#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqg h ASP 160 N 0.00 0.00 0.04 -3.46 3.32 -2.06 0.44 116.42 114.70 3kqg h ASP 160 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3kqg h ASP 160 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kqg h ASP 160 CO 0.00 0.15 -0.99 0.25 -1.72 0.00 0.00 179.24 176.93 3kqg h LEU 161 N 0.00 0.81 -0.67 1.55 5.85 -2.06 -3.03 115.31 117.76 3kqg h LEU 161 Ca -0.00 -0.77 -0.14 0.00 0.84 0.00 0.00 57.88 57.81 3kqg h LEU 161 Cb 0.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kqg h LEU 161 CO 0.02 1.49 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.84 3kqg h GLU 162 N 0.23 0.53 -0.47 1.25 5.08 -1.88 -2.47 114.58 116.85 3kqg h GLU 162 Ca -0.13 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 3kqg h GLU 162 Cb 1.67 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 3kqg h GLU 162 CO 0.19 0.86 0.15 0.87 -1.00 0.00 0.00 179.01 180.08 3kqg h LYS 163 N 0.43 0.68 -0.14 2.33 1.57 -0.99 -0.20 116.57 120.25 3kqg h LYS 163 Ca 0.03 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3kqg h LYS 163 Cb 0.93 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3kqg h LYS 163 CO 0.08 0.60 -0.12 0.00 -0.57 0.00 0.00 179.45 179.44 3kqg h ALA 164 N 1.49 0.21 0.61 3.86 0.00 -1.39 -1.87 119.26 122.16 3kqg h ALA 164 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kqg h ALA 164 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kqg h ALA 164 CO -0.01 0.06 -0.42 0.77 0.00 0.00 0.00 179.25 179.65 3kqg h SER 165 N -0.03 -1.08 0.07 0.00 0.02 -1.15 -1.35 113.55 110.03 3kqg h SER 165 Ca 0.03 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3kqg h SER 165 Cb 0.63 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 3kqg h SER 165 CO 0.03 -0.63 -0.47 0.00 -1.14 0.00 0.00 176.83 174.62 3kqg h ALA 166 N -0.73 -0.94 -0.80 3.77 0.00 -1.12 -0.06 119.26 119.39 3kqg h ALA 166 Ca -0.07 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 54.94 3kqg h ALA 166 Cb 0.81 0.87 -0.14 0.00 0.00 0.00 0.00 17.79 19.34 3kqg h ALA 166 CO 0.04 -1.06 0.06 1.25 0.00 0.00 0.00 179.25 179.55 3kqg h LEU 167 N -0.65 -0.27 0.04 0.00 5.85 -1.33 -0.16 115.31 118.79 3kqg h LEU 167 Ca -0.00 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3kqg h LEU 167 Cb 0.66 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kqg h LEU 167 CO -0.28 -0.18 -0.02 0.78 -0.34 0.00 0.00 178.44 178.40 3kqg h ASN 168 N 0.13 -0.05 -0.65 1.25 -0.26 -0.62 -1.08 115.58 114.30 3kqg h ASN 168 Ca 0.46 -0.23 0.07 0.00 -0.56 0.00 0.00 56.30 56.03 3kqg h ASN 168 Cb 0.84 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 38.07 3kqg h ASN 168 CO -0.67 0.20 0.43 0.71 -1.06 0.00 0.00 177.43 177.04 3kqg h THR 169 N -0.31 1.00 -0.30 2.81 1.35 -0.21 0.53 112.91 117.78 3kqg h THR 169 Ca -0.01 -0.22 -0.18 0.00 -0.55 0.00 0.00 66.41 65.45 3kqg h THR 169 Cb 0.28 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3kqg h THR 169 CO 0.01 0.12 -0.52 0.11 -0.25 0.00 0.00 175.52 174.98 3kqg h LYS 170 N 0.64 0.87 -0.43 4.72 1.57 -0.89 -1.61 116.57 121.44 3kqg h LYS 170 Ca 0.28 -0.53 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3kqg h LYS 170 Cb 0.30 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3kqg h LYS 170 CO -0.09 1.17 -0.14 0.82 -0.57 0.00 0.00 179.45 180.64 3kqg h ILE 171 N 0.67 1.28 -0.91 1.86 2.04 -0.34 -0.96 117.51 121.15 3kqg h ILE 171 Ca 0.02 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.66 3kqg h ILE 171 Cb 1.12 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 3kqg h ILE 171 CO 0.12 0.43 0.60 0.03 0.00 0.00 0.00 178.15 179.32 3kqg h ARG 172 N 0.67 1.10 0.15 2.37 3.08 -0.93 -1.22 114.38 119.59 3kqg h ARG 172 Ca 0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3kqg h ARG 172 Cb 0.69 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3kqg h ARG 172 CO 0.05 0.73 -0.07 0.00 -1.07 0.00 0.00 179.97 179.61 3kqg h ALA 173 N 1.47 -0.20 -0.93 0.04 0.00 -0.90 -0.01 119.26 118.74 3kqg h ALA 173 Ca 0.36 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.26 3kqg h ALA 173 Cb 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3kqg h ALA 173 CO -0.11 -0.52 0.56 -0.07 0.00 0.00 0.00 179.25 179.11 3kqg h LEU 174 N -0.38 0.81 -0.34 0.00 3.38 -0.96 0.73 115.31 118.55 3kqg h LEU 174 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kqg h LEU 174 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3kqg h LEU 174 CO 0.03 0.44 0.19 1.56 0.09 0.00 0.00 178.44 180.75 3kqg h GLN 175 N 0.90 0.48 -0.24 1.13 4.20 -0.92 0.96 115.11 121.63 3kqg h GLN 175 Ca 0.45 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.15 3kqg h GLN 175 Cb 0.44 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 3kqg h GLN 175 CO -0.26 0.40 -0.00 0.78 -0.67 0.00 0.00 178.83 179.08 3kqg h GLY 176 N 0.43 0.23 0.89 3.46 0.00 0.24 -2.31 103.07 106.01 3kqg h GLY 176 Ca 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3kqg h GLY 176 CO -0.02 -0.05 0.08 1.76 0.00 0.00 0.00 176.54 178.31 3kqg h SER 177 N 0.07 0.43 -0.80 0.19 0.02 -0.71 -1.25 113.55 111.50 3kqg h SER 177 Ca 0.11 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3kqg h SER 177 Cb 0.14 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 3kqg h SER 177 CO -0.19 0.53 0.52 -0.07 -1.14 0.00 0.00 176.83 176.49 3kqg h LEU 178 N 0.29 0.72 -0.04 5.07 4.07 -0.69 0.32 115.31 125.05 3kqg h LEU 178 Ca 0.09 0.01 -0.26 0.00 0.08 0.00 0.00 57.88 57.80 3kqg h LEU 178 Cb 0.27 -0.14 0.02 0.00 1.08 0.00 0.00 40.66 41.88 3kqg h LEU 178 CO -0.00 0.45 -1.04 -0.33 -1.08 0.00 0.00 178.44 176.44 3kqg h GLU 179 N 0.81 0.60 -0.64 1.13 5.08 -1.27 -2.40 114.58 117.89 