#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kj0 s SER 171 N 0.00 5.32 -0.80 1.61 1.04 -1.26 -5.06 113.70 114.55 3kj0 s SER 171 Ca 0.00 -0.40 -0.22 0.00 0.48 0.00 0.00 55.95 55.81 3kj0 s SER 171 Cb 0.00 -1.16 0.09 0.00 0.10 0.00 0.00 66.02 65.04 3kj0 s SER 171 CO 0.00 -0.17 1.09 -0.62 0.98 0.00 0.00 173.24 174.52 3kj0 s ASP 172 N -3.89 6.36 0.26 7.02 -1.08 -1.26 -4.88 116.67 119.20 3kj0 s ASP 172 Ca 0.36 -1.36 0.03 0.00 -0.52 0.00 0.00 52.55 51.06 3kj0 s ASP 172 Cb -0.07 -2.44 0.35 0.00 -1.46 0.00 0.00 42.92 39.30 3kj0 s ASP 172 CO 0.25 -1.35 1.65 -0.08 0.52 0.00 0.00 175.17 176.16 3kj0 h GLU 173 N 9.38 0.37 -0.42 4.34 4.57 -1.99 -1.62 114.58 129.20 3kj0 h GLU 173 Ca -0.08 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 57.81 3kj0 h GLU 173 Cb 1.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3kj0 h GLU 173 CO 1.19 0.73 -0.16 1.25 -1.18 0.00 0.00 179.01 180.84 3kj0 h LEU 174 N 0.30 0.87 -0.38 1.64 5.85 -1.99 -1.24 115.31 120.36 3kj0 h LEU 174 Ca 0.03 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3kj0 h LEU 174 Cb 0.87 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3kj0 h LEU 174 CO 0.07 1.06 0.21 0.22 -0.34 0.00 0.00 178.44 179.66 3kj0 h TYR 175 N 0.67 0.52 -0.12 1.25 3.20 -1.92 -1.26 116.97 119.31 3kj0 h TYR 175 Ca 0.10 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3kj0 h TYR 175 Cb 0.71 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3kj0 h TYR 175 CO 0.05 0.40 0.01 -0.09 -1.64 0.00 0.00 178.16 176.90 3kj0 h ARG 176 N 0.48 0.06 -0.45 1.82 2.43 -1.11 0.90 114.38 118.52 3kj0 h ARG 176 Ca 0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3kj0 h ARG 176 Cb 0.06 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3kj0 h ARG 176 CO -0.02 0.04 0.23 0.37 -1.51 0.00 0.00 179.97 179.08 3kj0 h GLN 177 N 0.06 0.64 -0.46 0.20 4.15 -1.18 -1.31 115.11 117.21 3kj0 h GLN 177 Ca 0.05 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3kj0 h GLN 177 Cb 0.05 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3kj0 h GLN 177 CO -0.08 0.53 0.23 0.77 -1.93 0.00 0.00 178.83 178.34 3kj0 h SER 178 N 0.59 0.60 -0.78 -0.69 0.02 -0.98 -2.37 113.55 109.95 3kj0 h SER 178 Ca 0.16 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3kj0 h SER 178 Cb 0.08 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3kj0 h SER 178 CO -0.02 0.55 0.31 0.25 -1.14 0.00 0.00 176.83 176.78 3kj0 h LEU 179 N 0.60 1.08 -0.37 5.07 5.85 -0.64 -0.68 115.31 126.22 3kj0 h LEU 179 Ca 0.16 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kj0 h LEU 179 Cb 0.11 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3kj0 h LEU 179 CO -0.02 0.95 0.23 -0.08 -0.34 0.00 0.00 178.44 179.19 3kj0 h GLU 180 N 1.14 0.50 0.07 1.25 4.81 -1.00 0.24 114.58 121.59 3kj0 h GLU 180 Ca 0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3kj0 h GLU 180 Cb 0.22 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3kj0 h GLU 180 CO -0.02 0.36 -0.03 0.82 -0.73 0.00 0.00 179.01 179.41 3kj0 h ILE 181 N 0.50 1.06 -0.23 2.32 2.04 -1.16 -2.04 117.51 120.00 3kj0 h ILE 181 Ca 0.14 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 3kj0 h ILE 181 Cb -0.02 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3kj0 h ILE 181 CO -0.03 0.11 -0.37 0.40 0.00 0.00 0.00 178.15 178.26 3kj0 h ILE 182 N -0.28 1.31 -0.32 -0.67 2.04 -1.04 -2.04 117.51 116.52 3kj0 h ILE 182 Ca -0.01 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 3kj0 h ILE 182 Cb 0.24 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3kj0 h ILE 182 CO 0.01 0.49 0.21 0.28 0.00 0.00 0.00 178.15 179.15 3kj0 h SER 183 N 0.37 0.36 -0.55 1.72 0.02 -0.58 -1.29 113.55 113.60 3kj0 h SER 183 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3kj0 h SER 183 Cb 0.96 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 3kj0 h SER 183 CO 0.08 0.26 0.32 0.03 -1.14 0.00 0.00 176.83 176.38 3kj0 h ARG 184 N 0.43 0.75 -0.11 3.45 3.08 -1.32 -1.16 114.38 119.50 3kj0 h ARG 184 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kj0 h ARG 184 Cb -0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3kj0 h ARG 184 CO -0.03 0.56 0.05 -0.92 -1.07 0.00 0.00 179.97 178.56 3kj0 h TYR 185 N 0.74 0.16 -0.66 3.04 3.20 -1.18 0.29 116.97 122.57 3kj0 h TYR 185 Ca 0.20 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3kj0 h TYR 185 Cb 0.00 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3kj0 h TYR 185 CO -0.02 0.23 0.41 -0.07 -1.64 0.00 0.00 178.16 177.07 3kj0 h LEU 186 N 0.05 0.78 -0.47 2.82 4.07 -1.14 0.09 115.31 121.52 3kj0 h LEU 186 Ca 0.04 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 3kj0 h LEU 186 Cb 0.13 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3kj0 h LEU 186 CO -0.00 0.59 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.68 3kj0 h ARG 187 N 0.89 0.95 -0.16 1.13 9.65 -1.03 -1.77 114.38 124.04 3kj0 h ARG 187 Ca 0.24 -0.39 -0.15 0.00 -1.10 0.00 0.00 59.98 58.57 3kj0 h ARG 187 Cb -0.05 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 3kj0 h ARG 187 CO -0.05 1.06 -0.54 1.05 2.80 0.00 0.00 179.97 184.29 3kj0 h GLU 188 N 0.79 0.48 -0.68 0.20 4.11 -0.76 -2.18 114.58 116.54 3kj0 h GLU 188 Ca 0.11 -0.30 -0.07 0.00 0.07 0.00 0.00 59.36 59.18 3kj0 h GLU 188 Cb 0.75 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3kj0 h GLU 188 CO 0.06 0.90 0.17 1.96 0.07 0.00 0.00 179.01 182.17 3kj0 h GLN 189 N 0.37 1.09 0.00 1.06 1.08 -0.87 0.53 115.11 118.37 3kj0 h GLN 189 Ca 0.01 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 56.85 3kj0 h GLN 189 