 45.56 2 0 1000.00 -999 ? >ASN.A 183 17.25 29.81 41.48 18.75 31.24 41.84 18.00 30.52 41.66 2 0 1000.00 -999 ? >PHE.A 184 19.52 24.24 41.83 18.02 22.55 43.48 18.77 23.39 42.66 3 0 1000.00 -999 ? >ARG.A 185 20.83 32.72 39.36 19.08 34.90 38.37 19.95 33.81 38.86 2 0 1000.00 -999 ? >PRO^A 186 26.29 29.38 37.85 25.63 29.24 40.02 25.96 29.31 38.94 3 0 1000.00 -999 ? >TYR^A 187 27.29 33.27 44.81 27.91 35.43 46.41 27.60 34.35 45.61 3 0 1000.00 -999 ? >LYS^A 188 31.24 31.98 42.93 32.46 33.70 48.95 31.85 32.84 45.94 2 0 1000.00 -999 ? >ALA^A 189 34.12 29.56 42.90 34.21 28.82 41.58 34.16 29.19 42.24 2 0 1000.00 -999 ? >GLU^A 190 37.08 30.14 46.72 37.18 29.94 48.80 37.13 30.04 47.76 2 0 1000.00 -999 ? >PHE^A 191 39.24 28.05 40.24 36.86 28.51 38.85 38.05 28.28 39.54 3 0 1000.00 -999 ? >TYR^A 192 41.75 25.19 46.28 40.36 26.74 48.17 41.06 25.96 47.22 3 0 1000.00 -999 ? >SER.A 193 46.38 24.02 43.06 47.99 24.11 44.86 47.19 24.07 43.96 2 0 1000.00 -999 ? >VAL.A 194 47.54 20.44 42.82 49.09 20.28 41.24 48.32 20.36 42.03 3 0 1000.00 -999 ? >SER.A 195 48.79 20.90 46.42 50.22 22.84 46.52 49.51 21.87 46.47 2 0 1000.00 -999 ? >GLY.A 196 45.72 22.67 47.83 46.28 23.12 47.55 46.00 22.89 47.69 1 0 1000.00 -999 ? >ARG.A 197 49.30 27.34 49.51 52.18 28.08 50.29 50.74 27.71 49.90 2 0 1000.00 -999 ? >LEU^A 198 43.41 29.85 47.49 41.51 30.90 47.10 42.46 30.37 47.30 3 0 1000.00 -999 ? >LEU^A 199 45.18 29.17 41.99 46.92 27.84 41.90 46.05 28.51 41.95 3 0 1000.00 -999 ? >LYS^A 200 42.09 32.28 42.00 41.67 30.14 36.03 41.88 31.21 39.01 2 0 1000.00 -999 ? >THR^A 201 38.43 32.97 42.49 38.62 34.30 44.20 38.52 33.63 43.34 2 0 1000.00 -999 ? >SER^A 202 35.54 33.53 40.11 34.63 31.43 39.51 35.09 32.48 39.81 2 0 1000.00 -999 ? >ARG^A 203 32.63 38.38 42.54 34.50 40.44 41.18 33.56 39.41 41.86 2 0 1000.00 -999 ? >TYR^A 204 29.24 32.15 37.97 30.73 29.82 37.66 29.98 30.98 37.81 3 0 1000.00 -999 ? >GLU^A 205 28.82 38.97 38.70 29.73 40.68 39.44 29.27 39.83 39.07 2 0 1000.00 -999 ? >ASN^A 206 25.95 40.16 33.49 26.87 41.95 34.14 26.41 41.05 33.82 2 0 1000.00 -999 ? >PHE^A 207 22.59 35.26 36.19 24.28 33.54 37.60 23.43 34.40 36.90 3 0 1000.00 -999 ? >ASP^A 208 20.95 37.53 29.90 21.61 39.51 30.17 21.28 38.52 30.03 2 0 1000.00 -999 ? >ASN^A 209 15.84 35.21 29.59 14.63 33.69 28.73 15.23 34.45 29.16 2 0 1000.00 -999 ? >ILE^A 210 20.65 32.98 27.04 21.89 33.51 26.70 21.27 33.24 26.87 3 0 1000.00 -999 ? >LEU.A 211 19.39 28.81 25.07 20.12 29.05 23.01 19.75 28.93 24.04 3 0 1000.00 -999 ? >GLY.A 212 15.77 28.27 28.40 16.31 28.79 28.61 16.04 28.53 28.50 1 0 1000.00 -999 ? >GLU^A 213 18.66 27.25 31.75 17.44 26.33 33.19 18.05 26.79 32.47 2 0 1000.00 -999 ? >MET?A 214 18.80 32.75 33.19 16.73 35.41 33.23 17.76 34.08 33.21 2 0 1000.00 -999 ? >ARG^A 215 22.39 30.09 29.17 21.31 27.25 29.39 21.85 28.67 29.28 2 0 1000.00 -999 ? >PRO^A 216 26.40 32.15 34.23 24.99 33.75 33.43 25.69 32.95 33.83 3 0 1000.00 -999 ? >THR^A 217 26.98 36.36 30.78 25.36 37.57 30.06 26.17 36.97 30.42 2 0 1000.00 -999 ? >ARG^A 218 30.94 41.10 34.20 31.61 43.76 32.87 31.28 42.43 33.53 2 0 1000.00 -999 ? >ILE^A 