#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqg n LEU 167 N 0.00 0.00 -0.37 0.00 0.00 -1.26 -3.22 117.00 112.16 3kqg n LEU 167 Ca 0.00 0.42 0.34 0.00 0.00 0.00 0.00 56.01 56.78 3kqg n LEU 167 Cb 0.00 -0.42 0.70 0.00 0.00 0.00 0.00 43.42 43.69 3kqg n LEU 167 CO 0.00 -0.15 1.31 0.78 0.00 0.00 0.00 177.39 179.33 3kqg h ASN 168 N 0.00 0.12 -0.95 1.96 -0.26 -2.04 0.79 115.58 115.20 3kqg h ASN 168 Ca 0.00 0.03 0.06 0.00 -0.56 0.00 0.00 56.30 55.83 3kqg h ASN 168 Cb 0.27 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.49 3kqg h ASN 168 CO 0.00 0.00 0.62 0.71 -1.06 0.00 0.00 177.43 177.70 3kqg h THR 169 N 0.09 1.08 0.04 2.81 1.35 -1.98 0.25 112.91 116.56 3kqg h THR 169 Ca 0.63 -0.38 -0.09 0.00 -0.55 0.00 0.00 66.41 66.02 3kqg h THR 169 Cb 2.26 -0.12 0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3kqg h THR 169 CO -0.11 0.20 -0.38 0.50 -0.25 0.00 0.00 175.52 175.49 3kqg h LYS 170 N 1.11 0.18 -0.64 4.72 3.64 -1.12 -2.68 116.57 121.78 3kqg h LYS 170 Ca 0.41 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3kqg h LYS 170 Cb 0.17 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3kqg h LYS 170 CO -0.16 1.05 0.18 0.97 -2.27 0.00 0.00 179.45 179.23 3kqg h ILE 171 N -0.57 1.25 -0.99 2.00 2.10 -1.46 -2.69 117.51 117.15 3kqg h ILE 171 Ca -0.06 -0.88 0.08 0.00 1.08 0.00 0.00 64.86 65.08 3kqg h ILE 171 Cb 1.22 0.61 -0.07 0.00 -1.09 0.00 0.00 36.82 37.49 3kqg h ILE 171 CO 0.07 0.34 0.63 -0.09 -1.08 0.00 0.00 178.15 178.02 3kqg h ARG 172 N 0.92 1.06 -0.49 2.19 2.43 -0.58 -1.05 114.38 118.86 3kqg h ARG 172 Ca 0.20 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3kqg h ARG 172 Cb 0.32 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3kqg h ARG 172 CO -0.00 0.70 0.07 0.00 -1.51 0.00 0.00 179.97 179.23 3kqg h ALA 173 N 1.48 0.65 -0.23 2.80 0.00 -1.16 -1.98 119.26 120.82 3kqg h ALA 173 Ca 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kqg h ALA 173 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kqg h ALA 173 CO -0.21 0.39 0.10 -0.07 0.00 0.00 0.00 179.25 179.47 3kqg h LEU 174 N 0.69 0.30 -0.76 0.00 4.07 -1.17 -1.20 115.31 117.24 3kqg h LEU 174 Ca 0.15 -0.14 0.17 0.00 0.08 0.00 0.00 57.88 58.15 3kqg h LEU 174 Cb 0.40 -0.08 -0.12 0.00 1.08 0.00 0.00 40.66 41.94 3kqg h LEU 174 CO 0.01 0.35 0.12 -0.61 -1.08 0.00 0.00 178.44 177.24 3kqg h GLN 175 N 0.23 0.19 0.27 1.13 4.15 -1.05 -1.86 115.11 118.16 3kqg h GLN 175 Ca 0.08 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3kqg h GLN 175 Cb 0.14 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3kqg h GLN 175 CO -0.01 0.13 -0.13 0.78 -1.93 0.00 0.00 178.83 177.67 3kqg h GLY 176 N 0.20 -0.37 2.00 2.39 0.00 -0.96 -3.12 103.07 103.20 3kqg h GLY 176 Ca 0.43 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3kqg h GLY 176 CO -0.59 -0.14 0.00 -1.14 0.00 0.00 0.00 176.54 174.68 3kqg n SER 177 N -5.06 0.32 0.09 0.19 3.41 -0.49 -0.48 113.62 111.60 3kqg n SER 177 Ca -0.09 0.59 -0.16 0.00 -0.26 0.00 0.00 58.87 58.95 3kqg n SER 177 Cb 0.26 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.46 3kqg n SER 177 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kqg h LEU 178 N 0.00 0.56 -0.95 1.04 5.85 -1.37 -2.66 115.31 117.78 3kqg h LEU 178 Ca 0.00 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3kqg h LEU 178 Cb 0.22 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3kqg h LEU 178 CO 0.00 1.37 0.39 -0.08 -0.34 0.00 0.00 178.44 179.77 3kqg h GLU 179 N 0.17 1.14 -0.04 1.25 4.81 -0.72 -2.08 114.58 119.11 3kqg h GLU 179 Ca -0.13 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.77 3kqg h GLU 179 Cb 1.82 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 3kqg h GLU 179 CO 0.20 0.87 -0.74 -0.91 -0.73 0.00 0.00 179.01 177.70 3kqg h ASN 180 N 1.13 0.29 -0.83 1.04 2.35 -1.53 -2.27 115.58 115.77 3kqg h ASN 180 Ca 0.28 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3kqg h ASN 180 Cb 0.10 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3kqg h ASN 180 CO -0.04 0.93 0.55 0.24 -1.65 0.00 0.00 177.43 177.46 3kqg h MET 181 N 0.16 1.04 -0.38 0.81 2.86 -1.18 -1.65 114.93 116.59 3kqg h MET 181 Ca -0.03 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 3kqg h MET 181 Cb 1.30 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3kqg h MET 181 CO 0.11 0.69 -0.27 0.77 1.06 0.00 0.00 176.91 179.27 3kqg h SER 182 N 1.07 0.81 0.02 1.22 0.02 -1.14 -0.18 113.55 115.38 3kqg h SER 182 Ca 0.32 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3kqg h SER 182 Cb -0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3kqg h SER 182 CO -0.08 1.04 -0.17 0.11 -1.14 0.00 0.00 176.83 176.59 3kqg h LYS 183 N 0.68 -0.28 -0.05 3.45 1.79 -0.82 -0.77 116.57 120.56 3kqg h LYS 183 Ca 0.08 0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 3kqg h LYS 183 Cb 0.80 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 3kqg h LYS 183 CO 0.07 -0.19 -0.43 -0.07 -1.08 0.00 0.00 179.45 177.74 3kqg h LEU 184 N -0.29 0.13 -0.04 2.94 3.38 -1.20 -2.22 115.31 118.00 3kqg h LEU 184 Ca 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kqg h LEU 184 Cb 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kqg h LEU 184 CO -0.15 0.55 -0.07 0.25 0.09 0.00 0.00 178.44 179.12 3kqg h LEU 185 N 0.10 0.12 -0.37 1.67 5.85 -0.84 -0.42 115.31 121.42 3kqg h LEU 185 Ca 0.01 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.25 3kqg h LEU 185 Cb 0.81 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 