Cb 1.07 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 3kj0 h GLN 189 CO 0.10 0.97 -0.47 0.00 -0.95 0.00 0.00 178.83 178.48 3kj0 h ALA 190 N 1.08 0.96 0.00 3.87 0.00 -1.18 -3.36 119.26 120.63 3kj0 h ALA 190 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3kj0 h ALA 190 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kj0 h ALA 190 CO 0.00 0.58 -1.30 0.25 0.00 0.00 0.00 179.25 178.78 3kj0 n THR 191 N -3.59 0.17 -0.88 0.00 -2.24 -0.83 -4.79 114.28 102.12 3kj0 n THR 191 Ca -0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3kj0 n THR 191 Cb 0.56 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3kj0 n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kj0 n GLY 192 N 2.42 0.88 3.84 3.38 0.00 0.18 -5.03 105.19 110.87 3kj0 n GLY 192 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3kj0 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kj0 s ALA 193 N -3.50 3.71 -0.40 4.61 0.00 -1.25 -5.03 121.76 119.90 3kj0 s ALA 193 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 3kj0 s ALA 193 Cb 0.00 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.80 3kj0 s ALA 193 CO 0.00 0.50 0.27 0.15 0.00 0.00 0.00 175.76 176.68 3kj0 s LYS 194 N -1.25 2.85 0.17 0.00 1.02 -1.26 -4.27 119.74 117.00 3kj0 s LYS 194 Ca 0.26 -1.15 -0.33 0.00 0.02 0.00 0.00 55.97 54.76 3kj0 s LYS 194 Cb -0.16 -3.86 -0.15 0.00 -0.52 0.00 0.00 37.83 33.14 3kj0 s LYS 194 CO 0.14 -0.79 1.35 -3.47 -0.92 0.00 0.00 175.35 171.66 3kj0 n ASP 195 N 5.06 2.14 -0.42 2.83 -0.08 -1.26 -4.88 116.55 119.94 3kj0 n ASP 195 Ca -0.11 1.13 0.13 0.00 -1.51 0.00 0.00 54.79 54.42 3kj0 n ASP 195 Cb 0.46 -1.31 0.28 0.00 2.34 0.00 0.00 41.12 42.88 3kj0 n ASP 195 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kj0 n THR 196 N 2.21 0.00 -1.80 5.18 -2.24 -1.26 -4.94 114.28 111.43 3kj0 n THR 196 Ca 0.15 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 3kj0 n THR 196 Cb 0.26 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3kj0 n THR 196 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kj0 s LYS 197 N -2.36 4.11 0.50 -0.78 2.20 -1.26 -4.97 119.74 117.18 3kj0 s LYS 197 Ca 0.26 2.58 -0.22 0.00 -0.36 0.00 0.00 55.97 58.22 3kj0 s LYS 197 Cb 0.19 -2.97 -0.06 0.00 -1.51 0.00 0.00 37.83 33.48 3kj0 s LYS 197 CO 0.48 -0.54 1.24 -2.14 -0.36 0.00 0.00 175.35 174.03 3kj0 s PRO 198 N -2.08 3.50 -0.01 4.03 0.02 -1.26 -4.98 135.00 134.22 3kj0 s PRO 198 Ca 0.53 1.94 -0.25 0.00 0.02 0.00 0.00 61.00 63.24 3kj0 s PRO 198 Cb -0.47 -2.33 -0.19 0.00 0.02 0.00 0.00 34.50 31.54 3kj0 s PRO 198 CO 0.63 -0.81 1.26 0.52 -0.33 0.00 0.00 177.00 178.26 3kj0 h MET 199 N 1.77 -0.10 0.00 5.54 2.86 -1.93 -3.50 114.93 119.57 3kj0 h MET 199 Ca -0.50 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3kj0 h MET 199 Cb 1.27 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.95 3kj0 h MET 199 CO 0.59 0.31 0.00 0.41 1.06 0.00 0.00 176.91 179.28 3kj0 n GLY 200 N 0.05 -0.08 3.69 8.32 0.00 -1.26 -4.81 105.19 111.11 3kj0 n GLY 200 Ca -0.08 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 3kj0 n GLY 200 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kj0 n ARG 201 N 0.00 2.24 -1.97 1.61 0.63 -1.26 0.15 116.66 118.05 3kj0 n ARG 201 Ca 0.00 0.79 -0.21 0.00 -0.92 0.00 0.00 57.85 57.52 3kj0 n ARG 201 Cb 0.00 -2.48 -0.05 0.00 0.45 0.00 0.00 32.46 30.38 3kj0 n ARG 201 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kj0 n SER 202 N 2.03 -5.70 -0.14 6.15 7.64 -1.26 -4.87 113.62 117.48 3kj0 n SER 202 Ca 0.10 0.27 0.11 0.00 1.01 0.00 0.00 58.87 60.36 3kj0 n SER 202 Cb 0.33 -4.90 0.45 0.00 -1.01 0.00 0.00 64.21 59.09 3kj0 n SER 202 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3kj0 h GLY 203 N 0.00 0.75 0.98 0.23 0.00 -0.61 -1.42 103.07 103.00 3kj0 h GLY 203 Ca -0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3kj0 h GLY 203 CO 0.61 0.13 -0.13 0.00 0.00 0.00 0.00 176.54 177.14 3kj0 h ALA 204 N 1.66 -0.37 -0.37 3.60 0.00 -1.89 0.30 119.26 122.18 3kj0 h ALA 204 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kj0 h ALA 204 Cb 0.53 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kj0 h ALA 204 CO -0.10 -0.70 0.20 1.15 0.00 0.00 0.00 179.25 179.80 3kj0 h THR 205 N -0.40 1.15 -0.80 0.00 2.02 -1.88 -2.49 112.91 110.51 3kj0 h THR 205 Ca -0.04 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.76 3kj0 h THR 205 Cb 0.30 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3kj0 h THR 205 CO 0.06 0.15 0.53 0.28 0.37 0.00 0.00 175.52 176.91 3kj0 h SER 206 N 0.47 0.91 -0.12 4.18 0.02 -1.08 0.66 113.55 118.59 3kj0 h SER 206 Ca 0.13 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3kj0 h SER 206 Cb 0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3kj0 h SER 206 CO -0.02 0.65 0.07 -0.09 -1.14 0.00 0.00 176.83 176.30 3kj0 h ARG 207 N 1.07 0.16 -0.37 3.45 2.43 -0.27 -0.48 114.38 120.37 3kj0 h ARG 207 Ca 0.30 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3kj0 h ARG 207 Cb -0.10 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3kj0 h ARG 207 CO -0.07 0.16 -0.01 0.87 -1.51 0.00 0.00 179.97 179.41 3kj0 h LYS 208 N 0.11 0.58 -0.33 0.20 1.57 -1.03 -0.97 116.57 116.71 3kj0 h LYS 208 Ca 0.04 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3kj0 h LYS 208 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kj0 h LYS 208 CO -0.01 0.61 0.04 0.00 -0.57 0.00 0.00 179.45 179.53 3kj0 h ALA 209 N 1.45 0.44 -0.48 3.86 0.00 -0.62 -0.30 119.26 123.60 3kj0 h ALA 209 Ca 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kj0 h ALA 