3kqg h GLU 179 Ca 0.35 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3kqg h GLU 179 Cb 0.32 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3kqg h GLU 179 CO -0.13 1.26 0.30 -0.97 -1.00 0.00 0.00 179.01 178.47 3kqg h ASN 180 N 0.33 0.85 -0.65 1.42 -1.24 -0.42 -2.50 115.58 113.37 3kqg h ASN 180 Ca -0.12 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 3kqg h ASN 180 Cb 1.69 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.49 3kqg h ASN 180 CO 0.20 0.75 0.36 -0.03 -1.29 0.00 0.00 177.43 177.42 3kqg h MET 181 N 0.89 0.90 -0.71 6.67 4.05 -0.39 -1.17 114.93 125.17 3kqg h MET 181 Ca 0.22 -0.10 0.04 0.00 -0.28 0.00 0.00 59.70 59.58 3kqg h MET 181 Cb 0.14 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 3kqg h MET 181 CO -0.03 0.67 0.43 1.03 0.23 0.00 0.00 176.91 179.25 3kqg h SER 182 N 0.88 0.69 -0.55 1.39 0.87 -1.26 0.04 113.55 115.62 3kqg h SER 182 Ca 0.23 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3kqg h SER 182 Cb 0.03 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3kqg h SER 182 CO -0.04 0.47 0.33 0.50 -0.53 0.00 0.00 176.83 177.56 3kqg h LYS 183 N 0.83 0.65 0.00 2.24 3.64 -0.96 -2.06 116.57 120.90 3kqg h LYS 183 Ca 0.30 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3kqg h LYS 183 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3kqg h LYS 183 CO -0.14 0.43 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.91 3kqg h LEU 184 N 0.67 0.00 -0.70 5.20 3.38 -0.44 -2.29 115.31 121.13 3kqg h LEU 184 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 3kqg h LEU 184 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kqg h LEU 184 CO -0.09 0.50 -0.44 -0.07 0.09 0.00 0.00 178.44 178.43 3kqg h LEU 185 N 0.00 0.52 -0.72 1.67 3.38 -0.74 -1.75 115.31 117.67 3kqg h LEU 185 Ca -0.00 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3kqg h LEU 185 Cb 0.88 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3kqg h LEU 185 CO 0.06 0.89 0.21 0.11 0.09 0.00 0.00 178.44 179.81 3kqg h LYS 186 N 0.39 1.12 -0.36 1.13 1.57 -1.06 0.17 116.57 119.53 3kqg h LYS 186 Ca 0.03 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3kqg h LYS 186 Cb 0.93 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3kqg h LYS 186 CO 0.08 0.96 0.09 -0.09 -0.57 0.00 0.00 179.45 179.93 3kqg h ARG 187 N 1.06 0.58 -0.37 3.15 2.43 -1.28 -0.07 114.38 119.88 3kqg h ARG 187 Ca 0.23 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3kqg h ARG 187 Cb 0.32 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 3kqg h ARG 187 CO -0.01 0.62 0.03 1.96 -1.51 0.00 0.00 179.97 181.07 3kqg h GLN 188 N 0.44 0.14 -0.71 0.20 1.08 -1.04 -1.99 115.11 113.23 3kqg h GLN 188 Ca 0.11 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 3kqg h GLN 188 Cb 0.30 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 3kqg h GLN 188 CO 0.00 0.09 0.25 -0.97 -0.95 0.00 0.00 178.83 177.26 3kqg h ASN 189 N 0.14 0.99 0.30 1.46 -1.24 -0.27 0.48 115.58 117.44 3kqg h ASN 189 Ca 0.18 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 3kqg h ASN 189 Cb 0.24 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 3kqg h ASN 189 CO -0.27 0.91 -0.22 0.44 -1.29 0.00 0.00 177.43 176.99 3kqg h ASP 190 N 1.04 -0.57 -0.75 1.15 3.32 -0.57 -1.16 116.42 118.88 3kqg h ASP 190 Ca 0.24 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 3kqg h ASP 190 Cb 0.24 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3kqg h ASP 190 CO -0.01 -0.34 0.29 0.40 -1.72 0.00 0.00 179.24 177.85 3kqg h ILE 191 N -0.52 1.26 -0.47 0.35 2.04 -1.18 -3.02 117.51 115.97 3kqg h ILE 191 Ca -0.02 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 3kqg h ILE 191 Cb 0.45 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3kqg h ILE 191 CO 0.00 0.33 0.12 0.25 0.00 0.00 0.00 178.15 178.85 3kqg h LEU 192 N 1.09 0.70 -1.02 1.44 5.85 -0.70 -0.78 115.31 121.90 3kqg h LEU 192 Ca 0.25 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3kqg h LEU 192 Cb 0.23 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3kqg h LEU 192 CO -0.02 0.75 0.66 1.56 -0.34 0.00 0.00 178.44 181.05 3kqg h GLN 193 N 0.62 1.27 0.03 1.25 1.08 -1.11 0.58 115.11 118.85 3kqg h GLN 193 Ca 0.15 -0.08 -0.22 0.00 -1.45 0.00 0.00 58.65 57.05 3kqg h GLN 193 Cb 0.32 -0.29 0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3kqg h GLN 193 CO 0.00 0.84 -0.89 0.28 -0.95 0.00 0.00 178.83 178.11 3kqg h VAL 194 N 1.31 1.35 -0.54 -0.54 2.07 -1.38 -3.15 116.25 115.37 3kqg h VAL 194 Ca 0.39 -2.24 -0.05 0.00 0.82 0.00 0.00 66.70 65.62 3kqg h VAL 194 Cb -0.07 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3kqg h VAL 194 CO -0.11 0.67 0.15 0.58 0.02 0.00 0.00 177.57 178.88 3kqg h VAL 195 N 0.12 1.22 0.00 2.57 2.07 -0.85 -0.96 116.25 120.41 3kqg h VAL 195 Ca -0.12 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3kqg h VAL 195 Cb 1.59 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3kqg h VAL 195 CO 0.17 0.29 0.00 -1.20 0.02 0.00 0.00 177.57 176.85 3kqg n SER 196 N -4.29 0.00 -0.34 0.57 7.64 0.20 -2.36 113.62 115.04 3kqg n SER 196 Ca 0.04 -0.27 0.08 0.00 1.01 0.00 0.00 58.87 59.72 3kqg n SER 196 Cb 0.21 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.97 1.20 -0.69 1.43 6.02 -0.37 -4.96 117.38 119.03 3kqg n GLN 197 Ca 0.06 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 3kqg n GLN 197 Cb 0.03 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.11 0.70 3.96 1.08 0.00 -1.00 -5.04 105.19 103.78 3kqg n GLY 198 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.32 3.46 0.32 1.61 0.52 -1.17 -4.75 118.94 116.61 3kqg s TRP 199 Ca 0.00 0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.28 