#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kj1 s ASP 172 N 0.00 2.71 0.25 -3.46 -1.08 -1.26 -5.01 116.67 108.82 3kj1 s ASP 172 Ca 0.00 -2.43 -0.02 0.00 -0.52 0.00 0.00 52.55 49.58 3kj1 s ASP 172 Cb 0.00 -0.47 0.30 0.00 -1.46 0.00 0.00 42.92 41.29 3kj1 s ASP 172 CO 0.00 -0.27 1.72 -0.08 0.52 0.00 0.00 175.17 177.06 3kj1 h GLU 173 N 6.68 0.78 -0.56 4.34 4.57 -2.05 -0.71 114.58 127.63 3kj1 h GLU 173 Ca 0.10 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3kj1 h GLU 173 Cb 0.95 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 3kj1 h GLU 173 CO 0.31 0.83 0.20 1.25 -1.18 0.00 0.00 179.01 180.42 3kj1 h LEU 174 N 0.71 0.79 -0.09 1.64 5.85 -1.99 0.15 115.31 122.37 3kj1 h LEU 174 Ca 0.13 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kj1 h LEU 174 Cb 0.53 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3kj1 h LEU 174 CO 0.03 0.76 0.01 0.22 -0.34 0.00 0.00 178.44 179.12 3kj1 h TYR 175 N 0.77 0.17 -0.13 1.25 3.20 -1.91 -0.83 116.97 119.48 3kj1 h TYR 175 Ca 0.18 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3kj1 h TYR 175 Cb 0.23 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3kj1 h TYR 175 CO 0.01 0.38 -0.13 -0.09 -1.64 0.00 0.00 178.16 176.69 3kj1 h ARG 176 N -0.09 -0.14 -0.35 1.82 2.43 -0.87 -0.33 114.38 116.85 3kj1 h ARG 176 Ca 0.03 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3kj1 h ARG 176 Cb 0.30 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3kj1 h ARG 176 CO 0.00 -0.10 0.18 0.37 -1.51 0.00 0.00 179.97 178.92 3kj1 h GLN 177 N -0.15 0.36 -0.59 0.20 4.15 -0.69 -1.39 115.11 117.01 3kj1 h GLN 177 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3kj1 h GLN 177 Cb 0.28 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 3kj1 h GLN 177 CO -0.22 0.24 0.34 0.77 -1.93 0.00 0.00 178.83 178.03 3kj1 h SER 178 N 0.37 0.71 -0.33 -0.69 0.02 -0.86 -1.07 113.55 111.71 3kj1 h SER 178 Ca 0.14 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3kj1 h SER 178 Cb 0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3kj1 h SER 178 CO -0.09 0.57 -0.08 0.25 -1.14 0.00 0.00 176.83 176.34 3kj1 h LEU 179 N 0.79 0.72 -0.11 5.07 5.85 -0.91 -1.37 115.31 125.34 3kj1 h LEU 179 Ca 0.21 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3kj1 h LEU 179 Cb -0.00 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3kj1 h LEU 179 CO -0.04 0.84 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.81 3kj1 h GLU 180 N 0.67 0.20 0.25 1.25 4.81 -0.80 -0.08 114.58 120.88 3kj1 h GLU 180 Ca 0.12 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kj1 h GLU 180 Cb 0.53 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3kj1 h GLU 180 CO 0.03 0.46 -0.18 0.82 -0.73 0.00 0.00 179.01 179.41 3kj1 h ILE 181 N -0.08 0.61 -0.62 2.32 2.04 -1.10 -0.90 117.51 119.80 3kj1 h ILE 181 Ca 0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3kj1 h ILE 181 Cb 0.37 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3kj1 h ILE 181 CO 0.01 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.65 3kj1 h ILE 182 N -0.43 1.26 -0.41 -0.67 2.04 -1.26 -1.91 117.51 116.14 3kj1 h ILE 182 Ca -0.02 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 3kj1 h ILE 182 Cb 0.37 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3kj1 h ILE 182 CO -0.00 0.38 0.09 0.28 0.00 0.00 0.00 178.15 178.90 3kj1 h SER 183 N 0.94 0.62 -0.56 1.72 0.02 -0.94 -0.83 113.55 114.53 3kj1 h SER 183 Ca 0.19 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kj1 h SER 183 Cb 0.45 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3kj1 h SER 183 CO 0.01 0.70 0.34 0.03 -1.14 0.00 0.00 176.83 176.77 3kj1 h ARG 184 N 0.52 0.75 0.21 3.45 3.08 -1.07 0.79 114.38 122.11 3kj1 h ARG 184 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3kj1 h ARG 184 Cb 0.32 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kj1 h ARG 184 CO 0.00 0.53 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.41 3kj1 h TYR 185 N 0.75 -0.26 -0.86 3.04 3.20 -1.15 -1.25 116.97 120.43 3kj1 h TYR 185 Ca 0.20 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.13 3kj1 h TYR 185 Cb -0.03 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 3kj1 h TYR 185 CO -0.03 -0.06 0.53 -0.07 -1.64 0.00 0.00 178.16 176.89 3kj1 h LEU 186 N -0.42 0.81 -0.44 2.82 4.07 -1.03 -1.07 115.31 120.06 3kj1 h LEU 186 Ca -0.03 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 3kj1 h LEU 186 Cb 0.32 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 3kj1 h LEU 186 CO 0.05 0.51 -0.14 -0.09 -1.08 0.00 0.00 178.44 177.69 3kj1 h ARG 187 N 0.94 0.86 0.02 1.13 2.43 -0.72 -0.10 114.38 118.93 3kj1 h ARG 187 Ca 0.39 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kj1 h ARG 187 Cb 0.22 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3kj1 h ARG 187 CO -0.19 0.98 -0.02 0.93 -1.51 0.00 0.00 179.97 180.16 3kj1 h GLU 188 N 0.69 -0.04 -0.61 0.20 5.08 -0.93 0.70 114.58 119.67 3kj1 h GLU 188 Ca 0.11 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3kj1 h GLU 188 Cb 0.68 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3kj1 h GLU 188 CO 0.05 -0.03 0.39 1.96 -1.00 0.00 0.00 179.01 180.39 3kj1 h GLN 189 N -0.04 0.77 -0.43 2.33 1.08 -1.14 0.78 115.11 118.46 3kj1 h GLN 189 Ca 0.00 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 3kj1 h GLN 189 Cb 0.04 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3kj1 h