#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqg h ALA 166 N 0.00 0.91 0.00 7.33 0.00 -2.06 -1.68 119.26 123.76 3kqg h ALA 166 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kqg h ALA 166 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kqg h ALA 166 CO 0.00 0.35 0.00 1.25 0.00 0.00 0.00 179.25 180.85 3kqg h LEU 167 N 0.00 0.00 0.00 0.00 5.85 -2.07 -3.08 115.31 116.01 3kqg h LEU 167 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3kqg h LEU 167 Cb 0.96 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3kqg h LEU 167 CO 0.04 0.00 -0.85 0.78 -0.34 0.00 0.00 178.44 178.06 3kqg h ASN 168 N 0.00 0.00 1.65 1.25 2.35 -1.79 -3.32 115.58 115.72 3kqg h ASN 168 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3kqg h ASN 168 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3kqg h ASN 168 CO 0.00 0.38 -0.31 0.71 -1.65 0.00 0.00 177.43 176.56 3kqg h THR 169 N 0.00 0.54 0.00 2.81 1.35 -1.29 -2.36 112.91 113.96 3kqg h THR 169 Ca -0.06 -1.73 -0.09 0.00 -0.55 0.00 0.00 66.41 63.98 3kqg h THR 169 Cb 1.34 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 3kqg h THR 169 CO 0.04 0.30 -0.42 0.11 -0.25 0.00 0.00 175.52 175.31 3kqg h LYS 170 N 0.00 0.00 0.16 4.72 1.57 -1.64 -2.51 116.57 118.87 3kqg h LYS 170 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3kqg h LYS 170 Cb 1.22 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.55 3kqg h LYS 170 CO 0.04 0.42 -1.08 0.82 -0.57 0.00 0.00 179.45 179.08 3kqg h ILE 171 N 0.00 1.37 -0.85 1.86 2.04 -1.63 -2.40 117.51 117.91 3kqg h ILE 171 Ca -0.00 -2.55 0.09 0.00 1.00 0.00 0.00 64.86 63.39 3kqg h ILE 171 Cb 0.81 3.09 -0.07 0.00 -0.74 0.00 0.00 36.82 39.90 3kqg h ILE 171 CO 0.05 0.74 0.50 -0.09 0.00 0.00 0.00 178.15 179.35 3kqg h ARG 172 N -0.24 0.82 -0.22 2.37 2.43 -1.44 0.22 114.38 118.33 3kqg h ARG 172 Ca -0.20 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.73 3kqg h ARG 172 Cb 1.79 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 3kqg h ARG 172 CO 0.17 0.55 -0.60 0.00 -1.51 0.00 0.00 179.97 178.57 3kqg h ALA 173 N 1.45 0.36 -0.55 2.80 0.00 -1.52 -1.08 119.26 120.72 3kqg h ALA 173 Ca 0.40 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3kqg h ALA 173 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kqg h ALA 173 CO -0.23 0.61 0.02 -0.07 0.00 0.00 0.00 179.25 179.58 3kqg h LEU 174 N 0.53 0.90 0.15 0.00 3.38 -1.14 -2.14 115.31 116.99 3kqg h LEU 174 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3kqg h LEU 174 Cb 1.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kqg h LEU 174 CO 0.13 0.95 -0.15 1.56 0.09 0.00 0.00 178.44 181.02 3kqg h GLN 175 N 0.87 -0.32 -0.43 1.13 4.20 -0.39 -2.43 115.11 117.74 3kqg h GLN 175 Ca 0.16 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3kqg h GLN 175 Cb 0.48 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3kqg h GLN 175 CO 0.02 -0.21 0.22 0.78 -0.67 0.00 0.00 178.83 178.97 3kqg h GLY 176 N -0.33 0.65 1.01 3.46 0.00 -1.14 -2.06 103.07 104.66 3kqg h GLY 176 Ca 0.01 -0.31 0.12 0.00 0.00 0.00 0.00 47.33 47.14 3kqg h GLY 176 CO -0.04 0.29 0.39 0.23 0.00 0.00 0.00 176.54 177.41 3kqg h SER 177 N 0.55 0.25 0.05 0.19 0.87 -1.35 -0.90 113.55 113.21 3kqg h SER 177 Ca 0.15 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3kqg h SER 177 Cb 0.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3kqg h SER 177 CO -0.02 0.14 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.33 3kqg h LEU 178 N 0.27 -0.05 -1.35 2.23 3.38 -0.87 -1.80 115.31 117.12 3kqg h LEU 178 Ca 0.27 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3kqg h LEU 178 Cb 0.69 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3kqg h LEU 178 CO -0.06 0.49 -0.00 -0.08 0.09 0.00 0.00 178.44 178.87 3kqg h GLU 179 N -0.61 0.42 0.63 1.13 4.57 -1.11 0.47 114.58 120.08 3kqg h GLU 179 Ca -0.01 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 3kqg h GLU 179 Cb 0.54 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3kqg h GLU 179 CO 0.01 0.46 -0.36 -0.91 -1.18 0.00 0.00 179.01 177.03 3kqg h ASN 180 N 0.41 -0.89 0.16 1.04 4.21 -1.18 -0.71 115.58 118.62 3kqg h ASN 180 Ca 0.09 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 3kqg h ASN 180 Cb 0.28 0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3kqg h ASN 180 CO 0.01 -0.58 -0.06 0.24 -1.29 0.00 0.00 177.43 175.75 3kqg h MET 181 N -0.93 0.00 -0.06 0.81 2.86 -0.86 -1.46 114.93 115.29 3kqg h MET 181 Ca -0.08 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.35 3kqg h MET 181 Cb 0.74 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.41 3kqg h MET 181 CO 0.10 0.06 -0.76 1.03 1.06 0.00 0.00 176.91 178.39 3kqg h SER 182 N 0.00 0.77 -0.50 1.22 0.87 -0.68 -1.88 113.55 113.35 3kqg h SER 182 Ca -0.00 -0.70 -0.04 0.00 -1.23 0.00 0.00 61.79 59.82 3kqg h SER 182 Cb 0.15 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3kqg h SER 182 CO 0.01 1.36 0.14 0.11 -0.53 0.00 0.00 176.83 177.91 3kqg h LYS 183 N 0.25 0.79 -0.32 2.24 1.79 -0.36 -2.04 116.57 118.92 3kqg h LYS 183 Ca -0.08 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.11 3kqg h LYS 183 Cb 1.42 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 3kqg h LYS 183 CO 0.15 0.75 -0.23 1.25 -1.08 0.00 0.00 179.45 180.29 3kqg h LEU 184 N 0.68 0.62 -0.82 2.94 5.85 -1.34 -1.04 115.31 122.20 3kqg h LEU 184 Ca 0.16 