219 33.06 34.38 34.13 32.38 33.44 34.87 32.72 33.92 34.50 3 0 1000.00 -999 ? >ILE^A 220 34.72 38.81 37.67 34.12 39.51 37.77 34.42 39.16 37.72 3 0 1000.00 -999 ? >MET?A 221 38.30 35.72 37.58 38.24 32.46 34.82 38.27 34.09 36.20 2 0 1000.00 -999 ? >GLU^A 222 38.74 38.78 40.93 38.34 40.46 42.16 38.54 39.62 41.54 2 0 1000.00 -999 ? >ASP^A 223 45.40 36.88 40.63 47.18 35.77 41.01 46.29 36.32 40.82 2 0 1000.00 -999 ? >ALA.A 224 44.40 35.00 44.70 43.86 33.69 45.24 44.13 34.34 44.97 2 0 1000.00 -999 ? >LEU.A 225 49.03 34.47 43.82 49.06 32.27 44.37 49.05 33.37 44.10 3 0 1000.00 -999 ? >LYS.A 226 50.26 38.55 43.93 55.78 36.33 42.82 53.02 37.44 43.37 2 0 1000.00 -999 ? >SER.A 227 49.66 39.71 40.34 47.98 38.63 38.99 48.82 39.17 39.66 2 0 1000.00 -999 ? >GLY.A 228 46.64 41.92 40.97 46.71 41.35 40.41 46.68 41.64 40.69 1 0 1000.00 -999 ? >GLU.A 229 46.93 40.03 36.08 47.78 38.44 34.93 47.35 39.23 35.51 2 0 1000.00 -999 ? >VAL^A 230 41.41 40.43 37.20 39.97 41.35 38.54 40.69 40.89 37.87 3 0 1000.00 -999 ? >SER^A 231 40.00 38.95 33.99 41.92 37.56 33.35 40.96 38.25 33.67 2 0 1000.00 -999 ? >VAL^A 232 36.48 39.84 32.97 35.46 41.66 33.64 35.97 40.75 33.30 3 0 1000.00 -999 ? >LEU^A 233 34.99 35.83 30.80 36.62 34.68 31.62 35.80 35.26 31.21 3 0 1000.00 -999 ? >ASP^A 234 31.67 39.93 28.23 31.67 41.23 29.92 31.67 40.58 29.07 2 0 1000.00 -999 ? >TYR^A 235 30.28 33.93 28.05 32.38 32.56 29.27 31.33 33.24 28.66 3 0 1000.00 -999 ? >SER^A 236 27.66 37.03 23.70 29.27 38.29 22.45 28.47 37.66 23.07 2 0 1000.00 -999 ? >ASP^A 237 26.40 36.12 19.55 25.28 35.61 17.79 25.84 35.87 18.67 2 0 1000.00 -999 ? >MET?A 238 25.15 32.26 22.29 24.72 30.24 26.05 24.94 31.25 24.17 2 0 1000.00 -999 ? >LYS^A 239 23.30 30.05 19.82 24.92 33.70 15.59 24.11 31.88 17.70 2 0 1000.00 -999 ? >LEU^A 240 21.35 25.64 19.62 20.75 25.18 21.73 21.05 25.41 20.67 3 0 1000.00 -999 ? >ARG.A 241 27.55 26.52 14.57 29.63 27.07 12.40 28.59 26.80 13.48 2 0 1000.00 -999 ? >ASP.A 242 24.27 20.86 13.78 24.45 18.78 13.54 24.36 19.82 13.66 2 0 1000.00 -999 ? >LEU.A 243 29.34 20.89 16.74 29.60 22.99 17.28 29.47 21.94 17.01 3 0 1000.00 -999 ? >PRO~A 244 28.73 18.45 11.58 29.31 17.94 13.68 29.02 18.19 12.63 3 0 1000.00 -999 ? >ASP~A 245 31.98 13.46 15.10 33.64 12.61 16.02 32.81 13.03 15.56 2 0 1000.00 -999 ? >LYS~A 246 33.96 15.43 11.60 33.20 10.79 9.09 33.58 13.11 10.35 2 0 1000.00 -999 ? >ILE~A 247 33.91 20.39 12.45 32.74 21.14 12.79 33.32 20.76 12.62 3 0 1000.00 -999 ? >PHE~A 248 35.18 18.53 16.97 33.10 20.19 17.80 34.14 19.36 17.38 3 0 1000.00 -999 ? >THR.A 249 40.11 17.49 13.23 39.13 16.73 11.49 39.62 17.11 12.36 2 0 1000.00 -999 ? >LYS~A 250 43.42 19.09 12.38 48.18 15.95 15.14 45.80 17.52 13.76 2 0 1000.00 -999 ? >ASP~A 251 41.91 18.14 7.86 43.48 16.84 7.41 42.70 17.49 7.63 2 0 1000.00 -999 ? >TYR~A 252 37.07 21.93 10.62 34.94 23.72 10.90 36.01 22.83 10.76 3 0 1000.00 -999 ? >LEU~A 253 41.93 23.81 12.71 40.52 24.22 14.28 41.23 24.01 13.50 3 0 1000.00 -999 ? >LYS~A 254 44.19 24.29 8.39 49.13 22.63 6.55 46.66 23.46 7.47 2 0 1000.00 -999 ? >ARG.A 255 40.27 28.02 9.40 37.43 27.20 10.07 38.85 