3kqg s TRP 199 Cb 0.00 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 3kqg s TRP 199 CO 0.00 0.35 0.33 0.15 0.02 0.00 0.00 176.95 177.80 3kqg s LYS 200 N -4.06 2.88 -0.02 4.98 1.02 0.43 -4.23 119.74 120.75 3kqg s LYS 200 Ca 0.36 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3kqg s LYS 200 Cb -0.09 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3kqg s LYS 200 CO 0.31 0.14 -0.02 -0.47 -0.92 0.00 0.00 175.35 174.39 3kqg s TYR 201 N -2.24 0.31 -0.25 3.18 5.04 -1.26 -1.39 117.35 120.73 3kqg s TYR 201 Ca 0.41 -0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.95 3kqg s TYR 201 Cb -0.07 -0.30 0.13 0.00 0.35 0.00 0.00 41.96 42.07 3kqg s TYR 201 CO 0.28 -0.07 0.49 0.12 -1.34 0.00 0.00 175.55 175.03 3kqg s PHE 202 N 0.47 -1.10 -1.02 4.97 5.36 -0.39 -5.01 117.98 121.26 3kqg s PHE 202 Ca -0.05 1.54 -0.16 0.00 -0.96 0.00 0.00 56.93 57.30 3kqg s PHE 202 Cb -0.08 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 3kqg s PHE 202 CO -0.01 -0.67 0.70 1.63 -1.46 0.00 0.00 175.22 175.41 3kqg n LYS 203 N 5.40 -1.08 -0.94 10.12 5.02 -1.26 -2.31 118.16 133.11 3kqg n LYS 203 Ca -0.06 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3kqg n LYS 203 Cb 0.50 -3.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.11 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 -1.78 0.69 2.99 0.72 0.00 -1.26 -5.02 105.19 101.53 3kqg n GLY 204 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 0.74 0.08 1.61 0.01 -0.98 -0.84 114.94 113.19 3kqg s ASN 205 Ca 0.00 -0.21 -0.09 0.00 -0.71 0.00 0.00 52.86 51.85 3kqg s ASN 205 Cb 0.00 -0.05 -0.06 0.00 0.41 0.00 0.00 41.25 41.55 3kqg s ASN 205 CO 0.00 0.01 0.39 -0.36 -1.51 0.00 0.00 177.10 175.63 3kqg s PHE 206 N -0.41 3.57 0.02 2.20 0.08 0.67 -1.26 117.98 122.86 3kqg s PHE 206 Ca -0.00 0.75 0.04 0.00 0.12 0.00 0.00 56.93 57.84 3kqg s PHE 206 Cb -0.04 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 3kqg s PHE 206 CO -0.00 0.52 -0.13 0.71 -0.10 0.00 0.00 175.22 176.22 3kqg s TYR 207 N -1.41 1.18 -0.23 0.36 2.02 -0.49 -1.04 117.35 117.75 3kqg s TYR 207 Ca 0.33 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 3kqg s TYR 207 Cb -0.14 -0.72 0.04 0.00 -0.40 0.00 0.00 41.96 40.74 3kqg s TYR 207 CO 0.18 0.01 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.58 3kqg s TYR 208 N -0.65 3.04 -0.46 2.71 5.04 -0.14 -0.43 117.35 126.47 3kqg s TYR 208 Ca 0.03 -1.89 -0.19 0.00 -2.44 0.00 0.00 57.07 52.58 3kqg s TYR 208 Cb -0.07 -1.96 0.04 0.00 0.35 0.00 0.00 41.96 40.32 3kqg s TYR 208 CO 0.01 -0.82 0.54 -0.06 -1.34 0.00 0.00 175.55 173.88 3kqg s PHE 209 N 1.22 3.11 0.83 4.97 0.08 -1.26 -0.60 117.98 126.34 3kqg s PHE 209 Ca -0.02 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3kqg s PHE 209 Cb -0.17 -3.22 0.09 0.00 -0.57 0.00 0.00 43.02 39.16 3kqg s PHE 209 CO -0.08 -0.85 1.11 -1.54 -0.10 0.00 0.00 175.22 173.76 3kqg s SER 210 N 2.18 3.90 -0.01 1.36 1.04 -0.01 -4.96 113.70 117.20 3kqg s SER 210 Ca 0.15 1.96 0.13 0.00 0.48 0.00 0.00 55.95 58.67 3kqg s SER 210 Cb -0.18 -2.54 -0.16 0.00 0.10 0.00 0.00 66.02 63.24 3kqg s SER 210 CO 0.14 -2.44 0.45 0.18 0.98 0.00 0.00 173.24 172.54 3kqg n LEU 211 N -3.79 0.39 -4.25 2.42 4.77 -1.26 -4.67 117.00 110.60 3kqg n LEU 211 Ca 0.10 -0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 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 0.10 -0.54 -0.51 -1.33 0.00 0.00 177.39 175.62 3kqg s ILE 212 N -2.46 1.80 0.35 -0.08 2.07 -1.26 -5.06 121.20 116.56 3kqg s ILE 212 Ca 0.01 -0.96 -0.20 0.00 -1.41 0.00 0.00 60.65 58.09 3kqg s ILE 212 Cb 0.09 -1.50 -0.10 0.00 0.13 0.00 0.00 42.46 41.09 3kqg s ILE 212 CO 0.53 0.51 0.86 -2.84 -1.91 0.00 0.00 174.94 172.09 3kqg s PRO 213 N -0.44 4.24 0.14 3.50 0.02 -1.26 -4.53 135.00 136.68 3kqg s PRO 213 Ca 0.06 1.01 -0.08 0.00 0.02 0.00 0.00 61.00 62.01 3kqg s PRO 213 Cb -0.10 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 31.95 3kqg s PRO 213 CO -0.00 0.13 0.23 0.15 -0.33 0.00 0.00 177.00 177.19 3kqg s LYS 214 N -2.75 1.06 0.98 5.54 1.02 0.12 -4.79 119.74 120.91 3kqg s LYS 214 Ca 0.55 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 55.25 3kqg s LYS 214 Cb -0.12 0.35 0.18 0.00 -0.52 0.00 0.00 37.83 37.71 3kqg s LYS 214 CO 0.17 -0.37 1.08 0.95 -0.92 0.00 0.00 175.35 176.27 3kqg s THR 215 N -3.96 2.35 0.10 2.17 -4.23 -1.25 -1.41 115.64 109.40 3kqg s THR 215 Ca 0.16 0.11 -0.24 0.00 -1.18 0.00 0.00 61.69 60.54 3kqg s THR 215 Cb 0.04 -2.45 -0.13 0.00 1.34 0.00 0.00 72.50 71.31 3kqg s THR 215 CO -0.02 -0.15 1.71 -0.25 -0.54 0.00 0.00 174.62 175.38 3kqg h TRP 216 N -1.89 -0.16 -0.63 3.99 7.01 -1.29 0.14 115.95 123.13 3kqg h TRP 216 Ca -0.52 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.44 3kqg h TRP 216 Cb 1.30 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 28.39 3kqg h TRP 216 CO 0.38 -0.10 0.23 -0.92 -2.79 0.00 0.00 178.44 175.24 3kqg h TYR 217 N -0.14 0.95 0.00 2.65 3.20 -1.93 -1.15 116.97 120.55 3kqg h TYR 217 Ca 0.01 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 3kqg h TYR 217 Cb 0.14 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3kqg h TYR 217 CO -0.11 0.74 -0.70 1.03 -1.64 0.00 0.00 178.16 177.48 3kqg h SER 218 N 0.91 0.00 0.04 -2.11 0.87 -1.88 -2.02 113.55 109.36 3kqg h SER 218 Ca 0.21 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3kqg h SER 218 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3kqg h SER 218 CO -0.01 0.70 -0.02 0.00 -0.53 0.00 0.00 176.83 176.97 3kqg h ALA 219 N 1.30 -0.05 -0.85 6.23 0.00 -0.17 -1.89 119.26 123.82 3kqg h ALA 219 Ca -0.01 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kqg