REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-MAY-09 3HN5 COMPND PUTATIVE EXPORTED PROTEIN BF0290; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; SOURCE 3 ORGANISM_TAXID: 272559; SOURCE 4 GENE: BF0290, YP_210027.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 32 8 HET MSE A 38 8 HET MSE A 76 13 HET MSE A 88 8 HET MSE A 130 8 HET MSE A 157 8 HET MSE A 202 8 HET MSE B 32 8 HET MSE B 38 8 HET MSE B 76 8 HET MSE B 88 8 HET MSE B 130 8 HET MSE B 157 8 HET MSE B 202 18 >GLU.A 30 22.26 72.95 32.84 20.65 74.29 33.26 21.45 73.62 33.05 2 0 1000.00 -999 ? >SER^A 31 25.61 69.68 31.27 26.47 68.68 33.27 26.04 69.18 32.27 2 0 1000.00 -999 ? >MET?A 32 24.46 68.44 27.88 25.96 71.07 24.97 25.21 69.75 26.43 2 0 1000.00 -999 ? >LEU^A 33 21.53 64.65 28.26 20.89 62.60 28.47 21.21 63.62 28.37 3 0 1000.00 -999 ? >THR^A 34 22.91 64.17 23.75 24.82 65.10 23.19 23.86 64.63 23.47 2 0 1000.00 -999 ? >GLY^A 35 22.13 61.17 21.66 21.77 61.82 21.32 21.95 61.49 21.49 1 0 1000.00 -999 ? >ARG^A 36 23.43 58.84 16.70 26.13 58.84 15.35 24.78 58.84 16.03 2 0 1000.00 -999 ? >VAL^A 37 17.04 57.99 18.07 14.95 58.54 18.32 15.99 58.26 18.20 3 0 1000.00 -999 ? >MET?A 38 18.20 55.00 16.13 21.45 53.16 17.70 19.83 54.08 16.91 2 0 1000.00 -999 ? >TYR^A 39 15.88 50.22 13.13 15.51 47.71 12.01 15.69 48.96 12.57 3 0 1000.00 -999 ? >ASN.A 40 19.32 48.12 13.00 20.20 46.21 12.61 19.76 47.17 12.81 2 0 1000.00 -999 ? >GLY.A 41 22.85 51.19 14.40 22.19 51.53 14.13 22.52 51.36 14.26 1 0 1000.00 -999 ? >GLU^A 42 21.05 54.58 9.83 20.54 53.76 7.94 20.80 54.17 8.88 2 0 1000.00 -999 ? >ALA^A 43 20.00 57.39 13.32 20.80 58.69 13.41 20.40 58.04 13.37 2 0 1000.00 -999 ? >LEU.A 44 15.22 57.68 12.59 14.50 55.68 12.90 14.86 56.68 12.75 3 0 1000.00 -999 ? >GLN.A 45 17.42 60.28 7.49 18.44 62.13 7.69 17.93 61.20 7.59 2 0 1000.00 -999 ? >LEU.A 46 12.87 62.68 12.27 12.84 60.94 13.55 12.85 61.81 12.91 3 0 1000.00 -999 ? >ARG.A 47 7.56 67.81 10.64 5.73 70.26 10.60 6.65 69.04 10.62 2 0 1000.00 -999 ? >GLY.A 48 12.75 68.22 12.47 11.90 68.16 12.43 12.32 68.19 12.45 1 0 1000.00 -999 ? >ASN.A 49 10.82 72.34 12.59 12.28 73.71 11.86 11.55 73.02 12.22 2 0 1000.00 -999 ? >GLU.A 50 10.15 72.65 18.08 11.24 73.62 16.49 10.69 73.14 17.29 2 0 1000.00 -999 ? >ALA.A 51 7.70 67.52 15.64 7.62 67.14 14.17 7.66 67.33 14.91 2 0 1000.00 -999 ? >VAL.A 52 9.39 64.67 17.53 9.96 62.85 16.38 9.68 63.76 16.95 3 0 1000.00 -999 ? >GLN^A 53 8.41 66.77 21.29 6.36 67.29 21.35 7.39 67.03 21.32 2 0 1000.00 -999 ? >LEU^A 54 12.97 62.20 23.97 13.96 60.97 22.51 13.46 61.58 23.24 3 0 1000.00 -999 ? >GLN^A 55 8.13 62.65 27.14 6.26 61.93 27.74 7.19 62.29 27.44 2 0 1000.00 -999 ? >LEU^A 56 14.10 63.95 30.57 16.03 63.78 29.65 15.06 63.86 30.11 3 0 1000.00 -999 ? >TYR^A 57 9.48 60.92 33.28 7.22 60.89 31.63 8.35 60.90 32.46 3 0 1000.00 -999 ? >GLN.A 58 14.50 65.06 36.59 14.85 67.12 37.04 14.68 66.09 36.81 2 0 1000.00 -999 ? >HIS.A 59 10.26 64.40 40.44 11.22 66.27 40.48 10.74 65.33 40.46 3 0 1000.00 -999 ? >GLY~A 60 9.39 58.64 38.46 9.23 59.35 38.07 9.31 58.99 38.26 1 0 1000.00 -999 ? >TYR~A 61 6.45 56.51 33.42 5.46 56.53 30.79 5.96 56.52 32.10 3 0 1000.00 -999 ? >ALA~A 62 3.87 57.96 37.68 3.65 57.18 39.02 3.76 57.57 38.35 2 0 1000.00 -999 ? >LYS~A 63 4.36 61.68 38.39 2.94 63.75 43.20 3.65 62.71 40.79 2 0 1000.00 -999 ? >HIS~A 64 1.28 62.88 35.68 0.15 63.54 37.33 0.71 63.21 36.50 3 0 1000.00 -999 ? >ASP.A 65 6.00 66.20 36.27 7.31 64.97 37.53 6.65 65.58 36.90 2 0 1000.00 -999 ? >PRO.A 66 7.02 64.61 30.64 7.93 65.33 32.52 7.47 64.97 31.58 3 0 1000.00 -999 ? >ILE^A 67 12.66 67.60 31.10 13.82 68.23 31.67 13.24 67.91 31.39 3 0 1000.00 -999 ? >ASN^A 68 9.80 68.96 26.26 9.58 68.76 24.14 9.69 68.86 25.20 2 0 1000.00 -999 ? >VAL^A 69 13.66 67.17 24.51 15.33 65.98 25.27 14.49 66.57 24.89 3 0 1000.00 -999 ? >TYR^A 70 11.99 69.74 20.52 9.88 71.26 21.47 10.93 70.50 21.00 3 0 1000.00 -999 ? >VAL.A 71 14.84 65.35 18.08 14.75 63.15 18.15 14.80 64.25 18.12 3 0 1000.00 -999 ? >ASN.A 72 17.46 67.75 14.86 19.28 66.65 14.62 18.37 67.20 14.74 2 0 1000.00 -999 ? >GLN.A 73 17.10 67.59 9.90 17.25 69.58 10.80 17.17 68.59 10.35 2 0 1000.00 -999 ? >ASP.A 74 20.31 64.32 11.35 20.36 65.45 9.59 20.33 64.89 10.47 2 0 1000.00 -999 ? >GLY.A 75 17.65 61.83 14.65 18.17 62.46 14.73 17.91 62.15 14.69 1 0 1000.00 -999 ? >MET?A 76 19.89 63.74 17.14 23.34 64.74 14.82 21.61 64.24 15.98 