3kqg h LEU 185 CO 0.06 0.65 -0.04 0.50 -0.34 0.00 0.00 178.44 179.27 3kqg h LYS 186 N -0.40 0.05 -0.75 1.25 3.64 -1.06 0.21 116.57 119.51 3kqg h LYS 186 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3kqg h LYS 186 Cb 0.62 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3kqg h LYS 186 CO 0.01 0.03 0.29 -0.09 -2.27 0.00 0.00 179.45 177.43 3kqg h ARG 187 N 0.05 1.12 -0.41 1.90 2.43 -1.40 -0.24 114.38 117.83 3kqg h ARG 187 Ca 0.18 -0.20 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 3kqg h ARG 187 Cb 0.27 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3kqg h ARG 187 CO -0.34 0.91 -0.28 0.37 -1.51 0.00 0.00 179.97 179.12 3kqg h GLN 188 N 1.09 0.89 -0.26 0.20 4.15 -0.17 -2.53 115.11 118.48 3kqg h GLN 188 Ca 0.25 -0.40 -0.13 0.00 0.77 0.00 0.00 58.65 59.13 3kqg h GLN 188 Cb 0.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3kqg h GLN 188 CO -0.02 1.05 -0.39 -0.97 -1.93 0.00 0.00 178.83 176.57 3kqg h ASN 189 N 0.75 0.64 -0.21 -0.69 -1.24 -0.35 -0.42 115.58 114.06 3kqg h ASN 189 Ca 0.09 -0.28 0.05 0.00 0.71 0.00 0.00 56.30 56.87 3kqg h ASN 189 Cb 0.84 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.66 3kqg h ASN 189 CO 0.07 0.96 -0.13 0.44 -1.29 0.00 0.00 177.43 177.48 3kqg h ASP 190 N 0.50 -0.42 -0.22 1.15 3.32 -0.88 -0.49 116.42 119.38 3kqg h ASP 190 Ca 0.05 0.09 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 3kqg h ASP 190 Cb 0.90 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3kqg h ASP 190 CO 0.08 -0.17 -0.52 0.40 -1.72 0.00 0.00 179.24 177.31 3kqg h ILE 191 N -0.12 1.28 -0.58 0.35 2.04 -1.29 -3.13 117.51 116.06 3kqg h ILE 191 Ca 0.12 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 3kqg h ILE 191 Cb 0.30 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3kqg h ILE 191 CO -0.29 0.56 0.23 0.25 0.00 0.00 0.00 178.15 178.90 3kqg h LEU 192 N 0.63 0.81 -1.82 1.44 5.85 -0.88 -0.98 115.31 120.36 3kqg h LEU 192 Ca 0.02 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3kqg h LEU 192 Cb 1.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3kqg h LEU 192 CO 0.11 0.76 0.09 1.56 -0.34 0.00 0.00 178.44 180.63 3kqg h GLN 193 N 0.81 0.21 0.13 1.25 1.08 -1.06 0.22 115.11 117.74 3kqg h GLN 193 Ca 0.19 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.18 3kqg h GLN 193 Cb 0.21 -0.05 0.02 0.00 -0.05 0.00 0.00 27.48 27.61 3kqg h GLN 193 CO -0.01 0.15 -0.89 0.28 -0.95 0.00 0.00 178.83 177.41 3kqg h VAL 194 N 0.22 1.44 0.00 -0.54 2.07 -1.44 -3.27 116.25 114.72 3kqg h VAL 194 Ca 0.06 -2.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 3kqg h VAL 194 Cb -0.00 3.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3kqg h VAL 194 CO -0.01 0.70 -0.10 0.58 0.02 0.00 0.00 177.57 178.76 3kqg h VAL 195 N -0.40 0.55 0.00 2.57 2.07 -0.89 -0.78 116.25 119.37 3kqg h VAL 195 Ca -0.17 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3kqg h VAL 195 Cb 1.63 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3kqg h VAL 195 CO 0.12 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 176.62 3kqg n SER 196 N -3.65 0.00 -0.52 0.57 7.64 0.75 -3.02 113.62 115.38 3kqg n SER 196 Ca -0.02 0.10 0.08 0.00 1.01 0.00 0.00 58.87 60.04 3kqg n SER 196 Cb 0.22 -0.34 0.20 0.00 -1.01 0.00 0.00 64.21 63.28 3kqg n SER 196 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kqg n GLN 197 N -1.34 2.04 -0.35 1.43 6.02 -0.31 -4.96 117.38 119.91 3kqg n GLN 197 Ca 0.10 -2.77 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 3kqg n GLN 197 Cb 0.21 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3kqg n GLN 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqg n GLY 198 N -1.01 0.74 3.95 1.08 0.00 -1.17 -5.07 105.19 103.72 3kqg n GLY 198 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3kqg n GLY 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kqg s TRP 199 N -2.40 3.40 0.40 1.61 0.52 -1.16 -4.73 118.94 116.58 3kqg s TRP 199 Ca 0.00 0.19 0.08 0.00 0.02 0.00 0.00 56.10 56.39 3kqg s TRP 199 Cb 0.00 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3kqg s TRP 199 CO 0.00 0.08 0.30 0.15 0.02 0.00 0.00 176.95 177.51 3kqg s LYS 200 N -4.28 2.48 -0.01 4.98 1.02 0.17 -4.12 119.74 119.97 3kqg s LYS 200 Ca 0.41 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.83 3kqg s LYS 200 Cb -0.10 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 3kqg s LYS 200 CO 0.34 -0.11 -0.00 -0.47 -0.92 0.00 0.00 175.35 174.19 3kqg s TYR 201 N -2.47 0.13 -0.25 3.18 5.04 -1.26 -1.15 117.35 120.57 3kqg s TYR 201 Ca 0.45 0.01 -0.12 0.00 -2.44 0.00 0.00 57.07 54.96 3kqg s TYR 201 Cb -0.02 -0.15 0.08 0.00 0.35 0.00 0.00 41.96 42.22 3kqg s TYR 201 CO 0.26 -0.04 0.58 0.12 -1.34 0.00 0.00 175.55 175.14 3kqg s PHE 202 N 0.32 -0.97 -1.30 4.97 5.36 -0.42 -5.00 117.98 120.94 3kqg s PHE 202 Ca -0.03 1.89 -0.22 0.00 -0.96 0.00 0.00 56.93 57.61 3kqg s PHE 202 Cb -0.05 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 3kqg s PHE 202 CO -0.01 -0.50 0.52 1.63 -1.46 0.00 0.00 175.22 175.40 3kqg n LYS 203 N 4.63 -0.82 -1.00 10.12 5.02 -1.26 -1.16 118.16 133.68 3kqg n LYS 203 Ca -0.18 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3kqg n LYS 203 Cb 0.55 -3.18 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 3kqg n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqg n GLY 204 N -2.14 0.49 3.08 0.72 0.00 -1.26 -5.02 105.19 101.06 3kqg n GLY 204 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3kqg n GLY 204 