h ALA 219 Cb 1.36 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 3kqg h ALA 219 CO 0.09 -0.38 0.50 1.49 0.00 0.00 0.00 179.25 180.95 3kqg h GLU 220 N -0.35 0.81 -0.55 0.00 4.57 -1.17 -1.71 114.58 116.17 3kqg h GLU 220 Ca -0.01 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3kqg h GLU 220 Cb 0.32 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 3kqg h GLU 220 CO 0.01 0.54 0.33 1.96 -1.18 0.00 0.00 179.01 180.66 3kqg h GLN 221 N 0.83 0.62 -0.29 1.92 4.20 -1.19 -0.96 115.11 120.24 3kqg h GLN 221 Ca 0.41 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.09 3kqg h GLN 221 Cb 0.36 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3kqg h GLN 221 CO -0.24 0.41 0.18 0.35 -0.67 0.00 0.00 178.83 178.86 3kqg h PHE 222 N 0.64 0.34 -0.09 2.96 3.57 -0.56 -2.24 116.94 121.57 3kqg h PHE 222 Ca 0.23 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3kqg h PHE 222 Cb 0.04 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3kqg h PHE 222 CO -0.07 0.21 -0.19 0.00 -2.23 0.00 0.00 178.31 176.02 3kqg h VAL 224 N -0.27 0.69 0.00 0.00 2.07 -0.92 0.55 116.25 118.37 3kqg h VAL 224 Ca 0.09 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3kqg h VAL 224 Cb 0.39 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3kqg h VAL 224 CO -0.24 0.13 -0.12 0.77 0.02 0.00 0.00 177.57 178.12 3kqg h SER 225 N 0.69 0.00 -0.80 0.57 4.64 -0.57 -0.99 113.55 117.08 3kqg h SER 225 Ca 0.56 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.45 3kqg h SER 225 Cb 0.98 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.82 3kqg h SER 225 CO -0.34 0.12 0.43 0.54 -0.87 0.00 0.00 176.83 176.71 3kqg n ARG 226 N -3.50 2.16 -3.93 4.77 5.12 0.18 -4.93 116.66 116.52 3kqg n ARG 226 Ca -0.01 -3.09 -0.30 0.00 -1.93 0.00 0.00 57.85 52.52 3kqg n ARG 226 Cb 0.27 -2.08 0.02 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 -1.13 -4.02 -0.39 0.55 5.15 -0.38 -4.95 115.26 110.10 3kqg n ASN 227 Ca 0.52 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 3kqg n ASN 227 Cb 1.43 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 36.95 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 -2.85 0.00 -4.02 1.20 3.41 -0.47 -4.85 113.62 106.04 3kqg n SER 228 Ca -0.01 -0.39 -0.08 0.00 -0.26 0.00 0.00 58.87 58.13 3kqg n SER 228 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.70 0.45 0.21 7.33 3.76 -1.09 -2.58 115.29 120.68 3kqg s HIS 229 Ca 0.00 -0.94 -0.32 0.00 -0.15 0.00 0.00 55.06 53.66 3kqg s HIS 229 Cb 0.00 -0.29 -0.15 0.00 1.11 0.00 0.00 32.58 33.25 3kqg s HIS 229 CO 0.00 -0.47 1.24 1.28 -0.85 0.00 0.00 174.74 175.94 3kqg n LEU 230 N 0.01 2.11 -4.77 0.89 4.77 -1.26 -0.47 117.00 118.29 3kqg n LEU 230 Ca -0.13 1.14 -0.39 0.00 -0.03 0.00 0.00 56.01 56.61 3kqg n LEU 230 Cb 0.62 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3kqg n LEU 230 CO 0.27 -1.02 0.95 0.28 -1.33 0.00 0.00 177.39 176.54 3kqg s THR 231 N -0.21 2.58 0.42 -5.08 -1.32 -0.12 -4.02 115.64 107.88 3kqg s THR 231 Ca 0.70 0.49 0.04 0.00 -1.21 0.00 0.00 61.69 61.71 3kqg s THR 231 Cb -0.77 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.95 3kqg s THR 231 CO 0.52 0.05 0.60 -0.94 -2.21 0.00 0.00 174.62 172.64 3kqg s SER 232 N -0.84 5.77 -0.23 8.08 1.04 -1.26 0.01 113.70 126.26 3kqg s SER 232 Ca 0.60 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 57.02 3kqg s SER 232 Cb -0.37 -1.20 0.05 0.00 0.10 0.00 0.00 66.02 64.60 3kqg s SER 232 CO 0.47 -0.69 -0.14 -0.69 0.98 0.00 0.00 173.24 173.18 3kqg s VAL 233 N -2.42 2.10 -0.63 5.02 1.01 -1.26 -4.99 120.40 119.23 3kqg s VAL 233 Ca 0.49 -1.40 0.14 0.00 0.00 0.00 0.00 61.98 61.22 3kqg s VAL 233 Cb -0.10 -2.12 -0.16 0.00 0.00 0.00 0.00 36.38 34.00 3kqg s VAL 233 CO 0.35 0.14 0.59 0.35 0.00 0.00 0.00 175.10 176.53 3kqg n THR 234 N 4.50 0.00 -3.74 3.92 -2.24 -1.26 -4.99 114.28 110.47 3kqg n THR 234 Ca -0.16 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3kqg n THR 234 Cb 0.45 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.42 -0.30 0.19 3.42 1.04 -1.26 -5.03 113.70 109.34 3kqg s SER 235 Ca 0.05 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.89 3kqg s SER 235 Cb 0.11 0.64 0.12 0.00 0.10 0.00 0.00 66.02 66.99 3kqg s SER 235 CO 0.59 -1.15 1.82 -0.33 0.98 0.00 0.00 173.24 175.14 3kqg h GLU 236 N 2.10 0.95 -0.74 4.02 5.08 -1.99 -1.32 114.58 122.68 3kqg h GLU 236 Ca -0.26 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3kqg h GLU 236 Cb 1.27 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 3kqg h GLU 236 CO 0.32 0.70 0.46 0.66 -1.00 0.00 0.00 179.01 180.15 3kqg h SER 237 N 0.94 0.75 -0.45 1.42 4.64 -1.99 0.59 113.55 119.45 3kqg h SER 237 Ca 0.24 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.46 3kqg h SER 237 Cb 0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3kqg h SER 237 CO -0.04 0.51 -0.15 -0.08 -0.87 0.00 0.00 176.83 176.20 3kqg h GLU 238 N 0.89 0.90 -0.40 4.77 4.81 -1.90 -0.93 114.58 122.71 3kqg h GLU 238 Ca 0.30 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3kqg h GLU 238 Cb 0.05 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3kqg h GLU 238 CO -0.12 1.01 0.13 0.37 -0.73 0.00 0.00 179.01 179.67 3kqg h GLN 239 N 0.74 0.28 -0.50 1.92 5.75 -0.66 0.09 115.11 122.73 3kqg h GLN 239 Ca 0.11 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3kqg h GLN 239 Cb 0.71 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 3kqg h GLN 239 CO 0.05 0.18 0.19 1.49 -2.65 0.00 0.00 178.83 178.10 3kqg h GLU 240 N 0.29 0.75 -0.95 1.69 4.81 -0.76 -0.30 114.58 120.09 3kqg h GLU 240 Ca 0.19 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3kqg h GLU 240 Cb 0.18 