209 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kj0 h ALA 209 CO 0.01 0.14 0.19 1.25 0.00 0.00 0.00 179.25 180.85 3kj0 h LEU 210 N 0.37 0.66 -0.81 0.00 5.85 -0.82 0.71 115.31 121.28 3kj0 h LEU 210 Ca 0.10 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kj0 h LEU 210 Cb 0.37 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3kj0 h LEU 210 CO 0.01 0.65 0.53 -0.33 -0.34 0.00 0.00 178.44 178.96 3kj0 h GLU 211 N 0.63 1.05 -0.40 1.25 5.08 -1.06 0.85 114.58 121.99 3kj0 h GLU 211 Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kj0 h GLU 211 Cb 0.19 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3kj0 h GLU 211 CO -0.01 0.70 0.19 1.15 -1.00 0.00 0.00 179.01 180.03 3kj0 h THR 212 N 1.08 1.17 -0.69 1.13 2.02 -0.67 -2.16 112.91 114.80 3kj0 h THR 212 Ca 0.30 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3kj0 h THR 212 Cb -0.11 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3kj0 h THR 212 CO -0.07 0.19 0.45 0.25 0.37 0.00 0.00 175.52 176.70 3kj0 h LEU 213 N 0.50 0.80 -0.34 2.58 5.85 -0.31 -0.82 115.31 123.57 3kj0 h LEU 213 Ca 0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kj0 h LEU 213 Cb 0.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3kj0 h LEU 213 CO -0.02 0.59 0.21 0.03 -0.34 0.00 0.00 178.44 178.91 3kj0 h ARG 214 N 0.94 0.46 0.29 1.25 3.08 -0.32 0.95 114.38 121.03 3kj0 h ARG 214 Ca 0.25 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3kj0 h ARG 214 Cb -0.09 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3kj0 h ARG 214 CO -0.05 0.34 -0.14 -0.09 -1.07 0.00 0.00 179.97 178.95 3kj0 h ARG 215 N 0.45 -0.38 0.07 0.04 2.43 -0.79 -3.14 114.38 113.05 3kj0 h ARG 215 Ca 0.12 0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 59.05 3kj0 h ARG 215 Cb -0.01 0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3kj0 h ARG 215 CO -0.02 -0.05 -1.13 -0.39 -1.51 0.00 0.00 179.97 176.87 3kj0 h VAL 216 N -0.78 1.33 -0.59 0.20 -1.51 -1.21 -3.24 116.25 110.45 3kj0 h VAL 216 Ca -0.04 -2.46 -0.04 0.00 -1.23 0.00 0.00 66.70 62.92 3kj0 h VAL 216 Cb 0.51 2.58 -0.03 0.00 -2.13 0.00 0.00 31.29 32.22 3kj0 h VAL 216 CO 0.07 0.75 0.19 1.23 -1.23 0.00 0.00 177.57 178.57 3kj0 h GLY 217 N 0.66 0.95 1.72 5.19 0.00 -0.95 -1.71 103.07 108.94 3kj0 h GLY 217 Ca -0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 3kj0 h GLY 217 CO 0.21 0.49 -0.21 -0.55 0.00 0.00 0.00 176.54 176.49 3kj0 h ASP 218 N 0.86 0.33 -0.35 0.19 5.19 -1.60 -1.87 116.42 119.16 3kj0 h ASP 218 Ca 0.20 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 3kj0 h ASP 218 Cb 0.25 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3kj0 h ASP 218 CO -0.01 0.55 -0.15 1.23 -3.12 0.00 0.00 179.24 177.74 3kj0 h GLY 219 N 0.94 0.79 0.97 2.75 0.00 -1.42 -2.33 103.07 104.77 3kj0 h GLY 219 Ca 0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 3kj0 h GLY 219 CO 0.04 0.63 0.18 -2.08 0.00 0.00 0.00 176.54 175.31 3kj0 h VAL 220 N 0.51 1.12 -0.70 4.60 2.07 -0.99 0.28 116.25 123.14 3kj0 h VAL 220 Ca 0.08 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3kj0 h VAL 220 Cb 0.69 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3kj0 h VAL 220 CO 0.05 0.12 0.36 1.56 0.02 0.00 0.00 177.57 179.68 3kj0 h GLN 221 N 0.39 0.99 -0.09 1.57 4.20 -1.35 -1.66 115.11 119.17 3kj0 h GLN 221 Ca 0.11 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3kj0 h GLN 221 Cb 0.04 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3kj0 h GLN 221 CO -0.02 0.76 -0.23 0.00 -0.67 0.00 0.00 178.83 178.67 3kj0 h ARG 222 N 0.97 0.31 -0.20 1.46 3.08 -1.18 -1.50 114.38 117.32 3kj0 h ARG 222 Ca 0.24 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3kj0 h ARG 222 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3kj0 h ARG 222 CO -0.04 0.83 0.14 -0.91 -1.07 0.00 0.00 179.97 178.92 3kj0 h ASN 223 N -0.15 0.10 -0.26 7.04 2.35 -0.38 -3.05 115.58 121.23 3kj0 h ASN 223 Ca -0.00 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 3kj0 h ASN 223 Cb 0.84 -0.02 -0.23 0.00 0.05 0.00 0.00 38.32 38.96 3kj0 h ASN 223 CO 0.05 0.07 -0.74 1.41 -1.65 0.00 0.00 177.43 176.56 3kj0 n HIS 224 N -4.50 0.90 -0.23 1.19 8.25 -0.63 -4.84 115.22 115.37 3kj0 n HIS 224 Ca 0.01 -1.60 -0.04 0.00 -0.26 0.00 0.00 57.72 55.83 3kj0 n HIS 224 Cb 0.20 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.12 3kj0 n HIS 224 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3kj0 h GLU 225 N 1.50 0.80 -0.40 -0.41 4.81 -1.15 -0.83 114.58 118.90 3kj0 h GLU 225 Ca 0.05 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3kj0 h GLU 225 Cb 1.33 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3kj0 h GLU 225 CO 0.25 0.53 0.08 1.15 -0.73 0.00 0.00 179.01 180.29 3kj0 h THR 226 N 0.83 1.24 0.00 0.32 2.02 -1.87 0.12 112.91 115.57 3kj0 h THR 226 Ca 0.26 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3kj0 h THR 226 Cb -0.00 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3kj0 h THR 226 CO -0.09 0.29 -0.02 0.00 0.37 0.00 0.00 175.52 176.07 3kj0 h ALA 227 N 0.93 -0.02 -0.82 6.16 0.00 -1.87 -1.07 119.26 122.57 3kj0 h ALA 227 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kj0 h ALA 227 Cb 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kj0 h ALA 227 CO 0.01 -0.52 0.48 0.74 0.00 0.00 0.00 179.25 179.96 3kj0 h PHE 228 N -0.03 1.09 -0.42 0.00 -1.00 -0.97 -1.63 116.94 113.97 3kj0 h PHE 228 Ca 0.01 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3kj0 h PHE 228 Cb 0.04 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.23 3kj0 h PHE 228 CO -0.09 