#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqg n ASN 168 N 0.00 0.83 0.28 1.96 5.15 -1.26 -4.19 115.26 118.03 3kqg n ASN 168 Ca 0.00 -0.75 0.18 0.00 -0.60 0.00 0.00 54.58 53.42 3kqg n ASN 168 Cb 0.00 0.76 0.99 0.00 -0.53 0.00 0.00 39.78 41.00 3kqg n ASN 168 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3kqg h THR 169 N 0.00 0.00 0.07 -0.44 1.35 -2.06 -2.18 112.91 109.66 3kqg h THR 169 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3kqg h THR 169 Cb 0.50 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3kqg h THR 169 CO 0.00 0.00 -0.04 0.50 -0.25 0.00 0.00 175.52 175.73 3kqg h LYS 170 N 0.00 -0.10 -0.51 4.72 3.64 -2.01 -2.80 116.57 119.52 3kqg h LYS 170 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3kqg h LYS 170 Cb 0.03 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3kqg h LYS 170 CO 0.00 0.34 0.28 0.82 -2.27 0.00 0.00 179.45 178.61 3kqg h ILE 171 N -0.56 1.00 -0.90 2.00 1.08 -1.69 -1.92 117.51 116.51 3kqg h ILE 171 Ca -0.01 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 64.40 3kqg h ILE 171 Cb 0.48 0.41 -0.09 0.00 -3.07 0.00 0.00 36.82 34.55 3kqg h ILE 171 CO 0.02 0.10 0.52 0.03 -0.69 0.00 0.00 178.15 178.12 3kqg h ARG 172 N 0.54 0.76 -0.18 2.37 3.08 -1.56 -1.33 114.38 118.06 3kqg h ARG 172 Ca 0.21 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.03 3kqg h ARG 172 Cb 0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3kqg h ARG 172 CO -0.13 0.50 -0.63 0.00 -1.07 0.00 0.00 179.97 178.64 3kqg h ALA 173 N 1.54 0.54 0.79 0.04 0.00 -1.12 -2.41 119.26 118.64 3kqg h ALA 173 Ca 0.47 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kqg h ALA 173 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kqg h ALA 173 CO -0.31 0.70 -0.42 -0.07 0.00 0.00 0.00 179.25 179.15 3kqg h LEU 174 N 0.48 -1.03 -1.29 0.00 3.38 -0.60 -0.37 115.31 115.88 3kqg h LEU 174 Ca -0.01 0.05 0.33 0.00 0.09 0.00 0.00 57.88 58.33 3kqg h LEU 174 Cb 1.21 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 42.13 3kqg h LEU 174 CO 0.12 -0.69 0.70 1.56 0.09 0.00 0.00 178.44 180.23 3kqg h GLN 175 N -1.12 0.29 -0.25 1.13 4.20 -1.28 -0.00 115.11 118.07 3kqg h GLN 175 Ca -0.11 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 3kqg h GLN 175 Cb 0.87 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3kqg h GLN 175 CO 0.15 0.19 -0.06 0.78 -0.67 0.00 0.00 178.83 179.22 3kqg h GLY 176 N 0.29 0.52 0.89 3.46 0.00 -0.81 0.30 103.07 107.73 3kqg h GLY 176 Ca 0.69 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3kqg h GLY 176 CO -0.40 0.39 0.08 1.76 0.00 0.00 0.00 176.54 178.36 3kqg h SER 177 N 0.23 0.43 -0.89 0.19 0.02 0.59 -1.54 113.55 112.58 3kqg h SER 177 Ca 0.06 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3kqg h SER 177 Cb 0.52 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 3kqg h SER 177 CO 0.02 0.54 0.58 0.25 -1.14 0.00 0.00 176.83 177.08 3kqg h LEU 178 N 0.30 0.85 -0.41 5.07 5.85 -0.99 0.30 115.31 126.28 3kqg h LEU 178 Ca 0.09 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 3kqg h LEU 178 Cb 0.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kqg h LEU 178 CO -0.00 0.53 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.91 3kqg h GLU 179 N 0.95 0.91 -0.37 1.25 5.08 -0.63 0.65 114.58 122.43 3kqg h GLU 179 Ca 0.40 -0.48 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 3kqg h GLU 179 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3kqg h GLU 179 CO -0.16 1.13 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.71 3kqg h ASN 180 N 0.75 0.91 -0.48 1.42 4.21 -0.58 -1.74 115.58 120.08 3kqg h ASN 180 Ca 0.06 -0.40 0.04 0.00 1.21 0.00 0.00 56.30 57.20 3kqg h ASN 180 Cb 0.98 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.88 3kqg h ASN 180 CO 0.09 1.17 0.25 0.24 -1.29 0.00 0.00 177.43 177.89 3kqg h MET 181 N 0.71 0.47 -0.92 0.81 2.86 -0.32 -2.10 114.93 116.45 3kqg h MET 181 Ca 0.06 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3kqg h MET 181 Cb 0.93 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.43 3kqg h MET 181 CO 0.09 0.31 0.59 1.03 1.06 0.00 0.00 176.91 179.99 3kqg h SER 182 N 0.49 0.98 -0.67 1.22 0.87 -0.58 -1.10 113.55 114.76 3kqg h SER 182 Ca 0.20 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 3kqg h SER 182 Cb 0.10 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3kqg h SER 182 CO -0.14 0.67 0.10 0.11 -0.53 0.00 0.00 176.83 177.04 3kqg h LYS 183 N 1.14 1.11 -0.37 2.24 1.57 -0.94 -1.66 116.57 119.67 3kqg h LYS 183 Ca 0.37 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 3kqg h LYS 183 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3kqg h LYS 183 CO -0.13 1.02 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.30 3kqg h LEU 184 N 1.04 0.99 -1.18 2.94 3.38 -0.93 -2.34 115.31 119.21 3kqg h LEU 184 Ca 0.20 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3kqg h LEU 184 Cb 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kqg h LEU 184 CO 0.01 1.26 0.30 0.25 0.09 0.00 0.00 178.44 180.36 3kqg h LEU 185 N 0.75 0.79 -0.56 1.67 5.85 -1.07 -0.77 115.31 121.96 3kqg h LEU 185 Ca 0.06 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3kqg h LEU 185 Cb 1.