27.61 9.74 2 0 1000.00 -999 ? >LEU.A 256 46.49 30.88 5.65 48.39 31.92 5.81 47.44 31.40 5.73 3 0 1000.00 -999 ? >GLU.A 257 41.29 33.51 7.56 39.75 33.97 8.93 40.52 33.74 8.24 2 0 1000.00 -999 ? >ALA.B 34 33.74 69.58 -3.66 33.54 68.68 -4.84 33.64 69.13 -4.25 2 0 1000.00 -999 ? >VAL.B 35 36.76 67.68 -2.26 36.56 65.51 -2.54 36.66 66.60 -2.40 3 0 1000.00 -999 ? >THR~B 36 40.15 69.41 -2.09 39.81 71.14 -0.83 39.98 70.28 -1.46 2 0 1000.00 -999 ? >ALA~B 37 43.57 67.83 -1.52 44.88 68.18 -2.18 44.22 68.00 -1.85 2 0 1000.00 -999 ? >GLN~B 38 44.72 71.67 1.57 45.72 73.07 2.80 45.22 72.37 2.19 2 0 1000.00 -999 ? >SER~B 39 40.15 68.08 2.79 38.45 68.02 1.05 39.30 68.05 1.92 2 0 1000.00 -999 ? >ILE~B 40 41.62 64.22 0.19 41.61 63.62 -1.07 41.62 63.92 -0.44 3 0 1000.00 -999 ? >LEU~B 41 45.38 65.53 3.60 47.36 65.01 4.27 46.37 65.27 3.94 3 0 1000.00 -999 ? >GLU~B 42 40.73 67.63 8.11 39.50 69.35 7.92 40.12 68.49 8.02 2 0 1000.00 -999 ? >LYS~B 43 39.54 63.33 6.41 34.73 65.26 4.85 37.13 64.29 5.63 2 0 1000.00 -999 ? >ALA~B 44 42.21 60.63 6.27 43.27 60.46 5.19 42.74 60.54 5.73 2 0 1000.00 -999 ? >ASP~B 45 44.39 63.56 9.55 46.33 64.05 8.88 45.36 63.80 9.22 2 0 1000.00 -999 ? >GLU~B 46 39.43 64.43 10.71 37.94 65.58 9.74 38.69 65.01 10.22 2 0 1000.00 -999 ? >ILE~B 47 39.76 57.91 9.21 39.03 57.29 8.23 39.40 57.60 8.72 3 0 1000.00 -999 ? >ARG~B 48 46.60 56.32 11.61 48.79 55.10 13.42 47.70 55.71 12.51 2 0 1000.00 -999 ? >PHE~B 49 45.77 59.07 15.57 47.97 57.41 15.90 46.87 58.24 15.73 3 0 1000.00 -999 ? >PRO.B 50 40.86 59.75 18.60 41.33 60.99 16.77 41.10 60.37 17.69 3 0 1000.00 -999 ? >GLN.B 51 41.27 65.19 13.93 43.31 64.94 13.47 42.29 65.07 13.70 2 0 1000.00 -999 ? >ASP.B 52 40.63 64.98 20.74 38.85 66.15 20.41 39.74 65.57 20.57 2 0 1000.00 -999 ? >SER.B 53 44.25 64.86 23.05 44.90 67.01 23.95 44.58 65.93 23.50 2 0 1000.00 -999 ? >PHE^B 54 44.68 60.18 21.33 46.27 59.80 19.06 45.48 59.99 20.20 3 0 1000.00 -999 ? >GLN^B 55 45.68 57.32 27.17 45.89 56.90 29.26 45.78 57.11 28.22 2 0 1000.00 -999 ? >VAL^B 56 47.41 55.07 23.27 47.50 54.88 21.01 47.45 54.97 22.14 3 0 1000.00 -999 ? >ASN^B 57 49.17 50.75 24.41 48.84 51.11 26.47 49.00 50.93 25.44 2 0 1000.00 -999 ? >VAL^B 58 51.77 50.96 20.67 52.11 52.48 19.17 51.94 51.72 19.92 3 0 1000.00 -999 ? >ALA^B 59 53.48 47.59 20.21 52.77 46.27 20.46 53.13 46.93 20.33 2 0 1000.00 -999 ? >ILE^B 60 56.95 48.68 17.20 57.20 49.96 16.51 57.08 49.32 16.86 3 0 1000.00 -999 ? >ARG^B 61 54.97 41.30 17.43 52.91 41.81 19.65 53.94 41.55 18.54 2 0 1000.00 -999 ? >THR^B 62 60.28 44.20 13.68 61.33 46.03 13.25 60.81 45.11 13.47 2 0 1000.00 -999 ? >ALA^B 63 61.64 41.14 11.94 60.66 39.94 12.05 61.15 40.54 11.99 2 0 1000.00 -999 ? >ALA.B 64 63.99 40.48 8.97 65.18 41.38 8.71 64.58 40.93 8.84 2 0 1000.00 -999 ? >PRO.B 65 63.80 37.78 5.55 64.62 37.72 7.64 64.21 37.75 6.60 3 0 1000.00 -999 ? >ASP.B 66 68.48 34.78 8.59 67.76 33.41 7.15 68.12 34.10 7.87 2 0 1000.00 -999 ? >HIS.B 67 69.11 39.45 10.90 70.69 39.50 9.52 69.90 39.48 10.21 3 0 1000.00 -999 ? >ALA.B 68 66.19 38.28 15.69 67.03 38.46 16.94 66.61 38.37 16.32 2 0 1000.00 -999 ? >GLU.B 69 60.36 40.10 16.56 58.61 38.91 16.68 59.49 39.51 16.62 2 0 1000.00 -999 ? >ASP^B 70 63.47 44.68 17.61 65.43 44.46 16.87 64.45 44.57 17.24 2 0 1000.00 -999 ? >LEU^B 71 58.81 42.76 20.80 56.74 42.92 21.56 57.78 42.84 21.18 3 0 1000.00 -999 ? >TYR^B 72 61.29 48.37 20.98 64.08 48.16 21.08 62.69 48.26 21.03 3 0 1000.00 -999 ? >ARG^B 73 54.32 45.74 25.11 52.78 43.52 23.70 53.55 44.63 24.41 2 0 1000.00 -999 ? >TYR^B 74 56.86 52.90 22.24 59.20 52.24 20.91 58.03 52.57 21.58 3 0 1000.00 -999 ? >GLN^B 75 51.13 55.59 27.52 50.65 56.08 29.54 50.89 55.83 28.53 2 0 1000.00 -999 ? >VAL^B 76 52.08 57.72 23.75 51.47 57.93 21.65 51.78 57.83 22.70 3 0 1000.00 -999 ? >LEU^B 77 50.85 61.56 26.33 50.62 60.59 28.22 50.73 61.08 27.28 3 0 1000.00 -999 ? >SER^B 78 49.36 62.71 21.85 48.61 62.40 19.53 48.98 62.56 20.69 2 0 1000.00 -999 ? >LYS^B 79 48.33 66.33 21.55 47.47 71.20 25.48 47.90 68.77 23.51 2 0 1000.00 -999 ? >GLY.B 80 48.16 66.57 17.74 48.83 66.40 18.23 48.49 66.49 17.98 1 0 1000.00 -999 ? >ASN.B 81 51.26 68.33 14.70 50.83 66.73 13.39 51.04 67.53 14.04 2 0 1000.00 -999 ? >GLU.B 82 51.19 72.15 20.66 49.49 72.68 21.75 50.34 72.41 21.21 2 0 1000.00 -999 ? >ASN^B 83 52.67 68.78 23.11 53.54 70.71 23.50 53.11 69.74 23.31 2 0 1000.00 -999 ? >SER^B 84 53.52 64.59 22.62 54.66 63.68 20.74 54.09 64.13 21.68 2 0 1000.00 -999 ? >ILE^B 85 55.04 62.32 26.49 55.37 62.68 27.83 55.21 62.50 27.16 3 0 1000.00 -999 ? >VAL^B 86 56.50 58.78 23.81 56.71 58.26 21.70 56.61 58.52 22.75 3 0 1000.00 -999 ? >MET?B 87 57.51 56.47 26.67 55.41 58.44 30.05 56.46 57.45 28.36 2 0 1000.00 -999 ? >ILE^B 88 60.61 52.67 26.12 61.71 52.08 25.29 61.16 52.38 25.71 3 0 1000.00 -999 ? >THR^B 89 57.54 50.31 28.51 55.43 50.61 28.07 56.49 50.46 28.29 2 0 1000.00 -999 ? >GLU.B 90 58.26 44.73 26.95 56.77 43.43 26.20 57.51 44.08 26.58 2 0 1000.00 -999 ? >PRO.B 91 63.49 46.11 25.15 61.51 46.10 26.20 62.50 46.10 25.67 3 0 1000.00 -999 ? >ALA.B 92 63.17 45.74 30.12 63.41 44.55 31.01 63.29 45.15 30.57 2 0 1000.00 -999 ? >SER.B 93 66.64 46.96 29.00 66.87 46.08 26.74 66.75 46.52 27.87 2 0 1000.00 -999 ? >ARG.B 95 59.97 48.46 32.46 60.06 45.39 32.03 60.02 46.92 32.24 2 0 1000.00 -999 ? >GLY.B 96 61.43 54.11 31.24 61.63 54.09 30.47 61.53 54.10 30.85 1 0 1000.00 -999 ? >GLN.B 97 65.11 54.92 27.94 66.27 53.83 26.52 65.69 54.37 27.23 2 0 1000.00 -999 ? >ALA^B 98 60.73 59.15 27.34 59.83 59.70 28.43 60.28 59.42 27.89 2 0 1000.00 -999 ? >ILE^B 99 60.82 60.89 22.86 61.37 60.42 21.64 61.10 60.66 22.25 3 0 1000.00 -999 ? >LEU^B 100 59.47 65.79 25.70 58.41 67.47 26.65 58.94 66.63 26.17 3 0 1000.00 -999 ? >MET?B 101 57.98 66.72 21.26 56.01 65.94 17.51 56.99 66.33 19.38 2 0 1000.00 -999 ? >LYS^B 102 57.44 70.54 21.18 59.56 72.56 26.91 58.50 71.55 24.04 2 0 1000.00 -999 ? >GLY.B 103 56.66 71.56 17.61 57.00 70.86 17.91 56.83 71.21 17.76 1 0 1000.00 -999 ? >ARG.B 104 57.78 70.49 12.34 55.24 72.22 11.77 56.51 71.36 12.06 2 0 1000.00 -999 ? >ASP^B 105 62.49 70.50 18.74 63.16 72.10 17.57 62.83 71.30 18.15 2 0 1000.00 -999 ? >LEU^B 106 62.08 64.87 19.39 60.54 63.75 18.41 61.31 64.31 