0.74 0.18 0.37 -1.61 0.00 0.00 178.31 177.90 3kj0 h GLN 229 N 1.13 0.62 -0.63 1.51 5.75 -0.59 -0.46 115.11 122.43 3kj0 h GLN 229 Ca 0.29 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 3kj0 h GLN 229 Cb -0.02 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3kj0 h GLN 229 CO -0.05 0.56 0.41 0.78 -2.65 0.00 0.00 178.83 177.88 3kj0 h GLY 230 N 0.54 0.89 0.88 2.39 0.00 -0.89 -0.12 103.07 106.76 3kj0 h GLY 230 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3kj0 h GLY 230 CO -0.01 0.31 -0.12 -0.33 0.00 0.00 0.00 176.54 176.39 3kj0 h MET 231 N 0.84 -0.32 -0.57 4.80 2.86 -1.10 -3.06 114.93 118.37 3kj0 h MET 231 Ca 0.24 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.97 3kj0 h MET 231 Cb -0.07 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 3kj0 h MET 231 CO -0.06 -0.12 0.23 1.25 1.06 0.00 0.00 176.91 179.26 3kj0 h LEU 232 N -0.45 0.25 -0.60 1.22 5.85 -0.88 -1.52 115.31 119.18 3kj0 h LEU 232 Ca -0.03 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.85 3kj0 h LEU 232 Cb 0.34 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 3kj0 h LEU 232 CO 0.06 0.16 0.17 -0.09 -0.34 0.00 0.00 178.44 178.40 3kj0 h ARG 233 N 0.42 0.31 0.00 1.25 2.43 -0.97 -2.78 114.38 115.04 3kj0 h ARG 233 Ca 0.28 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3kj0 h ARG 233 Cb 0.30 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3kj0 h ARG 233 CO -0.26 0.21 -1.11 0.87 -1.51 0.00 0.00 179.97 178.16 3kj0 h LYS 234 N 0.32 0.00 0.00 0.20 1.79 -1.38 -3.25 116.57 114.25 3kj0 h LYS 234 Ca 0.31 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.76 3kj0 h LYS 234 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3kj0 h LYS 234 CO -0.36 0.14 -0.09 -0.07 -1.08 0.00 0.00 179.45 177.99 3kj0 h LEU 235 N 0.00 0.00 -3.66 2.94 3.38 -1.03 -3.47 115.31 113.47 3kj0 h LEU 235 Ca -0.07 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.38 3kj0 h LEU 235 Cb 1.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.03 3kj0 h LEU 235 CO 0.02 0.09 -0.98 -0.67 0.09 0.00 0.00 178.44 177.00 3kj0 n ASP 236 N -3.36 -4.71 -4.67 -0.43 2.03 -1.07 -4.88 116.55 99.46 3kj0 n ASP 236 Ca -0.01 -1.14 -0.43 0.00 0.52 0.00 0.00 54.79 53.73 3kj0 n ASP 236 Cb 0.27 -2.27 -0.02 0.00 -0.72 0.00 0.00 41.12 38.37 3kj0 n ASP 236 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3kj0 s ILE 237 N -3.42 4.72 0.00 5.18 1.01 -1.26 -4.89 121.20 122.54 3kj0 s ILE 237 Ca 0.41 2.03 0.00 0.00 0.00 0.00 0.00 60.65 63.09 3kj0 s ILE 237 Cb -0.20 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3kj0 s ILE 237 CO 0.92 -0.11 0.00 0.29 0.00 0.00 0.00 174.94 176.04 3kj0 n LYS 238 N 5.82 2.43 -1.66 2.79 5.02 -1.26 -5.00 118.16 126.30 3kj0 n LYS 238 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.38 3kj0 n LYS 238 Cb 0.47 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3kj0 n LYS 238 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kj0 n ASN 239 N -1.64 -0.37 0.24 4.39 0.23 -1.26 -4.95 115.26 111.89 3kj0 n ASN 239 Ca 0.00 -1.31 0.08 0.00 -0.53 0.00 0.00 54.58 52.82 3kj0 n ASN 239 Cb 0.27 0.63 0.58 0.00 -2.08 0.00 0.00 39.78 39.19 3kj0 n ASN 239 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3kj0 h GLU 240 N 0.00 0.00 -0.43 -3.83 4.81 -1.96 -1.09 114.58 112.08 3kj0 h GLU 240 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3kj0 h GLU 240 Cb 0.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3kj0 h GLU 240 CO 0.08 0.16 0.21 -0.44 -0.73 0.00 0.00 179.01 178.28 3kj0 h ASP 241 N 0.00 0.53 0.29 1.04 3.32 -1.99 -1.37 116.42 118.23 3kj0 h ASP 241 Ca -0.00 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.76 3kj0 h ASP 241 Cb 0.31 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3kj0 h ASP 241 CO 0.02 0.46 -1.01 0.44 -1.72 0.00 0.00 179.24 177.43 3kj0 h ASP 242 N 0.60 0.62 -0.03 6.45 3.32 -1.61 -2.83 116.42 122.94 3kj0 h ASP 242 Ca 0.15 -0.51 0.01 0.00 0.02 0.00 0.00 57.03 56.70 3kj0 h ASP 242 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3kj0 h ASP 242 CO -0.02 1.32 -0.03 0.58 -1.72 0.00 0.00 179.24 179.37 3kj0 h VAL 243 N 0.25 0.90 -1.01 -1.35 2.07 -1.22 -1.48 116.25 114.41 3kj0 h VAL 243 Ca -0.10 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.65 3kj0 h VAL 243 Cb 1.66 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 32.23 3kj0 h VAL 243 CO 0.18 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.51 3kj0 h LYS 244 N -0.05 0.53 0.00 1.57 1.79 -1.25 0.58 116.57 119.74 3kj0 h LYS 244 Ca 0.03 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3kj0 h LYS 244 Cb 0.08 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3kj0 h LYS 244 CO -0.06 0.35 -0.22 0.77 -1.08 0.00 0.00 179.45 179.22 3kj0 h SER 245 N 0.55 0.00 0.71 0.86 0.02 -1.03 -2.96 113.55 111.69 3kj0 h SER 245 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3kj0 h SER 245 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3kj0 h SER 245 CO -0.37 0.22 0.00 -0.07 -1.14 0.00 0.00 176.83 175.47 3kj0 h LEU 246 N 0.00 0.00 -1.82 5.07 3.38 -0.37 -2.56 115.31 119.01 3kj0 h LEU 246 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kj0 h LEU 246 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3kj0 h LEU 246 CO 0.03 0.00 -0.01 0.77 0.09 0.00 0.00 178.44 179.32 3kj0 h SER 247 N 0.00 0.08 -0.53 -0.43 4.64 -1.60 -1.95 113.55 113.77 3kj0 h SER 247 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kj0 h SER 247 Cb 0.35 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3kj0 h SER 247 CO 0.00 0.12 0.29 0.03 -0.87 0.00 0.00 