2 0 1000.00 -999 ? >TYR.A 77 18.29 63.72 22.24 19.39 62.01 24.20 18.84 62.86 23.22 3 0 1000.00 -999 ? >SER.A 78 20.47 67.67 22.88 22.33 69.27 23.07 21.40 68.47 22.97 2 0 1000.00 -999 ? >ALA.A 79 19.20 68.74 26.29 18.37 67.71 27.00 18.79 68.22 26.65 2 0 1000.00 -999 ? >ASN.A 80 20.92 72.72 28.56 21.83 73.26 26.72 21.38 72.99 27.64 2 0 1000.00 -999 ? >LEU.A 81 20.19 68.12 32.06 18.55 67.09 31.08 19.37 67.60 31.57 3 0 1000.00 -999 ? >PHE.A 82 20.82 71.69 37.02 20.33 74.43 37.00 20.58 73.06 37.01 3 0 1000.00 -999 ? >ASP.A 83 25.07 66.71 37.42 26.65 67.29 36.11 25.86 67.00 36.76 2 0 1000.00 -999 ? >GLY^A 84 21.68 63.94 38.35 21.81 63.74 37.53 21.75 63.84 37.94 1 0 1000.00 -999 ? >GLU^A 85 20.47 59.32 39.43 21.54 58.17 38.03 21.00 58.74 38.73 2 0 1000.00 -999 ? >TYR^A 86 17.65 63.15 34.10 18.38 65.77 34.87 18.01 64.46 34.48 3 0 1000.00 -999 ? >GLN^A 87 14.08 56.98 35.10 12.66 55.87 36.13 13.37 56.43 35.61 2 0 1000.00 -999 ? >MET?A 88 14.41 58.89 29.40 17.12 60.17 26.44 15.77 59.53 27.92 2 0 1000.00 -999 ? >ILE^A 89 10.52 56.96 28.12 9.23 56.60 28.52 9.87 56.78 28.32 3 0 1000.00 -999 ? >THR^A 90 10.01 58.22 23.82 10.16 56.52 22.52 10.08 57.37 23.17 2 0 1000.00 -999 ? >LYS.A 91 6.68 60.15 23.94 3.66 65.47 22.64 5.17 62.81 23.29 2 0 1000.00 -999 ? >SER.A 92 3.89 57.64 23.47 2.20 56.06 24.02 3.05 56.85 23.75 2 0 1000.00 -999 ? >GLY.A 93 2.58 57.71 19.90 3.25 58.07 20.08 2.91 57.89 19.99 1 0 1000.00 -999 ? >ASN.A 94 5.34 61.53 19.70 6.29 63.17 18.77 5.81 62.35 19.24 2 0 1000.00 -999 ? >GLY.A 95 7.48 59.42 15.99 6.72 59.06 15.94 7.10 59.24 15.96 1 0 1000.00 -999 ? >PRO.A 96 9.33 58.30 12.22 7.65 57.55 13.51 8.49 57.93 12.86 3 0 1000.00 -999 ? >TRP.A 97 8.77 55.13 18.11 10.85 58.33 17.20 9.81 56.73 17.65 3 0 1000.00 -999 ? >THR.A 98 5.97 51.51 17.20 6.38 49.53 16.35 6.17 50.52 16.78 2 0 1000.00 -999 ? >SER.A 99 5.95 51.00 21.01 3.90 49.88 21.51 4.92 50.44 21.26 2 0 1000.00 -999 ? >GLU.A 100 9.45 45.92 19.49 8.61 44.40 20.70 9.03 45.16 20.10 2 0 1000.00 -999 ? >GLY.A 101 10.82 47.88 23.28 10.21 48.40 23.23 10.51 48.14 23.25 1 0 1000.00 -999 ? >ARG.A 102 7.04 54.17 24.29 5.85 55.60 26.81 6.45 54.88 25.55 2 0 1000.00 -999 ? >ASP.A 103 11.31 50.19 28.69 11.11 49.69 30.76 11.21 49.94 29.73 2 0 1000.00 -999 ? >THR.A 104 12.42 53.98 30.57 11.29 54.22 32.40 11.86 54.10 31.49 2 0 1000.00 -999 ? >ILE^A 105 16.79 54.74 28.86 17.31 54.67 27.61 17.05 54.71 28.24 3 0 1000.00 -999 ? >ASN^A 106 18.35 54.23 34.57 16.64 53.31 35.43 17.50 53.77 35.00 2 0 1000.00 -999 ? >VAL^A 107 20.56 57.94 32.71 20.43 58.99 30.84 20.49 58.47 31.78 3 0 1000.00 -999 ? >THR^A 108 23.14 59.42 35.06 24.29 58.55 36.67 23.71 58.98 35.87 2 0 1000.00 -999 ? >VAL^A 109 24.04 62.89 33.87 22.82 64.38 32.77 23.43 63.64 33.32 3 0 1000.00 -999 ? >ALA.A 110 27.58 63.70 35.10 28.28 62.47 35.80 27.93 63.08 35.45 2 0 1000.00 -999 ? >GLY.A 111 28.93 66.43 32.89 28.29 65.86 32.83 28.61 66.14 32.86 1 0 1000.00 -999 ? >ASN.A 112 28.91 66.63 28.02 28.98 68.76 28.04 28.94 67.70 28.03 2 0 1000.00 -999 ? >THR^A 113 26.59 62.60 28.75 25.92 61.73 30.68 26.26 62.17 29.71 2 0 1000.00 -999 ? >VAL^A 114 25.49 60.46 25.78 26.60 60.20 23.97 26.04 60.33 24.88 3 0 1000.00 -999 ? >GLN.A 115 20.45 57.20 26.99 21.46 55.38 27.28 20.96 56.29 27.14 2 0 1000.00 -999 ? >ASP.A 116 21.68 55.91 21.48 23.34 56.97 20.68 22.51 56.44 21.08 2 0 1000.00 -999 ? >VAL^A 117 17.33 55.51 22.23 15.72 56.81 23.01 16.53 56.16 22.62 3 0 1000.00 -999 ? >GLU^A 118 16.79 49.94 19.55 18.22 50.08 18.00 17.50 50.01 18.78 2 0 1000.00 -999 ? >VAL.A 119 13.17 52.19 18.38 12.94 54.37 17.88 13.06 53.28 18.13 3 0 1000.00 -999 ? >THR.A 120 11.45 49.92 15.88 11.04 47.89 16.21 11.25 48.91 16.05 2 0 1000.00 -999 ? >PRO.A 121 12.75 52.02 12.29 10.80 51.50 13.27 11.77 51.76 12.78 3 0 1000.00 -999 ? >TYR.A 122 5.33 52.25 11.53 3.71 52.94 13.70 4.52 52.60 12.62 3 0 1000.00 -999 ? >TYR^A 123 7.32 51.28 6.07 5.09 49.67 5.75 6.21 50.48 5.91 3 0 1000.00 -999 ? >LEU^A 124 14.03 52.49 6.57 14.89 52.40 8.56 14.46 52.45 7.56 3 0 1000.00 -999 ? >VAL^A 125 13.30 54.94 2.88 12.47 56.86 2.22 12.88 55.90 2.55 3 0 1000.00 -999 ? >ARG^A 126 17.18 51.78 3.47 18.34 51.46 6.31 17.76 51.62 4.89 2 0 1000.00 -999 ? >ASP^A 127 17.92 52.77 -2.95 18.94 51.06 -2.23 18.43 51.91 -2.59 2 0 1000.00 -999 ? >ALA^A 128 16.58 57.43 -2.46 16.28 58.45 -1.34 16.43 57.94 -1.90 2 0 1000.00 -999 ? >GLN^A 