GLN 189 CO -0.01 0.51 -0.20 0.00 -0.95 0.00 0.00 178.83 178.18 3kj1 h ALA 190 N 1.24 0.60 0.00 3.87 0.00 -0.76 -3.32 119.26 120.89 3kj1 h ALA 190 Ca 0.23 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3kj1 h ALA 190 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kj1 h ALA 190 CO -0.07 0.57 -1.77 0.25 0.00 0.00 0.00 179.25 178.23 3kj1 n THR 191 N -4.19 0.75 -0.60 0.00 -2.24 0.22 -4.83 114.28 103.38 3kj1 n THR 191 Ca -0.01 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3kj1 n THR 191 Cb 0.44 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3kj1 n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kj1 n GLY 192 N 1.40 0.79 3.25 3.38 0.00 0.27 -5.04 105.19 109.23 3kj1 n GLY 192 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3kj1 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kj1 s ALA 193 N -3.03 1.91 0.42 4.61 0.00 -1.20 -5.00 121.76 119.47 3kj1 s ALA 193 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 3kj1 s ALA 193 Cb 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 23.12 22.50 3kj1 s ALA 193 CO 0.00 0.44 0.99 0.15 0.00 0.00 0.00 175.76 177.33 3kj1 s LYS 194 N -0.40 4.16 -0.39 0.00 1.02 -1.26 -4.27 119.74 118.59 3kj1 s LYS 194 Ca 0.05 1.28 -0.22 0.00 0.02 0.00 0.00 55.97 57.09 3kj1 s LYS 194 Cb -0.10 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 3kj1 s LYS 194 CO 0.00 -0.11 0.74 0.34 -0.92 0.00 0.00 175.35 175.40 3kj1 s ASP 195 N -1.95 6.47 -1.19 2.83 -1.08 -1.26 -4.97 116.67 115.52 3kj1 s ASP 195 Ca 0.61 0.15 -0.07 0.00 -0.52 0.00 0.00 52.55 52.72 3kj1 s ASP 195 Cb -0.14 -2.37 0.23 0.00 -1.46 0.00 0.00 42.92 39.17 3kj1 s ASP 195 CO 0.19 -0.75 1.73 0.41 0.52 0.00 0.00 175.17 177.27 3kj1 n THR 196 N 5.83 4.86 -3.72 1.71 -1.04 -1.26 -4.88 114.28 115.78 3kj1 n THR 196 Ca 0.02 -5.09 -0.16 0.00 -2.04 0.00 0.00 64.05 56.77 3kj1 n THR 196 Cb 0.48 -2.20 -0.16 0.00 -1.82 0.00 0.00 70.33 66.63 3kj1 n THR 196 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kj1 s LYS 197 N -1.16 0.01 0.11 -2.82 1.02 -1.26 -5.12 119.74 110.53 3kj1 s LYS 197 Ca 0.36 0.38 -0.36 0.00 0.02 0.00 0.00 55.97 56.38 3kj1 s LYS 197 Cb 0.08 -0.28 -0.16 0.00 -0.52 0.00 0.00 37.83 36.95 3kj1 s LYS 197 CO 0.04 -0.23 1.28 -2.30 -0.92 0.00 0.00 175.35 173.22 3kj1 n PRO 198 N 4.68 1.15 -2.17 -1.68 -0.02 -1.26 -4.92 135.00 130.78 3kj1 n PRO 198 Ca -0.17 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 3kj1 n PRO 198 Cb 0.50 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3kj1 n PRO 198 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3kj1 s MET 199 N 0.22 3.25 0.00 -0.52 -1.94 -1.26 -5.03 119.30 114.02 3kj1 s MET 199 Ca 0.81 1.57 0.00 0.00 -1.71 0.00 0.00 55.69 56.36 3kj1 s MET 199 Cb -0.92 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 33.92 3kj1 s MET 199 CO 0.48 -0.92 0.00 0.41 -0.01 0.00 0.00 175.02 174.98 3kj1 n GLY 200 N 0.03 -3.41 3.52 -0.03 0.00 -1.26 -4.68 105.19 99.37 3kj1 n GLY 200 Ca 0.11 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3kj1 n GLY 200 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kj1 n ARG 201 N 0.00 0.54 0.00 1.61 1.85 -1.26 -3.39 116.66 116.01 3kj1 n ARG 201 Ca 0.00 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 3kj1 n ARG 201 Cb 0.00 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 3kj1 n ARG 201 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3kj1 n SER 202 N -0.23 0.00 0.00 2.89 7.64 -1.26 -4.91 113.62 117.75 3kj1 n SER 202 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 3kj1 n SER 202 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3kj1 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kj1 n GLY 203 N 0.00 1.61 0.23 0.23 0.00 -1.22 -4.69 105.19 101.35 3kj1 n GLY 203 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3kj1 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kj1 h ALA 204 N 0.00 -0.50 -0.55 4.61 0.00 -1.90 0.36 119.26 121.26 3kj1 h ALA 204 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3kj1 h ALA 204 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kj1 h ALA 204 CO 0.00 -0.63 -0.01 1.15 0.00 0.00 0.00 179.25 179.77 3kj1 h THR 205 N -0.82 1.26 -0.84 0.00 2.02 -1.98 -2.57 112.91 109.99 3kj1 h THR 205 Ca -0.05 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.01 3kj1 h THR 205 Cb 0.53 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3kj1 h THR 205 CO 0.08 0.40 0.55 0.28 0.37 0.00 0.00 175.52 177.21 3kj1 h SER 206 N 0.86 0.97 -0.34 4.18 0.02 -1.89 0.23 113.55 117.58 3kj1 h SER 206 Ca 0.16 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3kj1 h SER 206 Cb 0.55 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kj1 h SER 206 CO 0.03 0.70 -0.07 0.03 -1.14 0.00 0.00 176.83 176.38 3kj1 h ARG 207 N 1.14 0.65 -0.46 3.45 3.08 -0.20 0.58 114.38 122.62 3kj1 h ARG 207 Ca 0.31 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3kj1 h ARG 207 Cb -0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3kj1 h ARG 207 CO -0.07 0.82 0.07 0.87 -1.07 0.00 0.00 179.97 180.59 3kj1 h LYS 208 N 0.44 0.71 -0.49 0.04 1.57 -1.12 0.59 116.57 118.32 3kj1 h LYS 208 Ca 0.09 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3kj1 h LYS 208 Cb 0.57 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3kj1 h LYS 208 CO 0.03 0.68 0.10 0.00 -0.57 0.00 0.00 179.45 179.70 3kj1 h ALA 209 N 1.40 0.64 -0.62 3.86 0.00 -0.13 0.85 