176.83 176.40 3kj0 h ARG 248 N 0.09 0.73 -0.45 4.77 2.47 -1.68 0.14 114.38 120.45 3kj0 h ARG 248 Ca 0.02 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3kj0 h ARG 248 Cb 0.09 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 3kj0 h ARG 248 CO 0.00 0.56 0.18 0.28 0.56 0.00 0.00 179.97 181.55 3kj0 h VAL 249 N 0.70 1.20 -0.79 2.04 2.07 -1.54 -2.70 116.25 117.24 3kj0 h VAL 249 Ca 0.19 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3kj0 h VAL 249 Cb 0.04 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3kj0 h VAL 249 CO -0.03 0.23 0.52 0.24 0.02 0.00 0.00 177.57 178.55 3kj0 h MET 250 N 0.59 1.02 -0.61 1.57 2.86 -0.99 -1.93 114.93 117.44 3kj0 h MET 250 Ca 0.15 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 3kj0 h MET 250 Cb 0.19 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3kj0 h MET 250 CO -0.01 0.68 0.36 0.82 1.06 0.00 0.00 176.91 179.82 3kj0 h ILE 251 N 1.05 1.04 0.00 -1.22 1.08 -0.83 -2.73 117.51 115.90 3kj0 h ILE 251 Ca 0.29 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3kj0 h ILE 251 Cb -0.10 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 3kj0 h ILE 251 CO -0.07 0.13 0.00 0.45 -0.69 0.00 0.00 178.15 177.97 3kj0 h HIS 252 N 0.70 0.00 0.00 1.37 3.86 -1.05 -2.42 115.15 117.62 3kj0 h HIS 252 Ca 0.25 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 3kj0 h HIS 252 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3kj0 h HIS 252 CO -0.06 0.00 -0.11 0.28 0.86 0.00 0.00 177.93 178.89 3kj0 h VAL 253 N 0.00 0.65 -0.22 2.45 2.07 -1.07 -2.86 116.25 117.27 3kj0 h VAL 253 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kj0 h VAL 253 Cb 0.56 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3kj0 h VAL 253 CO 0.00 0.11 0.00 0.49 0.02 0.00 0.00 177.57 178.19 3kj0 n PHE 254 N -3.77 0.30 0.52 1.57 3.72 -0.93 -4.67 117.46 114.20 3kj0 n PHE 254 Ca -0.02 -0.46 0.11 0.00 -0.05 0.00 0.00 57.45 57.04 3kj0 n PHE 254 Cb 0.22 -0.03 0.45 0.00 -0.94 0.00 0.00 39.48 39.18 3kj0 n PHE 254 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kj0 n SER 255 N 0.23 0.49 -0.00 4.37 3.41 -1.08 -2.01 113.62 119.04 3kj0 n SER 255 Ca 0.08 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 3kj0 n SER 255 Cb 0.36 -0.71 0.60 0.00 -0.26 0.00 0.00 64.21 64.20 3kj0 n SER 255 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kj0 n ASP 256 N -2.02 0.06 0.00 4.04 5.75 -1.26 -4.90 116.55 118.22 3kj0 n ASP 256 Ca 0.04 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 3kj0 n ASP 256 Cb 0.27 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3kj0 n ASP 256 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kj0 n GLY 257 N 1.47 2.15 3.73 6.12 0.00 -0.85 -5.07 105.19 112.74 3kj0 n GLY 257 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kj0 n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kj0 s VAL 258 N -2.52 4.59 -0.04 1.61 1.01 -1.26 -5.06 120.40 118.73 3kj0 s VAL 258 Ca 0.00 1.90 0.03 0.00 0.00 0.00 0.00 61.98 63.91 3kj0 s VAL 258 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3kj0 s VAL 258 CO 0.00 0.34 -0.14 -0.89 0.00 0.00 0.00 175.10 174.41 3kj0 s THR 259 N -0.02 1.17 0.22 3.92 2.01 -1.26 -4.68 115.64 117.00 3kj0 s THR 259 Ca 0.44 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 3kj0 s THR 259 Cb -0.22 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.28 3kj0 s THR 259 CO 0.27 0.35 0.52 0.54 -0.69 0.00 0.00 174.62 175.61 3kj0 s ASN 260 N 0.16 -0.19 0.33 3.53 2.20 -1.26 -5.05 114.94 114.66 3kj0 s ASN 260 Ca -0.05 -0.65 0.12 0.00 -0.94 0.00 0.00 52.86 51.34 3kj0 s ASN 260 Cb -0.11 0.59 0.58 0.00 -2.00 0.00 0.00 41.25 40.31 3kj0 s ASN 260 CO 0.02 -1.10 1.74 -0.50 -2.94 0.00 0.00 177.10 174.32 3kj0 h TRP 261 N 2.21 0.01 -0.31 1.54 4.06 -2.01 -2.53 115.95 118.93 3kj0 h TRP 261 Ca -0.27 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.70 3kj0 h TRP 261 Cb 1.25 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.39 3kj0 h TRP 261 CO 0.38 0.47 0.16 0.78 -3.56 0.00 0.00 178.44 176.67 3kj0 h GLY 262 N 1.39 0.42 1.04 1.49 0.00 -1.99 0.13 103.07 105.54 3kj0 h GLY 262 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3kj0 h GLY 262 CO 0.06 0.09 0.21 3.21 0.00 0.00 0.00 176.54 180.11 3kj0 h ARG 263 N 0.33 1.09 -0.26 4.80 3.08 -1.92 -0.75 114.38 120.75 3kj0 h ARG 263 Ca 0.13 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3kj0 h ARG 263 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3kj0 h ARG 263 CO -0.08 0.94 0.11 0.82 -1.07 0.00 0.00 179.97 180.69 3kj0 h ILE 264 N 1.03 1.16 -0.64 2.04 2.04 -1.03 -0.55 117.51 121.56 3kj0 h ILE 264 Ca 0.22 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 3kj0 h ILE 264 Cb 0.31 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3kj0 h ILE 264 CO -0.01 0.17 0.13 0.58 0.00 0.00 0.00 178.15 179.02 3kj0 h VAL 265 N 0.27 1.25 -0.58 1.67 2.07 -0.65 -1.51 116.25 118.77 3kj0 h VAL 265 Ca 0.09 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3kj0 h VAL 265 Cb 0.16 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3kj0 h VAL 265 CO -0.01 0.36 0.26 0.74 0.02 0.00 0.00 177.57 178.94 3kj0 h THR 266 N 0.96 1.22 -0.40 2.57 2.02 -0.92 0.19 112.91 118.55 3kj0 h THR 266 Ca 0.20 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3kj0 h THR 266 Cb 0.38 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3kj0 h THR 266 CO 0.01 0.25 0.13 0.25 0.37 0.00 0.00 175.52 176.53 3kj0 h LEU 267 N 0.79 0.58 -0.79 2.58 5.85 -0.87 -0.24 115.31 123.23 3kj0 h LEU 267 Ca 0.20 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3kj0 