#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxk n ASP 172 N 0.00 1.10 0.25 4.39 3.85 -1.26 -5.03 116.55 119.85 1lxk n ASP 172 Ca 0.00 -0.45 0.13 0.00 -0.71 0.00 0.00 54.79 53.76 1lxk n ASP 172 Cb 0.00 0.00 0.59 0.00 -1.35 0.00 0.00 41.12 40.36 1lxk n ASP 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1lxk h THR 173 N 0.45 0.41 -0.12 2.12 1.03 -2.02 -2.61 112.91 112.17 1lxk h THR 173 Ca 0.00 -0.82 -0.08 0.00 -0.01 0.00 0.00 66.41 65.50 1lxk h THR 173 Cb 0.00 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 1lxk h THR 173 CO 0.00 0.14 -0.23 1.88 -0.01 0.00 0.00 175.52 177.30 1lxk h TYR 174 N 0.00 0.47 0.00 0.00 0.05 -1.96 -2.36 116.97 113.17 1lxk h TYR 174 Ca -0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 1lxk h TYR 174 Cb 0.58 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1lxk h TYR 174 CO 0.00 0.85 -0.12 1.79 -1.05 0.00 0.00 178.16 179.63 1lxk h THR 175 N -0.04 0.79 0.20 -2.88 1.35 -1.83 0.39 112.91 110.90 1lxk h THR 175 Ca 0.01 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1lxk h THR 175 Cb 0.81 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1lxk h THR 175 CO 0.05 0.12 -0.10 0.44 -0.25 0.00 0.00 175.52 175.78 1lxk h ASP 176 N 0.00 -0.23 -0.42 5.36 3.45 -1.17 0.39 116.42 123.81 1lxk h ASP 176 Ca -0.00 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.27 1lxk h ASP 176 Cb 0.26 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1lxk h ASP 176 CO 0.02 -0.05 -0.12 0.03 -1.57 0.00 0.00 179.24 177.55 1lxk h ARG 177 N -0.39 0.88 0.00 3.56 2.47 -0.84 -1.88 114.38 118.19 1lxk h ARG 177 Ca -0.03 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.36 1lxk h ARG 177 Cb 0.30 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1lxk h ARG 177 CO 0.04 0.95 -0.10 -0.07 0.56 0.00 0.00 179.97 181.36 1lxk h LEU 178 N 0.79 0.00 -0.00 3.04 3.38 0.05 0.19 115.31 122.76 1lxk h LEU 178 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.83 1lxk h LEU 178 Cb 0.63 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.40 1lxk h LEU 178 CO 0.04 0.10 -1.10 0.44 0.09 0.00 0.00 178.44 178.01 1lxk h ASP 179 N 0.00 0.71 -0.52 -0.43 3.32 0.54 -2.63 116.42 117.41 1lxk h ASP 179 Ca -0.00 -0.62 -0.10 0.00 0.02 0.00 0.00 57.03 56.33 1lxk h ASP 179 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1lxk h ASP 179 CO 0.01 1.43 -0.05 0.44 -1.72 0.00 0.00 179.24 179.36 1lxk h ASP 180 N 0.26 0.95 -0.40 6.45 3.45 -0.61 -2.37 116.42 124.14 1lxk h ASP 180 Ca -0.13 -0.33 0.03 0.00 0.43 0.00 0.00 57.03 57.02 1lxk h ASP 180 Cb 1.77 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 40.25 1lxk h ASP 180 CO 0.20 1.05 0.22 -0.25 -1.57 0.00 0.00 179.24 178.89 1lxk h TRP 181 N 0.83 0.40 -0.24 4.55 -0.00 -1.01 -1.17 115.95 119.31 1lxk h TRP 181 Ca 0.14 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1lxk h TRP 181 Cb 0.60 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.62 1lxk h TRP 181 CO 0.04 0.22 0.15 -0.91 -0.00 0.00 0.00 178.44 177.94 1lxk h ASN 182 N 0.44 0.27 0.67 2.65 2.35 -1.26 0.17 115.58 120.87 1lxk h ASN 182 Ca 0.17 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1lxk h ASN 182 Cb 0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1lxk h ASN 182 CO -0.10 0.21 -0.35 1.23 -1.65 0.00 0.00 177.43 176.77 1lxk h GLY 183 N 0.34 0.00 0.38 2.83 0.00 -0.71 0.18 103.07 106.09 1lxk h GLY 183 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.17 1lxk h GLY 183 CO -0.02 0.00 -1.31 -2.22 0.00 0.00 0.00 176.54 172.99 1lxk h ILE 184 N 0.00 1.02 0.00 2.60 2.04 -0.14 -3.06 117.51 119.98 1lxk h ILE 184 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1lxk h ILE 184 Cb 0.78 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 1lxk h ILE 184 CO 0.05 0.62 -0.16 0.16 0.00 0.00 0.00 178.15 178.81 1lxk h ILE 185 N -0.50 0.00 0.00 -0.67 3.07 -0.86 -3.42 117.51 115.13 1lxk h ILE 185 Ca -0.30 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.41 1lxk h ILE 185 Cb 1.61 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 1lxk h ILE 185 CO -0.01 0.00 -0.11 0.00 -1.05 0.00 0.00 178.15 176.98 1lxk n ALA 186 N -1.93 3.00 -2.98 0.16 0.00 -0.85 -4.84 120.51 113.07 1lxk n ALA 186 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1lxk n ALA 186 Cb 0.47 0.07 0.05 0.00 0.00 0.00 0.00 19.45 20.04 1lxk n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxk n GLY 187 N 1.77 0.07 0.24 0.00 0.00 0.57 -2.33 105.19 105.51 1lxk n GLY 187 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1lxk n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1lxk h ASN 188 N -1.33 0.05 0.25 1.61 2.35 -1.86 -2.27 115.58 114.38 1lxk h ASN 188 Ca -0.32 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1lxk h ASN 188 Cb 1.20 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 1lxk h ASN 188 CO 0.30 0.16 -0.04 0.06 -1.65 0.00 0.00 177.43 176.25 1lxk h GLN 189 N 0.05 0.00 -0.03 0.81 3.07 -1.92 -2.09 115.11 115.00 1lxk h GLN 189 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1lxk h GLN 189 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1lxk h GLN 189 CO 0.01 0.04 0.00 0.66 0.09 0.00 0.00 178.83 179.64 1lxk n TYR 190 N -3.46 0.01 -1.73 0.06 4.01 -0.85 -4.99 117.16 110.20 1lxk n TYR 190 Ca -0.02 -0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1lxk n TYR 190 Cb 0.16 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 1lxk n TYR 190 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1lxk n TYR 191 N 1.17 2.07 -3.55 -0.72 9.36 -0.79 -4.96 117.16 119.75 1lxk n TYR 191 Ca 0.15 0.43 -0.10 0.00 3.32 0.00 0.00 57.90 61.70 1lxk n TYR 191 Cb 0.56 -2.32 -0.10 0.00 -0.63 0.00 0.00 39.34 36.86 1lxk n TYR 191 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1lxk s ASP 192 N -1.08 0.10 0.53 2.98 3.68 -1.26 -5.03 116.67 116.60 1lxk s ASP 192 Ca 0.75 0.60 0.31 0.00 2.13 0.00 0.00 52.55 56.35 1lxk s ASP 192 Cb -0.41 1.11 1.42 0.00 -1.45 0.00 0.00 42.92 43.59 1lxk s ASP 192 CO 0.46 -0.26 2.02 0.77 0.13 0.00 0.00 175.17 178.29 1lxk h SER 193 N 8.20 0.00 -0.23 -0.34 4.64 -1.97 -1.94 113.55 121.92 1lxk h SER 193 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1lxk h SER 193 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1lxk h SER 193 CO 0.18 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 1lxk n LYS 194 N -3.30 1.63 -3.46 4.77 4.76 -1.26 -4.68 118.16 116.62 1lxk n LYS 194 Ca -0.01 -0.97 -0.43 0.00 -2.87 0.00 0.00 58.31 54.03 1lxk n LYS 194 Cb 0.29 -1.28 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 1lxk n LYS 194 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1lxk s ASN 195 N -1.21 6.00 0.15 4.39 3.84 -0.73 -5.00 114.94 122.38 1lxk s ASN 195 Ca 0.24 -1.31 -0.30 0.00 0.21 0.00 0.00 52.86 51.69 1lxk s ASN 195 Cb 0.12 -2.12 -0.05 0.00 -0.55 0.00 0.00 41.25 38.65 1lxk s ASN 195 CO 0.18 -0.59 1.55 0.44 -2.79 0.00 0.00 177.10 175.89 1lxk h ASP 196 N 8.64 -1.91 -0.77 -4.21 3.32 -1.85 0.36 116.42 119.99 1lxk h ASP 196 Ca -0.27 0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1lxk h ASP 196 Cb 1.10 0.83 -0.04 0.00 0.22 0.00 0.00 39.33 41.45 1lxk h ASP 196 CO 0.82 -0.32 0.41 1.56 -1.72 0.00 0.00 179.24 179.99 1lxk h GLN 197 N -0.19 1.08 -0.14 3.56 1.08 -1.95 -2.08 115.11 116.48 1lxk h GLN 197 Ca 0.14 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1lxk h GLN 197 Cb 0.52 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1lxk h GLN 197 CO -0.77 0.81 0.04 0.52 -0.95 0.00 0.00 178.83 178.47 1lxk h MET 198 N 1.07 0.22 -0.20 1.46 2.86 -1.72 -2.80 114.93 115.81 1lxk h MET 198 Ca 0.27 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1lxk h MET 198 Cb 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1lxk h MET 198 CO -0.04 0.38 0.13 0.00 1.06 0.00 0.00 176.91 178.44 1lxk h ALA 199 N 0.84 1.91 -0.46 6.32 0.00 -0.82 -0.52 119.26 126.52 1lxk h ALA 199 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1lxk h ALA 199 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1lxk h ALA 199 CO 0.00 0.07 0.01 -0.22 0.00 0.00 0.00 179.25 179.11 1lxk h LYS 200 N 0.23 0.80 -0.14 0.00 3.64 -1.13 0.70 116.57 120.66 1lxk h LYS 200 Ca 0.08 -0.25 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 1lxk h LYS 200 Cb 0.04 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1lxk h LYS 200 CO -0.02 0.85 -0.65 1.25 -2.27 0.00 0.00 179.45 178.62 1lxk h LEU 201 N 0.65 0.62 -0.32 5.20 5.85 -1.16 -1.95 115.31 124.20 1lxk h LEU 201 Ca 0.13 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1lxk h LEU 201 Cb 0.48 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1lxk h LEU 201 CO 0.02 1.10 0.12 -1.13 -0.34 0.00 0.00 178.44 178.22 1lxk h ASN 202 N 0.39 0.45 -0.95 1.25 -0.00 -0.96 -1.10 115.58 114.66 1lxk h ASN 202 Ca -0.02 -0.18 0.08 0.00 -0.00 0.00 0.00 56.30 56.19 1lxk h ASN 202 Cb 1.22 -0.12 -0.07 0.00 -0.00 0.00 0.00 38.32 39.36 1lxk h ASN 202 CO 0.12 0.50 0.61 -0.61 -0.00 0.00 0.00 177.43 178.05 1lxk h GLN 203 N 0.36 1.00 -0.50 6.67 4.15 -0.72 0.28 115.11 126.35 1lxk h GLN 203 Ca 0.11 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1lxk h GLN 203 Cb 0.20 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1lxk h GLN 203 CO -0.01 0.66 0.15 1.49 -1.93 0.00 0.00 178.83 179.20 1lxk h GLU 204 N 1.03 0.77 -0.05 1.69 4.81 -0.59 -2.26 114.58 119.99 1lxk h GLU 204 Ca 0.43 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1lxk h GLU 204 Cb 0.30 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1lxk h GLU 204 CO -0.18 0.72 -0.55 -0.07 -0.73 0.00 0.00 179.01 178.20 1lxk h LEU 205 N 0.67 0.15 -0.27 1.64 3.38 -0.34 -2.18 115.31 118.36 1lxk h LEU 205 Ca 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1lxk h LEU 205 Cb 0.27 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1lxk h LEU 205 CO -0.00 0.67 0.10 -0.33 0.09 0.00 0.00 178.44 178.97 1lxk h GLU 206 N 0.10 0.41 -0.14 1.13 4.39 -0.73 -1.88 114.58 117.87 1lxk h GLU 206 Ca -0.00 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1lxk h GLU 206 Cb 1.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1lxk h GLU 206 CO 0.08 0.45 -0.23 0.78 -1.16 0.00 0.00 179.01 178.94 1lxk h GLY 207 N 0.29 0.25 0.80 -3.84 0.00 -1.34 -1.54 103.07 97.69 1lxk h GLY 207 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1lxk h GLY 207 CO -0.01 0.17 -0.31 0.50 0.00 0.00 0.00 176.54 176.89 1lxk h LYS 208 N 0.22 -0.85 0.00 4.80 1.57 -0.96 -1.19 116.57 120.16 1lxk h LYS 208 Ca 0.04 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1lxk h LYS 208 Cb 0.53 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1lxk h LYS 208 CO 0.04 -0.52 -0.06 -0.39 -0.57 0.00 0.00 179.45 177.95 1lxk h VAL 209 N -1.09 0.21 -0.13 0.50 -1.51 -1.33 -0.16 116.25 112.74 1lxk h VAL 209 Ca -0.09 -0.46 -0.04 0.00 -1.23 0.00 0.00 66.70 64.88 1lxk h VAL 209 Cb 0.71 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1lxk h VAL 209 CO 0.15 0.05 -0.09 0.00 -1.23 0.00 0.00 177.57 176.46 1lxk h ALA 210 N 1.94 0.19 -0.59 5.19 0.00 -1.13 0.13 119.26 125.00 1lxk h ALA 210 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1lxk h ALA 210 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1lxk h ALA 210 CO 0.01 0.01 0.23 -0.44 0.00 0.00 0.00 179.25 179.05 1lxk h ASP 211 N -0.06 0.82 -0.29 0.00 3.32 -0.50 -0.26 116.42 119.44 1lxk h ASP 211 Ca 0.03 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1lxk h ASP 211 Cb 0.57 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1lxk h ASP 211 CO 0.02 0.77 0.13 0.28 -1.72 0.00 0.00 179.24 178.72 1lxk h SER 212 N 0.82 0.40 -0.30 6.45 0.02 -0.94 -2.52 113.55 117.47 1lxk h SER 212 Ca 0.20 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1lxk h SER 212 Cb 0.21 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1lxk h SER 212 CO -0.02 0.44 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.89 1lxk h LEU 213 N 0.33 0.66 0.00 5.07 3.38 -0.59 0.52 115.31 124.67 1lxk h LEU 213 Ca 0.10 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1lxk h LEU 213 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1lxk h LEU 213 CO -0.01 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 177.90 1lxk n SER 214 N -4.39 0.00 0.00 -0.43 3.41 -0.12 -3.17 113.62 108.92 1lxk n SER 214 Ca -0.03 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1lxk n SER 214 Cb 0.38 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1lxk n SER 214 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1lxk n SER 215 N -1.47 1.34 -4.66 4.04 3.41 -0.95 -5.04 113.62 110.28 1lxk n SER 215 Ca 0.04 -0.36 -0.34 0.00 -0.26 0.00 0.00 58.87 57.95 1lxk n SER 215 Cb 0.15 0.98 0.11 0.00 -0.26 0.00 0.00 64.21 65.19 1lxk n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lxk n ILE 216 N -1.11 2.49 -3.09 -1.33 3.06 0.15 -4.70 119.36 114.83 1lxk n ILE 216 Ca 0.00 -0.28 -0.39 0.00 -2.50 0.00 0.00 62.75 59.57 1lxk n ILE 216 Cb 0.00 -1.18 -0.05 0.00 0.54 0.00 0.00 39.64 38.95 1lxk n ILE 216 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1lxk s SER 217 N -1.90 6.89 -0.15 9.51 0.01 0.27 -4.96 113.70 123.38 1lxk s SER 217 Ca 0.74 1.08 0.14 0.00 1.31 0.00 0.00 55.95 59.22 1lxk s SER 217 Cb -0.31 -2.38 0.38 0.00 0.21 0.00 0.00 66.02 63.91 1lxk s SER 217 CO 0.50 -0.13 1.19 -1.54 0.41 0.00 0.00 173.24 173.67 1lxk n SER 218 N 3.99 1.63 -4.85 2.44 3.41 -1.26 -4.94 113.62 114.03 1lxk n SER 218 Ca -0.02 -3.37 -0.32 0.00 -0.26 0.00 0.00 58.87 54.90 1lxk n SER 218 Cb 0.51 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1lxk n SER 218 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1lxk s GLN 219 N -2.50 3.99 -0.37 4.33 -0.21 -1.26 -4.96 119.66 118.68 1lxk s GLN 219 Ca 0.35 0.74 -0.27 0.00 0.02 0.00 0.00 55.36 56.19 1lxk s GLN 219 Cb 0.34 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.97 1lxk s GLN 219 CO -0.07 0.03 2.08 0.00 -2.12 0.00 0.00 175.29 175.22 1lxk s ALA 220 N -2.18 2.45 0.01 6.09 0.00 -1.26 -4.09 121.76 122.77 1lxk s ALA 220 Ca 0.56 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1lxk s ALA 220 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1lxk s ALA 220 CO 0.21 -3.27 0.00 -3.47 0.00 0.00 0.00 175.76 169.23 1lxk n ASP 221 N 12.36 -2.90 -4.35 0.00 -0.08 -1.26 -5.10 116.55 115.23 1lxk n ASP 221 Ca 0.28 0.21 -0.19 0.00 -1.51 0.00 0.00 54.79 53.58 1lxk n ASP 221 Cb 0.49 -1.51 -0.10 0.00 2.34 0.00 0.00 41.12 42.34 1lxk n ASP 221 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1lxk s ARG 222 N -2.07 1.34 -0.12 -0.67 3.03 -1.26 -5.05 118.95 114.16 1lxk s ARG 222 Ca 0.00 -1.59 0.10 0.00 2.03 0.00 0.00 55.73 56.27 1lxk s ARG 222 Cb 0.00 -1.15 -0.24 0.00 -1.03 0.00 0.00 34.95 32.54 1lxk s ARG 222 CO 0.00 0.19 0.38 -0.89 -1.13 0.00 0.00 175.30 173.85 1lxk n ILE 223 N -0.37 1.57 -3.89 4.99 2.08 -1.26 -4.99 119.36 117.50 1lxk n ILE 223 Ca -0.08 -0.77 -0.10 0.00 0.56 0.00 0.00 62.75 62.36 1lxk n ILE 223 Cb 0.60 -1.04 -0.09 0.00 -0.75 0.00 0.00 39.64 38.37 1lxk n ILE 223 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 1lxk s TYR 224 N -2.56 0.14 -0.11 1.39 -0.85 -1.26 -5.02 117.35 109.08 1lxk s TYR 224 Ca -0.12 -0.44 -0.28 0.00 -0.52 0.00 0.00 57.07 55.71 1lxk s TYR 224 Cb 0.07 -0.09 -0.25 0.00 0.38 0.00 0.00 41.96 42.08 1lxk s TYR 224 CO 0.80 -0.42 0.89 -0.07 -1.52 0.00 0.00 175.55 175.22 1lxk h LEU 225 N 3.40 -0.00 -8.11 -3.49 3.38 -1.92 -3.41 115.31 105.15 1lxk h LEU 225 Ca -0.33 -0.87 -0.56 0.00 0.09 0.00 0.00 57.88 56.20 1lxk h LEU 225 Cb 1.19 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.61 1lxk h LEU 225 CO 0.51 0.88 -0.83 0.26 0.09 0.00 0.00 178.44 179.34 1lxk s TRP 226 N -2.70 1.78 0.21 1.13 0.51 -1.26 -0.57 118.94 118.04 1lxk s TRP 226 Ca -0.18 -0.66 -0.10 0.00 -2.12 0.00 0.00 56.10 53.04 1lxk s TRP 226 Cb -0.02 -1.25 0.21 0.00 -0.81 0.00 0.00 33.47 31.60 1lxk s TRP 226 CO 0.68 -0.30 1.84 1.49 -0.51 0.00 0.00 176.95 180.15 1lxk h GLU 227 N 6.80 0.79 -0.03 4.98 4.22 -1.86 -1.85 114.58 127.63 1lxk h GLU 227 Ca -0.28 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.12 1lxk h GLU 227 Cb 1.20 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1lxk h GLU 227 CO 0.47 0.52 0.09 -0.22 -2.18 0.00 0.00 179.01 177.70 1lxk h LYS 228 N 0.82 0.00 -1.94 1.92 3.11 -1.96 -2.75 116.57 115.76 1lxk h LYS 228 Ca 0.29 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.61 1lxk h LYS 228 Cb 0.07 0.00 -0.41 0.00 -1.00 0.00 0.00 32.23 30.89 1lxk h LYS 228 CO -0.13 0.00 -0.94 1.19 -2.81 0.00 0.00 179.45 176.76 1lxk n PHE 229 N -3.26 2.09 -0.06 1.91 3.72 -0.71 -4.87 117.46 116.27 1lxk n PHE 229 Ca -0.02 -3.70 -0.20 0.00 -0.05 0.00 0.00 57.45 53.49 1lxk n PHE 229 Cb 0.17 -0.41 -0.13 0.00 -0.94 0.00 0.00 39.48 38.17 1lxk n PHE 229 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1lxk n SER 230 N -0.04 2.06 -4.08 4.37 3.41 -1.04 -4.61 113.62 113.69 1lxk n SER 230 Ca 0.27 0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.63 1lxk n SER 230 Cb 0.58 -0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 1lxk n SER 230 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lxk n ASN 231 N -3.37 1.20 0.00 4.04 5.15 -1.26 -4.69 115.26 116.33 1lxk n ASN 231 Ca -0.39 -2.50 0.01 0.00 -0.60 0.00 0.00 54.58 51.10 1lxk n ASN 231 Cb 1.02 -1.17 0.03 0.00 -0.53 0.00 0.00 39.78 39.13 1lxk n ASN 231 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1lxk n TYR 232 N 14.94 0.00 0.13 1.20 4.01 -1.26 -0.95 117.16 135.22 1lxk n TYR 232 Ca 0.44 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.28 1lxk n TYR 232 Cb 0.45 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1lxk n TYR 232 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1lxk h LYS 233 N 0.00 0.00 -5.01 -0.72 1.57 -1.90 -3.42 116.57 107.10 1lxk h LYS 233 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1lxk h LYS 233 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 1lxk h LYS 233 CO 0.00 0.04 0.32 0.99 -0.57 0.00 0.00 179.45 180.23 1lxk s THR 234 N -3.28 4.62 0.32 -0.16 2.01 -0.12 -4.35 115.64 114.68 1lxk s THR 234 Ca 0.01 -0.77 0.18 0.00 0.31 0.00 0.00 61.69 61.42 1lxk s THR 234 Cb 0.08 -4.58 0.31 0.00 0.01 0.00 0.00 72.50 68.32 1lxk s THR 234 CO 0.76 -1.28 1.39 -1.54 -0.69 0.00 0.00 174.62 173.26 1lxk n SER 235 N 6.90 0.30 -0.06 3.53 3.41 -1.24 0.26 113.62 126.71 1lxk n SER 235 Ca -0.06 1.46 0.24 0.00 -0.26 0.00 0.00 58.87 60.25 1lxk n SER 235 Cb 0.44 -0.71 0.71 0.00 -0.26 0.00 0.00 64.21 64.40 1lxk n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lxk h ALA 236 N 1.76 2.58 0.00 7.33 0.00 -1.91 -0.44 119.26 128.57 1lxk h ALA 236 Ca 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1lxk h ALA 236 Cb 1.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1lxk h ALA 236 CO -0.68 -0.84 0.00 -0.91 0.00 0.00 0.00 179.25 176.82 1lxk h ASN 237 N 0.00 0.00 0.00 0.00 2.35 -0.49 -1.45 115.58 115.99 1lxk h ASN 237 Ca 0.31 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1lxk h ASN 237 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1lxk h ASN 237 CO -0.00 0.00 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.66 1lxk h LEU 238 N 0.00 0.04 -0.75 1.61 4.07 -1.22 -2.46 115.31 116.60 1lxk h LEU 238 Ca 0.00 -0.79 -0.04 0.00 0.08 0.00 0.00 57.88 57.13 1lxk h LEU 238 Cb 0.59 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1lxk h LEU 238 CO 0.00 0.83 0.32 0.74 -1.08 0.00 0.00 178.44 179.25 1lxk h THR 239 N -0.74 1.25 -0.25 0.22 2.02 -1.56 -0.54 112.91 113.30 1lxk h THR 239 Ca -0.01 -0.76 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 1lxk h THR 239 Cb 0.84 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1lxk h THR 239 CO 0.01 0.31 -0.33 0.00 0.37 0.00 0.00 175.52 175.88 1lxk h ALA 240 N 1.16 0.96 -0.18 6.16 0.00 -1.36 -0.43 119.26 125.57 1lxk h ALA 240 Ca 0.25 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1lxk h ALA 240 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1lxk h ALA 240 CO -0.03 0.61 -0.32 1.15 0.00 0.00 0.00 179.25 180.66 1lxk h THR 241 N 0.46 1.34 -0.03 0.00 2.02 -1.11 -2.97 112.91 112.61 1lxk h THR 241 Ca 0.05 -1.55 -0.12 0.00 0.77 0.00 0.00 66.41 65.56 1lxk h THR 241 Cb 0.79 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1lxk h THR 241 CO 0.06 0.47 -0.55 1.88 0.37 0.00 0.00 175.52 177.76 1lxk h TYR 242 N 0.19 0.11 0.00 3.16 0.05 -1.04 -2.66 116.97 116.77 1lxk h TYR 242 Ca 0.01 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1lxk h TYR 242 Cb 0.91 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 1lxk h TYR 242 CO 0.09 0.62 -0.21 0.00 -1.05 0.00 0.00 178.16 177.61 1lxk h ARG 243 N 0.07 0.00 -0.20 4.88 3.08 -1.06 -1.99 114.38 119.16 1lxk h ARG 243 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1lxk h ARG 243 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1lxk h ARG 243 CO 0.08 0.21 -0.50 0.87 -1.07 0.00 0.00 179.97 179.55 1lxk h LYS 244 N 0.00 0.55 0.00 0.04 1.57 -1.31 -2.22 116.57 115.21 1lxk h LYS 244 Ca -0.00 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1lxk h LYS 244 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1lxk h LYS 244 CO 0.03 0.93 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.36 1lxk h LEU 245 N 0.44 0.00 -0.48 2.94 3.38 -1.36 -2.26 115.31 117.97 1lxk h LEU 245 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1lxk h LEU 245 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1lxk h LEU 245 CO 0.10 0.40 -0.66 -0.08 0.09 0.00 0.00 178.44 178.28 1lxk h GLU 246 N 0.00 0.41 -0.43 1.13 4.81 -1.12 -0.69 114.58 118.69 1lxk h GLU 246 Ca -0.00 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.79 1lxk h GLU 246 Cb 0.99 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1lxk h GLU 246 CO 0.05 0.93 -0.26 0.93 -0.73 0.00 0.00 179.01 179.93 1lxk h GLU 247 N 0.29 0.91 -0.52 1.92 5.08 -1.15 -1.28 114.58 119.83 1lxk h GLU 247 Ca -0.02 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.83 1lxk h GLU 247 Cb 1.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1lxk h GLU 247 CO 0.11 1.05 -0.12 0.52 -1.00 0.00 0.00 179.01 179.58 1lxk h MET 248 N 0.77 0.98 -0.09 2.33 2.86 -1.28 -2.46 114.93 118.04 1lxk h MET 248 Ca 0.09 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1lxk h MET 248 Cb 0.82 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1lxk h MET 248 CO 0.07 1.03 -0.22 0.00 1.06 0.00 0.00 176.91 178.86 1lxk h ALA 249 N 0.98 1.47 -0.13 6.32 0.00 -0.91 0.36 119.26 127.36 1lxk h ALA 249 Ca 0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1lxk h ALA 249 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1lxk h ALA 249 CO 0.05 0.38 -0.22 0.87 0.00 0.00 0.00 179.25 180.32 1lxk h LYS 250 N 0.14 0.38 -0.18 0.00 1.57 -0.95 -3.16 116.57 114.36 1lxk h LYS 250 Ca 0.02 -0.23 -0.18 0.00 -1.87 0.00 0.00 60.65 58.39 1lxk h LYS 250 Cb 0.47 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1lxk h LYS 250 CO 0.03 0.82 -0.63 1.96 -0.57 0.00 0.00 179.45 181.06 1lxk h GLN 251 N -0.03 0.65 0.00 3.15 1.08 -1.22 -3.10 115.11 115.64 1lxk h GLN 251 Ca 0.01 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 56.74 1lxk h GLN 251 Cb 0.80 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1lxk h GLN 251 CO 0.05 1.08 -0.03 -0.24 -0.95 0.00 0.00 178.83 178.74 1lxk h VAL 252 N 0.48 0.18 -0.40 -0.54 3.04 -1.01 -1.83 116.25 116.17 1lxk h VAL 252 Ca -0.01 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1lxk h VAL 252 Cb 1.22 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1lxk h VAL 252 CO 0.12 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.07 1lxk n THR 253 N -3.28 1.69 -3.66 3.17 -2.24 -1.19 -1.20 114.28 107.57 1lxk n THR 253 Ca -0.02 -1.37 -0.39 0.00 -2.27 0.00 0.00 64.05 60.00 1lxk n THR 253 Cb 0.18 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 1lxk n THR 253 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1lxk s ASN 254 N -1.30 5.52 0.59 3.42 3.04 -0.69 -4.93 114.94 120.59 1lxk s ASN 254 Ca 0.38 -1.36 0.30 0.00 0.04 0.00 0.00 52.86 52.21 1lxk s ASN 254 Cb 0.26 -1.94 1.35 0.00 -1.54 0.00 0.00 41.25 39.37 1lxk s ASN 254 CO 0.16 -0.45 1.72 -0.65 -3.04 0.00 0.00 177.10 174.84 1lxk h PRO 255 N 8.33 0.00 -0.01 0.43 0.11 -1.90 0.27 132.00 139.23 1lxk h PRO 255 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1lxk h PRO 255 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1lxk h PRO 255 CO 0.69 0.00 -0.24 0.43 -0.21 0.00 0.00 178.00 178.67 1lxk n SER 256 N -3.64 1.28 -4.83 -2.05 7.64 -1.26 -4.90 113.62 105.86 1lxk n SER 256 Ca 0.15 -1.09 -0.34 0.00 1.01 0.00 0.00 58.87 58.59 1lxk n SER 256 Cb 1.00 0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 64.29 1lxk n SER 256 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1lxk s SER 257 N -2.41 6.94 0.20 6.43 0.15 0.95 -4.93 113.70 121.03 1lxk s SER 257 Ca 0.26 1.41 0.22 0.00 0.70 0.00 0.00 55.95 58.53 1lxk s SER 257 Cb 0.19 -2.42 0.90 0.00 -1.71 0.00 0.00 66.02 62.98 1lxk s SER 257 CO 0.49 -0.12 1.66 -2.11 1.20 0.00 0.00 173.24 174.36 1lxk n ARG 258 N 0.09 0.15 -0.40 5.44 1.85 -1.26 -1.76 116.66 120.77 1lxk n ARG 258 Ca 0.02 0.38 0.11 0.00 -1.00 0.00 0.00 57.85 57.35 1lxk n ARG 258 Cb 0.52 -1.79 0.31 0.00 -1.05 0.00 0.00 32.46 30.46 1lxk n ARG 258 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1lxk n TYR 259 N -2.07 1.02 -1.67 2.89 4.01 -1.26 -4.85 117.16 115.22 1lxk n TYR 259 Ca 0.03 -0.53 -0.43 0.00 -0.16 0.00 0.00 57.90 56.81 1lxk n TYR 259 Cb 0.22 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1lxk n TYR 259 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1lxk n TYR 260 N 1.39 2.50 -1.98 -0.72 9.36 -0.72 -1.81 117.16 125.18 1lxk n TYR 260 Ca 0.23 -0.27 -0.13 0.00 3.32 0.00 0.00 57.90 61.05 1lxk n TYR 260 Cb 0.66 -2.76 -0.03 0.00 -0.63 0.00 0.00 39.34 36.57 1lxk n TYR 260 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1lxk n GLN 261 N 6.98 -1.78 -2.01 2.98 6.02 -0.34 -4.89 117.38 124.34 1lxk n GLN 261 Ca 0.20 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.47 1lxk n GLN 261 Cb 0.38 -5.16 -0.03 0.00 1.02 0.00 0.00 30.24 26.45 1lxk n GLN 261 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lxk s ASP 262 N -2.07 6.67 0.29 1.08 3.68 -0.75 -4.89 116.67 120.68 1lxk s ASP 262 Ca 0.00 2.24 0.01 0.00 2.13 0.00 0.00 52.55 56.93 1lxk s ASP 262 Cb 0.00 -2.54 0.55 0.00 -1.45 0.00 0.00 42.92 39.48 1lxk s ASP 262 CO 0.00 -0.92 1.86 1.05 0.13 0.00 0.00 175.17 177.29 1lxk h GLU 263 N 9.45 0.98 -0.14 4.34 -0.00 -1.91 0.19 114.58 127.49 1lxk h GLU 263 Ca -0.39 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 58.89 1lxk h GLU 263 Cb 1.18 -0.22 -0.00 0.00 -0.00 0.00 0.00 28.75 29.70 1lxk h GLU 263 CO 0.95 0.65 -0.00 1.15 -0.00 0.00 0.00 179.01 181.76 1lxk h THR 264 N 1.01 1.26 -0.72 -1.06 2.02 -1.98 -1.45 112.91 111.98 1lxk h THR 264 Ca 0.47 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1lxk h THR 264 Cb 0.41 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1lxk h THR 264 CO -0.23 0.25 0.20 0.58 0.37 0.00 0.00 175.52 176.69 1lxk h VAL 265 N -0.02 1.26 -0.37 3.16 2.07 -1.71 -0.69 116.25 119.94 1lxk h VAL 265 Ca 0.04 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1lxk h VAL 265 Cb 0.38 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1lxk h VAL 265 CO 0.01 0.37 0.16 0.58 0.02 0.00 0.00 177.57 178.71 1lxk h VAL 266 N 1.08 1.18 -0.44 2.57 2.07 -0.61 -2.57 116.25 119.54 1lxk h VAL 266 Ca 0.23 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1lxk h VAL 266 Cb 0.34 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1lxk h VAL 266 CO -0.00 0.19 0.06 -0.09 0.02 0.00 0.00 177.57 177.75 1lxk h ARG 267 N 0.46 0.73 -0.21 1.57 2.43 -1.05 -2.30 114.38 116.00 1lxk h ARG 267 Ca 0.13 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1lxk h ARG 267 Cb 0.15 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1lxk h ARG 267 CO -0.01 0.77 -0.10 0.00 -1.51 0.00 0.00 179.97 179.11 1lxk h THR 268 N 0.59 1.19 0.22 0.20 1.03 -1.07 0.47 112.91 115.53 1lxk h THR 268 Ca 0.13 -0.82 -0.01 0.00 -0.01 0.00 0.00 66.41 65.70 1lxk h THR 268 Cb 0.40 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1lxk h THR 268 CO 0.01 0.26 -0.10 0.58 -0.01 0.00 0.00 175.52 176.26 1lxk h VAL 269 N 0.32 0.84 -0.49 0.00 2.07 -1.33 0.51 116.25 118.16 1lxk h VAL 269 Ca 0.07 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.82 1lxk h VAL 269 Cb 0.38 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1lxk h VAL 269 CO 0.02 0.17 0.21 0.03 0.02 0.00 0.00 177.57 178.02 1lxk h ARG 270 N -0.74 0.40 0.93 1.57 3.08 -1.25 0.26 114.38 118.64 1lxk h ARG 270 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1lxk h ARG 270 Cb 0.50 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1lxk h ARG 270 CO 0.05 0.27 -0.47 -0.44 -1.07 0.00 0.00 179.97 178.31 1lxk h ASP 271 N 0.41 -1.12 -1.00 7.04 5.19 -0.01 -2.37 116.42 124.57 1lxk h ASP 271 Ca 0.23 0.04 0.23 0.00 -0.62 0.00 0.00 57.03 56.91 1lxk h ASP 271 Cb 0.19 0.30 -0.09 0.00 0.18 0.00 0.00 39.33 39.91 1lxk h ASP 271 CO -0.20 -0.78 0.63 0.28 -3.12 0.00 0.00 179.24 176.06 1lxk h SER 272 N -1.27 0.54 -0.32 6.45 0.02 0.31 0.31 113.55 119.58 1lxk h SER 272 Ca -0.13 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1lxk h SER 272 Cb 0.98 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1lxk h SER 272 CO 0.20 0.16 0.17 0.24 -1.14 0.00 0.00 176.83 176.45 1lxk h MET 273 N 0.51 0.45 -0.24 3.45 2.86 -0.74 -0.39 114.93 120.83 1lxk h MET 273 Ca 0.57 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.14 1lxk h MET 273 Cb 1.