#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kj2 h GLU 173 N 0.00 0.61 -0.58 -0.67 4.57 -2.05 -2.63 114.58 113.84 3kj2 h GLU 173 Ca 0.00 -0.43 0.06 0.00 -1.18 0.00 0.00 59.36 57.81 3kj2 h GLU 173 Cb 0.00 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3kj2 h GLU 173 CO 0.00 1.05 0.28 1.25 -1.18 0.00 0.00 179.01 180.41 3kj2 h LEU 174 N 0.45 0.38 -0.20 1.64 5.85 -2.03 0.11 115.31 121.52 3kj2 h LEU 174 Ca -0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kj2 h LEU 174 Cb 1.20 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3kj2 h LEU 174 CO 0.12 0.25 -0.02 0.22 -0.34 0.00 0.00 178.44 178.68 3kj2 h TYR 175 N 0.53 0.41 -0.04 1.25 3.20 -1.96 -1.39 116.97 118.97 3kj2 h TYR 175 Ca 0.27 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.09 3kj2 h TYR 175 Cb 0.22 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3kj2 h TYR 175 CO -0.11 0.58 -0.15 -0.09 -1.64 0.00 0.00 178.16 176.75 3kj2 h ARG 176 N 0.12 -0.22 -0.70 1.82 2.43 -1.06 0.79 114.38 117.57 3kj2 h ARG 176 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3kj2 h ARG 176 Cb 0.43 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3kj2 h ARG 176 CO 0.01 -0.14 0.41 0.37 -1.51 0.00 0.00 179.97 179.11 3kj2 h GLN 177 N -0.22 0.95 -0.30 0.20 4.15 -0.78 -2.12 115.11 116.99 3kj2 h GLN 177 Ca 0.06 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3kj2 h GLN 177 Cb 0.31 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3kj2 h GLN 177 CO -0.17 0.69 0.06 0.77 -1.93 0.00 0.00 178.83 178.25 3kj2 h SER 178 N 0.95 0.46 -0.71 -0.69 0.02 -0.87 -1.97 113.55 110.74 3kj2 h SER 178 Ca 0.25 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3kj2 h SER 178 Cb -0.01 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 3kj2 h SER 178 CO -0.04 0.58 0.47 0.25 -1.14 0.00 0.00 176.83 176.95 3kj2 h LEU 179 N 0.31 0.80 0.04 5.07 5.85 -0.71 -1.57 115.31 125.11 3kj2 h LEU 179 Ca 0.09 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kj2 h LEU 179 Cb 0.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kj2 h LEU 179 CO 0.00 0.58 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.58 3kj2 h GLU 180 N 0.95 -0.05 -0.33 1.25 4.81 -1.10 0.19 114.58 120.30 3kj2 h GLU 180 Ca 0.27 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3kj2 h GLU 180 Cb -0.08 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3kj2 h GLU 180 CO -0.06 0.44 0.13 0.82 -0.73 0.00 0.00 179.01 179.61 3kj2 h ILE 181 N -0.56 0.93 -0.28 2.32 2.04 -1.28 0.52 117.51 121.20 3kj2 h ILE 181 Ca -0.01 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 3kj2 h ILE 181 Cb 0.51 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3kj2 h ILE 181 CO 0.01 0.05 -0.50 0.40 0.00 0.00 0.00 178.15 178.11 3kj2 h ILE 182 N 0.28 1.29 -0.22 -0.67 2.04 -1.31 -2.35 117.51 116.57 3kj2 h ILE 182 Ca 0.14 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 3kj2 h ILE 182 Cb 0.10 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3kj2 h ILE 182 CO -0.13 0.55 0.03 0.28 0.00 0.00 0.00 178.15 178.88 3kj2 h SER 183 N 0.62 0.36 -0.77 1.72 0.02 -0.45 -2.21 113.55 112.83 3kj2 h SER 183 Ca 0.03 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3kj2 h SER 183 Cb 1.08 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3kj2 h SER 183 CO 0.11 0.54 0.36 0.03 -1.14 0.00 0.00 176.83 176.73 3kj2 h ARG 184 N 0.17 1.12 -0.02 3.45 3.08 -0.89 -0.04 114.38 121.25 3kj2 h ARG 184 Ca 0.07 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kj2 h ARG 184 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kj2 