h LEU 267 Cb 0.15 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3kj0 h LEU 267 CO -0.02 0.62 0.14 0.40 -0.34 0.00 0.00 178.44 179.24 3kj0 h ILE 268 N 0.50 1.26 -0.55 4.05 2.04 -1.03 -1.33 117.51 122.45 3kj0 h ILE 268 Ca 0.13 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 3kj0 h ILE 268 Cb 0.25 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3kj0 h ILE 268 CO -0.01 0.37 -0.02 0.28 0.00 0.00 0.00 178.15 178.77 3kj0 h SER 269 N 0.99 0.93 -0.02 1.72 0.02 -0.35 -0.30 113.55 116.54 3kj0 h SER 269 Ca 0.20 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 3kj0 h SER 269 Cb 0.38 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kj0 h SER 269 CO 0.01 1.00 -0.27 0.15 -1.14 0.00 0.00 176.83 176.58 3kj0 h PHE 270 N 0.88 0.51 -0.60 3.45 3.57 -0.85 -1.61 116.94 122.28 3kj0 h PHE 270 Ca 0.16 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3kj0 h PHE 270 Cb 0.54 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3kj0 h PHE 270 CO 0.03 0.68 0.39 0.78 -2.23 0.00 0.00 178.31 177.97 3kj0 h GLY 271 N 1.03 0.84 1.02 2.40 0.00 -0.42 -0.16 103.07 107.78 3kj0 h GLY 271 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3kj0 h GLY 271 CO 0.05 0.30 0.42 0.00 0.00 0.00 0.00 176.54 177.32 3kj0 h ALA 272 N 1.22 1.03 -0.51 3.60 0.00 -0.77 0.17 119.26 124.01 3kj0 h ALA 272 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kj0 h ALA 272 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3kj0 h ALA 272 CO -0.05 0.55 0.31 0.35 0.00 0.00 0.00 179.25 180.41 3kj0 h PHE 273 N 1.12 0.67 -0.59 0.00 3.57 -0.77 -0.69 116.94 120.26 3kj0 h PHE 273 Ca 0.28 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 3kj0 h PHE 273 Cb 0.06 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3kj0 h PHE 273 CO 0.01 0.46 0.08 0.28 -2.23 0.00 0.00 178.31 176.91 3kj0 h VAL 274 N 0.68 1.26 -0.52 1.41 2.07 -0.74 -2.74 116.25 117.67 3kj0 h VAL 274 Ca 0.18 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3kj0 h VAL 274 Cb -0.01 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3kj0 h VAL 274 CO -0.03 0.37 0.22 0.00 0.02 0.00 0.00 177.57 178.14 3kj0 h ALA 275 N 1.01 0.65 -0.58 1.67 0.00 -0.19 0.15 119.26 121.97 3kj0 h ALA 275 Ca 0.18 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3kj0 h ALA 275 Cb 0.44 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 3kj0 h ALA 275 CO 0.01 -0.16 0.15 0.87 0.00 0.00 0.00 179.25 180.12 3kj0 h LYS 276 N 0.42 0.28 -0.62 0.00 1.57 -1.00 -0.99 116.57 116.23 3kj0 h LYS 276 Ca 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3kj0 h LYS 276 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3kj0 h LYS 276 CO -0.22 0.19 0.30 1.25 -0.57 0.00 0.00 179.45 180.40 3kj0 h HIS 277 N 0.29 0.88 -0.86 -1.35 2.76 -0.98 -2.55 115.15 113.34 3kj0 h HIS 277 Ca 0.30 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 3kj0 h HIS 277 Cb 0.41 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 3kj0 h HIS 277 CO -0.22 0.66 0.54 -0.07 -1.30 0.00 0.00 177.93 177.54 3kj0 h LEU 278 N 0.84 1.02 -0.49 0.26 3.38 -0.00 -1.95 115.31 118.37 3kj0 h LEU 278 Ca 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kj0 h LEU 278 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kj0 h LEU 278 CO -0.03 0.76 0.32 0.50 0.09 0.00 0.00 178.44 180.09 3kj0 h LYS 279 N 1.18 0.65 0.00 1.13 1.63 -0.91 0.13 116.57 120.38 3kj0 h LYS 279 Ca 0.31 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 3kj0 h LYS 279 Cb -0.08 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 3kj0 h LYS 279 CO -0.06 0.44 -0.27 1.79 -3.45 0.00 0.00 179.45 177.90 3kj0 h THR 280 N 0.66 1.14 -0.59 1.00 1.35 -0.96 -2.74 112.91 112.77 3kj0 h THR 280 Ca 0.18 -0.94 -0.05 0.00 -0.55 0.00 0.00 66.41 65.04 3kj0 h THR 280 Cb -0.06 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 3kj0 h THR 280 CO -0.04 0.27 0.07 2.30 -0.25 0.00 0.00 175.52 177.87 3kj0 n ILE 281 N -4.14 2.69 -2.75 6.82 -5.35 -0.97 -4.92 119.36 110.74 3kj0 n ILE 281 Ca -0.02 -1.39 -0.19 0.00 -0.27 0.00 0.00 62.75 60.88 3kj0 n ILE 281 Cb 0.33 -0.32 0.02 0.00 -1.74 0.00 0.00 39.64 37.93 3kj0 n ILE 281 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kj0 n ASN 282 N 0.41 -5.45 -2.07 7.28 5.15 -1.03 -4.93 115.26 114.63 3kj0 n ASN 282 Ca 0.30 -0.18 -0.25 0.00 -0.60 0.00 0.00 54.58 53.84 3kj0 n ASN 282 Cb 1.21 -4.35 0.03 0.00 -0.53 0.00 0.00 39.78 36.13 3kj0 n ASN 282 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kj0 n GLN 283 N -3.34 3.51 0.27 1.20 1.13 0.44 -4.77 117.38 115.81 3kj0 n GLN 283 Ca -0.13 -4.07 0.16 0.00 -1.94 0.00 0.00 57.00 51.01 3kj0 n GLN 283 Cb 0.62 -2.28 0.89 0.00 0.11 0.00 0.00 30.24 29.58 3kj0 n GLN 283 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3kj0 h GLU 284 N 2.17 0.00 0.00 -1.09 3.07 -1.85 -0.55 114.58 116.32 3kj0 h GLU 284 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3kj0 h GLU 284 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3kj0 h GLU 284 CO 0.86 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 177.34 3kj0 n SER 285 N -3.82 0.21 0.03 1.42 3.41 -1.26 -2.07 113.62 111.53 3kj0 n SER 285 Ca -0.01 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 3kj0 n SER 285 Cb 0.17 -0.60 0.10 0.00 -0.26 0.00 0.00 64.21 63.62 3kj0 n SER 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kj0 h ILE 287 N 0.00 1.25 -0.32 0.00 2.04 -1.55 -1.16 117.51 117.78 3kj0 h ILE 287 Ca 0.00 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 3kj0 h ILE 287 Cb 0.66 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3kj0 