18.90 3 0 1000.00 -999 ? >TRP^B 107 65.21 69.18 23.51 61.97 71.13 22.57 63.59 70.15 23.04 3 0 1000.00 -999 ? >VAL^B 108 65.21 63.46 25.57 66.19 61.60 24.90 65.70 62.53 25.23 3 0 1000.00 -999 ? >PHE.B 109 66.29 65.15 30.39 65.75 67.89 30.63 66.02 66.52 30.51 3 0 1000.00 -999 ? >MET?B 110 69.74 60.81 29.43 70.14 59.35 25.57 69.94 60.08 27.50 2 0 1000.00 -999 ? >PRO.B 111 71.01 57.87 32.32 71.59 59.94 31.73 71.30 58.90 32.02 3 0 1000.00 -999 ? >SER.B 112 75.37 61.95 32.30 76.75 59.99 32.76 76.06 60.97 32.53 2 0 1000.00 -999 ? >VAL.B 113 73.82 64.73 30.20 73.62 64.47 28.03 73.72 64.60 29.11 3 0 1000.00 -999 ? >SER.B 114 72.54 67.75 32.08 74.21 68.38 33.60 73.38 68.07 32.84 2 0 1000.00 -999 ? >GLN.B 115 71.14 71.91 29.53 71.92 73.64 28.55 71.53 72.77 29.04 2 0 1000.00 -999 ? >PRO.B 116 66.57 69.61 27.41 68.26 68.19 27.60 67.42 68.90 27.50 3 0 1000.00 -999 ? >ILE^B 117 70.08 65.22 23.83 70.51 64.11 23.65 70.30 64.66 23.74 3 0 1000.00 -999 ? >ARG^B 118 66.89 69.12 17.41 65.49 68.96 14.69 66.19 69.04 16.05 2 0 1000.00 -999 ? >LEU^B 119 65.44 63.53 18.94 66.27 62.24 20.47 65.86 62.88 19.70 3 0 1000.00 -999 ? >SER.B 120 64.74 64.96 14.83 65.71 63.97 12.78 65.23 64.46 13.81 2 0 1000.00 -999 ? >LEU.B 121 60.42 64.55 12.84 58.92 65.67 13.89 59.67 65.11 13.36 3 0 1000.00 -999 ? >SER.B 122 63.23 61.66 10.86 63.22 63.30 9.09 63.22 62.48 9.98 2 0 1000.00 -999 ? >GLN.B 123 67.41 61.11 14.28 68.15 62.09 16.00 67.78 61.60 15.14 2 0 1000.00 -999 ? >ARG^B 124 67.49 54.54 11.30 66.07 53.19 8.93 66.78 53.86 10.11 2 0 1000.00 -999 ? >LEU^B 125 61.22 55.20 16.79 60.01 55.12 18.61 60.61 55.16 17.70 3 0 1000.00 -999 ? >THR^B 126 62.98 51.24 16.07 61.68 49.80 17.10 62.33 50.52 16.59 2 0 1000.00 -999 ? >GLY.B 127 62.99 49.08 12.95 63.04 49.91 13.03 63.01 49.50 12.99 1 0 1000.00 -999 ? >GLN.B 128 61.49 48.99 8.37 63.07 49.92 7.33 62.28 49.46 7.85 2 0 1000.00 -999 ? >VAL^B 129 59.58 53.37 12.34 57.99 52.74 13.67 58.78 53.06 13.01 3 0 1000.00 -999 ? >ALA^B 130 60.73 56.98 12.51 60.53 57.96 11.37 60.63 57.47 11.94 2 0 1000.00 -999 ? >ASN~B 131 61.26 60.19 16.14 62.96 59.42 17.17 62.11 59.81 16.65 2 0 1000.00 -999 ? >GLY~B 132 57.72 61.27 13.76 57.72 60.42 13.81 57.72 60.84 13.79 1 0 1000.00 -999 ? >ASP~B 133 56.17 56.81 12.27 57.09 56.93 10.39 56.63 56.87 11.33 2 0 1000.00 -999 ? >ILE~B 134 55.70 56.60 17.35 56.22 56.03 18.63 55.96 56.32 17.99 3 0 1000.00 -999 ? >ALA~B 135 55.29 61.21 18.00 56.65 61.88 18.17 55.97 61.55 18.09 2 0 1000.00 -999 ? >ARG.B 136 55.31 65.89 13.61 55.07 68.89 14.16 55.19 67.39 13.89 2 0 1000.00 -999 ? >ALA.B 137 49.61 62.42 15.02 48.52 62.94 15.90 49.06 62.68 15.46 2 0 1000.00 -999 ? >ASN.B 138 47.78 65.20 12.00 46.34 64.69 13.47 47.06 64.95 12.73 2 0 1000.00 -999 ? >PHE.B 139 50.10 62.47 6.90 50.99 59.81 6.76 50.55 61.14 6.83 3 0 1000.00 -999 ? >THR.B 140 48.04 67.91 7.96 45.93 68.47 7.82 46.99 68.19 7.89 2 0 1000.00 -999 ? >GLY.B 141 50.24 70.88 8.82 50.54 70.27 8.38 50.39 70.57 8.60 1 0 1000.00 -999 ? >ASP.B 142 53.91 67.81 8.69 54.24 68.08 10.74 54.07 67.94 9.72 2 0 1000.00 -999 ? >TYR^B 143 53.61 66.11 4.62 