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1lxk h MET 273 CO -0.30 0.39 0.10 1.49 1.06 0.00 0.00 176.91 179.65 1lxk h GLU 274 N 0.40 0.35 -0.06 1.72 4.57 0.04 0.26 114.58 121.85 1lxk h GLU 274 Ca 0.11 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1lxk h GLU 274 Cb 0.07 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1lxk h GLU 274 CO -0.02 0.38 0.02 2.35 -1.18 0.00 0.00 179.01 180.57 1lxk h TRP 275 N 0.23 0.10 -0.85 0.92 7.01 -0.90 0.47 115.95 122.94 1lxk h TRP 275 Ca 0.08 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.12 1lxk h TRP 275 Cb 0.16 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.14 1lxk h TRP 275 CO -0.01 0.24 0.53 0.52 -2.79 0.00 0.00 178.44 176.92 1lxk h MET 276 N -0.07 0.96 -0.56 2.65 2.86 -1.04 0.68 114.93 120.40 1lxk h MET 276 Ca 0.02 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1lxk h MET 276 Cb 0.18 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1lxk h MET 276 CO -0.00 0.63 -0.08 1.25 1.06 0.00 0.00 176.91 179.77 1lxk h HIS 277 N 0.99 1.16 0.23 -0.22 -0.00 -0.61 0.30 115.15 117.01 1lxk h HIS 277 Ca 0.36 -0.23 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 1lxk h HIS 277 Cb 0.12 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 1lxk h HIS 277 CO -0.03 1.06 -0.11 -0.22 -0.00 0.00 0.00 177.93 178.63 1lxk h LYS 278 N 0.93 -0.30 -0.00 5.26 3.64 0.82 -3.38 116.57 123.54 1lxk h LYS 278 Ca 0.15 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1lxk h LYS 278 Cb 0.65 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1lxk h LYS 278 CO 0.04 0.06 -0.91 0.72 -2.27 0.00 0.00 179.45 177.09 1lxk n HIS 279 N -5.04 0.00 0.00 1.91 8.25 0.15 -4.87 115.22 115.62 1lxk n HIS 279 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1lxk n HIS 279 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1lxk n HIS 279 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1lxk n VAL 280 N -1.29 0.00 -3.91 1.59 0.31 0.60 -5.05 118.33 110.59 1lxk n VAL 280 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.07 1lxk n VAL 280 Cb 0.34 -1.04 -0.15 0.00 -0.91 0.00 0.00 33.84 32.09 1lxk n VAL 280 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1lxk s TYR 281 N -1.98 2.95 0.11 3.52 5.04 0.74 -4.98 117.35 122.75 1lxk s TYR 281 Ca 0.00 -2.51 -0.08 0.00 -2.44 0.00 0.00 57.07 52.04 1lxk s TYR 281 Cb 0.00 -2.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.85 1lxk s TYR 281 CO 0.00 -0.92 0.19 0.54 -1.34 0.00 0.00 175.55 174.02 1lxk s ASN 282 N 1.16 0.15 0.45 4.32 4.22 -1.26 -4.35 114.94 119.63 1lxk s ASN 282 Ca 0.11 -0.78 0.22 0.00 -2.14 0.00 0.00 52.86 50.27 1lxk s ASN 282 Cb -0.18 0.35 1.21 0.00 1.28 0.00 0.00 41.25 43.91 1lxk s ASN 282 CO -0.15 -0.76 1.86 0.28 -2.04 0.00 0.00 177.10 176.29 1lxk h SER 283 N 2.74 0.28 0.00 3.54 0.02 -1.87 0.11 113.55 118.37 1lxk h SER 283 Ca -0.33 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1lxk h SER 283 Cb 1.20 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1lxk h SER 283 CO 0.55 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 175.72 1lxk n GLU 284 N -4.45 0.67 -3.43 3.45 1.02 -1.26 -4.79 120.64 111.86 1lxk n GLU 284 Ca 0.20 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.13 1lxk n GLU 284 Cb 0.80 -1.25 -0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1lxk n GLU 284 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1lxk s LYS 285 N -2.00 2.50 0.05 3.49 3.01 0.37 -5.14 119.74 122.03 1lxk s LYS 285 Ca 0.16 -1.59 0.04 0.00 -1.01 0.00 0.00 55.97 53.58 1lxk s LYS 285 Cb 0.08 -2.44 -0.03 0.00 -1.01 0.00 0.00 37.83 34.43 1lxk s LYS 285 CO 0.13 -0.40 -0.11 0.45 0.51 0.00 0.00 175.35 175.93 1lxk s SER 286 N -4.29 1.30 0.18 2.83 0.15 -1.26 -4.97 113.70 107.64 1lxk s SER 286 Ca 0.49 -0.56 -0.33 0.00 0.70 0.00 0.00 55.95 56.26 1lxk s SER 286 Cb -0.05 -0.02 -0.15 0.00 -1.71 0.00 0.00 66.02 64.09 1lxk s SER 286 CO 0.30 -0.11 1.30 -0.38 1.20 0.00 0.00 173.24 175.54 1lxk n ILE 287 N 1.47 0.71 -3.43 6.45 5.41 -1.26 -4.96 119.36 123.75 1lxk n ILE 287 Ca -0.21 -0.18 -0.18 0.00 1.00 0.00 0.00 62.75 63.18 1lxk n ILE 287 Cb 0.54 -1.09 -0.11 0.00 -0.71 0.00 0.00 39.64 38.28 1lxk n ILE 287 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1lxk s VAL 288 N 0.04 -0.37 0.00 1.39 0.11 -1.26 -5.06 120.40 115.25 1lxk s VAL 288 Ca 0.74 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1lxk s VAL 288 Cb -0.79 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.14 1lxk s VAL 288 CO 0.49 -0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1lxk n GLY 289 N 5.31 0.31 3.70 6.54 0.00 -1.26 -3.68 105.19 116.12 1lxk n GLY 289 Ca -0.03 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1lxk n GLY 289 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lxk s ASN 290 N -4.00 7.16 0.37 1.61 3.84 -1.26 -4.91 114.94 117.76 1lxk s ASN 290 Ca 0.00 1.84 0.05 0.00 0.21 0.00 0.00 52.86 54.96 1lxk s ASN 290 Cb 0.00 -2.57 0.73 0.00 -0.55 0.00 0.00 41.25 38.86 1lxk s ASN 290 CO 0.00 -0.44 1.98 4.11 -2.79 0.00 0.00 177.10 179.96 1lxk h TRP 291 N 6.97 0.55 -0.85 0.43 5.08 -1.97 -2.99 115.95 123.17 1lxk h TRP 291 Ca -0.39 -0.02 0.22 0.00 1.08 0.00 0.00 58.89 59.78 1lxk h TRP 291 Cb 1.20 -0.17 -0.14 0.00 -3.00 0.00 0.00 29.16 27.05 1lxk h TRP 291 CO 0.69 0.43 0.21 2.35 -1.28 0.00 0.00 178.44 180.84 1lxk h TRP 292 N 0.56 0.32 -0.28 0.12 7.01 -1.98 0.14 115.95 121.84 1lxk h TRP 292 Ca 0.14 0.05 -0.12 0.00 2.11 0.00 0.00 58.89 61.06 1lxk h TRP 292 Cb 0.10 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1lxk h TRP 292 CO 0.00 -0.19 -0.34 -0.44 -2.79 0.00 0.00 178.44 174.68 1lxk h ASP 293 N 0.22 0.63 0.75 2.65 3.32 -1.86 0.38 116.42 122.50 1lxk h ASP 293 Ca 0.52 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1lxk h ASP 293 Cb 1.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1lxk h ASP 293 CO -0.63 0.92 -0.40 1.88 -1.72 0.00 0.00 179.24 179.29 1lxk h TYR 294 N 0.51 0.00 0.00 4.55 -1.99 -0.87 -0.64 116.97 118.54 1lxk h TYR 294 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1lxk h TYR 294 Cb 0.83 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1lxk h TYR 294 CO 0.03 0.40 -1.10 0.39 -0.00 0.00 0.00 178.16 177.89 1lxk n GLU 295 N -3.63 0.40 0.05 4.88 1.02 -0.54 -4.64 120.64 118.19 1lxk n GLU 295 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1lxk n GLU 295 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1lxk n GLU 295 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1lxk n ILE 296 N -1.59 0.75 0.02 -3.67 5.41 0.12 -4.66 119.36 115.74 1lxk n ILE 296 Ca -0.01 0.25 -0.08 0.00 1.00 0.00 0.00 62.75 63.91 1lxk n ILE 296 Cb 0.09 -1.26 -0.05 0.00 -0.71 0.00 0.00 39.64 37.71 1lxk n ILE 296 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1lxk h GLY 297 N 0.00 -1.27 0.77 7.39 0.00 -1.24 -2.00 103.07 106.72 1lxk h GLY 297 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.97 1lxk h GLY 297 CO 0.00 -0.38 0.01 -0.84 0.00 0.00 0.00 176.54 175.32 1lxk h THR 298 N -0.34 1.19 -0.92 4.70 2.02 -1.35 -2.89 112.91 115.33 1lxk h THR 298 Ca 0.01 -0.58 0.14 0.00 0.77 0.00 0.00 66.41 66.75 1lxk h THR 298 Cb 0.37 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 1lxk h THR 298 CO -0.19 0.15 0.59 -0.65 0.37 0.00 0.00 175.52 175.79 1lxk h PRO 299 N -0.19 0.74 -0.24 6.66 0.11 -1.73 -0.56 132.00 136.80 1lxk h PRO 299 Ca 0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1lxk h PRO 299 Cb 0.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1lxk h PRO 299 CO 0.00 0.49 0.08 0.00 -0.21 0.00 0.00 178.00 178.36 1lxk h ARG 300 N 0.76 0.37 -0.65 1.05 3.08 -1.29 -0.83 114.38 116.87 1lxk h ARG 300 Ca 0.46 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 1lxk h ARG 300 Cb 0.67 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1lxk h ARG 300 CO -0.22 0.45 0.36 0.00 -1.07 0.00 0.00 179.97 179.48 1lxk h ALA 301 N 0.90 1.40 -0.10 0.04 0.00 -1.10 -1.33 119.26 119.07 1lxk h ALA 301 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1lxk h ALA 301 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1lxk h ALA 301 CO -0.00 0.49 -0.10 0.82 0.00 0.00 0.00 179.25 180.46 1lxk h ILE 302 N 0.90 1.35 -0.07 0.00 2.04 -0.91 -1.45 117.51 119.38 1lxk h ILE 302 Ca 0.23 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.88 1lxk h ILE 302 Cb 0.02 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1lxk h ILE 302 CO -0.04 0.35 -0.12 0.78 0.00 0.00 0.00 178.15 179.12 1lxk h ASN 303 N -0.15 -0.36 -0.86 1.72 2.35 -0.95 0.38 115.58 117.71 1lxk h ASN 303 Ca 0.02 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1lxk h ASN 303 Cb 0.61 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.10 1lxk h ASN 303 CO 0.02 -0.16 0.57 0.78 -1.65 0.00 0.00 177.43 176.99 1lxk h ASN 304 N -0.17 0.98 -0.35 5.81 4.21 -1.27 0.33 115.58 125.12 1lxk h ASN 304 Ca 0.07 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.50 1lxk h ASN 304 Cb 0.26 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1lxk h ASN 304 CO -0.17 0.70 0.00 0.74 -1.29 0.00 0.00 177.43 177.41 1lxk h THR 305 N 1.15 1.26 -0.18 2.81 2.02 -0.86 -0.25 112.91 118.86 1lxk h THR 305 Ca 0.32 -0.97 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 1lxk h THR 305 Cb -0.10 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1lxk h THR 305 CO -0.08 0.32 -0.44 -0.07 0.37 0.00 0.00 175.52 175.62 1lxk h LEU 306 N 0.43 0.46 -0.15 2.58 3.38 -0.62 -1.99 115.31 119.40 1lxk h LEU 306 Ca 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1lxk h LEU 306 Cb 0.45 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1lxk h LEU 306 CO 0.02 0.84 -0.03 -1.28 0.09 0.00 0.00 178.44 178.08 1lxk h SER 307 N 0.35 0.28 -0.57 -0.43 0.87 -0.18 0.29 113.55 114.17 1lxk h SER 307 Ca 0.03 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1lxk h SER 307 Cb 0.91 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1lxk h SER 307 CO 0.08 0.58 0.23 -0.07 -0.53 0.00 0.00 176.83 177.12 1lxk h LEU 308 N -0.02 0.80 -3.79 2.23 3.38 -1.01 -3.15 115.31 113.75 1lxk h LEU 308 Ca 0.04 -0.17 -0.40 0.00 0.09 0.00 0.00 57.88 57.44 1lxk h LEU 308 Cb 0.46 -0.21 -0.24 0.00 0.09 0.00 0.00 40.66 40.76 1lxk h LEU 308 CO 0.01 0.75 0.41 0.23 0.09 0.00 0.00 178.44 179.94 1lxk n MET 309 N -4.48 2.20 0.30 1.13 2.81 -0.75 -4.63 117.12 113.70 1lxk n MET 309 Ca 0.03 -3.07 0.18 0.00 -1.81 0.00 0.00 57.70 53.03 1lxk n MET 309 Cb 0.17 -2.07 0.99 0.00 -0.71 0.00 0.00 33.22 31.59 1lxk n MET 309 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1lxk h LYS 310 N 1.09 0.00 0.00 0.03 2.10 -0.89 0.73 116.57 119.63 1lxk h LYS 310 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1lxk h LYS 310 Cb 2.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.81 1lxk h LYS 310 CO 0.87 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.71 1lxk n GLU 311 N -3.59 0.83 0.00 0.07 1.02 -1.26 -2.88 120.64 114.83 1lxk n GLU 311 Ca -0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1lxk n GLU 311 Cb 0.13 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1lxk n GLU 311 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1lxk n TYR 312 N -1.04 0.00 -4.53 -0.32 4.01 0.23 -5.02 117.16 110.49 1lxk n TYR 312 Ca 0.20 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.64 1lxk n TYR 312 Cb 0.12 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.03 1lxk n TYR 312 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1lxk s PHE 313 N -0.83 2.61 0.38 -0.72 0.08 -1.13 -5.09 117.98 113.29 1lxk s PHE 313 Ca 0.01 -0.22 -0.22 0.00 0.12 0.00 0.00 56.93 56.62 1lxk s PHE 313 Cb 0.01 -1.46 -0.10 0.00 -0.57 0.00 0.00 43.02 40.90 1lxk s PHE 313 CO 0.06 0.31 0.92 -1.54 -0.10 0.00 0.00 175.22 174.86 1lxk s SER 314 N -1.63 7.05 0.49 1.36 1.04 -1.26 -4.90 113.70 115.85 1lxk s SER 314 Ca 0.16 1.68 0.21 0.00 0.48 0.00 0.00 55.95 58.48 1lxk s SER 314 Cb -0.11 -2.53 1.24 0.00 0.10 0.00 0.00 66.02 64.73 1lxk s SER 314 CO 0.07 -0.24 1.97 0.44 0.98 0.00 0.00 173.24 176.47 1lxk h ASP 315 N 2.40 0.17 -0.21 7.02 3.32 -1.97 0.14 116.42 127.28 1lxk h ASP 315 Ca -0.48 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 1lxk h ASP 315 Cb 1.18 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1lxk h ASP 315 CO 0.63 0.09 -0.53 -0.08 -1.72 0.00 0.00 179.24 177.62 1lxk h GLU 316 N 0.18 0.80 -0.34 3.56 4.22 -1.99 -2.27 114.58 118.74 1lxk h GLU 316 Ca 0.29 -0.50 -0.12 0.00 0.08 0.00 0.00 59.36 59.11 1lxk h GLU 316 Cb 0.88 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1lxk h GLU 316 CO -0.05 1.13 -0.26 0.93 -2.18 0.00 0.00 179.01 178.58 1lxk h GLU 317 N 0.61 0.69 0.22 1.92 5.08 -1.19 -1.08 114.58 120.83 1lxk h GLU 317 Ca 0.02 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1lxk h GLU 317 Cb 1.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1lxk h GLU 317 CO 0.12 0.88 -0.10 0.82 -1.00 0.00 0.00 179.01 179.72 1lxk h ILE 318 N 0.60 0.80 -0.16 3.13 2.04 -0.90 0.05 117.51 123.05 1lxk h ILE 318 Ca 0.08 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1lxk h ILE 318 Cb 0.76 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1lxk h ILE 318 CO 0.06 0.01 -0.13 0.11 0.00 0.00 0.00 178.15 178.19 1lxk h LYS 319 N -0.31 -0.14 -0.68 2.37 6.56 -1.31 -0.90 116.57 122.16 1lxk h LYS 319 Ca -0.03 0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.72 1lxk h LYS 319 Cb 0.23 0.03 -0.11 0.00 -0.57 0.00 0.00 32.23 31.82 1lxk h LYS 319 CO 0.05 -0.09 0.09 -0.22 -2.06 0.00 0.00 179.45 177.21 1lxk h LYS 320 N -0.15 0.19 0.00 3.15 3.64 -0.84 -0.38 116.57 122.17 1lxk h LYS 320 Ca 0.10 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1lxk h LYS 320 Cb 0.30 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1lxk h LYS 320 CO -0.25 0.12 -0.05 1.88 -2.27 0.00 0.00 179.45 178.88 1lxk h TYR 321 N 0.19 0.00 -0.02 1.91 0.05 -0.28 -3.14 116.97 115.67 1lxk h TYR 321 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1lxk h TYR 321 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 1lxk h TYR 321 CO -0.32 0.05 -0.16 0.25 -1.05 0.00 0.00 178.16 176.94 1lxk n THR 322 N -3.12 0.00 -0.00 -2.88 -2.24 -0.41 -4.37 114.28 101.26 1lxk n THR 322 Ca 0.03 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1lxk n THR 322 Cb 0.50 1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.99 1lxk n THR 322 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1lxk h ASP 323 N 3.67 -0.21 -0.38 3.42 3.45 -1.05 -1.24 116.42 124.09 1lxk h ASP 323 Ca 0.00 0.05 0.11 0.00 0.43 0.00 0.00 57.03 57.62 1lxk h ASP 323 Cb 0.86 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.73 1lxk h ASP 323 CO 0.00 -0.09 0.30 1.62 -1.57 0.00 0.00 179.24 179.50 1lxk h VAL 324 N -0.06 0.69 -0.37 -1.35 3.04 -1.78 0.56 116.25 116.98 1lxk h VAL 324 Ca 0.07 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.61 1lxk h VAL 324 Cb 0.16 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 1lxk h VAL 324 CO -0.15 0.00 -0.35 0.40 -1.01 0.00 0.00 177.57 176.46 1lxk h ILE 325 N 0.00 1.28 0.00 3.17 2.04 -1.50 -2.44 117.51 120.06 1lxk h ILE 325 Ca 0.18 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 1lxk h ILE 325 Cb 0.77 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1lxk h ILE 325 CO -0.00 0.50 -0.45 -0.33 0.00 0.00 0.00 178.15 177.87 1lxk h GLU 326 N 0.70 0.00 -0.20 2.37 4.39 -0.56 0.11 114.58 121.39 1lxk h GLU 326 Ca 0.07 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1lxk h GLU 326 Cb 0.91 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1lxk h GLU 326 CO 0.08 0.45 -0.32 -0.22 -1.16 0.00 0.00 179.01 177.85 1lxk h LYS 327 N 0.00 0.58 0.13 2.33 3.11 -1.13 -2.94 116.57 118.65 1lxk h LYS 327 Ca -0.00 -0.35 -0.29 0.00 -2.81 0.00 0.00 60.65 57.20 1lxk h LYS 327 Cb 0.85 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1lxk h LYS 327 CO 0.06 0.96 -1.35 0.74 -2.81 0.00 0.00 179.45 177.05 1lxk h PHE 328 N 0.25 0.50 -2.20 1.91 0.04 -1.37 -3.40 116.94 112.69 1lxk h PHE 328 Ca 0.02 -0.37 -0.59 0.00 2.80 0.00 0.00 57.97 59.83 1lxk h PHE 328 Cb 0.91 -0.02 -0.42 0.00 2.20 0.00 0.00 35.95 38.62 1lxk h PHE 328 CO 0.09 1.33 -0.66 0.28 -0.60 0.00 0.00 178.31 178.74 1lxk n VAL 329 N -3.51 2.27 0.04 -0.55 0.31 0.37 -4.32 118.33 112.93 1lxk n VAL 329 Ca -0.11 -5.22 -0.14 0.00 -0.01 0.00 0.00 64.34 58.86 1lxk n VAL 329 Cb 1.03 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 1lxk n VAL 329 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1lxk h PRO 330 N 3.79 0.54 -5.10 5.55 0.13 -1.72 -3.43 132.00 131.75 1lxk h PRO 330 Ca 0.17 -0.50 -0.63 0.00 -0.87 0.00 0.00 66.00 64.17 1lxk h PRO 330 Cb 0.64 0.12 -0.15 0.00 0.13 0.00 0.00 31.00 31.74 1lxk h PRO 330 CO 0.80 1.13 -0.33 0.34 -0.23 0.00 0.00 178.00 179.70 1lxk s ASP 331 N -7.08 6.19 0.00 1.44 2.15 -1.26 -4.95 116.67 113.16 1lxk s ASP 331 Ca -0.07 0.21 0.21 0.00 0.43 0.00 0.00 52.55 53.33 1lxk s ASP 331 Cb 0.09 -2.18 1.02 0.00 -0.30 0.00 0.00 42.92 41.55 1lxk s ASP 331 CO 0.87 -0.12 1.69 -0.81 -0.17 0.00 0.00 175.17 176.62 1lxk n PRO 332 N 5.14 0.19 -0.00 4.34 -0.04 -1.26 -2.91 135.00 140.46 1lxk n PRO 332 Ca -0.10 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1lxk n PRO 332 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1lxk n PRO 332 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1lxk n GLU 333 N -1.37 1.29 -4.03 0.54 1.02 -1.26 -4.87 120.64 111.97 1lxk n GLU 333 Ca 0.08 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 1lxk n GLU 333 Cb 0.20 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 1lxk n GLU 333 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1lxk s HIS 334 N -2.70 0.37 0.32 -0.32 3.76 -1.14 -1.29 115.29 114.29 1lxk s HIS 334 Ca 0.04 -0.25 0.08 0.00 -0.15 0.00 0.00 55.06 54.78 1lxk s HIS 334 Cb 0.12 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 1lxk s HIS 334 CO 0.69 -0.06 0.20 -0.06 -0.85 0.00 0.00 174.74 174.66 1lxk s PHE 335 N -0.65 2.84 -1.38 1.40 0.08 -0.21 -4.49 117.98 115.57 1lxk s PHE 335 Ca -0.05 -0.30 -0.08 0.00 0.12 0.00 0.00 56.93 56.62 1lxk s PHE 335 Cb -0.05 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1lxk s PHE 335 CO -0.00 0.32 1.09 0.54 -0.10 0.00 0.00 175.22 177.07 1lxk n ARG 336 N -1.22 -7.05 0.17 0.44 1.74 -1.26 -1.86 116.66 107.62 1lxk n ARG 336 Ca -0.03 0.76 0.03 0.00 -0.77 0.00 0.00 57.85 57.84 1lxk n ARG 336 Cb 0.60 -5.75 0.31 0.00 -1.02 0.00 0.00 32.46 26.60 1lxk n ARG 336 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1lxk h LYS 337 N -2.41 0.00 -0.00 5.56 1.63 -1.81 -2.63 116.57 116.91 1lxk h LYS 337 Ca -0.58 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.22 1lxk h LYS 337 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1lxk h LYS 337 CO 0.58 0.45 -0.04 0.25 -3.45 0.00 0.00 179.45 177.24 1lxk n THR 338 N -3.78 0.00 -2.56 1.00 -2.24 -1.26 -4.85 114.28 100.59 1lxk n THR 338 Ca -0.01 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 1lxk n THR 338 Cb 0.50 -0.37 0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1lxk n THR 338 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1lxk n THR 339 N -1.18 0.00 1.04 4.28 -2.24 -1.00 -5.00 114.28 110.18 1lxk n THR 339 Ca 0.15 -1.24 0.13 0.00 -2.27 0.00 0.00 64.05 60.82 1lxk n THR 339 Cb 0.25 -0.98 0.43 0.00 -2.10 0.00 0.00 70.33 67.93 1lxk n THR 339 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1lxk n ASP 340 N -2.91 0.31 -3.27 3.42 10.43 -1.26 -4.53 116.55 118.74 1lxk n ASP 340 Ca 0.13 0.01 -0.22 0.00 2.57 0.00 0.00 54.79 57.28 1lxk n ASP 340 Cb 0.46 -0.08 -0.08 0.00 1.84 0.00 0.00 41.12 43.26 1lxk n ASP 340 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1lxk s ASN 341 N -2.95 0.90 0.41 -2.24 6.03 -1.26 -5.13 114.94 110.70 1lxk s ASN 341 Ca 0.14 -2.73 -0.23 0.00 -1.03 0.00 0.00 52.86 49.01 1lxk s ASN 341 Cb 0.18 0.05 -0.10 0.00 -3.03 0.00 0.00 41.25 38.36 1lxk s ASN 341 CO 0.61 -0.16 1.00 -2.84 -2.03 0.00 0.00 177.10 173.69 1lxk s PRO 342 N 0.30 4.20 0.22 3.55 0.02 -1.20 -4.91 135.00 137.19 1lxk s PRO 342 Ca 0.31 1.36 0.10 0.00 0.02 0.00 0.00 61.00 62.78 1lxk s PRO 342 Cb 0.01 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 1lxk s PRO 342 CO -0.16 -0.08 -0.08 -0.59 -0.33 0.00 0.00 177.00 175.76 1lxk s PHE 343 N -1.83 2.60 0.04 6.54 -0.12 -0.78 -4.91 117.98 119.52 1lxk s PHE 343 Ca 0.59 -0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 56.92 1lxk s PHE 343 Cb -0.17 -1.22 -0.05 0.00 -0.63 0.00 0.00 43.02 40.95 1lxk s PHE 343 CO 0.22 0.57 1.14 0.21 -0.05 0.00 0.00 175.22 177.31 1lxk s LYS 344 N -3.17 4.46 -0.04 1.99 2.20 -1.26 -1.04 119.74 122.87 1lxk s LYS 344 Ca 0.27 1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 57.26 1lxk s LYS 344 Cb -0.08 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1lxk s LYS 344 CO 0.16 -0.22 1.27 0.00 -0.36 0.00 0.00 175.35 176.21 1lxk s ALA 345 N 1.11 3.53 0.15 3.13 0.00 -0.41 -4.89 121.76 124.37 1lxk s ALA 345 Ca 0.57 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 1lxk s ALA 345 Cb -0.27 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1lxk s ALA 345 CO 0.28 -0.84 0.08 -0.51 0.00 0.00 0.00 175.76 174.77 1lxk s LEU 346 N 2.37 1.59 0.00 0.00 1.43 -1.26 -4.55 118.68 118.26 1lxk s LEU 346 Ca 0.58 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1lxk s LEU 346 Cb -0.27 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.31 1lxk s LEU 346 CO 0.23 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.66 1lxk n GLY 347 N -0.14 2.67 0.21 -3.19 0.00 -1.26 -1.99 105.19 101.49 1lxk n GLY 347 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1lxk n GLY 347 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1lxk h GLY 348 N 0.00 0.62 0.70 -0.02 0.00 -1.93 -1.84 103.07 100.61 1lxk h GLY 348 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.40 1lxk h GLY 348 CO 0.00 -0.11 0.53 3.43 0.00 0.00 0.00 176.54 180.39 1lxk h ASN 349 N 0.20 0.82 -0.87 0.19 -0.26 -1.77 -0.74 115.58 113.15 1lxk h ASN 349 Ca 0.27 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1lxk h ASN 349 Cb 0.39 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.46 1lxk h ASN 349 CO -0.38 0.52 0.47 0.25 -1.06 0.00 0.00 177.43 177.22 1lxk h LEU 350 N 0.95 1.10 -0.50 1.61 5.85 -0.71 -0.12 115.31 123.49 1lxk h LEU 350 Ca 0.38 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1lxk h LEU 350 Cb 0.