REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 23-APR-08 3CWX COMPND PROTEIN CAGD; COMPND 3 CHAIN: A, B, C; COMPND 4 FRAGMENT: CAGD; COMPND 5 SYNONYM: HP0525, CAG24; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 210; SOURCE 4 STRAIN: CCUG 17874; SOURCE 5 GENE: CAGD; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28B-CAGD AUTHOR L.CENDRON,G.ZANOTTI,ANGELINI A.,BARISON N.,M.COUTURIER, AUTHOR 2 M.STEIN HET MSE A 79 8 HET MSE A 91 8 HET MSE A 140 8 HET MSE B 79 8 HET MSE B 91 8 HET MSE B 140 8 HET MSE C 79 8 HET MSE C 91 8 HET MSE C 140 8 SSBOND 1 CYS A 120 CYS A 133 1555 1555 2.04 SSBOND 2 CYS A 172 CYS B 172 1555 1555 2.04 SSBOND 3 CYS B 120 CYS B 133 1555 1555 2.06 SSBOND 4 CYS C 120 CYS C 133 1555 1555 2.04 >GLU.A 47 -7.09 -37.39 9.82 -5.87 -35.79 10.47 -6.48 -36.59 10.15 2 0 1000.00 -999 ? >VAL.A 48 -7.60 -41.36 12.55 -6.84 -41.22 14.59 -7.22 -41.29 13.57 3 0 1000.00 -999 ? >ASN.A 49 -6.84 -44.90 9.49 -5.28 -43.48 9.13 -6.06 -44.19 9.31 2 0 1000.00 -999 ? >PRO.A 50 -9.76 -46.59 14.11 -7.71 -46.82 13.20 -8.74 -46.70 13.66 3 0 1000.00 -999 ? >ASP.A 51 -6.16 -51.76 13.19 -6.13 -53.62 14.23 -6.14 -52.69 13.71 2 0 1000.00 -999 ? >ILE.A 52 -9.82 -52.25 17.25 -10.25 -50.78 17.40 -10.03 -51.52 17.32 3 0 1000.00 -999 ? >ILE.A 53 -12.81 -54.22 13.02 -12.99 -54.42 11.65 -12.90 -54.32 12.33 3 0 1000.00 -999 ? >LYS.A 54 -12.34 -58.02 15.79 -7.09 -58.22 13.46 -9.72 -58.12 14.62 2 0 1000.00 -999 ? >ASP.A 55 -11.74 -56.29 20.16 -12.14 -55.94 22.22 -11.94 -56.12 21.19 2 0 1000.00 -999 ? >GLU.A 56 -15.56 -51.47 20.14 -15.23 -49.66 19.12 -15.39 -50.56 19.63 2 0 1000.00 -999 ? >VAL.A 57 -18.70 -53.92 18.62 -19.66 -55.52 19.72 -19.18 -54.72 19.17 3 0 1000.00 -999 ? >PHE.A 58 -18.71 -51.01 15.20 -15.97 -50.52 15.33 -17.34 -50.77 15.26 3 0 1000.00 -999 ? >ASP.A 59 -25.33 -49.76 16.24 -25.67 -49.92 18.31 -25.50 -49.84 17.28 2 0 1000.00 -999 ? >PHE.A 60 -21.36 -48.38 12.32 -20.80 -45.73 12.93 -21.08 -47.06 12.62 3 0 1000.00 -999 ? >VAL.A 61 -24.76 -52.52 9.62 -26.57 -51.79 8.63 -25.66 -52.16 9.12 3 0 1000.00 -999 ? >ILE.A 62 -21.03 -51.87 6.46 -20.72 -52.22 5.81 -20.87 -52.04 6.14 3 0 1000.00 -999 ? >VAL.A 63 -19.73 -54.18 10.32 -18.74 -53.27 12.05 -19.23 -53.73 11.18 3 0 1000.00 -999 ? >ASN.A 64 -22.99 -56.55 12.88 -22.12 -55.23 14.31 -22.56 -55.89 13.60 2 0 1000.00 -999 ? >ARG.A 65 -26.57 -57.68 7.56 -29.17 -58.42 8.99 -27.87 -58.05 8.27 2 0 1000.00 -999 ? >VAL.A 66 -19.96 -57.89 6.10 -20.11 -56.88 4.21 -20.04 -57.39 5.15 3 0 1000.00 -999 ? >LEU.A 67 -16.38 -55.69 8.48 -16.04 -54.04 7.12 -16.21 -54.86 7.80 3 0 1000.00 -999 ? >LYS.A 68 -16.80 -59.36 10.73 -18.77 -56.08 15.61 -17.78 -57.72 13.17 2 0 1000.00 -999 ? >LYS.A 69 -18.27 -62.02 8.41 -23.99 -64.22 7.01 -21.13 -63.12 7.71 2 0 1000.00 -999 ? >ILE.A 70 -14.82 -60.65 5.40 -14.73 -59.74 4.55 -14.77 -60.20 4.97 3 0 1000.00 -999 ? >LYS.A 71 -12.33 -64.41 6.39 -13.68 -69.32 4.00 -13.00 -66.86 5.20 2 0 1000.00 -999 ? >ASP~A 72 -8.11 -63.45 5.55 -6.08 -62.84 5.57 -7.10 -63.15 5.56 2 0 1000.00 -999 ? >LEU~A 73 -10.35 -57.97 7.09 -12.06 -57.06 6.11 -11.20 -57.52 6.60 3 0 1000.00 -999 ? >LYS~A 74 -6.11 -58.18 5.63 -5.71 -57.12 10.35 -5.91 -57.65 7.99 2 0 1000.00 -999 ? >HIS~A 75 -6.68 -61.58 0.38 -6.22 -62.03 -1.63 -6.45 -61.81 -0.62 3 0 1000.00 -999 ? >TYR~A 76 -10.31 -58.56 0.39 -11.16 -61.04 -0.59 -10.74 -59.80 -0.10 3 0 1000.00 -999 ? >ASP~A 77 -5.16 -53.95 1.42 -3.71 -55.33 0.75 -4.44 -54.64 1.08 2 0 1000.00 -999 ? >PRO.A 78 -8.67 -54.68 5.97 -8.37 -53.33 4.20 -8.52 -54.01 5.08 3 0 1000.00 -999 ? >MET?A 79 -8.87 -49.25 5.49 -8.73 -45.51 5.75 -8.80 -47.38 5.62 2 0 1000.00 -999 ? >ILE.A 80 -11.48 -49.46 9.36 -12.83 -50.32 9.53 -12.16 -49.89 9.45 3 0 1000.00 -999 ? >GLU.A 81 -9.72 -43.68 8.43 -9.68 -41.98 7.19 -9.70 -42.83 7.81 2 0 1000.00 -999 ? >LYS.A 82 -13.11 -43.37 12.98 -13.12 -46.28 18.50 -13.12 -44.83 15.74 2 0 1000.00 -999 ? >ILE.A 83 -16.52 -40.47 11.34 -17.27 -40.18 10.09 -16.90 -40.33 10.72 3 0 1000.00 -999 ? >PHE.A 84 -16.21 -35.65 13.43 -15.92 -33.92 11.26 -16.07 -34.79 12.35 3 0 1000.00 -999 ? >GLU.A 90 -15.55 -42.54 17.84 -16.28 -44.24 16.82 -15.91 -43.39 17.33 2 0 1000.00 -999 ? >MET?A 91 -20.17 -40.93 15.49 -19.49 -38.74 13.31 -19.83 -39.83 14.40 2 0 1000.00 -999 ? >GLY^A 92 -19.07 -42.61 12.28 -18.50 -42.83 12.78 -18.78 -42.72 12.53 1 0 1000.00 -999 ? >LEU^A 93 -17.43 -46.66 10.66 -15.94 -48.19 11.02 -16.69 -47.42 10.84 3 0 1000.00 -999 ? >ASN^A 94 -14.83 -43.42 6.63 -14.20 -43.25 4.61 -14.52 -43.34 5.62 2 0 1000.00 -999 ? >VAL^A 95 -14.48 -48.12 5.35 -15.20 -50.03 6.10 -14.84 -49.07 5.73 3 0 1000.00 -999 ? >GLU^A 96 -11.40 -47.85 0.25 -9.38 -47.64 -0.33 -10.39 -47.75 -0.04 2 0 1000.00 -999 ? >ILE^A 97 -12.73 -53.58 1.19 -13.31 -54.62 1.79 -13.02 -54.10 1.49 3 0 1000.00 -999 ? >GLN^A 98 -7.53 -52.12 -1.86 -7.59 -50.50 -3.26 -7.56 -51.31 -2.56 2 0 1000.00 -999 ? >ILE.A 99 -12.66 -55.65 -5.35 -14.21 -55.86 -5.61 -13.44 -55.75 -5.48 3 0 1000.00 -999 ? >ASN.A 100 -8.30 -56.39 -7.87 -6.90 -57.42 -9.11 -7.60 -56.90 -8.49 2 0 1000.00 -999 ? >PRO.A 101 -6.46 -58.33 -2.86 -6.20 -56.43 -4.08 -6.33 -57.38 -3.47 3 0 1000.00 -999 ? >GLU.A 102 -4.48 -58.51 -7.66 -5.72 -59.60 -6.34 -5.10 -59.06 -7.00 2 0 1000.00 -999 ? >VAL.A 103 -3.89 -53.91 -8.38 -4.04 -54.16 -10.53 -3.96 -54.03 -9.45 3 0 1000.00 -999 ? >LYS.A 104 -4.19 -50.90 -6.08 -1.19 -47.36 -3.92 -2.69 -49.13 -5.00 2 0 1000.00 -999 ? >ASP.A 105 -7.01 -47.44 -6.09 -6.58 -46.90 -4.09 -6.80 -47.17 -5.09 2 0 1000.00 -999 ? >PHE.A 106 -8.23 -52.29 -11.39 -9.05 -53.01 -13.95 -8.64 -52.65 -12.67 3 0 1000.00 -999 ? >PHE^A 107 -13.49 -53.66 -8.57 -16.19 -54.27 -8.84 -14.84 -53.96 -8.70 3 0 1000.00 -999 ? >THR^A 108 -12.78 -50.80 -4.46 -11.73 -48.89 -4.58 -12.25 -49.84 -4.52 2 0 1000.00 -999 ? >PHE^A 109 -17.53 -52.05 -0.66 -19.80 -51.67 0.93 -18.66 -51.86 0.13 3 0 1000.00 -999 ? >LYS^A 110 -16.36 -47.93 0.09 -13.65 -44.81 -3.00 -15.01 -46.37 -1.46 2 0 1000.00 -999 ? >SER^A 111 -18.76 -47.39 2.96 -20.24 -48.56 4.50 -19.50 -47.98 3.73 2 0 1000.00 -999 ? >ILE^A 112 -19.52 -42.70 4.16 -18.33 -42.35 4.20 -18.93 -42.53 4.18 3 0 1000.00 -999 ? >SER^A 113 -21.26 -44.87 7.91 -21.94 -47.21 8.09 -21.60 -46.04 8.00 2 0 1000.00 -999 ? >THR^A 114 -22.77 -42.29 10.25 -23.73 -40.94 8.84 -23.25 -41.62 9.54 2 0 1000.00 -999 ? >THR.A 115 -24.92 -42.32 13.38 -25.19 -40.94 15.02 -25.05 -41.63 14.20 2 0 1000.00 -999 ? >ASN.A 116 -29.38 -42.63 11.95 -30.69 -43.68 13.26 -30.03 -43.15 12.61 2 0 1000.00 -999 ? >LYS.A 117 -27.16 -43.43 7.90 -28.02 -39.51 4.55 -27.59 -41.47 6.23 2 0 1000.00 -999 ? >GLN^A 118 -23.62 -47.66 5.66 -23.55 -49.63 4.88 -23.59 -48.65 5.27 2 0 1000.00 -999 ? >ARG^A 119 -24.60 -41.16 1.18 -25.10 -39.48 -1.29 -24.85 -40.32 -0.06 2 0 1000.00 -999 ? >CSS^A 120 -22.23 -47.54 -0.15 -23.38 -49.42 1.65 -22.80 -48.48 0.75 2 0 1000.00 -999 ? >PHE^A 121 -20.06 -44.65 -2.61 -21.49 -42.49 -1.56 -20.77 -43.57 -2.08 3 0 1000.00 -999 ? >LEU^A 122 -19.25 -50.35 -6.76 -19.68 -52.44 -6.32 -19.46 -51.39 -6.54 3 0 1000.00 -999 ? >SER^A 123 -15.43 -47.88 -7.59 -13.98 -45.97 -7.45 -14.70 -46.93 -7.52 2 0 1000.00 -999 ? >LEU^A 124 -14.78 -50.17 -11.58 -14.27 -51.85 -12.89 -14.52 -51.01 -12.23 3 0 1000.00 -999 ? >ARG.A 125 -10.16 -49.56 -15.72 -11.46 -48.78 -18.35 -10.81 -49.17 -17.04 2 0 1000.00 -999 ? >GLY.A 126 -11.43 -44.39 -10.68 -12.07 -44.86 -10.85 -11.75 -44.63 -10.77 1 0 1000.00 -999 ? >GLU^A 127 -17.26 -44.91 -12.73 -18.45 -44.10 -14.30 -17.85 -44.50 -13.52 2 0 1000.00 -999 ? >THR^A 128 -17.29 -44.29 -8.33 -16.73 -43.65 -6.35 -17.01 -43.97 -7.34 2 0 1000.00 -999 ? >ARG^A 129 -21.55 -46.72 -11.85 -21.70 -47.17 -14.80 -21.62 -46.95 -13.33 2 0 1000.00 -999 ? >GLU^A 130 -24.88 -44.49 -3.59 -25.48 -42.73 -2.60 -25.18 -43.61 -3.10 2 0 1000.00 -999 ? >ILE^A 131 -24.67 -49.78 -4.96 -24.40 -51.08 -4.93 -24.53 -50.43 -4.94 3 0 1000.00 -999 ? >LEU.A 132 -29.62 -49.57 -2.84 -31.47 -49.57 -1.68 -30.54 -49.57 -2.26 3 0 1000.00 -999 ? >CSS.A 133 -26.99 -50.60 0.96 -25.21 -48.57 1.94 -26.10 -49.59 1.45 2 0 1000.00 -999 ? >ASP~A 134 -30.28 -53.65 0.38 -29.73 -54.38 -1.52 -30.01 -54.02 -0.57 2 0 1000.00 -999 ? >ASN~A 135 -30.10 -58.41 2.37 -30.75 -58.09 4.39 -30.42 -58.25 3.38 2 0 1000.00 -999 ? >LYS~A 136 -28.40 -58.30 -1.75 -32.28 -57.37 -6.22 -30.34 -57.83 -3.98 2 0 1000.00 -999 ? >LEU~A 137 -25.25 -54.68 -1.49 -23.67 -53.25 -1.82 -24.46 -53.97 -1.65 3 0 1000.00 -999 ? >TYR~A 138 -25.23 -56.04 3.45 -25.95 -53.50 4.28 -25.59 -54.77 3.87 3 0 1000.00 -999 ? >ASN~A 139 -25.62 -61.62 0.13 -26.88 -61.90 1.84 -26.25 -61.76 0.98 2 0 1000.00 -999 ? >MET?A 140 -22.73 -60.42 -2.87 -22.10 -60.56 -6.30 -22.41 -60.49 -4.59 2 0 1000.00 -999 ? >LEU~A 141 -19.97 -57.46 -0.15 -19.86 -55.36 -0.66 -19.91 -56.41 -0.40 3 0 1000.00 -999 ? >LEU~A 142 -20.40 -62.19 2.16 -20.52 -61.46 4.22 -20.46 -61.83 3.19 3 0 1000.00 -999 ? >ALA~A 143 -19.54 -63.99 -1.92 -20.60 -63.99 -3.01 -20.07 -63.99 -2.47 2 0 1000.00 -999 ? >VAL~A 144 -16.72 -61.94 -3.37 -16.66 -60.12 -4.60 -16.69 -61.03 -3.99 3 0 1000.00 -999 ? >PHE~A 145 -14.62 -59.10 0.25 -14.72 -56.51 -0.69 -14.67 -57.80 -0.22 3 0 1000.00 -999 ? >ASN~A 146 -16.44 -65.35 1.89 -16.60 -64.49 3.82 -16.52 -64.92 2.85 2 0 1000.00 -999 ? >SER.A 147 -14.38 -66.53 -2.21 -14.67 -64.94 -4.04 -14.52 -65.74 -3.13 2 0 1000.00 -999 ? >TYR.A 148 -8.27 -65.25 -2.09 -5.60 -65.73 -2.63 -6.94 -65.49 -2.36 3 0 1000.00 -999 ? >ASP.A 149 -10.01 -70.79 -2.37 -9.33 -72.79 -2.14 -9.67 -71.79 -2.26 2 0 1000.00 -999 ? >PRO.A 150 -4.83 -69.66 -1.33 -6.06 -70.07 -3.18 -5.45 -69.87 -2.25 3 0 1000.00 -999 ? >ASN.A 151 -6.68 -74.91 -3.83 -5.10 -75.00 -2.39 -5.89 -74.95 -3.11 2 0 1000.00 -999 ? >ASP~A 152 -10.56 -72.86 -6.34 -12.01 -73.38 -7.80 -11.28 -73.12 -7.07 2 0 1000.00 -999 ? >LEU~A 153 -7.07 -68.37 -8.72 -5.59 -67.66 -7.28 -6.33 -68.02 -8.00 3 0 1000.00 -999 ? >LEU~A 154 -10.97 -70.32 -12.06 -12.15 -70.43 -13.89 -11.56 -70.37 -12.98 3 0 1000.00 -999 ? >LYS~A 155 -13.80 -69.15 -8.72 -18.38 -71.50 -7.22 -16.09 -70.33 -7.97 2 0 1000.00 -999 ? >HIS~A 156 -11.24 -64.26 -5.84 -11.27 -62.39 -4.90 -11.26 -63.33 -5.37 3 0 1000.00 -999 ? >ILE~A 157 -11.38 -65.33 -11.79 -10.37 -64.49 -12.36 -10.88 -64.91 -12.07 3 0 1000.00 -999 ? >SER~A 158 -15.60 -65.18 -11.59 -16.14 -67.10 -12.98 -15.87 -66.14 -12.28 2 0 1000.00 -999 ? >THR~A 159 -17.41 -63.83 -8.50 -16.84 -64.82 -6.66 -17.12 -64.33 -7.58 2 0 1000.00 -999 ? >VAL~A 160 -15.36 -60.65 -8.82 -13.37 -59.88 -8.43 -14.36 -60.26 -8.62 3 0 1000.00 -999 ? >GLU~A 161 -16.74 -61.05 -14.88 -15.69 -59.34 -15.48 -16.22 -60.19 -15.18 2 0 1000.00 -999 ? >SER~A 162 -20.13 -60.83 -10.90 -21.29 -62.87 -10.34 -20.71 -61.85 -10.62 2 0 1000.00 -999 ? >LEU~A 163 -18.67 -57.55 -7.76 -19.11 -56.29 -6.04 -18.89 -56.92 -6.90 3 0 1000.00 -999 ? >LYS~A 164 -18.27 -55.77 -11.94 -12.52 -56.22 -13.30 -15.39 -55.99 -12.62 2 0 1000.00 -999 ? >LYS~A 165 -21.52 -56.60 -13.73 -25.63 -60.13 -16.53 -23.57 -58.37 -15.13 2 0 1000.00 -999 ? >ILE~A 166 -23.37 -55.55 -9.34 -23.71 -56.09 -8.47 -23.54 -55.82 -8.90 3 0 1000.00 -999 ? >PHE~A 167 -19.06 -50.65 -11.33 -17.96 -48.13 -11.78 -18.51 -49.39 -11.56 3 0 1000.00 -999 ? >TYR~A 168 -19.86 -52.29 -16.08 -17.11 -52.05 -16.43 -18.48 -52.17 -16.25 3 0 1000.00 -999 ? >THR~A 169 -25.63 -52.20 -14.22 -26.70 -54.03 -13.74 -26.17 -53.12 -13.98 2 0 1000.00 -999 ? >ILE~A 170 -25.28 -49.13 -10.48 -24.70 -48.79 -9.19 -24.99 -48.96 -9.84 3 0 1000.00 -999 ? >THR^A 171 -28.73 -46.85 -12.38 -30.03 -47.65 -13.92 -29.38 -47.25 -13.15 2 0 1000.00 -999 ? >CSS^A 172 -29.84 -44.06 -10.06 -27.31 -43.62 -8.94 -28.58 -43.84 -9.50 2 0 1000.00 -999 ? >GLU^A 173 -33.32 -44.94 -12.78 -34.09 -46.34 -14.15 -33.71 -45.64 -13.47 2 0 1000.00 -999 ? >ALA.A 174 -36.47 -41.65 -9.34 -36.30 -40.15 -9.52 -36.39 -40.90 -9.43 2 0 1000.00 -999 ? >VAL.A 175 -40.22 -42.08 -9.59 -41.42 -43.49 -8.43 -40.82 -42.79 -9.01 3 0 1000.00 -999 ? >TYR.A 176 -39.52 -38.63 -13.27 -36.86 -37.81 -13.36 -38.19 -38.22 -13.32 3 0 1000.00 -999 ? >GLU.B 47 -8.57 -24.73 -14.60 -8.14 -26.60 -13.72 -8.35 -25.66 -14.16 2 0 1000.00 -999 ? >VAL.B 48 -12.20 -21.83 -17.33 -11.00 -21.61 -19.12 -11.60 -21.72 -18.22 3 0 1000.00 -999 ? >ASN.B 49 -16.29 -20.56 -15.68 -14.76 -20.41 -14.21 -15.53 -20.49 -14.94 2 0 1000.00 -999 ? >PRO.B 50 -18.39 -21.18 -20.43 -17.38 -19.42 -19.49 -17.88 -20.30 -19.96 3 0 1000.00 -999 ? >ASP.B 51 -21.14 -16.36 -18.84 -20.13 -14.93 -20.00 -20.64 -15.64 -19.42 2 0 1000.00 -999 ? >ILE.B 52 -22.78 -16.15 -23.89 -22.25 -14.75 -24.23 -22.52 -15.45 -24.06 3 0 1000.00 -999 ? >ILE.B 53 -25.36 -21.38 -22.42 -25.17 -22.11 -22.04 -25.26 -21.74 -22.23 3 0 1000.00 -999 ? >LYS.B 54 -26.40 -18.67 -26.28 -24.98 -14.86 -28.32 -25.69 -16.77 -27.30 2 0 1000.00 -999 ? >ASP.B 55 -21.99 -17.08 -27.62 -20.35 -16.87 -28.95 -21.17 -16.98 -28.29 2 0 1000.00 -999 ? >GLU.B 56 -18.99 -20.73 -27.67 -17.41 -21.77 -26.72 -18.20 -21.25 -27.20 2 0 1000.00 -999 ? >VAL.B 57 -22.75 -24.15 -30.29 -23.49 -24.47 -32.31 -23.12 -24.31 -31.30 3 0 1000.00 -999 ? >PHE.B 58 -22.00 -25.93 -26.28 -21.06 -23.60 -25.05 -21.53 -24.76 -25.66 3 0 1000.00 -999 ? >ASP.B 59 -21.37 -32.04 -29.45 -21.97 -32.94 -31.27 -21.67 -32.49 -30.36 2 0 1000.00 -999 ? >PHE~B 60 -20.93 -30.51 -24.07 -18.18 -30.83 -24.01 -19.56 -30.67 -24.04 3 0 1000.00 -999 ? >VAL~B 61 -26.47 -32.83 -24.68 -26.07 -34.90 -24.18 -26.27 -33.87 -24.43 3 0 1000.00 -999 ? >ILE~B 62 -26.50 -31.18 -20.07 -26.76 -31.03 -19.28 -26.63 -31.11 -19.68 3 0 1000.00 -999 ? >VAL~B 63 -26.57 -27.90 -23.33 -24.85 -26.83 -24.15 -25.71 -27.37 -23.74 3 0 1000.00 -999 ? >ASN~B 64 -28.64 -29.30 -27.41 -26.63 -28.91 -28.04 -27.64 -29.11 -27.73 2 0 1000.00 -999 ? >ARG~B 65 -31.74 -33.75 -25.48 -34.41 -34.95 -24.56 -33.07 -34.35 -25.02 2 0 1000.00 -999 ? >VAL~B 66 -31.81 -28.11 -21.22 -31.82 -28.90 -19.17 -31.82 -28.51 -20.20 3 0 1000.00 -999 ? >LEU~B 67 -27.94 -25.28 -20.73 -27.01 -25.82 -18.84 -27.48 -25.55 -19.78 3 0 1000.00 -999 ? >LYS~B 68 -30.24 -23.53 -24.17 -25.74 -24.63 -28.33 -27.99 -24.08 -26.25 2 0 1000.00 -999 ? >LYS~B 69 -33.99 -23.91 -23.65 -36.20 -28.94 -26.46 -35.10 -26.42 -25.06 2 0 1000.00 -999 ? >ILE~B 70 -33.01 -22.26 -19.18 -32.56 -22.58 -17.80 -32.79 -22.42 -18.49 3 0 1000.00 -999 ? >LYS.B 71 -35.58 -18.63 -20.86 -41.03 -19.38 -19.15 -38.31 -19.00 -20.00 2 0 1000.00 -999 ? >ASP~B 72 -34.97 -16.08 -16.86 -34.00 -14.45 -15.92 -34.48 -15.27 -16.39 2 0 1000.00 -999 ? >LEU~B 73 -29.81 -19.01 -18.57 -28.66 -20.84 -18.33 -29.24 -19.93 -18.45 3 0 1000.00 -999 ? >LYS~B 74 -29.25 -15.85 -15.57 -25.14 -13.29 -16.75 -27.20 -14.57 -16.16 2 0 1000.00 -999 ? >HIS~B 75 -34.00 -16.29 -11.63 -34.90 -16.39 -9.74 -34.45 -16.34 -10.69 3 0 1000.00 -999 ? >TYR~B 76 -32.42 -20.60 -12.50 -35.18 -20.69 -12.95 -33.80 -20.65 -12.72 3 0 1000.00 -999 ? >ASP~B 77 -26.66 -18.09 -9.43 -27.15 -16.22 -8.60 -26.90 -17.16 -9.01 2 0 1000.00 -999 ? >PRO.B 78 -25.87 -19.15 -15.05 -25.56 -20.05 -13.05 -25.71 -19.60 -14.05 3 0 1000.00 -999 ? >MET?B 79 -21.65 -21.81 -12.69 -18.66 -22.94 -11.97 -20.15 -22.37 -12.33 2 0 1000.00 -999 ? >ILE.B 80 -21.23 -22.75 -17.29 -22.14 -22.84 -18.34 -21.68 -22.80 -17.82 3 0 1000.00 -999 ? >GLU.B 81 -15.79 -23.71 -14.26 -15.00 -24.60 -12.53 -15.39 -24.16 -13.40 2 0 1000.00 -999 ? >LYS.B 82 -15.03 -25.71 -19.58 -16.20 -23.08 -25.08 -15.61 -24.40 -22.33 2 0 1000.00 -999 ? >ILE.B 83 -13.55 -30.06 -18.66 -13.72 -31.11 -17.55 -13.64 -30.58 -18.10 3 0 1000.00 -999 ? >PHE.B 84 -8.30 -30.60 -18.42 -7.77 -30.33 -15.71 -8.04 -30.47 -17.07 3 0 1000.00 -999 ? >GLU.B 90 -14.44 -27.41 -25.97 -14.90 -25.89 -27.36 -14.67 -26.65 -26.67 2 0 1000.00 -999 ? >MET?B 91 -13.30 -31.92 -23.82 -11.86 -33.45 -20.62 -12.58 -32.68 -22.22 2 0 1000.00 -999 ? >GLY^B 92 -15.99 -31.43 -21.22 -15.76 -30.70 -21.42 -15.88 -31.07 -21.32 1 0 1000.00 -999 ? >LEU^B 93 -19.67 -28.78 -20.26 -20.45 -26.76 -20.65 -20.06 -27.77 -20.45 3 0 1000.00 -999 ? >ASN^B 94 -17.84 -28.56 -14.71 -18.30 -29.03 -12.67 -18.07 -28.79 -13.69 2 0 1000.00 -999 ? >VAL^B 95 -22.38 -27.14 -15.01 -23.85 -26.79 -16.60 -23.12 -26.96 -15.81 3 0 1000.00 -999 ? >GLU^B 96 -23.91 -25.69 -9.27 -22.80 -25.81 -7.48 -23.35 -25.75 -8.38 2 0 1000.00 -999 ? >ILE^B 97 -28.41 -24.68 -12.48 -28.54 -23.56 -13.35 -28.47 -24.12 -12.92 3 0 1000.00 -999 ? >GLN^B 98 -27.22 -21.34 -7.47 -26.46 -22.46 -5.82 -26.84 -21.90 -6.64 2 0 1000.00 -999 ? >ILE.B 99 -33.10 -25.58 -7.79 -33.61 -26.83 -7.98 -33.36 -26.20 -7.89 3 0 1000.00 -999 ? >ASN.B 100 -33.53 -22.37 -3.93 -35.38 -21.84 -3.05 -34.46 -22.11 -3.49 2 0 1000.00 -999 ? >PRO.B 101 -32.37 -18.54 -8.06 -31.57 -19.19 -6.05 -31.97 -18.86 -7.06 3 0 1000.00 -999 ? >GLU.B 102 -34.74 -17.20 -3.88 -34.36 -15.47 -4.98 -34.55 -16.34 -4.43 2 0 1000.00 -999 ? >VAL.B 103 -30.57 -19.47 -0.76 -31.75 -20.30 0.87 -31.16 -19.88 0.05 3 0 1000.00 -999 ? >LYS.B 104 -27.12 -20.19 -2.15 -21.79 -20.20 -2.85 -24.46 -20.20 -2.50 2 0 1000.00 -999 ? >ASP.B 105 -24.91 -23.97 -1.94 -23.25 -23.64 -3.25 -24.08 -23.81 -2.60 2 0 1000.00 -999 ? >PHE.B 106 -31.70 -24.75 0.44 -33.48 -25.92 2.19 -32.59 -25.33 1.32 3 0 1000.00 -999 ? >PHE^B 107 -33.05 -28.03 -4.59 -34.29 -30.22 -5.78 -33.67 -29.13 -5.19 3 0 1000.00 -999 ? >THR^B 108 -28.70 -27.38 -6.91 -26.72 -27.07 -6.06 -27.71 -27.22 -6.48 2 0 1000.00 -999 ? >PHE^B 109 -29.08 -29.96 -12.48 -28.56 -31.42 -14.75 -28.82 -30.69 -13.61 3 0 1000.00 -999 ? >LYS^B 110 -24.89 -30.41 -11.22 -21.92 -30.54 -5.67 -23.41 -30.47 -8.44 2 0 1000.00 -999 ? >SER^B 111 -23.86 -31.86 -14.57 -24.71 -32.22 -16.86 -24.29 -32.04 -15.72 2 0 1000.00 -999 ? >ILE^B 112 -19.62 -34.19 -14.70 -19.08 -33.37 -14.09 -19.35 -33.78 -14.39 3 0 1000.00 -999 ? >SER^B 113 -20.03 -33.72 -19.31 -22.18 -32.71 -19.87 -21.11 -33.21 -19.59 2 0 1000.00 -999 ? >THR^B 114 -16.97 -35.24 -21.00 -16.09 -36.30 -19.33 -16.53 -35.77 -20.16 2 0 1000.00 -999 ? >THR.B 115 -16.72 -36.26 -24.68 -15.03 -37.21 -25.68 -15.88 -36.73 -25.18 2 0 1000.00 -999 ? >ASN.B 116 -18.96 -40.30 -25.57 -18.46 -39.78 -27.56 -18.71 -40.04 -26.56 2 0 1000.00 -999 ? >LYS^B 117 -20.38 -39.10 -21.16 -19.98 -42.48 -16.91 -20.18 -40.79 -19.03 2 0 1000.00 -999 ? >GLN^B 118 -24.61 -35.63 -18.44 -25.99 -34.32 -19.36 -25.30 -34.98 -18.90 2 0 1000.00 -999 ? >ARG^B 119 -20.50 -39.75 -13.87 -19.98 -41.35 -11.29 -20.24 -40.55 -12.58 2 0 1000.00 -999 ? >CSS^B 120 -26.18 -35.46 -13.52 -27.37 -35.33 -16.11 -26.77 -35.39 -14.82 2 0 1000.00 -999 ? >PHE^B 121 -24.23 -35.51 -9.48 -22.20 -37.18 -10.38 -23.21 -36.35 -9.93 3 0 1000.00 -999 ? >LEU^B 122 -30.66 -33.49 -7.51 -32.22 -32.89 -8.89 -31.44 -33.19 -8.20 3 0 1000.00 -999 ? >SER^B 123 -27.93 -31.58 -4.26 -25.65 -31.55 -3.52 -26.79 -31.56 -3.89 2 0 1000.00 -999 ? >LEU^B 124 -31.55 -31.44 -1.28 -33.49 -30.52 -0.84 -32.52 -30.98 -1.06 3 0 1000.00 -999 ? >ARG.B 125 -31.63 -28.86 4.40 -32.58 -31.21 6.14 -32.10 -30.04 5.27 2 0 1000.00 -999 ? >GLY.B 126 -25.32 -30.45 0.98 -25.96 -30.90 0.80 -25.64 -30.67 0.89 1 0 1000.00 -999 ? >GLU^B 127 -27.90 -36.09 0.57 -29.48 -37.00 1.62 -28.69 -36.54 1.09 2 0 1000.00 -999 ? >THR^B 128 -25.65 -34.87 -3.36 -23.99 -33.88 -4.36 -24.82 -34.37 -3.86 2 0 1000.00 -999 ? >ARG^B 129 -30.51 -38.38 -3.04 -32.30 -39.66 -0.94 -31.41 -39.02 -1.99 2 0 1000.00 -999 ? >GLU^B 130 -25.57 -40.08 -10.76 -23.76 -41.07 -11.33 -24.66 -40.58 -11.05 2 0 1000.00 -999 ? >ILE^B 131 -30.73 -38.02 -10.95 -31.80 -37.12 -11.58 -31.26 -37.57 -11.26 3 0 1000.00 -999 ? >LEU.B 132 -30.99 -41.93 -14.80 -30.83 -43.31 -16.48 -30.91 -42.62 -15.64 3 0 1000.00 -999 ? >CSS.B 133 -29.67 -38.21 -17.30 -27.02 -37.23 -16.83 -28.34 -37.72 -17.06 2 0 1000.00 -999 ? >ASP~B 134 -33.50 -40.42 -18.92 -34.70 -40.19 -17.20 -34.10 -40.30 -18.06 2 0 1000.00 -999 ? >ASN~B 135 -36.61 -38.00 -22.16 -35.69 -38.19 -24.09 -36.15 -38.10 -23.13 2 0 1000.00 -999 ? >LYS~B 136 -37.74 -37.59 -17.84 -40.31 -42.64 -15.35 -39.03 -40.11 -16.59 2 0 1000.00 -999 ? >LEU~B 137 -33.47 -36.06 -16.06 -32.18 -35.07 -14.62 -32.82 -35.56 -15.34 3 0 1000.00 -999 ? >TYR~B 138 -32.90 -33.92 -20.50 -30.29 -34.87 -20.57 -31.60 -34.40 -20.53 3 0 1000.00 -999 ? >ASN~B 139 -39.54 -33.53 -19.30 -39.24 -34.19 -21.31 -39.39 -33.86 -20.31 2 0 1000.00 -999 ? >MET?B 140 -38.68 -31.97 -15.15 -40.34 -32.10 -12.29 -39.51 -32.04 -13.72 2 0 1000.00 -999 ? >LEU~B 141 -34.34 -29.83 -15.51 -32.72 -30.69 -14.34 -33.53 -30.26 -14.92 3 0 1000.00 -999 ? >LEU~B 142 -37.44 -27.84 -19.37 -36.13 -27.49 -21.06 -36.78 -27.67 -20.22 3 0 1000.00 -999 ? >ALA~B 143 -40.51 -27.35 -16.18 -41.31 -28.60 -15.82 -40.91 -27.98 -16.00 2 0 1000.00 -999 ? >VAL~B 144 -38.69 -26.08 -13.10 -37.70 -26.93 -11.35 -38.19 -26.51 -12.23 3 0 1000.00 -999 ? >PHE~B 145 -34.11 -24.38 -14.57 -32.26 -25.89 -13.13 -33.18 -25.13 -13.85 3 0 1000.00 -999 ? >ASN~B 146 -39.36 -22.82 -18.53 -37.62 -22.51 -19.76 -38.49 -22.66 -19.14 2 0 1000.00 -999 ? >SER~B 147 -42.06 -22.10 -14.70 -41.51 -23.25 -12.65 -41.78 -22.67 -13.67 2 0 1000.00 -999 ? >TYR.B 148 -38.58 -17.46 -12.55 -37.93 -15.03 -11.38 -38.26 -16.25 -11.96 3 0 1000.00 -999 ? >ASP.B 149 -43.97 -16.25 -13.93 -45.20 -14.60 -14.52 -44.59 -15.43 -14.22 2 0 1000.00 -999 ? >PRO.B 150 -40.21 -12.31 -12.82 -41.84 -13.42 -11.72 -41.02 -12.86 -12.27 3 0 1000.00 -999 ? >ASN.B 151 -45.88 -11.15 -12.92 -44.67 -9.45 -13.27 -45.28 -10.30 -13.10 2 0 1000.00 -999 ? >ASP.B 152 -48.00 -15.66 -11.38 -48.75 -17.41 -10.48 -48.37 -16.53 -10.93 2 0 1000.00 -999 ? >LEU~B 153 -43.46 -16.87 -7.76 -41.67 -15.78 -8.30 -42.56 -16.32 -8.03 3 0 1000.00 -999 ? >LEU~B 154 -48.38 -19.94 -7.09 -49.73 -20.15 -5.40 -49.06 -20.05 -6.24 3 0 1000.00 -999 ? >LYS~B 155 -46.55 -22.37 -10.32 -46.54 -24.51 -14.72 -46.54 -23.44 -12.52 2 0 1000.00 -999 ? >HIS~B 156 -40.51 -21.09 -9.95 -38.46 -21.53 -10.04 -39.48 -21.31 -9.99 3 0 1000.00 -999 ? >ILE~B 157 -43.54 -21.88 -5.09 -43.71 -21.01 -3.94 -43.63 -21.44 -4.52 3 0 1000.00 -999 ? >SER~B 158 -44.85 -25.87 -6.69 -46.81 -27.19 -7.09 -45.83 -26.53 -6.89 2 0 1000.00 -999 ? >THR~B 159 -42.72 -27.35 -9.48 -42.62 -26.10 -11.25 -42.67 -26.73 -10.37 2 0 1000.00 -999 ? >VAL~B 160 -39.60 -26.84 -7.40 -38.36 -25.18 -6.76 -38.98 -26.01 -7.08 3 0 1000.00 -999 ? >GLU~B 161 -42.99 -29.65 -2.89 -41.59 -29.61 -1.30 -42.29 -29.63 -2.09 2 0 1000.00 -999 ? >SER~B 162 -41.94 -31.54 -7.46 -44.03 -31.26 -8.62 -42.99 -31.40 -8.04 2 0 1000.00 -999 ? >LEU~B 163 -37.34 -30.57 -8.58 -35.58 -30.89 -9.84 -36.46 -30.73 -9.21 3 0 1000.00 -999 ? >LYS~B 164 -37.66 -32.13 -4.24 -37.18 -27.43 -1.16 -37.42 -29.78 -2.70 2 0 1000.00 -999 ? >LYS~B 165 -40.03 -35.08 -4.27 -45.82 -37.30 -5.30 -42.93 -36.19 -4.79 2 0 1000.00 -999 ? >ILE~B 166 -37.70 -35.82 -8.42 -37.90 -35.47 -9.56 -37.80 -35.64 -8.99 3 0 1000.00 -999 ? >PHE~B 167 -33.10 -34.84 -3.45 -30.83 -34.97 -1.83 -31.97 -34.90 -2.64 3 0 1000.00 -999 ? >TYR~B 168 -36.80 -36.24 -0.31 -36.06 -34.07 1.21 -36.43 -35.15 0.45 3 0 1000.00 -999 ? >THR~B 169 -37.18 -40.69 -4.32 -38.75 -40.62 -5.84 -37.97 -40.65 -5.08 2 0 1000.00 -999 ? >ILE~B 170 -32.73 -40.37 -6.37 -31.85 -39.54 -7.02 -32.29 -39.96 -6.70 3 0 1000.00 -999 ? >THR^B 171 -32.40 -44.86 -5.64 -34.11 -46.04 -5.09 -33.26 -45.45 -5.36 2 0 1000.00 -999 ? >CSS^B 172 -29.24 -46.32 -7.16 -27.68 -43.97 -6.96 -28.46 -45.15 -7.06 2 0 1000.00 -999 ? >GLU^B 173 -31.94 -50.04 -6.15 -33.99 -50.38 -5.79 -32.97 -50.21 -5.97 2 0 1000.00 -999 ? >ALA.B 174 -28.42 -52.78 -9.72 -26.98 -53.07 -9.38 -27.70 -52.92 -9.55 2 0 1000.00 -999 ? >VAL.B 175 -30.10 -55.96 -10.91 -31.60 -56.46 -12.39 -30.85 -56.21 -11.65 3 0 1000.00 -999 ? >TYR.B 176 -28.06 -57.79 -6.63 -26.79 -55.70 -5.31 -27.43 -56.75 -5.97 3 0 1000.00 -999 ? >GLU.C 47 -14.78 -77.27 -39.22 -15.06 -79.18 -38.35 -14.92 -78.22 -38.78 2 0 1000.00 -999 ? >VAL.C 48 -10.35 -76.62 -41.99 -8.96 -77.15 -43.60 -9.65 -76.88 -42.79 3 0 1000.00 -999 ? >ASN.C 49 -8.47 -75.51 -37.86 -10.20 -76.71 -37.48 -9.33 -76.11 -37.67 2 0 1000.00 -999 ? >PRO.C 50 -7.34 -71.53 -41.56 -6.15 -73.17 -40.60 -6.75 -72.35 -41.08 3 0 1000.00 -999 ? >ASP.C 51 -2.07 -71.43 -38.12 -0.99 -72.83 -39.28 -1.53 -72.13 -38.70 2 0 1000.00 -999 ? >ILE.C 52 -2.25 -68.54 -43.22 -3.41 -69.44 -43.52 -2.83 -68.99 -43.37 3 0 1000.00 -999 ? >ILE.C 53 -3.98 -64.22 -40.62 -4.93 -63.59 -39.68 -4.46 -63.90 -40.15 3 0 1000.00 -999 ? >LYS.C 54 0.03 -62.48 -41.68 5.00 -65.36 -40.44 2.51 -63.92 -41.06 2 0 1000.00 -999 ? >ASP.C 55 1.33 -65.95 -44.52 1.97 -66.99 -46.24 1.65 -66.47 -45.38 2 0 1000.00 -999 ? >GLU.C 56 -3.93 -66.42 -47.10 -4.54 -68.40 -47.57 -4.24 -67.41 -47.33 2 0 1000.00 -999 ? >VAL.C 57 -4.39 -62.35 -48.61 -3.36 -61.79 -50.45 -3.88 -62.07 -49.53 3 0 1000.00 -999 ? >PHE.C 58 -7.57 -63.38 -45.88 -5.76 -65.00 -44.52 -6.66 -64.19 -45.20 3 0 1000.00 -999 ? >ASP.C 59 -11.66 -59.58 -49.98 -10.55 -58.97 -51.68 -11.10 -59.28 -50.83 2 0 1000.00 -999 ? >PHE~C 60 -12.55 -61.87 -44.94 -13.27 -64.21 -46.30 -12.91 -63.04 -45.62 3 0 1000.00 -999 ? >VAL~C 61 -11.78 -55.98 -43.30 -13.51 -54.75 -43.77 -12.65 -55.36 -43.53 3 0 1000.00 -999 ? >ILE~C 62 -12.12 -58.51 -39.12 -12.55 -59.18 -38.29 -12.33 -58.85 -38.71 3 0 1000.00 -999 ? >VAL~C 63 -8.21 -59.38 -41.14 -7.75 -61.12 -42.38 -7.98 -60.25 -41.76 3 0 1000.00 -999 ? >ASN~C 64 -7.22 -55.85 -44.23 -7.07 -57.40 -45.69 -7.15 -56.62 -44.96 2 0 1000.00 -999 ? >ARG~C 65 -10.40 -50.99 -40.08 -9.71 -48.47 -38.45 -10.06 -49.73 -39.26 2 0 1000.00 -999 ? >VAL~C 66 -7.36 -55.90 -37.05 -8.96 -56.08 -35.56 -8.16 -55.99 -36.31 3 0 1000.00 -999 ? >LEU~C 67 -6.74 -60.62 -37.99 -8.04 -61.58 -36.53 -7.39 -61.10 -37.26 3 0 1000.00 -999 ? >LYS~C 68 -2.87 -59.04 -39.26 -5.13 -59.54 -45.05 -4.00 -59.29 -42.16 2 0 1000.00 -999 ? >LYS~C 69 -2.18 -55.92 -37.20 -3.26 -51.29 -40.26 -2.72 -53.60 -38.73 2 0 1000.00 -999 ? >ILE~C 70 -3.13 -59.11 -33.60 -4.00 -59.89 -32.73 -3.57 -59.50 -33.16 3 0 1000.00 -999 ? >LYS.C 71 1.40 -57.99 -32.69 1.53 -52.96 -30.71 1.47 -55.48 -31.70 2 0 1000.00 -999 ? >ASP~C 72 2.48 -61.28 -29.93 3.18 -63.11 -29.12 2.83 -62.20 -29.53 2 0 1000.00 -999 ? >LEU~C 73 -2.09 -63.17 -33.61 -3.95 -63.93 -34.45 -3.02 -63.55 -34.03 3 0 1000.00 -999 ? >LYS~C 74 -0.28 -66.44 -31.01 -1.62 -68.23 -35.28 -0.95 -67.33 -33.14 2 0 1000.00 -999 ? >HIS~C 75 -0.41 -63.85 -25.35 -1.08 -63.57 -23.38 -0.75 -63.71 -24.36 3 0 1000.00 -999 ? >TYR~C 76 -4.36 -62.53 -27.50 -3.06 -60.24 -26.66 -3.71 -61.38 -27.08 3 0 1000.00 -999 ? >ASP~C 77 -5.63 -69.40 -27.32 -4.69 -69.04 -25.45 -5.16 -69.22 -26.38 2 0 1000.00 -999 ? >PRO.C 78 -4.43 -66.56 -32.23 -5.97 -67.94 -31.35 -5.20 -67.25 -31.79 3 0 1000.00 -999 ? >MET?C 79 -8.69 -70.60 -33.31 -12.25 -72.55 -32.55 -10.47 -71.57 -32.93 2 0 1000.00 -999 ? >ILE.C 80 -7.92 -68.95 -37.65 -7.39 -67.75 -38.23 -7.66 -68.35 -37.94 3 0 1000.00 -999 ? >GLU.C 81 -13.16 -72.50 -38.35 -14.04 -73.56 -36.76 -13.60 -73.03 -37.55 2 0 1000.00 -999 ? >LYS.C 82 -11.50 -71.40 -43.17 -7.12 -69.62 -45.89 -9.31 -70.51 -44.53 2 0 1000.00 -999 ? >ILE.C 83 -15.99 -70.18 -44.09 -17.33 -69.77 -43.28 -16.66 -69.97 -43.68 3 0 1000.00 -999 ? >PHE.C 84 -19.07 -74.66 -45.75 -20.92 -75.93 -44.08 -19.99 -75.29 -44.92 3 0 1000.00 -999 ? >GLU.C 90 -12.21 -69.58 -46.68 -11.45 -67.60 -46.66 -11.83 -68.59 -46.67 2 0 1000.00 -999 ? >MET?C 91 -16.21 -68.19 -48.95 -19.83 -68.65 -47.44 -18.02 -68.42 -48.19 2 0 1000.00 -999 ? >GLY^C 92 -15.52 -66.77 -45.48 -15.07 -67.44 -45.55 -15.30 -67.11 -45.51 1 0 1000.00 -999 ? >LEU^C 93 -12.44 -65.77 -42.22 -10.31 -66.16 -42.15 -11.38 -65.96 -42.18 3 0 1000.00 -999 ? >ASN^C 94 -15.53 -69.35 -38.54 -15.98 -69.66 -36.48 -15.75 -69.51 -37.51 2 0 1000.00 -999 ? >VAL^C 95 -12.70 -66.69 -36.03 -11.21 -65.15 -36.54 -11.96 -65.92 -36.28 3 0 1000.00 -999 ? >GLU^C 96 -12.50 -68.59 -30.25 -14.25 -68.95 -29.11 -13.38 -68.77 -29.68 2 0 1000.00 -999 ? >ILE^C 97 -9.54 -63.70 -30.40 -8.20 -63.08 -31.06 -8.87 -63.39 -30.73 3 0 1000.00 -999 ? >GLN^C 98 -8.86 -67.90 -26.02 -10.65 -68.54 -25.07 -9.76 -68.22 -25.54 2 0 1000.00 -999 ? >ILE.C 99 -10.25 -60.97 -24.35 -10.97 -60.52 -24.74 -10.61 -60.75 -24.55 3 0 1000.00 -999 ? >ASN.C 100 -8.60 -63.93 -20.33 -9.22 -61.98 -19.76 -8.91 -62.96 -20.04 2 0 1000.00 -999 ? >PRO.C 101 -4.20 -64.65 -23.82 -5.89 -65.93 -23.02 -5.05 -65.29 -23.42 3 0 1000.00 -999 ? >GLU.C 102 -4.41 -65.67 -19.16 -2.61 -64.79 -19.83 -3.51 -65.23 -19.50 2 0 1000.00 -999 ? >VAL.C 103 -8.50 -67.91 -18.65 -8.99 -66.53 -17.03 -8.75 -67.22 -17.84 3 0 1000.00 -999 ? >LYS.C 104 -10.19 -70.07 -21.29 -11.31 -74.98 -24.44 -10.75 -72.53 -22.86 2 0 1000.00 -999 ? >ASP.C 105 -14.30 -70.72 -22.60 -14.52 -71.59 -24.50 -14.41 -71.15 -23.55 2 0 1000.00 -999 ? >PHE.C 106 -13.34 -65.43 -17.84 -14.04 -63.59 -15.87 -13.69 -64.51 -16.85 3 0 1000.00 -999 ? >PHE^C 107 -13.76 -61.14 -22.05 -15.00 -58.74 -22.76 -14.38 -59.94 -22.41 3 0 1000.00 -999 ? >THR^C 108 -13.59 -64.33 -26.13 -14.41 -66.32 -26.01 -14.00 -65.33 -26.07 2 0 1000.00 -999 ? >PHE^C 109 -13.38 -60.69 -31.17 -13.69 -59.56 -33.69 -13.54 -60.12 -32.43 3 0 1000.00 -999 ? >LYS^C 110 -15.85 -64.23 -32.24 -17.60 -68.01 -29.96 -16.72 -66.12 -31.10 2 0 1000.00 -999 ? >SER^C 111 -15.77 -62.91 -35.78 -15.00 -61.65 -37.69 -15.39 -62.28 -36.74 2 0 1000.00 -999 ? >ILE^C 112 -19.07 -65.15 -38.42 -18.70 -66.33 -38.24 -18.88 -65.74 -38.33 3 0 1000.00 -999 ? >SER^C 113 -17.13 -63.33 -42.21 -15.12 -62.19 -41.46 -16.13 -62.76 -41.83 2 0 1000.00 -999 ? >THR.C 114 -19.08 -65.05 -44.99 -21.01 -65.43 -44.08 -20.05 -65.24 -44.54 2 0 1000.00 -999 ? >THR.C 115 -20.54 -63.67 -48.23 -22.64 -63.86 -48.77 -21.59 -63.77 -48.50 2 0 1000.00 -999 ? >ASN.C 116 -21.11 -59.15 -49.34 -20.13 -57.79 -50.63 -20.62 -58.47 -49.98 2 0 1000.00 -999 ? >LYS.C 117 -21.14 -60.02 -44.70 -24.85 -60.48 -41.85 -23.00 -60.25 -43.28 2 0 1000.00 -999 ? >GLN^C 118 -17.17 -59.58 -40.85 -16.15 -58.67 -39.23 -16.66 -59.13 -40.04 2 0 1000.00 -999 ? >ARG^C 119 -24.56 -62.08 -37.67 -27.22 -62.91 -36.49 -25.89 -62.49 -37.08 2 0 1000.00 -999 ? >CSS^C 120 -18.89 -59.75 -34.61 -17.26 -57.97 -36.07 -18.07 -58.86 -35.34 2 0 1000.00 -999 ? >PHE^C 121 -21.24 -62.64 -32.13 -23.11 -63.40 -34.06 -22.18 -63.02 -33.10 3 0 1000.00 -999 ? >LEU^C 122 -17.97 -59.31 -26.90 -16.43 -57.82 -27.29 -17.20 -58.57 -27.09 3 0 1000.00 -999 ? >SER^C 123 -18.75 -63.34 -24.86 -19.99 -65.40 -24.89 -19.37 -64.37 -24.87 2 0 1000.00 -999 ? >LEU^C 124 -18.37 -61.60 -20.59 -17.02 -60.60 -19.18 -17.69 -61.10 -19.88 3 0 1000.00 -999 ? >ARG.C 125 -18.13 -64.38 -15.34 -20.61 -63.49 -13.75 -19.37 -63.93 -14.55 2 0 1000.00 -999 ? >GLY.C 126 -20.60 -67.80 -21.44 -20.60 -67.01 -21.48 -20.60 -67.40 -21.46 1 0 1000.00 -999 ? >GLU^C 127 -25.08 -63.67 -21.36 -25.67 -61.75 -20.73 -25.37 -62.71 -21.04 2 0 1000.00 -999 ? >THR^C 128 -22.61 -63.77 -25.76 -21.68 -64.91 -27.34 -22.15 -64.34 -26.55 2 0 1000.00 -999 ? >ARG^C 129 -23.82 -58.44 -23.85 -24.95 -56.95 -21.36 -24.39 -57.70 -22.61 2 0 1000.00 -999 ? >GLU^C 130 -24.17 -58.95 -33.27 -25.08 -59.91 -34.93 -24.62 -59.43 -34.10 2 0 1000.00 -999 ? >ILE^C 131 -20.42 -55.72 -30.60 -19.45 -55.14 -30.16 -19.93 -55.43 -30.38 3 0 1000.00 -999 ? >LEU.C 132 -22.20 -52.47 -34.69 -22.62 -51.24 -36.42 -22.41 -51.85 -35.55 3 0 1000.00 -999 ? >CSS.C 133 -18.45 -54.38 -36.55 -18.78 -57.12 -37.13 -18.62 -55.75 -36.84 2 0 1000.00 -999 ? >ASP~C 134 -18.01 -49.77 -36.62 -18.09 -49.56 -34.52 -18.05 -49.66 -35.57 2 0 1000.00 -999 ? >ASN~C 135 -13.60 -47.58 -37.56 -12.69 -48.22 -39.37 -13.14 -47.90 -38.47 2 0 1000.00 -999 ? >LYS~C 136 -14.53 -48.08 -33.00 -19.85 -45.32 -32.39 -17.19 -46.70 -32.70 2 0 1000.00 -999 ? >LEU~C 137 -15.60 -52.82 -32.96 -15.96 -54.86 -32.23 -15.78 -53.84 -32.60 3 0 1000.00 -999 ? >TYR~C 138 -12.41 -53.10 -36.80 -14.28 -54.56 -38.29 -13.35 -53.83 -37.55 3 0 1000.00 -999 ? >ASN~C 139 -9.81 -48.28 -33.17 -9.13 -47.82 -35.14 -9.47 -48.05 -34.16 2 0 1000.00 -999 ? >MET?C 140 -10.45 -50.84 -29.34 -11.40 -51.23 -26.02 -10.92 -51.03 -27.68 2 0 1000.00 -999 ? >LEU~C 141 -10.15 -55.39 -31.16 -11.81 -56.77 -30.98 -10.98 -56.08 -31.07 3 0 1000.00 -999 ? >LEU~C 142 -5.96 -52.28 -32.56 -6.09 -52.90 -34.64 -6.02 -52.59 -33.60 3 0 1000.00 -999 ? >ALA~C 143 -5.60 -51.16 -28.10 -6.48 -50.07 -27.52 -6.04 -50.61 -27.81 2 0 1000.00 -999 ? >VAL~C 144 -6.41 -54.32 -26.18 -8.20 -55.49 -25.71 -7.31 -54.90 -25.94 3 0 1000.00 -999 ? >PHE~C 145 -5.98 -58.43 -29.16 -8.28 -60.00 -29.07 -7.13 -59.21 -29.12 3 0 1000.00 -999 ? >ASN~C 146 -1.24 -54.09 -30.13 -1.24 -55.59 -31.65 -1.24 -54.84 -30.89 2 0 1000.00 -999 ? >SER.C 147 -1.12 -53.14 -25.35 -3.20 -53.32 -24.12 -2.16 -53.23 -24.73 2 0 1000.00 -999 ? >TYR.C 148 0.20 -59.02 -23.96 1.83 -61.12 -23.13 1.01 -60.07 -23.54 3 0 1000.00 -999 ? >ASP.C 149 3.56 -55.11 -21.85 5.66 -55.01 -21.74 4.61 -55.06 -21.80 2 0 1000.00 -999 ? >PRO.C 150 5.76 -59.85 -21.70 4.19 -58.93 -20.40 4.97 -59.39 -21.05 3 0 1000.00 -999 ? >ASN.C 151 8.23 -57.05 -18.40 9.20 -58.96 -18.51 8.71 -58.00 -18.46 2 0 1000.00 -999 ? >ASP.C 152 4.84 -53.01 -18.23 3.95 -51.21 -17.57 4.39 -52.11 -17.90 2 0 1000.00 -999 ? >LEU~C 153 0.43 -57.02 -17.24 0.20 -58.53 -18.79 0.32 -57.77 -18.02 3 0 1000.00 -999 ? >LEU~C 154 -0.41 -51.36 -15.55 -1.36 -50.83 -13.67 -0.89 -51.10 -14.61 3 0 1000.00 -999 ? >LYS~C 155 -2.15 -50.70 -19.50 -4.57 -48.46 -20.17 -3.36 -49.58 -19.83 2 0 1000.00 -999 ? >HIS~C 156 -3.01 -56.45 -21.58 -4.00 -58.07 -22.50 -3.51 -57.26 -22.04 3 0 1000.00 -999 ? >ILE~C 157 -4.88 -54.97 -16.26 -5.75 -55.64 -15.08 -5.31 -55.30 -15.67 3 0 1000.00 -999 ? >SER~C 158 -6.93 -51.36 -17.92 -6.87 -48.99 -17.40 -6.90 -50.17 -17.66 2 0 1000.00 -999 ? >THR~C 159 -7.90 -51.73 -21.60 -6.14 -51.83 -22.89 -7.02 -51.78 -22.24 2 0 1000.00 -999 ? >VAL~C 160 -9.26 -55.19 -21.02 -8.71 -57.29 -20.76 -8.98 -56.24 -20.89 3 0 1000.00 -999 ? >GLU~C 161 -12.49 -52.50 -16.39 -13.29 -54.18 -15.37 -12.89 -53.34 -15.88 2 0 1000.00 -999 ? >SER~C 162 -12.50 -51.18 -21.36 -11.19 -49.19 -21.66 -11.85 -50.19 -21.51 2 0 1000.00 -999 ? >LEU~C 163 -12.75 -55.20 -24.07 -13.32 -56.10 -25.95 -13.03 -55.65 -25.01 3 0 1000.00 -999 ? >LYS~C 164 -15.69 -55.59 -20.61 -12.77 -58.81 -16.99 -14.23 -57.20 -18.80 2 0 1000.00 -999 ? >LYS~C 165 -17.39 -52.20 -20.22 -18.31 -46.84 -18.94 -17.85 -49.52 -19.58 2 0 1000.00 -999 ? >ILE~C 166 -17.31 -52.41 -25.16 -16.55 -52.14 -26.01 -16.93 -52.28 -25.58 3 0 1000.00 -999 ? >PHE~C 167 -19.89 -58.15 -22.47 -21.66 -60.28 -22.10 -20.77 -59.22 -22.29 3 0 1000.00 -999 ? >TYR~C 168 -20.78 -55.60 -18.36 -19.84 -57.77 -16.88 -20.31 -56.69 -17.62 3 0 1000.00 -999 ? >THR~C 169 -23.00 -51.60 -22.38 -22.18 -49.61 -22.20 -22.59 -50.60 -22.29 2 0 1000.00 -999 ? >ILE~C 170 -23.62 -54.35 -26.38 -23.06 -55.29 -27.15 -23.34 -54.82 -26.76 3 0 1000.00 -999 ? >THR.C 171 -27.68 -52.28 -26.49 -28.04 -50.39 -25.50 -27.86 -51.34 -26.00 2 0 1000.00 -999 ? >CYH.C 172 -29.55 -53.55 -29.55 -28.44 -56.07 -29.05 -29.00 -54.81 -29.30 2 0 1000.00 -999 ? >GLU.C 173 -31.42 -49.78 -28.58 -31.00 -48.06 -27.45 -31.21 -48.92 -28.01 2 0 1000.00 -999 ? >ALA.C 174 -33.55 -49.50 -33.91 -34.47 -50.42 -34.69 -34.01 -49.96 -34.30 2 0 1000.00 -999 ? >VAL.C 175 -34.90 -46.07 -34.82 -33.88 -44.38 -35.77 -34.39 -45.22 -35.30 3 0 1000.00 -999 ? >TYR.C 176 -39.15 -47.59 -32.56 -38.78 -50.16 -31.58 -38.97 -48.88 -32.07 3 0 1000.00 -999 ?