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3kqg h LEU 185 CO 0.10 0.67 0.12 0.50 -0.34 0.00 0.00 178.44 179.49 3kqg h LYS 186 N 0.88 0.91 0.20 1.25 1.63 -1.12 -0.59 116.57 119.74 3kqg h LYS 186 Ca 0.22 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3kqg h LYS 186 Cb 0.08 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3kqg h LYS 186 CO -0.03 0.86 -0.10 -0.09 -3.45 0.00 0.00 179.45 176.64 3kqg h ARG 187 N 0.81 -0.26 -0.73 1.90 2.43 -0.87 -1.77 114.38 115.89 3kqg h ARG 187 Ca 0.18 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 3kqg h ARG 187 Cb 0.37 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 3kqg h ARG 187 CO 0.00 0.04 0.34 1.96 -1.51 0.00 0.00 179.97 180.81 3kqg h GLN 188 N -0.58 0.54 -0.44 0.20 4.20 -1.14 -1.23 115.11 116.67 3kqg h GLN 188 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kqg h GLN 188 Cb 0.43 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3kqg h GLN 188 CO 0.05 0.36 0.29 -0.97 -0.67 0.00 0.00 178.83 177.88 3kqg h ASN 189 N 0.56 0.51 -0.84 1.46 -1.24 -1.02 0.12 115.58 115.13 3kqg h ASN 189 Ca 0.37 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.33 3kqg h ASN 189 Cb 0.45 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 3kqg h ASN 189 CO -0.31 0.37 0.38 0.44 -1.29 0.00 0.00 177.43 177.02 3kqg h ASP 190 N 0.59 1.12 -0.35 1.15 3.32 -0.47 -1.19 116.42 120.59 3kqg h ASP 190 Ca 0.16 -0.15 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 3kqg h ASP 190 Cb -0.06 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.19 3kqg h ASP 190 CO -0.03 0.96 -0.42 0.40 -1.72 0.00 0.00 179.24 178.42 3kqg h ILE 191 N 1.20 1.27 -0.72 0.35 2.04 -0.99 -3.18 117.51 117.48 3kqg h ILE 191 Ca 0.29 -1.60 -0.06 0.00 1.00 0.00 0.00 64.86 64.49 3kqg h ILE 191 Cb 0.15 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3kqg h ILE 191 CO -0.03 0.53 0.23 0.25 0.00 0.00 0.00 178.15 179.12 3kqg h LEU 192 N 0.74 1.06 -1.58 1.44 5.85 -0.34 -0.36 115.31 122.11 3kqg h LEU 192 Ca 0.05 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3kqg h LEU 192 Cb 1.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3kqg h LEU 192 CO 0.10 0.98 -0.20 1.56 -0.34 0.00 0.00 178.44 180.55 3kqg h GLN 193 N 1.07 0.01 0.02 1.25 1.08 -1.24 0.12 115.11 117.43 3kqg h GLN 193 Ca 0.23 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.32 3kqg h GLN 193 Cb 0.31 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3kqg h GLN 193 CO -0.01 0.21 -0.58 0.28 -0.95 0.00 0.00 178.83 177.78 3kqg h VAL 194 N 0.01 1.43 -0.29 -0.54 2.07 -1.47 -3.30 116.25 114.17 3kqg h VAL 194 Ca 0.00 -2.32 0.05 0.00 0.82 0.00 0.00 66.70 65.26 3kqg h VAL 194 Cb 0.36 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3kqg h VAL 194 CO 0.03 0.54 0.20 0.58 0.02 0.00 0.00 177.57 178.93 3kqg h VAL 195 N -0.89 0.94 0.00 2.57 2.07 -1.01 -0.38 116.25 119.56 3kqg h VAL 195 Ca -0.15 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kqg h VAL 195 Cb 1.21 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3kqg h VAL 195 CO -0.05 0.03 0.00 0.28 0.02 0.00 0.00 177.57 177.85 3kqg h SER 196 N 0.17 0.00 -0.50 0.57 0.02 -0.83 -2.61 113.55 110.36 3kqg h SER 196 Ca 0.13 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 3kqg h SER 196 Cb 0.30 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.74 3kqg h SER 196 CO -0.02 0.00 0.12 0.00 -1.14 0.00 0.00 176.83 175.79 3kqg n GLN 197 N -2.37 2.71 -0.71 3.45 6.02 -0.15 -4.91 117.38 121.40 3kqg n GLN 197 Ca -0.01 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 3kqg n GLN 197 Cb 0.10 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.38 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 -0.69 0.62 3.97 1.08 0.00 -0.98 -5.06 105.19 104.13 3kqg n GLY 198 Ca 0.35 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 3.34 0.40 1.61 0.52 -1.23 -4.73 118.94 116.86 3kqg s TRP 199 Ca 0.00 0.02 0.08 0.00 0.02 0.00 0.00 56.10 56.21 3kqg s TRP 199 Cb 0.00 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 3kqg s TRP 199 CO 0.00 0.18 0.38 0.15 0.02 0.00 0.00 176.95 177.67 3kqg s LYS 200 N -4.15 2.60 -0.07 4.98 -0.14 0.17 -4.30 119.74 118.82 3kqg s LYS 200 Ca 0.40 -1.46 -0.05 0.00 -1.36 0.00 0.00 55.97 53.49 3kqg s LYS 200 Cb -0.09 -2.43 0.03 0.00 -1.68 0.00 0.00 37.83 33.65 3kqg s LYS 200 CO 0.32 -0.14 0.18 -0.47 -0.76 0.00 0.00 175.35 174.47 3kqg s TYR 201 N -2.43 -0.20 -0.24 3.18 5.04 -1.26 -1.36 117.35 120.07 3kqg s TYR 201 Ca 0.47 0.51 -0.08 0.00 -2.44 0.00 0.00 57.07 55.53 3kqg s TYR 201 Cb -0.04 0.03 0.11 0.00 0.35 0.00 0.00 41.96 42.40 3kqg s TYR 201 CO 0.28 -0.13 0.52 0.12 -1.34 0.00 0.00 175.55 175.00 3kqg s PHE 202 N 0.50 -1.02 -0.98 4.97 5.36 0.01 -4.99 117.98 121.82 3kqg s PHE 202 Ca -0.03 1.86 -0.15 0.00 -0.96 0.00 0.00 56.93 57.65 3kqg s PHE 202 Cb -0.05 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 3kqg s PHE 202 CO -0.02 -0.56 0.62 1.63 -1.46 0.00 0.00 175.22 175.43 3kqg n LYS 203 N 5.36 -0.95 -0.57 10.12 5.02 -1.26 -1.76 118.16 134.11 3kqg n LYS 203 Ca -0.11 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 3kqg n LYS 203 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.83 1.11 3.17 0.72 0.00 -1.26 -5.03 105.19 102.06 3kqg n GLY 204 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.08 1.78 -0.16 1.61 0.01 -0.72 -0.84 114.94 113.53 3kqg s ASN 205 Ca 0.00 -0.53 -0.08 0.00 -0.71 0.00 0.00 52.86 51.54 3kqg s ASN 205 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 