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3kqg h LEU 184 Cb 0.30 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3kqg h LEU 184 CO -0.00 0.84 0.20 0.25 -0.34 0.00 0.00 178.44 179.38 3kqg h LEU 185 N 0.54 1.01 -0.49 2.25 5.85 -1.22 -1.25 115.31 122.00 3kqg h LEU 185 Ca 0.08 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3kqg h LEU 185 Cb 0.69 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3kqg h LEU 185 CO 0.05 0.95 -0.10 0.11 -0.34 0.00 0.00 178.44 179.11 3kqg h LYS 186 N 1.03 0.93 0.07 1.25 1.57 -0.85 -1.12 116.57 119.45 3kqg h LYS 186 Ca 0.22 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kqg h LYS 186 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kqg h LYS 186 CO -0.00 1.00 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.76 3kqg h ARG 187 N 0.78 -0.09 -0.82 3.15 2.43 -1.07 -0.94 114.38 117.83 3kqg h ARG 187 Ca 0.12 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.42 3kqg h ARG 187 Cb 0.65 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 3kqg h ARG 187 CO 0.04 0.05 0.43 1.96 -1.51 0.00 0.00 179.97 180.95 3kqg h GLN 188 N -0.20 0.66 -0.08 0.20 4.20 -1.16 -0.85 115.11 117.88 3kqg h GLN 188 Ca -0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kqg h GLN 188 Cb 0.17 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kqg h GLN 188 CO 0.01 0.44 0.03 -0.97 -0.67 0.00 0.00 178.83 177.67 3kqg h ASN 189 N 0.68 0.11 -0.39 1.46 -1.24 -1.01 0.21 115.58 115.40 3kqg h ASN 189 Ca 0.42 -0.17 0.06 0.00 0.71 0.00 0.00 56.30 57.32 3kqg h ASN 189 Cb 0.50 -0.03 -0.08 0.00 0.73 0.00 0.00 38.32 39.44 3kqg h ASN 189 CO -0.30 0.25 -0.51 0.44 -1.29 0.00 0.00 177.43 176.02 3kqg h ASP 190 N -0.04 -1.69 -0.34 1.15 3.32 -0.34 0.85 116.42 119.34 3kqg h ASP 190 Ca 0.03 0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.34 3kqg h ASP 190 Cb 0.18 0.71 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 3kqg h ASP 190 CO -0.00 -0.40 0.13 0.40 -1.72 0.00 0.00 179.24 177.64 3kqg h ILE 191 N -0.39 0.92 -0.81 0.35 2.04 -1.03 -2.60 117.51 115.99 3kqg h ILE 191 Ca 0.10 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3kqg h ILE 191 Cb 0.60 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3kqg h ILE 191 CO -0.58 0.05 0.51 0.25 0.00 0.00 0.00 178.15 178.38 3kqg h LEU 192 N 0.27 0.95 -1.74 1.44 5.85 -0.01 0.96 115.31 123.02 3kqg h LEU 192 Ca 0.15 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3kqg h LEU 192 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3kqg h LEU 192 CO -0.15 0.71 0.01 -0.61 -0.34 0.00 0.00 178.44 178.06 3kqg h GLN 193 N 1.10 0.16 0.09 1.25 4.15 -0.45 0.13 115.11 121.54 3kqg h GLN 193 Ca 0.29 -0.02 -0.30 0.00 0.77 0.00 0.00 58.65 59.40 3kqg h GLN 193 Cb -0.09 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3kqg h GLN 193 CO -0.06 0.18 -1.59 0.28 -1.93 0.00 0.00 178.83 175.71 3kqg h VAL 194 N 0.16 0.84 -0.74 2.39 2.07 -1.13 -3.33 116.25 116.52 3kqg h VAL 194 Ca 0.04 -2.31 0.13 0.00 0.82 0.00 0.00 66.70 65.38 3kqg h VAL 194 Cb 0.11 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 3kqg h VAL 194 CO 0.00 0.67 0.49 0.58 0.02 0.00 0.00 177.57 179.33 3kqg h VAL 195 N -0.36 0.85 0.00 2.57 2.07 -0.76 -0.58 116.25 120.04 3kqg h VAL 195 Ca -0.36 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3kqg h VAL 195 Cb 1.73 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3kqg h VAL 195 CO -0.01 0.09 0.04 0.28 0.02 0.00 0.00 177.57 177.99 3kqg h SER 196 N 0.49 0.00 -0.42 0.57 0.02 -0.84 -2.00 113.55 111.38 3kqg h SER 196 Ca 0.35 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.09 3kqg h SER 196 Cb 0.70 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.11 3kqg h SER 196 CO -0.12 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.55 3kqg n GLN 197 N -2.83 1.88 -0.94 3.45 6.02 -0.23 -4.93 117.38 119.79 3kqg n GLN 197 Ca -0.02 -3.19 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 3kqg n GLN 197 Cb 0.10 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.51 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 -1.13 0.62 3.94 1.08 0.00 -0.75 -5.04 105.19 103.92 3kqg n GLY 198 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.39 3.33 0.34 1.61 0.52 -1.20 -4.77 118.94 116.38 3kqg s TRP 199 Ca 0.00 0.33 0.10 0.00 0.02 0.00 0.00 56.10 56.54 3kqg s TRP 199 Cb 0.00 -2.21 -0.06 0.00 -1.15 0.00 0.00 33.47 30.05 3kqg s TRP 199 CO 0.00 -0.24 -0.06 0.15 0.02 0.00 0.00 176.95 176.82 3kqg s LYS 200 N -4.52 1.91 -0.01 4.98 1.02 0.31 -4.10 119.74 119.34 3kqg s LYS 200 Ca 0.46 -1.85 0.01 0.00 0.02 0.00 0.00 55.97 54.62 3kqg s LYS 200 Cb -0.10 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 3kqg s LYS 200 CO 0.38 0.16 -0.04 -0.47 -0.92 0.00 0.00 175.35 174.46 3kqg s TYR 201 N -2.56 0.44 -0.18 3.18 5.04 -1.26 0.28 117.35 122.29 3kqg s TYR 201 Ca 0.33 -0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.79 3kqg s TYR 201 Cb 0.01 -0.31 0.07 0.00 0.35 0.00 0.00 41.96 42.07 3kqg s TYR 201 CO 0.17 -0.03 0.41 0.12 -1.34 0.00 0.00 175.55 174.89 3kqg s PHE 202 N 0.05 -0.67 -0.62 4.97 5.36 0.16 -4.99 117.98 122.24 3kqg s PHE 202 Ca -0.00 1.37 -0.11 0.00 -0.96 0.00 0.00 56.93 57.22 3kqg s PHE 202 Cb -0.04 0.28 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 3kqg s PHE 202 CO -0.00 -0.39 0.39 1.63 -1.46 0.00 0.00 175.22 175.38 3kqg n LYS 203 N 4.66 -0.73 -0.46 10.12 5.02 -1.26 -1.43 118.16 134.08 3kqg