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3kqg h GLU 240 CO -0.20 0.67 0.62 0.35 -0.73 0.00 0.00 179.01 179.72 3kqg h PHE 241 N 0.66 1.17 0.02 0.92 3.57 -0.87 -1.42 116.94 121.00 3kqg h PHE 241 Ca 0.16 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3kqg h PHE 241 Cb 0.21 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3kqg h PHE 241 CO 0.01 0.69 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.69 3kqg h LEU 242 N 1.22 -0.02 -0.36 0.59 3.38 -0.51 -1.39 115.31 118.21 3kqg h LEU 242 Ca 0.37 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3kqg h LEU 242 Cb -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kqg h LEU 242 CO -0.11 0.39 -0.36 0.10 0.09 0.00 0.00 178.44 178.55 3kqg h TYR 243 N -0.44 1.06 -0.69 1.13 -0.00 -1.03 -0.07 116.97 116.93 3kqg h TYR 243 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 58.73 58.35 3kqg h TYR 243 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 36.73 36.90 3kqg h TYR 243 CO 0.07 1.13 0.18 0.87 -0.00 0.00 0.00 178.16 180.41 3kqg h LYS 244 N 0.69 1.08 0.00 0.10 1.57 -1.34 -2.56 116.57 116.11 3kqg h LYS 244 Ca 0.06 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3kqg h LYS 244 Cb 0.95 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kqg h LYS 244 CO 0.09 0.94 -0.15 1.15 -0.57 0.00 0.00 179.45 180.91 3kqg h THR 245 N 1.03 0.29 0.00 -0.16 2.02 -1.10 -2.87 112.91 112.11 3kqg h THR 245 Ca 0.22 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3kqg h THR 245 Cb 0.33 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3kqg h THR 245 CO -0.00 0.15 -0.01 0.00 0.37 0.00 0.00 175.52 176.03 3kqg h ALA 246 N 1.85 1.25 -1.05 6.16 0.00 -0.57 -3.46 119.26 123.44 3kqg h ALA 246 Ca -0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 3kqg h ALA 246 Cb 0.97 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 3kqg h ALA 246 CO 0.02 0.02 -0.36 0.41 0.00 0.00 0.00 179.25 179.33 3kqg n GLY 247 N -1.10 1.64 0.65 0.00 0.00 -1.09 -1.35 105.19 103.94 3kqg n GLY 247 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.69 0.63 3.90 -0.02 0.00 -1.26 -5.06 105.19 102.69 3kqg n GLY 248 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 3.77 -0.18 0.99 1.43 -0.46 -4.99 118.68 119.25 3kqg s LEU 249 Ca 0.00 0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 3kqg s LEU 249 Cb 0.00 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 3kqg s LEU 249 CO 0.00 -0.46 0.39 -0.63 0.23 0.00 0.00 176.35 175.88 3kqg s ILE 250 N -2.53 5.22 -0.04 -0.59 1.01 -1.26 -4.72 121.20 118.29 3kqg s ILE 250 Ca 0.47 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.87 3kqg s ILE 250 Cb -0.10 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3kqg s ILE 250 CO 0.39 0.29 -0.12 -0.31 0.00 0.00 0.00 174.94 175.19 3kqg s TYR 251 N 1.00 1.30 0.47 3.97 2.02 -0.79 -3.51 117.35 121.82 3kqg s TYR 251 Ca 0.20 -0.38 -0.24 0.00 -0.37 0.00 0.00 57.07 56.28 3kqg s TYR 251 Cb -0.14 -0.92 -0.07 0.00 -0.40 0.00 0.00 41.96 40.43 3kqg s TYR 251 CO 0.07 -0.16 1.39 -1.58 -1.57 0.00 0.00 175.55 173.70 3kqg s TRP 252 N 0.28 2.45 0.05 2.71 0.23 0.10 0.38 118.94 125.14 3kqg s TRP 252 Ca -0.06 1.31 0.00 0.00 -2.03 0.00 0.00 56.10 55.33 3kqg s TRP 252 Cb -0.11 -3.85 -0.00 0.00 0.03 0.00 0.00 33.47 29.53 3kqg s TRP 252 CO 0.02 -2.82 0.01 0.44 0.96 0.00 0.00 176.95 175.56 3kqg n ILE 253 N -0.41 0.00 1.79 2.03 -5.35 -0.79 -1.86 119.36 114.76 3kqg n ILE 253 Ca 0.07 -0.29 0.01 0.00 -0.27 0.00 0.00 62.75 62.27 3kqg n ILE 253 Cb 0.43 0.09 0.06 0.00 -1.74 0.00 0.00 39.64 38.49 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 2.58 -0.90 3.70 3.28 0.00 0.10 -4.65 105.19 109.31 3kqg n GLY 254 Ca -0.01 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.08 4.34 -0.10 0.99 1.43 -1.26 -1.37 118.68 121.64 3kqg s LEU 255 Ca 0.03 2.20 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 3kqg s LEU 255 Cb 0.01 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3kqg s LEU 255 CO 0.03 -0.68 0.26 0.28 0.23 0.00 0.00 176.35 176.47 3kqg s THR 256 N 1.82 -0.02 -0.12 5.49 -1.32 -0.37 -1.83 115.64 119.29 3kqg s THR 256 Ca 0.64 0.06 -0.02 0.00 -1.21 0.00 0.00 61.69 61.15 3kqg s THR 256 Cb -0.34 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 70.24 3kqg s THR 256 CO 0.28 0.02 -0.04 -0.75 -2.21 0.00 0.00 174.62 171.93 3kqg s LYS 257 N 0.60 3.36 -1.09 7.08 2.20 -0.52 -0.19 119.74 131.18 3kqg s LYS 257 Ca -0.04 -0.50 -0.21 0.00 -0.36 0.00 0.00 55.97 54.86 3kqg s LYS 257 Cb -0.05 -2.83 -0.07 0.00 -1.51 0.00 0.00 37.83 33.37 3kqg s LYS 257 CO -0.03 0.41 1.94 0.00 -0.36 0.00 0.00 175.35 177.31 3kqg n ALA 258 N 3.01 3.14 -0.88 3.13 0.00 -0.92 -4.89 120.51 123.11 3kqg n ALA 258 Ca -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3kqg n ALA 258 Cb 0.53 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.41 3kqg n ALA 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqg n GLY 259 N 5.04 0.25 3.76 0.00 0.00 -1.26 -2.78 105.19 110.20 3kqg n GLY 259 Ca 0.48 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.66 2.69 -0.49 1.61 0.00 -1.26 -2.10 117.12 116.91 3kqg n MET 260 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 57.70 58.65 3kqg n MET 260 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 33.22 30.52 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 1.16 0.00 -1.41 0.03 1.02 -1.26 -4.94 120.64 115.24 3kqg n GLU 261 Ca 0.04 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 3kqg n GLU 261 Cb 0.38 -4.29 0.08 0.00 -0.02 0.00 0.00 31.44 27.59 3kqg n GLU 261 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kqg s GLY 262 N -2.00 1.84 0.74 0.62 0.00 -0.89 -5.02 