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1lxk h LEU 350 CO -0.18 0.89 0.01 0.58 -0.34 0.00 0.00 178.44 179.40 1lxk h VAL 351 N 1.23 1.26 -0.05 1.05 2.07 -0.58 -2.29 116.25 118.94 1lxk h VAL 351 Ca 0.31 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1lxk h VAL 351 Cb 0.04 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1lxk h VAL 351 CO -0.05 0.38 -0.31 0.44 0.02 0.00 0.00 177.57 178.05 1lxk h ASP 352 N 0.75 0.09 0.00 0.57 3.32 -0.88 -0.66 116.42 119.62 1lxk h ASP 352 Ca 0.14 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1lxk h ASP 352 Cb 0.50 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1lxk h ASP 352 CO 0.02 0.41 -0.02 -0.03 -1.72 0.00 0.00 179.24 177.90 1lxk h MET 353 N 0.09 0.05 0.13 3.56 4.05 -0.46 0.25 114.93 122.60 1lxk h MET 353 Ca 0.01 -0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.12 1lxk h MET 353 Cb 0.60 -0.01 0.03 0.00 -0.80 0.00 0.00 31.60 31.41 1lxk h MET 353 CO 0.04 0.07 -1.27 0.78 0.23 0.00 0.00 176.91 176.77 1lxk h GLY 354 N 0.17 0.68 2.00 1.39 0.00 -0.79 0.42 103.07 106.94 1lxk h GLY 354 Ca 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 47.33 45.90 1lxk h GLY 354 CO 0.00 1.27 0.00 0.54 0.00 0.00 0.00 176.54 178.35 1lxk n ARG 355 N -3.77 0.00 -0.06 4.80 1.74 -0.62 -0.44 116.66 118.31 1lxk n ARG 355 Ca -0.14 0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 1lxk n ARG 355 Cb 1.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.92 1lxk n ARG 355 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1lxk n VAL 356 N -1.50 1.03 0.09 1.55 0.31 -0.02 -4.40 118.33 115.39 1lxk n VAL 356 Ca 0.04 0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1lxk n VAL 356 Cb 0.19 -2.10 -0.04 0.00 -0.91 0.00 0.00 33.84 30.98 1lxk n VAL 356 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1lxk h LYS 357 N -0.70 0.00 -0.14 5.55 1.57 -0.93 -1.76 116.57 120.17 1lxk h LYS 357 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1lxk h LYS 357 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1lxk h LYS 357 CO 0.00 0.83 -0.26 0.28 -0.57 0.00 0.00 179.45 179.73 1lxk h VAL 358 N 0.00 1.37 0.10 0.50 2.07 -0.92 0.21 116.25 119.57 1lxk h VAL 358 Ca -0.01 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1lxk h VAL 358 Cb 1.58 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1lxk h VAL 358 CO 0.11 0.45 -0.05 0.40 0.02 0.00 0.00 177.57 178.50 1lxk h ILE 359 N 0.02 1.11 -0.86 4.57 1.08 -1.66 0.23 117.51 122.01 1lxk h ILE 359 Ca 0.01 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 63.74 1lxk h ILE 359 Cb 0.85 1.62 -0.06 0.00 -3.07 0.00 0.00 36.82 36.17 1lxk h ILE 359 CO 0.06 0.20 0.56 0.00 -0.69 0.00 0.00 178.15 178.27 1lxk h ALA 360 N 0.34 1.61 -0.79 1.87 0.00 -1.39 0.34 119.26 121.24 1lxk h ALA 360 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1lxk h ALA 360 Cb 0.42 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1lxk h ALA 360 CO 0.02 0.23 0.38 0.78 0.00 0.00 0.00 179.25 180.67 1lxk h GLY 361 N 0.90 1.22 0.94 0.00 0.00 -0.30 -0.45 103.07 105.38 1lxk h GLY 361 Ca 0.38 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1lxk h GLY 361 CO -0.15 0.58 0.04 1.41 0.00 0.00 0.00 176.54 178.42 1lxk h LEU 362 N 1.12 0.65 -1.11 3.11 3.38 0.15 -0.63 115.31 121.98 1lxk h LEU 362 Ca 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1lxk h LEU 362 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1lxk h LEU 362 CO -0.03 0.77 0.27 -0.07 0.09 0.00 0.00 178.44 179.47 1lxk h LEU 363 N 0.51 0.82 -0.57 1.67 3.38 -0.14 -2.37 115.31 118.61 1lxk h LEU 363 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1lxk h LEU 363 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1lxk h LEU 363 CO 0.01 0.72 -0.11 0.54 0.09 0.00 0.00 178.44 179.69 1lxk n ARG 364 N -4.33 1.12 -2.28 1.13 1.74 -0.21 -4.79 116.66 109.04 1lxk n ARG 364 Ca 0.06 -0.57 -0.20 0.00 -0.77 0.00 0.00 57.85 56.36 1lxk n ARG 364 Cb 0.15 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 1lxk n ARG 364 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1lxk n LYS 365 N -0.44 -1.71 -3.06 5.56 5.02 -0.45 -4.93 118.16 118.16 1lxk n LYS 365 Ca 0.16 0.99 -0.42 0.00 -2.02 0.00 0.00 58.31 57.02 1lxk n LYS 365 Cb 0.32 -5.61 -0.06 0.00 -0.02 0.00 0.00 35.03 29.66 1lxk n LYS 365 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lxk s ASP 366 N -2.15 6.42 0.06 4.39 -1.08 -0.37 -4.96 116.67 118.98 1lxk s ASP 366 Ca 0.00 0.03 -0.15 0.00 -0.52 0.00 0.00 52.55 51.91 1lxk s ASP 366 Cb 0.00 -2.35 -0.27 0.00 -1.46 0.00 0.00 42.92 38.84 1lxk s ASP 366 CO 0.00 -0.72 1.13 0.44 0.52 0.00 0.00 175.17 176.54 1lxk h ASP 367 N 8.65 0.90 -0.87 -0.34 3.32 -1.92 -3.08 116.42 123.09 1lxk h ASP 367 Ca -0.26 -0.79 0.01 0.00 0.02 0.00 0.00 57.03 56.01 1lxk h ASP 367 Cb 1.10 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1lxk h ASP 367 CO 0.88 1.60 0.57 -0.61 -1.72 0.00 0.00 179.24 179.95 1lxk h GLN 368 N 0.32 1.15 -0.64 3.56 -0.00 -1.98 -1.75 115.11 115.76 1lxk h GLN 368 Ca -0.17 -0.08 0.02 0.00 -0.00 0.00 0.00 58.65 58.42 1lxk h GLN 368 Cb 1.86 -0.26 -0.04 0.00 0.00 0.00 0.00 27.48 29.04 1lxk h GLN 368 CO 0.23 0.77 0.41 1.49 0.00 0.00 0.00 178.83 181.73 1lxk h GLU 369 N 1.18 0.80 0.81 1.69 4.81 -1.95 -1.13 114.58 120.79 1lxk h GLU 369 Ca 0.32 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1lxk h GLU 369 Cb -0.12 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.09 1lxk h GLU 369 CO -0.07 0.53 -0.39 0.82 -0.73 0.00 0.00 179.01 179.17 1lxk h ILE 370 N 0.82 0.12 -0.48 2.32 2.04 -1.33 -1.93 117.51 119.07 1lxk h ILE 370 Ca 0.25 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 66.08 1lxk h ILE 370 Cb -0.03 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 1lxk h ILE 370 CO -0.08 0.01 0.08 0.77 0.00 0.00 0.00 178.15 178.92 1lxk h SER 371 N -1.19 -0.04 0.49 1.72 4.64 -1.23 -0.85 113.55 117.09 1lxk h SER 371 Ca -0.11 0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1lxk h SER 371 Cb 0.85 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1lxk h SER 371 CO 0.18 0.01 -0.50 0.77 -0.87 0.00 0.00 176.83 176.42 1lxk h SER 372 N 0.20 0.01 -0.06 4.97 4.64 -1.25 -0.68 113.55 121.38 1lxk h SER 372 Ca 0.24 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.43 1lxk h SER 372 Cb 0.33 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1lxk h SER 372 CO -0.34 0.50 -0.48 0.74 -0.87 0.00 0.00 176.83 176.38 1lxk h THR 373 N 0.01 1.40 -0.26 2.95 2.02 -0.85 -0.46 112.91 117.72 1lxk h THR 373 Ca -0.00 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 1lxk h THR 373 Cb 0.88 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1lxk h THR 373 CO 0.07 0.55 0.16 0.40 0.37 0.00 0.00 175.52 177.07 1lxk h ILE 374 N -0.02 1.09 -0.56 3.11 2.04 -1.10 0.67 117.51 122.75 1lxk h ILE 374 Ca -0.04 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1lxk h ILE 374 Cb 1.15 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1lxk h ILE 374 CO 0.10 0.09 0.25 0.03 0.00 0.00 0.00 178.15 178.62 1lxk h ARG 375 N 0.33 0.45 -0.55 2.37 3.08 -1.13 0.11 114.38 119.03 1lxk h ARG 375 Ca 0.09 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1lxk h ARG 375 Cb 0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1lxk h ARG 375 CO -0.02 0.30 0.17 1.03 -1.07 0.00 0.00 179.97 180.38 1lxk h SER 376 N 0.47 0.76 0.08 7.04 0.87 -0.24 -2.75 113.55 119.78 1lxk h SER 376 Ca 0.26 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1lxk h SER 376 Cb 0.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1lxk h SER 376 CO -0.22 0.73 -0.37 0.40 -0.53 0.00 0.00 176.83 176.84 1lxk h ILE 377 N 0.80 1.29 -0.06 2.23 2.04 0.22 -3.05 117.51 120.98 1lxk h ILE 377 Ca 0.18 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.60 1lxk h ILE 377 Cb 0.24 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1lxk h ILE 377 CO -0.01 0.45 0.34 -0.33 0.00 0.00 0.00 178.15 178.60 1lxk h GLU 378 N 0.33 0.00 0.00 2.37 5.08 -0.56 -0.88 114.58 120.92 1lxk h GLU 378 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1lxk h GLU 378 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1lxk h GLU 378 CO 0.06 0.00 -0.10 1.96 -1.00 0.00 0.00 179.01 179.94 1lxk h GLN 379 N 0.00 0.00 0.00 2.33 1.08 -1.66 -2.84 115.11 114.02 1lxk h GLN 379 Ca 0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1lxk h GLN 379 Cb 0.71 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1lxk h GLN 379 CO -0.00 0.10 -0.07 -0.24 -0.95 0.00 0.00 178.83 177.67 1lxk h VAL 380 N 0.00 0.41 -0.02 -0.54 3.04 -1.39 -2.39 116.25 115.36 1lxk h VAL 380 Ca -0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1lxk h VAL 380 Cb 0.44 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1lxk h VAL 380 CO 0.01 0.07 0.00 0.49 -1.01 0.00 0.00 177.57 177.13 1lxk n PHE 381 N -3.52 0.03 -3.57 3.17 3.72 -1.07 -4.79 117.46 111.43 1lxk n PHE 381 Ca -0.02 -0.02 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 1lxk n PHE 381 Cb 0.20 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.65 1lxk n PHE 381 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1lxk s LYS 382 N -1.97 4.15 0.32 -1.08 1.02 -0.90 -4.82 119.74 116.45 1lxk s LYS 382 Ca 0.02 -0.06 -0.26 0.00 0.02 0.00 0.00 55.97 55.68 1lxk s LYS 382 Cb 0.01 -3.51 -0.10 0.00 -0.52 0.00 0.00 37.83 33.71 1lxk s LYS 382 CO 0.01 0.09 0.94 -0.51 -0.92 0.00 0.00 175.35 174.96 1lxk s LEU 383 N 0.95 4.34 0.32 3.17 1.43 -1.26 -4.59 118.68 123.05 1lxk s LEU 383 Ca 0.12 1.83 0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1lxk s LEU 383 Cb -0.13 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 1lxk s LEU 383 CO 0.05 -0.07 -0.02 0.68 0.23 0.00 0.00 176.35 177.22 1lxk s VAL 384 N -1.62 2.70 -0.02 -1.59 -7.23 0.33 -5.00 120.40 107.97 1lxk s VAL 384 Ca 0.50 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 1lxk s VAL 384 Cb -0.18 -2.74 0.05 0.00 0.56 0.00 0.00 36.38 34.06 1lxk s VAL 384 CO 0.24 -0.24 0.96 -0.90 -0.31 0.00 0.00 175.10 174.85 1lxk n ASP 385 N -0.90 1.76 -3.59 4.85 5.75 -1.26 -4.24 116.55 118.91 1lxk n ASP 385 Ca -0.05 -2.06 -0.08 0.00 -0.01 0.00 0.00 54.79 52.59 1lxk n ASP 385 Cb 0.62 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.58 1lxk n ASP 385 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1lxk s GLN 386 N -1.16 0.48 1.92 0.11 0.74 -1.26 -5.14 119.66 115.35 1lxk s GLN 386 Ca 0.05 0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.55 1lxk s GLN 386 Cb 0.05 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.38 1lxk s GLN 386 CO 0.00 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 1lxk n GLY 387 N 0.61 -1.48 3.79 2.59 0.00 -1.26 -4.87 105.19 104.57 1lxk n GLY 387 Ca -0.08 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1lxk n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lxk s GLU 388 N 0.00 4.50 0.00 1.61 2.02 -1.26 -4.69 118.70 120.87 1lxk s GLU 388 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.25 1lxk s GLU 388 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1lxk s GLU 388 CO 0.00 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1lxk n GLY 389 N 0.35 0.86 3.81 -1.39 0.00 0.33 -4.89 105.19 104.25 1lxk n GLY 389 Ca 0.03 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 1lxk n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lxk s PHE 390 N -1.25 3.79 0.33 1.61 0.08 -1.26 -1.29 117.98 119.99 1lxk s PHE 390 Ca 0.00 1.37 0.08 0.00 0.12 0.00 0.00 56.93 58.50 1lxk s PHE 390 Cb 0.00 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 1lxk s PHE 390 CO 0.00 0.51 0.15 0.71 -0.10 0.00 0.00 175.22 176.49 1lxk s TYR 391 N -1.23 2.73 0.27 0.36 1.51 0.15 -0.51 117.35 120.63 1lxk s TYR 391 Ca 0.34 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1lxk s TYR 391 Cb -0.20 -1.63 0.45 0.00 -0.11 0.00 0.00 41.96 40.47 1lxk s TYR 391 CO 0.21 0.34 1.85 1.96 -1.11 0.00 0.00 175.55 178.81 1lxk h GLN 392 N 1.53 1.00 0.00 -0.62 1.08 -1.88 -0.72 115.11 115.50 1lxk h GLN 392 Ca -0.44 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1lxk h GLN 392 Cb 1.25 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 1lxk h GLN 392 CO 0.63 0.66 0.00 -0.40 -0.95 0.00 0.00 178.83 178.77 1lxk n ASP 393 N -4.59 0.00 0.00 1.46 5.68 -1.26 -4.87 116.55 112.97 1lxk n ASP 393 Ca 0.16 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1lxk n ASP 393 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1lxk n ASP 393 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lxk n GLY 394 N 0.65 0.73 3.75 6.12 0.00 -0.28 -4.62 105.19 111.53 1lxk n GLY 394 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1lxk n GLY 394 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lxk s SER 395 N -2.02 4.64 -0.07 1.61 0.01 -1.26 -4.06 113.70 112.55 1lxk s SER 395 Ca 0.00 2.16 -0.02 0.00 1.31 0.00 0.00 55.95 59.40 1lxk s SER 395 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1lxk s SER 395 CO 0.00 -1.95 0.04 -0.47 0.41 0.00 0.00 173.24 171.26 1lxk s TYR 396 N -2.19 0.36 -0.03 2.43 6.14 -1.26 0.32 117.35 123.12 1lxk s TYR 396 Ca 0.70 -0.00 0.02 0.00 0.64 0.00 0.00 57.07 58.43 1lxk s TYR 396 Cb -0.24 -0.65 -0.03 0.00 0.42 0.00 0.00 41.96 41.45 1lxk s TYR 396 CO 0.44 -0.29 -0.06 0.42 0.64 0.00 0.00 175.55 176.70 1lxk s ILE 397 N 2.07 3.77 0.20 3.14 -1.09 -0.41 -1.47 121.20 127.41 1lxk s ILE 397 Ca 0.05 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 1lxk s ILE 397 Cb -0.13 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1lxk s ILE 397 CO -0.05 0.48 0.32 -0.62 -1.23 0.00 0.00 174.94 173.84 1lxk s ASP 398 N -1.19 0.02 -1.21 3.58 -1.08 0.04 -0.51 116.67 116.31 1lxk s ASP 398 Ca 0.15 -0.99 -0.13 0.00 -0.52 0.00 0.00 52.55 51.06 1lxk s ASP 398 Cb -0.11 0.48 -0.01 0.00 -1.46 0.00 0.00 42.92 41.82 1lxk s ASP 398 CO 0.05 -0.97 0.71 1.41 0.52 0.00 0.00 175.17 176.90 1lxk n HIS 399 N -0.28 -1.88 0.00 -5.34 8.25 -1.26 -0.99 115.22 113.71 1lxk n HIS 399 Ca -0.04 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1lxk n HIS 399 Cb 0.63 -3.67 0.00 0.00 1.12 0.00 0.00 29.99 28.07 1lxk n HIS 399 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1lxk n THR 400 N -4.19 0.00 -2.54 1.59 -1.04 -1.26 -3.82 114.28 103.02 1lxk n THR 400 Ca -0.17 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1lxk n THR 400 Cb 0.62 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.17 1lxk n THR 400 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1lxk n ASN 401 N 2.56 0.37 -4.51 8.00 0.23 -1.22 -4.47 115.26 116.22 1lxk n ASN 401 Ca 0.00 -2.04 -0.34 0.00 -0.53 0.00 0.00 54.58 51.67 1lxk n ASN 401 Cb 0.00 -0.07 -0.12 0.00 -2.08 0.00 0.00 39.78 37.51 1lxk n ASN 401 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1lxk s VAL 402 N -1.14 3.96 -0.10 3.53 1.01 -0.16 -1.85 120.40 125.65 1lxk s VAL 402 Ca 0.21 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1lxk s VAL 402 Cb 0.31 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 1lxk s VAL 402 CO -0.09 0.50 1.97 0.00 0.00 0.00 0.00 175.10 177.47 1lxk s ALA 403 N 0.31 3.25 -0.02 5.51 0.00 -1.26 -0.78 121.76 128.77 1lxk s ALA 403 Ca -0.03 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.12 1lxk s ALA 403 Cb -0.14 -3.92 0.38 0.00 0.00 0.00 0.00 23.12 19.45 1lxk s ALA 403 CO 0.03 -2.03 1.16 0.66 0.00 0.00 0.00 175.76 175.57 1lxk n TYR 404 N 9.04 0.00 -0.34 0.00 4.01 -0.54 -4.36 117.16 124.97 1lxk n TYR 404 Ca 0.23 -0.54 0.07 0.00 -0.16 0.00 0.00 57.90 57.50 1lxk n TYR 404 Cb 0.43 -0.15 0.25 0.00 -0.31 0.00 0.00 39.34 39.57 1lxk n TYR 404 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1lxk h THR 405 N 6.41 0.95 -0.02 -0.72 2.02 -1.59 -2.05 112.91 117.92 1lxk h THR 405 Ca -0.18 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1lxk h THR 405 Cb 1.76 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1lxk h THR 405 CO 0.08 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.76 1lxk n GLY 406 N -1.37 -0.87 1.79 2.16 0.00 0.18 -2.47 105.19 104.61 1lxk n GLY 406 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1lxk n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxk n ALA 407 N -0.67 3.00 0.09 4.61 0.00 -1.12 -4.53 120.51 121.88 1lxk n ALA 407 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 1lxk n ALA 407 Cb 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1lxk n ALA 407 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1lxk h PHE 408 N 0.00 0.27 -0.61 0.00 -1.00 -1.70 -2.38 116.94 111.52 1lxk h PHE 408 Ca 0.00 -0.15 -0.05 0.00 2.81 0.00 0.00 57.97 60.58 1lxk h PHE 408 Cb 0.01 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 1lxk h PHE 408 CO 0.00 0.96 0.17 0.78 -1.61 0.00 0.00 178.31 178.61 1lxk h GLY 409 N 1.90 1.00 0.84 -1.45 0.00 -1.06 -0.43 103.07 103.88 1lxk h GLY 409 Ca -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1lxk h GLY 409 CO 0.13 0.54 -0.50 3.43 0.00 0.00 0.00 176.54 180.14 1lxk h ASN 410 N 0.90 -1.24 -0.86 0.19 4.21 -1.37 -1.10 115.58 116.30 1lxk h ASN 410 Ca 0.20 0.07 0.17 0.00 1.21 0.00 0.00 56.30 57.94 1lxk h ASN 410 Cb 0.29 0.36 -0.10 0.00 -1.12 0.00 0.00 38.32 37.75 1lxk h ASN 410 CO -0.00 -0.77 0.43 0.58 -1.29 0.00 0.00 177.43 176.37 1lxk h VAL 411 N -1.24 0.66 0.62 2.81 2.07 -1.25 0.33 116.25 120.25 1lxk h VAL 411 Ca -0.11 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1lxk h VAL 411 Cb 0.99 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1lxk h VAL 411 CO 0.12 0.10 -0.48 0.25 0.02 0.00 0.00 177.57 177.58 1lxk h LEU 412 N 0.57 -1.28 -0.89 2.57 6.46 -0.63 0.05 115.31 122.16 1lxk h LEU 412 Ca 0.49 0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 58.24 1lxk h LEU 412 Cb 0.76 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1lxk h LEU 412 CO -0.41 -0.69 -0.24 -0.29 -0.62 0.00 0.00 178.44 176.20 1lxk h ILE 413 N -1.07 1.27 0.52 4.05 2.10 -0.54 -0.83 117.51 123.01 1lxk h ILE 413 Ca -0.08 -1.27 -0.03 0.00 1.08 0.00 0.00 64.86 64.56 1lxk h ILE 413 Cb 0.89 1.31 0.01 0.00 -1.09 0.00 0.00 36.82 37.94 1lxk h ILE 413 CO 0.01 0.41 -0.25 -0.78 -1.08 0.00 0.00 178.15 176.46 1lxk h ASP 414 N 0.48 -0.59 -0.40 2.19 3.58 -0.29 -2.33 116.42 119.07 1lxk h ASP 414 Ca 0.07 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 1lxk h ASP 414 Cb 0.68 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1lxk h ASP 414 CO 0.05 -0.28 -0.09 1.23 -2.88 0.00 0.00 179.24 177.27 1lxk h GLY 415 N -0.91 0.82 1.02 -0.78 0.00 -0.99 -2.97 103.07 99.26 1lxk h GLY 415 Ca -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1lxk h GLY 415 CO 0.12 0.61 0.46 -2.00 0.00 0.00 0.00 176.54 175.73 1lxk h LEU 416 N 0.57 1.00 -1.84 3.11 5.85 -1.22 -1.61 115.31 121.18 1lxk h LEU 416 Ca 0.10 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1lxk h LEU 416 Cb 0.60 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1lxk h LEU 416 CO 0.04 0.80 -0.14 0.77 -0.34 0.00 0.00 178.44 179.56 1lxk h SER 417 N 1.12 0.00 0.09 1.25 4.64 -1.37 0.11 113.55 119.39 1lxk h SER 417 Ca 0.29 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.33 1lxk h SER 417 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1lxk h SER 417 CO -0.05 0.14 -1.13 1.56 -0.87 0.00 0.00 176.83 176.49 1lxk h GLN 418 N 0.00 0.61 -0.05 4.77 4.20 -1.22 -3.38 115.11 120.05 1lxk h GLN 418 Ca -0.00 -0.77 -0.05 0.00 0.06 0.00 0.00 58.65 57.88 1lxk h GLN 418 Cb 0.33 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1lxk h GLN 418 CO 0.02 1.34 -0.18 1.25 -0.67 0.00 0.00 178.83 180.59 1lxk h LEU 419 N 0.24 0.24 -0.83 1.46 5.85 -0.74 -3.38 115.31 118.15 1lxk h LEU 419 Ca -0.17 -0.63 0.18 0.00 0.84 0.00 0.00 57.88 58.10 1lxk h LEU 419 Cb 1.81 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.61 1lxk h LEU 419 CO 0.22 0.84 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.95 1lxk h LEU 420 N -0.33 -0.65 -0.98 2.25 3.38 -0.97 0.13 115.31 118.14 1lxk h LEU 420 Ca -0.01 0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1lxk h LEU 420 Cb 0.82 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1lxk h LEU 420 CO 0.04 -0.26 0.62 -0.65 0.09 0.00 0.00 178.44 178.27 1lxk h PRO 421 N 0.02 1.03 0.21 1.13 0.11 -1.77 0.94 132.00 133.67 1lxk h PRO 421 Ca 0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1lxk h PRO 421 Cb 0.70 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1lxk h PRO 421 CO -0.82 0.68 -0.10 0.28 -0.21 0.00 0.00 178.00 177.83 1lxk h VAL 422 N 1.06 0.83 -0.97 3.15 2.07 -1.04 -3.21 116.25 118.14 1lxk h VAL 422 Ca 0.45 -0.88 0.19 0.00 0.82 0.00 0.00 66.70 67.28 1lxk h VAL 422 Cb 0.32 1.30 -0.11 0.00 -1.52 0.00 0.00 31.29 31.28 1lxk h VAL 422 CO -0.22 0.18 0.56 0.40 0.02 0.00 0.00 177.57 178.51 1lxk h ILE 423 N -0.77 0.68 0.00 4.57 2.04 -0.63 -0.35 117.51 123.05 1lxk h ILE 423 Ca -0.03 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1lxk h ILE 423 Cb 0.51 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1lxk h ILE 423 CO 0.05 0.13 0.00 1.56 0.00 0.00 0.00 178.15 179.88 1lxk h GLN 424 N 0.69 0.00 -0.67 2.37 1.08 -0.84 -2.42 115.11 115.33 1lxk h GLN 424 Ca 0.56 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.76 1lxk h GLN 424 Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1lxk h GLN 424 CO -0.40 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.11 1lxk n LYS 425 N -2.91 3.32 -3.17 1.46 5.02 -0.14 -4.63 118.16 117.11 1lxk n LYS 425 Ca -0.01 -2.65 -0.21 0.00 -2.02 0.00 0.00 58.31 53.43 1lxk n LYS 425 Cb 0.20 -1.78 0.05 0.00 -0.02 0.00 0.00 35.03 33.48 1lxk n LYS 425 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1lxk s THR 426 N -1.62 2.05 -2.00 -0.18 -4.23 -0.91 -4.98 115.64 103.77 1lxk s THR 426 Ca 0.48 -1.08 0.14 0.00 -1.18 0.00 0.00 61.69 60.06 1lxk s THR 426 Cb 0.29 -2.13 0.41 0.00 1.34 0.00 0.00 72.50 72.42 1lxk s THR 426 CO 0.26 0.00 1.46 0.29 -0.54 0.00 0.00 174.62 176.08 1lxk n LYS 427 N -2.18 0.86 -3.02 3.99 5.02 -1.26 -3.62 118.16 117.96 1lxk n LYS 427 Ca 0.13 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.23 1lxk n LYS 427 Cb 0.62 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 1lxk n LYS 427 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1lxk n ASN 428 N -0.76 2.03 -4.75 4.39 3.02 -1.26 -5.11 115.26 112.81 1lxk n ASN 428 Ca 0.11 -3.17 -0.34 0.00 -0.03 0.00 0.00 54.58 51.14 1lxk n ASN 428 Cb 0.05 -0.58 0.05 0.00 -0.61 0.00 0.00 39.78 38.69 1lxk n ASN 428 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lxk s PRO 429 N -2.84 2.71 -0.13 3.52 0.04 -1.24 -4.85 135.00 132.21 1lxk s PRO 429 Ca 0.41 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 1lxk s PRO 429 Cb 0.35 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.95 1lxk s PRO 429 CO -0.08 -1.37 0.70 0.42 0.04 0.00 0.00 177.00 176.70 1lxk s ILE 430 N -1.95 5.01 0.26 0.56 1.01 -1.26 -5.01 121.20 119.82 1lxk s ILE 430 Ca 0.73 1.38 -0.29 0.00 0.00 0.00 0.00 60.65 62.48 1lxk s ILE 430 Cb -0.26 -4.02 -0.15 0.00 0.01 0.00 0.00 42.46 38.04 1lxk s ILE 430 CO 0.38 0.16 0.95 0.47 0.00 0.00 0.00 174.94 176.91 1lxk n ASP 431 N 4.48 0.90 -0.11 3.58 8.00 -1.26 -4.86 116.55 127.27 1lxk n ASP 431 Ca -0.00 1.17 -0.09 0.00 0.71 0.00 0.00 54.79 56.57 1lxk n ASP 431 Cb 0.50 -1.