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kqg s ASN 205 N -2.04 1.16 -0.01 1.61 0.01 -0.31 -1.05 114.94 114.31 3kqg s ASN 205 Ca 0.00 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.64 3kqg s ASN 205 Cb 0.00 -0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.57 3kqg s ASN 205 CO 0.00 -0.06 0.25 -0.36 -1.51 0.00 0.00 177.10 175.42 3kqg s PHE 206 N -0.95 3.58 -0.01 2.20 0.08 0.17 -1.30 117.98 121.76 3kqg s PHE 206 Ca -0.03 0.57 0.03 0.00 0.12 0.00 0.00 56.93 57.61 3kqg s PHE 206 Cb -0.08 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3kqg s PHE 206 CO 0.01 0.63 -0.09 0.71 -0.10 0.00 0.00 175.22 176.38 3kqg s TYR 207 N -1.26 0.80 -0.21 0.36 2.02 -0.30 -1.17 117.35 117.60 3kqg s TYR 207 Ca 0.26 -0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 56.77 3kqg s TYR 207 Cb -0.13 -0.52 -0.00 0.00 -0.40 0.00 0.00 41.96 40.91 3kqg s TYR 207 CO 0.15 -0.01 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.56 3kqg s TYR 208 N -0.23 2.92 -0.36 2.71 5.04 -0.27 0.41 117.35 127.56 3kqg s TYR 208 Ca 0.03 -1.11 -0.15 0.00 -2.44 0.00 0.00 57.07 53.40 3kqg s TYR 208 Cb -0.04 -2.06 -0.00 0.00 0.35 0.00 0.00 41.96 40.21 3kqg s TYR 208 CO -0.00 -0.61 0.34 -0.06 -1.34 0.00 0.00 175.55 173.88 3kqg s PHE 209 N 1.43 3.21 0.67 4.97 0.08 -1.26 -0.71 117.98 126.37 3kqg s PHE 209 Ca 0.06 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 56.75 3kqg s PHE 209 Cb -0.14 -2.66 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 3kqg s PHE 209 CO -0.06 -0.49 1.15 -1.54 -0.10 0.00 0.00 175.22 174.19 3kqg s SER 210 N 1.74 4.82 -0.02 1.36 1.04 0.37 -4.95 113.70 118.06 3kqg s SER 210 Ca 0.10 2.16 0.21 0.00 0.48 0.00 0.00 55.95 58.90 3kqg s SER 210 Cb -0.17 -2.57 -0.29 0.00 0.10 0.00 0.00 66.02 63.09 3kqg s SER 210 CO 0.12 -1.83 0.64 0.18 0.98 0.00 0.00 173.24 173.32 3kqg n LEU 211 N -2.40 0.39 -4.34 2.42 4.77 -1.26 -4.65 117.00 111.93 3kqg n LEU 211 Ca 0.12 -0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 3kqg n LEU 211 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 3kqg n LEU 211 CO 0.47 0.10 -0.57 -0.51 -1.33 0.00 0.00 177.39 175.55 3kqg s ILE 212 N -3.29 2.14 0.24 -0.08 2.07 -1.26 -5.05 121.20 115.96 3kqg s ILE 212 Ca -0.02 -1.26 -0.21 0.00 -1.41 0.00 0.00 60.65 57.75 3kqg s ILE 212 Cb 0.15 -1.79 -0.09 0.00 0.13 0.00 0.00 42.46 40.86 3kqg s ILE 212 CO 0.88 0.46 0.77 -2.84 -1.91 0.00 0.00 174.94 172.30 3kqg s PRO 213 N -0.98 4.34 0.07 3.50 0.02 -1.26 -4.51 135.00 136.17 3kqg s PRO 213 Ca 0.11 0.98 -0.03 0.00 0.02 0.00 0.00 61.00 62.09 3kqg s PRO 213 Cb -0.10 -2.89 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 3kqg s PRO 213 CO 0.01 0.38 0.03 0.15 -0.33 0.00 0.00 177.00 177.24 3kqg s LYS 214 N -1.94 0.69 0.99 5.54 1.02 -0.02 -4.76 119.74 121.26 3kqg s LYS 214 Ca 0.44 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 3kqg s LYS 214 Cb -0.17 0.24 0.18 0.00 -0.52 0.00 0.00 37.83 37.56 3kqg s LYS 214 CO 0.22 -0.16 1.10 0.95 -0.92 0.00 0.00 175.35 176.54 3kqg s THR 215 N -3.92 2.18 0.21 2.17 -4.23 -1.25 -2.11 115.64 108.69 3kqg s THR 215 Ca 0.08 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 3kqg s THR 215 Cb 0.07 -2.16 0.16 0.00 1.34 0.00 0.00 72.50 71.91 3kqg s THR 215 CO -0.09 -0.08 1.85 -0.25 -0.54 0.00 0.00 174.62 175.51 3kqg h TRP 216 N -2.05 1.02 -0.22 3.99 7.01 -1.33 -0.23 115.95 124.14 3kqg h TRP 216 Ca -0.50 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.47 3kqg h TRP 216 Cb 1.29 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 3kqg h TRP 216 CO 0.42 0.68 0.03 1.88 -2.79 0.00 0.00 178.44 178.66 3kqg h TYR 217 N 1.06 0.39 -0.26 2.65 0.05 -1.91 -0.76 116.97 118.18 3kqg h TYR 217 Ca 0.28 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.94 3kqg h TYR 217 Cb -0.04 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3kqg h TYR 217 CO -0.01 0.50 -0.11 0.77 -1.05 0.00 0.00 178.16 178.26 3kqg h SER 218 N 0.16 0.41 -0.14 3.88 0.02 -1.88 -1.70 113.55 114.31 3kqg h SER 218 Ca 0.07 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3kqg h SER 218 Cb 0.33 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3kqg h SER 218 CO 0.01 0.56 0.04 0.00 -1.14 0.00 0.00 176.83 176.30 3kqg h ALA 219 N 1.48 0.18 -0.87 3.77 0.00 -0.67 -0.17 119.26 122.97 3kqg h ALA 219 Ca 0.08 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kqg h ALA 219 Cb 0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3kqg h ALA 219 CO 0.03 -0.21 0.55 1.49 0.00 0.00 0.00 179.25 181.11 3kqg h GLU 220 N 0.04 1.00 -1.01 0.00 4.57 -0.92 -0.64 114.58 117.62 3kqg h GLU 220 Ca 0.04 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3kqg h GLU 220 Cb 0.21 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 3kqg h GLU 220 CO -0.00 0.66 0.67 1.96 -1.18 0.00 0.00 179.01 181.12 3kqg h GLN 221 N 1.03 1.31 0.09 1.92 4.20 -1.00 -0.27 115.11 122.40 3kqg h GLN 221 Ca 0.37 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 3kqg h GLN 221 Cb 0.11 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3kqg h GLN 221 CO -0.15 0.87 -0.04 0.35 -0.67 0.00 0.00 178.83 179.18 3kqg h PHE 222 N 1.35 -0.11 -0.59 2.96 3.57 -0.04 -1.50 116.94 122.59 3kqg h PHE 222 Ca 0.37 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.97 3kqg h PHE 222 Cb -0.14 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.56 3kqg h PHE 222 CO -0.00 0.06 0.15 0.00 -2.23 0.00 0.00 178.31 176.29 3kqg h VAL 224 N 0.30 1.16 0.00 0.00 2.07 -0.74 0.00 116.25 119.04 3kqg h VAL 224 Ca 0.30 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3kqg h VAL 224 Cb 0.42 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kqg h VAL 224 CO -0.36 0.20 -0.06 0.77 0.02 0.00 0.00 177.57 178.14 3kqg h SER 225 N 0.38 0.00 -0.58 0.57 4.64 -0.10 -2.45 113.55 116.00 3kqg h SER 225 Ca 0.09 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.10 3kqg h SER 225 Cb 0.