119.26 125.25 3kj1 h ALA 209 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kj1 h ALA 209 Cb 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kj1 h ALA 209 CO 0.00 0.34 0.18 1.25 0.00 0.00 0.00 179.25 181.03 3kj1 h LEU 210 N 0.67 0.91 -0.61 0.00 5.85 -0.52 0.19 115.31 121.80 3kj1 h LEU 210 Ca 0.15 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kj1 h LEU 210 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3kj1 h LEU 210 CO 0.00 0.88 0.35 -0.33 -0.34 0.00 0.00 178.44 179.01 3kj1 h GLU 211 N 0.89 0.83 -0.60 1.25 5.08 -0.72 -0.04 114.58 121.27 3kj1 h GLU 211 Ca 0.20 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kj1 h GLU 211 Cb 0.31 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3kj1 h GLU 211 CO -0.00 0.62 0.33 1.15 -1.00 0.00 0.00 179.01 180.10 3kj1 h THR 212 N 0.82 1.19 -0.78 1.13 2.02 -0.52 -2.18 112.91 114.59 3kj1 h THR 212 Ca 0.22 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3kj1 h THR 212 Cb 0.01 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3kj1 h THR 212 CO -0.04 0.21 0.28 0.25 0.37 0.00 0.00 175.52 176.59 3kj1 h LEU 213 N 0.81 1.10 0.02 2.58 5.85 -0.26 0.37 115.31 125.79 3kj1 h LEU 213 Ca 0.21 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kj1 h LEU 213 Cb 0.04 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3kj1 h LEU 213 CO -0.03 0.99 -0.11 0.03 -0.34 0.00 0.00 178.44 178.98 3kj1 h ARG 214 N 1.15 -0.19 0.62 1.25 3.08 -0.85 0.20 114.38 119.64 3kj1 h ARG 214 Ca 0.26 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3kj1 h ARG 214 Cb 0.26 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kj1 h ARG 214 CO -0.02 -0.12 -0.30 -0.09 -1.07 0.00 0.00 179.97 178.37 3kj1 h ARG 215 N -0.19 -0.80 0.07 0.04 2.43 -1.01 -2.36 114.38 112.55 3kj1 h ARG 215 Ca 0.03 0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 59.01 3kj1 h ARG 215 Cb 0.23 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3kj1 h ARG 215 CO -0.09 -0.50 -1.09 -0.39 -1.51 0.00 0.00 179.97 176.39 3kj1 h VAL 216 N -0.96 1.45 -0.54 0.20 -1.51 -0.99 -2.68 116.25 111.22 3kj1 h VAL 216 Ca -0.09 -2.76 -0.11 0.00 -1.23 0.00 0.00 66.70 62.51 3kj1 h VAL 216 Cb 0.68 2.69 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 3kj1 h VAL 216 CO 0.14 0.81 -0.11 1.23 -1.23 0.00 0.00 177.57 178.41 3kj1 h GLY 217 N 1.43 1.11 1.01 5.19 0.00 -0.71 0.10 103.07 111.20 3kj1 h GLY 217 Ca -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.31 3kj1 h GLY 217 CO 0.18 0.82 0.41 -0.55 0.00 0.00 0.00 176.54 177.40 3kj1 h ASP 218 N 0.90 0.94 -0.56 0.19 5.19 -1.49 -2.09 116.42 119.50 3kj1 h ASP 218 Ca 0.14 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 3kj1 h ASP 218 Cb 0.68 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 3kj1 h ASP 218 CO 0.05 0.77 0.25 1.23 -3.12 0.00 0.00 179.24 178.42 3kj1 h GLY 219 N 1.04 0.88 0.79 2.75 0.00 -1.01 -2.08 103.07 105.44 3kj1 h GLY 219 Ca 0.26 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3kj1 h GLY 219 CO -0.04 0.43 0.38 -2.08 0.00 0.00 0.00 176.54 175.23 3kj1 h VAL 220 N 0.76 1.03 0.00 4.60 2.07 -0.76 -1.07 116.25 122.88 3kj1 h VAL 220 Ca 0.19 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kj1 h VAL 220 Cb 0.16 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3kj1 h VAL 220 CO -0.02 0.13 -0.05 1.56 0.02 0.00 0.00 177.57 179.21 3kj1 h GLN 221 N 0.73 0.00 -6.33 1.57 4.20 -0.99 -3.32 115.11 110.97 3kj1 h GLN 221 Ca 0.27 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.44 3kj1 h GLN 221 Cb 0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3kj1 h GLN 221 CO -0.13 0.05 0.27 1.03 -0.67 0.00 0.00 178.83 179.38 3kj1 s ARG 222 N -4.78 4.54 0.00 1.46 0.52 -0.41 -2.40 118.95 117.90 3kj1 s ARG 222 Ca -0.05 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 3kj1 s ARG 222 Cb 0.16 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3kj1 s ARG 222 CO 0.64 0.08 0.00 0.09 0.02 0.00 0.00 175.30 176.13 3kj1 n ASN 223 N 3.49 0.00 -0.25 0.23 4.13 -1.26 -4.81 115.26 116.78 3kj1 n ASN 223 Ca 0.02 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.37 3kj1 n ASN 223 Cb 0.51 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.90 3kj1 n ASN 223 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3kj1 n HIS 224 N -1.62 0.21 -0.24 3.10 8.25 -1.16 -4.66 115.22 119.10 3kj1 n HIS 224 Ca 0.00 -0.91 -0.03 0.00 -0.26 0.00 0.00 57.72 56.52 3kj1 n HIS 224 Cb 0.00 -0.17 0.07 0.00 1.12 0.00 0.00 29.99 31.01 3kj1 n HIS 224 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3kj1 h GLU 225 N 0.44 0.79 -0.25 -0.41 3.07 -1.76 0.70 114.58 117.16 3kj1 h GLU 225 Ca 0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3kj1 h GLU 225 Cb 1.03 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 3kj1 h GLU 225 CO 0.05 0.53 0.10 1.15 -1.40 0.00 0.00 179.01 179.43 3kj1 h THR 226 N 0.82 1.17 -0.21 1.13 2.02 -1.90 -0.25 112.91 115.69 3kj1 h THR 226 Ca 0.27 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3kj1 h THR 226 Cb 0.03 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3kj1 h THR 226 CO -0.11 0.18 0.11 0.00 0.37 0.00 0.00 175.52 176.06 3kj1 h ALA 227 N 0.94 0.27 -0.18 6.16 0.00 -1.83 -0.27 119.26 124.35 3kj1 h ALA 227 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kj1 h ALA 227 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3kj1 h ALA 227 CO -0.01 -0.19 0.07 0.74 0.00 0.00 0.00 