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.37 1lxk n ASP 431 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1lxk h LYS 432 N 2.01 0.51 -0.12 -1.24 1.79 -2.00 -2.17 116.57 115.36 1lxk h LYS 432 Ca -0.38 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.06 1lxk h LYS 432 Cb 1.36 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1lxk h LYS 432 CO 0.61 0.44 0.09 0.38 -1.08 0.00 0.00 179.45 179.89 1lxk h ASP 433 N 0.44 0.00 0.50 0.86 2.03 -2.01 -1.24 116.42 117.01 1lxk h ASP 433 Ca 0.12 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.28 1lxk h ASP 433 Cb 0.09 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 1lxk h ASP 433 CO -0.02 0.00 -0.65 0.11 -1.03 0.00 0.00 179.24 177.65 1lxk h LYS 434 N 0.00 0.13 0.00 4.15 1.57 -1.75 -3.21 116.57 117.46 1lxk h LYS 434 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lxk h LYS 434 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1lxk h LYS 434 CO -0.00 0.74 -0.68 -1.33 -0.57 0.00 0.00 179.45 177.60 1lxk n MET 435 N -3.81 0.28 0.25 3.15 2.81 -0.54 -4.14 117.12 115.11 1lxk n MET 435 Ca -0.02 0.07 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 1lxk n MET 435 Cb 0.64 -1.66 0.72 0.00 -0.71 0.00 0.00 33.22 32.22 1lxk n MET 435 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1lxk h GLN 436 N 0.00 0.00 0.00 0.03 -0.00 -1.36 0.58 115.11 114.35 1lxk h GLN 436 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1lxk h GLN 436 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.21 1lxk h GLN 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.83 1lxk h THR 437 N 0.00 0.00 -0.71 2.39 1.03 -1.80 -2.93 112.91 110.89 1lxk h THR 437 Ca 0.07 -0.32 0.04 0.00 -0.01 0.00 0.00 66.41 66.19 1lxk h THR 437 Cb 0.96 1.25 -0.04 0.00 -1.07 0.00 0.00 68.15 69.26 1lxk h THR 437 CO -0.00 0.00 0.47 0.24 -0.01 0.00 0.00 175.52 176.22 1lxk h MET 438 N 0.00 0.80 0.00 0.00 2.86 -1.20 -0.20 114.93 117.20 1lxk h MET 438 Ca 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1lxk h MET 438 Cb 0.34 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1lxk h MET 438 CO 0.00 0.53 -0.12 1.88 1.06 0.00 0.00 176.91 180.26 1lxk h TYR 439 N 0.83 0.00 -0.11 -0.22 0.05 -1.73 -2.01 116.97 113.78 1lxk h TYR 439 Ca 0.29 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 1lxk h TYR 439 Cb 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1lxk h TYR 439 CO -0.00 0.12 -0.14 1.25 -1.05 0.00 0.00 178.16 178.34 1lxk h HIS 440 N 0.00 0.35 -0.17 4.88 2.76 -1.19 -1.65 115.15 120.14 1lxk h HIS 440 Ca -0.00 -0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1lxk h HIS 440 Cb 0.58 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1lxk h HIS 440 CO 0.00 0.73 -0.05 -1.49 -1.30 0.00 0.00 177.93 175.82 1lxk h TRP 441 N -0.12 -0.12 0.05 5.26 6.55 -1.17 0.11 115.95 126.50 1lxk h TRP 441 Ca 0.01 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.89 1lxk h TRP 441 Cb 0.69 0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 29.04 1lxk h TRP 441 CO 0.09 -0.09 -0.14 0.82 -1.05 0.00 0.00 178.44 178.08 1lxk h ILE 442 N -0.02 0.67 -0.07 1.49 2.04 -1.34 0.16 117.51 120.44 1lxk h ILE 442 Ca 0.09 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 1lxk h ILE 442 Cb 0.15 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1lxk h ILE 442 CO -0.19 0.00 -0.51 0.44 0.00 0.00 0.00 178.15 177.89 1lxk h ASP 443 N -0.25 0.57 0.35 1.72 3.32 -1.16 0.53 116.42 121.50 1lxk h ASP 443 Ca 0.03 -0.67 -0.32 0.00 0.02 0.00 0.00 57.03 56.09 1lxk h ASP 443 Cb 0.29 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1lxk h ASP 443 CO -0.10 1.16 -1.82 0.29 -1.72 0.00 0.00 179.24 177.05 1lxk n LYS 444 N -4.25 0.68 -0.11 3.56 4.76 0.38 -4.40 118.16 118.78 1lxk n LYS 444 Ca -0.09 0.28 -0.21 0.00 -2.87 0.00 0.00 58.31 55.42 1lxk n LYS 444 Cb 0.61 -1.76 -0.08 0.00 -1.84 0.00 0.00 35.03 31.95 1lxk n LYS 444 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1lxk n SER 445 N -3.21 1.91 -0.07 4.39 7.64 0.42 -4.54 113.62 120.16 1lxk n SER 445 Ca -0.22 0.40 -0.11 0.00 1.01 0.00 0.00 58.87 59.94 1lxk n SER 445 Cb 1.05 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 63.31 1lxk n SER 445 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1lxk h PHE 446 N -1.00 0.00 -0.71 1.43 0.04 -1.13 -3.39 116.94 112.18 1lxk h PHE 446 Ca -0.41 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.51 1lxk h PHE 446 Cb 1.30 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.32 1lxk h PHE 446 CO -0.10 0.76 -0.12 0.00 -0.60 0.00 0.00 178.31 178.25 1lxk h ALA 447 N -0.41 0.55 0.00 2.45 0.00 -1.09 -0.50 119.26 120.26 1lxk h ALA 447 Ca -0.06 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1lxk h ALA 447 Cb 0.77 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1lxk h ALA 447 CO -0.04 -0.42 -0.06 -1.35 0.00 0.00 0.00 179.25 177.38 1lxk h PRO 448 N 0.03 0.00 -0.01 0.00 0.11 -1.77 -2.18 132.00 128.17 1lxk h PRO 448 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1lxk h PRO 448 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1lxk h PRO 448 CO -0.70 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 178.43 1lxk n LEU 449 N -3.68 0.83 -4.46 2.35 4.77 -0.20 -4.77 117.00 111.85 1lxk n LEU 449 Ca -0.02 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.30 1lxk n LEU 449 Cb 0.17 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1lxk n LEU 449 CO 0.28 0.14 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.49 1lxk s LEU 450 N -1.97 3.80 -0.16 2.23 1.43 -0.82 -1.32 118.68 121.86 1lxk s LEU 450 Ca 0.42 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1lxk s LEU 450 Cb 0.21 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1lxk s LEU 450 CO 0.34 -0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 176.06 1lxk s VAL 451 N 1.63 1.21 -1.54 -1.59 1.01 0.09 -4.78 120.40 116.43 1lxk s VAL 451 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1lxk s VAL 451 Cb -0.16 -1.33 0.09 0.00 0.00 0.00 0.00 36.38 34.97 1lxk s VAL 451 CO 0.06 0.19 0.89 0.59 0.00 0.00 0.00 175.10 176.82 1lxk n ASN 452 N 4.85 -3.88 0.00 3.32 3.02 -1.26 -0.73 115.26 120.58 1lxk n ASN 452 Ca -0.13 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1lxk n ASN 452 Cb 0.48 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 1lxk n ASN 452 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lxk n GLY 453 N -1.65 0.81 3.68 7.41 0.00 -1.25 -4.19 105.19 110.00 1lxk n GLY 453 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1lxk n GLY 453 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lxk s GLU 454 N -0.06 3.39 -0.43 1.61 2.12 0.09 -4.31 118.70 121.12 1lxk s GLU 454 Ca 0.00 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 54.79 1lxk s GLU 454 Cb 0.00 -2.98 0.03 0.00 0.26 0.00 0.00 34.13 31.44 1lxk s GLU 454 CO 0.00 0.55 0.48 -1.17 -0.54 0.00 0.00 175.26 174.58 1lxk s LEU 455 N -0.44 4.84 -0.45 2.70 2.96 -0.72 -0.73 118.68 126.84 1lxk s LEU 455 Ca 0.09 -0.66 -0.46 0.00 -0.22 0.00 0.00 54.13 52.89 1lxk s LEU 455 Cb -0.12 -2.44 -0.19 0.00 0.50 0.00 0.00 46.19 43.94 1lxk s LEU 455 CO 0.02 -0.63 1.61 0.23 -1.32 0.00 0.00 176.35 176.26 1lxk n MET 456 N 5.73 0.20 0.22 1.98 2.81 -0.44 -4.59 117.12 123.04 1lxk n MET 456 Ca -0.06 0.07 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 1lxk n MET 456 Cb 0.47 -1.61 0.75 0.00 -0.71 0.00 0.00 33.22 32.13 1lxk n MET 456 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1lxk h ASP 457 N 5.33 0.00 0.19 7.83 3.32 -1.94 -2.53 116.42 128.62 1lxk h ASP 457 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1lxk h ASP 457 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1lxk h ASP 457 CO 0.97 0.00 0.00 1.15 -1.72 0.00 0.00 179.24 179.64 1lxk n MET 458 N -4.20 0.02 -0.03 3.56 0.00 -1.26 -1.55 117.12 113.66 1lxk n MET 458 Ca -0.00 0.36 0.05 0.00 0.00 0.00 0.00 57.70 58.10 1lxk n MET 458 Cb 0.21 -1.50 0.06 0.00 0.00 0.00 0.00 33.22 31.99 1lxk n MET 458 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1lxk n SER 459 N -1.45 2.00 -1.22 3.17 3.41 -0.95 -4.61 113.62 113.96 1lxk n SER 459 Ca 0.02 -1.52 0.12 0.00 -0.26 0.00 0.00 58.87 57.22 1lxk n SER 459 Cb 0.07 -0.04 0.25 0.00 -0.26 0.00 0.00 64.21 64.22 1lxk n SER 459 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1lxk n ARG 460 N 0.48 2.58 0.00 4.33 1.74 -0.60 0.49 116.66 125.68 1lxk n ARG 460 Ca 0.06 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 1lxk n ARG 460 Cb 0.27 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1lxk n ARG 460 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lxk n GLY 461 N 1.55 2.93 0.00 -0.13 0.00 -1.26 -1.52 105.19 106.76 1lxk n GLY 461 Ca 0.21 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1lxk n GLY 461 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lxk n ARG 462 N 14.00 0.24 0.29 1.61 1.85 -1.26 -3.50 116.66 129.89 1lxk n ARG 462 Ca 0.00 0.06 0.16 0.00 -1.00 0.00 0.00 57.85 57.07 1lxk n ARG 462 Cb 0.00 -1.50 0.89 0.00 -1.05 0.00 0.00 32.46 30.80 1lxk n ARG 462 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1lxk h SER 463 N 0.00 0.00 0.15 2.89 0.02 -1.65 -2.40 113.55 112.56 1lxk h SER 463 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lxk h SER 463 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1lxk h SER 463 CO 0.00 0.05 -0.00 0.16 -1.14 0.00 0.00 176.83 175.90 1lxk h ILE 464 N 0.00 0.02 -0.20 3.27 3.07 -1.71 -0.78 117.51 121.17 1lxk h ILE 464 Ca -0.00 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.33 1lxk h ILE 464 Cb 0.18 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 1lxk h ILE 464 CO 0.01 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.57 1lxk n SER 465 N -3.10 1.59 -4.61 2.16 3.41 -0.90 -4.79 113.62 107.37 1lxk n SER 465 Ca -0.02 -1.77 -0.38 0.00 -0.26 0.00 0.00 58.87 56.43 1lxk n SER 465 Cb 0.11 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 1lxk n SER 465 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1lxk s ARG 466 N -1.74 4.01 0.47 4.33 0.52 -0.30 -4.60 118.95 121.65 1lxk s ARG 466 Ca 0.29 -0.09 0.12 0.00 -0.52 0.00 0.00 55.73 55.53 1lxk s ARG 466 Cb 0.15 -3.64 1.08 0.00 0.52 0.00 0.00 34.95 33.07 1lxk s ARG 466 CO 0.23 -0.19 2.10 0.00 0.02 0.00 0.00 175.30 177.46 1lxk h ALA 467 N 8.10 1.86 -0.22 2.13 0.00 -1.87 -2.38 119.26 126.89 1lxk h ALA 467 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1lxk h ALA 467 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1lxk h ALA 467 CO 0.62 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.27 1lxk n ASN 468 N -4.50 1.66 -2.60 0.00 6.94 -1.26 -4.28 115.26 111.22 1lxk n ASN 468 Ca -0.00 -1.80 -0.16 0.00 -0.02 0.00 0.00 54.58 52.59 1lxk n ASN 468 Cb 0.08 -0.14 0.02 0.00 -2.36 0.00 0.00 39.78 37.38 1lxk n ASN 468 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1lxk n SER 469 N 0.35 2.73 -4.79 0.53 7.64 -0.89 -4.87 113.62 114.31 1lxk n SER 469 Ca 0.14 -3.12 -0.31 0.00 1.01 0.00 0.00 58.87 56.60 1lxk n SER 469 Cb 0.31 -0.50 0.07 0.00 -1.01 0.00 0.00 64.21 63.08 1lxk n SER 469 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1lxk s GLU 470 N -3.28 2.52 0.16 1.43 2.02 -1.26 -4.46 118.70 115.84 1lxk s GLU 470 Ca 0.36 1.00 -0.07 0.00 0.02 0.00 0.00 54.97 56.27 1lxk s GLU 470 Cb 0.43 -1.94 0.23 0.00 0.10 0.00 0.00 34.13 32.96 1lxk s GLU 470 CO -0.05 -1.41 0.96 0.41 0.02 0.00 0.00 175.26 175.19 1lxk n GLY 471 N -1.67 -1.13 0.23 -1.39 0.00 -1.26 -0.34 105.19 99.63 1lxk n GLY 471 Ca 0.08 0.67 -0.02 0.00 0.00 0.00 0.00 46.02 46.75 1lxk n GLY 471 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1lxk h HIS 472 N 0.00 0.42 -0.02 1.61 3.86 -1.87 -0.17 115.15 118.97 1lxk h HIS 472 Ca 0.27 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1lxk h HIS 472 Cb 0.42 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1lxk h HIS 472 CO -0.50 0.62 -0.05 0.28 0.86 0.00 0.00 177.93 179.14 1lxk h VAL 473 N 0.33 1.45 -0.75 2.45 2.07 -0.98 -3.09 116.25 117.73 1lxk h VAL 473 Ca 0.05 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.21 1lxk h VAL 473 Cb 0.66 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 1lxk h VAL 473 CO 0.05 0.38 0.49 0.00 0.02 0.00 0.00 177.57 178.51 1lxk h ALA 474 N 0.43 1.64 -0.72 1.67 0.00 -1.03 -1.78 119.26 119.47 1lxk h ALA 474 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1lxk h ALA 474 Cb 0.64 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1lxk h ALA 474 CO 0.01 0.26 0.48 0.00 0.00 0.00 0.00 179.25 179.99 1lxk h ALA 475 N 1.58 1.63 0.00 0.00 0.00 -1.00 -1.88 119.26 119.60 1lxk h ALA 475 Ca 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1lxk h ALA 475 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1lxk h ALA 475 CO -0.10 0.28 -0.21 0.28 0.00 0.00 0.00 179.25 179.50 1lxk h VAL 476 N 0.82 0.69 -0.59 0.00 2.07 -1.24 -0.61 116.25 117.40 1lxk h VAL 476 Ca 0.30 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1lxk h VAL 476 Cb 0.14 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1lxk h VAL 476 CO -0.09 0.20 0.35 -0.33 0.02 0.00 0.00 177.57 177.72 1lxk h GLU 477 N 0.00 0.80 0.02 1.57 5.08 -1.37 0.38 114.58 121.06 1lxk h GLU 477 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1lxk h GLU 477 Cb 0.54 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1lxk h GLU 477 CO 0.03 0.57 -0.01 0.28 -1.00 0.00 0.00 179.01 178.88 1lxk h VAL 478 N 0.79 1.41 -0.72 3.13 2.07 -1.46 -3.06 116.25 118.41 1lxk h VAL 478 Ca 0.21 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.43 1lxk h VAL 478 Cb -0.02 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 1lxk h VAL 478 CO -0.04 0.35 0.38 -0.07 0.02 0.00 0.00 177.57 178.21 1lxk h LEU 479 N -0.64 0.53 -1.39 2.57 3.38 -0.98 0.12 115.31 118.90 1lxk h LEU 479 Ca -0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1lxk h LEU 479 Cb 0.60 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1lxk h LEU 479 CO 0.00 0.31 -0.30 0.08 0.09 0.00 0.00 178.44 178.62 1lxk h ARG 480 N 0.66 0.00 -0.09 1.13 0.11 -1.01 0.70 114.38 115.88 1lxk h ARG 480 Ca 0.34 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.33 1lxk h ARG 480 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1lxk h ARG 480 CO -0.24 0.30 -0.31 0.78 0.10 0.00 0.00 179.97 180.61 1lxk h GLY 481 N 0.96 0.41 1.00 0.08 0.00 -1.09 -2.19 103.07 102.24 1lxk h GLY 481 Ca -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1lxk h GLY 481 CO 0.04 0.48 0.51 -2.22 0.00 0.00 0.00 176.54 175.35 1lxk h ILE 482 N -0.09 1.19 -0.61 2.60 2.04 -0.33 -1.84 117.51 120.48 1lxk h ILE 482 Ca -0.01 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1lxk h ILE 482 Cb 0.93 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1lxk h ILE 482 CO 0.07 0.19 0.24 -0.74 0.00 0.00 0.00 178.15 177.90 1lxk h HIS 483 N 1.04 0.93 -0.91 1.37 2.76 -0.88 0.19 115.15 119.65 1lxk h HIS 483 Ca 0.28 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1lxk h HIS 483 Cb -0.11 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.52 1lxk h HIS 483 CO -0.02 0.74 0.58 0.00 -1.30 0.00 0.00 177.93 177.93 1lxk h ARG 484 N 0.84 1.21 -0.47 5.26 3.08 -1.03 -0.26 114.38 123.02 1lxk h ARG 484 Ca 0.20 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 1lxk h ARG 484 Cb 0.21 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1lxk h ARG 484 CO -0.02 0.82 -0.12 0.82 -1.07 0.00 0.00 179.97 180.40 1lxk h ILE 485 N 1.24 1.27 -0.68 2.04 2.04 -0.72 -1.34 117.51 121.36 1lxk h ILE 485 Ca 0.33 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1lxk h ILE 485 Cb -0.11 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1lxk h ILE 485 CO -0.07 0.43 0.40 0.00 0.00 0.00 0.00 178.15 178.91 1lxk h ALA 486 N 0.88 0.87 -0.13 1.87 0.00 -0.41 -0.95 119.26 121.39 1lxk h ALA 486 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1lxk h ALA 486 Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1lxk h ALA 486 CO 0.05 0.36 -0.08 0.22 0.00 0.00 0.00 179.25 179.80 1lxk h ASP 487 N 0.93 0.18 1.77 0.00 3.58 -0.82 -1.50 116.42 120.57 1lxk h ASP 487 Ca 0.24 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1lxk h ASP 487 Cb -0.00 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1lxk h ASP 487 CO -0.04 0.29 -0.05 -0.03 -2.88 0.00 0.00 179.24 176.53 1lxk h MET 488 N 0.19 0.00 0.00 0.28 4.05 -0.34 -3.45 114.93 115.66 1lxk h MET 488 Ca 0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1lxk h MET 488 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1lxk h MET 488 CO 0.01 0.05 0.00 0.43 0.23 0.00 0.00 176.91 177.63 1lxk n SER 489 N -3.12 0.00 -3.71 1.39 7.64 -0.45 -5.08 113.62 110.29 1lxk n SER 489 Ca 0.03 -0.66 -0.06 0.00 1.01 0.00 0.00 58.87 59.19 1lxk n SER 489 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1lxk n SER 489 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1lxk s GLU 490 N -1.20 1.36 3.03 1.43 4.04 -1.26 -4.81 118.70 121.28 1lxk s GLU 490 Ca 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 54.97 54.31 1lxk s GLU 490 Cb 0.00 0.50 0.00 0.00 0.02 0.00 0.00 34.13 34.65 1lxk s GLU 490 CO 0.00 -0.62 0.00 0.41 -1.84 0.00 0.00 175.26 173.21 1lxk n GLY 491 N -0.42 -0.09 0.31 -3.83 0.00 -1.26 -3.18 105.19 96.72 1lxk n GLY 491 Ca -0.07 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.95 1lxk n GLY 491 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1lxk h GLU 492 N 0.00 0.93 -0.46 1.61 -0.00 -2.01 -1.32 114.58 113.33 1lxk h GLU 492 Ca 0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 59.36 59.39 1lxk h GLU 492 Cb 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 28.75 28.47 1lxk h GLU 492 CO 0.00 0.61 0.05 1.15 -0.00 0.00 0.00 179.01 180.82 1lxk h THR 493 N 0.95 0.70 -0.05 -1.06 2.02 -1.99 1.14 112.91 114.62 1lxk h THR 493 Ca 0.35 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 1lxk h THR 493 Cb 0.12 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1lxk h THR 493 CO -0.16 0.03 0.02 0.50 0.37 0.00 0.00 175.52 176.29 1lxk h LYS 494 N 0.17 0.07 -0.09 6.66 3.64 -1.37 -1.62 116.57 124.02 1lxk h LYS 494 Ca 0.23 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1lxk h LYS 494 Cb 0.32 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1lxk h LYS 494 CO -0.34 0.14 -0.06 1.96 -2.27 0.00 0.00 179.45 178.88 1lxk h GLN 495 N -0.02 -0.06 -0.75 1.90 1.08 -0.08 -0.10 115.11 117.09 1lxk h GLN 495 Ca 0.02 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1lxk h GLN 495 Cb 0.09 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1lxk h GLN 495 CO -0.00 -0.04 0.26 0.07 -0.95 0.00 0.00 178.83 178.17 1lxk h ARG 496 N -0.06 1.16 -0.59 1.46 0.11 0.13 -0.90 114.38 115.69 1lxk h ARG 496 Ca 0.05 -0.23 -0.10 0.00 0.10 0.00 0.00 59.98 59.81 1lxk h ARG 496 Cb 0.14 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 1lxk h ARG 496 CO -0.12 0.97 -0.01 -0.07 0.10 0.00 0.00 179.97 180.83 1lxk h LEU 497 N 1.11 1.02 -0.42 0.08 3.38 -1.09 -0.12 115.31 119.26 1lxk h LEU 497 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lxk h LEU 497 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1lxk h LEU 497 CO -0.01 1.07 0.25 1.56 0.09 0.00 0.00 178.44 181.40 1lxk h GLN 498 N 0.95 0.57 -0.61 1.13 4.20 -0.65 -0.21 115.11 120.49 1lxk h GLN 498 Ca 0.17 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1lxk h GLN 498 Cb 0.56 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1lxk h GLN 498 CO 0.03 0.42 0.24 0.77 -0.67 0.00 0.00 178.83 179.62 1lxk h SER 499 N 0.56 0.81 0.04 1.46 0.02 -0.87 0.26 113.55 115.83 1lxk h SER 499 Ca 0.15 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1lxk h SER 499 Cb -0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1lxk h SER 499 CO -0.03 0.74 -0.02 0.25 -1.14 0.00 0.00 176.83 176.63 1lxk h LEU 500 N 0.88 -0.04 -0.16 5.07 5.85 -0.37 -0.90 115.31 125.63 1lxk h LEU 500 Ca 0.21 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1lxk h LEU 500 Cb 0.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1lxk h LEU 500 CO -0.02 0.15 0.05 0.58 -0.34 0.00 0.00 178.44 178.86 1lxk h VAL 501 N -0.23 1.18 -0.13 1.05 2.07 -0.74 -2.61 116.25 116.83 1lxk h VAL 501 Ca -0.01 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1lxk h VAL 501 Cb 0.21 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1lxk h VAL 501 CO 0.01 0.17 -0.12 0.50 0.02 0.00 0.00 177.57 178.15 1lxk h LYS 502 N 0.09 -0.13 -0.38 1.57 3.64 -0.43 -1.52 116.57 119.40 1lxk h LYS 502 Ca 0.05 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1lxk h LYS 502 Cb 0.22 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1lxk h LYS 502 CO -0.00 -0.09 -0.03 0.00 -2.27 0.00 0.00 179.45 177.06 1lxk h THR 503 N -0.14 1.22 0.22 1.00 1.03 -1.17 -0.69 112.91 114.38 1lxk h THR 503 Ca 0.09 -0.93 -0.01 0.00 -0.01 0.00 0.00 66.41 65.55 1lxk h THR 503 Cb 0.27 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1lxk h THR 503 CO -0.21 0.32 -0.11 0.40 -0.01 0.00 0.00 175.52 175.91 1lxk h ILE 504 N 0.59 0.85 -0.82 0.00 2.04 -1.17 -1.78 117.51 117.21 1lxk h ILE 504 Ca 0.12 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1lxk h ILE 504 Cb 0.42 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1lxk h ILE 504 CO 0.02 0.12 0.52 0.58 0.00 0.00 0.00 178.15 179.39 1lxk h VAL 505 N -0.59 1.10 0.00 1.67 2.07 -1.19 -1.45 116.25 117.86 1lxk h VAL 505 Ca -0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1lxk h VAL 505 Cb 0.43 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1lxk h VAL 505 CO 0.05 0.18 0.00 1.56 0.02 0.00 0.00 177.57 179.38 1lxk h GLN 506 N 1.00 0.00 -0.00 1.57 4.20 -1.08 -2.31 115.11 118.48 1lxk h GLN 506 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1lxk h GLN 506 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1lxk h GLN 506 CO -0.13 0.00 -0.22 -1.13 -0.67 0.00 0.00 178.83 176.68 1lxk n SER 507 N -2.62 0.32 -4.40 1.46 3.41 -0.56 -4.69 113.62 106.54 1lxk n SER 507 Ca 0.02 -0.07 -0.44 0.00 -0.26 0.00 0.00 58.87 58.12 1lxk n SER 507 Cb 0.30 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1lxk n SER 507 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lxk s ASP 508 N -2.86 6.19 0.00 4.04 -1.08 -0.87 -4.71 116.67 117.37 1lxk s ASP 508 Ca 0.17 -1.27 0.25 0.00 -0.52 0.00 0.00 52.55 51.17 1lxk s ASP 508 Cb 0.19 -2.33 0.48 0.00 -1.46 0.00 0.00 42.92 39.80 1lxk s ASP 508 CO 0.58 -1.16 1.39 -1.54 0.52 0.00 0.00 175.17 174.96 1lxk n SER 509 N 6.60 1.07 -0.12 -0.34 3.41 -1.26 -4.37 113.62 118.62 1lxk n SER 509 Ca -0.08 -0.86 -0.26 0.00 -0.26 0.00 0.00 58.87 57.41 1lxk n SER 509 Cb 0.43 0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 1lxk n SER 509 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lxk n TYR 510 N -0.81 0.39 -4.04 7.33 9.36 -1.26 -4.97 117.16 123.16 1lxk n TYR 510 Ca 0.09 0.15 -0.35 0.00 3.32 0.00 0.00 57.90 61.11 1lxk n TYR 510 Cb 0.36 -1.04 -0.08 0.00 -0.63 0.00 0.00 39.34 37.95 1lxk n TYR 510 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1lxk s TYR 511 N -2.47 3.35 -0.62 2.98 5.04 -1.26 -5.05 117.35 119.31 1lxk s TYR 511 Ca -0.34 0.27 -0.24 0.00 -2.44 0.00 0.00 57.07 54.31 1lxk s TYR 511 Cb 0.11 -1.97 0.05 0.00 0.35 0.00 0.00 41.96 40.51 1lxk s TYR 511 CO 0.55 0.43 0.99 0.34 -1.34 0.00 0.00 175.55 176.52 1lxk s ASP 512 N -0.40 6.24 0.51 4.32 2.15 -1.26 -4.91 116.67 123.33 1lxk s ASP 512 Ca 0.10 -0.65 0.38 0.00 0.43 0.00 0.00 52.55 52.81 1lxk s ASP 512 Cb -0.12 -2.44 1.55 0.00 -0.30 0.00 0.00 42.92 41.61 1lxk s ASP 512 CO 0.02 -1.40 1.69 1.62 -0.17 0.00 0.00 175.17 176.92 1lxk h VAL 513 N 6.00 0.22 0.00 1.11 3.04 -1.92 0.16 116.25 124.86 1lxk h VAL 513 Ca -0.28 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1lxk h VAL 513 Cb 1.07 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1lxk h VAL 513 CO 1.15 0.01 0.00 -0.26 -1.01 0.00 0.00 177.57 177.46 1lxk h PHE 514 N 0.05 0.00 0.00 3.17 0.04 -1.94 -2.46 116.94 115.80 1lxk h PHE 514 Ca 0.75 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.52 1lxk h PHE 514 Cb 2.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.92 1lxk h PHE 514 CO -0.00 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.34 1lxk n LYS 515 N -2.51 0.08 -1.49 1.51 5.02 0.57 -2.91 118.16 118.43 1lxk n LYS 515 Ca 0.01 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.70 1lxk n LYS 515 Cb 0.22 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1lxk n LYS 515 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1lxk n ASN 516 N -1.83 1.55 -4.09 4.39 5.15 -0.93 -4.92 115.26 114.58 1lxk n ASN 516 Ca 0.02 -2.64 -0.35 0.00 -0.60 0.00 0.00 54.58 51.01 1lxk n ASN 516 Cb 0.16 -0.39 -0.12 0.00 -0.53 0.00 0.00 39.78 38.90 1lxk n ASN 516 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1lxk s LEU 517 N -1.66 5.15 -0.21 1.20 1.43 -1.15 -4.77 118.68 118.68 1lxk s LEU 517 Ca 0.35 -2.30 0.06 0.00 -1.03 0.00 0.00 54.13 51.21 1lxk s LEU 517 Cb 0.38 -1.81 0.47 0.00 0.03 0.00 0.00 46.19 45.26 1lxk s LEU 517 CO -0.11 -0.47 1.42 0.29 0.23 0.00 0.00 176.35 177.71 1lxk n LYS 518 N 4.21 2.65 -3.77 1.70 4.76 -1.26 -4.71 118.16 121.74 1lxk n LYS 518 Ca 0.01 -1.91 -0.11 0.00 -2.87 0.00 0.00 58.31 53.43 1lxk n LYS 518 Cb 0.40 -1.86 -0.07 0.00 -1.84 0.00 0.00 35.03 31.66 1lxk n LYS 518 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1lxk s THR 519 N -2.07 0.09 0.25 -0.18 -4.23 -1.26 -4.89 115.64 103.35 1lxk s THR 519 Ca 0.35 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1lxk s THR 519 Cb 0.28 -0.96 0.10 0.00 1.34 0.00 0.00 72.50 73.25 1lxk s THR 519 CO 0.08 -0.40 1.73 1.88 -0.54 0.00 0.00 174.62 177.37 1lxk h TYR 520 N 3.20 0.83 -0.73 3.99 0.05 -1.68 -1.90 116.97 120.74 1lxk h TYR 520 Ca -0.32 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.27 1lxk h TYR 520 Cb 1.20 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 1lxk h TYR 520 CO 0.45 0.80 0.21 -0.22 -1.05 0.00 0.00 178.16 178.35 1lxk h LYS 521 N 0.71 1.14 -0.56 4.88 1.63 -1.79 0.23 116.57 122.81 1lxk h LYS 521 Ca 0.13 -0.26 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 1lxk h LYS 521 Cb 0.51 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1lxk h LYS 521 CO 0.03 0.98 0.11 -0.44 -3.45 0.00 0.00 179.45 176.68 1lxk h ASP 522 N 1.09 0.87 -0.13 4.20 3.32 -1.85 0.15 116.42 124.07 1lxk h ASP 522 Ca 0.23 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1lxk h ASP 522 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1lxk h ASP 522 CO -0.00 0.90 0.04 0.40 -1.72 0.00 0.00 179.24 178.85 1lxk h ILE 523 N 0.81 1.19 0.11 0.35 2.04 -1.05 -2.53 117.51 118.43 1lxk h ILE 523 Ca 0.17 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1lxk h ILE 523 Cb 0.38 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1lxk h ILE 523 CO 0.01 0.17 -0.16 -1.28 0.00 0.00 0.00 178.15 176.89 1lxk h SER 524 N 0.02 -0.45 -0.55 1.72 0.87 -0.30 -1.59 113.55 113.27 1lxk h SER 524 Ca 0.04 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.75 1lxk h SER 524 Cb 0.24 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.29 1lxk h SER 524 CO -0.00 -0.24 0.10 -0.07 -0.53 0.00 0.00 176.83 176.10 1lxk h LEU 525 N -0.33 -0.02 -0.84 2.23 3.38 -0.71 -1.96 115.31 117.07 1lxk h LEU 525 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1lxk h LEU 525 Cb 0.34 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1lxk h LEU 525 CO -0.08 0.01 0.40 -0.03 0.09 0.00 0.00 178.44 178.83 1lxk h MET 526 N 0.24 1.22 -0.39 1.13 4.05 -1.21 -2.02 114.93 117.95 1lxk h MET 526 Ca 0.28 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1lxk h MET 526 Cb 0.41 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1lxk h MET 526 CO -0.37 0.94 0.10 1.96 0.23 0.00 0.00 176.91 179.76 1lxk h GLN 527 N 1.20 0.62 -0.15 0.39 4.20 -0.61 -1.25 115.11 119.50 1lxk h GLN 527 Ca 0.29 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 1lxk h GLN 527 Cb 0.13 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1lxk h GLN 527 CO -0.03 0.64 -0.34 0.66 -0.67 0.00 0.00 178.83 179.09 1lxk h SER 528 N 0.48 0.32 -0.14 1.46 4.64 -1.27 -2.43 113.55 116.61 1lxk h SER 528 Ca 0.12 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1lxk h SER 528 Cb 0.30 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1lxk h SER 528 CO 0.00 0.65 -0.02 0.25 -0.87 0.00 0.00 176.83 176.84 1lxk h LEU 529 N 0.27 0.26 -1.30 5.97 5.85 -1.13 -0.26 115.31 124.98 1lxk h LEU 529 Ca 0.03 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1lxk h LEU 529 Cb 0.74 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1lxk h LEU 529 CO 0.06 0.55 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.56 1lxk h LEU 