n LYS 203 Ca -0.18 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3kqg n LYS 203 Cb 0.53 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.43 0.87 3.00 0.72 0.00 -1.26 -5.04 105.19 102.05 3kqg n GLY 204 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.01 0.69 0.10 1.61 0.01 -0.51 -0.04 114.94 113.80 3kqg s ASN 205 Ca 0.00 -0.26 -0.14 0.00 -0.71 0.00 0.00 52.86 51.75 3kqg s ASN 205 Cb 0.00 -0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.57 3kqg s ASN 205 CO 0.00 -0.04 0.50 -0.36 -1.51 0.00 0.00 177.10 175.69 3kqg s PHE 206 N -0.59 3.64 0.07 2.20 0.08 0.17 -0.67 117.98 122.88 3kqg s PHE 206 Ca -0.03 1.01 0.07 0.00 0.12 0.00 0.00 56.93 58.10 3kqg s PHE 206 Cb -0.05 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.05 3kqg s PHE 206 CO 0.00 0.50 -0.18 0.71 -0.10 0.00 0.00 175.22 176.15 3kqg s TYR 207 N -1.36 1.56 -0.21 0.36 2.02 0.14 -1.60 117.35 118.26 3kqg s TYR 207 Ca 0.34 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3kqg s TYR 207 Cb -0.15 -0.89 0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3kqg s TYR 207 CO 0.18 0.11 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.70 3kqg s TYR 208 N -1.03 2.56 -0.56 2.71 5.04 0.32 -0.53 117.35 125.86 3kqg s TYR 208 Ca 0.04 -1.73 -0.19 0.00 -2.44 0.00 0.00 57.07 52.75 3kqg s TYR 208 Cb -0.09 -1.69 0.08 0.00 0.35 0.00 0.00 41.96 40.61 3kqg s TYR 208 CO 0.03 -0.77 0.69 -0.06 -1.34 0.00 0.00 175.55 174.10 3kqg s PHE 209 N 1.35 2.99 1.00 4.97 0.08 -1.26 -0.94 117.98 126.17 3kqg s PHE 209 Ca -0.03 -0.73 -0.11 0.00 0.12 0.00 0.00 56.93 56.19 3kqg s PHE 209 Cb -0.17 -3.83 0.19 0.00 -0.57 0.00 0.00 43.02 38.64 3kqg s PHE 209 CO -0.08 -1.21 1.11 -1.13 -0.10 0.00 0.00 175.22 173.81 3kqg n SER 210 N 6.39 -0.32 -0.00 1.36 3.41 -0.42 -4.96 113.62 119.07 3kqg n SER 210 Ca -0.08 0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.83 3kqg n SER 210 Cb 0.44 -1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 62.90 3kqg n SER 210 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqg n LEU 211 N -4.49 0.46 -4.26 1.04 4.77 -1.26 -4.70 117.00 108.57 3kqg n LEU 211 Ca 0.09 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.39 3kqg n LEU 211 Cb 0.53 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.46 3kqg n LEU 211 CO 0.52 0.12 -0.55 -0.51 -1.33 0.00 0.00 177.39 175.63 3kqg s ILE 212 N -2.37 1.89 0.26 -0.08 2.07 -1.26 -5.06 121.20 116.65 3kqg s ILE 212 Ca 0.03 -1.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.02 3kqg s ILE 212 Cb 0.09 -1.59 -0.09 0.00 0.13 0.00 0.00 42.46 41.01 3kqg s ILE 212 CO 0.53 0.53 0.85 -2.84 -1.91 0.00 0.00 174.94 172.10 3kqg s PRO 213 N -0.37 4.52 0.16 3.50 0.02 -1.26 -4.53 135.00 137.04 3kqg s PRO 213 Ca 0.04 1.19 -0.07 0.00 0.02 0.00 0.00 61.00 62.18 3kqg s PRO 213 Cb -0.11 -2.96 -0.02 0.00 0.02 0.00 0.00 34.50 31.43 3kqg s PRO 213 CO 0.01 0.39 0.23 0.15 -0.33 0.00 0.00 177.00 177.45 3kqg s LYS 214 N -1.77 1.13 0.85 5.54 1.02 -0.03 -4.77 119.74 121.71 3kqg s LYS 214 Ca 0.44 -1.27 -0.10 0.00 0.02 0.00 0.00 55.97 55.06 3kqg s LYS 214 Cb -0.20 0.34 0.11 0.00 -0.52 0.00 0.00 37.83 37.56 3kqg s LYS 214 CO 0.24 -0.39 1.12 0.95 -0.92 0.00 0.00 175.35 176.35 3kqg s THR 215 N -4.00 2.60 0.20 2.17 -4.23 -1.25 -1.61 115.64 109.51 3kqg s THR 215 Ca 0.20 0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 3kqg s THR 215 Cb 0.04 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.60 3kqg s THR 215 CO 0.02 -0.25 1.70 -0.25 -0.54 0.00 0.00 174.62 175.30 3kqg h TRP 216 N -1.54 0.14 -0.16 3.99 7.01 -1.36 0.48 115.95 124.51 3kqg h TRP 216 Ca -0.43 0.03 -0.21 0.00 2.11 0.00 0.00 58.89 60.39 3kqg h TRP 216 Cb 1.25 0.02 0.01 0.00 -2.10 0.00 0.00 29.16 28.34 3kqg h TRP 216 CO 0.53 -0.04 -0.75 -0.92 -2.79 0.00 0.00 178.44 174.48 3kqg h TYR 217 N 0.22 1.01 -0.22 2.65 3.20 -1.92 -1.06 116.97 120.85 3kqg h TYR 217 Ca 0.28 -0.43 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 3kqg h TYR 217 Cb 0.41 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3kqg h TYR 217 CO -0.25 1.26 0.02 0.77 -1.64 0.00 0.00 178.16 178.31 3kqg h SER 218 N 0.52 0.29 -0.09 -2.11 0.02 -1.84 -0.70 113.55 109.64 3kqg h SER 218 Ca -0.04 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3kqg h SER 218 Cb 1.36 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 3kqg h SER 218 CO 0.15 0.33 -0.02 0.00 -1.14 0.00 0.00 176.83 176.15 3kqg h ALA 219 N 1.72 0.12 -0.88 3.77 0.00 -0.54 -2.00 119.26 121.44 3kqg h ALA 219 Ca 0.08 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kqg h ALA 219 Cb 0.18 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3kqg h ALA 219 CO 0.00 -0.15 0.55 1.49 0.00 0.00 0.00 179.25 181.15 3kqg h GLU 220 N -0.17 0.97 -0.87 0.00 4.57 -0.70 0.19 114.58 118.57 3kqg h GLU 220 Ca 0.02 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3kqg h GLU 220 Cb 0.44 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 3kqg h GLU 220 CO 0.01 0.64 0.47 1.96 -1.18 0.00 0.00 179.01 180.91 3kqg h GLN 221 N 1.00 1.22 -0.03 1.92 4.20 -1.09 0.03 115.11 122.35 3kqg h GLN 221 Ca 0.39 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.96 3kqg h GLN 221 Cb 0.19 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3kqg h GLN 221 CO -0.18 0.89 -0.01 0.35 -0.67 0.00 0.00 178.83 179.22 3kqg h PHE 222 N 1.22 -0.01 -0.92 2.96 3.57 -0.46 -1.71 116.94 121.59 3kqg h PHE 222 