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.15 3kqg h SER 225 CO 0.00 0.06 0.16 0.54 -0.87 0.00 0.00 176.83 176.73 3kqg n ARG 226 N -3.28 1.99 -3.55 4.77 5.12 -0.39 -4.95 116.66 116.37 3kqg n ARG 226 Ca -0.01 -3.15 -0.20 0.00 -1.93 0.00 0.00 57.85 52.56 3kqg n ARG 226 Cb 0.25 -1.95 0.07 0.00 -1.16 0.00 0.00 32.46 29.68 3kqg n ARG 226 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kqg n ASN 227 N -1.13 -2.48 -1.18 0.55 5.15 -0.92 -4.97 115.26 110.28 3kqg n ASN 227 Ca 0.43 -0.67 -0.01 0.00 -0.60 0.00 0.00 54.58 53.72 3kqg n ASN 227 Cb 1.25 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.75 3kqg n ASN 227 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kqg n SER 228 N -3.08 -0.23 -4.06 1.20 3.41 -0.15 -4.81 113.62 105.89 3kqg n SER 228 Ca -0.24 -1.17 -0.08 0.00 -0.26 0.00 0.00 58.87 57.13 3kqg n SER 228 Cb 0.65 0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 64.89 3kqg n SER 228 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3kqg s HIS 229 N -8.15 0.47 0.23 7.33 3.76 -0.98 -2.49 115.29 115.46 3kqg s HIS 229 Ca 0.02 -0.88 -0.31 0.00 -0.15 0.00 0.00 55.06 53.73 3kqg s HIS 229 Cb -0.00 -0.34 -0.14 0.00 1.11 0.00 0.00 32.58 33.21 3kqg s HIS 229 CO 0.01 -0.30 1.32 1.28 -0.85 0.00 0.00 174.74 176.20 3kqg n LEU 230 N 0.58 2.68 -4.76 0.89 4.77 -1.26 -0.21 117.00 119.69 3kqg n LEU 230 Ca -0.17 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.57 3kqg n LEU 230 Cb 0.59 -1.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.32 3kqg n LEU 230 CO 0.26 -0.73 0.96 0.28 -1.33 0.00 0.00 177.39 176.83 3kqg s THR 231 N -0.20 2.48 0.50 -5.08 -1.32 -0.17 -4.06 115.64 107.79 3kqg s THR 231 Ca 0.68 0.40 0.03 0.00 -1.21 0.00 0.00 61.69 61.60 3kqg s THR 231 Cb -0.70 -3.23 0.02 0.00 -1.51 0.00 0.00 72.50 67.09 3kqg s THR 231 CO 0.51 0.04 0.69 -0.94 -2.21 0.00 0.00 174.62 172.72 3kqg s SER 232 N -0.84 5.45 -0.19 8.08 1.04 -1.26 -0.40 113.70 125.58 3kqg s SER 232 Ca 0.62 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.92 3kqg s SER 232 Cb -0.38 -0.86 0.05 0.00 0.10 0.00 0.00 66.02 64.92 3kqg s SER 232 CO 0.48 -0.97 -0.05 -0.69 0.98 0.00 0.00 173.24 172.99 3kqg s VAL 233 N -2.60 1.19 -0.21 5.02 1.01 -1.26 -4.99 120.40 118.56 3kqg s VAL 233 Ca 0.56 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3kqg s VAL 233 Cb -0.10 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.92 3kqg s VAL 233 CO 0.36 0.05 0.87 0.35 0.00 0.00 0.00 175.10 176.73 3kqg n THR 234 N 4.83 0.62 -3.47 3.92 -2.24 -1.26 -4.99 114.28 111.69 3kqg n THR 234 Ca -0.12 -0.81 -0.10 0.00 -2.27 0.00 0.00 64.05 60.75 3kqg n THR 234 Cb 0.47 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 3kqg n THR 234 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqg s SER 235 N -0.69 -0.46 0.25 3.42 1.04 -1.26 -5.00 113.70 111.00 3kqg s SER 235 Ca 0.04 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 3kqg s SER 235 Cb 0.02 0.47 0.34 0.00 0.10 0.00 0.00 66.02 66.95 3kqg s SER 235 CO 0.03 -0.74 1.88 -0.33 0.98 0.00 0.00 173.24 175.06 3kqg h GLU 236 N 2.08 1.11 -0.62 4.02 5.08 -1.99 -0.65 114.58 123.62 3kqg h GLU 236 Ca -0.27 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 3kqg h GLU 236 Cb 1.26 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 3kqg h GLU 236 CO 0.34 0.74 0.14 0.66 -1.00 0.00 0.00 179.01 179.89 3kqg h SER 237 N 1.15 0.93 -0.12 1.42 4.64 -1.98 0.14 113.55 119.72 3kqg h SER 237 Ca 0.39 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3kqg h SER 237 Cb 0.08 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3kqg h SER 237 CO -0.15 0.91 0.00 -0.08 -0.87 0.00 0.00 176.83 176.64 3kqg h GLU 238 N 0.94 0.21 -0.80 4.77 4.81 -1.78 -1.24 114.58 121.48 3kqg h GLU 238 Ca 0.20 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.47 3kqg h GLU 238 Cb 0.35 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 3kqg h GLU 238 CO 0.00 0.45 0.43 0.37 -0.73 0.00 0.00 179.01 179.53 3kqg h GLN 239 N -0.06 0.68 -0.18 1.92 5.75 -0.79 -0.84 115.11 121.59 3kqg h GLN 239 Ca 0.03 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3kqg h GLN 239 Cb 0.36 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3kqg h GLN 239 CO 0.01 0.45 0.01 1.49 -2.65 0.00 0.00 178.83 178.14 3kqg h GLU 240 N 0.70 0.32 -0.99 1.69 4.81 -0.61 -1.10 114.58 119.41 3kqg h GLU 240 Ca 0.40 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 3kqg h GLU 240 Cb 0.42 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3kqg h GLU 240 CO -0.28 0.52 0.64 0.35 -0.73 0.00 0.00 179.01 179.51 3kqg h PHE 241 N 0.08 1.17 -0.01 0.92 3.57 -0.86 -2.07 116.94 119.74 3kqg h PHE 241 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kqg h PHE 241 Cb 0.37 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3kqg h PHE 241 CO 0.03 0.60 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.63 3kqg h LEU 242 N 1.14 0.03 -0.75 0.59 3.38 -0.74 -1.21 115.31 117.75 3kqg h LEU 242 Ca 0.43 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3kqg h LEU 242 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kqg h LEU 242 CO -0.18 