129 18.53 56.88 -6.52 19.24 55.73 -8.20 18.89 56.31 -7.36 2 0 1000.00 -999 ? >MET?A 130 16.32 62.46 -7.09 14.44 64.00 -3.57 15.38 63.23 -5.33 2 0 1000.00 -999 ? >THR^A 131 17.76 63.56 -10.43 17.97 61.56 -11.21 17.86 62.56 -10.82 2 0 1000.00 -999 ? >LEU^A 132 18.15 67.97 -11.79 17.58 69.98 -11.68 17.86 68.97 -11.74 3 0 1000.00 -999 ? >GLU^A 133 17.18 64.18 -16.32 16.47 62.17 -16.34 16.83 63.17 -16.33 2 0 1000.00 -999 ? >GLY.A 134 16.43 70.10 -17.54 16.25 69.76 -16.78 16.34 69.93 -17.16 1 0 1000.00 -999 ? >ASN.A 135 12.36 72.48 -16.58 13.24 74.27 -17.31 12.80 73.38 -16.95 2 0 1000.00 -999 ? >LYS^A 136 12.17 68.10 -14.71 8.81 67.90 -18.80 10.49 68.00 -16.75 2 0 1000.00 -999 ? >VAL^A 137 12.72 66.07 -11.50 12.99 66.89 -9.48 12.85 66.48 -10.49 3 0 1000.00 -999 ? >ASN^A 138 13.33 61.41 -12.47 12.26 61.42 -14.32 12.80 61.41 -13.40 2 0 1000.00 -999 ? >ALA^A 139 12.47 60.73 -7.92 11.69 61.62 -6.90 12.08 61.18 -7.41 2 0 1000.00 -999 ? >SER^A 140 12.54 57.09 -6.78 14.42 56.29 -8.06 13.48 56.69 -7.42 2 0 1000.00 -999 ? >PHE^A 141 11.34 55.64 -2.27 8.60 55.53 -1.83 9.97 55.59 -2.05 3 0 1000.00 -999 ? >LYS^A 142 13.05 51.44 -2.30 16.85 48.22 -5.89 14.95 49.83 -4.10 2 0 1000.00 -999 ? >VAL^A 143 10.86 50.35 0.56 8.67 50.09 0.59 9.77 50.22 0.57 3 0 1000.00 -999 ? >GLU^A 144 13.88 47.90 5.36 15.78 47.73 6.10 14.83 47.82 5.73 2 0 1000.00 -999 ? >LYS^A 145 9.54 47.18 5.72 4.66 43.47 5.10 7.10 45.32 5.41 2 0 1000.00 -999 ? >VAL.A 146 10.34 46.93 9.43 12.04 48.05 10.26 11.19 47.49 9.84 3 0 1000.00 -999 ? >ALA.A 147 7.29 46.81 11.79 6.89 47.80 12.90 7.09 47.30 12.35 2 0 1000.00 -999 ? >GLY.A 148 5.05 47.40 8.79 4.93 47.67 9.53 4.99 47.54 9.16 1 0 1000.00 -999 ? >GLY.A 149 1.35 48.15 8.90 1.66 48.26 8.16 1.51 48.21 8.53 1 0 1000.00 -999 ? >GLY.A 150 0.84 49.71 5.47 1.37 50.13 5.98 1.10 49.92 5.73 1 0 1000.00 -999 ? >ILE^A 151 2.76 52.78 2.42 4.05 52.83 1.83 3.40 52.81 2.13 3 0 1000.00 -999 ? >ASP^A 152 -0.69 56.64 5.20 -2.44 57.83 5.30 -1.57 57.24 5.25 2 0 1000.00 -999 ? >ARG^A 153 0.63 61.79 2.80 -2.13 62.74 1.80 -0.75 62.26 2.30 2 0 1000.00 -999 ? >VAL^A 154 4.43 58.77 -0.21 4.76 56.96 -1.42 4.60 57.87 -0.81 3 0 1000.00 -999 ? >PHE^A 155 5.02 63.37 0.86 5.13 63.80 3.64 5.07 63.58 2.25 3 0 1000.00 -999 ? >PHE^A 156 9.27 64.31 -4.81 8.80 65.32 -7.38 9.03 64.81 -6.10 3 0 1000.00 -999 ? >MET?A 157 9.72 67.72 -1.48 9.10 66.46 2.43 9.41 67.09 0.48 2 0 1000.00 -999 ? >LEU^A 158 11.59 70.58 -4.64 12.23 69.32 -6.30 11.91 69.95 -5.47 3 0 1000.00 -999 ? >SER^A 159 13.49 73.31 -1.54 14.28 73.82 0.65 13.88 73.57 -0.45 2 0 1000.00 -999 ? >THR.A 160 16.19 75.91 -2.06 15.20 77.80 -2.26 15.70 76.85 -2.16 2 0 1000.00 -999 ? >THR.A 161 17.71 74.97 1.35 16.71 76.38 2.68 17.21 75.68 2.01 2 0 1000.00 -999 ? >GLN.A 162 19.95 72.44 5.18 21.27 71.63 6.63 20.61 72.03 5.90 2 0 1000.00 -999 ? >PHE.A 163 16.91 73.85 7.27 19.41 74.50 8.30 18.16 74.17 7.79 3 0 1000.00 -999 ? >VAL.A 164 13.13 70.07 3.91 13.64 69.49 1.86 13.38 69.78 2.88 3 0 1000.00 -999 ? >ASN.A 165 10.34 68.33 6.98 9.90 70.25 7.76 10.12 69.29 7.37 2 0 1000.00 -999 ? >ASP.A 166 5.53 66.54 5.81 4.76 67.00 7.75 5.14 66.77 6.78 2 0 1000.00 -999 ? >ALA.A 167 5.62 71.30 6.12 5.33 71.68 7.55 5.48 71.49 6.83 2 0 1000.00 -999 ? >GLU.A 168 9.61 73.68 7.24 11.33 74.08 8.46 10.47 73.88 7.85 2 0 1000.00 -999 ? >HIS.A 169 7.16 71.58 1.10 5.11 71.63 1.54 6.14 71.60 1.32 3 0 1000.00 -999 ? >ASN.A 170 10.64 77.30 0.08 12.70 77.11 -0.44 11.67 77.20 -0.18 2 0 1000.00 -999 ? >VAL.A 171 9.86 74.86 -4.09 11.63 74.63 -5.35 10.74 74.74 -4.72 3 0 1000.00 -999 ? >ASP^A 172 7.48 71.29 -5.53 5.65 70.41 -6.29 6.57 70.85 -5.91 2 0 1000.00 -999 ? >ARG^A 173 3.95 67.89 0.88 2.27 66.32 2.94 3.11 67.10 1.91 2 0 1000.00 -999 ? >TYR^A 174 4.30 65.09 -6.84 3.01 63.29 -8.52 3.65 64.19 -7.68 3 0 1000.00 -999 ? >ASP^A 175 1.10 63.63 -2.17 1.72 64.65 -0.40 1.41 64.14 -1.28 2 0 1000.00 -999 ? >GLU^A 176 2.29 60.02 -6.80 3.66 59.16 -8.20 2.97 59.59 -7.50 2 0 1000.00 -999 ? >THR.A 177 -1.51 57.78 -2.85 -2.68 59.56 -2.28 -2.10 58.67 -2.56 2 0 1000.00 -999 ? >ASP.A 178 -2.74 55.03 -6.83 -4.13 56.42 -7.50 -3.43 55.72 -7.16 2 0 1000.00 -999 ? >ASN~A 179 -1.06 51.07 -6.47 -2.47 50.77 -8.00 -1.77 50.92 -7.23 2 0 1000.00 -999 ? >LEU~A 180 0.63 52.87 -1.14 1.29 54.87 -1.78 0.96 53.87 -1.46 3 0 1000.00 -999 ? >ASP~A 181 -1.61 47.51 -0.96 -3.16 48.84 -0.44 -2.39 48.18 -0.70 2 