h ARG 184 CO 0.01 0.88 0.00 -0.92 -1.07 0.00 0.00 179.97 178.87 3kj2 h TYR 185 N 1.10 0.02 -0.46 3.04 3.20 -1.41 0.21 116.97 122.68 3kj2 h TYR 185 Ca 0.27 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.16 3kj2 h TYR 185 Cb 0.13 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3kj2 h TYR 185 CO 0.01 0.22 0.25 -0.07 -1.64 0.00 0.00 178.16 176.94 3kj2 h LEU 186 N -0.18 0.39 -0.67 2.82 4.07 -1.24 0.18 115.31 120.68 3kj2 h LEU 186 Ca 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 3kj2 h LEU 186 Cb 0.21 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 3kj2 h LEU 186 CO -0.00 0.28 0.21 -0.09 -1.08 0.00 0.00 178.44 177.75 3kj2 h ARG 187 N 0.50 1.04 -0.51 1.13 2.43 -0.93 -0.08 114.38 117.97 3kj2 h ARG 187 Ca 0.19 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3kj2 h ARG 187 Cb 0.06 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3kj2 h ARG 187 CO -0.11 0.91 0.33 1.49 -1.51 0.00 0.00 179.97 181.08 3kj2 h GLU 188 N 0.98 0.67 -0.45 0.20 4.81 -0.60 -0.38 114.58 119.81 3kj2 h GLU 188 Ca 0.22 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3kj2 h GLU 188 Cb 0.30 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3kj2 h GLU 188 CO -0.01 0.45 -0.00 1.96 -0.73 0.00 0.00 179.01 180.68 3kj2 h GLN 189 N 0.68 0.79 -0.16 1.92 1.08 -0.57 0.44 115.11 119.29 3kj2 h GLN 189 Ca 0.18 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 3kj2 h GLN 189 Cb -0.07 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 3kj2 h GLN 189 CO -0.04 0.85 -0.36 0.00 -0.95 0.00 0.00 178.83 178.34 3kj2 h ALA 190 N 0.91 0.26 0.00 3.87 0.00 -0.83 -3.31 119.26 120.17 3kj2 h ALA 190 Ca 0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3kj2 h ALA 190 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kj2 h ALA 190 CO 0.02 0.33 -1.19 1.79 0.00 0.00 0.00 179.25 180.21 3kj2 h THR 191 N 0.17 0.28 -0.01 0.00 1.35 -1.11 -3.47 112.91 110.11 3kj2 h THR 191 Ca 0.00 -1.54 -0.00 0.00 -0.55 0.00 0.00 66.41 64.32 3kj2 h THR 191 Cb 0.96 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3kj2 h THR 191 CO 0.08 0.16 -0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3kj2 n GLY 192 N 1.29 0.44 3.23 5.82 0.00 0.15 -5.01 105.19 111.11 3kj2 n GLY 192 Ca -0.05 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3kj2 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kj2 s ALA 193 N -1.87 2.21 0.53 4.61 0.00 -1.19 -5.01 121.76 121.03 3kj2 s ALA 193 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 3kj2 s ALA 193 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 3kj2 s ALA 193 CO 0.00 0.26 1.13 0.15 0.00 0.00 0.00 175.76 177.30 3kj2 s LYS 194 N 0.39 3.40 -0.20 0.00 -0.14 -1.26 -4.42 119.74 117.51 3kj2 s LYS 194 Ca -0.17 1.62 -0.09 0.00 -1.36 0.00 0.00 55.97 55.96 3kj2 s LYS 194 Cb -0.18 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 3kj2 s LYS 194 CO 0.08 -0.81 0.12 0.34 -0.76 0.00 0.00 175.35 174.32 3kj2 s ASP 195 N -1.74 6.03 -0.93 2.83 2.15 -1.26 -5.04 116.67 118.71 3kj2 s ASP 195 Ca 0.72 0.16 -0.07 0.00 0.43 0.00 0.00 52.55 53.79 3kj2 s ASP 195 Cb -0.24 -2.06 0.23 0.00 -0.30 0.00 0.00 42.92 40.55 3kj2 s ASP 195 CO 0.27 0.15 0.85 0.42 -0.17 0.00 0.00 175.17 176.70 3kj2 s THR 196 N 0.53 5.12 -0.04 1.71 -4.23 -1.26 -4.99 115.64 112.47 3kj2 s THR 196 Ca 0.07 -3.33 -0.03 0.00 -1.18 0.00 0.00 61.69 57.22 3kj2 s THR 196 Cb -0.12 -4.14 0.02 0.00 1.34 0.00 0.00 72.50 69.60 3kj2 s THR 196 CO -0.00 -1.09 0.11 -0.54 -0.54 0.00 0.00 174.62 172.56 3kj2 s LYS 197 