179.25 179.86 3kj1 h PHE 228 N 0.22 0.13 -0.44 0.00 -1.00 -0.74 -0.39 116.94 114.71 3kj1 h PHE 228 Ca 0.07 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.91 3kj1 h PHE 228 Cb 0.08 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.57 3kj1 h PHE 228 CO -0.03 0.07 0.18 1.96 -1.61 0.00 0.00 178.31 178.87 3kj1 h GLN 229 N 0.16 0.35 -0.48 1.51 1.08 -0.97 0.02 115.11 116.79 3kj1 h GLN 229 Ca 0.07 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.35 3kj1 h GLN 229 Cb 0.04 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.30 3kj1 h GLN 229 CO -0.07 0.23 -0.11 0.78 -0.95 0.00 0.00 178.83 178.71 3kj1 h GLY 230 N 0.36 0.35 0.95 3.46 0.00 -0.59 -1.43 103.07 106.18 3kj1 h GLY 230 Ca 0.20 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.61 3kj1 h GLY 230 CO -0.19 -0.18 -0.06 -0.33 0.00 0.00 0.00 176.54 175.79 3kj1 h MET 231 N 0.01 0.71 -0.48 4.80 2.86 -0.44 -1.69 114.93 120.69 3kj1 h MET 231 Ca 0.23 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 3kj1 h MET 231 Cb 0.35 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 3kj1 h MET 231 CO -0.48 0.84 0.07 1.25 1.06 0.00 0.00 176.91 179.65 3kj1 h LEU 232 N 0.52 -0.04 0.06 1.22 5.85 -0.76 0.66 115.31 122.81 3kj1 h LEU 232 Ca 0.10 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kj1 h LEU 232 Cb 0.55 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3kj1 h LEU 232 CO 0.03 0.01 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.02 3kj1 h ARG 233 N 0.20 -0.08 -0.26 1.25 2.43 -1.12 -1.58 114.38 115.22 3kj1 h ARG 233 Ca 0.24 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3kj1 h ARG 233 Cb 0.33 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3kj1 h ARG 233 CO -0.33 -0.04 -0.18 0.87 -1.51 0.00 0.00 179.97 178.77 3kj1 h LYS 234 N -0.09 0.47 0.00 0.20 1.79 -0.96 -2.07 116.57 115.90 3kj1 h LYS 234 Ca -0.01 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 3kj1 h LYS 234 Cb 0.07 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3kj1 h LYS 234 CO 0.01 0.64 0.00 -0.07 -1.08 0.00 0.00 179.45 178.95 3kj1 h LEU 235 N 0.43 0.00 -3.01 2.94 3.38 -0.78 -3.48 115.31 114.80 3kj1 h LEU 235 Ca 0.07 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.52 3kj1 h LEU 235 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kj1 h LEU 235 CO 0.04 0.00 -0.95 -0.67 0.09 0.00 0.00 178.44 176.94 3kj1 n ASP 236 N -2.46 -3.11 -4.62 -0.43 2.03 -0.60 -4.83 116.55 102.53 3kj1 n ASP 236 Ca 0.04 -1.13 -0.43 0.00 0.52 0.00 0.00 54.79 53.79 3kj1 n ASP 236 Cb 0.41 -2.59 -0.02 0.00 -0.72 0.00 0.00 41.12 38.19 3kj1 n ASP 236 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3kj1 s ILE 237 N -3.70 3.94 -0.14 5.18 1.01 -1.25 -4.89 121.20 121.36 3kj1 s ILE 237 Ca 0.32 1.02 0.18 0.00 0.00 0.00 0.00 60.65 62.17 3kj1 s ILE 237 Cb -0.14 -4.08 -0.13 0.00 0.01 0.00 0.00 42.46 38.12 3kj1 s ILE 237 CO 0.92 -0.55 0.80 0.29 0.00 0.00 0.00 174.94 176.40 3kj1 n LYS 238 N 7.72 0.62 -3.84 2.79 5.02 -1.26 -5.00 118.16 124.21 3kj1 n LYS 238 Ca 0.16 0.17 -0.06 0.00 -2.02 0.00 0.00 58.31 56.57 3kj1 n LYS 238 Cb 0.47 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 3kj1 n LYS 238 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kj1 s ASN 239 N -5.63 -0.24 0.64 4.39 2.20 -1.26 -5.02 114.94 110.01 3kj1 s ASN 239 Ca -0.03 -0.59 0.29 0.00 -0.94 0.00 0.00 52.86 51.59 3kj1 s ASN 239 Cb 0.09 0.69 1.56 0.00 -2.00 0.00 0.00 41.25 41.59 3kj1 s ASN 239 CO 0.81 -1.28 1.90 1.05 -2.94 0.00 0.00 177.10 176.65 3kj1 h GLU 240 N 2.00 0.00 0.00 3.55 4.11 -1.95 -0.79 114.58 121.50 3kj1 h GLU 240 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3kj1 h GLU 240 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3kj1 h GLU 240 CO 0.24 0.00 -1.10 -0.25 0.07 0.00 0.00 179.01 177.96 3kj1 n ASP 241 N -3.17 0.83 -4.27 3.06 8.00 -1.26 -4.30 116.55 115.44 3kj1 n ASP 241 Ca 0.01 -0.80 -0.43 0.00 0.71 0.00 0.00 54.79 54.29 3kj1 n ASP 241 Cb 0.47 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 3kj1 n ASP 241 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kj1 n ASP 242 N -1.62 4.68 -0.02 -2.24 2.03 -0.30 -4.55 116.55 114.53 3kj1 n ASP 242 Ca 0.03 -2.92 0.01 0.00 0.52 0.00 0.00 54.79 52.43 3kj1 n ASP 242 Cb 0.37 -1.68 -0.00 0.00 -0.72 0.00 0.00 41.12 39.08 3kj1 n ASP 242 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3kj1 n VAL 243 N 5.56 0.00 -0.25 5.18 0.24 -1.26 -4.70 118.33 123.10 3kj1 n VAL 243 Ca 0.48 -0.48 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 3kj1 n VAL 243 Cb 0.43 1.01 0.06 0.00 -1.47 0.00 0.00 33.84 33.87 3kj1 n VAL 243 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3kj1 h LYS 244 N 0.12 0.91 -0.50 7.34 1.57 -2.00 -1.89 116.57 122.12 3kj1 h LYS 244 Ca 0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3kj1 h LYS 244 Cb 0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3kj1 h LYS 244 CO 0.00 0.60 0.05 0.66 -0.57 0.00 0.00 179.45 180.19 3kj1 h SER 245 N 0.93 0.76 -0.43 0.86 4.64 -1.97 -1.98 113.55 116.36 3kj1 h SER 245 Ca 0.27 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3kj1 h SER 245 Cb -0.08 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3kj1 h SER 245 CO -0.07 0.79 -0.09 0.25 -0.87 0.00 0.00 176.83 176.84 3kj1 h LEU 246 N 0.76 0.83 -0.53 5.97 5.85 -1.77 -1.59 115.31 124.83 3kj1 h LEU 246 Ca 0.16 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3kj1 h