55.37 64.56 6.10 54.49 65.33 5.36 3 0 1000.00 -999 ? >HIS^B 144 53.05 72.45 0.59 53.94 74.27 1.15 53.50 73.36 0.87 3 0 1000.00 -999 ? >PRO^B 145 47.34 68.80 1.08 49.34 68.43 0.05 48.34 68.61 0.56 3 0 1000.00 -999 ? >GLN^B 146 50.61 67.65 -5.04 52.18 68.75 -5.99 51.39 68.20 -5.51 2 0 1000.00 -999 ? >LEU^B 147 44.95 65.10 -6.44 43.66 63.40 -6.78 44.31 64.25 -6.61 3 0 1000.00 -999 ? >LEU^B 148 50.09 62.37 -7.59 51.93 61.99 -8.66 51.01 62.18 -8.12 3 0 1000.00 -999 ? >ARG^B 149 48.84 57.42 -10.15 51.56 56.89 -8.73 50.20 57.16 -9.44 2 0 1000.00 -999 ? >ASN^B 150 42.09 58.99 -9.78 41.55 60.97 -9.26 41.82 59.98 -9.52 2 0 1000.00 -999 ? >GLU^B 151 45.88 53.32 -8.64 47.75 53.06 -7.59 46.82 53.19 -8.11 2 0 1000.00 -999 ? >SER^B 152 41.45 52.09 -9.26 39.88 53.18 -10.74 40.67 52.63 -10.00 2 0 1000.00 -999 ? >ILE^B 153 43.26 48.96 -6.30 44.51 48.96 -5.66 43.89 48.96 -5.98 3 0 1000.00 -999 ? >ASP.B 154 39.58 45.38 -6.61 41.14 43.97 -6.31 40.36 44.67 -6.46 2 0 1000.00 -999 ? >ASP.B 155 35.08 47.22 -7.50 34.80 46.52 -5.54 34.94 46.87 -6.52 2 0 1000.00 -999 ? >GLU^B 156 36.54 49.93 -3.37 36.72 49.82 -1.25 36.63 49.88 -2.31 2 0 1000.00 -999 ? >ASP^B 157 38.20 55.28 -6.95 37.16 54.66 -8.67 37.68 54.97 -7.81 2 0 1000.00 -999 ? >TYR^B 158 42.62 53.78 -3.47 41.64 51.41 -2.43 42.13 52.60 -2.95 3 0 1000.00 -999 ? >TYR^B 159 41.28 61.02 -3.65 38.68 61.95 -4.02 39.98 61.48 -3.84 3 0 1000.00 -999 ? >VAL^B 160 46.93 59.26 -4.57 48.16 57.75 -5.54 47.55 58.51 -5.06 3 0 1000.00 -999 ? >LEU^B 161 47.59 62.82 -1.38 45.63 63.70 -1.03 46.61 63.26 -1.20 3 0 1000.00 -999 ? >GLU^B 162 53.66 64.50 -4.32 54.67 64.73 -6.17 54.17 64.61 -5.24 2 0 1000.00 -999 ? >LEU^B 163 52.42 64.31 1.49 50.41 63.72 2.13 51.42 64.02 1.81 3 0 1000.00 -999 ? >THR^B 164 55.58 67.54 0.07 56.20 68.66 -1.68 55.89 68.10 -0.80 2 0 1000.00 -999 ? >GLY^B 165 57.18 68.29 3.42 57.11 68.78 2.73 57.15 68.53 3.07 1 0 1000.00 -999 ? >ILE.B 166 55.91 72.53 5.58 54.88 73.28 4.90 55.40 72.91 5.24 3 0 1000.00 -999 ? >ASP.B 167 60.61 73.39 6.36 60.15 72.91 8.37 60.38 73.15 7.36 2 0 1000.00 -999 ? >ARG.B 168 66.42 70.90 3.48 67.32 73.82 3.86 66.87 72.36 3.67 2 0 1000.00 -999 ? >SER.B 169 62.46 69.48 9.54 60.98 71.17 10.51 61.72 70.32 10.03 2 0 1000.00 -999 ? >VAL.B 170 59.37 67.35 8.96 57.99 68.36 7.62 58.68 67.85 8.29 3 0 1000.00 -999 ? >THR.B 171 59.61 63.52 9.06 58.53 62.13 10.30 59.07 62.83 9.68 2 0 1000.00 -999 ? >TYR.B 172 58.63 60.82 5.60 58.45 58.71 7.42 58.54 59.77 6.51 3 0 1000.00 -999 ? >GLN.B 173 61.76 65.98 0.05 61.07 68.01 0.29 61.41 66.99 0.17 2 0 1000.00 -999 ? >LYS^B 174 57.86 63.38 0.10 57.35 67.15 -3.80 57.61 65.27 -1.85 2 0 1000.00 -999 ? >VAL^B 175 55.14 60.84 0.74 54.57 60.44 2.85 54.85 60.64 1.79 3 0 1000.00 -999 ? >LEU^B 176 52.85 58.52 -2.86 53.38 59.35 -4.74 53.11 58.94 -3.80 3 0 1000.00 -999 ? >LEU^B 177 49.03 59.47 1.48 47.95 59.00 3.32 48.49 59.23 2.40 3 0 1000.00 -999 ? >TRP^B 178 46.72 54.13 -3.79 50.58 54.83 -3.96 48.65 54.48 -3.87 3 0 1000.00 -999 ? >VAL^B 179 43.13 57.54 0.40 43.00 59.41 1.49 43.07 58.48 0.94 3 0 1000.00 -999 ? >ASN^B 180 39.23 54.70 