3kqg s ASN 205 CO 0.00 0.00 0.11 -0.36 -1.51 0.00 0.00 177.10 175.34 3kqg s PHE 206 N -1.02 3.41 -0.02 2.20 0.08 0.16 -0.81 117.98 121.98 3kqg s PHE 206 Ca 0.01 0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.45 3kqg s PHE 206 Cb -0.09 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3kqg s PHE 206 CO 0.02 0.42 -0.23 0.71 -0.10 0.00 0.00 175.22 176.03 3kqg s TYR 207 N -0.19 2.10 -0.18 0.36 2.02 -0.47 -0.46 117.35 120.54 3kqg s TYR 207 Ca 0.10 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3kqg s TYR 207 Cb -0.12 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.09 3kqg s TYR 207 CO 0.01 -0.05 -0.12 -0.47 -1.57 0.00 0.00 175.55 173.36 3kqg s TYR 208 N -0.52 2.85 -0.42 2.71 5.04 -0.09 0.43 117.35 127.34 3kqg s TYR 208 Ca 0.08 -1.08 -0.14 0.00 -2.44 0.00 0.00 57.07 53.50 3kqg s TYR 208 Cb -0.09 -1.97 0.05 0.00 0.35 0.00 0.00 41.96 40.29 3kqg s TYR 208 CO -0.01 -0.54 0.31 -0.06 -1.34 0.00 0.00 175.55 173.91 3kqg s PHE 209 N 1.11 3.25 1.10 4.97 0.08 -1.26 -0.67 117.98 126.57 3kqg s PHE 209 Ca 0.01 -0.89 -0.12 0.00 0.12 0.00 0.00 56.93 56.04 3kqg s PHE 209 Cb -0.14 -2.78 0.25 0.00 -0.57 0.00 0.00 43.02 39.77 3kqg s PHE 209 CO -0.03 -0.70 1.05 -1.54 -0.10 0.00 0.00 175.22 173.90 3kqg s SER 210 N 2.00 1.48 -0.01 1.36 1.04 -0.22 -4.97 113.70 114.38 3kqg s SER 210 Ca 0.04 1.62 0.06 0.00 0.48 0.00 0.00 55.95 58.15 3kqg s SER 210 Cb -0.21 -2.32 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 3kqg s SER 210 CO 0.07 -3.91 0.18 0.18 0.98 0.00 0.00 173.24 170.74 3kqg n LEU 211 N -4.73 0.09 -4.27 2.42 4.77 -1.26 -4.75 117.00 109.27 3kqg n LEU 211 Ca 0.05 -0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.57 3kqg n LEU 211 Cb 0.54 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 3kqg n LEU 211 CO 0.56 0.02 -0.56 -0.51 -1.33 0.00 0.00 177.39 175.58 3kqg s ILE 212 N -2.18 1.92 0.47 -0.08 2.07 -1.26 -5.05 121.20 117.10 3kqg s ILE 212 Ca -0.01 -1.03 -0.19 0.00 -1.41 0.00 0.00 60.65 58.01 3kqg s ILE 212 Cb 0.04 -1.60 -0.10 0.00 0.13 0.00 0.00 42.46 40.93 3kqg s ILE 212 CO 0.26 0.54 0.97 -2.84 -1.91 0.00 0.00 174.94 171.96 3kqg s PRO 213 N -0.47 4.10 0.21 3.50 0.02 -1.26 -4.56 135.00 136.54 3kqg s PRO 213 Ca 0.06 1.05 -0.07 0.00 0.02 0.00 0.00 61.00 62.07 3kqg s PRO 213 Cb -0.10 -2.16 -0.02 0.00 0.02 0.00 0.00 34.50 32.24 3kqg s PRO 213 CO 0.00 -0.15 0.29 0.15 -0.33 0.00 0.00 177.00 176.96 3kqg s LYS 214 N -3.57 1.33 0.82 5.54 1.02 0.91 -4.76 119.74 121.02 3kqg s LYS 214 Ca 0.61 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 3kqg s LYS 214 Cb -0.10 0.36 0.08 0.00 -0.52 0.00 0.00 37.83 37.66 3kqg s LYS 214 CO 0.21 -0.49 1.09 0.95 -0.92 0.00 0.00 175.35 176.19 3kqg s THR 215 N -4.07 3.07 0.15 2.17 -4.23 -1.26 -0.85 115.64 110.62 3kqg s THR 215 Ca 0.29 0.35 -0.18 0.00 -1.18 0.00 0.00 61.69 60.97 3kqg s THR 215 Cb 0.03 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.94 3kqg s THR 215 CO 0.09 -0.45 1.68 -0.25 -0.54 0.00 0.00 174.62 175.15 3kqg h TRP 216 N -1.21 -0.17 -0.35 3.99 7.01 -1.55 0.03 115.95 123.71 3kqg h TRP 216 Ca -0.47 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.40 3kqg h TRP 216 Cb 1.26 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.44 3kqg h TRP 216 CO 0.48 -0.14 -0.40 -0.92 -2.79 0.00 0.00 178.44 174.67 3kqg h TYR 217 N 0.00 1.03 -0.45 2.65 3.20 -1.93 -0.52 116.97 120.96 3kqg h TYR 217 Ca 0.15 -0.31 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 3kqg h TYR 217 Cb 0.23 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3kqg h TYR 217 CO -0.30 1.12 -0.02 0.77 -1.64 0.00 0.00 178.16 178.09 3kqg h SER 218 N 0.70 0.71 -0.11 -2.11 0.02 -1.87 0.20 113.55 111.08 3kqg h SER 218 Ca 0.05 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3kqg h SER 218 Cb 0.98 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3kqg h SER 218 CO 0.09 0.79 0.06 0.00 -1.14 0.00 0.00 176.83 176.63 3kqg h ALA 219 N 1.29 0.14 -0.33 3.77 0.00 -0.76 0.78 119.26 124.15 3kqg h ALA 219 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kqg h ALA 219 Cb 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3kqg h ALA 219 CO 0.02 -0.31 0.11 1.49 0.00 0.00 0.00 179.25 180.56 3kqg h GLU 220 N 0.07 0.24 -1.00 0.00 4.57 -0.67 0.38 114.58 118.17 3kqg h GLU 220 Ca 0.04 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3kqg h GLU 220 Cb 0.09 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 3kqg h GLU 220 CO -0.01 0.16 0.65 1.96 -1.18 0.00 0.00 179.01 180.59 3kqg h GLN 221 N 0.25 1.15 0.22 1.92 4.20 -0.44 0.11 115.11 122.52 3kqg h GLN 221 Ca 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3kqg h GLN 221 Cb 0.13 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3kqg h GLN 221 CO -0.16 0.76 -0.11 0.35 -0.67 0.00 0.00 178.83 179.01 3kqg h PHE 222 N 1.19 -0.27 -0.70 2.96 3.57 0.02 -2.14 116.94 121.56 3kqg h PHE 222 Ca 0.43 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.05 3kqg h PHE 222 Cb 0.14 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 3kqg h PHE 222 CO -0.00 -0.04 0.25 0.00 -2.23 0.00 0.00 178.31 176.29 3kqg h VAL 224 N 0.40 1.22 0.00 0.00 2.07 -0.63 -0.73 116.25 118.58 3kqg h VAL 224 Ca 0.38 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kqg h VAL 224 Cb 0.55 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3kqg