530 N -0.02 0.36 -0.85 2.25 3.38 -1.16 -3.04 115.31 116.24 1lxk h LEU 530 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lxk h LEU 530 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1lxk h LEU 530 CO 0.01 0.48 -0.42 -1.54 0.09 0.00 0.00 178.44 177.07 1lxk n SER 531 N -4.27 1.73 -4.60 -0.43 3.41 -0.92 -4.85 113.62 103.69 1lxk n SER 531 Ca 0.00 -1.33 -0.43 0.00 -0.26 0.00 0.00 58.87 56.85 1lxk n SER 531 Cb 0.26 0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1lxk n SER 531 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lxk s ASP 532 N -2.49 6.58 0.21 4.04 -1.08 -0.11 -4.85 116.67 118.97 1lxk s ASP 532 Ca 0.20 0.48 0.22 0.00 -0.52 0.00 0.00 52.55 52.93 1lxk s ASP 532 Cb 0.18 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 40.01 1lxk s ASP 532 CO 0.56 -1.30 1.66 0.00 0.52 0.00 0.00 175.17 176.60 1lxk n ALA 533 N 8.03 1.62 0.68 3.66 0.00 -1.26 -2.17 120.51 131.07 1lxk n ALA 533 Ca 0.12 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1lxk n ALA 533 Cb 0.49 -1.35 0.47 0.00 0.00 0.00 0.00 19.45 19.05 1lxk n ALA 533 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxk n GLY 534 N -0.09 -1.54 3.53 0.00 0.00 -1.26 -4.64 105.19 101.19 1lxk n GLY 534 Ca 0.02 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1lxk n GLY 534 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lxk s VAL 535 N -3.10 5.29 0.28 1.61 1.01 -0.92 -5.06 120.40 119.50 1lxk s VAL 535 Ca 0.10 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1lxk s VAL 535 Cb 0.13 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1lxk s VAL 535 CO 0.53 0.01 1.30 0.00 0.00 0.00 0.00 175.10 176.93 1lxk s ALA 536 N 1.73 3.51 -0.47 5.51 0.00 -1.26 -4.96 121.76 125.83 1lxk s ALA 536 Ca 0.06 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1lxk s ALA 536 Cb -0.17 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1lxk s ALA 536 CO 0.11 -0.57 0.27 0.45 0.00 0.00 0.00 175.76 176.02 1lxk s SER 537 N -0.18 3.75 -0.08 0.00 0.15 -1.26 -4.36 113.70 111.71 1lxk s SER 537 Ca 0.52 -2.81 0.02 0.00 0.70 0.00 0.00 55.95 54.38 1lxk s SER 537 Cb -0.38 -1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.75 1lxk s SER 537 CO 0.46 -0.24 -0.13 -0.69 1.20 0.00 0.00 173.24 173.83 1lxk s VAL 538 N 0.09 3.09 0.18 4.45 1.01 -1.26 -4.92 120.40 123.03 1lxk s VAL 538 Ca 0.19 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 61.16 1lxk s VAL 538 Cb -0.22 -2.25 -0.16 0.00 0.00 0.00 0.00 36.38 33.76 1lxk s VAL 538 CO -0.02 0.57 1.13 -2.65 0.00 0.00 0.00 175.10 174.12 1lxk n PRO 539 N 2.78 1.12 -1.70 2.72 -0.02 -1.26 -4.87 135.00 133.76 1lxk n PRO 539 Ca -0.18 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.31 1lxk n PRO 539 Cb 0.52 -1.87 0.03 0.00 -0.02 0.00 0.00 33.50 32.16 1lxk n PRO 539 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lxk n ARG 540 N 1.63 1.69 -2.15 -0.52 5.12 -1.26 -5.00 116.66 116.17 1lxk n ARG 540 Ca 0.15 0.61 -0.26 0.00 -1.93 0.00 0.00 57.85 56.41 1lxk n ARG 540 Cb 0.25 -2.41 0.08 0.00 -1.16 0.00 0.00 32.46 29.22 1lxk n ARG 540 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1lxk s THR 541 N -1.28 2.21 0.59 0.55 -1.32 -1.26 -4.70 115.64 110.43 1lxk s THR 541 Ca 0.67 -0.22 -0.19 0.00 -1.21 0.00 0.00 61.69 60.74 1lxk s THR 541 Cb -0.47 -2.98 -0.04 0.00 -1.51 0.00 0.00 72.50 67.50 1lxk s THR 541 CO 0.53 0.00 1.20 -0.44 -2.21 0.00 0.00 174.62 173.70 1lxk s SER 542 N -4.56 5.25 0.03 8.08 0.01 -1.26 -4.69 113.70 116.56 1lxk s SER 542 Ca 0.61 2.36 -0.27 0.00 1.31 0.00 0.00 55.95 59.96 1lxk s SER 542 Cb -0.10 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.62 1lxk s SER 542 CO 0.46 -1.55 0.76 -0.72 0.41 0.00 0.00 173.24 172.60 1lxk s TYR 543 N -1.63 -0.47 -0.14 2.43 -0.85 -0.46 -4.97 117.35 111.27 1lxk s TYR 543 Ca 0.77 0.44 -0.04 0.00 -0.52 0.00 0.00 57.07 57.72 1lxk s TYR 543 Cb -0.29 0.52 0.06 0.00 0.38 0.00 0.00 41.96 42.63 1lxk s TYR 543 CO 0.32 -0.64 0.17 -1.17 -1.52 0.00 0.00 175.55 172.71 1lxk s LEU 544 N -2.23 -0.02 -0.22 -3.49 0.20 -1.12 -0.66 118.68 111.14 1lxk s LEU 544 Ca 0.00 -0.00 -0.06 0.00 0.69 0.00 0.00 54.13 54.76 1lxk s LEU 544 Cb -0.01 0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.94 1lxk s LEU 544 CO -0.06 -0.29 0.04 -0.44 -0.29 0.00 0.00 176.35 175.30 1lxk s SER 545 N 2.28 5.07 -0.85 3.68 0.01 0.17 -4.85 113.70 119.21 1lxk s SER 545 Ca 0.04 -0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.02 1lxk s SER 545 Cb -0.14 -1.88 0.22 0.00 0.21 0.00 0.00 66.02 64.43 1lxk s SER 545 CO -0.08 0.04 0.78 0.00 0.41 0.00 0.00 173.24 174.39 1lxk s ALA 546 N 1.15 4.13 -1.45 1.44 0.00 -1.26 -1.63 121.76 124.13 1lxk s ALA 546 Ca 0.04 -3.39 -0.14 0.00 0.00 0.00 0.00 51.96 48.46 1lxk s ALA 546 Cb -0.14 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1lxk s ALA 546 CO 0.02 -2.25 2.21 1.19 0.00 0.00 0.00 175.76 176.93 1lxk n PHE 547 N 3.74 3.58 0.23 0.00 3.72 -0.37 -4.73 117.46 123.64 1lxk n PHE 547 Ca 0.15 -2.97 0.07 0.00 -0.05 0.00 0.00 57.45 54.64 1lxk n PHE 547 Cb 0.45 -2.56 0.56 0.00 -0.94 0.00 0.00 39.48 36.99 1lxk n PHE 547 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1lxk h ASN 548 N 6.06 0.00 0.20 4.37 2.35 -1.88 -1.78 115.58 124.90 1lxk h ASN 548 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 1lxk h ASN 548 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1lxk h ASN 548 CO 1.87 0.16 0.00 0.29 -1.65 0.00 0.00 177.43 178.10 1lxk n LYS 549 N -4.20 0.46 -0.19 0.81 4.76 -1.26 -2.84 118.16 115.70 1lxk n LYS 549 Ca -0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1lxk n LYS 549 Cb 0.23 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 1lxk n LYS 549 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lxk n MET 550 N -1.15 0.07 -3.86 1.97 0.00 -0.91 -4.92 117.12 108.31 1lxk n MET 550 Ca 0.12 -0.73 -0.27 0.00 0.00 0.00 0.00 57.70 56.82 1lxk n MET 550 Cb 0.12 -0.52 0.02 0.00 0.00 0.00 0.00 33.22 32.84 1lxk n MET 550 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1lxk n ASP 551 N -0.03 -3.46 -4.18 3.17 8.00 -0.72 -4.72 116.55 114.63 1lxk n ASP 551 Ca 0.00 -0.81 -0.15 0.00 0.71 0.00 0.00 54.79 54.55 1lxk n ASP 551 Cb 0.57 -3.87 -0.11 0.00 -0.02 0.00 0.00 41.12 37.69 1lxk n ASP 551 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1lxk s LYS 552 N -6.43 0.84 -0.02 -1.24 -0.14 -0.91 -2.22 119.74 109.63 1lxk s LYS 552 Ca 0.43 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 1lxk s LYS 552 Cb -0.22 -0.56 0.02 0.00 -1.68 0.00 0.00 37.83 35.40 1lxk s LYS 552 CO 0.83 0.09 0.01 0.99 -0.76 0.00 0.00 175.35 176.51 1lxk s THR 553 N -2.34 0.02 -0.13 2.17 2.01 -0.71 -1.24 115.64 115.43 1lxk s THR 553 Ca 0.05 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1lxk s THR 553 Cb -0.03 -0.12 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1lxk s THR 553 CO 0.00 0.08 -0.22 0.00 -0.69 0.00 0.00 174.62 173.80 1lxk s ALA 554 N 0.79 2.22 -0.01 7.40 0.00 -0.65 -0.55 121.76 130.96 1lxk s ALA 554 Ca -0.07 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.90 1lxk s ALA 554 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1lxk s ALA 554 CO -0.02 0.03 -0.22 1.41 0.00 0.00 0.00 175.76 176.95 1lxk s MET 555 N 0.74 1.76 -0.05 0.00 0.00 0.14 -0.66 119.30 121.22 1lxk s MET 555 Ca -0.09 -0.83 -0.02 0.00 0.00 0.00 0.00 55.69 54.75 1lxk s MET 555 Cb -0.16 -1.73 0.04 0.00 0.00 0.00 0.00 34.83 32.98 1lxk s MET 555 CO -0.00 0.47 0.10 -0.47 0.00 0.00 0.00 175.02 175.12 1lxk s TYR 556 N -0.57 -0.07 -0.34 4.11 5.04 0.17 -0.19 117.35 125.49 1lxk s TYR 556 Ca 0.09 0.36 -0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1lxk s TYR 556 Cb -0.09 -0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.05 1lxk s TYR 556 CO -0.00 -0.16 0.12 1.21 -1.34 0.00 0.00 175.55 175.38 1lxk s ASN 557 N 1.44 5.38 0.30 4.32 3.84 -0.68 -1.36 114.94 128.18 1lxk s ASN 557 Ca -0.06 -1.06 0.15 0.00 0.21 0.00 0.00 52.86 52.10 1lxk s ASN 557 Cb -0.12 -1.90 0.33 0.00 -0.55 0.00 0.00 41.25 39.01 1lxk s ASN 557 CO -0.05 -0.32 1.57 0.00 -2.79 0.00 0.00 177.10 175.51 1lxk h ALA 558 N 8.27 0.81 -0.15 1.71 0.00 -1.84 0.66 119.26 128.71 1lxk h ALA 558 Ca -0.25 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1lxk h ALA 558 Cb 1.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1lxk h ALA 558 CO 0.62 0.68 -0.14 1.49 0.00 0.00 0.00 179.25 181.89 1lxk h GLU 559 N 0.00 0.37 0.00 0.00 4.81 -1.93 -3.30 114.58 114.53 1lxk h GLU 559 Ca -0.01 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1lxk h GLU 559 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1lxk h GLU 559 CO 0.07 0.74 -1.31 1.63 -0.73 0.00 0.00 179.01 179.40 1lxk n LYS 560 N -4.56 0.47 -2.50 1.92 4.76 -1.24 -5.03 118.16 111.99 1lxk n LYS 560 Ca -0.06 -0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.30 1lxk n LYS 560 Cb 0.36 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.94 1lxk n LYS 560 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lxk n GLY 561 N 1.29 0.33 3.02 0.72 0.00 0.20 -4.91 105.19 105.84 1lxk n GLY 561 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1lxk n GLY 561 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lxk s PHE 562 N -3.09 0.37 0.20 1.61 -0.12 -1.09 -4.65 117.98 111.22 1lxk s PHE 562 Ca 0.05 -0.66 0.10 0.00 -0.05 0.00 0.00 56.93 56.36 1lxk s PHE 562 Cb -0.02 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 1lxk s PHE 562 CO 0.19 -0.22 -0.11 0.20 -0.05 0.00 0.00 175.22 175.23 1lxk s GLY 563 N -1.84 1.73 -0.02 1.99 0.00 0.79 -1.68 107.32 108.28 1lxk s GLY 563 Ca -0.10 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1lxk s GLY 563 CO -0.03 -1.58 0.02 -0.12 0.00 0.00 0.00 173.10 171.39 1lxk s PHE 564 N -1.84 0.11 -0.08 1.90 5.36 0.73 -0.44 117.98 123.72 1lxk s PHE 564 Ca 0.26 0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 1lxk s PHE 564 Cb -0.08 -0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.33 1lxk s PHE 564 CO 0.15 -0.09 -0.20 0.20 -1.46 0.00 0.00 175.22 173.82 1lxk s GLY 565 N 0.95 1.13 -0.26 13.12 0.00 -0.45 0.25 107.32 122.06 1lxk s GLY 565 Ca -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1lxk s GLY 565 CO -0.02 -0.27 -0.03 -2.27 0.00 0.00 0.00 173.10 170.51 1lxk s LEU 566 N 0.30 3.36 -0.36 0.66 2.96 0.28 -0.36 118.68 125.51 1lxk s LEU 566 Ca -0.13 -0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 52.80 1lxk s LEU 566 Cb -0.16 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1lxk s LEU 566 CO 0.06 -0.15 0.19 -0.55 -1.32 0.00 0.00 176.35 174.59 1lxk s SER 567 N 1.35 5.69 0.20 3.68 0.15 0.21 -1.73 113.70 123.25 1lxk s SER 567 Ca 0.00 -0.90 0.02 0.00 0.70 0.00 0.00 55.95 55.77 1lxk s SER 567 Cb -0.17 -2.02 -0.01 0.00 -1.71 0.00 0.00 66.02 62.12 1lxk s SER 567 CO -0.03 -0.35 0.07 0.18 1.20 0.00 0.00 173.24 174.32 1lxk n LEU 568 N 4.99 0.00 -3.62 3.45 4.77 -0.94 -2.05 117.00 123.60 1lxk n LEU 568 Ca -0.12 -1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 54.24 1lxk n LEU 568 Cb 0.47 0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 42.04 1lxk n LEU 568 CO 0.36 -0.24 0.53 0.72 -1.33 0.00 0.00 177.39 177.43 1lxk s PHE 569 N -2.29 -0.33 0.00 -1.77 -0.71 -1.23 -4.72 117.98 106.93 1lxk s PHE 569 Ca 0.10 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 1lxk s PHE 569 Cb 0.00 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 1lxk s PHE 569 CO 0.07 -0.90 0.00 -1.13 -1.34 0.00 0.00 175.22 171.92 1lxk n SER 570 N -0.39 0.00 0.04 1.98 3.41 -1.24 -4.80 113.62 112.61 1lxk n SER 570 Ca -0.10 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1lxk n SER 570 Cb 0.62 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.02 1lxk n SER 570 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1lxk n SER 571 N 0.00 0.25 0.00 4.04 3.41 -0.81 0.12 113.62 120.62 1lxk n SER 571 Ca 0.00 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1lxk n SER 571 Cb 0.00 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 63.30 1lxk n SER 571 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1lxk n ARG 572 N -1.75 0.10 -4.03 4.33 1.74 -1.26 -4.76 116.66 111.02 1lxk n ARG 572 Ca 0.04 -0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 1lxk n ARG 572 Cb 0.27 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1lxk n ARG 572 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1lxk s THR 573 N -3.07 0.16 0.23 0.55 -4.23 -1.10 -4.83 115.64 103.35 1lxk s THR 573 Ca 0.06 -1.33 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 1lxk s THR 573 Cb 0.16 -0.86 -0.09 0.00 1.34 0.00 0.00 72.50 73.05 1lxk s THR 573 CO 0.84 -0.73 0.85 -0.22 -0.54 0.00 0.00 174.62 174.81 1lxk s LEU 574 N -2.15 4.51 0.00 4.79 2.96 -0.77 -3.73 118.68 124.28 1lxk s LEU 574 Ca -0.05 1.73 -0.25 0.00 -0.22 0.00 0.00 54.13 55.33 1lxk s LEU 574 Cb -0.01 -3.59 -0.19 0.00 0.50 0.00 0.00 46.19 42.90 1lxk s LEU 574 CO -0.05 0.10 1.35 -0.55 -1.32 0.00 0.00 176.35 175.88 1lxk h ASN 575 N 3.86 -0.04 -5.03 3.68 7.08 -1.67 -3.45 115.58 120.01 1lxk h ASN 575 Ca -0.47 -0.37 -0.11 0.00 -3.08 0.00 0.00 56.30 52.27 1lxk h ASN 575 Cb 1.20 0.01 -0.19 0.00 -2.08 0.00 0.00 38.32 37.26 1lxk h ASN 575 CO 0.66 0.35 -0.33 -0.72 -2.08 0.00 0.00 177.43 175.31 1lxk s TYR 576 N -4.64 -0.06 -0.22 4.14 1.13 -1.26 -4.33 117.35 112.11 1lxk s TYR 576 Ca -0.15 -0.01 -0.05 0.00 -1.41 0.00 0.00 57.07 55.44 1lxk s TYR 576 Cb 0.02 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1lxk s TYR 576 CO 0.66 -0.41 0.01 -2.00 -2.51 0.00 0.00 175.55 171.29 1lxk s GLU 577 N -1.96 3.56 -0.32 -3.49 2.12 -1.26 -3.40 118.70 113.96 1lxk s GLU 577 Ca -0.09 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1lxk s GLU 577 Cb -0.03 -3.12 0.09 0.00 0.26 0.00 0.00 34.13 31.33 1lxk s GLU 577 CO -0.00 -0.09 0.03 -1.58 -0.54 0.00 0.00 175.26 173.08 1lxk s HIS 578 N 1.28 3.26 0.02 5.30 5.65 -1.26 -4.25 115.29 125.30 1lxk s HIS 578 Ca 0.04 -2.62 0.01 0.00 0.25 0.00 0.00 55.06 52.74 1lxk s HIS 578 Cb -0.15 -2.51 -0.02 0.00 -1.18 0.00 0.00 32.58 28.73 1lxk s HIS 578 CO 0.01 -0.92 -0.05 1.41 -0.65 0.00 0.00 174.74 174.54 1lxk s MET 579 N 1.08 0.39 -1.36 2.88 0.00 -1.16 -4.84 119.30 116.29 1lxk s MET 579 Ca 0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 55.69 55.15 1lxk s MET 579 Cb -0.19 -0.13 0.02 0.00 0.00 0.00 0.00 34.83 34.54 1lxk s MET 579 CO -0.10 0.01 0.32 0.09 0.00 0.00 0.00 175.02 175.34 1lxk n ASN 580 N 1.83 -4.72 -0.50 1.11 3.02 -1.26 -1.37 115.26 113.37 1lxk n ASN 580 Ca -0.21 -0.14 -0.06 0.00 -0.03 0.00 0.00 54.58 54.13 1lxk n ASN 580 Cb 0.56 -3.90 -0.03 0.00 -0.61 0.00 0.00 39.78 35.80 1lxk n ASN 580 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1lxk n LYS 581 N -3.46 -0.74 -4.29 3.52 5.02 -1.26 -4.87 118.16 112.07 1lxk n LYS 581 Ca -0.11 0.64 -0.34 0.00 -2.02 0.00 0.00 58.31 56.48 1lxk n LYS 581 Cb 0.60 -4.47 -0.09 0.00 -0.02 0.00 0.00 35.03 31.05 1lxk n LYS 581 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1lxk s GLU 582 N -2.20 2.99 -0.94 1.97 2.02 -0.47 -1.89 118.70 120.17 1lxk s GLU 582 Ca 0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 1lxk s GLU 582 Cb 0.00 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 1lxk s GLU 582 CO 0.00 0.69 0.79 -1.71 0.02 0.00 0.00 175.26 175.05 1lxk n ASN 583 N 1.89 -2.68 0.26 -0.19 5.15 0.96 -2.97 115.26 117.68 1lxk n ASN 583 Ca -0.17 -0.51 0.11 0.00 -0.60 0.00 0.00 54.58 53.41 1lxk n ASN 583 Cb 0.53 -4.21 0.69 0.00 -0.53 0.00 0.00 39.78 36.26 1lxk n ASN 583 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1lxk h LYS 584 N -1.40 0.00 -0.68 1.20 6.56 -1.38 -3.24 116.57 117.62 1lxk h LYS 584 Ca -0.47 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 58.62 1lxk h LYS 584 Cb 1.27 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 32.53 1lxk h LYS 584 CO 0.39 0.12 -0.82 0.54 -2.06 0.00 0.00 179.45 177.62 1lxk n ARG 585 N -3.88 3.37 -0.46 3.15 5.12 -1.26 -4.59 116.66 118.11 1lxk n ARG 585 Ca -0.02 -4.07 0.06 0.00 -1.93 0.00 0.00 57.85 51.89 1lxk n ARG 585 Cb 0.21 -2.19 0.26 0.00 -1.16 0.00 0.00 32.46 29.58 1lxk n ARG 585 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lxk n GLY 586 N -0.72 2.03 0.23 -0.13 0.00 -1.22 -4.67 105.19 100.71 1lxk n GLY 586 Ca 0.40 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1lxk n GLY 586 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1lxk n TRP 587 N 0.69 0.31 -0.97 1.61 8.01 -1.26 -1.60 117.44 124.22 1lxk n TRP 587 Ca 0.18 0.79 0.09 0.00 -1.31 0.00 0.00 57.50 57.25 1lxk n TRP 587 Cb 0.70 -0.92 0.24 0.00 -2.01 0.00 0.00 31.31 29.31 1lxk n TRP 587 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1lxk n TYR 588 N -4.98 0.79 0.96 -5.99 4.01 -1.26 -4.67 117.16 106.01 1lxk n TYR 588 Ca 0.12 -0.88 0.09 0.00 -0.16 0.00 0.00 57.90 57.07 1lxk n TYR 588 Cb 0.40 -0.28 0.48 0.00 -0.31 0.00 0.00 39.34 39.62 1lxk n TYR 588 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1lxk n THR 589 N -0.61 0.25 -0.68 -0.72 -2.24 -0.63 -2.51 114.28 107.14 1lxk n THR 589 Ca 0.20 0.06 0.01 0.00 -2.27 0.00 0.00 64.05 62.05 1lxk n THR 589 Cb 0.84 -0.78 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1lxk n THR 589 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1lxk n SER 590 N -1.14 0.93 -2.08 3.42 7.64 -1.26 -4.50 113.62 116.63 1lxk n SER 590 Ca 0.11 -1.59 -0.17 0.00 1.01 0.00 0.00 58.87 58.22 1lxk n SER 590 Cb 0.10 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1lxk n SER 590 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1lxk n ASP 591 N -0.28 6.12 -0.10 6.43 9.92 -1.04 -3.51 116.55 134.08 1lxk n ASP 591 Ca 0.01 -2.93 0.00 0.00 -0.53 0.00 0.00 54.79 51.34 1lxk n ASP 591 Cb 0.42 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 1lxk n ASP 591 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lxk n GLY 592 N 1.06 0.72 3.77 0.44 0.00 -0.99 -4.32 105.19 105.87 1lxk n GLY 592 Ca 0.35 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1lxk n GLY 592 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lxk s MET 593 N -3.68 4.56 0.18 1.61 0.00 -0.87 -3.80 119.30 117.30 1lxk s MET 593 Ca 0.00 1.58 0.10 0.00 0.00 0.00 0.00 55.69 57.37 1lxk s MET 593 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 34.83 31.81 1lxk s MET 593 CO 0.00 0.20 -0.22 -0.59 0.00 0.00 0.00 175.02 174.41 1lxk s PHE 594 N -1.37 2.14 -0.01 4.11 -0.71 -0.74 -0.62 117.98 120.77 1lxk s PHE 594 Ca 0.48 -0.39 0.06 0.00 -1.04 0.00 0.00 56.93 56.04 1lxk s PHE 594 Cb -0.26 -1.06 -0.02 0.00 -1.21 0.00 0.00 43.02 40.47 1lxk s PHE 594 CO 0.33 0.44 -0.19 0.71 -1.34 0.00 0.00 175.22 175.17 1lxk s TYR 595 N -1.78 1.74 -0.14 3.49 1.51 0.51 -4.80 117.35 117.87 1lxk s TYR 595 Ca 0.19 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1lxk s TYR 595 Cb -0.07 -1.12 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1lxk s TYR 595 CO 0.09 -0.03 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.16 1lxk s LEU 596 N -0.47 1.86 -0.34 -1.29 2.96 -1.26 -1.34 118.68 118.80 1lxk s LEU 596 Ca 0.07 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1lxk s LEU 596 Cb -0.07 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.40 1lxk s LEU 596 CO -0.01 -0.00 0.10 -0.31 -1.32 0.00 0.00 176.35 174.82 1lxk s TYR 597 N 1.19 3.27 0.00 5.38 2.02 0.42 -4.95 117.35 124.68 1lxk s TYR 597 Ca -0.00 -1.51 0.00 0.00 -0.37 0.00 0.00 57.07 55.18 1lxk s TYR 597 Cb -0.14 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.10 1lxk s TYR 597 CO -0.07 -0.75 0.00 0.27 -1.57 0.00 0.00 175.55 173.43 1lxk n ASN 598 N 4.79 0.52 0.05 2.29 0.23 -1.26 -0.15 115.26 121.73 1lxk n ASN 598 Ca -0.12 0.00 0.21 0.00 -0.53 0.00 0.00 54.58 54.14 1lxk n ASN 598 Cb 0.44 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.88 1lxk n ASN 598 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1lxk h GLY 599 N 0.00 0.00 -7.65 4.83 0.00 -0.91 -3.31 103.07 96.04 1lxk h GLY 599 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1lxk h GLY 599 CO 0.00 0.00 1.37 -0.35 0.00 0.00 0.00 176.54 177.56 1lxk s ASP 600 N -5.33 6.92 0.66 0.19 2.15 -1.26 -4.84 116.67 115.16 1lxk s ASP 600 Ca -0.04 -2.64 0.44 0.00 0.43 0.00 0.00 52.55 50.74 1lxk s ASP 600 Cb 0.16 -2.43 2.41 0.00 -0.30 0.00 0.00 42.92 42.75 1lxk s ASP 600 CO 0.58 -0.91 2.35 -0.07 -0.17 0.00 0.00 175.17 176.95 1lxk h LEU 601 N 10.42 0.00 -1.34 -1.34 4.07 -1.97 -1.89 115.31 123.26 1lxk h LEU 601 Ca 0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1lxk h LEU 601 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1lxk h LEU 601 CO 1.25 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 177.07 1lxk n SER 602 N -3.05 2.04 -0.25 -0.43 3.41 -1.26 -4.62 113.62 109.47 1lxk n SER 602 Ca -0.03 -1.71 -0.09 0.00 -0.26 0.00 0.00 58.87 56.78 1lxk n SER 602 Cb 0.07 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1lxk n SER 602 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1lxk h HIS 603 N 2.96 -1.35 -0.01 7.33 6.17 -1.70 0.14 115.15 128.69 1lxk h HIS 603 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1lxk h HIS 603 Cb 0.64 0.67 0.00 0.00 2.52 0.00 0.00 27.41 31.24 1lxk h HIS 603 CO 0.06 -0.30 0.00 0.66 0.71 0.00 0.00 177.93 179.07 1lxk n TYR 604 N -4.65 0.02 -3.48 5.26 4.01 -1.26 -4.69 117.16 112.37 1lxk n TYR 604 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1lxk n TYR 604 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1lxk n TYR 604 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1lxk n SER 605 N -0.47 1.31 -3.83 7.72 7.64 0.50 -4.42 113.62 122.08 1lxk n SER 605 Ca 0.01 -0.82 -0.27 0.00 1.01 0.00 0.00 58.87 58.80 1lxk n SER 605 Cb 0.01 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1lxk n SER 605 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1lxk n ASP 606 N -1.38 -4.14 -0.18 6.43 8.00 -1.26 -2.64 116.55 121.38 1lxk n ASP 606 Ca 0.00 -0.76 -0.01 0.00 0.71 0.00 0.00 54.79 54.73 1lxk n ASP 606 Cb 0.00 -4.07 -0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1lxk n ASP 606 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lxk n GLY 607 N -1.70 0.38 0.08 0.44 0.00 -1.26 -4.94 105.19 98.19 1lxk n GLY 607 Ca -0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1lxk n GLY 607 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lxk h TYR 608 N -0.01 0.16 -0.89 1.61 3.20 -1.71 -3.03 116.97 116.28 1lxk h TYR 608 Ca -0.03 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1lxk h TYR 608 Cb 1.02 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 1lxk h TYR 608 CO 0.03 0.43 0.59 -1.49 -1.64 0.00 0.00 178.16 176.08 1lxk h TRP 609 N -0.17 1.10 -0.00 -3.82 4.06 -1.88 0.16 115.95 115.40 1lxk h TRP 609 Ca 0.02 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1lxk h TRP 609 Cb 0.38 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1lxk h TRP 609 CO 0.04 0.67 -0.19 -0.35 -3.56 0.00 0.00 178.44 175.05 1lxk n PRO 610 N -4.42 0.52 -0.00 0.49 -0.04 -1.24 -4.04 135.00 126.27 1lxk n PRO 610 Ca 0.11 -0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1lxk n PRO 610 Cb 0.05 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.97 1lxk n PRO 610 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1lxk n THR 611 N -1.04 0.00 -2.15 0.52 -2.24 -0.97 -3.93 114.28 104.48 1lxk n THR 611 Ca 0.12 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 1lxk n THR 611 Cb 0.31 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1lxk n THR 611 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lxk s VAL 612 N -2.33 2.86 -0.33 2.28 0.11 0.53 -4.66 120.40 118.86 1lxk s VAL 612 Ca -0.02 0.81 -0.29 0.00 -2.93 0.00 0.00 61.98 59.55 1lxk s VAL 612 Cb 0.05 -3.51 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1lxk s VAL 612 CO 0.30 0.17 1.43 0.21 -3.33 0.00 0.00 175.10 173.88 1lxk s ASN 613 N -0.21 6.43 0.43 3.54 2.47 -1.26 -4.88 114.94 121.46 1lxk s ASN 613 Ca 0.52 1.12 0.30 0.00 0.42 0.00 0.00 52.86 55.22 1lxk s ASN 613 Cb -0.39 -2.54 1.46 0.00 -1.45 0.00 0.00 41.25 38.34 1lxk s ASN 613 CO 0.48 -1.30 1.90 1.55 -3.72 0.00 0.00 177.10 176.01 1lxk h PRO 614 N 10.35 0.00 0.00 0.43 0.13 -1.92 -2.27 132.00 138.72 1lxk h PRO 614 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1lxk h PRO 614 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1lxk h PRO 614 CO 1.05 0.00 -0.16 0.66 -0.23 0.00 0.00 178.00 179.32 1lxk n TYR 615 N -2.59 0.02 -2.69 1.56 4.01 -1.26 -4.15 117.16 112.06 1lxk n TYR 615 Ca -0.01 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1lxk n TYR 615 Cb 0.14 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 1lxk n TYR 615 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1lxk n LYS 616 N -1.52 2.20 -1.88 -0.72 5.02 -0.85 -4.95 118.16 115.46 1lxk n LYS 616 Ca 0.06 -3.91 -0.42 0.00 -2.02 0.00 0.00 58.31 52.03 1lxk n LYS 616 Cb 0.34 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1lxk n LYS 616 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1lxk s MET 617 N -3.23 4.19 0.06 1.97 -1.94 -1.26 -4.70 119.30 114.40 1lxk s MET 617 Ca 0.39 2.44 -0.35 0.00 -1.71 0.00 0.00 55.69 56.47 1lxk s MET 617 Cb 0.41 -3.08 -0.14 0.00 2.01 0.00 0.00 34.83 34.03 1lxk s MET 617 CO -0.08 -0.57 1.64 -0.35 -0.01 0.00 0.00 175.02 175.66 1lxk n PRO 618 N 2.76 2.00 0.00 2.03 -0.04 -1.26 -2.21 135.00 138.28 1lxk n PRO 618 Ca 0.10 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1lxk n PRO 618 Cb 0.38 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1lxk n PRO 618 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lxk n GLY 619 N 3.63 3.26 3.79 0.55 0.00 0.32 -1.80 105.19 114.94 1lxk n GLY 619 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1lxk n GLY 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lxk s THR 620 N -2.45 3.96 -0.26 2.61 -4.23 -0.94 -4.70 115.64 109.63 1lxk s THR 620 Ca 0.00 1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 61.96 1lxk s THR 620 Cb 0.00 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1lxk s THR 620 CO 0.00 0.01 0.02 -0.89 -0.54 0.00 0.00 174.62 173.22 1lxk s THR 621 N -1.71 3.69 0.11 3.99 2.01 -1.26 -0.93 115.64 121.54 1lxk s THR 621 Ca 0.56 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 1lxk s THR 621 Cb -0.19 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1lxk s THR 621 CO 0.24 0.23 0.25 -1.61 -0.69 0.00 0.00 174.62 173.04 1lxk s GLU 622 N 1.49 0.93 0.59 4.92 0.41 -0.68 -4.95 118.70 121.41 1lxk s GLU 622 Ca 0.04 -0.94 -0.04 0.00 -0.41 0.00 0.00 54.97 53.62 1lxk s GLU 622 Cb -0.16 0.37 0.02 0.00 -1.78 0.00 0.00 34.13 32.59 1lxk s GLU 622 CO 0.00 -0.32 0.87 0.95 -0.49 0.00 0.00 175.26 176.27 1lxk s THR 623 N -3.86 3.21 -0.38 3.63 -4.23 -1.26 -2.10 115.64 110.64 1lxk s THR 623 Ca 0.06 -0.27 0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1lxk s THR 623 Cb 0.04 -3.27 0.61 0.00 1.34 0.00 0.00 72.50 71.22 1lxk s THR 623 CO -0.10 -0.25 1.62 -0.90 -0.54 0.00 0.00 174.62 174.45 1lxk n ASP 624 N -2.53 4.29 -4.74 3.99 5.75 -0.80 -4.97 116.55 117.54 1lxk n ASP 624 Ca 0.05 -3.00 -0.37 0.00 -0.01 0.00 0.00 54.79 51.46 1lxk n ASP 624 Cb 0.59 -0.71 0.05 0.00 -1.03 0.00 0.00 41.12 40.02 1lxk n ASP 624 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lxk s ALA 625 N -2.53 2.59 0.35 2.12 0.00 -1.26 -4.95 121.76 118.08 1lxk s ALA 625 Ca 0.45 1.25 -0.27 0.00 0.00 0.00 0.00 51.96 53.39 1lxk s ALA 625 Cb 0.36 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1lxk s ALA 625 CO 0.11 -1.46 1.19 0.21 0.00 0.00 0.00 175.76 175.81 1lxk s LYS 626 N -3.16 4.27 0.07 0.00 2.36 -1.26 -5.04 119.74 116.98 1lxk s LYS 626 Ca 0.77 1.93 0.08 0.00 -2.55 0.00 0.00 55.97 56.20 1lxk s LYS 626 Cb -0.38 -2.90 -0.04 0.00 -1.05 0.00 0.00 37.83 33.47 1lxk s LYS 626 CO 0.43 -0.16 -0.19 1.03 1.55 0.00 0.00 175.35 178.01 1lxk s ARG 627 N -1.97 1.92 -0.02 4.03 1.81 -1.26 -5.12 118.95 118.34 1lxk s ARG 627 Ca 0.52 -1.08 -0.15 0.00 -1.72 0.00 0.00 55.73 53.30 1lxk s ARG 627 Cb -0.33 -2.