h ILE 287 CO 0.00 0.34 -0.11 -0.08 0.00 0.00 0.00 178.15 178.30 3kj0 h GLU 288 N 0.84 0.64 -0.43 2.37 4.57 -1.77 -0.84 114.58 119.96 3kj0 h GLU 288 Ca 0.18 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3kj0 h GLU 288 Cb 0.36 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3kj0 h GLU 288 CO 0.00 0.84 0.27 -1.35 -1.18 0.00 0.00 179.01 177.59 3kj0 h PRO 289 N 0.40 0.58 -0.10 0.92 0.11 -1.75 0.41 132.00 132.57 3kj0 h PRO 289 Ca 0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3kj0 h PRO 289 Cb 0.62 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3kj0 h PRO 289 CO 0.04 0.40 0.02 1.25 -0.21 0.00 0.00 178.00 179.49 3kj0 h LEU 290 N 0.59 0.16 -0.85 2.35 5.85 -0.92 -1.06 115.31 121.43 3kj0 h LEU 290 Ca 0.16 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3kj0 h LEU 290 Cb -0.04 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3kj0 h LEU 290 CO -0.03 0.37 0.55 0.00 -0.34 0.00 0.00 178.44 178.99 3kj0 h ALA 291 N 0.79 1.12 -0.73 1.25 0.00 -0.81 -1.50 119.26 119.38 3kj0 h ALA 291 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kj0 h ALA 291 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kj0 h ALA 291 CO 0.00 0.40 0.23 0.93 0.00 0.00 0.00 179.25 180.81 3kj0 h GLU 292 N 1.08 1.13 -0.39 0.00 5.08 -0.80 -0.91 114.58 119.78 3kj0 h GLU 292 Ca 0.34 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3kj0 h GLU 292 Cb -0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3kj0 h GLU 292 CO -0.11 0.97 0.12 1.03 -1.00 0.00 0.00 179.01 180.02 3kj0 h SER 293 N 1.08 0.56 -0.38 1.42 0.87 -0.75 0.27 113.55 116.61 3kj0 h SER 293 Ca 0.24 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3kj0 h SER 293 Cb 0.31 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3kj0 h SER 293 CO -0.01 0.62 0.17 0.40 -0.53 0.00 0.00 176.83 177.48 3kj0 h ILE 294 N 0.48 1.18 -0.60 2.23 2.04 -1.14 -2.14 117.51 119.57 3kj0 h ILE 294 Ca 0.13 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3kj0 h ILE 294 Cb 0.25 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3kj0 h ILE 294 CO -0.00 0.20 0.06 0.74 0.00 0.00 0.00 178.15 179.14 3kj0 h THR 295 N 0.47 1.26 0.24 -0.27 2.02 -0.97 -2.07 112.91 113.60 3kj0 h THR 295 Ca 0.13 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.25 3kj0 h THR 295 Cb 0.16 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3kj0 h THR 295 CO -0.01 0.39 -0.37 -0.78 0.37 0.00 0.00 175.52 175.12 3kj0 h ASP 296 N 0.93 -1.04 -0.38 4.18 3.58 -0.31 0.75 116.42 124.12 3kj0 h ASP 296 Ca 0.18 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.79 3kj0 h ASP 296 Cb 0.48 0.37 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 3kj0 h ASP 296 CO 0.02 -0.48 0.07 0.58 -2.88 0.00 0.00 179.24 176.55 3kj0 h VAL 297 N -0.68 0.80 0.22 2.25 2.07 -1.27 -0.29 116.25 119.35 3kj0 h VAL 297 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3kj0 h VAL 297 Cb 0.66 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kj0 h VAL 297 CO -0.14 0.03 -0.11 -0.07 0.02 0.00 0.00 177.57 177.30 3kj0 h LEU 298 N 0.19 -0.25 -0.05 2.57 3.38 -1.14 -2.51 115.31 117.50 3kj0 h LEU 298 Ca 0.18 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3kj0 h LEU 298 Cb 0.22 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kj0 h LEU 298 CO -0.25 0.10 -0.24 0.58 0.09 0.00 0.00 178.44 178.73 3kj0 h VAL 299 N -0.64 1.45 -0.42 1.22 2.07 -0.84 -0.87 116.25 118.22 3kj0 h VAL 299 Ca -0.03 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.67 3kj0 h VAL 299 Cb 0.46 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3kj0 h VAL 299 CO 0.05 0.47 -0.30 -0.09 0.02 0.00 0.00 177.57 177.72 3kj0 h ARG 300 N -0.27 0.92 0.00 1.57 2.43 -1.17 -2.70 114.38 115.16 3kj0 h ARG 300 Ca -0.01 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3kj0 h ARG 300 Cb 0.89 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3kj0 h ARG 300 CO 0.05 1.09 -0.98 0.25 -1.51 0.00 0.00 179.97 178.87 3kj0 n THR 301 N -4.08 0.00 -0.85 0.20 -2.24 -0.94 -4.37 114.28 101.99 3kj0 n THR 301 Ca -0.01 -0.13 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3kj0 n THR 301 Cb 0.50 0.86 0.10 0.00 -2.10 0.00 0.00 70.33 69.69 3kj0 n THR 301 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kj0 n LYS 302 N -1.52 1.63 -0.34 -0.78 4.76 -0.33 -4.83 118.16 116.74 3kj0 n LYS 302 Ca 0.02 -2.26 0.05 0.00 -2.87 0.00 0.00 58.31 53.24 3kj0 n LYS 302 Cb 0.30 -1.35 0.20 0.00 -1.84 0.00 0.00 35.03 32.35 3kj0 n LYS 302 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kj0 h ARG 303 N 0.00 0.93 -0.60 1.97 2.43 -1.55 -1.05 114.38 116.51 3kj0 h ARG 303 Ca 0.00 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3kj0 h ARG 303 Cb 0.90 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3kj0 h ARG 303 CO 0.00 0.61 0.01 0.38 -1.51 0.00 0.00 179.97 179.47 3kj0 h ASP 304 N 0.95 1.03 -0.33 -3.80 2.03 -1.88 -1.03 116.42 113.40 3kj0 h ASP 304 Ca 0.45 -0.30 -0.04 0.00 -0.73 0.00 0.00 57.03 56.40 3kj0 h ASP 304 Cb 0.38 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3kj0 h ASP 304 CO -0.24 1.08 0.03 -0.25 -1.03 0.00 0.00 179.24 178.83 3kj0 h TRP 305 N 0.95 0.60 -0.48 4.15 7.01 -1.75 -2.25 115.95 124.17 3kj0 h TRP 305 Ca 0.17 -0.09 0.04 0.00 2.11 0.00 0.00 58.89 61.12 3kj0 h TRP 305 Cb 0.54 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.40 3kj0 h TRP 305 CO 0.04 0.65 0.24 -0.07 -2.79 0.00 0.00 178.44 176.50 3kj0 h LEU 306 N 0.37 0.34 -1.16 0.65 3.38 -1.02 -2.01 115.31 115.86 3kj0 h LEU 306 Ca 0.10 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kj0 