h VAL 224 CO -0.39 0.23 0.00 0.77 0.02 0.00 0.00 177.57 178.20 3kqg h SER 225 N 1.24 0.00 -0.59 0.57 4.64 -0.27 -0.26 113.55 118.88 3kqg h SER 225 Ca 0.35 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 3kqg h SER 225 Cb -0.11 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.84 3kqg h SER 225 CO -0.09 0.00 0.20 0.54 -0.87 0.00 0.00 176.83 176.61 3kqg n ARG 226 N -2.45 2.53 -3.55 4.77 5.12 -0.40 -4.95 116.66 117.73 3kqg n ARG 226 Ca -0.00 -3.07 -0.24 0.00 -1.93 0.00 0.00 57.85 52.61 3kqg n ARG 226 Cb 0.14 -2.01 0.07 0.00 -1.16 0.00 0.00 32.46 29.51 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 -0.82 -6.33 -0.65 0.55 5.15 -0.11 -4.95 115.26 108.09 3kqg n ASN 227 Ca 0.40 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 3kqg n ASN 227 Cb 1.26 -4.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.52 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 -2.96 0.00 -4.01 1.20 3.41 -0.51 -4.78 113.62 105.97 3kqg n SER 228 Ca -0.00 -0.65 -0.08 0.00 -0.26 0.00 0.00 58.87 57.88 3kqg n SER 228 Cb 0.57 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.42 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 -4.50 0.37 0.21 7.33 3.76 -0.79 -2.77 115.29 118.90 3kqg s HIS 229 Ca 0.00 -0.84 -0.32 0.00 -0.15 0.00 0.00 55.06 53.76 3kqg s HIS 229 Cb 0.00 -0.27 -0.15 0.00 1.11 0.00 0.00 32.58 33.28 3kqg s HIS 229 CO 0.00 -0.40 1.21 1.28 -0.85 0.00 0.00 174.74 175.98 3kqg n LEU 230 N 0.28 2.01 -4.76 0.89 4.77 -1.26 0.33 117.00 119.26 3kqg n LEU 230 Ca -0.16 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.56 3kqg n LEU 230 Cb 0.60 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 3kqg n LEU 230 CO 0.25 -1.09 1.12 0.28 -1.33 0.00 0.00 177.39 176.62 3kqg s THR 231 N -0.28 2.34 0.54 -5.08 -1.32 -0.12 -3.95 115.64 107.78 3kqg s THR 231 Ca 0.70 0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 61.48 3kqg s THR 231 Cb -0.77 -3.20 0.02 0.00 -1.51 0.00 0.00 72.50 67.04 3kqg s THR 231 CO 0.53 0.07 0.79 -0.94 -2.21 0.00 0.00 174.62 172.85 3kqg s SER 232 N 0.04 5.44 -0.13 8.08 1.04 -1.26 -0.59 113.70 126.31 3kqg s SER 232 Ca 0.56 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 57.24 3kqg s SER 232 Cb -0.44 -1.24 0.02 0.00 0.10 0.00 0.00 66.02 64.46 3kqg s SER 232 CO 0.53 -1.05 -0.11 -0.69 0.98 0.00 0.00 173.24 172.90 3kqg s VAL 233 N -2.80 1.30 -0.09 5.02 1.01 -1.26 -4.99 120.40 118.58 3kqg s VAL 233 Ca 0.54 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3kqg s VAL 233 Cb -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3kqg s VAL 233 CO 0.40 0.40 0.50 0.35 0.00 0.00 0.00 175.10 176.75 3kqg n THR 234 N 4.86 0.00 -3.58 3.92 -2.24 -1.26 -4.91 114.28 111.06 3kqg n THR 234 Ca -0.15 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 3kqg n THR 234 Cb 0.50 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.12 -0.37 0.22 3.42 1.04 -1.26 -5.03 113.70 111.60 3kqg s SER 235 Ca 0.01 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 3kqg s SER 235 Cb 0.01 0.52 0.20 0.00 0.10 0.00 0.00 66.02 66.84 3kqg s SER 235 CO 0.01 -0.88 1.65 -0.08 0.98 0.00 0.00 173.24 174.93 3kqg h GLU 236 N 2.00 0.82 -0.70 4.02 4.81 -1.97 -1.50 114.58 122.06 3kqg h GLU 236 Ca -0.26 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 58.60 3kqg h GLU 236 Cb 1.26 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3kqg h GLU 236 CO 0.31 0.92 0.15 0.66 -0.73 0.00 0.00 179.01 180.32 3kqg h SER 237 N 0.73 1.07 -0.45 1.04 4.64 -1.99 -0.53 113.55 118.07 3kqg h SER 237 Ca 0.11 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 3kqg h SER 237 Cb 0.66 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3kqg h SER 237 CO 0.05 1.04 0.01 -0.08 -0.87 0.00 0.00 176.83 176.98 3kqg h GLU 238 N 1.06 0.78 -0.44 4.77 4.81 -1.92 -0.22 114.58 123.42 3kqg h GLU 238 Ca 0.22 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3kqg h GLU 238 Cb 0.40 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3kqg h GLU 238 CO 0.01 0.84 0.15 0.37 -0.73 0.00 0.00 179.01 179.65 3kqg h GLN 239 N 0.63 0.31 -0.72 1.92 5.75 -1.02 -0.02 115.11 121.97 3kqg h GLN 239 Ca 0.13 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3kqg h GLN 239 Cb 0.48 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3kqg h GLN 239 CO 0.02 0.21 0.18 1.49 -2.65 0.00 0.00 178.83 178.08 3kqg h GLU 240 N 0.32 1.15 -0.81 1.69 4.81 -0.84 -0.93 114.58 119.98 3kqg h GLU 240 Ca 0.21 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3kqg h GLU 240 Cb 0.21 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3kqg h GLU 240 CO -0.22 1.00 0.44 0.35 -0.73 0.00 0.00 179.01 179.86 3kqg h PHE 241 N 1.09 1.11 -0.01 0.92 3.57 -0.60 -2.03 116.94 120.99 3kqg h PHE 241 Ca 0.23 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3kqg h PHE 241 Cb 0.36 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3kqg h PHE 241 CO 0.03 0.78 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.81 3kqg h LEU 242 N 1.12 0.02 -0.92 0.59 3.38 -0.47 -0.18 115.31 118.84 3kqg h LEU 242 Ca 0.28 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 3kqg h LEU 242 Cb 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kqg h LEU 242 CO -0.05 0.45 -0.49 0.10 0.09 0.00 0.00 178.44 178.54 3kqg h TYR 243 N -0.42 0.14 -0.09 1.13 -0.00 -1.22 0.56 116.97 117.08 