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.97 1lxk s ARG 627 CO 0.43 0.51 0.41 0.00 -0.68 0.00 0.00 175.30 175.97 1lxk s ALA 628 N -1.01 3.67 0.40 2.13 0.00 -1.26 -4.97 121.76 120.71 1lxk s ALA 628 Ca 0.16 -0.22 0.20 0.00 0.00 0.00 0.00 51.96 52.10 1lxk s ALA 628 Cb -0.10 -2.42 1.12 0.00 0.00 0.00 0.00 23.12 21.72 1lxk s ALA 628 CO 0.07 0.42 1.97 -0.44 0.00 0.00 0.00 175.76 177.78 1lxk h ASP 629 N 4.97 0.00 0.81 0.00 5.19 -2.01 -2.20 116.42 123.19 1lxk h ASP 629 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1lxk h ASP 629 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1lxk h ASP 629 CO 0.63 0.21 0.00 -1.54 -3.12 0.00 0.00 179.24 175.42 1lxk n SER 630 N -3.91 0.25 -4.57 6.45 3.41 -1.26 -4.79 113.62 109.19 1lxk n SER 630 Ca -0.02 0.54 -0.30 0.00 -0.26 0.00 0.00 58.87 58.84 1lxk n SER 630 Cb 0.29 -0.60 0.21 0.00 -0.26 0.00 0.00 64.21 63.85 1lxk n SER 630 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1lxk n ASP 631 N -1.75 -0.64 -4.14 4.04 9.92 -0.83 -5.06 116.55 118.09 1lxk n ASP 631 Ca 0.04 0.16 -0.10 0.00 -0.53 0.00 0.00 54.79 54.36 1lxk n ASP 631 Cb 0.26 -1.37 -0.10 0.00 -0.64 0.00 0.00 41.12 39.27 1lxk n ASP 631 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1lxk s THR 632 N -2.53 0.06 0.99 -3.53 -4.23 -1.26 -4.87 115.64 100.27 1lxk s THR 632 Ca 0.67 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1lxk s THR 632 Cb -0.24 -2.20 0.17 0.00 1.34 0.00 0.00 72.50 71.58 1lxk s THR 632 CO 0.61 -0.26 1.02 0.61 -0.54 0.00 0.00 174.62 176.06 1lxk n GLY 633 N -0.18 -0.98 3.16 3.99 0.00 -1.22 -5.03 105.19 104.94 1lxk n GLY 633 Ca -0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1lxk n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lxk s LYS 634 N -4.46 0.83 0.42 1.61 -0.14 -1.26 -4.94 119.74 111.79 1lxk s LYS 634 Ca 0.66 -1.24 0.02 0.00 -1.36 0.00 0.00 55.97 54.05 1lxk s LYS 634 Cb -0.23 0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 36.18 1lxk s LYS 634 CO 0.61 -0.23 0.62 0.14 -0.76 0.00 0.00 175.35 175.73 1lxk s VAL 635 N -3.96 4.11 0.21 3.17 -7.23 -1.26 -1.67 120.40 113.78 1lxk s VAL 635 Ca 0.13 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 1lxk s VAL 635 Cb 0.07 -3.50 -0.08 0.00 0.56 0.00 0.00 36.38 33.43 1lxk s VAL 635 CO -0.05 -0.31 0.72 -0.22 -0.31 0.00 0.00 175.10 174.93 1lxk s LEU 636 N -4.45 4.36 0.25 1.32 2.96 0.12 -4.90 118.68 118.33 1lxk s LEU 636 Ca 0.47 1.42 -0.05 0.00 -0.22 0.00 0.00 54.13 55.75 1lxk s LEU 636 Cb -0.10 -3.55 0.36 0.00 0.50 0.00 0.00 46.19 43.40 1lxk s LEU 636 CO 0.36 0.05 1.85 -0.65 -1.32 0.00 0.00 176.35 176.64 1lxk h PRO 637 N 3.50 0.95 -6.41 0.98 0.11 -1.91 -2.90 132.00 126.32 1lxk h PRO 637 Ca -0.48 -0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.03 1lxk h PRO 637 Cb 1.19 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1lxk h PRO 637 CO 0.65 0.63 -0.14 0.45 -0.21 0.00 0.00 178.00 179.38 1lxk s SER 638 N -5.77 6.58 0.00 -2.05 0.15 -1.26 -4.76 113.70 106.59 1lxk s SER 638 Ca -0.13 0.85 0.24 0.00 0.70 0.00 0.00 55.95 57.61 1lxk s SER 638 Cb 0.19 -2.20 0.18 0.00 -1.71 0.00 0.00 66.02 62.48 1lxk s SER 638 CO 0.79 -0.08 1.24 0.00 1.20 0.00 0.00 173.24 176.40 1lxk n ALA 639 N -0.24 2.64 -2.08 5.45 0.00 -1.26 -1.93 120.51 123.08 1lxk n ALA 639 Ca -0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 1lxk n ALA 639 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1lxk n ALA 639 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1lxk n PHE 640 N 1.11 3.75 -3.73 0.00 7.35 -1.26 -3.70 117.46 120.98 1lxk n PHE 640 Ca 0.13 -2.94 -0.14 0.00 -0.76 0.00 0.00 57.45 53.74 1lxk n PHE 640 Cb 0.57 -2.45 -0.14 0.00 0.35 0.00 0.00 39.48 37.81 1lxk n PHE 640 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1lxk s VAL 641 N 2.82 -0.10 0.00 -2.13 1.01 -1.26 -1.27 120.40 119.47 1lxk s VAL 641 Ca 0.47 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1lxk s VAL 641 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1lxk s VAL 641 CO -0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1lxk n GLY 642 N 4.45 1.24 3.22 4.51 0.00 -0.71 -4.75 105.19 113.16 1lxk n GLY 642 Ca -0.22 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1lxk n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lxk s THR 643 N -2.00 1.90 -0.33 2.61 2.01 -1.26 -1.76 115.64 116.81 1lxk s THR 643 Ca 0.00 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1lxk s THR 643 Cb 0.00 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.95 1lxk s THR 643 CO 0.00 0.53 0.07 -0.55 -0.69 0.00 0.00 174.62 173.98 1lxk s SER 644 N 0.07 5.07 -0.16 3.53 0.15 0.32 -4.93 113.70 117.74 1lxk s SER 644 Ca -0.09 -1.43 -0.19 0.00 0.70 0.00 0.00 55.95 54.94 1lxk s SER 644 Cb -0.15 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1lxk s SER 644 CO 0.05 -0.34 0.54 -0.75 1.20 0.00 0.00 173.24 173.94 1lxk s LYS 645 N 1.26 4.26 -0.18 5.44 2.20 -1.26 -1.69 119.74 129.76 1lxk s LYS 645 Ca -0.01 0.50 -0.24 0.00 -0.36 0.00 0.00 55.97 55.86 1lxk s LYS 645 Cb -0.20 -3.52 -0.22 0.00 -1.51 0.00 0.00 37.83 32.38 1lxk s LYS 645 CO -0.01 -0.06 0.42 1.25 -0.36 0.00 0.00 175.35 176.59 1lxk h LEU 646 N 7.52 0.01 0.00 5.43 5.85 -1.20 -3.46 115.31 129.47 1lxk h LEU 646 Ca -0.36 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 57.67 1lxk h LEU 646 Cb 1.16 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1lxk h LEU 646 CO 0.75 1.32 0.00 -0.90 -0.34 0.00 0.00 178.44 179.28 1lxk n ASP 647 N -4.48 0.00 0.02 1.25 5.68 -1.06 -4.99 116.55 112.98 1lxk n ASP 647 Ca -0.24 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.16 1lxk n ASP 647 Cb 0.62 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.07 1lxk n ASP 647 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1lxk n ASP 648 N 0.00 0.14 0.00 -1.12 8.00 -1.26 -3.73 116.55 118.58 1lxk n ASP 648 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1lxk n ASP 648 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1lxk n ASP 648 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lxk n ALA 649 N -1.55 1.77 -3.03 2.24 0.00 -1.26 -2.81 120.51 115.87 1lxk n ALA 649 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 1lxk n ALA 649 Cb 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.57 1lxk n ALA 649 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1lxk s ASN 650 N -1.22 1.86 0.04 0.00 0.01 -1.24 0.31 114.94 114.69 1lxk s ASN 650 Ca 0.00 -0.30 -0.27 0.00 -0.71 0.00 0.00 52.86 51.58 1lxk s ASN 650 Cb 0.00 -0.57 0.09 0.00 0.41 0.00 0.00 41.25 41.18 1lxk s ASN 650 CO 0.00 0.11 0.79 0.00 -1.51 0.00 0.00 177.10 176.49 1lxk s ALA 651 N 0.18 -1.75 0.04 0.60 0.00 -0.68 -0.69 121.76 119.46 1lxk s ALA 651 Ca -0.05 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1lxk s ALA 651 Cb -0.11 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1lxk s ALA 651 CO 0.02 -0.69 -0.14 0.99 0.00 0.00 0.00 175.76 175.95 1lxk s THR 652 N -3.17 1.10 0.05 0.00 2.01 -0.68 -0.31 115.64 114.64 1lxk s THR 652 Ca 0.03 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 1lxk s THR 652 Cb -0.01 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1lxk s THR 652 CO -0.09 0.02 -0.04 0.00 -0.69 0.00 0.00 174.62 173.81 1lxk s ALA 653 N -0.83 0.54 0.03 7.40 0.00 0.19 -0.52 121.76 128.57 1lxk s ALA 653 Ca 0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 1lxk s ALA 653 Cb -0.08 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1lxk s ALA 653 CO 0.01 -0.30 0.28 -0.08 0.00 0.00 0.00 175.76 175.68 1lxk s THR 654 N -3.36 0.08 -0.10 0.00 -1.32 -0.72 -0.71 115.64 109.51 1lxk s THR 654 Ca 0.04 -0.67 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1lxk s THR 654 Cb 0.04 -0.86 0.05 0.00 -1.51 0.00 0.00 72.50 70.22 1lxk s THR 654 CO -0.07 -0.37 0.10 -0.32 -2.21 0.00 0.00 174.62 171.75 1lxk s MET 655 N -2.28 0.00 -1.27 7.08 0.00 0.42 -1.74 119.30 121.51 1lxk s MET 655 Ca -0.07 0.26 -0.19 0.00 0.00 0.00 0.00 55.69 55.70 1lxk s MET 655 Cb -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 34.83 33.91 1lxk s MET 655 CO -0.02 -0.45 1.87 -3.47 0.00 0.00 0.00 175.02 172.95 1lxk n ASP 656 N 5.30 4.21 -4.74 1.11 2.03 -0.40 -2.43 116.55 121.63 1lxk n ASP 656 Ca -0.05 -2.84 -0.41 0.00 0.52 0.00 0.00 54.79 52.01 1lxk n ASP 656 Cb 0.50 -1.69 -0.04 0.00 -0.72 0.00 0.00 41.12 39.17 1lxk n ASP 656 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1lxk s PHE 657 N 5.54 3.45 -0.06 -0.67 5.36 -0.82 -4.64 117.98 126.15 1lxk s PHE 657 Ca 0.56 1.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.99 1lxk s PHE 657 Cb 0.05 -3.40 0.04 0.00 -0.34 0.00 0.00 43.02 39.37 1lxk s PHE 657 CO 0.07 -1.06 0.12 0.99 -1.46 0.00 0.00 175.22 173.88 1lxk s THR 658 N -0.29 -0.05 0.86 0.12 2.01 -1.26 -1.80 115.64 115.23 1lxk s THR 658 Ca 0.51 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.58 1lxk s THR 658 Cb -0.32 -0.21 0.11 0.00 0.01 0.00 0.00 72.50 72.09 1lxk s THR 658 CO 0.38 0.08 1.12 0.54 -0.69 0.00 0.00 174.62 176.04 1lxk s ASN 659 N 1.16 3.90 0.57 3.53 4.22 -0.21 -4.89 114.94 123.23 1lxk s ASN 659 Ca -0.09 1.12 0.37 0.00 -2.14 0.00 0.00 52.86 52.12 1lxk s ASN 659 Cb -0.12 -1.76 1.44 0.00 1.28 0.00 0.00 41.25 42.09 1lxk s ASN 659 CO -0.05 -2.32 1.64 4.11 -2.04 0.00 0.00 177.10 178.44 1lxk h TRP 660 N -1.33 0.00 0.00 1.54 5.08 -1.98 0.07 115.95 119.33 1lxk h TRP 660 Ca -0.49 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.48 1lxk h TRP 660 Cb 1.30 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1lxk h TRP 660 CO 0.37 0.00 -0.13 0.27 -1.28 0.00 0.00 178.44 177.67 1lxk n ASN 661 N -3.81 2.18 -3.99 0.11 2.04 -1.26 -5.00 115.26 105.53 1lxk n ASN 661 Ca 0.27 -3.30 -0.33 0.00 -0.44 0.00 0.00 54.58 50.79 1lxk n ASN 661 Cb 1.42 -0.46 -0.01 0.00 -2.53 0.00 0.00 39.78 38.21 1lxk n ASN 661 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1lxk n GLN 662 N -1.35 -1.69 0.00 -3.83 3.00 0.01 -4.85 117.38 108.67 1lxk n GLN 662 Ca 0.17 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1lxk n GLN 662 Cb 0.65 -3.81 0.00 0.00 0.00 0.00 0.00 30.24 27.08 1lxk n GLN 662 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1lxk n THR 663 N -4.53 0.00 -3.83 5.09 -2.24 -1.26 -4.97 114.28 102.53 1lxk n THR 663 Ca -0.22 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.00 1lxk n THR 663 Cb 0.64 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.76 1lxk n THR 663 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1lxk s LEU 664 N -1.45 1.60 0.18 3.22 0.20 -1.26 -1.00 118.68 120.17 1lxk s LEU 664 Ca 0.00 0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.06 1lxk s LEU 664 Cb 0.00 0.35 -0.05 0.00 -0.43 0.00 0.00 46.19 46.06 1lxk s LEU 664 CO 0.00 -0.04 -0.04 0.42 -0.29 0.00 0.00 176.35 176.41 1lxk s THR 665 N 0.07 0.98 -0.29 3.68 -4.23 -0.72 -1.05 115.64 114.08 1lxk s THR 665 Ca -0.00 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 1lxk s THR 665 Cb -0.01 -2.11 0.16 0.00 1.34 0.00 0.00 72.50 71.89 1lxk s THR 665 CO 0.00 -0.52 1.22 0.00 -0.54 0.00 0.00 174.62 174.78 1lxk s ALA 666 N -3.46 -2.20 -0.75 3.99 0.00 -0.74 -2.21 121.76 116.39 1lxk s ALA 666 Ca 0.23 1.86 -0.19 0.00 0.00 0.00 0.00 51.96 53.85 1lxk s ALA 666 Cb 0.05 -1.68 0.12 0.00 0.00 0.00 0.00 23.12 21.60 1lxk s ALA 666 CO 0.04 -0.21 0.92 -1.01 0.00 0.00 0.00 175.76 175.51 1lxk s HIS 667 N 0.40 3.05 -0.10 0.00 3.76 0.44 -1.94 115.29 120.90 1lxk s HIS 667 Ca 0.02 -1.13 -0.16 0.00 -0.15 0.00 0.00 55.06 53.64 1lxk s HIS 667 Cb -0.04 -4.15 -0.05 0.00 1.11 0.00 0.00 32.58 29.45 1lxk s HIS 667 CO -0.12 -1.41 0.41 0.15 -0.85 0.00 0.00 174.74 172.92 1lxk s LYS 668 N 2.73 4.20 0.04 1.40 1.02 -1.02 -1.96 119.74 126.16 1lxk s LYS 668 Ca 0.22 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.55 1lxk s LYS 668 Cb -0.14 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1lxk s LYS 668 CO 0.00 0.32 -0.05 -1.12 -0.92 0.00 0.00 175.35 173.58 1lxk s SER 669 N 0.12 0.61 -0.01 2.83 0.01 0.64 -0.44 113.70 117.47 1lxk s SER 669 Ca 0.23 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1lxk s SER 669 Cb -0.15 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 1lxk s SER 669 CO 0.09 -0.36 -0.08 0.26 0.41 0.00 0.00 173.24 173.56 1lxk s TRP 670 N -2.27 0.75 -0.34 2.43 0.51 0.11 -1.36 118.94 118.77 1lxk s TRP 670 Ca -0.05 -0.15 0.02 0.00 -2.12 0.00 0.00 56.10 53.80 1lxk s TRP 670 Cb -0.04 -0.50 0.10 0.00 -0.81 0.00 0.00 33.47 32.22 1lxk s TRP 670 CO -0.03 -0.03 0.07 -0.06 -0.51 0.00 0.00 176.95 176.39 1lxk s PHE 671 N -0.08 3.07 -0.42 -1.98 0.40 -0.44 -0.64 117.98 117.89 1lxk s PHE 671 Ca 0.02 -2.60 -0.26 0.00 -0.60 0.00 0.00 56.93 53.48 1lxk s PHE 671 Cb -0.04 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 40.99 1lxk s PHE 671 CO -0.00 -0.92 0.97 -1.64 0.70 0.00 0.00 175.22 174.33 1lxk s MET 672 N 1.08 3.70 -0.61 0.44 -1.94 0.57 -1.65 119.30 120.90 1lxk s MET 672 Ca 0.11 0.43 0.06 0.00 -1.71 0.00 0.00 55.69 54.57 1lxk s MET 672 Cb -0.19 -3.87 0.23 0.00 2.01 0.00 0.00 34.83 33.01 1lxk s MET 672 CO -0.13 -1.13 0.64 1.28 -0.01 0.00 0.00 175.02 175.67 1lxk n LEU 673 N 7.13 2.94 0.00 -0.03 4.77 0.07 -1.68 117.00 130.19 1lxk n LEU 673 Ca 0.08 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 1lxk n LEU 673 Cb 0.48 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1lxk n LEU 673 CO 0.63 1.99 0.00 1.17 -1.33 0.00 0.00 177.39 179.84 1lxk n LYS 674 N 1.26 0.00 -0.41 3.23 4.81 0.15 -3.27 118.16 123.92 1lxk n LYS 674 Ca 0.27 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.79 1lxk n LYS 674 Cb 0.42 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.71 1lxk n LYS 674 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1lxk n ASP 675 N 1.43 3.77 -3.56 3.14 5.68 -1.26 -4.80 116.55 120.95 1lxk n ASP 675 Ca 0.00 -2.79 -0.07 0.00 -0.50 0.00 0.00 54.79 51.43 1lxk n ASP 675 Cb 0.00 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 39.48 1lxk n ASP 675 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1lxk s LYS 676 N -2.42 0.95 -0.04 0.11 -2.85 -1.20 -4.46 119.74 109.82 1lxk s LYS 676 Ca 0.39 -0.40 0.01 0.00 -1.00 0.00 0.00 55.97 54.96 1lxk s LYS 676 Cb 0.30 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.49 1lxk s LYS 676 CO 0.11 -0.42 -0.03 0.42 0.10 0.00 0.00 175.35 175.53 1lxk s ILE 677 N -3.20 0.43 -0.13 3.79 1.09 -0.79 -0.75 121.20 121.64 1lxk s ILE 677 Ca 0.07 -0.04 -0.07 0.00 -1.10 0.00 0.00 60.65 59.51 1lxk s ILE 677 Cb -0.01 -0.49 -0.04 0.00 -1.06 0.00 0.00 42.46 40.86 1lxk s ILE 677 CO -0.06 0.21 0.13 0.00 -0.10 0.00 0.00 174.94 175.11 1lxk s ALA 678 N 1.09 3.79 -0.22 9.38 0.00 -0.66 0.51 121.76 135.66 1lxk s ALA 678 Ca -0.09 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1lxk s ALA 678 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1lxk s ALA 678 CO -0.01 0.54 -0.01 -0.06 0.00 0.00 0.00 175.76 176.22 1lxk s PHE 679 N -0.79 3.00 -0.04 0.00 0.40 0.15 -1.33 117.98 119.37 1lxk s PHE 679 Ca 0.14 -0.68 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1lxk s PHE 679 Cb -0.12 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 1lxk s PHE 679 CO 0.03 -0.40 -0.20 -0.51 0.70 0.00 0.00 175.22 174.84 1lxk s LEU 680 N 1.30 1.98 -0.02 -0.37 1.43 -0.46 -1.48 118.68 121.06 1lxk s LEU 680 Ca 0.04 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1lxk s LEU 680 Cb -0.15 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1lxk s LEU 680 CO -0.00 0.20 -0.01 -0.83 0.23 0.00 0.00 176.35 175.94 1lxk s GLY 681 N -0.15 0.20 0.18 -3.19 0.00 -0.11 -0.26 107.32 103.99 1lxk s GLY 681 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 1lxk s GLY 681 CO 0.02 0.37 0.21 -1.35 0.00 0.00 0.00 173.10 172.35 1lxk s SER 682 N 0.66 0.12 -1.36 1.64 1.04 -0.83 -0.58 113.70 114.39 1lxk s SER 682 Ca -0.06 -1.13 -0.08 0.00 0.48 0.00 0.00 55.95 55.15 1lxk s SER 682 Cb -0.09 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1lxk s SER 682 CO -0.01 -0.88 1.08 -3.20 0.98 0.00 0.00 173.24 171.21 1lxk n ASN 683 N -0.23 -6.29 -4.65 7.02 4.05 -1.12 -0.42 115.26 113.62 1lxk n ASN 683 Ca -0.03 -0.49 -0.43 0.00 0.45 0.00 0.00 54.58 54.08 1lxk n ASN 683 Cb 0.64 -4.94 -0.02 0.00 1.23 0.00 0.00 39.78 36.69 1lxk n ASN 683 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1lxk s ILE 684 N -3.29 4.53 0.06 -1.44 1.01 -0.55 -4.01 121.20 117.51 1lxk s ILE 684 Ca 0.54 1.82 0.06 0.00 0.00 0.00 0.00 60.65 63.06 1lxk s ILE 684 Cb -0.24 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 1lxk s ILE 684 CO 0.67 -0.28 -0.16 -1.10 0.00 0.00 0.00 174.94 174.07 1lxk s GLN 685 N 3.45 0.94 -0.15 2.79 -0.21 -0.94 -0.56 119.66 124.98 1lxk s GLN 685 Ca 0.47 -0.92 -0.04 0.00 0.02 0.00 0.00 55.36 54.89 1lxk s GLN 685 Cb -0.15 -1.00 0.06 0.00 1.00 0.00 0.00 33.01 32.92 1lxk s GLN 685 CO 0.11 0.23 0.15 1.21 -2.12 0.00 0.00 175.29 174.87 1lxk s ASN 686 N -1.51 1.54 0.00 5.90 2.47 -1.26 -1.75 114.94 120.33 1lxk s ASN 686 Ca 0.01 -0.19 0.24 0.00 0.42 0.00 0.00 52.86 53.33 1lxk s ASN 686 Cb -0.09 0.09 0.22 0.00 -1.45 0.00 0.00 41.25 40.01 1lxk s ASN 686 CO 0.02 -0.31 1.23 0.35 -3.72 0.00 0.00 177.10 174.67 1lxk n THR 687 N 5.31 0.00 -1.98 -5.21 -2.24 -0.17 -4.95 114.28 105.03 1lxk n THR 687 Ca -0.06 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1lxk n THR 687 Cb 0.49 0.99 0.06 0.00 -2.10 0.00 0.00 70.33 69.78 1lxk n THR 687 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1lxk n SER 688 N -0.24 0.33 -0.05 3.42 3.41 -1.25 -5.04 113.62 114.20 1lxk n SER 688 Ca 0.10 -1.34 -0.05 0.00 -0.26 0.00 0.00 58.87 57.32 1lxk n SER 688 Cb 0.43 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 1lxk n SER 688 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lxk n THR 689 N -2.24 1.22 -1.89 6.66 -2.24 -1.26 -4.96 114.28 109.58 1lxk n THR 689 Ca 0.06 -0.77 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 1lxk n THR 689 Cb 0.22 -0.56 0.05 0.00 -2.10 0.00 0.00 70.33 67.94 1lxk n THR 689 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1lxk s ASP 690 N -5.53 4.98 0.44 3.42 1.01 -1.26 -4.99 116.67 114.74 1lxk s ASP 690 Ca -0.08 2.38 -0.20 0.00 0.71 0.00 0.00 52.55 55.36 1lxk s ASP 690 Cb 0.08 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 1lxk s ASP 690 CO 0.84 -1.74 0.95 0.42 0.21 0.00 0.00 175.17 175.85 1lxk s THR 691 N -1.68 4.41 -0.01 -1.27 -4.23 -1.26 -4.78 115.64 106.83 1lxk s THR 691 Ca 0.77 1.45 0.02 0.00 -1.18 0.00 0.00 61.69 62.75 1lxk s THR 691 Cb -0.30 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1lxk s THR 691 CO 0.36 -0.36 -0.04 0.00 -0.54 0.00 0.00 174.62 174.04 1lxk s ALA 692 N -2.23 3.11 -0.05 3.99 0.00 -1.26 -1.90 121.76 123.42 1lxk s ALA 692 Ca 0.61 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 1lxk s ALA 692 Cb -0.09 -1.22 0.09 0.00 0.00 0.00 0.00 23.12 21.90 1lxk s ALA 692 CO 0.15 0.62 0.81 0.00 0.00 0.00 0.00 175.76 177.34 1lxk s ALA 693 N -1.01 -1.81 -0.13 0.00 0.00 -0.89 0.38 121.76 118.30 1lxk s ALA 693 Ca 0.17 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 1lxk s ALA 693 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1lxk s ALA 693 CO 0.08 -0.45 -0.03 0.99 0.00 0.00 0.00 175.76 176.35 1lxk s THR 694 N -1.78 3.98 -0.42 0.00 2.01 -0.37 -1.68 115.64 117.38 1lxk s THR 694 Ca -0.04 -0.34 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 1lxk s THR 694 Cb -0.00 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1lxk s THR 694 CO 0.01 0.52 0.84 -0.89 -0.69 0.00 0.00 174.62 174.42 1lxk s THR 695 N 0.01 4.61 0.30 -0.82 2.01 -0.10 -1.26 115.64 120.39 1lxk s THR 695 Ca 0.01 0.75 0.09 0.00 0.31 0.00 0.00 61.69 62.84 1lxk s THR 695 Cb -0.13 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.08 1lxk s THR 695 CO 0.02 -0.65 1.70 0.40 -0.69 0.00 0.00 174.62 175.40 1lxk h ILE 696 N 5.92 1.34 -1.16 1.82 2.04 -0.75 0.93 117.51 127.66 1lxk h ILE 696 Ca -0.24 -1.64 0.28 0.00 1.00 0.00 0.00 64.86 64.25 1lxk h ILE 696 Cb 1.08 1.82 -0.23 0.00 -0.74 0.00 0.00 36.82 38.76 1lxk h ILE 696 CO 0.97 0.48 0.92 -0.62 0.00 0.00 0.00 178.15 179.90 1lxk s ASP 697 N -6.89 -0.06 -0.35 1.72 -1.08 -0.86 -4.26 116.67 104.89 1lxk s ASP 697 Ca -0.03 0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.04 1lxk s ASP 697 Cb 0.13 0.06 0.15 0.00 -1.46 0.00 0.00 42.92 41.80 1lxk s ASP 697 CO 0.76 -0.08 0.31 -1.58 0.52 0.00 0.00 175.17 175.10 1lxk s GLN 698 N -1.75 0.56 -0.16 4.34 0.74 -1.25 -0.41 119.66 121.74 1lxk s GLN 698 Ca 0.10 -0.94 -0.12 0.00 0.05 0.00 0.00 55.36 54.46 1lxk s GLN 698 Cb -0.01 -0.92 -0.05 0.00 1.10 0.00 0.00 33.01 33.13 1lxk s GLN 698 CO -0.05 -1.18 0.22 0.50 -0.55 0.00 0.00 175.29 174.24 1lxk s ARG 699 N 1.42 4.08 -0.01 1.67 6.06 -0.46 -4.84 118.95 126.88 1lxk s ARG 699 Ca 0.16 -0.03 -0.29 0.00 -2.50 0.00 0.00 55.73 53.08 1lxk s ARG 699 Cb -0.18 -3.37 -0.03 0.00 0.06 0.00 0.00 34.95 31.43 1lxk s ARG 699 CO -0.06 0.37 0.92 0.21 -2.50 0.00 0.00 175.30 174.25 1lxk s LYS 700 N 0.09 4.54 0.36 5.12 2.20 -1.26 -0.91 119.74 129.88 1lxk s LYS 700 Ca 0.14 1.