0.55 37.69 53.54 -0.28 38.46 54.12 0.13 2 0 1000.00 -999 ? >GLN.B 181 38.76 58.31 -4.70 38.51 58.75 -6.76 38.63 58.53 -5.73 2 0 1000.00 -999 ? >SER.B 182 34.41 56.70 -0.93 34.54 54.32 -0.44 34.47 55.51 -0.69 2 0 1000.00 -999 ? >ASN.B 183 34.82 55.48 3.52 36.27 53.95 3.28 35.55 54.72 3.40 2 0 1000.00 -999 ? >PHE.B 184 37.43 60.76 2.63 35.96 62.24 0.76 36.69 61.50 1.70 3 0 1000.00 -999 ? >ARG.B 185 38.47 52.54 5.88 36.59 50.45 6.98 37.53 51.50 6.43 2 0 1000.00 -999 ? >PRO^B 186 44.10 55.77 6.89 43.38 55.73 4.74 43.74 55.75 5.82 3 0 1000.00 -999 ? >TYR^B 187 44.76 51.35 0.21 45.12 49.08 -1.35 44.94 50.22 -0.57 3 0 1000.00 -999 ? >LYS^B 188 48.90 52.64 1.93 49.69 50.11 -3.78 49.30 51.38 -0.92 2 0 1000.00 -999 ? >ALA^B 189 51.82 55.00 1.60 51.96 55.87 2.86 51.89 55.43 2.23 2 0 1000.00 -999 ? >GLU^B 190 54.67 53.98 -2.14 54.61 53.92 -4.25 54.64 53.95 -3.19 2 0 1000.00 -999 ? >PHE^B 191 57.03 56.75 3.93 54.68 56.41 5.40 55.85 56.58 4.66 3 0 1000.00 -999 ? >TYR^B 192 59.53 58.69 -2.48 57.94 57.02 -4.05 58.74 57.85 -3.27 3 0 1000.00 -999 ? >SER.B 193 64.25 60.27 0.62 65.89 59.64 -1.04 65.07 59.96 -0.21 2 0 1000.00 -999 ? >VAL.B 194 65.58 63.78 -0.06 66.99 64.30 1.53 66.28 64.04 0.74 3 0 1000.00 -999 ? >SER.B 195 67.51 62.11 -2.94 68.32 60.11 -2.00 67.91 61.11 -2.47 2 0 1000.00 -999 ? >GLY.B 196 64.10 60.88 -4.31 64.56 60.33 -3.94 64.33 60.61 -4.13 1 0 1000.00 -999 ? >ARG.B 197 68.22 57.16 -4.20 70.20 56.42 -6.41 69.21 56.79 -5.30 2 0 1000.00 -999 ? >LEU^B 198 61.17 53.92 -2.99 59.25 53.04 -2.33 60.21 53.48 -2.66 3 0 1000.00 -999 ? >LEU^B 199 62.92 55.51 2.38 64.61 56.83 2.57 63.77 56.17 2.48 3 0 1000.00 -999 ? >LYS^B 200 59.90 52.36 2.74 59.47 55.15 8.42 59.68 53.75 5.58 2 0 1000.00 -999 ? >THR^B 201 56.21 51.60 2.36 56.32 50.08 0.86 56.26 50.84 1.61 2 0 1000.00 -999 ? >SER^B 202 53.29 51.35 4.76 52.40 53.51 5.22 52.84 52.43 4.99 2 0 1000.00 -999 ? >ARG^B 203 50.71 46.77 2.41 53.09 44.99 3.23 51.90 45.88 2.82 2 0 1000.00 -999 ? >TYR^B 204 47.00 52.95 6.94 48.53 55.25 7.05 47.76 54.10 6.99 3 0 1000.00 -999 ? >GLU^B 205 46.89 46.02 7.23 45.55 45.79 5.60 46.22 45.90 6.42 2 0 1000.00 -999 ? >ASN^B 206 43.66 45.56 12.19 44.62 43.69 11.65 44.14 44.62 11.92 2 0 1000.00 -999 ? >PHE^B 207 40.32 50.16 9.01 42.01 51.79 7.49 41.16 50.98 8.25 3 0 1000.00 -999 ? >ASP^B 208 38.68 48.26 15.41 37.36 47.27 16.84 38.02 47.76 16.13 2 0 1000.00 -999 ? >ASN^B 209 33.72 50.76 15.76 32.47 52.41 16.15 33.10 51.59 15.96 2 0 1000.00 -999 ? >ILE^B 210 38.57 53.17 17.98 39.81 52.60 18.35 39.19 52.88 18.16 3 0 1000.00 -999 ? >LEU.B 211 37.32 57.54 19.59 38.14 57.44 21.65 37.73 57.49 20.62 3 0 1000.00 -999 ? >GLY.B 212 33.54 57.59 16.33 34.13 57.14 16.16 33.83 57.37 16.24 1 0 1000.00 -999 ? >GLU^B 213 36.28 58.50 12.68 34.78 58.96 11.22 35.53 58.73 11.95 2 0 1000.00 -999 ? >MET?B 214 36.62 52.93 11.92 34.67 50.15 12.04 35.65 51.54 11.98 2 0 1000.00 -999 ? >ARG^B 215 40.24 55.98 15.65 39.10 58.76 15.18 39.67 57.37 15.42 2 0 1000.00 -999 ? >PRO^B 216 44.15 53.37 10.60 42.79 51.89 11.64 43.47 52.63 11.12 3 0 1000.00 -999 ? >THR^B 217 44.86 49.63 