Ca 0.31 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.82 3kqg h PHE 222 Cb 0.03 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3kqg h PHE 222 CO 0.01 -0.01 0.60 0.00 -2.23 0.00 0.00 178.31 176.68 3kqg h VAL 224 N 1.25 1.25 0.00 0.00 2.07 -0.80 -0.04 116.25 119.98 3kqg h VAL 224 Ca 0.33 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kqg h VAL 224 Cb -0.13 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3kqg h VAL 224 CO -0.07 0.33 0.00 -1.54 0.02 0.00 0.00 177.57 176.31 3kqg n SER 225 N -4.37 0.00 -0.83 0.57 3.41 -0.66 -0.87 113.62 110.87 3kqg n SER 225 Ca 0.03 0.23 0.02 0.00 -0.26 0.00 0.00 58.87 58.89 3kqg n SER 225 Cb 0.24 -0.31 0.18 0.00 -0.26 0.00 0.00 64.21 64.06 3kqg n SER 225 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kqg n ARG 226 N -1.31 1.73 -3.37 4.33 5.12 -0.51 -4.98 116.66 117.68 3kqg n ARG 226 Ca 0.03 -3.34 -0.24 0.00 -1.93 0.00 0.00 57.85 52.37 3kqg n ARG 226 Cb 0.05 -1.60 0.03 0.00 -1.16 0.00 0.00 32.46 29.77 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 -0.98 -5.19 -1.17 0.55 5.15 -0.05 -4.94 115.26 108.63 3kqg n ASN 227 Ca 0.21 -0.44 -0.01 0.00 -0.60 0.00 0.00 54.58 53.73 3kqg n ASN 227 Cb 0.75 -4.19 -0.01 0.00 -0.53 0.00 0.00 39.78 35.80 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 -2.57 -0.06 -3.95 1.20 3.41 -0.15 -4.81 113.62 106.70 3kqg n SER 228 Ca -0.04 -1.17 -0.09 0.00 -0.26 0.00 0.00 58.87 57.31 3kqg n SER 228 Cb 0.57 0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.23 0.22 0.19 7.33 3.76 -0.06 -3.37 115.29 121.13 3kqg s HIS 229 Ca 0.03 -0.51 -0.32 0.00 -0.15 0.00 0.00 55.06 54.11 3kqg s HIS 229 Cb 0.00 -0.16 -0.15 0.00 1.11 0.00 0.00 32.58 33.37 3kqg s HIS 229 CO 0.02 -0.31 1.18 1.28 -0.85 0.00 0.00 174.74 176.06 3kqg n LEU 230 N 1.01 1.69 -4.76 0.89 4.77 -1.26 0.64 117.00 119.98 3kqg n LEU 230 Ca -0.20 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.52 3kqg n LEU 230 Cb 0.57 -1.24 0.02 0.00 -2.33 0.00 0.00 43.42 40.44 3kqg n LEU 230 CO 0.22 -1.23 1.07 0.28 -1.33 0.00 0.00 177.39 176.40 3kqg s THR 231 N -0.23 2.03 0.30 -5.08 -1.32 0.46 -3.88 115.64 107.92 3kqg s THR 231 Ca 0.72 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 61.29 3kqg s THR 231 Cb -0.82 -3.02 -0.02 0.00 -1.51 0.00 0.00 72.50 67.13 3kqg s THR 231 CO 0.52 0.00 0.41 -0.94 -2.21 0.00 0.00 174.62 172.40 3kqg s SER 232 N -0.53 5.99 -0.12 8.08 1.04 -1.26 0.76 113.70 127.65 3kqg s SER 232 Ca 0.62 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.93 3kqg s SER 232 Cb -0.44 -1.40 0.01 0.00 0.10 0.00 0.00 66.02 64.30 3kqg s SER 232 CO 0.56 -0.30 -0.18 -0.69 0.98 0.00 0.00 173.24 173.61 3kqg s VAL 233 N -2.13 1.76 0.00 5.02 1.01 -1.26 -4.99 120.40 119.81 3kqg s VAL 233 Ca 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3kqg s VAL 233 Cb -0.09 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3kqg s VAL 233 CO 0.30 0.49 0.54 0.35 0.00 0.00 0.00 175.10 176.78 3kqg n THR 234 N 4.14 0.29 -3.52 3.92 -2.24 -1.26 -5.01 114.28 110.62 3kqg n THR 234 Ca -0.19 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 3kqg n THR 234 Cb 0.51 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.29 -0.37 0.20 3.42 1.04 -1.26 -5.01 113.70 111.43 3kqg s SER 235 Ca 0.00 0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.41 3kqg s SER 235 Cb 0.00 0.37 0.23 0.00 0.10 0.00 0.00 66.02 66.72 3kqg s SER 235 CO 0.00 -0.58 1.78 -0.33 0.98 0.00 0.00 173.24 175.10 3kqg h GLU 236 N 2.11 0.54 -0.63 4.02 5.08 -1.98 -0.63 114.58 123.09 3kqg h GLU 236 Ca -0.22 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 3kqg h GLU 236 Cb 1.23 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3kqg h GLU 236 CO 0.31 0.36 0.10 0.66 -1.00 0.00 0.00 179.01 179.44 3kqg h SER 237 N 0.56 0.98 -0.40 1.42 4.64 -1.98 0.23 113.55 119.00 3kqg h SER 237 Ca 0.28 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 3kqg h SER 237 Cb 0.23 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3kqg h SER 237 CO -0.21 0.98 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.48 3kqg h GLU 238 N 0.97 0.82 -0.65 4.77 4.81 -1.89 0.44 114.58 123.85 3kqg h GLU 238 Ca 0.19 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3kqg h GLU 238 Cb 0.42 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3kqg h GLU 238 CO 0.01 0.98 0.43 0.37 -0.73 0.00 0.00 179.01 180.07 3kqg h GLN 239 N 0.63 0.77 -0.21 1.92 5.75 -0.68 -1.27 115.11 122.02 3kqg h GLN 239 Ca 0.09 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.34 3kqg h GLN 239 Cb 0.72 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 29.10 3kqg h GLN 239 CO 0.05 0.51 -0.67 1.49 -2.65 0.00 0.00 178.83 177.56 3kqg h GLU 240 N 0.80 0.82 -0.65 1.69 4.81 -0.21 -2.72 114.58 119.11 3kqg h GLU 240 Ca 0.26 -0.59 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 3kqg h GLU 240 Cb 0.04 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3kqg h GLU 240 CO -0.07 1.21 0.31 0.35 -0.73 0.00 0.00 179.01 180.08 3kqg h PHE 241 N 0.59 0.92 0.06 0.92 3.57 -0.38 -2.65 116.94 119.97 3kqg h PHE 241 Ca -0.02 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3kqg h PHE 241 Cb 1.29 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3kqg h PHE 241 CO 0.08 0.67 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.73 3kqg h LEU 242 N 0.92 -0.07 -1.25 0.59 3.38 -1.15 -2.23 115.31 115.50 3kqg h LEU 242 