LEU 246 Cb 0.38 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3kj1 h LEU 246 CO 0.01 0.99 0.27 0.28 -0.34 0.00 0.00 178.44 179.66 3kj1 h SER 247 N 0.65 0.39 -0.72 1.25 0.02 -1.07 -0.61 113.55 113.46 3kj1 h SER 247 Ca 0.11 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3kj1 h SER 247 Cb 0.63 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 3kj1 h SER 247 CO 0.04 0.27 0.46 0.03 -1.14 0.00 0.00 176.83 176.49 3kj1 h ARG 248 N 0.53 0.96 -0.37 3.45 3.08 -1.18 -0.88 114.38 119.96 3kj1 h ARG 248 Ca 0.24 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3kj1 h ARG 248 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3kj1 h ARG 248 CO -0.16 0.65 0.18 0.28 -1.07 0.00 0.00 179.97 179.85 3kj1 h VAL 249 N 0.98 1.17 -0.45 2.04 2.07 -0.85 -0.38 116.25 120.83 3kj1 h VAL 249 Ca 0.26 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kj1 h VAL 249 Cb -0.08 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3kj1 h VAL 249 CO -0.05 0.18 0.22 0.24 0.02 0.00 0.00 177.57 178.18 3kj1 h MET 250 N 0.46 0.64 -0.61 1.57 2.86 -0.70 0.78 114.93 119.93 3kj1 h MET 250 Ca 0.13 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3kj1 h MET 250 Cb 0.12 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3kj1 h MET 250 CO -0.02 0.54 0.40 0.82 1.06 0.00 0.00 176.91 179.71 3kj1 h ILE 251 N 0.58 1.17 -0.60 -1.22 1.08 -1.05 -2.50 117.51 114.97 3kj1 h ILE 251 Ca 0.15 -0.32 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 3kj1 h ILE 251 Cb 0.11 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 3kj1 h ILE 251 CO -0.02 0.16 0.37 -0.74 -0.69 0.00 0.00 178.15 177.24 3kj1 h HIS 252 N 0.83 0.70 -0.62 1.37 2.76 -0.61 -2.32 115.15 117.26 3kj1 h HIS 252 Ca 0.22 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.52 3kj1 h HIS 252 Cb -0.07 -0.23 -0.08 0.00 1.55 0.00 0.00 27.41 28.57 3kj1 h HIS 252 CO -0.03 0.41 0.18 0.28 -1.30 0.00 0.00 177.93 177.48 3kj1 h VAL 253 N 0.74 0.69 0.00 5.26 2.07 -0.43 -1.30 116.25 123.29 3kj1 h VAL 253 Ca 0.24 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kj1 h VAL 253 Cb -0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3kj1 h VAL 253 CO -0.09 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.05 3kj1 n PHE 254 N -5.07 0.00 0.95 1.57 3.72 -1.02 -4.17 117.46 113.45 3kj1 n PHE 254 Ca 0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.61 3kj1 n PHE 254 Cb 0.32 -0.01 0.55 0.00 -0.94 0.00 0.00 39.48 39.40 3kj1 n PHE 254 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kj1 n SER 255 N -1.01 0.00 -0.03 4.37 3.41 -0.49 -1.69 113.62 118.19 3kj1 n SER 255 Ca 0.22 0.28 0.15 0.00 -0.26 0.00 0.00 58.87 59.27 3kj1 n SER 255 Cb 0.11 -0.42 0.77 0.00 -0.26 0.00 0.00 64.21 64.40 3kj1 n SER 255 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kj1 n ASP 256 N -1.42 0.11 0.00 4.04 5.75 -1.26 -4.91 116.55 118.86 3kj1 n ASP 256 Ca 0.08 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 3kj1 n ASP 256 Cb 0.25 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3kj1 n ASP 256 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kj1 n GLY 257 N 1.23 0.73 3.79 6.12 0.00 -0.68 -5.04 105.19 111.34 3kj1 n GLY 257 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3kj1 n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kj1 s VAL 258 N -2.39 5.43 -0.07 1.61 1.01 -1.26 -5.08 120.40 119.65 3kj1 s VAL 258 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3kj1 s VAL 258 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.93 3kj1 s VAL 258 CO 0.00 0.51 -0.12 -0.89 0.00 0.00 0.00 175.10 174.60 3kj1 s THR 259 N -0.18 1.12 0.24 3.92 2.01 -1.26 -4.72 115.64 116.76 3kj1 s THR 259 Ca 0.12 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3kj1 s THR 259 Cb -0.12 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.37 3kj1 s THR 259 CO 0.01 0.36 0.55 0.54 -0.69 0.00 0.00 174.62 175.39 3kj1 s ASN 260 N 0.79 -0.18 0.31 3.53 2.20 -1.26 -5.05 114.94 115.28 3kj1 s ASN 260 Ca -0.12 -0.73 0.14 0.00 -0.94 0.00 0.00 52.86 51.21 3kj1 s ASN 260 Cb -0.15 0.62 0.45 0.00 -2.00 0.00 0.00 41.25 40.16 3kj1 s ASN 260 CO 0.02 -1.17 1.63 -0.50 -2.94 0.00 0.00 177.10 174.14 3kj1 h TRP 261 N 2.18 0.00 -0.53 1.54 4.06 -1.99 -2.73 115.95 118.48 3kj1 h TRP 261 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 3kj1 h TRP 261 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.39 3kj1 h TRP 261 CO 0.40 0.53 0.34 0.78 -3.56 0.00 0.00 178.44 176.92 3kj1 h GLY 262 N 2.11 0.75 0.96 1.49 0.00 -1.99 0.71 103.07 107.11 3kj1 h GLY 262 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3kj1 h GLY 262 CO 0.07 0.28 0.19 3.21 0.00 0.00 0.00 176.54 180.29 3kj1 h ARG 263 N 0.71 0.71 -0.28 4.80 3.08 -1.95 -1.92 114.38 119.53 3kj1 h ARG 263 Ca 0.19 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3kj1 h ARG 263 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3kj1 h ARG 263 CO -0.04 0.64 0.07 0.82 -1.07 0.00 0.00 179.97 180.39 3kj1 h ILE 264 N 0.63 1.22 -0.15 2.04 2.04 -1.16 -1.23 117.51 120.90 3kj1 h ILE 264 Ca 0.16 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 3kj1 h ILE 264 Cb 0.20 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3kj1 h ILE 264 CO -0.01 0.23 -0.25 1.62 0.00 0.00 0.00 178.15 179.74 3kj1 h VAL 265 N 0.29 1.24 -0.47 1.67 3.04 -0.84 -1.19 116.25 120.00 3kj1 h VAL 265 Ca 0.09 -1.14 -0.12 0.00 -1.01 0.00 0.00 66.70 