107.32 102.60 3kqg s GLY 262 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 3kqg s GLY 262 CO 0.00 0.72 1.10 0.99 0.00 0.00 0.00 173.10 175.91 3kqg s ASP 263 N -3.10 5.11 0.11 1.64 1.01 -1.26 -4.44 116.67 115.73 3kqg s ASP 263 Ca 0.63 1.17 -0.20 0.00 0.71 0.00 0.00 52.55 54.86 3kqg s ASP 263 Cb -0.18 -1.93 -0.07 0.00 1.01 0.00 0.00 42.92 41.75 3kqg s ASP 263 CO 0.51 -1.56 0.61 0.26 0.21 0.00 0.00 175.17 175.20 3kqg s TRP 264 N -3.31 3.79 0.22 4.23 0.52 -1.26 -2.17 118.94 120.96 3kqg s TRP 264 Ca 0.59 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.97 3kqg s TRP 264 Cb -0.12 -2.54 -0.02 0.00 -1.15 0.00 0.00 33.47 29.64 3kqg s TRP 264 CO 0.52 0.54 0.28 -1.54 0.02 0.00 0.00 176.95 176.78 3kqg s SER 265 N -1.21 0.05 -0.17 2.95 1.04 0.73 -4.81 113.70 112.28 3kqg s SER 265 Ca 0.32 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.47 3kqg s SER 265 Cb -0.19 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 3kqg s SER 265 CO 0.20 -0.97 0.14 0.26 0.98 0.00 0.00 173.24 173.85 3kqg s TRP 266 N -4.10 3.49 0.09 5.02 0.52 -1.26 -1.24 118.94 121.46 3kqg s TRP 266 Ca 0.32 0.41 0.33 0.00 0.02 0.00 0.00 56.10 57.18 3kqg s TRP 266 Cb 0.04 -2.08 1.52 0.00 -1.15 0.00 0.00 33.47 31.81 3kqg s TRP 266 CO 0.11 0.47 1.99 -0.24 0.02 0.00 0.00 176.95 179.30 3kqg h VAL 267 N 4.40 0.00 -0.54 4.03 3.04 -1.52 -0.85 116.25 124.81 3kqg h VAL 267 Ca -0.47 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3kqg h VAL 267 Cb 1.18 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3kqg h VAL 267 CO 0.69 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.35 3kqg n ASP 268 N -2.85 3.01 0.00 3.17 5.68 -1.26 -4.92 116.55 119.38 3kqg n ASP 268 Ca -0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 3kqg n ASP 268 Cb 0.21 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 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 1.06 -0.59 -4.66 -1.12 8.00 -0.32 -4.99 116.55 113.93 3kqg n ASP 269 Ca 0.18 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.22 3kqg n ASP 269 Cb 0.49 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 3kqg n ASP 269 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3kqg n THR 270 N -2.14 0.45 -1.89 -3.53 -1.04 -1.26 -4.89 114.28 99.98 3kqg n THR 270 Ca 0.00 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 3kqg n THR 270 Cb 0.01 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.11 3kqg n THR 270 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3kqg s PRO 271 N 0.24 4.19 -0.36 -2.82 0.02 -1.26 -4.04 135.00 130.96 3kqg s PRO 271 Ca 0.75 2.46 -0.23 0.00 0.02 0.00 0.00 61.00 64.00 3kqg s PRO 271 Cb -0.70 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 30.80 3kqg s PRO 271 CO 0.44 -0.47 0.78 0.12 -0.33 0.00 0.00 177.00 177.54 3kqg s PHE 272 N -0.66 3.12 -0.78 6.54 5.36 -1.26 -4.96 117.98 125.35 3kqg s PHE 272 Ca 0.56 0.57 -0.23 0.00 -0.96 0.00 0.00 56.93 56.86 3kqg s PHE 272 Cb -0.45 -3.37 0.06 0.00 -0.34 0.00 0.00 43.02 38.92 3kqg s PHE 272 CO 0.54 -0.71 1.15 1.21 -1.46 0.00 0.00 175.22 175.95 3kqg s ASN 273 N 1.82 6.29 0.36 6.13 3.84 -1.26 -4.87 114.94 127.23 3kqg s ASN 273 Ca 0.31 -1.06 0.07 0.00 0.21 0.00 0.00 52.86 52.39 3kqg s ASN 273 Cb -0.13 -2.48 0.77 0.00 -0.55 0.00 0.00 41.25 38.86 3kqg s ASN 273 CO 0.16 -1.51 1.92 0.50 -2.79 0.00 0.00 177.10 175.38 3kqg h LYS 274 N 9.63 0.71 0.30 0.43 3.64 -1.97 0.13 116.57 129.45 3kqg h LYS 274 Ca -0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3kqg h LYS 274 Cb 1.05 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3kqg h LYS 274 CO 1.24 0.47 -0.14 0.28 -2.27 0.00 0.00 179.45 179.02 3kqg h VAL 275 N 0.74 0.00 -0.51 2.00 2.07 -2.02 -3.15 116.25 115.38 3kqg h VAL 275 Ca 0.38 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.83 3kqg h VAL 275 Cb 0.47 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 3kqg h VAL 275 CO -0.15 0.00 -0.08 -0.61 0.02 0.00 0.00 177.57 176.76 3kqg h GLN 276 N -0.57 0.04 -0.76 1.57 4.15 -1.95 -2.18 115.11 115.41 3kqg h GLN 276 Ca -0.04 -0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.58 3kqg h GLN 276 Cb 0.31 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 3kqg h GLN 276 CO 0.07 0.03 0.54 0.77 -1.93 0.00 0.00 178.83 178.30 3kqg h SER 277 N 0.04 0.12 -1.05 -0.69 0.02 -0.82 -1.90 113.55 109.28 3kqg h SER 277 Ca 0.25 0.01 0.33 0.00 -0.84 0.00 0.00 61.79 61.55 3kqg h SER 277 Cb 0.39 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 62.78 3kqg h SER 277 CO -0.49 0.05 0.62 0.00 -1.14 0.00 0.00 176.83 175.87 3kqg h ALA 278 N 1.63 2.09 -0.52 3.77 0.00 -1.34 0.97 119.26 125.86 3kqg h ALA 278 Ca 0.37 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3kqg h ALA 278 Cb 1.29 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3kqg h ALA 278 CO -0.05 -0.69 0.00 2.89 0.00 0.00 0.00 179.25 181.40 3kqg n ARG 279 N -4.97 2.29 -0.00 0.00 1.85 -0.71 -3.77 116.66 111.34 3kqg n ARG 279 Ca 0.32 -1.91 0.06 0.00 -1.00 0.00 0.00 57.85 55.31 3kqg n ARG 279 Cb 1.04 -1.44 -0.08 0.00 -1.05 0.00 0.00 32.46 30.94 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 1.02 0.00 -2.65 2.89 3.72 0.33 -4.02 117.46 118.75 3kqg n PHE 280 Ca 0.18 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.22 3kqg n PHE 280 Cb 0.46 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.39 3.36 0.48 1.38 0.52 -1.19 -0.76 118.94 120.34 3kqg s TRP 281 Ca 0.01 1.67 -0.24 0.00 0.02 0.00 0.00 56.10 57.55 3kqg s TRP 281 Cb 0.08 -3.02 -0.08 0.00 -1.15 0.00 0.00 33.47 29.30 3kqg s TRP 281 CO 0.47 -0.34 1.39 -0.89 0.02 0.00 0.00 176.95 177.59 3kqg n ILE 282 N -0.07 3.07 -1.68 2.03 5.41 -0.34 -4.34 119.36 