0.49 -0.42 0.10 0.09 0.00 0.00 178.44 178.52 3kqg h TYR 243 N -0.43 0.52 -0.39 1.13 -0.00 -1.16 -0.71 116.97 115.93 3kqg h TYR 243 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 58.73 58.49 3kqg h TYR 243 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 37.08 3kqg h TYR 243 CO 0.09 0.79 -0.09 0.87 -0.00 0.00 0.00 178.16 179.82 3kqg h LYS 244 N 0.36 0.75 0.00 0.10 1.57 -1.40 -2.99 116.57 114.96 3kqg h LYS 244 Ca 0.03 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 3kqg h LYS 244 Cb 0.90 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3kqg h LYS 244 CO 0.08 0.89 -0.26 1.15 -0.57 0.00 0.00 179.45 180.73 3kqg h THR 245 N 0.56 0.65 0.00 -0.16 2.02 -1.04 -2.36 112.91 112.57 3kqg h THR 245 Ca 0.10 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 3kqg h THR 245 Cb 0.61 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3kqg h THR 245 CO 0.04 0.26 -0.11 0.00 0.37 0.00 0.00 175.52 176.08 3kqg h ALA 246 N 1.74 1.73 -3.49 6.16 0.00 -0.98 -3.46 119.26 120.95 3kqg h ALA 246 Ca -0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 54.91 54.40 3kqg h ALA 246 Cb 0.78 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.56 3kqg h ALA 246 CO 0.03 0.14 -0.56 0.41 0.00 0.00 0.00 179.25 179.28 3kqg n GLY 247 N -1.15 -0.49 1.55 0.00 0.00 -0.89 -1.72 105.19 102.49 3kqg n GLY 247 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kqg n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqg n GLY 248 N -1.21 0.97 3.88 -0.02 0.00 -1.26 -5.05 105.19 102.50 3kqg n GLY 248 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3kqg n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqg s LEU 249 N 0.00 4.16 -0.13 0.99 1.43 -0.70 -5.02 118.68 119.41 3kqg s LEU 249 Ca 0.00 0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 3kqg s LEU 249 Cb 0.00 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3kqg s LEU 249 CO 0.00 -0.08 0.65 -0.63 0.23 0.00 0.00 176.35 176.52 3kqg s ILE 250 N -1.84 5.04 -0.06 -0.59 1.01 -1.26 -4.76 121.20 118.75 3kqg s ILE 250 Ca 0.47 1.30 0.04 0.00 0.00 0.00 0.00 60.65 62.45 3kqg s ILE 250 Cb -0.11 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3kqg s ILE 250 CO 0.23 0.19 -0.17 -0.31 0.00 0.00 0.00 174.94 174.87 3kqg s TYR 251 N 1.32 1.79 0.31 3.97 2.02 -0.71 -3.54 117.35 122.52 3kqg s TYR 251 Ca 0.33 -0.59 -0.29 0.00 -0.37 0.00 0.00 57.07 56.14 3kqg s TYR 251 Cb -0.16 -1.23 -0.13 0.00 -0.40 0.00 0.00 41.96 40.04 3kqg s TYR 251 CO 0.13 -0.24 1.33 0.91 -1.57 0.00 0.00 175.55 176.11 3kqg n TRP 252 N 3.38 2.23 -4.29 2.71 5.03 0.20 0.44 117.44 127.14 3kqg n TRP 252 Ca -0.20 0.51 -0.13 0.00 3.03 0.00 0.00 57.50 60.71 3kqg n TRP 252 Cb 0.53 -2.43 -0.03 0.00 -1.03 0.00 0.00 31.31 28.34 3kqg n TRP 252 CO 0.00 0.00 0.00 0.44 -0.03 0.00 0.00 177.69 178.10 3kqg n ILE 253 N 0.87 0.00 1.47 -0.99 -5.35 -0.87 -1.98 119.36 112.51 3kqg n ILE 253 Ca 0.07 -1.11 0.04 0.00 -0.27 0.00 0.00 62.75 61.48 3kqg n ILE 253 Cb 0.34 0.32 0.24 0.00 -1.74 0.00 0.00 39.64 38.80 3kqg n ILE 253 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kqg n GLY 254 N 1.49 -0.73 3.71 3.28 0.00 0.46 -4.60 105.19 108.80 3kqg n GLY 254 Ca -0.06 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kqg n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqg s LEU 255 N -1.35 4.36 0.10 0.99 1.43 -1.26 -1.70 118.68 121.25 3kqg s LEU 255 Ca 0.12 2.20 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 3kqg s LEU 255 Cb 0.06 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.74 3kqg s LEU 255 CO 0.09 -0.62 0.45 0.28 0.23 0.00 0.00 176.35 176.78 3kqg s THR 256 N 1.39 0.05 -0.33 5.49 -1.32 -0.54 -1.71 115.64 118.67 3kqg s THR 256 Ca 0.63 -0.43 -0.14 0.00 -1.21 0.00 0.00 61.69 60.54 3kqg s THR 256 Cb -0.34 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 69.56 3kqg s THR 256 CO 0.29 -0.24 0.29 -0.54 -2.21 0.00 0.00 174.62 172.21 3kqg s LYS 257 N -3.28 3.63 -0.15 7.08 1.02 0.00 -0.46 119.74 127.58 3kqg s LYS 257 Ca -0.00 -0.46 0.17 0.00 0.02 0.00 0.00 55.97 55.70 3kqg s LYS 257 Cb 0.01 -3.77 0.40 0.00 -0.52 0.00 0.00 37.83 33.94 3kqg s LYS 257 CO -0.08 -0.42 1.28 0.00 -0.92 0.00 0.00 175.35 175.21 3kqg n ALA 258 N 5.22 2.61 -3.78 5.17 0.00 -1.26 -4.80 120.51 123.67 3kqg n ALA 258 Ca -0.11 -2.37 -0.30 0.00 0.00 0.00 0.00 53.44 50.66 3kqg n ALA 258 Cb 0.50 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 19.28 3kqg n ALA 258 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kqg s GLY 262 N -2.29 1.71 0.46 0.00 0.00 -1.26 -4.90 107.32 101.04 3kqg s GLY 262 Ca 0.36 -2.53 0.04 0.00 0.00 0.00 0.00 44.72 42.59 3kqg s GLY 262 CO 0.06 1.42 0.04 0.99 0.00 0.00 0.00 173.10 175.61 3kqg s ASP 263 N 0.53 4.08 0.36 1.64 1.01 -1.26 -5.11 116.67 117.93 3kqg s ASP 263 Ca 0.16 -1.47 -0.28 0.00 0.71 0.00 0.00 52.55 51.66 3kqg s ASP 263 Cb -0.23 0.07 -0.10 0.00 1.01 0.00 0.00 42.92 43.66 3kqg s ASP 263 CO -0.05 -0.68 1.39 0.26 0.21 0.00 0.00 175.17 176.30 3kqg s TRP 264 N -2.78 2.81 0.17 4.23 0.52 -1.26 -4.14 118.94 118.48 3kqg s TRP 264 Ca 0.22 1.30 -0.24 0.00 0.02 0.00 0.00 56.10 57.40 3kqg s TRP 264 Cb 0.05 -3.84 0.06 0.00 -1.15 0.00 0.00 33.47 28.59 3kqg s TRP 264 CO 0.12 -2.42 0.73 -1.54 0.02 0.00 0.00 176.95 173.86 3kqg s SER 265 N -0.34 -0.40 -0.12 2.95 1.04 0.39 -4.76 113.70 112.46 3kqg s SER 265 Ca 0.51 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 3kqg s SER 265 Cb -0.43 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 3kqg