3kqg h TYR 243 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 58.73 58.62 3kqg h TYR 243 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.15 3kqg h TYR 243 CO 0.08 0.58 -0.23 0.87 -0.00 0.00 0.00 178.16 179.46 3kqg h LYS 244 N 0.09 0.31 -0.36 0.10 1.57 -1.37 -3.15 116.57 113.76 3kqg h LYS 244 Ca 0.00 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3kqg h LYS 244 Cb 0.90 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 3kqg h LYS 244 CO 0.07 0.83 -0.08 1.15 -0.57 0.00 0.00 179.45 180.85 3kqg h THR 245 N -0.16 1.23 -0.83 -0.16 2.02 -0.94 -2.56 112.91 111.52 3kqg h THR 245 Ca -0.00 -1.01 0.17 0.00 0.77 0.00 0.00 66.41 66.34 3kqg h THR 245 Cb 0.84 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3kqg h THR 245 CO 0.05 0.34 0.55 0.00 0.37 0.00 0.00 175.52 176.83 3kqg h ALA 246 N 1.36 2.15 -5.32 6.16 0.00 -0.90 -3.46 119.26 119.25 3kqg h ALA 246 Ca 0.11 0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 3kqg h ALA 246 Cb 0.48 -0.05 0.13 0.00 0.00 0.00 0.00 17.79 18.35 3kqg h ALA 246 CO 0.03 -0.39 -0.61 0.41 0.00 0.00 0.00 179.25 178.69 3kqg n GLY 247 N -1.52 -0.38 1.91 0.00 0.00 -0.97 -2.37 105.19 101.87 3kqg n GLY 247 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.84 2.07 3.90 -0.02 0.00 -1.26 -5.04 105.19 103.00 3kqg n GLY 248 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 3.80 -0.16 0.99 1.43 -1.00 -5.01 118.68 118.73 3kqg s LEU 249 Ca 0.00 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 3kqg s LEU 249 Cb 0.00 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 3kqg s LEU 249 CO 0.00 -0.43 0.24 -0.63 0.23 0.00 0.00 176.35 175.76 3kqg s ILE 250 N -2.48 5.34 -0.06 -0.59 1.01 -1.26 -4.73 121.20 118.43 3kqg s ILE 250 Ca 0.47 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.57 3kqg s ILE 250 Cb -0.10 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3kqg s ILE 250 CO 0.37 0.44 -0.07 -0.31 0.00 0.00 0.00 174.94 175.37 3kqg s TYR 251 N 0.19 1.06 0.37 3.97 2.02 -0.54 -3.49 117.35 120.93 3kqg s TYR 251 Ca 0.14 -0.37 -0.26 0.00 -0.37 0.00 0.00 57.07 56.21 3kqg s TYR 251 Cb -0.13 -0.86 -0.12 0.00 -0.40 0.00 0.00 41.96 40.46 3kqg s TYR 251 CO 0.03 -0.25 1.14 0.91 -1.57 0.00 0.00 175.55 175.81 3kqg n TRP 252 N 4.05 1.71 -4.39 2.71 5.03 0.95 -0.05 117.44 127.46 3kqg n TRP 252 Ca -0.23 0.57 -0.18 0.00 3.03 0.00 0.00 57.50 60.69 3kqg n TRP 252 Cb 0.51 -2.32 -0.05 0.00 -1.03 0.00 0.00 31.31 28.43 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 -0.05 0.00 0.87 -0.99 -5.35 -0.93 -2.26 119.36 110.66 3kqg n ILE 253 Ca 0.07 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 3kqg n ILE 253 Cb 0.37 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 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 0.38 0.18 3.66 3.28 0.00 0.24 -4.67 105.19 108.27 3kqg n GLY 254 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.48 4.15 -0.14 0.99 1.43 -1.26 -1.60 118.68 121.78 3kqg s LEU 255 Ca 0.00 1.54 -0.26 0.00 -1.03 0.00 0.00 54.13 54.39 3kqg s LEU 255 Cb 0.00 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.74 3kqg s LEU 255 CO 0.00 -0.69 0.64 0.28 0.23 0.00 0.00 176.35 176.80 3kqg s THR 256 N 3.20 0.01 0.24 5.49 -1.32 -0.78 -0.46 115.64 122.02 3kqg s THR 256 Ca 0.49 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.63 3kqg s THR 256 Cb -0.19 -0.93 -0.09 0.00 -1.51 0.00 0.00 72.50 69.79 3kqg s THR 256 CO 0.11 -0.02 1.11 -0.54 -2.21 0.00 0.00 174.62 173.07 3kqg s LYS 257 N -0.51 4.61 0.18 7.08 1.02 -0.55 -0.84 119.74 130.74 3kqg s LYS 257 Ca -0.06 1.80 -0.02 0.00 0.02 0.00 0.00 55.97 57.71 3kqg s LYS 257 Cb -0.03 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3kqg s LYS 257 CO 0.05 0.14 0.12 0.00 -0.92 0.00 0.00 175.35 174.75 3kqg s ALA 258 N -0.81 0.97 0.03 5.17 0.00 -0.15 -4.93 121.76 122.04 3kqg s ALA 258 Ca 0.47 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3kqg s ALA 258 Cb -0.31 1.18 0.00 0.00 0.00 0.00 0.00 23.12 23.99 3kqg s ALA 258 CO 0.39 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3kqg n GLY 259 N -0.21 -2.21 0.62 0.00 0.00 -1.26 -2.81 105.19 99.32 3kqg n GLY 259 Ca -0.01 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.60 3kqg n GLY 259 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kqg n MET 260 N -1.18 1.79 -0.00 1.61 0.00 -1.26 -3.83 117.12 114.26 3kqg n MET 260 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 57.70 56.56 3kqg n MET 260 Cb 0.05 -1.35 -0.09 0.00 0.00 0.00 0.00 33.22 31.84 3kqg n MET 260 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3kqg n GLU 261 N 0.45 1.85 -2.02 0.03 -0.58 -1.26 -4.98 120.64 114.14 3kqg n GLU 261 Ca 0.14 -0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 3kqg n GLU 261 Cb 0.32 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 3kqg n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kqg n GLY 262 N 1.42 0.26 3.77 0.62 0.00 -1.23 -4.99 105.19 105.05 3kqg n GLY 262 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3kqg n GLY 262 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqg s ASP 263 N -2.52 6.69 0.59 1.61 1.01 -1.12 -4.73 116.67 118.20 3kqg s ASP 263 Ca 0.00 2.20 -0.17 0.00 0.71 0.00 0.00 52.55 55.29 3kqg s ASP 263 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3kqg s ASP 263 CO 0.00 -0.55 1.08 0.26 0.21 0.00 