Ca 0.23 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3kqg h LEU 242 Cb 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kqg h LEU 242 CO -0.03 0.59 -0.34 0.10 0.09 0.00 0.00 178.44 178.86 3kqg h TYR 243 N -0.80 0.00 0.83 1.13 -0.00 -1.56 -0.68 116.97 115.89 3kqg h TYR 243 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.68 3kqg h TYR 243 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.37 3kqg h TYR 243 CO 0.14 0.34 -0.40 0.87 -0.00 0.00 0.00 178.16 179.11 3kqg h LYS 244 N 0.00 -1.07 -0.02 0.10 1.79 -1.52 -3.15 116.57 112.70 3kqg h LYS 244 Ca -0.00 0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3kqg h LYS 244 Cb 0.70 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3kqg h LYS 244 CO 0.04 -0.72 0.02 1.15 -1.08 0.00 0.00 179.45 178.87 3kqg h THR 245 N -1.26 0.57 0.00 -0.16 2.02 -1.24 -0.27 112.91 112.57 3kqg h THR 245 Ca -0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3kqg h THR 245 Cb 0.85 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3kqg h THR 245 CO 0.19 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.93 3kqg h ALA 246 N 1.97 1.17 -5.48 6.16 0.00 -1.08 -3.47 119.26 118.53 3kqg h ALA 246 Ca 0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 54.91 54.37 3kqg h ALA 246 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3kqg h ALA 246 CO -0.00 0.19 -0.62 0.41 0.00 0.00 0.00 179.25 179.23 3kqg n GLY 247 N -0.37 -0.50 1.23 0.00 0.00 -0.11 -1.10 105.19 104.34 3kqg n GLY 247 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.37 2.13 3.83 -0.02 0.00 -1.26 -5.04 105.19 103.46 3kqg n GLY 248 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.63 -0.19 0.99 1.43 -0.25 -5.01 118.68 119.28 3kqg s LEU 249 Ca 0.00 1.66 -0.10 0.00 -1.03 0.00 0.00 54.13 54.66 3kqg s LEU 249 Cb 0.00 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 3kqg s LEU 249 CO 0.00 -0.72 0.12 -0.63 0.23 0.00 0.00 176.35 175.36 3kqg s ILE 250 N -2.52 5.36 -0.05 -0.59 1.01 -1.26 -4.76 121.20 118.40 3kqg s ILE 250 Ca 0.61 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.45 3kqg s ILE 250 Cb -0.12 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.93 3kqg s ILE 250 CO 0.31 0.46 -0.08 -0.31 0.00 0.00 0.00 174.94 175.31 3kqg s TYR 251 N 0.26 1.04 0.39 3.97 2.02 -0.94 -3.37 117.35 120.72 3kqg s TYR 251 Ca 0.08 -0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.20 3kqg s TYR 251 Cb -0.11 -0.80 -0.11 0.00 -0.40 0.00 0.00 41.96 40.54 3kqg s TYR 251 CO -0.01 -0.19 1.16 0.91 -1.57 0.00 0.00 175.55 175.84 3kqg n TRP 252 N 3.73 1.74 -4.48 2.71 5.03 0.61 0.32 117.44 127.11 3kqg n TRP 252 Ca -0.23 0.56 -0.22 0.00 3.03 0.00 0.00 57.50 60.64 3kqg n TRP 252 Cb 0.52 -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 -0.14 0.00 0.66 -0.99 -5.35 -0.77 -2.19 119.36 110.57 3kqg n ILE 253 Ca 0.07 -1.74 0.00 0.00 -0.27 0.00 0.00 62.75 60.81 3kqg n ILE 253 Cb 0.38 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 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 0.83 3.68 3.28 0.00 0.23 -4.64 105.19 108.94 3kqg n GLY 254 Ca -0.11 0.00 -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 -0.06 4.23 0.04 0.99 1.43 -1.26 -1.61 118.68 122.43 3kqg s LEU 255 Ca 0.00 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 3kqg s LEU 255 Cb 0.00 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.90 3kqg s LEU 255 CO 0.00 -0.38 0.47 0.28 0.23 0.00 0.00 176.35 176.95 3kqg s THR 256 N 1.89 0.04 0.01 5.49 -1.32 -0.78 -1.41 115.64 119.56 3kqg s THR 256 Ca 0.43 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 60.28 3kqg s THR 256 Cb -0.18 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 3kqg s THR 256 CO 0.16 -0.18 0.96 -0.54 -2.21 0.00 0.00 174.62 172.81 3kqg s LYS 257 N -2.34 4.57 -0.05 7.08 1.02 0.06 -0.78 119.74 129.29 3kqg s LYS 257 Ca -0.06 1.40 -0.05 0.00 0.02 0.00 0.00 55.97 57.27 3kqg s LYS 257 Cb -0.01 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 3kqg s LYS 257 CO -0.01 -0.02 0.15 0.00 -0.92 0.00 0.00 175.35 174.55 3kqg s ALA 258 N 0.91 -0.37 0.00 5.17 0.00 -0.76 -4.93 121.76 121.77 3kqg s ALA 258 Ca 0.51 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3kqg s ALA 258 Cb -0.21 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3kqg s ALA 258 CO 0.28 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3kqg n GLY 259 N 2.91 1.49 0.06 0.00 0.00 -1.26 -3.47 105.19 104.93 3kqg n GLY 259 Ca -0.13 -2.26 0.15 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.96 0.85 0.00 1.61 0.00 -1.26 -3.72 117.12 113.64 3kqg n MET 260 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.58 3kqg n MET 260 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.72 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 -0.97 0.23 -2.90 0.03 1.02 -1.26 -5.02 120.64 111.77 3kqg n GLU 261 Ca 0.19 -0.61 -0.11 0.00 -0.02 0.00 0.00 57.16 56.62 3kqg n GLU 261 Cb 0.20 -0.83 0.06 0.00 -0.02 0.00 0.00 31.44 30.84 3kqg n GLU 261 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqg n GLY 262 N -0.11 -0.06 3.73 0.62 0.00 -1.24 -5.00 105.19 103.12 3kqg n GLY 262 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.83 7.38 0.23 1.61 1.01 -1.23 -4.83 116.67 117.01 3kqg s ASP 263 Ca 0.01 1.65 -0.30 0.00 0.71 0.00 0.00 52.55 54.62 3kqg s ASP 263 Cb -0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 3kqg s ASP 263 CO 0.46 -0.09 