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.08 1lxk s LYS 700 Cb -0.12 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1lxk s LYS 700 CO 0.02 -0.01 0.54 -0.51 -0.36 0.00 0.00 175.35 175.03 1lxk s LEU 701 N 0.92 3.95 -0.22 5.43 1.43 0.14 -4.95 118.68 125.38 1lxk s LEU 701 Ca 0.49 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1lxk s LEU 701 Cb -0.20 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1lxk s LEU 701 CO 0.26 -0.40 -0.05 -1.61 0.23 0.00 0.00 176.35 174.79 1lxk s GLU 702 N -4.31 3.35 0.63 1.70 2.02 -1.26 -4.58 118.70 116.25 1lxk s GLU 702 Ca 0.42 -0.64 0.33 0.00 0.02 0.00 0.00 54.97 55.10 1lxk s GLU 702 Cb -0.10 -3.00 1.83 0.00 0.10 0.00 0.00 34.13 32.97 1lxk s GLU 702 CO 0.35 -0.21 2.12 0.66 0.02 0.00 0.00 175.26 178.20 1lxk h SER 703 N 8.11 0.00 1.09 -0.19 4.64 -1.98 0.36 113.55 125.57 1lxk h SER 703 Ca -0.41 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.72 1lxk h SER 703 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1lxk h SER 703 CO 0.60 0.00 -0.91 0.77 -0.87 0.00 0.00 176.83 176.43 1lxk h SER 704 N 0.00 0.00 -2.72 4.97 4.64 -2.05 -3.39 113.55 115.00 1lxk h SER 704 Ca 0.05 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.76 1lxk h SER 704 Cb 0.44 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.11 1lxk h SER 704 CO -0.00 0.90 -0.64 0.59 -0.87 0.00 0.00 176.83 176.81 1lxk n ASN 705 N -3.32 2.80 -4.76 4.97 5.03 0.11 -5.10 115.26 114.99 1lxk n ASN 705 Ca 0.00 -3.18 -0.37 0.00 0.87 0.00 0.00 54.58 51.90 1lxk n ASN 705 Cb 0.90 -0.71 0.02 0.00 -1.02 0.00 0.00 39.78 38.97 1lxk n ASN 705 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1lxk s PRO 706 N -1.61 3.33 0.15 3.52 0.04 -1.23 -4.43 135.00 134.77 1lxk s PRO 706 Ca 0.30 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 63.25 1lxk s PRO 706 Cb 0.03 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1lxk s PRO 706 CO -0.13 -0.95 0.38 0.71 0.04 0.00 0.00 177.00 177.06 1lxk s TYR 707 N -1.47 3.47 -0.36 0.56 2.02 -1.26 -4.66 117.35 115.66 1lxk s TYR 707 Ca 0.70 0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 57.88 1lxk s TYR 707 Cb -0.33 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1lxk s TYR 707 CO 0.39 0.42 0.14 0.21 -1.57 0.00 0.00 175.55 175.14 1lxk s LYS 708 N -2.74 2.54 0.00 -0.62 2.36 0.90 -4.88 119.74 117.30 1lxk s LYS 708 Ca 0.41 -1.30 -0.24 0.00 -2.55 0.00 0.00 55.97 52.28 1lxk s LYS 708 Cb -0.12 -3.51 -0.05 0.00 -1.05 0.00 0.00 37.83 33.10 1lxk s LYS 708 CO 0.25 -0.76 0.74 0.08 1.55 0.00 0.00 175.35 177.22 1lxk s VAL 709 N 1.37 4.86 -0.06 4.02 1.01 -1.26 -1.18 120.40 129.16 1lxk s VAL 709 Ca -0.00 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.57 1lxk s VAL 709 Cb -0.21 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1lxk s VAL 709 CO 0.02 0.32 -0.14 -0.31 0.00 0.00 0.00 175.10 174.99 1lxk s TYR 710 N 0.28 1.54 -0.18 5.22 1.51 -0.02 0.30 117.35 125.99 1lxk s TYR 710 Ca 0.38 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1lxk s TYR 710 Cb -0.19 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 1lxk s TYR 710 CO 0.21 -0.24 -0.14 0.08 -1.11 0.00 0.00 175.55 174.35 1lxk s VAL 711 N 0.42 2.58 -1.45 0.71 1.01 -0.77 0.15 120.40 123.05 1lxk s VAL 711 Ca -0.11 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1lxk s VAL 711 Cb -0.14 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1lxk s VAL 711 CO 0.03 0.50 0.95 0.59 0.00 0.00 0.00 175.10 177.17 1lxk n ASN 712 N 4.52 -5.89 -2.61 3.32 3.02 0.12 -2.01 115.26 115.72 1lxk n ASN 712 Ca -0.20 -0.50 -0.21 0.00 -0.03 0.00 0.00 54.58 53.64 1lxk n ASN 712 Cb 0.51 -4.69 0.01 0.00 -0.61 0.00 0.00 39.78 34.99 1lxk n ASN 712 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1lxk n ASP 713 N -2.80 -6.03 -3.85 6.41 4.64 -1.26 -5.00 116.55 108.66 1lxk n ASP 713 Ca -0.02 -0.11 -0.25 0.00 -1.38 0.00 0.00 54.79 53.03 1lxk n ASP 713 Cb 0.57 -4.97 -0.17 0.00 -1.04 0.00 0.00 41.12 35.51 1lxk n ASP 713 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1lxk s LYS 714 N -5.27 1.13 -0.05 -0.67 3.01 -0.85 -5.06 119.74 111.99 1lxk s LYS 714 Ca 0.10 -0.10 -0.39 0.00 -1.01 0.00 0.00 55.97 54.58 1lxk s LYS 714 Cb -0.05 -1.32 -0.17 0.00 -1.01 0.00 0.00 37.83 35.28 1lxk s LYS 714 CO 0.13 -0.28 1.40 -1.91 0.51 0.00 0.00 175.35 175.20 1lxk n GLU 715 N 5.01 0.90 -4.57 1.68 2.13 -1.26 -1.85 120.64 122.68 1lxk n GLU 715 Ca -0.10 0.33 -0.31 0.00 0.66 0.00 0.00 57.16 57.73 1lxk n GLU 715 Cb 0.50 -1.95 -0.12 0.00 0.27 0.00 0.00 31.44 30.14 1lxk n GLU 715 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lxk s ALA 716 N 1.25 2.69 -0.37 4.31 0.00 0.15 -4.86 121.76 124.94 1lxk s ALA 716 Ca 0.90 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 1lxk s ALA 716 Cb -1.06 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 21.30 1lxk s ALA 716 CO 0.55 0.59 0.17 -1.12 0.00 0.00 0.00 175.76 175.94 1lxk s SER 717 N -1.53 5.49 0.38 0.00 0.01 -1.26 -4.42 113.70 112.38 1lxk s SER 717 Ca 0.16 -1.21 -0.14 0.00 1.31 0.00 0.00 55.95 56.07 1lxk s SER 717 Cb -0.11 -1.93 -0.08 0.00 0.21 0.00 0.00 66.02 64.11 1lxk s SER 717 CO 0.07 -0.40 0.79 -0.76 0.41 0.00 0.00 173.24 173.35 1lxk s LEU 718 N 1.44 3.91 0.25 2.44 1.43 -1.26 -5.07 118.68 121.82 1lxk s LEU 718 Ca 0.01 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1lxk s LEU 718 Cb -0.20 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1lxk s LEU 718 CO 0.03 -0.33 0.12 0.42 0.23 0.00 0.00 176.35 176.82 1lxk s THR 719 N -2.22 0.32 0.49 5.49 -4.23 -1.26 -4.77 115.64 109.46 1lxk s THR 719 Ca 0.54 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.26 1lxk s THR 719 Cb -0.10 -2.57 0.26 0.00 1.34 0.00 0.00 72.50 71.43 1lxk s THR 719 CO 0.24 0.00 2.10 -0.33 -0.54 0.00 0.00 174.62 176.09 1lxk h GLU 720 N 2.44 0.00 -6.37 3.99 5.08 -1.92 -2.07 114.58 115.73 1lxk h GLU 720 Ca -0.37 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.45 1lxk h GLU 720 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1lxk h GLU 720 CO 0.56 0.09 0.43 -1.14 -1.00 0.00 0.00 179.01 177.95 1lxk s GLN 721 N -4.65 4.52 0.12 2.33 -0.44 -1.26 -4.69 119.66 115.60 1lxk s GLN 721 Ca -0.04 1.42 -0.31 0.00 -2.50 0.00 0.00 55.36 53.93 1lxk s GLN 721 Cb 0.15 -3.48 -0.10 0.00 -1.64 0.00 0.00 33.01 27.94 1lxk s GLN 721 CO 0.63 -0.13 1.80 -1.21 0.50 0.00 0.00 175.29 176.89 1lxk s GLU 722 N 1.29 4.14 -0.08 1.67 2.02 -1.26 -4.75 118.70 121.73 1lxk s GLU 722 Ca 0.51 2.56 -0.02 0.00 0.02 0.00 0.00 54.97 58.05 1lxk s GLU 722 Cb -0.20 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 1lxk s GLU 722 CO 0.25 -0.82 0.00 0.15 0.02 0.00 0.00 175.26 174.86 1lxk s LYS 723 N 2.61 2.98 0.01 1.61 1.02 -0.16 -4.91 119.74 122.90 1lxk s LYS 723 Ca 0.80 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 56.23 1lxk s LYS 723 Cb -0.45 -2.79 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 1lxk s LYS 723 CO 0.36 0.70 0.41 -0.51 -0.92 0.00 0.00 175.35 175.39 1lxk s ASP 724 N -0.88 6.81 -0.47 2.83 1.11 -1.26 -1.16 116.67 123.64 1lxk s ASP 724 Ca 0.13 0.96 0.03 0.00 0.18 0.00 0.00 52.55 53.85 1lxk s ASP 724 Cb -0.11 -2.25 0.15 0.00 1.07 0.00 0.00 42.92 41.78 1lxk s ASP 724 CO 0.02 0.32 0.30 -0.31 1.18 0.00 0.00 175.17 176.68 1lxk s TYR 725 N -1.10 2.01 0.66 4.23 1.51 0.16 -4.98 117.35 119.84 1lxk s TYR 725 Ca 0.24 -2.51 -0.11 0.00 -1.01 0.00 0.00 57.07 53.68 1lxk s TYR 725 Cb -0.17 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1lxk s TYR 725 CO 0.14 -0.75 1.05 -1.25 -1.11 0.00 0.00 175.55 173.63 1lxk s PRO 726 N 0.04 3.28 -1.65 -1.71 0.04 -1.26 -2.55 135.00 131.20 1lxk s PRO 726 Ca 0.22 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1lxk s PRO 726 Cb -0.16 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1lxk s PRO 726 CO -0.06 -0.78 0.00 0.39 0.04 0.00 0.00 177.00 176.58 1lxk n GLU 727 N -2.88 -1.47 -2.67 4.56 4.71 -1.16 -4.94 120.64 116.79 1lxk n GLU 727 Ca 0.06 0.94 -0.42 0.00 -0.01 0.00 0.00 57.16 57.73 1lxk n GLU 727 Cb 0.55 -5.44 -0.03 0.00 -1.01 0.00 0.00 31.44 25.51 1lxk n GLU 727 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1lxk s THR 728 N -2.90 4.76 -0.06 2.62 2.01 -0.30 -4.71 115.64 117.06 1lxk s THR 728 Ca 0.00 2.01 0.17 0.00 0.31 0.00 0.00 61.69 64.18 1lxk s THR 728 Cb 0.00 -4.29 -0.26 0.00 0.01 0.00 0.00 72.50 67.96 1lxk s THR 728 CO 0.00 0.05 0.31 1.67 -0.69 0.00 0.00 174.62 175.96 1lxk n GLN 729 N 4.68 0.73 -3.51 4.92 -0.06 -1.26 -0.48 117.38 122.40 1lxk n GLN 729 Ca 0.08 -0.12 -0.11 0.00 -2.00 0.00 0.00 57.00 54.84 1lxk n GLN 729 Cb 0.49 -1.43 -0.04 0.00 -4.06 0.00 0.00 30.24 25.20 1lxk n GLN 729 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1lxk s SER 730 N -4.35 -0.46 -0.02 1.69 1.04 -1.26 -0.16 113.70 110.19 1lxk s SER 730 Ca -0.07 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1lxk s SER 730 Cb 0.10 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1lxk s SER 730 CO 0.74 -0.60 -0.03 -0.69 0.98 0.00 0.00 173.24 173.64 1lxk s VAL 731 N -2.31 0.32 -0.07 5.02 1.01 -0.28 0.12 120.40 124.21 1lxk s VAL 731 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1lxk s VAL 731 Cb -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1lxk s VAL 731 CO -0.03 0.13 -0.05 0.12 0.00 0.00 0.00 175.10 175.27 1lxk s PHE 732 N 0.38 0.98 -0.37 5.22 5.36 0.12 -0.48 117.98 129.18 1lxk s PHE 732 Ca -0.04 -0.35 -0.14 0.00 -0.96 0.00 0.00 56.93 55.44 1lxk s PHE 732 Cb -0.07 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.74 1lxk s PHE 732 CO -0.01 -0.31 0.27 -0.51 -1.46 0.00 0.00 175.22 173.21 1lxk s LEU 733 N 1.32 4.81 -0.22 6.12 1.43 0.15 -0.84 118.68 131.45 1lxk s LEU 733 Ca -0.04 -0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 52.31 1lxk s LEU 733 Cb -0.14 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1lxk s LEU 733 CO -0.03 -0.34 0.09 -0.70 0.23 0.00 0.00 176.35 175.60 1lxk s GLU 734 N 1.70 3.89 0.41 1.70 2.12 -0.33 -2.42 118.70 125.76 1lxk s GLU 734 Ca 0.05 -0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.08 1lxk s GLU 734 Cb -0.18 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 1lxk s GLU 734 CO 0.10 0.07 0.11 0.45 -0.54 0.00 0.00 175.26 175.45 1lxk s SER 735 N 0.95 4.19 0.05 -1.70 0.15 -1.26 -0.07 113.70 116.00 1lxk s SER 735 Ca 0.05 -1.20 0.26 0.00 0.70 0.00 0.00 55.95 55.76 1lxk s SER 735 Cb -0.14 -0.45 1.05 0.00 -1.71 0.00 0.00 66.02 64.78 1lxk s SER 735 CO 0.03 -0.50 1.82 -1.54 1.20 0.00 0.00 173.24 174.25 1lxk n SER 736 N -1.12 0.17 -4.20 5.45 3.41 -1.26 -4.49 113.62 111.57 1lxk n SER 736 Ca -0.03 0.52 -0.35 0.00 -0.26 0.00 0.00 58.87 58.75 1lxk n SER 736 Cb 0.65 -0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1lxk n SER 736 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lxk s ASP 737 N -3.31 4.79 0.44 4.04 -1.08 -1.26 -4.99 116.67 115.30 1lxk s ASP 737 Ca 0.12 -1.12 0.23 0.00 -0.52 0.00 0.00 52.55 51.26 1lxk s ASP 737 Cb 0.16 -1.72 1.22 0.00 -1.46 0.00 0.00 42.92 41.11 1lxk s ASP 737 CO 0.49 -0.23 1.82 0.28 0.52 0.00 0.00 175.17 178.05 1lxk h SER 738 N 8.03 0.31 0.00 -0.34 0.02 -1.94 0.44 113.55 120.07 1lxk h SER 738 Ca -0.25 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1lxk h SER 738 Cb 1.08 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1lxk h SER 738 CO 0.55 0.08 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 1lxk n LYS 739 N -4.48 0.43 0.00 3.45 4.76 -1.26 -1.72 118.16 119.34 1lxk n LYS 739 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1lxk n LYS 739 Cb 0.89 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 1lxk n LYS 739 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1lxk n LYS 740 N -0.80 0.89 -2.25 1.97 5.02 0.14 -0.28 118.16 122.86 1lxk n LYS 740 Ca 0.06 -0.33 -0.40 0.00 -2.02 0.00 0.00 58.31 55.63 1lxk n LYS 740 Cb 0.03 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1lxk n LYS 740 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1lxk s ASN 741 N -0.22 6.81 -0.07 4.39 0.01 -0.70 -4.79 114.94 120.36 1lxk s ASN 741 Ca 0.00 2.50 -0.01 0.00 -0.71 0.00 0.00 52.86 54.64 1lxk s ASN 741 Cb 0.00 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.05 1lxk s ASN 741 CO 0.00 -0.49 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.47 1lxk s ILE 742 N -1.22 0.44 -0.00 0.60 1.01 -1.02 -1.21 121.20 119.80 1lxk s ILE 742 Ca 0.50 0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.31 1lxk s ILE 742 Cb -0.35 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1lxk s ILE 742 CO 0.46 0.27 -0.25 -0.83 0.00 0.00 0.00 174.94 174.59 1lxk s GLY 743 N 1.89 1.34 -0.14 6.18 0.00 -0.07 -0.67 107.32 115.84 1lxk s GLY 743 Ca 0.04 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.61 1lxk s GLY 743 CO -0.05 -0.99 -0.15 -0.19 0.00 0.00 0.00 173.10 171.71 1lxk s TYR 744 N -0.69 2.21 -0.22 1.90 1.51 0.37 -0.02 117.35 122.42 1lxk s TYR 744 Ca 0.11 -1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 54.92 1lxk s TYR 744 Cb -0.10 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1lxk s TYR 744 CO 0.00 -0.64 -0.02 0.12 -1.11 0.00 0.00 175.55 173.90 1lxk s PHE 745 N 1.33 2.99 -0.40 2.71 5.36 -0.40 -1.13 117.98 128.45 1lxk s PHE 745 Ca 0.02 -0.76 -0.21 0.00 -0.96 0.00 0.00 56.93 55.02 1lxk s PHE 745 Cb -0.13 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1lxk s PHE 745 CO -0.09 -0.45 0.66 -0.06 -1.46 0.00 0.00 175.22 173.82 1lxk s PHE 746 N 1.38 3.10 0.33 10.12 0.40 0.78 0.17 117.98 134.25 1lxk s PHE 746 Ca 0.05 0.17 0.11 0.00 -0.60 0.00 0.00 56.93 56.66 1lxk s PHE 746 Cb -0.14 -3.29 0.97 0.00 0.51 0.00 0.00 43.02 41.07 1lxk s PHE 746 CO -0.01 -0.77 1.68 0.74 0.70 0.00 0.00 175.22 177.57 1lxk h PHE 747 N 8.69 0.89 -3.72 0.36 0.04 -1.79 -3.36 116.94 118.04 1lxk h PHE 747 Ca -0.26 0.04 -0.57 0.00 2.80 0.00 0.00 57.97 59.98 1lxk h PHE 747 Cb 1.10 -0.23 -0.32 0.00 2.20 0.00 0.00 35.95 38.70 1lxk h PHE 747 CO 0.75 -0.10 -0.84 0.15 -0.60 0.00 0.00 178.31 177.67 1lxk s LYS 748 N -5.73 1.94 0.07 1.51 3.01 -1.26 -5.05 119.74 114.22 1lxk s LYS 748 Ca -0.10 -0.60 -0.37 0.00 -1.01 0.00 0.00 55.97 53.88 1lxk s LYS 748 Cb 0.29 -1.62 -0.18 0.00 -1.01 0.00 0.00 37.83 35.31 1lxk s LYS 748 CO 0.79 0.19 1.15 1.63 0.51 0.00 0.00 175.35 179.61 1lxk n LYS 749 N 3.35 0.59 -4.34 1.68 5.02 -1.26 -4.91 118.16 118.29 1lxk n LYS 749 Ca -0.19 0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 1lxk n LYS 749 Cb 0.53 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.70 1lxk n LYS 749 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1lxk s SER 750 N 0.11 2.36 -0.49 4.39 0.01 0.37 -4.78 113.70 115.68 1lxk s SER 750 Ca 0.84 -1.08 -0.16 0.00 1.31 0.00 0.00 55.95 56.86 1lxk s SER 750 Cb -1.07 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 65.14 1lxk s SER 750 CO 0.52 -0.28 0.45 -0.55 0.41 0.00 0.00 173.24 173.79 1lxk s SER 751 N -3.31 6.16 0.37 2.44 0.15 -1.26 -1.15 113.70 117.11 1lxk s SER 751 Ca 0.24 -1.31 0.08 0.00 0.70 0.00 0.00 55.95 55.65 1lxk s SER 751 Cb 0.02 -2.21 -0.07 0.00 -1.71 0.00 0.00 66.02 62.05 1lxk s SER 751 CO 0.07 -0.71 -0.03 0.27 1.20 0.00 0.00 173.24 174.04 1lxk s ILE 752 N 1.81 2.00 0.01 6.45 -4.36 -1.06 -4.24 121.20 121.82 1lxk s ILE 752 Ca 0.06 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 1lxk s ILE 752 Cb -0.24 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.63 1lxk s ILE 752 CO 0.07 -0.09 -0.05 -0.94 0.24 0.00 0.00 174.94 174.17 1lxk s SER 753 N -3.64 0.59 0.13 4.36 1.04 -0.22 0.36 113.70 116.31 1lxk s SER 753 Ca 0.34 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.64 1lxk s SER 753 Cb 0.07 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1lxk s SER 753 CO 0.17 0.00 -0.11 -0.04 0.98 0.00 0.00 173.24 174.24 1lxk s MET 754 N -0.41 1.01 0.02 4.02 -1.94 -0.31 -1.64 119.30 120.06 1lxk s MET 754 Ca -0.01 -1.36 -0.28 0.00 -1.71 0.00 0.00 55.69 52.33 1lxk s MET 754 Cb -0.03 -0.65 0.08 0.00 2.01 0.00 0.00 34.83 36.24 1lxk s MET 754 CO -0.00 0.09 0.71 -1.54 -0.01 0.00 0.00 175.02 174.27 1lxk s SER 755 N -2.92 -0.56 -0.22 3.03 1.04 -0.67 -0.98 113.70 112.42 1lxk s SER 755 Ca 0.13 0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.89 1lxk s SER 755 Cb 0.00 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1lxk s SER 755 CO 0.01 -0.71 0.02 -0.75 0.98 0.00 0.00 173.24 172.79 1lxk s LYS 756 N -2.31 0.88 0.03 4.02 2.20 -0.78 -0.06 119.74 123.71 1lxk s LYS 756 Ca -0.04 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1lxk s LYS 756 Cb -0.01 -2.21 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1lxk s LYS 756 CO -0.01 -0.67 -0.04 0.00 -0.36 0.00 0.00 175.35 174.27 1lxk s ALA 757 N 1.73 0.22 -0.20 3.13 0.00 -0.47 -2.89 121.76 123.29 1lxk s ALA 757 Ca -0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1lxk s ALA 757 Cb -0.18 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1lxk s ALA 757 CO -0.09 -0.17 1.09 -1.17 0.00 0.00 0.00 175.76 175.41 1lxk s LEU 758 N -1.66 4.14 -0.18 0.00 2.96 -1.26 -1.88 118.68 120.80 1lxk s LEU 758 Ca -0.12 1.48 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1lxk s LEU 758 Cb -0.08 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 1lxk s LEU 758 CO -0.02 -0.66 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.20 1lxk s GLN 759 N 3.10 3.51 0.14 1.98 -0.21 0.41 -4.96 119.66 123.63 1lxk s GLN 759 Ca 0.47 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 55.32 1lxk s GLN 759 Cb -0.17 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 1lxk s GLN 759 CO 0.10 0.05 0.04 0.15 -2.12 0.00 0.00 175.29 173.50 1lxk s LYS 760 N 0.85 2.59 0.00 2.91 1.02 -1.26 -1.68 119.74 124.17 1lxk s LYS 760 Ca -0.01 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1lxk s LYS 760 Cb -0.15 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1lxk s LYS 760 CO 0.01 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 1lxk n GLY 761 N 0.08 -0.98 3.12 -3.33 0.00 0.05 -4.87 105.19 99.27 1lxk n GLY 761 Ca -0.10 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1lxk n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxk s ALA 762 N -2.00 0.82 0.44 4.61 0.00 -1.25 0.73 121.76 125.12 1lxk s ALA 762 Ca 0.00 -1.07 0.18 0.00 0.00 0.00 0.00 51.96 51.07 1lxk s ALA 762 Cb 0.00 0.09 1.13 0.00 0.00 0.00 0.00 23.12 24.34 1lxk s ALA 762 CO 0.00 -0.11 2.01 -1.49 0.00 0.00 0.00 175.76 176.18 1lxk h TRP 763 N 3.73 0.00 0.00 0.00 4.06 -1.74 -2.09 115.95 119.91 1lxk h TRP 763 Ca -0.36 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.58 1lxk h TRP 763 Cb 1.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1lxk h TRP 763 CO 0.62 0.17 -0.07 -0.22 -3.56 0.00 0.00 178.44 175.38 1lxk h LYS 764 N 0.00 0.00 -0.85 0.49 3.64 -1.30 0.13 116.57 118.68 1lxk h LYS 764 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1lxk h LYS 764 Cb 0.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1lxk h LYS 764 CO 0.02 0.07 0.53 -0.44 -2.27 0.00 0.00 179.45 177.35 1lxk h ASP 765 N 0.00 1.01 -0.00 4.20 3.45 -1.67 -2.90 116.42 120.51 1lxk h ASP 765 Ca -0.00 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1lxk h ASP 765 Cb 0.12 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1lxk h ASP 765 CO 0.01 0.76 -0.86 2.30 -1.57 0.00 0.00 179.24 179.88 1lxk n ILE 766 N -4.38 0.00 -3.33 0.35 -5.35 -0.82 -4.73 119.36 101.10 1lxk n ILE 766 Ca 0.09 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.40 1lxk n ILE 766 Cb 0.05 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.91 1lxk n ILE 766 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1lxk s ASN 767 N -2.77 0.55 0.32 7.28 3.84 0.39 -0.03 114.94 124.52 1lxk s ASN 767 Ca 0.08 -0.28 0.08 0.00 0.21 0.00 0.00 52.86 52.95 1lxk s ASN 767 Cb 0.15 1.01 0.90 0.00 -0.55 0.00 0.00 41.25 42.76 1lxk s ASN 767 CO 0.77 -0.35 1.63 -0.08 -2.79 0.00 0.00 177.10 176.29 1lxk h GLU 768 N 8.18 0.19 -0.03 0.43 4.57 -1.34 0.68 114.58 127.26 1lxk h GLU 768 Ca -0.12 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1lxk h GLU 768 Cb 1.12 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1lxk h GLU 768 CO 0.28 0.12 0.00 0.41 -1.18 0.00 0.00 179.01 178.64 1lxk n GLY 769 N -1.35 -0.85 4.01 1.92 0.00 -1.26 -4.86 105.19 102.79 1lxk n GLY 769 Ca 0.26 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1lxk n GLY 769 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lxk s GLN 770 N -1.96 2.67 0.41 1.61 -1.52 0.23 -5.06 119.66 116.05 1lxk s GLN 770 Ca 0.06 -1.27 -0.26 0.00 -1.95 0.00 0.00 55.36 51.95 1lxk s GLN 770 Cb 0.03 -2.70 -0.08 0.00 -0.22 0.00 0.00 33.01 30.04 1lxk s GLN 770 CO 0.05 -0.46 1.27 0.45 -0.25 0.00 0.00 175.29 176.35 1lxk s SER 771 N -4.43 6.30 0.00 5.90 0.15 -1.26 -4.20 113.70 116.16 1lxk s SER 771 Ca 0.57 2.59 0.16 0.00 0.70 0.00 0.00 55.95 59.97 1lxk s SER 771 Cb -0.09 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 62.08 1lxk s SER 771 CO 0.35 -0.85 1.39 -0.90 1.20 0.00 0.00 173.24 174.43 1lxk n ASP 772 N 0.05 2.19 -4.71 5.45 5.75 -1.26 -1.36 116.55 122.65 1lxk n ASP 772 Ca 0.04 -1.91 -0.43 0.00 -0.01 0.00 0.00 54.79 52.48 1lxk n ASP 772 Cb 0.44 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1lxk n ASP 772 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1lxk n LYS 773 N 0.68 2.65 -2.14 0.11 4.81 -1.26 -4.82 118.16 118.18 1lxk n LYS 773 Ca 0.15 0.95 -0.41 0.00 -0.87 0.00 0.00 58.31 58.14 1lxk n LYS 773 Cb 0.37 -2.78 -0.02 0.00 0.02 0.00 0.00 35.03 32.61 1lxk n LYS 773 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1lxk s GLU 774 N 1.02 4.37 0.10 1.64 2.12 -1.26 -4.38 118.70 122.31 1lxk s GLU 774 Ca 0.75 2.17 0.05 0.00 0.36 0.00 0.00 54.97 58.30 1lxk s GLU 774 Cb -0.54 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1lxk s GLU 774 CO 0.34 -0.22 -0.13 0.08 -0.54 0.00 0.00 175.26 174.79 1lxk s VAL 775 N -0.61 1.17 -0.03 3.70 1.01 0.22 -4.98 120.40 120.89 1lxk s VAL 775 Ca 0.53 -1.59 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1lxk s VAL 775 Cb -0.39 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1lxk s VAL 775 CO 0.47 -0.41 0.35 -1.83 0.00 0.00 0.00 175.10 173.68 1lxk s GLU 776 N -2.47 0.69 0.03 2.72 -1.05 -1.26 -0.77 118.70 116.60 1lxk s GLU 776 Ca 0.05 -0.09 -0.13 0.00 -0.15 0.00 0.00 54.97 54.64 1lxk s GLU 776 Cb -0.06 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.96 1lxk s GLU 776 CO 0.02 -0.19 0.29 -0.80 0.95 0.00 0.00 175.26 175.53 1lxk s ASN 777 N -1.20 -0.12 -0.13 0.83 0.01 -0.68 -4.98 114.94 108.66 1lxk s ASN 777 Ca -0.12 -0.16 -0.14 0.00 -0.71 0.00 0.00 52.86 51.73 1lxk s ASN 777 Cb -0.04 0.34 -0.05 0.00 0.41 0.00 0.00 41.25 41.91 1lxk s ASN 777 CO 0.05 -0.58 0.32 -0.70 -1.51 0.00 0.00 177.10 174.68 1lxk s GLU 778 N -2.32 4.19 0.06 -0.60 2.56 -1.26 -0.44 118.70 120.88 1lxk s GLU 778 Ca -0.07 0.17 0.07 0.00 0.00 0.00 0.00 54.97 55.14 1lxk s GLU 778 Cb -0.02 -3.39 -0.03 0.00 2.00 0.00 0.00 34.13 32.69 1lxk s GLU 778 CO -0.02 0.30 -0.18 -0.06 -0.56 0.00 0.00 175.26 174.74 1lxk s PHE 779 N 0.25 1.60 -0.26 5.30 0.40 -0.79 0.24 117.98 124.73 1lxk s PHE 779 Ca 0.19 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1lxk s PHE 779 Cb -0.14 -0.93 -0.00 0.00 0.51 0.00 0.00 43.02 42.46 1lxk s PHE 779 CO 0.06 0.10 0.03 -1.17 0.70 0.00 0.00 175.22 174.93 1lxk s LEU 780 N -1.37 3.39 -0.14 -0.37 0.20 -0.09 -1.36 118.68 118.95 1lxk s LEU 780 Ca 0.05 -0.51 -0.03 0.00 0.69 0.00 0.00 54.13 54.33 1lxk s LEU 780 Cb -0.09 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1lxk s LEU 780 CO 0.02 -0.10 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.06 1lxk s THR 781 N 1.50 3.96 -0.10 3.68 2.01 0.91 -1.36 115.64 126.24 1lxk s THR 781 Ca 0.04 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1lxk s THR 781 Cb -0.16 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1lxk s THR 781 CO 0.00 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 1lxk s ILE 782 N 0.09 1.41 0.14 1.82 1.01 0.46 -1.66 121.20 124.47 1lxk s ILE 782 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1lxk s ILE 782 Cb -0.13 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1lxk s ILE 782 CO 0.03 0.42 0.19 -0.94 0.00 0.00 0.00 174.94 174.64 1lxk s SER 783 N 1.02 0.15 -0.13 3.58 1.04 -0.65 0.01 113.70 118.71 1lxk s SER 783 Ca -0.06 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 1lxk s SER 783 Cb -0.15 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.39 1lxk s SER 783 CO -0.02 -0.81 0.00 -1.58 0.98 0.00 0.00 173.24 171.81 1lxk s GLN 784 N -3.98 0.80 0.53 4.02 0.74 -0.39 -1.06 119.66 120.32 1lxk s GLN 784 Ca 0.18 -0.20 -0.19 0.00 0.05 0.00 0.00 55.36 55.20 1lxk s GLN 784 Cb 0.05 -1.59 -0.06 0.00 1.10 0.00 0.00 33.01 32.50 1lxk s GLN 784 CO -0.01 -0.45 1.05 0.00 -0.55 0.00 0.00 175.29 175.34 1lxk s ALA 785 N 1.87 2.80 -0.38 1.58 0.00 -1.26 -1.24 121.76 125.13 1lxk s ALA 785 Ca 0.02 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1lxk s ALA 785 Cb -0.14 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 19.83 1lxk s ALA 785 CO -0.07 -0.54 0.13 -1.01 0.00 0.00 0.00 175.76 174.27 1lxk s HIS 786 N -2.13 2.99 -0.88 0.00 0.09 0.16 -4.91 115.29 110.63 1lxk s HIS 786 Ca 0.67 -2.70 0.26 0.00 -0.00 0.00 0.00 55.06 53.28 1lxk s HIS 786 Cb -0.17 -2.52 0.61 0.00 -0.00 0.00 0.00 32.58 30.50 1lxk s HIS 786 CO 0.27 -0.87 1.50 1.63 -0.00 0.00 0.00 174.74 177.27 1lxk n LYS 787 N 4.06 0.10 -4.28 1.40 4.76 -1.26 -4.07 118.16 118.87 1lxk n LYS 787 Ca 0.03 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.36 1lxk n LYS 787 Cb 0.39 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1lxk n LYS 787 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1lxk s GLN 788 N -3.06 1.19 0.32 1.97 -0.21 -1.26 -5.09 119.66 113.53 1lxk s GLN 788 Ca 0.10 -1.58 -0.27 0.00 0.02 0.00 0.00 55.36 53.63 1lxk s GLN 788 Cb 0.16 -0.46 -0.09 0.00 1.00 0.00 0.00 33.01 33.62 1lxk s GLN 788 CO 0.67 -0.09 0.99 -0.80 -2.12 0.00 0.00 175.29 173.95 1lxk s ASN 789 N -3.23 7.25 0.00 5.90 0.01 -1.26 -2.95 114.94 120.66 1lxk s ASN 789 Ca 0.25 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.37 1lxk s ASN 789 Cb 0.05 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1lxk s ASN 789 CO 0.05 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1lxk n GLY 790 N 0.78 0.65 3.66 0.66 0.00 0.28 -4.97 105.19 106.26 1lxk n GLY 790 Ca 0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1lxk n GLY 790 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lxk s ASP 791 N -2.10 2.67 0.30 1.61 1.11 -1.05 -4.50 116.67 114.71 1lxk s ASP 791 Ca 0.00 1.39 -0.18 0.00 0.18 0.00 0.00 52.55 53.94 1lxk s ASP 791 Cb 0.00 -2.07 0.02 0.00 1.07 0.00 0.00 42.92 41.95 1lxk s ASP 791 CO 0.00 -3.13 0.69 -0.94 1.18 0.00 0.00 175.17 172.97 1lxk s SER 792 N -3.27 -0.14 0.04 0.27 1.04 -1.26 -1.48 113.70 108.90 1lxk s SER 792 Ca 0.65 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 56.20 1lxk s SER 792 Cb -0.19 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1lxk s SER 792 CO 0.58 -1.38 0.18 -0.72 0.98 0.00 0.00 173.24 172.88 1lxk s TYR 793 N -3.59 0.08 -0.30 5.02 -0.85 0.26 -4.96 117.35 113.00 1lxk s TYR 793 Ca 0.14 -0.31 -0.10 0.00 -0.52 0.00 0.00 57.07 56.28 1lxk s TYR 793 Cb -0.05 -0.05 0.15 0.00 0.38 0.00 0.00 41.96 42.40 1lxk s TYR 793 CO 0.09 -0.42 0.75 0.20 -1.52 0.00 0.00 175.55 174.65 1lxk s GLY 794 N -2.09 -0.62 0.08 5.49 0.00 -1.25 -0.94 107.32 107.99 1lxk s GLY 794 Ca -0.05 2.46 -0.21 0.00 0.00 0.00 0.00 44.72 46.92 1lxk s GLY 794 CO -0.04 3.22 0.50 -2.52 0.00 0.00 0.00 173.10 174.26 1lxk s TYR 795 N 2.78 -0.39 -0.16 1.90 -0.85 -0.55 -2.64 117.35 117.45 1lxk s TYR 795 Ca 0.00 0.31 -0.04 0.00 -0.52 0.00 0.00 57.07 56.82 1lxk s TYR 795 Cb -0.11 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 1lxk s TYR 795 CO -0.18 -0.68 -0.03 1.41 -1.52 0.00 0.00 175.55 174.54 1lxk s MET 796 N -2.94 3.68 -0.31 -3.49 -2.45 0.13 0.29 119.30 114.21 1lxk s MET 796 Ca -0.03 -0.51 -0.15 0.00 -1.25 0.00 0.00 55.69 53.75 1lxk s MET 796 Cb -0.00 -2.95 -0.02 0.00 1.25 0.00 0.00 34.83 33.11 1lxk s MET 796 CO -0.06 0.22 0.38 -1.17 1.05 0.00 0.00 175.02 175.45 1lxk s LEU 797 N 0.42 4.24 -0.31 4.11 2.96 0.18 -1.27 118.68 129.01 1lxk s LEU 797 Ca -0.03 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1lxk s LEU 797 Cb -0.14 -2.40 0.09 0.00 0.50 0.00 0.00 46.19 44.24 1lxk s LEU 797 CO 0.03 -0.28 0.03 -0.63 -1.32 0.00 0.00 176.35 174.17 1lxk s ILE 798 N 2.08 1.92 0.50 6.68 1.01 0.98 -1.88 121.20 132.50 1lxk s ILE 798 Ca 0.14 -1.95 0.03 0.00 0.00 0.00 0.00 60.65 58.87 1lxk s ILE 798 Cb -0.16 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1lxk s ILE 798 CO 0.11 -0.48 0.71 -2.16 0.00 0.00 0.00 174.94 173.12 1lxk s PRO 799 N 1.12 2.66 -1.30 2.79 0.04 -1.26 -0.90 135.00 138.15 1lxk s PRO 799 Ca 0.06 -0.89 -0.05 0.00 0.04 0.00 0.00 61.00 60.15 1lxk s PRO 799 Cb -0.19 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.81 1lxk s PRO 799 CO -0.10 -0.55 0.37 0.09 0.04 0.00 0.00 177.00 176.84 1lxk n ASN 800 N -2.18 -4.40 -4.22 6.66 4.13 -0.35 -4.97 115.26 109.94 1lxk n ASN 800 Ca 0.07 -0.19 -0.18 0.00 1.68 0.00 0.00 54.58 55.96 1lxk n ASN 800 Cb 0.59 -3.64 -0.12 0.00 -1.54 0.00 0.00 39.78 35.08 1lxk n ASN 800 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1lxk s VAL 801 N -2.91 1.26 0.88 2.41 -7.23 -1.25 -4.70 120.40 108.86 1lxk s VAL 801 Ca 0.25 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1lxk s VAL 801 Cb -0.13 -1.36 0.13 0.00 0.56 0.00 0.00 36.38 35.58 1lxk s VAL 801 CO 0.31 -0.32 1.22 1.51 -0.31 0.00 0.00 175.10 177.51 1lxk s ASP 802 N -2.15 3.89 0.15 4.85 3.84 -1.26 -4.77 116.67 121.22 1lxk s ASP 802 Ca 0.05 0.64 -0.22 0.00 -0.00 0.00 0.00 52.55 53.01 1lxk s ASP 802 Cb -0.07 -1.00 0.03 0.00 -1.38 0.00 0.00 42.92 40.49 1lxk s ASP 802 CO 0.03 -2.28 1.63 -0.09 -0.00 0.00 0.00 175.17 174.46 1lxk h ARG 803 N -1.32 -0.24 -0.59 2.11 2.43 -1.98 0.45 114.38 115.25 1lxk h ARG 803 Ca -0.46 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1lxk h ARG 803 Cb 1.30 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1lxk h ARG 803 CO 0.56 -0.16 0.31 0.00 -1.51 0.00 0.00 179.97 179.18 1lxk h ALA 804 N 0.79 1.45 -0.17 2.80 0.00 -1.99 0.09 119.26 122.23 1lxk h ALA 804 Ca 0.13 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1lxk h ALA 804 Cb 0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lxk h ALA 804 CO -0.38 0.45 -0.62 1.15 0.00 0.00 0.00 179.25 179.85 1lxk h THR 805 N 0.82 1.32 -0.35 0.00 2.02 -1.82 -1.97 112.91 112.94 1lxk h THR 805 Ca 0.21 -1.