64.53 3kj1 h VAL 265 Cb 0.29 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3kj1 h VAL 265 CO 0.00 0.35 -0.16 0.74 -1.01 0.00 0.00 177.57 177.48 3kj1 h THR 266 N 0.24 1.27 -0.54 3.17 2.02 -1.04 0.15 112.91 118.18 3kj1 h THR 266 Ca 0.04 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 3kj1 h THR 266 Cb 0.58 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3kj1 h THR 266 CO 0.04 0.45 0.18 -0.07 0.37 0.00 0.00 175.52 176.49 3kj1 h LEU 267 N 0.78 0.78 -0.40 2.58 3.38 -0.78 0.50 115.31 122.15 3kj1 h LEU 267 Ca 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3kj1 h LEU 267 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3kj1 h LEU 267 CO 0.06 0.77 -0.02 0.40 0.09 0.00 0.00 178.44 179.74 3kj1 h ILE 268 N 0.74 1.26 -0.91 1.22 2.04 -1.06 -1.17 117.51 119.63 3kj1 h ILE 268 Ca 0.17 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3kj1 h ILE 268 Cb 0.26 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3kj1 h ILE 268 CO -0.01 0.35 0.55 0.28 0.00 0.00 0.00 178.15 179.32 3kj1 h SER 269 N 0.54 1.10 -0.51 1.72 0.02 -0.52 -0.95 113.55 114.96 3kj1 h SER 269 Ca 0.11 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3kj1 h SER 269 Cb 0.50 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3kj1 h SER 269 CO 0.02 0.85 0.11 0.15 -1.14 0.00 0.00 176.83 176.82 3kj1 h PHE 270 N 1.26 0.93 -0.74 3.45 3.57 -0.73 -1.30 116.94 123.38 3kj1 h PHE 270 Ca 0.33 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.78 3kj1 h PHE 270 Cb -0.04 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 3kj1 h PHE 270 CO 0.00 0.79 0.44 0.78 -2.23 0.00 0.00 178.31 178.10 3kj1 h GLY 271 N 1.00 1.09 1.19 2.40 0.00 -0.24 -0.72 103.07 107.79 3kj1 h GLY 271 Ca 0.18 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3kj1 h GLY 271 CO 0.00 0.23 0.22 0.00 0.00 0.00 0.00 176.54 176.99 3kj1 h ALA 272 N 1.35 1.12 -0.33 3.60 0.00 -0.81 -0.84 119.26 123.35 3kj1 h ALA 272 Ca 0.32 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kj1 h ALA 272 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kj1 h ALA 272 CO -0.16 0.61 0.21 0.35 0.00 0.00 0.00 179.25 180.26 3kj1 h PHE 273 N 0.99 0.39 -0.27 0.00 3.57 -0.46 -0.63 116.94 120.53 3kj1 h PHE 273 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3kj1 h PHE 273 Cb 0.26 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3kj1 h PHE 273 CO 0.02 0.24 0.13 0.28 -2.23 0.00 0.00 178.31 176.75 3kj1 h VAL 274 N 0.42 1.15 -0.54 1.41 2.07 -0.98 -2.52 116.25 117.26 3kj1 h VAL 274 Ca 0.13 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.28 3kj1 h VAL 274 Cb -0.03 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3kj1 h VAL 274 CO -0.04 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.93 3kj1 h ALA 275 N 0.99 0.69 -0.58 1.67 0.00 -0.88 0.11 119.26 121.25 3kj1 h ALA 275 Ca 0.09 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3kj1 h ALA 275 Cb 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3kj1 h ALA 275 CO -0.01 -0.15 0.28 0.87 0.00 0.00 0.00 179.25 180.23 3kj1 h LYS 276 N 0.43 0.50 -0.23 0.00 1.57 -0.98 -2.12 116.57 115.75 3kj1 h LYS 276 Ca 0.26 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3kj1 h LYS 276 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3kj1 h LYS 276 CO -0.23 0.33 -0.34 1.25 -0.57 0.00 0.00 179.45 179.90 3kj1 h HIS 277 N 0.52 0.57 -0.05 -1.35 2.76 -0.85 -2.69 115.15 114.06 3kj1 h HIS 277 Ca 0.27 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 3kj1 h HIS 277 Cb 0.23 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 3kj1 h HIS 277 CO -0.12 0.77 -0.42 -0.07 -1.30 0.00 0.00 177.93 176.80 3kj1 h LEU 278 N 0.42 0.11 -1.00 0.26 3.38 -0.73 -2.79 115.31 114.96 3kj1 h LEU 278 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kj1 h LEU 278 Cb 0.79 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3kj1 h LEU 278 CO 0.06 0.52 -0.44 0.11 0.09 0.00 0.00 178.44 178.78 3kj1 h LYS 279 N 0.09 0.13 -0.21 1.13 1.79 -1.07 -0.65 116.57 117.77 3kj1 h LYS 279 Ca 0.01 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 3kj1 h LYS 279 Cb 0.79 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3kj1 h LYS 279 CO 0.06 0.55 -0.40 1.79 -1.08 0.00 0.00 179.45 180.37 3kj1 h THR 280 N 0.10 1.32 -0.40 -0.16 1.35 -1.25 -2.66 112.91 111.21 3kj1 h THR 280 Ca 0.01 -1.61 -0.09 0.00 -0.55 0.00 0.00 66.41 64.16 3kj1 h THR 280 Cb 0.82 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3kj1 h THR 280 CO 0.06 0.50 -0.11 0.40 -0.25 0.00 0.00 175.52 176.13 3kj1 h ILE 281 N 0.34 1.28 -2.78 6.82 2.04 -1.44 -3.41 117.51 120.35 3kj1 h ILE 281 Ca 0.01 -1.20 -0.42 0.00 1.00 0.00 0.00 64.86 64.24 3kj1 h ILE 281 Cb 0.99 1.22 -0.39 0.00 -0.74 0.00 0.00 36.82 37.91 3kj1 h ILE 281 CO 0.09 0.40 -0.71 0.21 0.00 0.00 0.00 178.15 178.14 3kj1 s ASN 282 N -6.41 2.24 0.00 1.72 2.47 -0.26 -5.01 114.94 109.70 3kj1 s ASN 282 Ca -0.12 -0.64 0.12 0.00 0.42 0.00 0.00 52.86 52.63 3kj1 s ASN 282 Cb 0.10 -0.03 0.63 0.00 -1.45 0.00 0.00 41.25 40.51 3kj1 s ASN 282 CO 0.82 -0.36 1.23 0.00 -3.72 0.00 0.00 177.10 175.07 3kj1 n GLN 283 N 5.29 0.24 -0.42 0.43 1.13 -1.00 -1.74 117.38 121.31 3kj1 n GLN 283 Ca -0.06 0.11 0.08 0.00 -1.94 0.00 0.00 57.00 55.20 3kj1 n GLN 283 Cb 0.48 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 29.60 3kj1 n GLN 283 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kj1 n GLU 284 N -1.18 