s SER 265 CO 0.58 -1.02 0.23 0.26 0.98 0.00 0.00 173.24 174.27 3kqg s TRP 266 N -3.64 3.56 0.17 5.02 0.52 -1.25 -1.47 118.94 121.85 3kqg s TRP 266 Ca 0.06 0.60 0.32 0.00 0.02 0.00 0.00 56.10 57.10 3kqg s TRP 266 Cb -0.02 -2.14 1.35 0.00 -1.15 0.00 0.00 33.47 31.51 3kqg s TRP 266 CO -0.05 0.54 1.98 -0.24 0.02 0.00 0.00 176.95 179.20 3kqg h VAL 267 N 4.19 0.16 -0.14 4.03 3.04 -1.63 -1.68 116.25 124.21 3kqg h VAL 267 Ca -0.49 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 3kqg h VAL 267 Cb 1.20 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 3kqg h VAL 267 CO 0.66 0.05 0.00 -0.90 -1.01 0.00 0.00 177.57 176.37 3kqg n ASP 268 N -3.19 0.77 0.00 3.17 5.68 -1.26 -4.90 116.55 116.82 3kqg n ASP 268 Ca 0.00 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3kqg n ASP 268 Cb 0.31 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3kqg n ASP 268 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kqg n ASP 269 N -0.08 -0.99 -4.70 -1.12 8.00 -0.63 -4.99 116.55 112.04 3kqg n ASP 269 Ca 0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 3kqg n ASP 269 Cb 0.12 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 3kqg n ASP 269 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kqg s THR 270 N -3.18 2.61 0.42 -3.53 2.01 -1.26 -4.94 115.64 107.77 3kqg s THR 270 Ca 0.00 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 3kqg s THR 270 Cb 0.00 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 3kqg s THR 270 CO 0.00 0.00 1.45 -2.65 -0.69 0.00 0.00 174.62 172.74 3kqg n PRO 271 N 5.16 2.41 -3.72 4.92 -0.02 -1.26 -3.83 135.00 138.66 3kqg n PRO 271 Ca 0.16 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 62.12 3kqg n PRO 271 Cb 0.38 -2.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 3kqg n PRO 271 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3kqg s PHE 272 N -1.16 3.13 -0.36 6.00 5.36 -1.26 -4.93 117.98 124.76 3kqg s PHE 272 Ca 0.58 -0.52 -0.13 0.00 -0.96 0.00 0.00 56.93 55.90 3kqg s PHE 272 Cb -0.46 -2.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.93 3kqg s PHE 272 CO 0.60 -0.41 0.26 1.21 -1.46 0.00 0.00 175.22 175.42 3kqg s ASN 273 N 1.61 6.07 0.13 6.13 3.84 -1.26 -4.98 114.94 126.48 3kqg s ASN 273 Ca 0.05 -0.52 -0.22 0.00 0.21 0.00 0.00 52.86 52.38 3kqg s ASN 273 Cb -0.16 -2.14 -0.03 0.00 -0.55 0.00 0.00 41.25 38.37 3kqg s ASN 273 CO 0.04 -0.28 1.67 0.50 -2.79 0.00 0.00 177.10 176.25 3kqg h LYS 274 N 8.52 -0.15 -0.43 0.43 1.63 -1.97 -1.88 116.57 122.71 3kqg h LYS 274 Ca -0.30 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3kqg h LYS 274 Cb 1.15 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 3kqg h LYS 274 CO 0.66 -0.10 0.26 0.28 -3.45 0.00 0.00 179.45 177.09 3kqg h VAL 275 N -0.16 1.14 -0.72 2.00 2.07 -2.01 -1.76 116.25 116.81 3kqg h VAL 275 Ca 0.09 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3kqg h VAL 275 Cb 0.29 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3kqg h VAL 275 CO -0.22 0.14 0.29 1.56 0.02 0.00 0.00 177.57 179.36 3kqg h GLN 276 N 0.57 1.07 0.00 1.57 1.08 -1.95 -3.12 115.11 114.33 3kqg h GLN 276 Ca 0.16 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kqg h GLN 276 Cb -0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 3kqg h GLN 276 CO -0.03 0.87 -0.18 0.43 -0.95 0.00 0.00 178.83 178.97 3kqg n SER 277 N -4.36 0.77 -0.32 1.46 7.64 -0.72 -4.26 113.62 113.82 3kqg n SER 277 Ca 0.06 0.44 0.20 0.00 1.01 0.00 0.00 58.87 60.58 3kqg n SER 277 Cb 0.17 -0.51 0.41 0.00 -1.01 0.00 0.00 64.21 63.27 3kqg n SER 277 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kqg h ALA 278 N 2.53 1.70 0.00 -0.43 0.00 -1.26 0.18 119.26 121.98 3kqg h ALA 278 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kqg h ALA 278 Cb 0.74 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3kqg h ALA 278 CO 0.00 -0.54 0.00 2.89 0.00 0.00 0.00 179.25 181.60 3kqg n ARG 279 N -5.13 0.14 0.00 0.00 1.85 -1.26 -3.09 116.66 109.17 3kqg n ARG 279 Ca 0.28 0.01 0.14 0.00 -1.00 0.00 0.00 57.85 57.28 3kqg n ARG 279 Cb 0.88 -1.50 0.57 0.00 -1.05 0.00 0.00 32.46 31.36 3kqg n ARG 279 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3kqg n PHE 280 N -1.43 0.00 -3.10 2.89 3.72 0.63 -4.10 117.46 116.07 3kqg n PHE 280 Ca 0.09 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.18 3kqg n PHE 280 Cb 0.30 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 3kqg n PHE 280 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3kqg s TRP 281 N -2.08 3.43 0.21 1.38 0.52 -1.18 -1.36 118.94 119.87 3kqg s TRP 281 Ca 0.37 1.02 -0.31 0.00 0.02 0.00 0.00 56.10 57.20 3kqg s TRP 281 Cb 0.21 -2.40 -0.11 0.00 -1.15 0.00 0.00 33.47 30.02 3kqg s TRP 281 CO 0.37 0.05 1.62 0.42 0.02 0.00 0.00 176.95 179.43 3kqg s ILE 282 N -2.12 2.30 0.07 2.03 1.01 0.34 -4.17 121.20 120.66 3kqg s ILE 282 Ca 0.51 0.22 -0.35 0.00 0.00 0.00 0.00 60.65 61.03 3kqg s ILE 282 Cb -0.10 -3.14 -0.14 0.00 0.01 0.00 0.00 42.46 39.08 3kqg s ILE 282 CO 0.25 0.02 1.59 -2.65 0.00 0.00 0.00 174.94 174.15 3kqg n PRO 283 N 3.50 1.84 -0.28 2.79 -0.02 -1.26 -0.06 135.00 141.51 3kqg n PRO 283 Ca 0.13 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3kqg n PRO 283 Cb 0.37 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3kqg n PRO 283 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqg n GLY 284 N 3.43 0.74 3.50 -1.23 0.00 -1.26 -5.07 105.19 105.30 3kqg n GLY 284 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3kqg n GLY 284 