0 1000.00 -999 ? >ALA~A 182 1.62 46.92 -4.05 1.25 47.25 -5.50 1.43 47.08 -4.78 2 0 1000.00 -999 ? >TYR~A 183 4.95 50.28 -4.30 4.49 51.06 -6.91 4.72 50.67 -5.60 3 0 1000.00 -999 ? >ASP~A 184 3.10 47.03 1.64 3.21 47.08 3.76 3.15 47.06 2.70 2 0 1000.00 -999 ? >THR.A 186 11.13 45.16 1.59 12.48 44.76 3.18 11.81 44.96 2.38 2 0 1000.00 -999 ? >GLY.A 187 13.02 45.83 -1.67 12.30 46.16 -1.60 12.66 45.99 -1.64 1 0 1000.00 -999 ? >LYS.A 188 10.10 47.20 -3.71 7.07 43.22 -3.38 8.58 45.21 -3.55 2 0 1000.00 -999 ? >LEU^A 189 11.90 49.84 -7.39 13.28 51.31 -8.34 12.59 50.58 -7.87 3 0 1000.00 -999 ? >TYR^A 190 7.04 54.38 -4.99 4.67 55.72 -5.56 5.86 55.05 -5.28 3 0 1000.00 -999 ? >THR^A 191 9.06 55.59 -8.97 10.25 55.17 -10.74 9.66 55.38 -9.86 2 0 1000.00 -999 ? >PHE.A 192 7.63 60.06 -6.53 7.47 59.84 -3.77 7.55 59.95 -5.15 3 0 1000.00 -999 ? >ALA.A 193 5.69 60.65 -11.86 4.25 61.25 -11.88 4.97 60.95 -11.87 2 0 1000.00 -999 ? >THR.A 194 8.05 63.14 -13.51 9.49 62.98 -15.12 8.77 63.06 -14.31 2 0 1000.00 -999 ? >ARG^A 195 5.04 65.69 -10.60 2.41 67.25 -10.90 3.73 66.47 -10.75 2 0 1000.00 -999 ? >ASP^A 196 7.51 69.96 -15.88 8.62 71.14 -17.18 8.07 70.55 -16.53 2 0 1000.00 -999 ? >TYR.A 197 9.56 71.86 -10.77 8.54 69.81 -9.12 9.05 70.84 -9.95 3 0 1000.00 -999 ? >THR.A 198 9.40 75.48 -15.85 9.21 75.20 -17.91 9.31 75.34 -16.88 2 0 1000.00 -999 ? >ASN~A 200 8.51 76.61 -10.06 8.66 76.58 -7.98 8.58 76.59 -9.02 2 0 1000.00 -999 ? >SER~A 201 10.47 81.19 -9.98 8.97 82.99 -10.69 9.72 82.09 -10.34 2 0 1000.00 -999 ? >MET?A 202 11.92 79.72 -6.77 11.65 81.25 -3.55 11.78 80.48 -5.16 2 0 1000.00 -999 ? >PHE~A 203 12.57 74.52 -10.23 13.73 72.38 -11.69 13.15 73.45 -10.95 3 0 1000.00 -999 ? >GLN~A 204 12.53 78.42 -13.48 13.38 76.98 -14.85 12.95 77.70 -14.16 2 0 1000.00 -999 ? >THR~A 205 16.16 80.64 -9.14 15.73 82.49 -8.01 15.94 81.56 -8.58 2 0 1000.00 -999 ? >ALA~A 206 17.47 77.57 -7.25 16.61 76.52 -6.63 17.04 77.04 -6.94 2 0 1000.00 -999 ? >LEU~A 207 17.99 75.94 -11.83 16.92 74.08 -12.20 17.46 75.01 -12.02 3 0 1000.00 -999 ? >ARG~A 209 20.27 81.86 -4.91 17.53 82.45 -3.59 18.90 82.16 -4.25 2 0 1000.00 -999 ? >GLY~A 210 22.85 76.27 -8.10 22.35 76.54 -7.50 22.60 76.41 -7.80 1 0 1000.00 -999 ? >THR.A 211 20.98 75.26 -4.92 21.11 77.23 -4.05 21.05 76.25 -4.48 2 0 1000.00 -999 ? >LEU^A 212 17.72 72.34 -6.56 15.68 71.94 -7.17 16.70 72.14 -6.87 3 0 1000.00 -999 ? >PHE^A 213 19.01 71.34 -0.65 21.50 72.50 -0.17 20.25 71.92 -0.41 3 0 1000.00 -999 ? >GLY^A 214 15.05 67.33 -2.20 15.65 67.27 -1.60 15.35 67.30 -1.90 1 0 1000.00 -999 ? >ARG^A 215 14.02 65.21 4.03 14.27 64.76 7.07 14.15 64.99 5.55 2 0 1000.00 -999 ? >ILE^A 216 11.88 60.56 -0.76 11.80 59.69 -1.93 11.84 60.13 -1.35 3 0 1000.00 -999 ? >CYH^A 217 8.92 60.62 2.73 7.18 61.34 4.83 8.05 60.98 3.78 2 0 1000.00 -999 ? >ILE^A 218 7.60 55.98 3.67 7.84 54.60 3.30 7.72 55.29 3.48 3 0 1000.00 -999 ? >TRP^A 219 1.77 59.10 7.85 3.01 62.76 8.54 2.39 60.93 8.20 3 0 1000.00 -999 ? >PRO^A 220 5.41 55.02 8.67 3.55 55.42 7.46 4.48 55.22 8.06 3 0 1000.00 -999 ? >LYS.A 221 -0.42 53.94 8.33 -3.67 50.49 4.05 -2.05 52.22 6.19 2 0 1000.00 -999 ? >GLY.A 222 -0.94 54.55 12.03 -0.46 55.04 11.63 -0.70 54.80 11.83 1 0 1000.00 -999 ? >SER.A 223 2.06 56.90 12.45 4.30 57.70 12.11 3.18 57.30 12.28 2 0 1000.00 -999 ? >ASP.A 224 1.76 61.02 15.02 3.71 61.28 15.83 2.74 61.15 15.42 2 0 1000.00 -999 ? >GLN.A 225 5.89 62.63 13.51 5.97 64.45 12.45 5.93 63.54 12.98 2 0 1000.00 -999 ? >GLY.A 226 6.70 60.56 8.29 7.04 60.64 9.03 6.87 60.60 8.66 1 0 1000.00 -999 ? >ILE^A 227 10.16 57.16 8.18 10.86 56.78 8.44 10.51 56.97 8.31 3 0 1000.00 -999 ? >TYR^A 228 11.39 62.53 6.09 9.22 64.16 6.78 10.31 63.35 6.44 3 0 1000.00 -999 ? >SER.A 229 15.27 59.81 3.08 15.04 61.45 1.23 15.16 60.63 2.15 2 0 1000.00 -999 ? >LYS.A 230 18.35 61.90 3.77 23.86 58.99 5.17 21.10 60.44 4.47 2 0 1000.00 -999 ? >VAL.A 231 18.29 65.38 2.18 18.30 67.41 2.86 18.29 66.39 2.52 3 0 1000.00 -999 ? >ILE^A 232 18.85 64.26 -2.35 18.69 63.07 -3.10 18.77 63.67 -2.72 3 0 1000.00 -999 ? >ARG^A 233 23.65 70.77 -2.87 24.63 73.62 -3.07 24.14 72.20 -2.97 2 0 1000.00 -999 ? >LEU^A 234 18.55 67.98 -7.22 16.65 67.30 -6.46 17.60 67.64 -6.84 3 0 1000.00 -999 ? >LYS^A 235 22.06 70.74 -7.92 22.04 74.60 -12.80 22.05 72.67 -10.36 2 0 1000.00 -999 ? >GLU.B 30 -22.77 76.50 5.32 -20.91 77.43 5.41 -21.84 76.97 5.37 2 0 1000.00 -999 ? >SER^B 31 -25.01 