1.34 0.26 0.21 0.00 0.00 175.17 177.35 3kqg s TRP 264 N 0.22 3.17 0.21 4.23 0.52 -1.26 -1.83 118.94 124.20 3kqg s TRP 264 Ca 0.45 1.20 -0.05 0.00 0.02 0.00 0.00 56.10 57.72 3kqg s TRP 264 Cb -0.22 -3.67 -0.03 0.00 -1.15 0.00 0.00 33.47 28.41 3kqg s TRP 264 CO 0.27 -2.08 0.24 -1.54 0.02 0.00 0.00 176.95 173.87 3kqg s SER 265 N 0.22 0.07 -0.15 2.95 1.04 0.04 -4.81 113.70 113.07 3kqg s SER 265 Ca 0.56 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 3kqg s SER 265 Cb -0.38 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3kqg s SER 265 CO 0.41 -0.94 0.11 0.26 0.98 0.00 0.00 173.24 174.06 3kqg s TRP 266 N -4.11 3.43 0.30 5.02 0.52 -1.26 -1.87 118.94 120.98 3kqg s TRP 266 Ca 0.33 0.35 0.08 0.00 0.02 0.00 0.00 56.10 56.88 3kqg s TRP 266 Cb 0.04 -2.00 0.48 0.00 -1.15 0.00 0.00 33.47 30.84 3kqg s TRP 266 CO 0.11 0.48 1.71 -0.24 0.02 0.00 0.00 176.95 179.03 3kqg h VAL 267 N 4.35 1.31 0.00 4.03 3.04 -1.61 -2.06 116.25 125.31 3kqg h VAL 267 Ca -0.47 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 63.69 3kqg h VAL 267 Cb 1.19 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 3kqg h VAL 267 CO 0.65 0.45 0.00 -0.90 -1.01 0.00 0.00 177.57 176.76 3kqg n ASP 268 N -4.02 0.00 -0.00 3.17 5.75 -1.26 -4.83 116.55 115.35 3kqg n ASP 268 Ca -0.02 -1.26 -0.00 0.00 -0.01 0.00 0.00 54.79 53.51 3kqg n ASP 268 Cb 0.48 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.59 -4.06 -4.68 -1.12 8.00 -0.78 -4.99 116.55 108.34 3kqg n ASP 269 Ca 0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3kqg n ASP 269 Cb 0.01 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 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 -1.65 3.00 0.14 -3.53 2.01 -1.26 -4.92 115.64 109.43 3kqg s THR 270 Ca 0.00 0.29 -0.34 0.00 0.31 0.00 0.00 61.69 61.94 3kqg s THR 270 Cb 0.00 -3.19 -0.14 0.00 0.01 0.00 0.00 72.50 69.18 3kqg s THR 270 CO 0.00 -0.01 1.54 -2.65 -0.69 0.00 0.00 174.62 172.81 3kqg n PRO 271 N 6.42 1.96 -2.82 4.92 -0.02 -1.26 -4.04 135.00 140.16 3kqg n PRO 271 Ca 0.18 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 3kqg n PRO 271 Cb 0.40 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.90 3.46 -0.46 6.00 5.36 -1.26 -4.98 117.98 127.00 3kqg s PHE 272 Ca 0.80 1.38 -0.17 0.00 -0.96 0.00 0.00 56.93 57.98 3kqg s PHE 272 Cb -0.73 -3.07 0.05 0.00 -0.34 0.00 0.00 43.02 38.93 3kqg s PHE 272 CO 0.40 -0.22 0.48 1.21 -1.46 0.00 0.00 175.22 175.62 3kqg s ASN 273 N 1.11 6.18 0.18 6.13 3.84 -1.26 -4.94 114.94 126.19 3kqg s ASN 273 Ca 0.42 -0.96 -0.09 0.00 0.21 0.00 0.00 52.86 52.44 3kqg s ASN 273 Cb -0.17 -2.23 0.07 0.00 -0.55 0.00 0.00 41.25 38.37 3kqg s ASN 273 CO 0.15 -0.69 1.63 0.50 -2.79 0.00 0.00 177.10 175.89 3kqg h LYS 274 N 8.81 1.05 -0.03 0.43 3.64 -1.97 -0.72 116.57 127.79 3kqg h LYS 274 Ca -0.27 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 58.75 3kqg h LYS 274 Cb 1.11 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3kqg h LYS 274 CO 0.87 1.05 0.01 0.28 -2.27 0.00 0.00 179.45 179.39 3kqg h VAL 275 N 0.95 1.15 0.09 2.00 2.07 -2.01 -2.25 116.25 118.25 3kqg h VAL 275 Ca 0.16 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kqg h VAL 275 Cb 0.61 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3kqg h VAL 275 CO 0.04 0.12 -0.04 -0.61 0.02 0.00 0.00 177.57 177.10 3kqg h GLN 276 N -0.13 -0.11 0.00 1.57 4.15 -1.97 -3.05 115.11 115.57 3kqg h GLN 276 Ca 0.01 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3kqg h GLN 276 Cb 0.18 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3kqg h GLN 276 CO -0.00 -0.02 0.00 0.77 -1.93 0.00 0.00 178.83 177.65 3kqg h SER 277 N -0.18 0.00 -1.00 -0.69 0.02 -1.08 -2.98 113.55 107.63 3kqg h SER 277 Ca -0.01 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.09 3kqg h SER 277 Cb 0.15 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.59 3kqg h SER 277 CO 0.02 0.00 0.62 0.00 -1.14 0.00 0.00 176.83 176.33 3kqg h ALA 278 N 2.00 1.61 -0.26 3.77 0.00 -1.28 0.17 119.26 125.27 3kqg h ALA 278 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kqg h ALA 278 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kqg h ALA 278 CO 0.00 0.08 0.00 2.89 0.00 0.00 0.00 179.25 182.22 3kqg n ARG 279 N -4.68 1.71 0.00 0.00 1.85 -1.12 -3.84 116.66 110.57 3kqg n ARG 279 Ca 0.21 -1.10 0.09 0.00 -1.00 0.00 0.00 57.85 56.05 3kqg n ARG 279 Cb 0.46 -1.30 -0.04 0.00 -1.05 0.00 0.00 32.46 30.53 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 0.36 0.00 -2.79 2.89 3.72 0.05 -4.28 117.46 117.41 3kqg n PHE 280 Ca 0.13 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 3kqg n PHE 280 Cb 0.28 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.33 3.51 0.12 1.38 0.52 -1.23 -1.61 118.94 119.29 3kqg s TRP 281 Ca 0.12 0.94 -0.31 0.00 0.02 0.00 0.00 56.10 56.87 3kqg s TRP 281 Cb 0.14 -2.37 -0.08 0.00 -1.15 0.00 0.00 33.47 30.02 3kqg s TRP 281 CO 0.56 -0.16 1.33 0.42 0.02 0.00 0.00 176.95 179.12 3kqg s ILE 282 N -2.50 3.46 -0.34 2.03 1.01 0.03 -4.37 121.20 120.53 3kqg s ILE 282 Ca 0.49 1.07 -0.42 0.00 0.00 0.00 0.00 60.65 61.80 3kqg s ILE 282 Cb -0.10 -3.69 -0.16 0.00 0.01 0.00 0.00 42.46 38.52 3kqg s ILE 282 CO 0.37 0.10 1.75 -2.65 0.00 0.00 0.00 174.94 174.50 3kqg n PRO 283 N 3.72 0.88 0.00 2.79 -0.02 -1.26 -0.19 135.00 140.92 3kqg n PRO 283 Ca 0.10 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kqg n PRO 283 Cb 