0.00 175.17 176.17 3kqg s TRP 264 N -1.50 2.85 0.22 4.23 0.52 -1.26 -0.97 118.94 123.02 3kqg s TRP 264 Ca 0.56 1.53 -0.16 0.00 0.02 0.00 0.00 56.10 58.06 3kqg s TRP 264 Cb -0.27 -3.09 0.02 0.00 -1.15 0.00 0.00 33.47 28.97 3kqg s TRP 264 CO 0.34 -1.29 0.52 -1.54 0.02 0.00 0.00 176.95 174.99 3kqg s SER 265 N -2.51 -0.19 -0.15 2.95 1.04 -0.02 -4.78 113.70 110.05 3kqg s SER 265 Ca 0.66 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 3kqg s SER 265 Cb -0.18 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3kqg s SER 265 CO 0.35 -1.10 0.09 0.26 0.98 0.00 0.00 173.24 173.82 3kqg s TRP 266 N -3.92 3.37 0.31 5.02 0.52 -1.25 -1.86 118.94 121.12 3kqg s TRP 266 Ca 0.13 0.28 0.22 0.00 0.02 0.00 0.00 56.10 56.74 3kqg s TRP 266 Cb -0.01 -2.00 1.05 0.00 -1.15 0.00 0.00 33.47 31.35 3kqg s TRP 266 CO 0.01 0.41 1.91 -0.24 0.02 0.00 0.00 176.95 179.06 3kqg h VAL 267 N 4.45 0.79 0.00 4.03 3.04 -1.61 -0.85 116.25 126.10 3kqg h VAL 267 Ca -0.45 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 3kqg h VAL 267 Cb 1.19 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 3kqg h VAL 267 CO 0.65 0.24 0.00 -0.90 -1.01 0.00 0.00 177.57 176.55 3kqg n ASP 268 N -3.69 0.00 -0.18 3.17 5.75 -1.26 -4.89 116.55 115.45 3kqg n ASP 268 Ca -0.01 -1.16 -0.02 0.00 -0.01 0.00 0.00 54.79 53.59 3kqg n ASP 268 Cb 0.36 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 3kqg n ASP 268 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kqg n ASP 269 N -0.91 -3.41 -4.72 -1.12 8.00 -0.32 -5.02 116.55 109.04 3kqg n ASP 269 Ca 0.19 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 3kqg n ASP 269 Cb 0.09 -1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 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 -2.04 3.00 0.26 -3.53 2.01 -1.26 -4.95 115.64 109.12 3kqg s THR 270 Ca 0.00 0.74 -0.31 0.00 0.31 0.00 0.00 61.69 62.43 3kqg s THR 270 Cb 0.00 -3.48 -0.13 0.00 0.01 0.00 0.00 72.50 68.91 3kqg s THR 270 CO 0.00 0.07 1.46 -2.65 -0.69 0.00 0.00 174.62 172.81 3kqg n PRO 271 N 3.55 2.22 -2.63 4.92 -0.02 -1.26 -3.92 135.00 137.85 3kqg n PRO 271 Ca 0.11 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 3kqg n PRO 271 Cb 0.41 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.06 3.24 -1.05 6.00 5.36 -1.26 -4.95 117.98 125.25 3kqg s PHE 272 Ca 0.67 1.35 -0.19 0.00 -0.96 0.00 0.00 56.93 57.80 3kqg s PHE 272 Cb -0.60 -3.41 0.10 0.00 -0.34 0.00 0.00 43.02 38.77 3kqg s PHE 272 CO 0.49 -0.67 1.37 1.21 -1.46 0.00 0.00 175.22 176.16 3kqg s ASN 273 N 1.41 6.69 0.16 6.13 3.84 -1.26 -4.88 114.94 127.03 3kqg s ASN 273 Ca 0.45 -2.06 -0.19 0.00 0.21 0.00 0.00 52.86 51.28 3kqg s ASN 273 Cb -0.15 -2.48 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 3kqg s ASN 273 CO 0.09 -1.17 1.65 0.50 -2.79 0.00 0.00 177.10 175.38 3kqg h LYS 274 N 8.71 -0.10 -0.10 0.43 3.64 -1.98 0.54 116.57 127.71 3kqg h LYS 274 Ca 0.24 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3kqg h LYS 274 Cb 0.97 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 3kqg h LYS 274 CO 1.28 -0.06 -0.20 0.28 -2.27 0.00 0.00 179.45 178.48 3kqg h VAL 275 N -0.10 0.50 0.01 2.00 2.07 -2.03 -2.93 116.25 115.77 3kqg h VAL 275 Ca 0.17 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.49 3kqg h VAL 275 Cb 0.36 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3kqg h VAL 275 CO -0.40 0.00 -0.88 -0.61 0.02 0.00 0.00 177.57 175.70 3kqg h GLN 276 N -0.27 0.13 0.00 1.57 4.15 -1.94 -3.24 115.11 115.51 3kqg h GLN 276 Ca 0.09 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3kqg h GLN 276 Cb 0.40 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 3kqg h GLN 276 CO -0.25 0.92 -0.10 0.77 -1.93 0.00 0.00 178.83 178.24 3kqg h SER 277 N 0.07 0.00 -1.07 -0.69 0.02 -0.71 -3.10 113.55 108.06 3kqg h SER 277 Ca -0.03 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.20 3kqg h SER 277 Cb 1.52 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.96 3kqg h SER 277 CO 0.13 0.10 0.68 0.00 -1.14 0.00 0.00 176.83 176.61 3kqg h ALA 278 N 1.90 2.26 -0.00 3.77 0.00 -1.55 0.48 119.26 126.12 3kqg h ALA 278 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kqg h ALA 278 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kqg h ALA 278 CO 0.01 -0.70 -0.03 0.54 0.00 0.00 0.00 179.25 179.07 3kqg n ARG 279 N -4.66 0.53 -0.00 0.00 1.74 -1.17 -3.79 116.66 109.31 3kqg n ARG 279 Ca 0.27 -0.06 0.10 0.00 -0.77 0.00 0.00 57.85 57.39 3kqg n ARG 279 Cb 0.94 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.76 3kqg n ARG 279 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kqg n PHE 280 N -1.18 0.00 -2.97 -1.55 3.72 0.17 -3.64 117.46 112.01 3kqg n PHE 280 Ca 0.15 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.20 3kqg n PHE 280 Cb 0.24 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.06 3.51 0.21 1.38 0.52 -1.21 -0.85 118.94 119.43 3kqg s TRP 281 Ca 0.06 1.49 -0.31 0.00 0.02 0.00 0.00 56.10 57.35 3kqg s TRP 281 Cb 0.16 -2.72 -0.11 0.00 -1.15 0.00 0.00 33.47 29.64 3kqg s TRP 281 CO 0.87 0.14 1.65 0.42 0.02 0.00 0.00 176.95 180.05 3kqg s ILE 282 N -1.82 2.19 -0.15 2.03 1.01 -0.50 -4.34 121.20 119.62 3kqg s ILE 282 Ca 0.52 0.14 -0.38 0.00 0.00 0.00 0.00 60.65 60.94 3kqg s ILE 282 Cb -0.14 -3.09 -0.15 0.00 0.01 0.00 0.00 42.46 39.09 3kqg s ILE 282 CO 0.19 0.01 1.70 -2.65 0.00 0.00 0.00 174.94 174.19 3kqg n PRO 283 N 3.62 1.43 0.00 2.79 -0.02 -1.26 -0.16 135.00 141.39 3kqg n PRO 283 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3kqg n PRO 283 Cb 0.36 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.91 2.40 3.95 -1.23 0.00 -1.26 -5.07 105.19 107.88 3kqg n GLY 284 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.77 3.45 0.05 1.61 0.41 0.77 -3.66 118.70 120.56 3kqg s GLU 285 Ca 0.00 -0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 53.68 3kqg s GLU 285 Cb 0.00 -2.93 -0.04 0.00 -1.78 0.00 0.00 34.13 29.38 3kqg s GLU 285 CO 0.00 0.48 0.98 -2.14 -0.49 0.00 0.00 175.26 174.09 3kqg s PRO 286 N -3.38 4.61 0.00 0.39 0.02 -1.26 -4.68 135.00 130.70 3kqg s PRO 286 Ca 0.35 1.45 0.20 0.00 0.02 0.00 0.00 61.00 63.02 3kqg s PRO 286 Cb -0.11 -3.42 0.21 0.00 0.02 0.00 0.00 34.50 31.20 3kqg s PRO 286 CO 0.29 0.05 1.18 0.27 -0.33 0.00 0.00 177.00 178.45 3kqg n ASN 287 N 3.45 2.79 -4.13 2.53 6.94 -1.24 -4.99 115.26 120.61 3kqg n ASN 287 Ca 0.05 -1.86 -0.33 0.00 -0.02 0.00 0.00 54.58 52.42 3kqg n ASN 287 Cb 0.50 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.83 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 1.16 -0.97 -4.73 0.53 5.15 -1.26 -4.79 115.26 110.34 3kqg n ASN 288 Ca 0.13 -1.20 -0.42 0.00 -0.60 0.00 0.00 54.58 52.49 3kqg n ASN 288 Cb 0.51 -2.09 -0.02 0.00 -0.53 0.00 0.00 39.78 37.65 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 -4.02 3.84 0.00 5.20 0.00 -1.26 -1.31 121.76 124.21 3kqg s ALA 289 Ca 0.15 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3kqg s ALA 289 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3kqg s ALA 289 CO 0.96 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3kqg n GLY 290 N 3.17 0.40 2.83 0.00 0.00 -1.26 -2.70 105.19 107.63 3kqg n GLY 290 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3kqg n GLY 290 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kqg n ASN 291 N -0.26 -4.76 -1.64 1.61 4.13 -0.43 -4.87 115.26 109.04 3kqg n ASN 291 Ca 0.00 -0.12 0.03 0.00 1.68 0.00 0.00 54.58 56.17 3kqg n ASN 291 Cb 0.13 -3.94 0.04 0.00 -1.54 0.00 0.00 39.78 34.46 3kqg n ASN 291 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3kqg n ASN 292 N -2.16 1.16 -3.92 6.41 5.15 -1.10 -4.99 115.26 115.81 3kqg n ASN 292 Ca -0.12 -2.13 -0.29 0.00 -0.60 0.00 0.00 54.58 51.44 3kqg n ASN 292 Cb 0.61 -0.34 -0.13 0.00 -0.53 0.00 0.00 39.78 39.39 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 -0.76 2.22 -0.13 1.20 2.02 -1.26 -3.62 118.70 118.38 3kqg s GLU 293 Ca 0.33 -2.99 0.15 0.00 0.02 0.00 0.00 54.97 52.48 3kqg s GLU 293 Cb 0.38 -3.36 0.43 0.00 0.10 0.00 0.00 34.13 31.68 3kqg s GLU 293 CO -0.14 -1.20 1.34 0.72 0.02 0.00 0.00 175.26 175.99 3kqg n HIS 294 N 2.52 0.70 -4.15 1.61 8.25 -1.22 -4.53 115.22 118.41 3kqg n HIS 294 Ca 0.13 -0.79 -0.09 0.00 -0.26 0.00 0.00 57.72 56.70 3kqg n HIS 294 Cb 0.34 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.03 1.06 0.22 0.00 0.00 0.39 -1.33 107.32 104.63 3kqg s GLY 296 Ca 0.17 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3kqg s GLY 296 CO -0.02 -0.87 -0.02 0.54 0.00 0.00 0.00 173.10 172.73 3kqg s ASN 297 N -0.86 1.83 -0.20 1.64 2.20 -0.09 -2.18 114.94 117.28 3kqg s ASN 297 Ca 0.08 -1.19 -0.18 0.00 -0.94 0.00 0.00 52.86 50.63 3kqg s ASN 297 Cb -0.08 0.01 -0.03 0.00 -2.00 0.00 0.00 41.25 39.14 3kqg s ASN 297 CO 0.01 -0.48 0.51 -0.63 -2.94 0.00 0.00 177.10 173.56 3kqg s ILE 298 N -3.40 5.11 0.11 0.54 1.01 0.93 -0.87 121.20 124.63 3kqg s ILE 298 Ca 0.27 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.85 3kqg s ILE 298 Cb 0.05 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3kqg s ILE 298 CO 0.08 0.18 0.00 1.17 0.00 0.00 0.00 174.94 176.37 3kqg n LYS 299 N 4.76 0.00 -2.68 2.79 4.81 0.13 -1.47 118.16 126.51 3kqg n LYS 299 Ca -0.05 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.03 3kqg n LYS 299 Cb 0.50 -0.19 -0.05 0.00 0.02 0.00 0.00 35.03 35.31 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 -2.00 3.15 -0.79 3.14 0.00 -0.88 -4.77 121.76 119.60 3kqg s ALA 300 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 3kqg s ALA 300 Cb 0.00 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 3kqg s ALA 300 CO 0.00 0.00 3.12 -0.35 0.00 0.00 0.00 175.76 178.53 3kqg n PRO 301 N 0.19 2.98 -3.98 0.00 -0.05 -1.26 -4.44 135.00 128.44 3kqg n PRO 301 Ca 0.04 -1.93 -0.10 0.00 -0.05 0.00 0.00 63.50 61.46 3kqg n PRO 301 Cb 0.50 -2.37 -0.07 0.00 -0.05 0.00 0.00 33.50 31.51 3kqg n PRO 301 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3kqg s SER 302 N 1.59 0.01 0.29 3.54 0.15 -1.26 -5.01 113.70 113.01 3kqg s SER 302 Ca 0.65 -0.91 0.03 0.00 0.70 0.00 0.00 55.95 56.43 3kqg s SER 302 Cb 0.26 0.47 0.64 0.00 -1.71 0.00 0.00 66.02 65.68 3kqg s SER 302 CO -0.07 -0.94 1.78 -0.07 1.20 0.00 0.00 173.24 175.14 3kqg h LEU 303 N 2.48 0.74 -7.90 3.45 3.38 -1.89 -3.12 115.31 112.45 3kqg h LEU 303 Ca -0.31 0.09 -0.67 0.00 0.09 0.00 0.00 57.88 57.08 3kqg h LEU 303 Cb 1.24 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 3kqg h LEU 303 CO 0.46 0.30 2.02 -1.10 0.09 0.00 0.00 178.44 180.21 3kqg s GLN 304 N -5.91 3.92 -0.06 1.13 1.11 -1.24 -4.37 119.66 114.25 3kqg s GLN 304 Ca -0.12 -1.87 0.09 0.00 0.01 0.00 0.00 55.36 53.47 3kqg s GLN 304 Cb 