3.21 -2.29 -1.09 2.13 -1.26 -5.00 120.64 115.15 3kj1 n GLU 284 Ca 0.07 -2.59 -0.42 0.00 0.66 0.00 0.00 57.16 54.88 3kj1 n GLU 284 Cb 0.07 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.11 3kj1 n GLU 284 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3kj1 s SER 285 N -1.13 6.95 0.06 4.31 0.15 -0.71 -5.02 113.70 118.31 3kj1 s SER 285 Ca 0.40 2.20 -0.29 0.00 0.70 0.00 0.00 55.95 58.96 3kj1 s SER 285 Cb 0.26 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3kj1 s SER 285 CO 0.20 -0.55 0.93 0.00 1.20 0.00 0.00 173.24 175.02 3kj1 n ILE 287 N 3.17 0.00 -0.14 0.00 -6.64 -1.26 -4.43 119.36 110.07 3kj1 n ILE 287 Ca 0.03 -0.05 -0.10 0.00 -1.77 0.00 0.00 62.75 60.86 3kj1 n ILE 287 Cb 0.50 -0.12 -0.01 0.00 -1.44 0.00 0.00 39.64 38.56 3kj1 n ILE 287 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 3kj1 h GLU 288 N 0.49 0.66 -0.65 6.28 5.08 -1.93 -1.41 114.58 123.10 3kj1 h GLU 288 Ca 0.00 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3kj1 h GLU 288 Cb 0.36 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 3kj1 h GLU 288 CO 0.00 0.72 0.31 -1.35 -1.00 0.00 0.00 179.01 177.69 3kj1 h PRO 289 N 0.51 0.53 -0.01 2.33 0.11 -1.80 0.25 132.00 133.92 3kj1 h PRO 289 Ca 0.12 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 3kj1 h PRO 289 Cb 0.38 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3kj1 h PRO 289 CO 0.01 0.35 0.01 1.25 -0.21 0.00 0.00 178.00 179.41 3kj1 h LEU 290 N 0.55 0.02 -0.90 2.35 5.85 -1.70 -1.11 115.31 120.36 3kj1 h LEU 290 Ca 0.31 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3kj1 h LEU 290 Cb 0.32 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3kj1 h LEU 290 CO -0.25 0.08 0.43 0.00 -0.34 0.00 0.00 178.44 178.35 3kj1 h ALA 291 N 0.94 1.14 -0.34 1.25 0.00 -0.82 -1.49 119.26 119.94 3kj1 h ALA 291 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3kj1 h ALA 291 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kj1 h ALA 291 CO -0.00 0.66 -0.13 0.93 0.00 0.00 0.00 179.25 180.71 3kj1 h GLU 292 N 1.21 0.59 -0.35 0.00 5.08 -0.39 -0.89 114.58 119.83 3kj1 h GLU 292 Ca 0.30 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3kj1 h GLU 292 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3kj1 h GLU 292 CO -0.04 0.71 -0.21 1.03 -1.00 0.00 0.00 179.01 179.50 3kj1 h SER 293 N 0.54 0.78 -0.20 1.42 0.87 -0.61 -0.83 113.55 115.52 3kj1 h SER 293 Ca 0.10 -0.42 -0.07 0.00 -1.23 0.00 0.00 61.79 60.17 3kj1 h SER 293 Cb 0.54 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3kj1 h SER 293 CO 0.03 1.04 -0.13 0.40 -0.53 0.00 0.00 176.83 177.64 3kj1 h ILE 294 N 0.53 1.32 -0.71 2.23 2.04 -1.19 -2.78 117.51 118.95 3kj1 h ILE 294 Ca 0.07 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 3kj1 h ILE 294 Cb 0.76 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 3kj1 h ILE 294 CO 0.06 0.38 0.28 0.74 0.00 0.00 0.00 178.15 179.61 3kj1 h THR 295 N 0.14 1.25 -0.31 -0.27 2.02 -1.13 -1.67 112.91 112.93 3kj1 h THR 295 Ca 0.04 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.49 3kj1 h THR 295 Cb 0.64 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3kj1 h THR 295 CO 0.04 0.31 0.04 -0.78 0.37 0.00 0.00 175.52 175.50 3kj1 h ASP 296 N 1.01 -0.03 0.10 4.18 3.58 -1.14 0.14 116.42 124.25 3kj1 h ASP 296 Ca 0.24 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 3kj1 h ASP 296 Cb 0.21 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3kj1 h ASP 296 CO -0.02 0.02 -0.05 0.58 -2.88 0.00 0.00 179.24 176.89 3kj1 h VAL 297 N 0.15 0.91 0.55 2.25 2.07 -1.19 -1.06 116.25 119.92 3kj1 h VAL 297 Ca 0.15 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 3kj1 h VAL 297 Cb 0.18 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kj1 h VAL 297 CO -0.21 0.00 -0.26 0.25 0.02 0.00 0.00 177.57 177.36 3kj1 h LEU 298 N -0.14 -0.62 -0.05 2.57 5.85 -1.05 -1.72 115.31 120.15 3kj1 h LEU 298 Ca -0.01 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 3kj1 h LEU 298 Cb 0.11 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.31 3kj1 h LEU 298 CO 0.02 -0.43 -0.45 0.58 -0.34 0.00 0.00 178.44 177.82 3kj1 h VAL 299 N -0.77 1.42 -0.10 1.05 2.07 -0.76 -0.99 116.25 118.17 3kj1 h VAL 299 Ca -0.08 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.51 3kj1 h VAL 299 Cb 0.58 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3kj1 h VAL 299 CO 0.12 0.55 -0.11 -0.09 0.02 0.00 0.00 177.57 178.07 3kj1 h ARG 300 N -0.11 0.26 0.00 1.57 2.43 -1.30 -1.22 114.38 116.01 3kj1 h ARG 300 Ca -0.04 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3kj1 h ARG 300 Cb 1.13 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3kj1 h ARG 300 CO 0.09 0.67 -0.55 1.79 -1.51 0.00 0.00 179.97 180.47 3kj1 h THR 301 N -0.15 0.00 -0.02 0.20 1.35 -1.40 -3.32 112.91 109.57 3kj1 h THR 301 Ca 0.02 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.97 3kj1 h THR 301 Cb 0.63 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3kj1 h THR 301 CO 0.03 0.00 -0.19 0.29 -0.25 0.00 0.00 175.52 175.40 3kj1 n LYS 302 N -2.72 1.47 -0.18 4.72 4.76 -0.38 -4.89 118.16 120.95 3kj1 n LYS 302 Ca 0.02 -2.88 -0.13 0.00 -2.87 0.00 0.00 58.31 52.45 3kj1 n LYS 302 Cb 0.52 -1.57 -0.09 0.00 -1.84 0.00 0.00 35.03 32.06 3kj1 n LYS 302 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kj1 h ARG 303 N 0.47 -0.31 -0.12 1.97 9.65 -1.32 -0.59 114.38 124.12 3kj1 h ARG 303 Ca 