72.24 6.57 -25.60 72.08 4.26 -25.31 72.16 5.42 2 0 1000.00 -999 ? >MET?B 32 -24.09 70.49 9.78 -25.70 72.19 13.24 -24.89 71.34 11.51 2 0 1000.00 -999 ? >LEU^B 33 -20.99 67.00 8.56 -20.29 65.05 7.82 -20.64 66.02 8.19 3 0 1000.00 -999 ? >THR^B 34 -22.38 65.44 12.80 -24.32 66.21 13.57 -23.35 65.83 13.19 2 0 1000.00 -999 ? >GLY^B 35 -21.49 61.98 14.04 -21.15 62.50 14.55 -21.32 62.24 14.30 1 0 1000.00 -999 ? >ARG^B 36 -22.81 58.46 18.32 -25.52 58.33 19.68 -24.16 58.40 19.00 2 0 1000.00 -999 ? >VAL^B 37 -16.34 57.96 16.70 -14.27 58.62 16.64 -15.31 58.29 16.67 3 0 1000.00 -999 ? >MET?B 38 -17.51 54.56 17.88 -20.57 53.26 15.78 -19.04 53.91 16.83 2 0 1000.00 -999 ? >TYR^B 39 -15.17 49.09 19.20 -14.58 46.37 19.23 -14.88 47.73 19.22 3 0 1000.00 -999 ? >ASN.B 40 -19.05 47.07 18.89 -17.83 45.63 17.89 -18.44 46.35 18.39 2 0 1000.00 -999 ? >GLY.B 41 -22.22 50.87 18.40 -21.55 51.01 18.77 -21.89 50.94 18.58 1 0 1000.00 -999 ? >GLU^B 42 -20.09 52.53 23.85 -18.95 51.32 25.20 -19.52 51.93 24.53 2 0 1000.00 -999 ? >ALA^B 43 -19.30 56.26 21.18 -20.08 57.53 21.45 -19.69 56.89 21.31 2 0 1000.00 -999 ? >LEU.B 44 -14.43 56.30 21.80 -13.70 54.45 20.98 -14.07 55.38 21.39 3 0 1000.00 -999 ? >GLN.B 45 -16.61 57.70 27.42 -17.68 59.50 27.58 -17.15 58.60 27.50 2 0 1000.00 -999 ? >LEU.B 46 -12.10 61.04 23.28 -11.99 59.66 21.64 -12.04 60.35 22.46 3 0 1000.00 -999 ? >ARG.B 47 -6.75 65.54 26.14 -4.41 67.52 26.53 -5.58 66.53 26.33 2 0 1000.00 -999 ? >GLY.B 48 -12.02 66.89 24.16 -11.29 66.93 24.46 -11.66 66.91 24.31 1 0 1000.00 -999 ? >ASN.B 49 -10.51 71.12 24.51 -9.91 73.13 24.24 -10.21 72.13 24.38 2 0 1000.00 -999 ? >GLU.B 50 -10.09 71.91 19.31 -9.71 73.76 18.31 -9.90 72.84 18.81 2 0 1000.00 -999 ? >ALA.B 51 -7.06 66.74 21.08 -7.12 66.01 22.45 -7.09 66.37 21.76 2 0 1000.00 -999 ? >VAL.B 52 -8.62 64.31 18.58 -9.17 62.30 19.27 -8.89 63.30 18.93 3 0 1000.00 -999 ? >GLN^B 53 -7.61 65.97 13.79 -6.66 67.68 12.90 -7.13 66.83 13.35 2 0 1000.00 -999 ? >LEU^B 54 -12.56 63.24 11.84 -13.46 61.62 13.00 -13.01 62.43 12.42 3 0 1000.00 -999 ? >GLN^B 55 -7.74 64.60 9.06 -5.78 64.22 8.40 -6.76 64.41 8.73 2 0 1000.00 -999 ? >LEU^B 56 -13.74 66.44 5.69 -15.59 66.01 6.65 -14.66 66.23 6.17 3 0 1000.00 -999 ? >TYR^B 57 -8.86 64.31 2.49 -6.66 64.04 4.20 -7.76 64.18 3.34 3 0 1000.00 -999 ? >GLN.B 58 -13.60 69.19 0.49 -14.67 70.99 0.27 -14.14 70.09 0.38 2 0 1000.00 -999 ? >HIS.B 59 -9.91 69.67 -3.25 -10.81 71.45 -2.60 -10.36 70.56 -2.93 3 0 1000.00 -999 ? >GLY~B 60 -8.49 63.62 -3.23 -8.40 64.20 -2.64 -8.44 63.91 -2.93 1 0 1000.00 -999 ? >TYR~B 61 -5.62 60.41 1.24 -4.80 59.76 3.83 -5.21 60.09 2.53 3 0 1000.00 -999 ? >ALA~B 62 -2.98 63.27 -2.40 -2.69 62.91 -3.82 -2.84 63.09 -3.11 2 0 1000.00 -999 ? >HIS~B 64 -0.75 67.44 1.07 0.46 68.66 -0.14 -0.14 68.05 0.46 3 0 1000.00 -999 ? >ASP.B 65 -5.67 70.48 1.19 -7.14 69.77 -0.17 -6.40 70.13 0.51 2 0 1000.00 -999 ? >PRO.B 66 -6.53 67.31 6.13 -7.54 68.44 4.48 -7.04 67.87 5.31 3 0 1000.00 -999 ? >ILE^B 67 -12.27 70.41 6.34 -13.42 71.11 5.93 -12.85 70.76 6.14 3 0 1000.00 -999 ? >ASN^B 68 -9.22 70.00 11.36 -7.44 70.48 10.41 -8.33 70.24 10.88 2 0 1000.00 -999 ? >VAL^B 69 -13.17 68.20 12.47 -14.85 67.30 11.42 -14.01 67.75 11.94 3 0 1000.00 -999 ? >TYR^B 70 -11.21 69.96 16.39 -9.04 71.04 15.03 -10.13 70.50 15.71 3 0 1000.00 -999 ? >VAL.B 71 -14.21 65.34 18.46 -14.07 63.28 17.88 -14.14 64.31 18.17 3 0 1000.00 -999 ? >ASN.B 72 -16.98 66.78 22.17 -18.79 65.58 22.23 -17.89 66.18 22.20 2 0 1000.00 -999 ? >GLN.B 73 -15.02 64.36 27.77 -15.13 65.67 29.42 -15.07 65.02 28.60 2 0 1000.00 -999 ? >ASP.B 74 -19.60 62.51 24.66 -19.73 63.15 26.68 -19.67 62.83 25.67 2 0 1000.00 -999 ? >GLY.B 75 -16.88 61.03 20.96 -17.39 61.62 21.04 -17.14 61.32 21.00 1 0 1000.00 -999 ? >MET?B 76 -19.17 63.35 19.02 -22.70 63.62 21.46 -20.94 63.49 20.24 2 0 1000.00 -999 ? >TYR.B 77 -17.76 64.67 14.12 -18.81 63.40 11.84 -18.28 64.04 12.98 3 0 1000.00 -999 ? >SER.B 78 -20.00 68.62 14.50 -21.85 70.18 14.62 -20.92 69.40 14.56 2 0 1000.00 -999 ? >ALA.B 79 -18.82 70.64 11.49 -17.80 69.91 10.69 -18.31 70.27 11.09 2 0 1000.00 -999 ? >ASN.B 80 -20.81 74.72 9.94 -22.06 74.70 11.64 -21.43 74.71 10.79 2 0 1000.00 -999 ? >LEU.B 81 -19.54 71.21 5.50 -17.97 69.99 6.42 -18.75 70.60 5.96 3 0 1000.00 -999 ? >PHE.B 82 -19.89 75.36 1.22 -19.27 78.05 1.63 -19.58 76.71 1.42 3 0 1000.00 -999 ? >ASP.B 83 -24.48 70.89 -0.10 -25.99 