h LEU 306 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kj0 h LEU 306 CO 0.01 0.24 0.05 0.58 0.09 0.00 0.00 178.44 179.41 3kj0 h VAL 307 N 0.47 1.21 0.00 1.22 2.07 -1.11 0.15 116.25 120.25 3kj0 h VAL 307 Ca 0.21 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kj0 h VAL 307 Cb 0.12 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kj0 h VAL 307 CO -0.15 0.28 0.00 0.11 0.02 0.00 0.00 177.57 177.83 3kj0 h LYS 308 N 0.61 0.00 -0.36 1.57 1.57 -0.75 -1.34 116.57 117.87 3kj0 h LYS 308 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kj0 h LYS 308 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3kj0 h LYS 308 CO 0.01 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.93 3kj0 n GLN 309 N -2.39 2.43 -3.27 3.15 1.13 -0.67 -4.94 117.38 112.82 3kj0 n GLN 309 Ca 0.01 -2.23 -0.18 0.00 -1.94 0.00 0.00 57.00 52.66 3kj0 n GLN 309 Cb 0.18 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.10 3kj0 n GLN 309 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kj0 n ARG 310 N 1.41 -5.75 0.00 -1.09 1.74 -0.51 -2.29 116.66 110.17 3kj0 n ARG 310 Ca 0.18 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3kj0 n ARG 310 Cb 0.58 -5.04 0.00 0.00 -1.02 0.00 0.00 32.46 26.98 3kj0 n ARG 310 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kj0 n GLY 311 N -1.61 3.02 0.18 -0.13 0.00 0.43 -2.02 105.19 105.07 3kj0 n GLY 311 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.96 3kj0 n GLY 311 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3kj0 h TRP 312 N 0.00 0.00 -0.61 1.61 4.06 -1.88 -1.90 115.95 117.23 3kj0 h TRP 312 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3kj0 h TRP 312 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 3kj0 h TRP 312 CO 0.00 0.00 0.21 -0.44 -3.56 0.00 0.00 178.44 174.65 3kj0 h ASP 313 N 0.00 0.87 -0.51 -3.49 3.32 -1.69 -1.48 116.42 113.44 3kj0 h ASP 313 Ca 0.00 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3kj0 h ASP 313 Cb 0.51 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3kj0 h ASP 313 CO 0.00 0.83 0.20 1.23 -1.72 0.00 0.00 179.24 179.79 3kj0 h GLY 314 N 0.86 0.87 0.92 2.75 0.00 -0.91 -1.44 103.07 106.12 3kj0 h GLY 314 Ca 0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kj0 h GLY 314 CO -0.01 0.43 0.05 -2.75 0.00 0.00 0.00 176.54 174.25 3kj0 h PHE 315 N 0.80 0.12 -0.55 5.60 3.57 -1.30 0.88 116.94 126.06 3kj0 h PHE 315 Ca 0.19 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3kj0 h PHE 315 Cb 0.19 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3kj0 h PHE 315 CO 0.01 0.17 0.33 0.28 -2.23 0.00 0.00 178.31 176.88 3kj0 h VAL 316 N 0.04 1.16 -0.49 1.41 2.07 -1.05 -2.94 116.25 116.45 3kj0 h VAL 316 Ca 0.03 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 3kj0 h VAL 316 Cb 0.09 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3kj0 h VAL 316 CO -0.00 0.16 -0.16 -0.33 0.02 0.00 0.00 177.57 177.26 3kj0 h GLU 317 N 0.74 0.95 -0.95 1.57 5.08 -1.09 -2.37 114.58 118.52 3kj0 h GLU 317 Ca 0.20 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3kj0 h GLU 317 Cb -0.03 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 3kj0 h GLU 317 CO -0.04 1.03 0.62 0.35 -1.00 0.00 0.00 179.01 179.98 3kj0 h PHE 318 N 0.84 1.17 -0.37 4.33 3.57 -0.66 -2.34 116.94 123.47 3kj0 h PHE 318 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3kj0 h PHE 318 Cb 0.71 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3kj0 h PHE 318 CO 0.04 0.68 0.00 1.19 -2.23 0.00 0.00 178.31 177.99 3kj0 n PHE 319 N -4.48 0.48 -2.25 0.41 3.72 -1.12 -4.94 117.46 109.29 3kj0 n PHE 319 Ca 0.12 -0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 3kj0 n PHE 319 Cb 0.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3kj0 n PHE 319 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3kj0 s HIS 320 N -1.52 3.24 -0.31 1.38 2.46 -0.88 -5.00 115.29 114.66 3kj0 s HIS 320 Ca 0.37 1.04 -0.03 0.00 0.47 0.00 0.00 55.06 56.91 3kj0 s HIS 320 Cb 0.21 -3.60 0.05 0.00 -0.13 0.00 0.00 32.58 29.11 3kj0 s HIS 320 CO 0.29 -2.06 0.03 0.08 -2.47 0.00 0.00 174.74 170.61 3kj0 s VAL 321 N 1.29 3.22 0.64 0.89 1.01 -1.26 -5.05 120.40 121.13 3kj0 s VAL 321 Ca 0.63 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 3kj0 s VAL 321 Cb -0.34 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3kj0 s VAL 321 CO 0.29 -0.14 1.04 -1.83 0.00 0.00 0.00 175.10 174.47 3kj0 s GLU 322 N 1.29 3.31 -0.48 2.72 1.03 -1.26 -5.00 118.70 120.31 3kj0 s GLU 322 Ca -0.04 0.93 0.07 0.00 0.03 0.00 0.00 54.97 55.96 3kj0 s GLU 322 Cb -0.20 -2.04 0.38 0.00 -0.80 0.00 0.00 34.13 31.47 3kj0 s GLU 322 CO 0.00 -0.80 0.98 -3.47 -1.33 0.00 0.00 175.26 170.64 3kj0 n ASP 323 N -2.68 3.76 -4.62 0.83 2.03 -1.26 -5.06 116.55 109.55 3kj0 n ASP 323 Ca 0.07 -3.50 -0.34 0.00 0.52 0.00 0.00 54.79 51.53 3kj0 n ASP 323 Cb 0.54 -0.53 -0.10 0.00 -0.72 0.00 0.00 41.12 40.31 3kj0 n ASP 323 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kj0 s LEU 324 N -3.33 3.72 -0.82 -2.67 1.43 -1.26 -4.98 118.68 110.77 3kj0 s LEU 324 Ca 0.45 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.54 3kj0 s LEU 324 Cb 0.35 -1.93 -0.12 0.00 0.03 0.00 0.00 46.19 44.52 3kj0 s LEU 324 CO -0.13 0.18 2.70 -1.84 0.23 0.00 0.00 176.35 177.50 3kj0 n GLU 325 N 3.47 2.44 0.00 1.70 -0.00 -1.26 -5.31 120.64 121.67 3kj0 n GLU 325 Ca -0.17 -1.46 0.00 0.00 -0.00 0.00 0.00 57.16 55.53 3kj0 n GLU 325 Cb 0.52 -2.36 0.00 0.00 -0.00 0.00 0.00 31.44 29.60 3kj0 n GLU 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54