0.43 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 4.37 0.45 3.87 -1.23 0.00 -1.26 -5.09 105.19 106.31 3kqg n GLY 284 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.76 3.23 0.14 1.61 0.41 0.74 -3.38 118.70 120.69 3kqg s GLU 285 Ca 0.00 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 53.67 3kqg s GLU 285 Cb 0.00 -2.90 -0.07 0.00 -1.78 0.00 0.00 34.13 29.39 3kqg s GLU 285 CO 0.00 0.56 1.10 -2.14 -0.49 0.00 0.00 175.26 174.29 3kqg s PRO 286 N -2.71 4.57 0.00 0.39 0.02 -1.26 -4.75 135.00 131.26 3kqg s PRO 286 Ca 0.33 1.69 0.25 0.00 0.02 0.00 0.00 61.00 63.29 3kqg s PRO 286 Cb -0.12 -3.31 0.48 0.00 0.02 0.00 0.00 34.50 31.57 3kqg s PRO 286 CO 0.26 0.01 1.40 0.27 -0.33 0.00 0.00 177.00 178.61 3kqg n ASN 287 N 2.82 1.77 -4.30 2.53 6.94 -1.22 -4.97 115.26 118.83 3kqg n ASN 287 Ca 0.04 -1.40 -0.32 0.00 -0.02 0.00 0.00 54.58 52.88 3kqg n ASN 287 Cb 0.47 0.19 -0.09 0.00 -2.36 0.00 0.00 39.78 37.99 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 0.06 0.33 -4.64 0.53 5.15 -1.26 -4.78 115.26 110.65 3kqg n ASN 288 Ca 0.13 -1.24 -0.48 0.00 -0.60 0.00 0.00 54.58 52.39 3kqg n ASN 288 Cb 0.43 -1.80 -0.05 0.00 -0.53 0.00 0.00 39.78 37.83 3kqg n ASN 288 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kqg n ALA 289 N -4.49 0.44 -1.11 5.20 0.00 -1.26 -0.50 120.51 118.79 3kqg n ALA 289 Ca -0.26 0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 3kqg n ALA 289 Cb 0.66 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 3kqg n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqg n GLY 290 N 3.08 0.55 3.94 0.00 0.00 -1.26 -2.42 105.19 109.08 3kqg n GLY 290 Ca 0.18 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.35 -4.45 -1.27 1.61 3.02 0.34 -4.87 115.26 109.29 3kqg n ASN 291 Ca -0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 3kqg n ASN 291 Cb 0.31 -3.57 -0.01 0.00 -0.61 0.00 0.00 39.78 35.90 3kqg n ASN 291 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kqg n ASN 292 N -2.75 0.32 -4.07 6.41 5.15 -1.02 -5.01 115.26 114.31 3kqg n ASN 292 Ca 0.05 -1.98 -0.35 0.00 -0.60 0.00 0.00 54.58 51.70 3kqg n ASN 292 Cb 0.52 -0.11 -0.11 0.00 -0.53 0.00 0.00 39.78 39.55 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 0.00 2.42 0.00 1.20 2.02 -1.26 -3.74 118.70 119.35 3kqg s GLU 293 Ca 0.21 -2.51 0.08 0.00 0.02 0.00 0.00 54.97 52.77 3kqg s GLU 293 Cb 0.24 -3.65 0.22 0.00 0.10 0.00 0.00 34.13 31.05 3kqg s GLU 293 CO -0.11 -1.15 1.16 0.72 0.02 0.00 0.00 175.26 175.90 3kqg n HIS 294 N 3.47 0.32 -4.27 1.61 8.25 -1.16 -4.55 115.22 118.89 3kqg n HIS 294 Ca 0.07 -0.47 -0.15 0.00 -0.26 0.00 0.00 57.72 56.91 3kqg n HIS 294 Cb 0.37 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 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 -3.21 1.22 0.27 0.00 0.00 -0.50 -0.95 107.32 104.15 3kqg s GLY 296 Ca 0.23 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3kqg s GLY 296 CO 0.04 -1.08 0.09 0.54 0.00 0.00 0.00 173.10 172.69 3kqg s ASN 297 N -1.34 1.41 -0.14 1.64 2.20 -0.41 -1.84 114.94 116.46 3kqg s ASN 297 Ca 0.09 -1.39 -0.14 0.00 -0.94 0.00 0.00 52.86 50.48 3kqg s ASN 297 Cb -0.09 0.13 -0.05 0.00 -2.00 0.00 0.00 41.25 39.24 3kqg s ASN 297 CO 0.02 -0.72 0.30 -0.63 -2.94 0.00 0.00 177.10 173.14 3kqg s ILE 298 N -3.67 5.28 0.00 0.54 1.01 0.15 -1.94 121.20 122.57 3kqg s ILE 298 Ca 0.37 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.60 3kqg s ILE 298 Cb 0.08 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.91 3kqg s ILE 298 CO 0.14 0.43 0.00 1.17 0.00 0.00 0.00 174.94 176.68 3kqg n LYS 299 N 3.25 0.00 -1.67 2.79 4.81 0.34 -2.21 118.16 125.48 3kqg n LYS 299 Ca -0.12 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.92 3kqg n LYS 299 Cb 0.52 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.60 3kqg n LYS 299 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kqg n ALA 300 N -1.51 0.81 -1.49 3.14 0.00 -1.09 -4.83 120.51 115.53 3kqg n ALA 300 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 3kqg n ALA 300 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.20 3kqg n ALA 300 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kqg n PRO 301 N -0.32 3.44 -3.94 0.00 -0.02 -1.26 -4.39 135.00 128.51 3kqg n PRO 301 Ca 0.09 -2.38 -0.12 0.00 -2.02 0.00 0.00 63.50 59.08 3kqg n PRO 301 Cb 0.42 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 3kqg n PRO 301 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kqg s SER 302 N 1.30 0.44 0.62 2.55 1.04 -1.26 -5.00 113.70 113.38 3kqg s SER 302 Ca 0.63 -1.30 0.39 0.00 0.48 0.00 0.00 55.95 56.14 3kqg s SER 302 Cb 0.24 0.76 2.05 0.00 0.10 0.00 0.00 66.02 69.17 3kqg s SER 302 CO -0.09 -1.51 2.25 -0.07 0.98 0.00 0.00 173.24 174.81 3kqg h LEU 303 N 2.05 0.00 -7.39 2.42 3.38 -1.91 -2.93 115.31 110.92 3kqg h LEU 303 Ca -0.30 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 56.90 3kqg h LEU 303 Cb 1.25 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.78 3kqg h LEU 303 CO 0.39 0.02 1.17 0.00 0.09 0.00 0.00 178.44 180.11 3kqg n GLN 304 N -3.27 3.57 -0.02 1.13 6.02 -1.26 -4.28 117.38 119.27 3kqg n GLN 304 Ca -0.02 -4.03 0.01 0.00 -0.01 0.00 0.00 57.00 52.94 3kqg n GLN 304 Cb 0.13 -2.84 -0.08 0.00 1.02 0.00 0.00 30.24 28.47 3kqg n GLN 304 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqg n ALA 305 N 4.12 2.14 -1.77 -1.58 0.00 -1.00 -4.13 120.51 118.28 3kqg n