71.30 1.29 -25.23 71.09 0.60 2 0 1000.00 -999 ? >GLY^B 84 -21.11 68.24 -1.53 -21.34 67.87 -0.83 -21.22 68.06 -1.18 1 0 1000.00 -999 ? >GLU^B 85 -20.39 64.23 -3.62 -20.83 65.88 -4.92 -20.61 65.05 -4.27 2 0 1000.00 -999 ? >TYR^B 86 -17.09 66.54 2.33 -17.84 69.22 2.18 -17.47 67.88 2.25 3 0 1000.00 -999 ? >GLN^B 87 -13.57 61.04 -0.32 -12.26 60.18 -1.66 -12.91 60.61 -0.99 2 0 1000.00 -999 ? >MET?B 88 -13.72 61.29 5.76 -16.54 61.95 8.92 -15.13 61.62 7.34 2 0 1000.00 -999 ? >ILE^B 89 -9.83 59.21 6.57 -8.45 59.00 6.12 -9.14 59.11 6.35 3 0 1000.00 -999 ? >THR^B 90 -9.31 59.45 11.06 -9.47 57.48 11.93 -9.39 58.47 11.49 2 0 1000.00 -999 ? >LYS.B 91 -6.05 61.41 11.33 -2.82 66.54 13.29 -4.44 63.97 12.31 2 0 1000.00 -999 ? >SER.B 92 -3.18 58.94 11.16 -1.38 57.67 10.27 -2.28 58.30 10.71 2 0 1000.00 -999 ? >GLY.B 93 -1.83 58.25 14.63 -2.50 58.62 14.53 -2.17 58.43 14.58 1 0 1000.00 -999 ? >ASN.B 94 -4.71 61.89 15.76 -5.57 63.30 17.09 -5.14 62.59 16.43 2 0 1000.00 -999 ? >GLY.B 95 -6.68 58.84 18.89 -5.93 58.47 18.85 -6.30 58.65 18.87 1 0 1000.00 -999 ? >PRO.B 96 -8.53 56.75 22.29 -6.87 56.39 20.82 -7.70 56.57 21.55 3 0 1000.00 -999 ? >TRP.B 97 -7.96 55.15 15.71 -10.06 57.93 17.47 -9.01 56.54 16.59 3 0 1000.00 -999 ? >THR.B 98 -5.10 51.27 15.86 -5.41 49.17 16.22 -5.26 50.22 16.04 2 0 1000.00 -999 ? >SER.B 99 -4.95 51.82 12.14 -2.80 51.04 11.36 -3.88 51.43 11.75 2 0 1000.00 -999 ? >GLU.B 100 -7.35 46.05 11.99 -5.86 45.33 10.68 -6.61 45.69 11.33 2 0 1000.00 -999 ? >GLY.B 101 -9.81 49.20 9.39 -9.21 49.73 9.51 -9.51 49.46 9.45 1 0 1000.00 -999 ? >ARG.B 102 -6.24 55.61 9.59 -5.11 57.67 7.55 -5.67 56.64 8.57 2 0 1000.00 -999 ? >ASP.B 103 -10.71 52.62 4.69 -10.30 52.47 2.62 -10.50 52.54 3.66 2 0 1000.00 -999 ? >THR.B 104 -11.89 56.74 3.73 -10.80 57.48 1.97 -11.34 57.11 2.85 2 0 1000.00 -999 ? >ILE^B 105 -16.19 57.28 5.61 -16.67 56.92 6.83 -16.43 57.10 6.22 3 0 1000.00 -999 ? >ASN^B 106 -17.92 57.79 0.03 -16.24 57.23 -1.19 -17.08 57.51 -0.58 2 0 1000.00 -999 ? >VAL^B 107 -20.01 61.20 2.63 -19.81 61.79 4.72 -19.91 61.50 3.68 3 0 1000.00 -999 ? >THR^B 108 -22.67 63.15 0.76 -23.83 62.57 -0.93 -23.25 62.86 -0.08 2 0 1000.00 -999 ? >VAL^B 109 -23.48 66.26 2.71 -22.27 67.46 4.08 -22.88 66.86 3.39 3 0 1000.00 -999 ? >ALA.B 110 -26.97 67.42 1.55 -27.68 66.40 0.65 -27.32 66.91 1.10 2 0 1000.00 -999 ? >GLY.B 111 -28.28 69.59 4.30 -27.68 69.02 4.26 -27.98 69.30 4.28 1 0 1000.00 -999 ? >ASN.B 112 -28.40 68.76 9.09 -28.50 70.85 9.55 -28.45 69.81 9.32 2 0 1000.00 -999 ? >THR^B 113 -26.11 64.97 7.60 -25.43 64.57 5.57 -25.77 64.77 6.59 2 0 1000.00 -999 ? >VAL^B 114 -25.04 62.24 10.05 -26.21 61.50 11.73 -25.63 61.87 10.89 3 0 1000.00 -999 ? >GLN.B 115 -19.97 59.57 8.02 -20.92 57.86 7.18 -20.44 58.72 7.60 2 0 1000.00 -999 ? >ASP.B 116 -21.09 56.84 12.93 -22.68 57.70 14.01 -21.88 57.27 13.47 2 0 1000.00 -999 ? >VAL^B 117 -16.75 56.54 12.07 -15.09 57.90 11.62 -15.92 57.22 11.85 3 0 1000.00 -999 ? >GLU^B 118 -16.11 50.51 13.39 -17.59 50.05 14.84 -16.85 50.28 14.12 2 0 1000.00 -999 ? >VAL.B 119 -12.49 52.52 14.90 -12.21 54.47 15.93 -12.35 53.50 15.41 3 0 1000.00 -999 ? >THR.B 120 -10.61 49.70 16.61 -10.03 47.83 15.67 -10.32 48.77 16.14 2 0 1000.00 -999 ? >PRO.B 121 -12.09 50.69 20.54 -10.07 50.45 19.60 -11.08 50.57 20.07 3 0 1000.00 -999 ? >TYR.B 122 -4.61 50.71 21.43 -2.91 51.87 19.54 -3.76 51.29 20.48 3 0 1000.00 -999 ? >TYR^B 123 -6.63 48.51 26.51 -4.39 46.88 26.41 -5.51 47.70 26.46 3 0 1000.00 -999 ? >LEU^B 124 -13.36 49.79 26.17 -14.14 50.36 24.22 -13.75 50.08 25.19 3 0 1000.00 -999 ? >VAL^B 125 -12.62 51.23 30.37 -11.74 52.92 31.43 -12.18 52.08 30.90 3 0 1000.00 -999 ? >ARG^B 126 -16.53 48.40 29.09 -17.71 49.03 26.35 -17.12 48.71 27.72 2 0 1000.00 -999 ? >ASP^B 127 -17.49 47.85 35.54 -18.80 47.53 37.22 -18.14 47.69 36.38 2 0 1000.00 -999 ? >ALA^B 128 -15.78 52.42 36.14 -15.43 53.74 35.33 -15.61 53.08 35.74 2 0 1000.00 -999 ? >GLN^B 129 -17.78 50.89 39.96 -18.44 49.31 41.23 -18.11 50.10 40.60 2 0 1000.00 -999 ? >MET?B 130 -15.49 56.14 41.80 -13.51 58.53 38.86 -14.50 57.34 40.33 2 0 1000.00 -999 ? >THR^B 131 -16.83 56.76 45.31 -16.91 54.68 45.91 -16.87 55.72 45.61 2 0 1000.00 -999 ? >LEU^B 132 -16.86 61.07 47.32 -16.27 62.98 48.14 -16.57 62.03 47.73 3 0 1000.00 -999 ? >GLU^B 133 -16.75 56.96 53.02 -17.25 54.89 52.97 -17.00 55.93 53.00 2 0 1000.00 -999 ? >GLY.B 134 -15.53 61.89 53.65 -15.33 61.70 52.81 -15.43 61.80 53.23 1 0 1000.00 -999 ? >ASN.B 135 -11.05 63.57 53.29 -11.72 65.31 54.25 -11.38 64.44 53.77 2 0 1000.00 -999 ? >LYS^B 136 -11.36 59.59 50.63 -8.35 57.97 54.73 -9.86 58.78 52.68 2 0 1000.00 -999 ? >VAL^B 137 -11.82 58.61 47.01 -11.94 60.00 45.28 -11.88 59.31 46.15 3 0 1000.00 -999 ? >ASN^B 138 -12.59 54.00 46.79 -11.49 53.62 48.57 -12.03 53.81 47.68 2 0 1000.00 -999 ? >ALA^B 139 -11.63 54.15 42.21 -10.85 55.21 41.43 -11.24 54.68 41.82 2 0 1000.00 -999 ? >SER^B 140 -11.76 50.96 40.16 -13.66 49.74 41.18 -12.71 50.35 40.67 2 0 1000.00 -999 ? >PHE^B 141 -10.56 50.68 35.43 -7.77 50.63 34.98 -9.16 50.66 35.21 3 0 1000.00 -999 ? >LYS^B 142 -12.45 46.61 34.54 -15.82 42.18 37.04 -14.14 44.39 35.79 2 0 1000.00 -999 ? >VAL^B 143 -10.18 46.19 31.55 -7.97 45.91 31.40 -9.07 46.05 31.47 3 0 1000.00 -999 ? >GLU^B 144 -13.26 45.10 26.34 -15.17 45.40 25.57 -14.22 45.25 25.96 2 0 1000.00 -999 ? >LYS^B 145 -8.80 44.49 25.76 -3.98 40.69 25.99 -6.39 42.59 25.87 2 0 1000.00 -999 ? >VAL.B 146 -9.73 45.00 22.10 -11.40 46.26 21.44 -10.57 45.63 21.77 3 0 1000.00 -999 ? >ALA.B 147 -6.64 45.41 19.89 -6.29 46.55 18.98 -6.47 45.98 19.44 2 0 1000.00 -999 ? >GLY.B 148 -4.34 45.34 22.95 -4.25 45.78 22.30 -4.30 45.56 22.63 1 0 1000.00 -999 ? >GLY.B 149 -0.63 46.08 22.90 -0.95 46.03 23.67 -0.79 46.06 23.28 1 0 1000.00 -999 ? >GLY.B 150 -0.10 46.75 26.60 -0.63 47.28 26.20 -0.36 47.02 26.40 1 0 1000.00 -999 ? >ILE^B 151 -1.93 48.95 30.28 -3.17 48.81 30.98 -2.55 48.88 30.63 3 0 1000.00 -999 ? >ASP^B 152 1.55 53.42 28.59 3.23 54.61 28.99 2.39 54.01 28.79 2 0 1000.00 -999 ? >ARG^B 153 0.54 57.75 31.99 3.10 58.74 33.34 1.82 58.24 32.66 2 0 1000.00 -999 ? >VAL^B 154 -3.66 54.00 34.43 -3.95 51.91 35.12 -3.81 52.96 34.78 3 0 1000.00 -999 ? >PHE^B 155 -4.14 58.72 34.43 -4.18 59.78 31.86 -4.16 59.25 33.15 3 0 1000.00 -999 ? >PHE^B 156 -8.42 58.51 40.07 -7.99 58.86 42.81 -8.21 58.68 41.44 3 0 1000.00 -999 ? >MET?B 157 -8.67 62.67 37.64 -8.06 62.37 33.54 -8.37 62.52 35.59 2 0 1000.00 -999 ? >LEU^B 158 -10.54 64.79 41.35 -11.07 63.12 42.66 -10.80 63.96 42.01 3 0 1000.00 -999 ? >SER^B 159 -12.24 68.20 38.83 -12.75 69.31 36.71 -12.49 68.75 37.77 2 0 1000.00 -999 ? >THR.B 160 -14.82 70.79 39.82 -13.85 72.55 40.50 -14.34 71.67 40.16 2 0 1000.00 -999 ? >THR.B 161 -16.33 70.63 36.33 -15.46 72.28 35.32 -15.90 71.45 35.82 2 0 1000.00 -999 ? >GLN.B 162 -18.88 69.13 32.16 -20.47 68.78 30.80 -19.68 68.95 31.48 2 0 1000.00 -999 ? >PHE.B 163 -15.63 70.34 29.98 -18.12 71.00 28.89 -16.87 70.67 29.44 3 0 1000.00 -999 ? >VAL.B 164 -11.81 66.27 32.67 -12.39 65.45 34.62 -12.10 65.86 33.64 3 0 1000.00 -999 ? >ASN.B 165 -8.92 65.21 29.40 -8.37 67.22 29.16 -8.65 66.21 29.28 2 0 1000.00 -999 ? >ASP.B 166 -4.24 63.08 30.27 -3.71 64.00 28.47 -3.98 63.54 29.37 2 0 1000.00 -999 ? >ALA.B 167 -4.28 67.73 31.03 -3.97 68.41 29.71 -4.13 68.07 30.37 2 0 1000.00 -999 ? >GLU.B 168 -7.99 70.34 30.26 -9.49 70.65 28.77 -8.74 70.49 29.52 2 0 1000.00 -999 ? >HIS.B 169 -5.89 66.81 35.99 -3.82 66.96 35.65 -4.86 66.88 35.82 3 0 1000.00 -999 ? >ASN.B 170 -9.06 72.34 38.31 -11.14 72.17 38.70 -10.10 72.26 38.50 2 0 1000.00 -999 ? >VAL.B 171 -8.51 68.97 41.77 -10.36 68.62 42.99 -9.43 68.79 42.38 3 0 1000.00 -999 ? >ASP^B 172 -6.28 65.13 42.40 -4.45 64.09 42.87 -5.36 64.61 42.64 2 0 1000.00 -999 ? >ARG^B 173 -3.02 63.11 35.30 -1.22 62.13 33.00 -2.12 62.62 34.15 2 0 1000.00 -999 ? >TYR^B 174 -3.43 58.73 42.29 -2.19 56.52 43.49 -2.81 57.63 42.89 3 0 1000.00 -999 ? >ASP^B 175 -0.26 58.12 37.33 -0.83 59.52 35.84 -0.55 58.82 36.58 2 0 1000.00 -999 ? >GLU^B 176 -1.57 53.85 41.11 -2.83 52.62 42.38 -2.20 53.23 41.75 2 0 1000.00 -999 ? >THR.B 177 2.40 52.72 36.63 3.47 54.61 36.54 2.94 53.67 36.59 2 0 1000.00 -999 ? >ASP.B 178 4.19 49.43 39.74 5.63 50.90 40.26 4.91 50.17 40.00 2 0 1000.00 -999 ? >ASN~B 179 2.73 45.21 38.62 4.51 45.04 39.78 3.62 45.12 39.20 2 0 1000.00 -999 ? >LEU~B 180 0.26 48.26 33.90 -0.31 50.09 34.98 -0.02 49.18 34.44 3 0 1000.00 -999 ? >ASP~B 181 2.49 43.23 32.55 3.66 43.79 34.23 3.08 43.51 33.39 2 0 1000.00 -999 ? >ALA~B 182 -0.77 41.84 35.26 -0.47 41.93 36.75 -0.62 41.89 36.00 2 0 1000.00 -999 ? >TYR~B 183 -4.14 44.93 36.24 -3.67 45.06 38.95 -3.90 44.99 37.60 3 0 1000.00 -999 ? >ASP~B 184 -2.26 43.25 29.73 -2.41 43.82 27.68 -2.34 43.54 28.71 2 0 1000.00 -999 ? >GLU.B 185 -6.69 38.31 30.30 -6.00 36.74 31.55 -6.34 37.52 30.93 2 0 1000.00 -999 ? >THR.B 186 -10.29 41.38 29.41 -11.67 41.47 27.80 -10.98 41.43 28.60 2 0 1000.00 -999 ? >GLY.B 187 -12.09 41.10 32.73 -11.36 41.37 32.73 -11.73 41.24 32.73 1 0 1000.00 -999 ? >LYS.B 188 -9.17 42.05 35.03 -5.77 37.90 35.98 -7.47 39.98 35.50 2 0 1000.00 -999 ? >LEU^B 189 -11.22 44.05 38.89 -12.47 45.30 40.21 -11.85 44.67 39.55 3 0 1000.00 -999 ? >TYR^B 190 -6.05 48.86 37.90 -3.69 49.88 38.99 -4.87 49.37 38.45 3 0 1000.00 -999 ? >THR^B 191 -8.32 48.98 41.99 -9.48 48.12 43.62 -8.90 48.55 42.80 2 0 1000.00 -999 ? >PHE.B 192 -6.73 53.86 40.93 -6.52 54.40 38.20 -6.62 54.13 39.57 3 0 1000.00 -999 ? >ALA.B 193 -4.89 52.80 46.14 -3.46 53.24 46.49 -4.18 53.02 46.31 2 0 1000.00 -999 ? >THR.B 194 -7.35 54.67 48.33 -8.67 54.17 49.94 -8.01 54.42 49.13 2 0 1000.00 -999 ? >ARG^B 195 -4.19 58.90 45.91 -2.49 61.39 45.35 -3.34 60.15 45.63 2 0 1000.00 -999 ? >ASP^B 196 -6.59 60.43 52.38 -7.51 61.55 53.86 -7.05 60.99 53.12 2 0 1000.00 -999 ? >TYR.B 197 -8.05 64.01 47.83 -7.28 62.51 45.60 -7.66 63.26 46.72 3 0 1000.00 -999 ? >THR.B 198 -7.74 65.99 53.80 -7.75 65.11 55.77 -7.75 65.55 54.78 2 0 1000.00 -999 ? >ASP.B 199 -3.44 67.93 53.44 -3.44 67.45 55.50 -3.44 67.69 54.47 2 0 1000.00 -999 ? >ASN~B 200 -6.13 67.99 48.33 -6.13 68.55 46.26 -6.13 68.27 47.30 2 0 1000.00 -999 ? >SER~B 201 -7.24 72.63 49.31 -5.98 74.40 48.28 -6.61 73.51 48.79 2 0 1000.00 -999 ? >MET?B 202 -8.68 72.30 45.76 -8.66 74.66 42.94 -8.67 73.48 44.35 2 0 1000.00 -999 ? >PHE~B 203 -10.79 66.72 47.86 -12.44 64.68 48.72 -11.61 65.70 48.29 3 0 1000.00 -999 ? >GLN~B 204 -10.13 70.27 51.98 -11.36 68.70 52.76 -10.75 69.49 52.37 2 0 1000.00 -999 ? >THR~B 205 -13.03 73.73 47.99 -12.08 75.52 47.24 -12.56 74.63 47.61 2 0 1000.00 -999 ? >ALA~B 206 -14.76 71.30 45.59 -14.10 70.13 44.82 -14.43 70.71 45.20 2 0 1000.00 -999 ? >LEU~B 207 -16.04 69.20 49.77 -15.44 67.08 49.80 -15.74 68.14 49.79 3 0 1000.00 -999 ? >LYS~B 208 -17.68 73.38 49.69 -13.10 75.87 53.15 -15.39 74.63 51.42 2 0 1000.00 -999 ? >ARG~B 209 -16.11 75.60 43.67 -15.79 78.62 43.20 -15.95 77.11 43.43 2 0 1000.00 -999 ? >GLY~B 210 -20.74 70.92 46.12 -20.21 71.15 45.55 -20.47 71.03 45.83 1 0 1000.00 -999 ? >THR.B 211 -19.21 70.00 42.73 -19.35 72.02 41.93 -19.28 71.01 42.33 2 0 1000.00 -999 ? >LEU^B 212 -16.30 66.46 43.62 -14.29 65.74 44.00 -15.29 66.10 43.81 3 0 1000.00 -999 ? >PHE^B 213 -17.79 66.57 37.62 -20.15 68.01 37.38 -18.97 67.29 37.50 3 0 1000.00 -999 ? >GLY^B 214 -14.07 62.21 38.35 -14.65 62.29 37.78 -14.36 62.25 38.06 1 0 1000.00 -999 ? >ARG^B 215 -13.05 61.57 31.75 -13.41 61.86 28.74 -13.23 61.71 30.24 2 0 1000.00 -999 ? >ILE^B 216 -11.10 55.79 35.32 -11.04 54.63 36.21 -11.07 55.21 35.77 3 0 1000.00 -999 ? >CYH^B 217 -8.08 56.68 32.00 -6.32 57.91 30.11 -7.20 57.30 31.06 2 0 1000.00 -999 ? >ILE^B 218 -6.84 52.47 29.88 -7.08 51.05 29.85 -6.96 51.76 29.87 3 0 1000.00 -999 ? >TRP^B 219 -1.02 56.55 26.58 -2.27 60.24 26.88 -1.65 58.39 26.73 3 0 1000.00 -999 ? >PRO^B 220 -4.62 52.77 24.83 -2.76 52.82 26.13 -3.69 52.80 25.48 3 0 1000.00 -999 ? >LYS.B 221 1.16 51.62 24.85 4.44 47.37 28.10 2.80 49.49 26.48 2 0 1000.00 -999 ? >GLY.B 222 1.75 53.17 21.46 1.25 53.56 21.98 1.50 53.37 21.72 1 0 1000.00 -999 ? >SER.B 223 -1.19 55.55 21.67 -3.50 56.14 22.11 -2.34 55.85 21.89 2 0 1000.00 -999 ? >ASP.B 224 -0.98 60.20 20.14 -2.93 60.64 19.42 -1.95 60.42 19.78 2 0 1000.00 -999 ? >GLN.B 225 -5.24 61.35 21.90 -5.24 62.92 23.31 -5.24 62.13 22.61 2 0 1000.00 -999 ? >GLY.B 226 -5.96 58.11 26.55 -6.26 58.35 25.86 -6.11 58.23 26.21 1 0 1000.00 -999 ? >ILE^B 227 -9.42 54.78 25.86 -10.15 54.38 25.56 -9.78 54.58 25.71 3 0 1000.00 -999 ? >TYR^B 228 -10.59 59.45 29.15 -8.35 61.11 28.81 -9.47 60.28 28.98 3 0 1000.00 -999 ? >SER.B 229 -14.48 56.24 31.45 -14.21 57.27 33.66 -14.34 56.75 32.56 2 0 1000.00 -999 ? >LYS.B 230 -17.56 58.50 31.34 -22.42 55.15 29.10 -19.99 56.82 30.22 2 0 1000.00 -999 ? >VAL.B 231 -17.37 61.39 33.70 -17.08 63.52 33.52 -17.23 62.46 33.61 3 0 1000.00 -999 ? >ILE^B 232 -17.98 59.33 37.93 -17.82 58.05 38.39 -17.90 58.69 38.16 3 0 1000.00 -999 ? >ARG^B 233 -22.46 66.14 39.77 -23.53 68.87 40.67 -23.00 67.50 40.22 2 0 1000.00 -999 ? >LEU^B 234 -17.46 62.29 43.30 -16.25 60.56 43.03 -16.86 61.42 43.16 3 0 1000.00 -999 ? >LYS^B 235 -20.63 65.22 44.61 -19.98 68.55 49.82 -20.31 66.88 47.22 2 0 1000.00 -999 ?