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqg s GLU 285 N -0.72 1.85 -0.03 1.61 0.41 0.92 -3.77 118.70 118.96 3kqg s GLU 285 Ca 0.00 -1.15 -0.28 0.00 -0.41 0.00 0.00 54.97 53.13 3kqg s GLU 285 Cb 0.00 -2.15 -0.03 0.00 -1.78 0.00 0.00 34.13 30.18 3kqg s GLU 285 CO 0.00 0.49 0.92 -2.14 -0.49 0.00 0.00 175.26 174.03 3kqg s PRO 286 N -2.13 4.51 0.05 0.39 0.02 -1.26 -4.68 135.00 131.89 3kqg s PRO 286 Ca 0.18 1.29 0.23 0.00 0.02 0.00 0.00 61.00 62.71 3kqg s PRO 286 Cb -0.11 -3.47 -0.01 0.00 0.02 0.00 0.00 34.50 30.93 3kqg s PRO 286 CO 0.10 -0.07 0.97 0.27 -0.33 0.00 0.00 177.00 177.94 3kqg n ASN 287 N 4.08 0.59 -3.94 2.53 6.94 -1.25 -4.99 115.26 119.21 3kqg n ASN 287 Ca 0.05 -0.22 -0.26 0.00 -0.02 0.00 0.00 54.58 54.13 3kqg n ASN 287 Cb 0.51 0.91 -0.02 0.00 -2.36 0.00 0.00 39.78 38.82 3kqg n ASN 287 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3kqg n ASN 288 N -1.99 -0.72 -4.70 0.53 5.15 -1.26 -4.89 115.26 107.37 3kqg n ASN 288 Ca 0.01 -1.02 -0.42 0.00 -0.60 0.00 0.00 54.58 52.56 3kqg n ASN 288 Cb 0.45 -3.03 -0.03 0.00 -0.53 0.00 0.00 39.78 36.63 3kqg n ASN 288 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kqg s ALA 289 N -3.92 3.65 0.00 5.20 0.00 -1.26 -0.75 121.76 124.67 3kqg s ALA 289 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3kqg s ALA 289 Cb -0.02 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3kqg s ALA 289 CO 0.89 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3kqg n GLY 290 N 3.71 1.23 2.80 0.00 0.00 -1.26 -4.09 105.19 107.58 3kqg n GLY 290 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3kqg n GLY 290 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kqg n ASN 291 N 0.00 -4.51 -0.06 1.61 5.15 0.07 -4.80 115.26 112.72 3kqg n ASN 291 Ca 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 3kqg n ASN 291 Cb 0.00 -3.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.50 3kqg n ASN 291 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3kqg n ASN 292 N -2.10 0.07 -4.49 1.20 5.15 -1.26 -5.00 115.26 108.84 3kqg n ASN 292 Ca -0.12 -1.16 -0.43 0.00 -0.60 0.00 0.00 54.58 52.27 3kqg n ASN 292 Cb 0.60 -0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 39.81 3kqg n ASN 292 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kqg s GLU 293 N -0.05 3.72 0.00 1.20 2.02 -1.26 -4.15 118.70 120.18 3kqg s GLU 293 Ca 0.00 -1.79 0.23 0.00 0.02 0.00 0.00 54.97 53.43 3kqg s GLU 293 Cb 0.00 -5.10 0.57 0.00 0.10 0.00 0.00 34.13 29.71 3kqg s GLU 293 CO 0.00 -1.91 1.49 0.72 0.02 0.00 0.00 175.26 175.58 3kqg n HIS 294 N 7.07 0.82 -4.14 1.61 8.25 -1.22 -4.53 115.22 123.09 3kqg n HIS 294 Ca 0.31 -0.42 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 3kqg n HIS 294 Cb 0.48 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 3kqg n HIS 294 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kqg s GLY 296 N -2.99 1.27 0.21 0.00 0.00 -0.69 0.01 107.32 105.12 3kqg s GLY 296 Ca 0.10 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3kqg s GLY 296 CO -0.07 -1.22 0.06 0.54 0.00 0.00 0.00 173.10 172.42 3kqg s ASN 297 N -1.75 1.01 -0.32 1.64 2.20 -0.19 -2.04 114.94 115.48 3kqg s ASN 297 Ca 0.08 -1.28 -0.21 0.00 -0.94 0.00 0.00 52.86 50.51 3kqg s ASN 297 Cb -0.10 0.18 -0.00 0.00 -2.00 0.00 0.00 41.25 39.33 3kqg s ASN 297 CO 0.04 -0.68 0.66 -0.63 -2.94 0.00 0.00 177.10 173.55 3kqg s ILE 298 N -3.79 4.89 0.04 0.54 1.01 0.17 -1.84 121.20 122.22 3kqg s ILE 298 Ca 0.31 0.81 -0.02 0.00 0.00 0.00 0.00 60.65 61.75 3kqg s ILE 298 Cb 0.07 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3kqg s ILE 298 CO 0.08 -0.22 -0.05 1.17 0.00 0.00 0.00 174.94 175.93 3kqg n LYS 299 N 6.00 0.07 -2.78 2.79 4.81 -0.45 -1.73 118.16 126.86 3kqg n LYS 299 Ca -0.00 0.03 -0.40 0.00 -0.87 0.00 0.00 58.31 57.06 3kqg n LYS 299 Cb 0.49 -0.51 -0.05 0.00 0.02 0.00 0.00 35.03 34.97 3kqg n LYS 299 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kqg s ALA 300 N -2.17 3.31 -1.11 3.14 0.00 -0.83 -4.75 121.76 119.37 3kqg s ALA 300 Ca -0.04 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 3kqg s ALA 300 Cb 0.01 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 3kqg s ALA 300 CO 0.06 0.10 2.06 -0.35 0.00 0.00 0.00 175.76 177.63 3kqg n PRO 301 N 2.17 2.16 -3.83 0.00 -0.04 -1.26 -4.34 135.00 129.85 3kqg n PRO 301 Ca -0.01 -2.24 0.01 0.00 -0.04 0.00 0.00 63.50 61.23 3kqg n PRO 301 Cb 0.48 -3.12 0.01 0.00 -0.04 0.00 0.00 33.50 30.83 3kqg n PRO 301 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kqg s SER 302 N 4.19 -0.02 0.53 3.54 1.04 -1.26 -5.01 113.70 116.71 3kqg s SER 302 Ca 0.53 -0.24 0.18 0.00 0.48 0.00 0.00 55.95 56.90 3kqg s SER 302 Cb 0.14 0.21 1.33 0.00 0.10 0.00 0.00 66.02 67.79 3kqg s SER 302 CO 0.02 -0.40 2.15 -0.07 0.98 0.00 0.00 173.24 175.92 3kqg h LEU 303 N 2.00 0.00 -7.37 2.42 3.38 -1.92 -2.98 115.31 110.84 3kqg h LEU 303 Ca -0.26 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 56.97 3kqg h LEU 303 Cb 1.20 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 3kqg h LEU 303 CO 0.31 0.00 1.60 0.00 0.09 0.00 0.00 178.44 180.43 3kqg n GLN 304 N -4.46 3.42 -0.07 1.13 3.00 -1.26 -4.22 117.38 114.92 3kqg n GLN 304 Ca -0.02 -3.73 -0.07 0.00 -0.01 0.00 0.00 57.00 53.17 3kqg n GLN 304 Cb 0.13 -3.03 -0.10 0.00 0.00 0.00 0.00 30.24 27.24 3kqg n GLN 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kqg n ALA 305 N 5.30 1.68 -1.78 -1.58 0.00 -0.65 -3.92 120.51 119.57 3kqg n ALA 305 Ca 0.38 