14.52 43.23 48.53 15.40 44.04 49.08 14.96 2 0 1000.00 -999 ? >ARG^B 218 48.75 44.42 11.57 49.56 41.94 13.16 49.16 43.18 12.36 2 0 1000.00 -999 ? >ILE^B 219 50.70 51.13 10.59 50.14 51.83 10.61 50.42 51.48 10.60 3 0 1000.00 -999 ? >ILE^B 220 52.51 46.35 7.72 52.28 45.02 7.48 52.39 45.68 7.60 3 0 1000.00 -999 ? >MET?B 221 56.05 49.43 7.54 56.36 53.19 9.65 56.20 51.31 8.59 2 0 1000.00 -999 ? >GLU^B 222 58.46 45.84 3.41 57.18 44.87 2.01 57.82 45.35 2.71 2 0 1000.00 -999 ? >ASP^B 223 63.24 48.00 4.70 65.01 49.04 4.28 64.13 48.52 4.49 2 0 1000.00 -999 ? >ALA.B 224 62.36 49.28 0.36 61.73 50.50 -0.34 62.04 49.89 0.01 2 0 1000.00 -999 ? >LEU.B 225 66.93 50.17 1.49 66.96 52.28 0.84 66.95 51.22 1.17 3 0 1000.00 -999 ? >LYS.B 226 68.23 46.12 1.85 71.30 46.20 -2.40 69.76 46.16 -0.28 2 0 1000.00 -999 ? >SER.B 227 67.52 45.26 5.45 65.78 46.45 6.60 66.65 45.85 6.03 2 0 1000.00 -999 ? >GLY.B 228 64.56 42.99 4.85 64.60 43.63 5.36 64.58 43.31 5.10 1 0 1000.00 -999 ? >GLU.B 229 64.63 45.31 9.53 65.31 46.93 10.69 64.97 46.12 10.11 2 0 1000.00 -999 ? >VAL^B 230 59.14 44.59 8.38 57.74 43.31 7.24 58.44 43.95 7.81 3 0 1000.00 -999 ? >SER^B 231 57.78 46.53 11.36 59.72 47.94 11.81 58.75 47.23 11.59 2 0 1000.00 -999 ? >VAL^B 232 54.28 45.80 12.54 53.22 43.94 12.11 53.75 44.87 12.33 3 0 1000.00 -999 ? >LEU^B 233 52.81 49.96 14.29 54.36 51.05 13.26 53.59 50.51 13.78 3 0 1000.00 -999 ? >ASP^B 234 49.48 46.19 17.35 49.41 44.75 15.76 49.44 45.47 16.55 2 0 1000.00 -999 ? >TYR^B 235 48.22 52.31 17.04 50.28 53.63 15.76 49.25 52.97 16.40 3 0 1000.00 -999 ? >SER^B 236 45.53 49.52 21.54 47.09 48.29 22.87 46.31 48.91 22.21 2 0 1000.00 -999 ? >ASP^B 237 44.40 50.68 25.68 43.33 51.10 27.47 43.87 50.89 26.57 2 0 1000.00 -999 ? >MET?B 238 43.20 54.41 22.72 42.63 56.02 18.72 42.91 55.22 20.72 2 0 1000.00 -999 ? >LYS^B 239 41.54 56.83 25.19 40.72 53.02 30.18 41.13 54.92 27.69 2 0 1000.00 -999 ? >LEU^B 240 39.48 61.26 24.82 38.88 61.64 22.73 39.18 61.45 23.78 3 0 1000.00 -999 ? >ARG.B 241 45.94 60.99 28.80 47.58 61.30 31.31 46.76 61.14 30.05 2 0 1000.00 -999 ? >ASP.B 242 43.06 66.79 30.11 41.07 67.43 29.99 42.07 67.11 30.05 2 0 1000.00 -999 ? >LEU.B 243 47.63 66.24 26.91 47.94 64.10 26.64 47.79 65.17 26.78 3 0 1000.00 -999 ? >PRO~B 244 47.47 69.15 31.88 47.48 69.56 29.67 47.47 69.36 30.78 3 0 1000.00 -999 ? >ASP~B 245 50.49 73.67 27.84 50.54 73.70 25.71 50.51 73.69 26.78 2 0 1000.00 -999 ? >LYS~B 246 51.94 71.97 31.91 52.09 76.40 34.79 52.01 74.18 33.35 2 0 1000.00 -999 ? >ILE~B 247 51.32 67.02 31.88 50.10 66.35 31.64 50.71 66.69 31.76 3 0 1000.00 -999 ? >PHE~B 248 53.30 68.08 26.94 51.15 66.67 25.86 52.22 67.38 26.40 3 0 1000.00 -999 ? >THR~B 249 57.96 68.68 31.12 56.93 69.75 32.68 57.44 69.22 31.90 2 0 1000.00 -999 ? >LYS~B 250 60.94 66.70 32.35 66.26 67.89 35.01 63.60 67.30 33.68 2 0 1000.00 -999 ? >ASP~B 251 59.56 67.52 36.92 61.40 68.58 37.07 60.48 68.05 36.99 2 0 1000.00 -999 ? >TYR~B 252 54.26 64.42 33.49 51.92 62.91 33.31 53.09 63.67 33.40 3 0 1000.00 -999 ? >LEU~B 253 59.81 62.65 31.42 59.23 63.12 29.35 59.52 62.88 30.38 3 0 1000.00 -999 ?