ALA 305 Ca 0.33 -0.44 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 3kqg n ALA 305 Cb 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.55 3.22 0.00 0.00 0.51 -0.63 -0.50 118.94 118.98 3kqg s TRP 306 Ca -0.04 1.59 0.00 0.00 -2.12 0.00 0.00 56.10 55.53 3kqg s TRP 306 Cb 0.05 -3.36 -0.00 0.00 -0.81 0.00 0.00 33.47 29.35 3kqg s TRP 306 CO 0.44 -1.09 -0.01 1.21 -0.51 0.00 0.00 176.95 177.00 3kqg s ASN 307 N -1.06 0.10 -0.01 2.95 2.47 -0.82 -0.79 114.94 117.78 3kqg s ASN 307 Ca 0.53 -0.05 -0.18 0.00 0.42 0.00 0.00 52.86 53.58 3kqg s ASN 307 Cb -0.31 -0.00 -0.06 0.00 -1.45 0.00 0.00 41.25 39.44 3kqg s ASN 307 CO 0.39 -0.01 0.50 1.51 -3.72 0.00 0.00 177.10 175.77 3kqg s ASP 308 N -0.12 6.87 0.16 -4.21 -4.77 -1.26 -1.29 116.67 112.05 3kqg s ASP 308 Ca -0.01 1.04 -0.05 0.00 -3.30 0.00 0.00 52.55 50.23 3kqg s ASP 308 Cb -0.01 -2.31 -0.03 0.00 -1.09 0.00 0.00 42.92 39.49 3kqg s ASP 308 CO -0.00 0.19 0.18 0.00 0.70 0.00 0.00 175.17 176.24 3kqg s ALA 309 N -0.51 0.50 0.14 2.11 0.00 -0.13 -4.86 121.76 119.00 3kqg s ALA 309 Ca 0.27 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 3kqg s ALA 309 Cb -0.17 0.95 -0.10 0.00 0.00 0.00 0.00 23.12 23.79 3kqg s ALA 309 CO 0.15 -0.59 1.75 -2.14 0.00 0.00 0.00 175.76 174.93 3kqg s PRO 310 N -4.03 4.15 0.55 0.00 0.02 -1.25 -2.73 135.00 131.72 3kqg s PRO 310 Ca 0.23 2.53 0.31 0.00 0.02 0.00 0.00 61.00 64.09 3kqg s PRO 310 Cb 0.05 -3.45 1.47 0.00 0.02 0.00 0.00 34.50 32.60 3kqg s PRO 310 CO 0.03 -0.78 1.88 0.00 -0.33 0.00 0.00 177.00 177.80 3kqg n ASP 312 N -4.11 0.74 -4.80 0.00 8.00 -1.26 -1.42 116.55 113.70 3kqg n ASP 312 Ca 0.16 -1.32 -0.35 0.00 0.71 0.00 0.00 54.79 53.99 3kqg n ASP 312 Cb 0.90 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.94 3kqg n ASP 312 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kqg s LYS 313 N -1.97 4.04 -0.21 -1.24 2.36 0.11 -4.79 119.74 118.04 3kqg s LYS 313 Ca 0.40 1.37 -0.09 0.00 -2.55 0.00 0.00 55.97 55.10 3kqg s LYS 313 Cb 0.20 -2.30 -0.04 0.00 -1.05 0.00 0.00 37.83 34.64 3kqg s LYS 313 CO 0.32 -0.23 0.11 0.95 1.55 0.00 0.00 175.35 178.05 3kqg s THR 314 N -1.89 5.05 0.11 3.43 -4.23 -1.26 -3.90 115.64 112.95 3kqg s THR 314 Ca 0.62 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 3kqg s THR 314 Cb -0.17 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 3kqg s THR 314 CO 0.21 0.41 0.06 -0.36 -0.54 0.00 0.00 174.62 174.40 3kqg s PHE 315 N 0.70 0.66 0.99 3.99 0.08 -0.63 -4.77 117.98 118.99 3kqg s PHE 315 Ca 0.06 -1.10 -0.12 0.00 0.12 0.00 0.00 56.93 55.89 3kqg s PHE 315 Cb -0.13 -0.38 0.15 0.00 -0.57 0.00 0.00 43.02 42.09 3kqg s PHE 315 CO 0.01 -0.50 0.88 1.28 -0.10 0.00 0.00 175.22 176.80 3kqg n LEU 316 N -0.04 1.29 -3.98 -0.37 4.77 -1.22 -0.85 117.00 116.60 3kqg n LEU 316 Ca -0.09 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3kqg n LEU 316 Cb 0.63 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 3kqg n LEU 316 CO 0.29 -2.76 -0.24 0.72 -1.33 0.00 0.00 177.39 174.06 3kqg s PHE 317 N -2.52 0.32 -0.24 -1.77 -0.12 -1.26 -0.28 117.98 112.11 3kqg s PHE 317 Ca 0.64 -0.76 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 3kqg s PHE 317 Cb -0.22 -0.22 0.03 0.00 -0.63 0.00 0.00 43.02 41.98 3kqg s PHE 317 CO 0.62 -0.42 -0.11 0.42 -0.05 0.00 0.00 175.22 175.69 3kqg s ILE 318 N -3.47 2.51 0.28 -4.49 1.01 -0.93 -1.30 121.20 114.80 3kqg s ILE 318 Ca 0.02 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.40 3kqg s ILE 318 Cb 0.04 -2.28 -0.08 0.00 0.01 0.00 0.00 42.46 40.16 3kqg s ILE 318 CO -0.09 0.22 0.64 0.00 0.00 0.00 0.00 174.94 175.71 3kqg s LYS 320 N -2.96 0.25 -0.07 0.00 2.20 0.21 -0.52 119.74 118.85 3kqg s LYS 320 Ca 0.50 -0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 55.88 3kqg s LYS 320 Cb -0.11 -0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.00 3kqg s LYS 320 CO 0.20 0.06 0.25 -0.98 -0.36 0.00 0.00 175.35 174.52 3kqg s ARG 321 N -0.15 0.39 0.49 4.03 1.70 -0.62 -0.88 118.95 123.91 3kqg s ARG 321 Ca 0.00 0.16 -0.22 0.00 -0.47 0.00 0.00 55.73 55.20 3kqg s ARG 321 Cb -0.02 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.48 3kqg s ARG 321 CO -0.00 -0.07 1.20 -2.14 -1.08 0.00 0.00 175.30 173.21 3kqg s PRO 322 N -0.32 3.54 -0.27 3.89 0.02 -1.26 -0.65 135.00 139.95 3kqg s PRO 322 Ca -0.04 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 62.58 3kqg s PRO 322 Cb -0.03 -2.30 -0.01 0.00 0.02 0.00 0.00 34.50 32.18 3kqg s PRO 322 CO 0.01 -0.75 0.78 -0.47 -0.33 0.00 0.00 177.00 176.24 3kqg s TYR 323 N -1.53 3.26 -0.14 6.54 5.04 0.95 -4.72 117.35 126.74 3kqg s TYR 323 Ca 0.67 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 56.26 3kqg s TYR 323 Cb -0.30 -3.08 0.02 0.00 0.35 0.00 0.00 41.96 38.94 3kqg s TYR 323 CO 0.36 -0.46 -0.15 0.14 -1.34 0.00 0.00 175.55 174.10 3kqg s VAL 324 N 2.83 1.61 1.07 3.14 -7.23 -1.26 -4.90 120.40 115.66 3kqg s VAL 324 Ca 0.32 -0.68 -0.13 0.00 -1.81 0.00 0.00 61.98 59.68 3kqg s VAL 324 Cb -0.15 -1.49 0.18 0.00 0.56 0.00 0.00 36.38 35.49 3kqg s VAL 324 CO 0.10 0.46 0.78 -2.65 -0.31 0.00 0.00 175.10 173.48 3kqg n PRO 325 N 4.53 -1.49 0.00 4.82 -0.02 -1.26 -5.16 135.00 136.43 3kqg n PRO 325 Ca -0.18 -0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.04 3kqg n PRO 325 Cb 0.50 -2.09 0.34 0.00 -0.02 0.00 0.00 33.50 32.24 3kqg n PRO 325 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35