0.01 0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.77 3kj1 h ARG 303 Cb 1.03 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 3kj1 h ARG 303 CO 0.02 -0.21 -0.51 -0.44 2.80 0.00 0.00 179.97 181.64 3kj1 h ASP 304 N -0.33 0.36 -0.65 -3.80 3.32 -1.90 -0.40 116.42 113.03 3kj1 h ASP 304 Ca 0.10 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kj1 h ASP 304 Cb 0.57 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3kj1 h ASP 304 CO -0.65 0.81 0.42 -0.25 -1.72 0.00 0.00 179.24 177.85 3kj1 h TRP 305 N 0.26 0.79 -0.19 4.55 7.01 -1.82 -0.99 115.95 125.57 3kj1 h TRP 305 Ca 0.01 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 3kj1 h TRP 305 Cb 0.98 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 3kj1 h TRP 305 CO 0.02 0.49 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.05 3kj1 h LEU 306 N 0.85 0.36 -0.70 0.65 3.38 -0.73 -3.23 115.31 115.89 3kj1 h LEU 306 Ca 0.25 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3kj1 h LEU 306 Cb -0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3kj1 h LEU 306 CO -0.07 0.64 0.41 0.58 0.09 0.00 0.00 178.44 180.09 3kj1 h VAL 307 N 0.07 1.03 -0.09 1.22 2.07 -0.89 0.19 116.25 119.86 3kj1 h VAL 307 Ca 0.05 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3kj1 h VAL 307 Cb 0.48 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3kj1 h VAL 307 CO 0.02 0.14 0.13 0.50 0.02 0.00 0.00 177.57 178.38 3kj1 h LYS 308 N 0.78 0.00 -0.38 1.57 3.64 -1.19 -1.71 116.57 119.27 3kj1 h LYS 308 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3kj1 h LYS 308 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3kj1 h LYS 308 CO -0.15 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 177.97 3kj1 n GLN 309 N -3.59 3.12 -4.06 1.90 7.27 -0.76 -4.92 117.38 116.35 3kj1 n GLN 309 Ca -0.01 -2.56 -0.32 0.00 0.07 0.00 0.00 57.00 54.19 3kj1 n GLN 309 Cb 0.23 -1.64 -0.01 0.00 2.41 0.00 0.00 30.24 31.22 3kj1 n GLN 309 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3kj1 n ARG 310 N 0.25 -3.95 0.00 3.69 1.74 -0.64 -2.84 116.66 114.90 3kj1 n ARG 310 Ca 0.19 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3kj1 n ARG 310 Cb 0.72 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 27.07 3kj1 n ARG 310 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kj1 n GLY 311 N -1.61 4.08 0.19 -0.13 0.00 0.59 -1.95 105.19 106.35 3kj1 n GLY 311 Ca -0.03 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3kj1 n GLY 311 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kj1 h TRP 312 N 0.00 0.00 -0.61 1.61 4.06 -1.87 -1.54 115.95 117.60 3kj1 h TRP 312 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3kj1 h TRP 312 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 3kj1 h TRP 312 CO 0.00 0.00 0.40 0.22 -3.56 0.00 0.00 178.44 175.50 3kj1 h ASP 313 N 0.00 0.71 -0.55 -3.49 3.58 -1.61 -0.37 116.42 114.68 3kj1 h ASP 313 Ca 0.00 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.44 3kj1 h ASP 313 Cb 0.30 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 3kj1 h ASP 313 CO 0.00 0.51 0.36 1.23 -2.88 0.00 0.00 179.24 178.46 3kj1 h GLY 314 N 0.84 0.77 0.97 -0.78 0.00 -1.12 -0.30 103.07 103.45 3kj1 h GLY 314 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3kj1 h GLY 314 CO -0.05 0.26 -0.18 -2.75 0.00 0.00 0.00 176.54 173.82 3kj1 h PHE 315 N 0.72 -0.48 -0.40 5.60 3.57 -1.55 -0.62 116.94 123.78 3kj1 h PHE 315 Ca 0.21 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3kj1 h PHE 315 Cb -0.06 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 3kj1 h PHE 315 CO -0.04 -0.28 -0.01 0.28 -2.23 0.00 0.00 178.31 176.03 3kj1 h VAL 316 N -0.55 0.69 -0.14 1.41 2.07 -0.90 -2.36 116.25 116.47 3kj1 h VAL 316 Ca -0.05 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 3kj1 h VAL 316 Cb 0.42 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kj1 h VAL 316 CO 0.09 0.02 -0.60 -0.33 0.02 0.00 0.00 177.57 176.77 3kj1 h GLU 317 N 0.09 0.46 -0.85 1.57 4.39 -1.02 -1.80 114.58 117.43 3kj1 h GLU 317 Ca 0.20 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3kj1 h GLU 317 Cb 0.28 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3kj1 h GLU 317 CO -0.34 0.92 0.46 0.35 -1.16 0.00 0.00 179.01 179.25 3kj1 h PHE 318 N 0.34 1.16 -0.60 4.33 3.57 -0.72 -2.60 116.94 122.42 3kj1 h PHE 318 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3kj1 h PHE 318 Cb 1.14 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3kj1 h PHE 318 CO 0.04 0.81 0.00 1.19 -2.23 0.00 0.00 178.31 178.12 3kj1 n PHE 319 N -4.38 0.79 -2.03 0.41 3.72 -0.92 -4.96 117.46 110.09 3kj1 n PHE 319 Ca 0.09 -0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 56.67 3kj1 n PHE 319 Cb 0.10 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3kj1 n PHE 319 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3kj1 s HIS 320 N -1.21 2.79 0.16 1.38 2.46 -0.68 -5.02 115.29 115.17 3kj1 s HIS 320 Ca 0.43 0.60 0.10 0.00 0.47 0.00 0.00 55.06 56.65 3kj1 s HIS 320 Cb 0.23 -3.85 -0.04 0.00 -0.13 0.00 0.00 32.58 28.79 3kj1 s HIS 320 CO 0.30 -3.23 -0.22 0.14 -2.47 0.00 0.00 174.74 169.27 3kj1 s VAL 321 N 1.99 2.03 -2.51 0.89 -7.23 -1.26 -5.05 120.40 109.26 3kj1 s VAL 321 Ca 0.69 -1.86 0.28 0.00 -1.81 0.00 0.00 61.98 59.29 3kj1 s VAL 321 Cb -0.38 -1.89 0.55 0.00 0.56 0.00 0.00 36.38 35.21 3kj1 s VAL 321 CO 0.31 -0.14 1.74 -0.62 -0.31 0.00 0.00 175.10 176.07