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 3kqg n ALA 305 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 3kqg n ALA 305 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kqg s TRP 306 N -2.31 3.32 0.03 0.00 0.51 -0.46 -1.34 118.94 118.69 3kqg s TRP 306 Ca -0.09 1.55 0.05 0.00 -2.12 0.00 0.00 56.10 55.49 3kqg s TRP 306 Cb 0.04 -3.48 -0.02 0.00 -0.81 0.00 0.00 33.47 29.20 3kqg s TRP 306 CO 0.50 -1.20 -0.16 1.21 -0.51 0.00 0.00 176.95 176.79 3kqg s ASN 307 N -0.63 1.86 -0.05 2.95 2.47 -0.77 -0.50 114.94 120.27 3kqg s ASN 307 Ca 0.47 -0.45 -0.13 0.00 0.42 0.00 0.00 52.86 53.17 3kqg s ASN 307 Cb -0.36 -0.14 -0.05 0.00 -1.45 0.00 0.00 41.25 39.25 3kqg s ASN 307 CO 0.46 0.08 0.35 1.51 -3.72 0.00 0.00 177.10 175.79 3kqg s ASP 308 N -1.04 6.69 0.06 -4.21 -4.77 -1.26 -1.02 116.67 111.12 3kqg s ASP 308 Ca 0.04 0.82 -0.10 0.00 -3.30 0.00 0.00 52.55 50.00 3kqg s ASP 308 Cb -0.08 -2.21 0.01 0.00 -1.09 0.00 0.00 42.92 39.54 3kqg s ASP 308 CO 0.01 0.30 0.22 0.00 0.70 0.00 0.00 175.17 176.39 3kqg s ALA 309 N -0.79 -0.39 0.25 2.11 0.00 0.10 -4.81 121.76 118.23 3kqg s ALA 309 Ca 0.22 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 3kqg s ALA 309 Cb -0.15 0.36 -0.12 0.00 0.00 0.00 0.00 23.12 23.20 3kqg s ALA 309 CO 0.10 -0.42 1.59 -2.30 0.00 0.00 0.00 175.76 174.73 3kqg n PRO 310 N 0.42 2.53 0.10 0.00 -0.02 -1.26 -2.53 135.00 134.24 3kqg n PRO 310 Ca -0.18 0.90 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 3kqg n PRO 310 Cb 0.60 -2.68 0.38 0.00 -0.02 0.00 0.00 33.50 31.78 3kqg n PRO 310 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kqg n ASP 312 N -1.98 2.36 -4.76 0.00 5.75 -1.26 -1.29 116.55 115.37 3kqg n ASP 312 Ca -0.01 -1.79 -0.37 0.00 -0.01 0.00 0.00 54.79 52.62 3kqg n ASP 312 Cb 0.04 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.09 3kqg n ASP 312 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3kqg s LYS 313 N -1.91 3.44 -0.32 0.11 -0.14 -0.29 -4.80 119.74 115.84 3kqg s LYS 313 Ca 0.33 1.86 -0.09 0.00 -1.36 0.00 0.00 55.97 56.71 3kqg s LYS 313 Cb 0.20 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 3kqg s LYS 313 CO 0.31 -0.84 0.15 0.95 -0.76 0.00 0.00 175.35 175.16 3kqg s THR 314 N -1.53 4.49 0.18 2.17 -4.23 -1.26 -3.92 115.64 111.54 3kqg s THR 314 Ca 0.69 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.72 3kqg s THR 314 Cb -0.31 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 3kqg s THR 314 CO 0.36 0.02 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.00 3kqg s PHE 315 N 1.58 1.49 1.13 3.99 0.08 -0.90 -4.70 117.98 120.66 3kqg s PHE 315 Ca 0.04 -0.70 -0.12 0.00 0.12 0.00 0.00 56.93 56.27 3kqg s PHE 315 Cb -0.17 -0.74 0.27 0.00 -0.57 0.00 0.00 43.02 41.80 3kqg s PHE 315 CO 0.06 0.19 1.05 -0.51 -0.10 0.00 0.00 175.22 175.90 3kqg s LEU 316 N -3.25 1.17 0.13 -0.37 1.43 -1.23 -0.84 118.68 115.71 3kqg s LEU 316 Ca 0.20 1.69 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 3kqg s LEU 316 Cb 0.02 -3.67 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 3kqg s LEU 316 CO 0.04 -4.10 0.24 0.72 0.23 0.00 0.00 176.35 173.48 3kqg s PHE 317 N -2.45 0.25 -0.21 0.29 -0.12 -1.26 0.58 117.98 115.06 3kqg s PHE 317 Ca 0.68 -0.64 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 3kqg s PHE 317 Cb -0.25 -0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.14 3kqg s PHE 317 CO 0.64 -0.64 -0.09 0.42 -0.05 0.00 0.00 175.22 175.50 3kqg s ILE 318 N -3.91 1.62 0.31 -4.49 1.01 -0.84 -0.48 121.20 114.43 3kqg s ILE 318 Ca 0.11 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 3kqg s ILE 318 Cb 0.04 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.70 3kqg s ILE 318 CO -0.06 0.10 0.64 0.00 0.00 0.00 0.00 174.94 175.63 3kqg s LYS 320 N -3.36 0.33 -0.10 0.00 2.20 0.71 -1.11 119.74 118.41 3kqg s LYS 320 Ca 0.49 -0.28 -0.12 0.00 -0.36 0.00 0.00 55.97 55.69 3kqg s LYS 320 Cb -0.11 -0.25 0.03 0.00 -1.51 0.00 0.00 37.83 36.00 3kqg s LYS 320 CO 0.26 0.06 0.33 -0.98 -0.36 0.00 0.00 175.35 174.66 3kqg s ARG 321 N -0.48 0.47 0.43 4.03 1.70 -0.31 -2.32 118.95 122.46 3kqg s ARG 321 Ca -0.02 0.29 -0.26 0.00 -0.47 0.00 0.00 55.73 55.27 3kqg s ARG 321 Cb -0.04 0.22 -0.09 0.00 -0.57 0.00 0.00 34.95 34.47 3kqg s ARG 321 CO -0.00 -0.08 1.42 -2.14 -1.08 0.00 0.00 175.30 173.41 3kqg s PRO 322 N -0.22 3.81 -0.19 3.89 0.02 -1.26 0.46 135.00 141.51 3kqg s PRO 322 Ca -0.04 2.40 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 3kqg s PRO 322 Cb -0.03 -2.73 -0.01 0.00 0.02 0.00 0.00 34.50 31.75 3kqg s PRO 322 CO 0.01 -0.71 1.25 -0.47 -0.33 0.00 0.00 177.00 176.76 3kqg s TYR 323 N -1.20 2.86 -0.34 6.54 5.04 -0.22 -4.70 117.35 125.34 3kqg s TYR 323 Ca 0.59 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 56.24 3kqg s TYR 323 Cb -0.43 -3.55 0.09 0.00 0.35 0.00 0.00 41.96 38.42 3kqg s TYR 323 CO 0.56 -1.62 0.06 0.08 -1.34 0.00 0.00 175.55 173.30 3kqg s VAL 324 N 3.61 2.72 0.63 3.14 1.01 -1.26 -4.92 120.40 125.34 3kqg s VAL 324 Ca 0.54 -1.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.41 3kqg s VAL 324 Cb -0.20 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 3kqg s VAL 324 CO 0.15 -0.43 0.59 -2.65 0.00 0.00 0.00 175.10 172.77 3kqg n PRO 325 N 4.46 0.49 0.00 2.72 -0.02 -1.26 -5.17 135.00 136.22 3kqg n PRO 325 Ca -0.04 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 3kqg n PRO 325 Cb 0.42 -1.82 0.37 0.00 -0.02 0.00 0.00 33.50 32.45 3kqg n PRO 325 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35