123.43 3kqg n ILE 282 Ca 0.05 -0.50 -0.49 0.00 1.00 0.00 0.00 62.75 62.81 3kqg n ILE 282 Cb 0.51 -1.75 -0.05 0.00 -0.71 0.00 0.00 39.64 37.64 3kqg n ILE 282 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3kqg n PRO 283 N -0.40 2.10 0.00 0.38 -0.02 -1.26 -1.19 135.00 134.62 3kqg n PRO 283 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3kqg n PRO 283 Cb 0.42 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.31 3.00 3.91 -1.23 0.00 -1.26 -5.07 105.19 108.84 3kqg n GLY 284 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.65 3.60 0.19 1.61 0.41 -0.33 -3.82 118.70 119.71 3kqg s GLU 285 Ca 0.00 -0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.20 3kqg s GLU 285 Cb 0.00 -2.65 -0.08 0.00 -1.78 0.00 0.00 34.13 29.62 3kqg s GLU 285 CO 0.00 0.20 1.19 -2.14 -0.49 0.00 0.00 175.26 174.02 3kqg s PRO 286 N -3.69 4.50 0.00 0.39 0.02 -1.26 -4.71 135.00 130.25 3kqg s PRO 286 Ca 0.43 1.86 0.07 0.00 0.02 0.00 0.00 61.00 63.39 3kqg s PRO 286 Cb -0.11 -3.24 -0.07 0.00 0.02 0.00 0.00 34.50 31.10 3kqg s PRO 286 CO 0.31 -0.07 0.34 0.27 -0.33 0.00 0.00 177.00 177.52 3kqg n ASN 287 N 2.48 0.43 -4.01 2.53 6.94 -1.25 -5.03 115.26 117.36 3kqg n ASN 287 Ca 0.04 -0.72 -0.28 0.00 -0.02 0.00 0.00 54.58 53.60 3kqg n ASN 287 Cb 0.45 0.94 -0.03 0.00 -2.36 0.00 0.00 39.78 38.78 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 -1.08 -0.75 -4.59 0.53 5.15 -1.26 -4.79 115.26 108.47 3kqg n ASN 288 Ca 0.02 -1.08 -0.42 0.00 -0.60 0.00 0.00 54.58 52.50 3kqg n ASN 288 Cb 0.12 -2.72 -0.03 0.00 -0.53 0.00 0.00 39.78 36.62 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 -3.97 2.55 0.00 5.20 0.00 -1.26 -1.05 121.76 123.23 3kqg s ALA 289 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3kqg s ALA 289 Cb -0.03 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.97 3kqg s ALA 289 CO 0.91 -3.08 0.00 0.41 0.00 0.00 0.00 175.76 174.01 3kqg n GLY 290 N 5.74 0.85 2.70 0.00 0.00 -1.26 -4.00 105.19 109.22 3kqg n GLY 290 Ca 0.29 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 0.09 -3.71 -0.00 1.61 5.03 -0.22 -4.77 115.26 113.29 3kqg n ASN 291 Ca 0.00 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.50 3kqg n ASN 291 Cb 0.00 -3.13 -0.01 0.00 -1.02 0.00 0.00 39.78 35.61 3kqg n ASN 291 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3kqg n ASN 292 N -1.93 4.67 -4.48 6.41 5.15 -1.26 -4.94 115.26 118.88 3kqg n ASN 292 Ca -0.10 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.45 3kqg n ASN 292 Cb 0.59 0.92 -0.03 0.00 -0.53 0.00 0.00 39.78 40.72 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 -2.08 3.48 -0.19 1.20 2.02 -1.26 -4.32 118.70 117.54 3kqg s GLU 293 Ca -0.01 -1.36 0.16 0.00 0.02 0.00 0.00 54.97 53.78 3kqg s GLU 293 Cb 0.01 -4.83 0.61 0.00 0.10 0.00 0.00 34.13 30.02 3kqg s GLU 293 CO 0.06 -1.89 1.52 0.72 0.02 0.00 0.00 175.26 175.69 3kqg n HIS 294 N 7.42 1.28 -3.96 1.61 8.25 -1.17 -4.59 115.22 124.05 3kqg n HIS 294 Ca 0.19 -0.81 -0.08 0.00 -0.26 0.00 0.00 57.72 56.76 3kqg n HIS 294 Cb 0.49 -0.36 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.70 1.38 0.06 0.00 0.00 -0.76 -0.56 107.32 104.74 3kqg s GLY 296 Ca 0.03 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3kqg s GLY 296 CO -0.09 -1.17 -0.05 0.54 0.00 0.00 0.00 173.10 172.33 3kqg s ASN 297 N -1.36 0.76 -0.11 1.64 2.20 -0.28 -1.89 114.94 115.90 3kqg s ASN 297 Ca 0.11 -0.87 -0.27 0.00 -0.94 0.00 0.00 52.86 50.89 3kqg s ASN 297 Cb -0.10 0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.26 3kqg s ASN 297 CO 0.03 -0.45 0.89 -0.63 -2.94 0.00 0.00 177.10 173.99 3kqg s ILE 298 N -3.12 4.87 0.18 0.54 1.01 0.16 -1.37 121.20 123.47 3kqg s ILE 298 Ca 0.03 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.48 3kqg s ILE 298 Cb 0.02 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3kqg s ILE 298 CO -0.05 0.07 0.00 1.17 0.00 0.00 0.00 174.94 176.13 3kqg n LYS 299 N 4.75 0.00 -3.02 2.79 4.81 -0.09 -1.89 118.16 125.51 3kqg n LYS 299 Ca 0.05 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.11 3kqg n LYS 299 Cb 0.49 -0.30 -0.06 0.00 0.02 0.00 0.00 35.03 35.19 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 3.43 -1.17 3.14 0.00 -1.05 -4.75 121.76 119.37 3kqg s ALA 300 Ca 0.00 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 3kqg s ALA 300 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.14 3kqg s ALA 300 CO 0.00 0.30 2.32 -2.30 0.00 0.00 0.00 175.76 176.08 3kqg n PRO 301 N 1.30 2.53 -3.85 0.00 -0.02 -1.26 -4.46 135.00 129.25 3kqg n PRO 301 Ca -0.05 -1.94 -0.07 0.00 -2.02 0.00 0.00 63.50 59.43 3kqg n PRO 301 Cb 0.49 -2.79 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 3kqg n PRO 301 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kqg s SER 302 N 3.36 -0.25 0.38 2.55 0.15 -1.26 -5.01 113.70 113.63 3kqg s SER 302 Ca 0.52 -0.60 0.07 0.00 0.70 0.00 0.00 55.95 56.65 3kqg s SER 302 Cb 0.14 0.71 0.77 0.00 -1.71 0.00 0.00 66.02 65.93 3kqg s SER 302 CO -0.02 -1.32 1.97 -0.07 1.20 0.00 0.00 173.24 175.00 3kqg h LEU 303 N 2.00 0.41 -7.84 3.45 3.38 -1.91 -3.19 115.31 111.61 3kqg h LEU 303 Ca -0.19 -0.05 -0.70 0.00 0.09 0.00 0.00 57.88 57.03 3kqg h LEU 303 Cb 1.25 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 3kqg h LEU 303 CO 0.23 0.41 1.57 -1.10 0.09 0.00 0.00 178.44 179.65 3kqg s GLN 304 N -5.13 3.93 -0.02 1.13 -0.21 -1.26 -4.30 119.66 113.81 3kqg s GLN 304 Ca -0.07 -2.12 0.06 0.00 0.02 0.00 0.00 55.36 53.25 3kqg s GLN 304 Cb 0.16 -5.23 -0.08 0.00 1.00 0.00 0.00 33.01 28.86 3kqg s GLN 304 CO 0.74 -1.98 0.10 0.00 -2.12 0.00 0.00 175.29 172.04 3kqg n ALA 305 N 7.02 2.13 -1.95 6.09 0.00 0.06 -4.01 120.51 129.85 3kqg n ALA 305 Ca 0.38 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 3kqg n ALA 305 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.34 3.65 0.01 0.00 0.51 -0.04 -0.91 118.94 119.81 3kqg s TRP 306 Ca -0.02 1.68 0.06 0.00 -2.12 0.00 0.00 56.10 55.70 3kqg s TRP 306 Cb 0.03 -3.23 -0.02 0.00 -0.81 0.00 0.00 33.47 29.45 3kqg s TRP 306 CO 0.24 -0.40 -0.19 1.21 -0.51 0.00 0.00 176.95 177.30 3kqg s ASN 307 N -0.45 2.21 -0.04 2.95 2.47 -0.47 -1.20 114.94 120.41 3kqg s ASN 307 Ca 0.47 -0.40 -0.16 0.00 0.42 0.00 0.00 52.86 53.19 3kqg s ASN 307 Cb -0.29 -0.22 -0.05 0.00 -1.45 0.00 0.00 41.25 39.23 3kqg s ASN 307 CO 0.36 0.19 0.42 1.51 -3.72 0.00 0.00 177.10 175.86 3kqg s ASP 308 N -0.70 6.75 0.07 -4.21 -4.77 -1.26 -1.12 116.67 111.43 3kqg s ASP 308 Ca 0.07 0.90 -0.04 0.00 -3.30 0.00 0.00 52.55 50.17 3kqg s ASP 308 Cb -0.08 -2.26 -0.02 0.00 -1.09 0.00 0.00 42.92 39.47 3kqg s ASP 308 CO 0.00 0.22 0.07 0.00 0.70 0.00 0.00 175.17 176.16 3kqg s ALA 309 N -0.51 0.22 0.27 2.11 0.00 0.27 -4.79 121.76 119.34 3kqg s ALA 309 Ca 0.24 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 3kqg s ALA 309 Cb -0.16 0.39 -0.10 0.00 0.00 0.00 0.00 23.12 23.25 3kqg s ALA 309 CO 0.12 -0.44 1.47 -2.14 0.00 0.00 0.00 175.76 174.77 3kqg s PRO 310 N -3.90 4.23 0.34 0.00 0.02 -1.26 -2.49 135.00 131.94 3kqg s PRO 310 Ca 0.07 2.38 0.25 0.00 0.02 0.00 0.00 61.00 63.72 3kqg s PRO 310 Cb 0.07 -3.08 1.18 0.00 0.02 0.00 0.00 34.50 32.69 3kqg s PRO 310 CO -0.10 -0.46 1.77 0.00 -0.33 0.00 0.00 177.00 177.88 3kqg n ASP 312 N -2.39 1.49 -4.76 0.00 5.75 -1.26 -1.20 116.55 114.17 3kqg n ASP 312 Ca 0.01 -1.30 -0.38 0.00 -0.01 0.00 0.00 54.79 53.11 3kqg n ASP 312 Cb 0.17 0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.36 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 -2.25 3.50 -0.29 0.11 -0.14 -0.75 -4.76 119.74 115.16 3kqg s LYS 313 Ca 0.30 1.96 -0.10 0.00 -1.36 0.00 0.00 55.97 56.77 3kqg s LYS 313 Cb 0.20 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 3kqg s LYS 313 CO 0.43 -0.82 0.15 0.95 -0.76 0.00 0.00 175.35 175.30 3kqg s THR 314 N -1.45 4.86 0.25 2.17 -4.23 -1.26 -3.91 115.64 112.06 3kqg s THR 314 Ca 0.67 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 3kqg s THR 314 Cb -0.33 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 3kqg s THR 314 CO 0.40 0.20 0.01 -0.36 -0.54 0.00 0.00 174.62 174.33 3kqg s PHE 315 N 1.68 1.62 0.88 3.99 0.08 -0.50 -4.71 117.98 121.02 3kqg s PHE 315 Ca 0.06 -0.93 -0.11 0.00 0.12 0.00 0.00 56.93 56.07 3kqg s PHE 315 Cb -0.16 -0.96 0.12 0.00 -0.57 0.00 0.00 43.02 41.45 3kqg s PHE 315 CO 0.08 -0.04 1.10 -0.51 -0.10 0.00 0.00 175.22 175.75 3kqg s LEU 316 N -3.33 2.59 0.08 -0.37 1.43 -1.23 0.11 118.68 117.96 3kqg s LEU 316 Ca 0.30 1.81 -0.04 0.00 -1.03 0.00 0.00 54.13 55.18 3kqg s LEU 316 Cb 0.06 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 3kqg s LEU 316 CO 0.10 -2.68 0.07 0.72 0.23 0.00 0.00 176.35 174.78 3kqg s PHE 317 N -2.80 0.44 -0.21 0.29 -0.12 -1.26 0.01 117.98 114.32 3kqg s PHE 317 Ca 0.64 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 3kqg s PHE 317 Cb -0.20 -0.28 0.03 0.00 -0.63 0.00 0.00 43.02 41.95 3kqg s PHE 317 CO 0.58 -0.47 -0.15 0.42 -0.05 0.00 0.00 175.22 175.54 3kqg s ILE 318 N -3.92 2.19 0.38 -4.49 1.01 -0.78 -0.83 121.20 114.77 3kqg s ILE 318 Ca 0.09 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 3kqg s ILE 318 Cb 0.07 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3kqg s ILE 318 CO -0.08 0.32 0.66 0.00 0.00 0.00 0.00 174.94 175.84 3kqg s LYS 320 N -4.16 0.24 -0.07 0.00 2.20 0.38 -0.96 119.74 117.37 3kqg s LYS 320 Ca 0.45 0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 56.37 3kqg s LYS 320 Cb -0.10 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.25 3kqg s LYS 320 CO 0.36 -0.09 0.28 -0.98 -0.36 0.00 0.00 175.35 174.56 3kqg s ARG 321 N 0.65 0.45 0.34 4.03 1.70 -0.20 -2.66 118.95 123.25 3kqg s ARG 321 Ca -0.04 0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 55.08 3kqg s ARG 321 Cb -0.06 0.21 -0.10 0.00 -0.57 0.00 0.00 34.95 34.43 3kqg s ARG 321 CO -0.04 -0.09 1.38 -2.14 -1.08 0.00 0.00 175.30 173.33 3kqg s PRO 322 N -0.43 4.27 -0.35 3.89 0.02 -1.26 -0.23 135.00 140.91 3kqg s PRO 322 Ca -0.05 2.33 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 3kqg s PRO 322 Cb -0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3kqg s PRO 322 CO 0.02 -0.32 1.35 -0.47 -0.33 0.00 0.00 177.00 177.24 3kqg s TYR 323 N -1.00 2.57 -0.31 6.54 5.04 -0.02 -4.73 117.35 125.43 3kqg s TYR 323 Ca 0.51 0.78 -0.04 0.00 -2.44 0.00 0.00 57.07 55.88 3kqg s TYR 323 Cb -0.42 -4.08 0.04 0.00 0.35 0.00 0.00 41.96 37.85 3kqg s TYR 323 CO 0.55 -1.83 0.05 0.54 -1.34 0.00 0.00 175.55 173.51 3kqg s VAL 324 N 4.80 3.39 0.38 3.14 0.11 -1.26 -4.89 120.40 126.06 3kqg s VAL 324 Ca 0.58 -1.21 -0.26 0.00 -2.93 0.00 0.00 61.98 58.17 3kqg s VAL 324 Cb -0.15 -2.91 -0.11 0.00 -1.53 0.00 0.00 36.38 31.68 3kqg s VAL 324 CO 0.27 -0.10 1.16 -2.65 -3.33 0.00 0.00 175.10 170.44 3kqg n PRO 325 N 4.72 1.72 0.00 1.54 -0.02 -1.26 -4.89 135.00 136.81 3kqg n PRO 325 Ca -0.13 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3kqg n PRO 325 Cb 0.44 -2.18 0.57 0.00 -0.02 0.00 0.00 33.50 32.31 3kqg n PRO 325 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kqg n SER 326 N 0.60 0.00 0.00 2.55 3.41 -1.26 -5.19 113.62 113.73 3kqg n SER 326 Ca 0.07 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3kqg n SER 326 Cb 0.37 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3kqg n SER 326 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26