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 1lxk h THR 805 Cb 0.03 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1lxk h THR 805 CO -0.03 0.59 -0.01 0.15 0.37 0.00 0.00 175.52 176.58 1lxk h PHE 806 N 0.44 0.68 -0.82 3.16 3.57 -0.18 -0.76 116.94 123.02 1lxk h PHE 806 Ca -0.01 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 1lxk h PHE 806 Cb 1.19 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1lxk h PHE 806 CO 0.05 0.74 0.37 -0.91 -2.23 0.00 0.00 178.31 176.33 1lxk h ASN 807 N 0.43 1.10 0.05 0.41 2.35 -0.97 -1.00 115.58 117.94 1lxk h ASN 807 Ca 0.10 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.56 1lxk h ASN 807 Cb 0.47 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1lxk h ASN 807 CO 0.02 0.95 -0.46 -0.61 -1.65 0.00 0.00 177.43 175.68 1lxk h GLN 808 N 1.19 0.49 -0.22 0.81 4.15 -1.26 -3.03 115.11 117.23 1lxk h GLN 808 Ca 0.28 -0.27 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 1lxk h GLN 808 Cb 0.16 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1lxk h GLN 808 CO -0.03 0.85 -0.33 0.52 -1.93 0.00 0.00 178.83 177.91 1lxk h MET 809 N 0.40 0.62 0.00 1.69 2.86 -0.68 -2.95 114.93 116.87 1lxk h MET 809 Ca 0.02 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 1lxk h MET 809 Cb 0.96 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1lxk h MET 809 CO 0.08 0.97 -0.04 -0.84 1.06 0.00 0.00 176.91 178.15 1lxk h ILE 810 N 0.32 0.19 0.01 -1.22 3.07 -1.21 -0.61 117.51 118.06 1lxk h ILE 810 Ca 0.02 -0.39 -0.22 0.00 1.55 0.00 0.00 64.86 65.82 1lxk h ILE 810 Cb 0.91 1.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1lxk h ILE 810 CO 0.08 0.04 -0.94 0.11 -1.05 0.00 0.00 178.15 176.39 1lxk h LYS 811 N 0.00 0.34 -0.03 0.16 6.56 -1.41 -2.84 116.57 119.35 1lxk h LYS 811 Ca -0.00 -0.38 -0.18 0.00 -1.06 0.00 0.00 60.65 59.03 1lxk h LYS 811 Cb 0.31 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1lxk h LYS 811 CO 0.01 1.07 -0.76 0.93 -2.06 0.00 0.00 179.45 178.64 1lxk h GLU 812 N 0.19 0.25 -0.29 3.15 5.08 -1.06 -3.01 114.58 118.90 1lxk h GLU 812 Ca -0.07 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1lxk h GLU 812 Cb 1.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1lxk h GLU 812 CO 0.16 0.90 0.00 1.28 -1.00 0.00 0.00 179.01 180.34 1lxk n LEU 813 N -3.76 1.35 0.04 1.33 4.77 -0.36 -4.20 117.00 116.17 1lxk n LEU 813 Ca -0.03 -0.67 0.03 0.00 -0.03 0.00 0.00 56.01 55.30 1lxk n LEU 813 Cb 0.73 -0.19 0.13 0.00 -2.33 0.00 0.00 43.42 41.76 1lxk n LEU 813 CO 0.47 0.31 0.58 1.21 -1.33 0.00 0.00 177.39 178.63 1lxk n GLU 814 N 0.18 0.03 -0.61 3.23 4.07 -1.08 -1.72 120.64 124.75 1lxk n GLU 814 Ca 0.08 0.50 0.03 0.00 -0.06 0.00 0.00 57.16 57.71 1lxk n GLU 814 Cb 0.23 -1.66 0.05 0.00 -0.06 0.00 0.00 31.44 30.00 1lxk n GLU 814 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1lxk n SER 815 N -1.64 0.84 0.08 4.31 3.41 -1.26 -4.84 113.62 114.51 1lxk n SER 815 Ca -0.00 -2.39 -0.05 0.00 -0.26 0.00 0.00 58.87 56.17 1lxk n SER 815 Cb 0.06 -0.30 0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1lxk n SER 815 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1lxk h SER 816 N 0.28 0.29 -2.70 4.04 4.64 -1.54 -3.43 113.55 115.13 1lxk h SER 816 Ca -0.04 -0.15 -0.57 0.00 -0.47 0.00 0.00 61.79 60.55 1lxk h SER 816 Cb 1.38 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1lxk h SER 816 CO 0.02 0.78 1.19 -0.22 -0.87 0.00 0.00 176.83 177.73 1lxk s LEU 817 N -8.04 3.79 -0.03 5.97 0.20 -1.26 0.12 118.68 119.43 1lxk s LEU 817 Ca -0.04 1.59 0.06 0.00 0.69 0.00 0.00 54.13 56.43 1lxk s LEU 817 Cb 0.12 -3.53 -0.24 0.00 -0.43 0.00 0.00 46.19 42.11 1lxk s LEU 817 CO 0.79 -1.40 0.70 0.40 -0.29 0.00 0.00 176.35 176.56 1lxk h ILE 818 N 6.34 0.93 -1.21 6.68 1.08 -0.35 -3.47 117.51 127.51 1lxk h ILE 818 Ca -0.35 -2.72 0.22 0.00 -0.39 0.00 0.00 64.86 61.63 1lxk h ILE 818 Cb 1.16 2.52 -0.25 0.00 -3.07 0.00 0.00 36.82 37.19 1lxk h ILE 818 CO 1.00 0.65 0.86 -0.70 -0.69 0.00 0.00 178.15 179.28 1lxk s GLU 819 N -2.60 0.19 -0.50 2.37 2.56 -0.68 -4.91 118.70 115.13 1lxk s GLU 819 Ca -0.08 0.01 0.06 0.00 0.00 0.00 0.00 54.97 54.97 1lxk s GLU 819 Cb 0.08 0.09 0.22 0.00 2.00 0.00 0.00 34.13 36.52 1lxk s GLU 819 CO 0.82 -0.07 0.80 -1.71 -0.56 0.00 0.00 175.26 174.55 1lxk n ASN 820 N 0.41 -2.94 -1.03 -1.70 4.05 -1.21 -0.56 115.26 112.28 1lxk n ASN 820 Ca -0.01 -3.12 0.00 0.00 0.45 0.00 0.00 54.58 51.90 1lxk n ASN 820 Cb 0.58 1.66 0.00 0.00 1.23 0.00 0.00 39.78 43.25 1lxk n ASN 820 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1lxk n ASN 821 N 2.15 1.31 0.19 1.20 2.04 0.02 -4.85 115.26 117.32 1lxk n ASN 821 Ca 0.13 -0.62 0.14 0.00 -0.44 0.00 0.00 54.58 53.79 1lxk n ASN 821 Cb 0.60 0.00 0.61 0.00 -2.53 0.00 0.00 39.78 38.45 1lxk n ASN 821 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1lxk h GLU 822 N 0.00 0.00 0.00 -3.83 9.09 -1.98 -3.32 114.58 114.55 1lxk h GLU 822 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1lxk h GLU 822 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1lxk h GLU 822 CO 0.00 0.00 -1.11 0.25 0.05 0.00 0.00 179.01 178.20 1lxk n THR 823 N -2.55 0.09 -4.16 -1.06 -2.24 -1.26 -4.78 114.28 98.32 1lxk n THR 823 Ca 0.01 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 1lxk n THR 823 Cb 0.22 -0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 67.67 1lxk n THR 823 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1lxk s LEU 824 N -3.90 1.72 -0.02 3.22 2.96 -1.25 0.10 118.68 121.50 1lxk s LEU 824 Ca -0.01 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1lxk s LEU 824 Cb 0.01 -0.33 0.03 0.00 0.50 0.00 0.00 46.19 46.39 1lxk s LEU 824 CO 0.07 0.02 0.04 -1.10 -1.32 0.00 0.00 176.35 174.06 1lxk s GLN 825 N 0.30 -0.03 -0.28 1.98 -0.21 -0.61 -0.80 119.66 120.01 1lxk s GLN 825 Ca -0.03 0.21 -0.23 0.00 0.02 0.00 0.00 55.36 55.33 1lxk s GLN 825 Cb -0.07 -0.26 0.11 0.00 1.00 0.00 0.00 33.01 33.79 1lxk s GLN 825 CO -0.00 -0.18 0.93 0.45 -2.12 0.00 0.00 175.29 174.36 1lxk s SER 826 N 1.15 -0.57 0.09 5.90 0.15 0.27 -0.56 113.70 120.14 1lxk s SER 826 Ca -0.08 1.04 0.08 0.00 0.70 0.00 0.00 55.95 57.69 1lxk s SER 826 Cb -0.13 1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 65.25 1lxk s SER 826 CO -0.03 -0.18 -0.21 0.68 1.20 0.00 0.00 173.24 174.70 1lxk s VAL 827 N 0.56 1.70 -0.07 4.45 -7.23 -1.02 0.38 120.40 119.17 1lxk s VAL 827 Ca -0.01 -1.49 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1lxk s VAL 827 Cb -0.05 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 1lxk s VAL 827 CO -0.07 -0.02 -0.22 -0.47 -0.31 0.00 0.00 175.10 174.01 1lxk s TYR 828 N -1.10 2.29 -0.66 2.82 5.04 0.32 -1.89 117.35 124.17 1lxk s TYR 828 Ca 0.06 -0.79 -0.15 0.00 -2.44 0.00 0.00 57.07 53.75 1lxk s TYR 828 Cb -0.10 -1.53 0.17 0.00 0.35 0.00 0.00 41.96 40.85 1lxk s TYR 828 CO 0.04 -0.29 0.61 0.34 -1.34 0.00 0.00 175.55 174.91 1lxk s ASP 829 N 0.12 6.42 0.37 4.32 -1.08 -0.10 -4.41 116.67 122.31 1lxk s ASP 829 Ca -0.10 -2.17 0.04 0.00 -0.52 0.00 0.00 52.55 49.80 1lxk s ASP 829 Cb -0.15 -2.21 0.70 0.00 -1.46 0.00 0.00 42.92 39.80 1lxk s ASP 829 CO 0.05 -0.74 2.01 0.00 0.52 0.00 0.00 175.17 177.02 1lxk h ALA 830 N 8.42 1.61 -0.75 3.66 0.00 -1.95 0.34 119.26 130.58 1lxk h ALA 830 Ca -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1lxk h ALA 830 Cb 1.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1lxk h ALA 830 CO 0.92 0.35 0.32 0.87 0.00 0.00 0.00 179.25 181.71 1lxk h LYS 831 N 0.78 1.10 0.00 0.00 1.57 -1.96 -3.14 116.57 114.92 1lxk h LYS 831 Ca 0.23 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1lxk h LYS 831 Cb -0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1lxk h LYS 831 CO -0.05 0.88 -1.55 1.04 -0.57 0.00 0.00 179.45 179.19 1lxk n GLN 832 N -4.30 0.63 -2.55 3.15 6.02 -0.93 -4.97 117.38 114.44 1lxk n GLN 832 Ca 0.07 0.11 -0.05 0.00 -0.01 0.00 0.00 57.00 57.12 1lxk n GLN 832 Cb 0.17 -1.73 0.01 0.00 1.02 0.00 0.00 30.24 29.71 1lxk n GLN 832 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lxk n GLY 833 N 1.38 0.50 3.30 1.08 0.00 0.11 -4.74 105.19 106.82 1lxk n GLY 833 Ca -0.10 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1lxk n GLY 833 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lxk s VAL 834 N -2.83 2.16 0.01 1.61 1.01 -1.02 -0.05 120.40 121.29 1lxk s VAL 834 Ca 0.09 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1lxk s VAL 834 Cb -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1lxk s VAL 834 CO 0.11 0.57 -0.17 0.26 0.00 0.00 0.00 175.10 175.87 1lxk s TRP 835 N -0.29 2.59 -0.16 5.22 0.51 0.18 -0.93 118.94 126.06 1lxk s TRP 835 Ca 0.00 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.75 1lxk s TRP 835 Cb -0.13 -1.52 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 1lxk s TRP 835 CO 0.02 0.21 -0.17 0.20 -0.51 0.00 0.00 176.95 176.71 1lxk s GLY 836 N -1.17 1.44 -0.00 0.98 0.00 -0.79 -1.22 107.32 106.56 1lxk s GLY 836 Ca 0.13 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1lxk s GLY 836 CO 0.03 0.08 -0.05 -0.42 0.00 0.00 0.00 173.10 172.74 1lxk s ILE 837 N 0.93 0.40 -0.09 0.90 1.01 0.02 -2.42 121.20 121.94 1lxk s ILE 837 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1lxk s ILE 837 Cb -0.15 -0.35 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1lxk s ILE 837 CO -0.03 0.08 -0.04 -0.69 0.00 0.00 0.00 174.94 174.26 1lxk s VAL 838 N -0.20 0.69 -0.18 2.92 1.01 0.28 0.36 120.40 125.27 1lxk s VAL 838 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1lxk s VAL 838 Cb -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1lxk s VAL 838 CO -0.00 0.31 -0.06 -0.54 0.00 0.00 0.00 175.10 174.80 1lxk s LYS 839 N 1.85 3.44 0.00 2.72 1.02 -0.10 -1.57 119.74 127.10 1lxk s LYS 839 Ca 0.05 -0.62 0.25 0.00 0.02 0.00 0.00 55.97 55.67 1lxk s LYS 839 Cb -0.12 -2.90 0.46 0.00 -0.52 0.00 0.00 37.83 34.75 1lxk s LYS 839 CO -0.07 -0.01 1.38 0.66 -0.92 0.00 0.00 175.35 176.40 1lxk n TYR 840 N 4.22 0.00 -4.27 3.18 4.02 0.12 -0.47 117.16 123.97 1lxk n TYR 840 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.56 1lxk n TYR 840 Cb 0.52 -0.22 -0.10 0.00 -0.02 0.00 0.00 39.34 39.52 1lxk n TYR 840 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1lxk s ASP 841 N -2.96 0.88 -0.17 7.72 1.47 -1.26 -4.90 116.67 117.45 1lxk s ASP 841 Ca 0.12 -1.48 0.06 0.00 1.18 0.00 0.00 52.55 52.43 1lxk s ASP 841 Cb 0.17 0.36 0.41 0.00 -0.34 0.00 0.00 42.92 43.52 1lxk s ASP 841 CO 0.70 -0.86 1.28 0.47 0.68 0.00 0.00 175.17 177.44 1lxk n ASP 842 N -0.63 3.48 -4.77 2.11 8.00 -1.26 -3.47 116.55 120.01 1lxk n ASP 842 Ca 0.02 -2.62 -0.30 0.00 0.71 0.00 0.00 54.79 52.60 1lxk n ASP 842 Cb 0.65 -0.63 0.10 0.00 -0.02 0.00 0.00 41.12 41.23 1lxk n ASP 842 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1lxk s SER 843 N -0.34 4.23 -0.34 -2.24 1.04 -1.26 -4.75 113.70 110.04 1lxk s SER 843 Ca 0.29 1.48 -0.23 0.00 0.48 0.00 0.00 55.95 57.97 1lxk s SER 843 Cb 0.23 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 64.15 1lxk s SER 843 CO 0.08 -2.16 0.79 -0.69 0.98 0.00 0.00 173.24 172.24 1lxk s VAL 844 N -3.03 4.75 -0.21 5.02 1.01 -1.26 -4.58 120.40 122.10 1lxk s VAL 844 Ca 0.61 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 1lxk s VAL 844 Cb -0.16 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1lxk s VAL 844 CO 0.56 -0.35 0.05 -0.44 0.00 0.00 0.00 175.10 174.91 1lxk s SER 845 N 1.74 5.26 -0.32 3.32 0.01 -0.55 -4.98 113.70 118.17 1lxk s SER 845 Ca 0.32 -0.09 -0.15 0.00 1.31 0.00 0.00 55.95 57.33 1lxk s SER 845 Cb -0.14 -1.92 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 1lxk s SER 845 CO 0.15 0.07 0.38 -0.89 0.41 0.00 0.00 173.24 173.36 1lxk s THR 846 N 0.99 5.15 -0.17 1.44 2.01 -1.26 -1.14 115.64 122.66 1lxk s THR 846 Ca 0.03 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.19 1lxk s THR 846 Cb -0.14 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1lxk s THR 846 CO 0.03 -0.03 0.13 -0.63 -0.69 0.00 0.00 174.62 173.43 1lxk s ILE 847 N 2.08 5.41 -0.04 1.82 -1.09 -0.03 -4.51 121.20 124.84 1lxk s ILE 847 Ca 0.14 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 1lxk s ILE 847 Cb -0.16 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1lxk s ILE 847 CO 0.11 0.50 0.00 -1.20 -1.23 0.00 0.00 174.94 173.13 1lxk n SER 848 N 2.99 -0.85 -3.68 3.58 7.64 -1.26 -0.66 113.62 121.38 1lxk n SER 848 Ca -0.17 0.36 -0.27 0.00 1.01 0.00 0.00 58.87 59.80 1lxk n SER 848 Cb 0.53 -0.96 0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1lxk n SER 848 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1lxk n ASN 849 N -0.87 -5.25 0.00 6.43 4.05 -1.26 -4.82 115.26 113.54 1lxk n ASN 849 Ca -0.01 -0.62 0.00 0.00 0.45 0.00 0.00 54.58 54.40 1lxk n ASN 849 Cb 0.38 -4.19 0.00 0.00 1.23 0.00 0.00 39.78 37.20 1lxk n ASN 849 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1lxk n GLN 850 N -4.59 0.82 -4.02 1.20 6.02 0.16 -5.13 117.38 111.84 1lxk n GLN 850 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1lxk n GLN 850 Cb 0.55 -0.69 -0.02 0.00 1.02 0.00 0.00 30.24 31.09 1lxk n GLN 850 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1lxk s PHE 851 N -1.38 0.83 -0.03 1.08 -0.12 -1.16 -4.83 117.98 112.38 1lxk s PHE 851 Ca 0.00 -1.17 0.02 0.00 -0.05 0.00 0.00 56.93 55.73 1lxk s PHE 851 Cb 0.00 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 1lxk s PHE 851 CO 0.00 -1.26 -0.09 -0.65 -0.05 0.00 0.00 175.22 173.17 1lxk s GLN 852 N -2.83 1.05 -0.10 1.99 -0.21 0.14 -0.85 119.66 118.84 1lxk s GLN 852 Ca 0.27 -0.32 -0.02 0.00 0.02 0.00 0.00 55.36 55.31 1lxk s GLN 852 Cb -0.02 -0.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.99 1lxk s GLN 852 CO 0.18 0.10 -0.04 0.14 -2.12 0.00 0.00 175.29 173.56 1lxk s VAL 853 N 0.27 3.95 0.00 1.09 -7.23 -0.29 0.08 120.40 118.26 1lxk s VAL 853 Ca -0.05 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1lxk s VAL 853 Cb -0.10 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1lxk s VAL 853 CO 0.01 0.56 0.00 0.18 -0.31 0.00 0.00 175.10 175.54 1lxk n LEU 854 N 2.65 0.00 -4.56 1.32 4.77 0.15 -1.49 117.00 119.84 1lxk n LEU 854 Ca -0.18 -0.44 -0.30 0.00 -0.03 0.00 0.00 56.01 55.06 1lxk n LEU 854 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1lxk n LEU 854 CO 0.29 0.00 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.38 1lxk s LYS 855 N -0.97 2.14 0.34 3.23 1.02 -1.26 -4.40 119.74 119.85 1lxk s LYS 855 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 1lxk s LYS 855 Cb 0.00 -2.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 1lxk s LYS 855 CO 0.00 0.52 1.36 0.50 -0.92 0.00 0.00 175.35 176.81 1lxk s ARG 856 N -2.04 4.28 0.00 1.68 3.52 -1.23 -4.70 118.95 120.46 1lxk s ARG 856 Ca 0.20 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1lxk s ARG 856 Cb -0.11 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1lxk s ARG 856 CO 0.12 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1lxk n GLY 857 N 0.70 0.53 3.45 8.12 0.00 0.38 -4.83 105.19 113.55 1lxk n GLY 857 Ca 0.00 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1lxk n GLY 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lxk s VAL 858 N -2.44 3.34 0.07 1.61 1.01 -0.26 -0.92 120.40 122.80 1lxk s VAL 858 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1lxk s VAL 858 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1lxk s VAL 858 CO 0.00 0.54 -0.18 -0.31 0.00 0.00 0.00 175.10 175.14 1lxk s TYR 859 N 0.02 1.60 -0.15 5.22 1.51 0.16 -0.73 117.35 124.97 1lxk s TYR 859 Ca -0.03 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1lxk s TYR 859 Cb -0.14 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.85 1lxk s TYR 859 CO 0.04 0.11 0.09 0.99 -1.11 0.00 0.00 175.55 175.68 1lxk s THR 860 N -1.00 -0.11 0.00 -0.71 2.01 -0.29 -0.80 115.64 114.73 1lxk s THR 860 Ca 0.05 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1lxk s THR 860 Cb -0.09 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1lxk s THR 860 CO 0.03 -0.18 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.91 1lxk s ILE 861 N 2.16 1.84 -0.08 1.82 1.01 -0.36 -1.45 121.20 126.14 1lxk s ILE 861 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1lxk s ILE 861 Cb -0.15 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1lxk s ILE 861 CO -0.08 0.44 -0.18 -0.60 0.00 0.00 0.00 174.94 174.52 1lxk s ARG 862 N -0.75 2.31 -0.23 2.79 3.52 -0.77 0.48 118.95 126.30 1lxk s ARG 862 Ca 0.09 -0.63 -0.16 0.00 -0.13 0.00 0.00 55.73 54.90 1lxk s ARG 862 Cb -0.09 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1lxk s ARG 862 CO 0.00 0.11 0.42 0.21 -0.81 0.00 0.00 175.30 175.23 1lxk s LYS 863 N 0.48 4.12 -0.61 5.12 2.20 0.93 -0.81 119.74 131.18 1lxk s LYS 863 Ca -0.16 0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1lxk s LYS 863 Cb -0.17 -3.59 0.16 0.00 -1.51 0.00 0.00 37.83 32.73 1lxk s LYS 863 CO 0.06 -0.15 0.42 -1.21 -0.36 0.00 0.00 175.35 174.10 1lxk s GLU 864 N 1.68 2.51 5.14 4.03 2.02 0.15 -4.83 118.70 129.39 1lxk s GLU 864 Ca 0.19 -2.48 0.00 0.00 0.02 0.00 0.00 54.97 52.70 1lxk s GLU 864 Cb -0.15 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1lxk s GLU 864 CO 0.09 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.61 1lxk n GLY 865 N 3.56 1.25 0.22 -1.39 0.00 -1.26 0.48 105.19 108.05 1lxk n GLY 865 Ca 0.07 0.46 0.12 0.00 0.00 0.00 0.00 46.02 46.67 1lxk n GLY 865 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lxk n ASP 866 N 10.71 1.11 -4.87 1.61 8.00 -1.26 -4.94 116.55 126.90 1lxk n ASP 866 Ca 0.00 -0.89 -0.21 0.00 0.71 0.00 0.00 54.79 54.40 1lxk n ASP 866 Cb 0.00 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1lxk n ASP 866 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1lxk s GLU 867 N -2.64 2.91 -0.13 -1.24 2.56 0.18 -5.12 118.70 115.22 1lxk s GLU 867 Ca 0.19 -1.13 -0.02 0.00 0.00 0.00 0.00 54.97 54.02 1lxk s GLU 867 Cb 0.18 -2.59 0.04 0.00 2.00 0.00 0.00 34.13 33.76 1lxk s GLU 867 CO 0.60 0.23 0.00 0.71 -0.56 0.00 0.00 175.26 176.24 1lxk s TYR 868 N -2.20 0.94 -0.05 5.30 2.02 -1.26 0.32 117.35 122.42 1lxk s TYR 868 Ca 0.38 -0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 56.30 1lxk s TYR 868 Cb -0.07 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1lxk s TYR 868 CO 0.27 -0.47 0.76 0.15 -1.57 0.00 0.00 175.55 174.69 1lxk s LYS 869 N 1.88 4.47 -0.06 -0.62 3.01 0.01 -4.94 119.74 123.50 1lxk s LYS 869 Ca 0.03 1.00 0.06 0.00 -1.01 0.00 0.00 55.97 56.04 1lxk s LYS 869 Cb -0.14 -3.45 -0.01 0.00 -1.01 0.00 0.00 37.83 33.22 1lxk s LYS 869 CO -0.07 0.04 -0.23 0.42 0.51 0.00 0.00 175.35 176.02 1lxk s ILE 870 N 0.83 2.23 -0.32 2.17 1.01 -1.26 -1.85 121.20 124.01 1lxk s ILE 870 Ca 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1lxk s ILE 870 Cb -0.18 -1.82 0.10 0.00 0.01 0.00 0.00 42.46 40.57 1lxk s ILE 870 CO 0.20 0.57 0.09 0.00 0.00 0.00 0.00 174.94 175.81 1lxk s ALA 871 N -0.26 1.87 -0.05 9.38 0.00 -0.53 -5.02 121.76 127.14 1lxk s ALA 871 Ca -0.00 -1.90 0.04 0.00 0.00 0.00 0.00 51.96 50.09 1lxk s ALA 871 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1lxk s ALA 871 CO 0.03 -1.68 -0.15 -0.47 0.00 0.00 0.00 175.76 173.49 1lxk s TYR 872 N 1.41 2.70 -0.02 0.00 5.04 -1.26 -1.14 117.35 124.08 1lxk s TYR 872 Ca 0.10 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1lxk s TYR 872 Cb -0.18 -1.64 0.02 0.00 0.35 0.00 0.00 41.96 40.51 1lxk s TYR 872 CO -0.21 0.15 0.01 -0.47 -1.34 0.00 0.00 175.55 173.69 1lxk s TYR 873 N -0.65 0.14 -0.48 4.97 5.04 0.09 -4.40 117.35 122.06 1lxk s TYR 873 Ca 0.10 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.66 1lxk s TYR 873 Cb -0.11 -0.22 0.11 0.00 0.35 0.00 0.00 41.96 42.09 1lxk s TYR 873 CO 0.01 -0.07 0.36 1.21 -1.34 0.00 0.00 175.55 175.72 1lxk s ASN 874 N 0.64 5.81 0.41 4.32 3.04 0.62 -1.10 114.94 128.69 1lxk s ASN 874 Ca -0.06 -1.78 0.13 0.00 0.04 0.00 0.00 52.86 51.19 1lxk s ASN 874 Cb -0.09 -2.06 0.97 0.00 -1.54 0.00 0.00 41.25 38.54 1lxk s ASN 874 CO -0.02 -0.70 1.95 -0.65 -3.04 0.00 0.00 177.10 174.65 1lxk h PRO 875 N 8.55 0.47 -0.05 0.43 0.11 -1.85 0.24 132.00 139.89 1lxk h PRO 875 Ca -0.24 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1lxk h PRO 875 Cb 1.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1lxk h PRO 875 CO 0.88 0.31 -0.03 0.93 -0.21 0.00 0.00 178.00 179.88 1lxk h GLU 876 N 0.49 0.11 -0.01 1.05 5.08 -1.87 -3.22 114.58 116.21 1lxk h GLU 876 Ca 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1lxk h GLU 876 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1lxk h GLU 876 CO -0.10 0.51 -0.37 0.25 -1.00 0.00 0.00 179.01 178.30 1lxk n THR 877 N -4.80 0.00 -3.60 1.13 -2.24 -1.17 -4.96 114.28 98.65 1lxk n THR 877 Ca -0.07 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1lxk n THR 877 Cb 0.25 0.58 0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1lxk n THR 877 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lxk n GLN 878 N -0.68 -5.69 -3.91 -0.78 6.02 0.80 -4.99 117.38 108.14 1lxk n GLN 878 Ca 0.10 0.72 -0.09 0.00 -0.01 0.00 0.00 57.00 57.72 1lxk n GLN 878 Cb 0.37 -5.48 -0.09 0.00 1.02 0.00 0.00 30.24 26.06 1lxk n GLN 878 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1lxk s GLU 879 N -5.76 0.67 0.00 -1.09 2.02 -1.01 -4.97 118.70 108.57 1lxk s GLU 879 Ca 0.03 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1lxk s GLU 879 Cb -0.02 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1lxk s GLU 879 CO 0.78 -0.18 0.00 0.45 0.02 0.00 0.00 175.26 176.33 1lxk n SER 880 N 0.50 0.00 -3.57 -0.19 2.88 -1.26 -0.28 113.62 111.70 1lxk n SER 880 Ca -0.18 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.29 1lxk n SER 880 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1lxk n SER 880 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lxk s ALA 881 N -3.18 -1.96 0.31 -1.46 0.00 -1.26 -4.78 121.76 109.43 1lxk s ALA 881 Ca 0.00 1.50 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1lxk s ALA 881 Cb 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 23.12 22.57 1lxk s ALA 881 CO 0.00 -0.45 1.42 -2.30 0.00 0.00 0.00 175.76 174.43 1lxk n PRO 882 N 0.31 2.33 -0.29 0.00 -0.02 -1.26 -4.89 135.00 131.18 1lxk n PRO 882 Ca -0.06 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1lxk n PRO 882 Cb 0.59 -2.49 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 1lxk n PRO 882 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1lxk h ASP 883 N 3.52 -0.80 0.20 2.55 3.32 -1.99 0.05 116.42 123.28 1lxk h ASP 883 Ca -0.47 0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1lxk h ASP 883 Cb 1.26 0.52 0.00 0.00 0.22 0.00 0.00 39.33 41.33 1lxk h ASP 883 CO 0.70 -0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1lxk n GLN 884 N -5.53 0.04 0.06 3.56 0.00 -1.26 -0.87 117.38 113.38 1lxk n GLN 884 Ca 0.12 0.45 -0.04 0.00 0.00 0.00 0.00 57.00 57.53 1lxk n GLN 884 Cb 0.42 -1.61 -0.08 0.00 0.00 0.00 0.00 30.24 28.96 1lxk n GLN 884 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1lxk h GLU 885 N 0.00 0.00 0.00 2.61 5.08 -1.33 -3.40 114.58 117.54 1lxk h GLU 885 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lxk h GLU 885 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1lxk h GLU 885 CO 0.00 0.66 0.00 1.33 -1.00 0.00 0.00 179.01 180.00 1lxk n VAL 886 N -3.19 0.00 -4.25 3.13 0.24 -0.76 -4.47 118.33 109.03 1lxk n VAL 886 Ca -0.04 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.34 61.71 1lxk n VAL 886 Cb 0.89 1.06 -0.15 0.00 -1.47 0.00 0.00 33.84 34.17 1lxk n VAL 886 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1lxk s PHE 887 N -0.58 0.68 0.01 6.34 5.36 -0.05 -0.67 117.98 129.06 1lxk s PHE 887 Ca 0.00 -0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1lxk s PHE 887 Cb 0.00 -0.49 -0.01 0.00 -0.34 0.00 0.00 43.02 42.19 1lxk s PHE 887 CO 0.00 -0.06 -0.01 0.21 -1.46 0.00 0.00 175.22 173.90 1lxk s LYS 888 N 0.12 0.12 0.00 10.12 2.36 0.11 -4.38 119.74 128.19 1lxk s LYS 888 Ca -0.01 -0.22 0.00 0.00 -2.55 0.00 0.00 55.97 53.18 1lxk s LYS 888 Cb -0.06 0.04 0.00 0.00 -1.05 0.00 0.00 37.83 36.76 1lxk s LYS 888 CO -0.00 -0.02 0.00 1.17 1.55 0.00 0.00 175.35 178.05