0.24 -5.48 -0.13 0.00 -1.01 0.00 0.00 33.01 26.63 3kqg s GLN 304 CO 0.80 -2.22 0.11 0.00 0.01 0.00 0.00 175.29 173.98 3kqg n ALA 305 N 8.32 2.02 -1.79 6.09 0.00 -0.03 -3.96 120.51 131.17 3kqg n ALA 305 Ca 0.45 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 3kqg n ALA 305 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.40 3.18 0.01 0.00 0.51 -0.22 -0.69 118.94 119.33 3kqg s TRP 306 Ca -0.04 1.62 0.02 0.00 -2.12 0.00 0.00 56.10 55.58 3kqg s TRP 306 Cb 0.04 -3.13 -0.01 0.00 -0.81 0.00 0.00 33.47 29.56 3kqg s TRP 306 CO 0.38 -0.72 -0.06 1.21 -0.51 0.00 0.00 176.95 177.25 3kqg s ASN 307 N -1.65 0.66 -0.01 2.95 2.47 -0.05 -1.41 114.94 117.90 3kqg s ASN 307 Ca 0.60 -0.28 -0.21 0.00 0.42 0.00 0.00 52.86 53.40 3kqg s ASN 307 Cb -0.21 -0.02 -0.05 0.00 -1.45 0.00 0.00 41.25 39.52 3kqg s ASN 307 CO 0.26 -0.05 0.60 1.51 -3.72 0.00 0.00 177.10 175.69 3kqg s ASP 308 N -0.71 6.97 0.09 -4.21 -4.77 -1.26 -0.92 116.67 111.86 3kqg s ASP 308 Ca -0.03 1.16 -0.05 0.00 -3.30 0.00 0.00 52.55 50.33 3kqg s ASP 308 Cb -0.05 -2.36 -0.02 0.00 -1.09 0.00 0.00 42.92 39.39 3kqg s ASP 308 CO 0.00 0.09 0.10 0.00 0.70 0.00 0.00 175.17 176.07 3kqg s ALA 309 N -0.15 0.23 0.24 2.11 0.00 -0.44 -4.81 121.76 118.95 3kqg s ALA 309 Ca 0.31 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 3kqg s ALA 309 Cb -0.18 0.51 -0.11 0.00 0.00 0.00 0.00 23.12 23.34 3kqg s ALA 309 CO 0.17 -0.47 1.57 -2.14 0.00 0.00 0.00 175.76 174.89 3kqg s PRO 310 N -3.92 4.18 0.37 0.00 0.02 -1.24 -2.87 135.00 131.54 3kqg s PRO 310 Ca 0.10 2.47 0.26 0.00 0.02 0.00 0.00 61.00 63.85 3kqg s PRO 310 Cb 0.06 -3.08 1.36 0.00 0.02 0.00 0.00 34.50 32.86 3kqg s PRO 310 CO -0.07 -0.59 1.78 0.00 -0.33 0.00 0.00 177.00 177.78 3kqg n ASP 312 N -2.40 1.47 -4.79 0.00 8.00 -1.26 -1.93 116.55 115.63 3kqg n ASP 312 Ca -0.01 -1.16 -0.35 0.00 0.71 0.00 0.00 54.79 53.97 3kqg n ASP 312 Cb 0.06 0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3kqg n ASP 312 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kqg s LYS 313 N -2.55 4.04 -0.11 -1.24 -0.14 -0.80 -4.78 119.74 114.17 3kqg s LYS 313 Ca 0.20 1.43 -0.14 0.00 -1.36 0.00 0.00 55.97 56.11 3kqg s LYS 313 Cb 0.18 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 3kqg s LYS 313 CO 0.58 -0.23 0.32 0.95 -0.76 0.00 0.00 175.35 176.21 3kqg s THR 314 N -1.80 5.24 0.13 2.17 -4.23 -1.26 -4.15 115.64 111.74 3kqg s THR 314 Ca 0.61 0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 61.68 3kqg s THR 314 Cb -0.19 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 3kqg s THR 314 CO 0.24 0.47 0.20 -0.36 -0.54 0.00 0.00 174.62 174.62 3kqg s PHE 315 N -0.15 0.40 0.83 3.99 0.08 -0.03 -4.78 117.98 118.32 3kqg s PHE 315 Ca 0.19 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.33 3kqg s PHE 315 Cb -0.14 -0.15 0.09 0.00 -0.57 0.00 0.00 43.02 42.25 3kqg s PHE 315 CO 0.07 -0.61 1.14 -0.51 -0.10 0.00 0.00 175.22 175.21 3kqg s LEU 316 N -2.94 3.01 0.12 -0.37 1.43 -1.23 -0.06 118.68 118.64 3kqg s LEU 316 Ca 0.14 2.10 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 3kqg s LEU 316 Cb 0.05 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 3kqg s LEU 316 CO -0.04 -2.56 0.03 0.72 0.23 0.00 0.00 176.35 174.73 3kqg s PHE 317 N -2.60 0.83 -0.15 0.29 -0.12 -1.26 -0.04 117.98 114.94 3kqg s PHE 317 Ca 0.66 -1.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 3kqg s PHE 317 Cb -0.22 -0.49 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 3kqg s PHE 317 CO 0.54 -0.45 -0.16 0.42 -0.05 0.00 0.00 175.22 175.53 3kqg s ILE 318 N -3.97 1.65 0.31 -4.49 1.01 -0.96 -1.06 121.20 113.70 3kqg s ILE 318 Ca 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3kqg s ILE 318 Cb 0.07 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3kqg s ILE 318 CO -0.01 0.47 0.51 0.00 0.00 0.00 0.00 174.94 175.91 3kqg s LYS 320 N -4.08 0.14 0.00 0.00 2.20 0.15 -0.91 119.74 117.25 3kqg s LYS 320 Ca 0.39 0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 56.30 3kqg s LYS 320 Cb -0.10 -0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.14 3kqg s LYS 320 CO 0.34 -0.12 0.09 -0.98 -0.36 0.00 0.00 175.35 174.32 3kqg s ARG 321 N 0.83 0.41 0.35 4.03 1.70 0.39 -1.88 118.95 124.79 3kqg s ARG 321 Ca -0.06 -0.42 -0.26 0.00 -0.47 0.00 0.00 55.73 54.51 3kqg s ARG 321 Cb -0.08 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.37 3kqg s ARG 321 CO -0.04 -0.09 1.08 -1.25 -1.08 0.00 0.00 175.30 173.92 3kqg s PRO 322 N -1.31 4.34 0.00 3.89 0.04 -1.26 0.36 135.00 141.06 3kqg s PRO 322 Ca -0.14 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3kqg s PRO 322 Cb -0.08 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 3kqg s PRO 322 CO 0.01 -0.02 1.51 -0.47 0.04 0.00 0.00 177.00 178.07 3kqg s TYR 323 N -1.43 2.57 -0.15 0.56 5.04 -0.02 -4.78 117.35 119.13 3kqg s TYR 323 Ca 0.52 0.57 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 3kqg s TYR 323 Cb -0.27 -3.79 0.05 0.00 0.35 0.00 0.00 41.96 38.30 3kqg s TYR 323 CO 0.34 -3.08 0.03 0.54 -1.34 0.00 0.00 175.55 172.05 3kqg s VAL 324 N 2.82 0.41 -2.00 3.14 0.11 -1.26 -4.96 120.40 118.66 3kqg s VAL 324 Ca 0.68 -0.31 0.13 0.00 -2.93 0.00 0.00 61.98 59.55 3kqg s VAL 324 Cb -0.34 -0.83 0.38 0.00 -1.53 0.00 0.00 36.38 34.06 3kqg s VAL 324 CO 0.28 -0.07 1.21 -2.65 -3.33 0.00 0.00 175.10 170.54