N -0.87 0.09 0.08 3.99 1.02 -1.26 -5.12 119.74 117.67 3kj2 s LYS 197 Ca 0.25 0.22 -0.36 0.00 0.02 0.00 0.00 55.97 56.10 3kj2 s LYS 197 Cb -0.10 -0.05 -0.16 0.00 -0.52 0.00 0.00 37.83 37.00 3kj2 s LYS 197 CO -0.09 -0.08 1.44 -2.30 -0.92 0.00 0.00 175.35 173.41 3kj2 n PRO 198 N 3.53 1.46 0.31 -1.68 -0.02 -1.26 -4.81 135.00 132.53 3kj2 n PRO 198 Ca -0.18 0.53 0.19 0.00 -2.02 0.00 0.00 63.50 62.01 3kj2 n PRO 198 Cb 0.56 -2.21 1.04 0.00 -0.02 0.00 0.00 33.50 32.87 3kj2 n PRO 198 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3kj2 h MET 199 N 5.22 0.00 0.00 -0.52 2.86 -1.99 -3.47 114.93 117.02 3kj2 h MET 199 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3kj2 h MET 199 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3kj2 h MET 199 CO 0.82 0.01 0.00 0.41 1.06 0.00 0.00 176.91 179.21 3kj2 n GLY 200 N -1.09 2.74 3.73 8.32 0.00 -1.26 -4.84 105.19 112.78 3kj2 n GLY 200 Ca -0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3kj2 n GLY 200 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kj2 s ARG 201 N 0.00 4.31 -1.51 1.61 3.52 -1.26 -2.02 118.95 123.61 3kj2 s ARG 201 Ca 0.00 2.17 -0.05 0.00 -0.13 0.00 0.00 55.73 57.72 3kj2 s ARG 201 Cb 0.00 -3.18 0.04 0.00 -1.56 0.00 0.00 34.95 30.25 3kj2 s ARG 201 CO 0.00 -0.39 0.43 -1.13 -0.81 0.00 0.00 175.30 173.40 3kj2 n SER 202 N 3.07 -0.79 -0.15 -2.12 3.41 -1.26 -4.85 113.62 110.93 3kj2 n SER 202 Ca 0.09 -1.06 0.05 0.00 -0.26 0.00 0.00 58.87 57.69 3kj2 n SER 202 Cb 0.41 -2.72 0.35 0.00 -0.26 0.00 0.00 64.21 61.99 3kj2 n SER 202 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kj2 h GLY 203 N -1.74 0.89 0.96 5.00 0.00 -1.73 -2.61 103.07 103.84 3kj2 h GLY 203 Ca -0.63 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.40 3kj2 h GLY 203 CO 0.68 0.26 -0.04 0.00 0.00 0.00 0.00 176.54 177.44 3kj2 h ALA 204 N 1.62 -0.08 -0.48 3.60 0.00 -1.89 -1.30 119.26 120.74 3kj2 h ALA 204 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kj2 h ALA 204 Cb 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kj2 h ALA 204 CO -0.08 -0.55 0.31 1.15 0.00 0.00 0.00 179.25 180.08 3kj2 h THR 205 N -0.09 1.13 -0.84 0.00 2.02 -1.87 -2.18 112.91 111.08 3kj2 h THR 205 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3kj2 h THR 205 Cb 0.09 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 3kj2 h THR 205 CO -0.01 0.13 0.48 0.28 0.37 0.00 0.00 175.52 176.77 3kj2 h SER 206 N 0.64 1.03 -0.29 4.18 0.02 -1.26 0.64 113.55 118.51 3kj2 h SER 206 Ca 0.17 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3kj2 h SER 206 Cb -0.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 3kj2 h SER 206 CO -0.04 0.81 -0.15 0.03 -1.14 0.00 0.00 176.83 176.35 3kj2 h ARG 207 N 1.16 0.62 -0.27 3.45 3.08 -1.08 0.79 114.38 122.13 3kj2 h ARG 207 Ca 0.30 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3kj2 h ARG 207 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3kj2 h ARG 207 CO -0.05 0.85 0.05 0.87 -1.07 0.00 0.00 179.97 180.62 3kj2 h LYS 208 N 0.37 0.39 -0.27 0.04 1.57 -1.18 0.14 116.57 117.63 3kj2 h LYS 208 Ca 0.06 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3kj2 h LYS 208 Cb 0.67 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3kj2 h LYS 208 CO 0.04 0.38 -0.10 0.00 -0.57 0.00 0.00 179.45 179.21 3kj2 h ALA 209 N 1.67 0.37 -0.48 3.86 0.00 -0.51 0.10 119.26 124.28 3kj2 h ALA 209 Ca 0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3kj2 h ALA 209 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kj2 h ALA 209 CO -0.00 0.21 0.01 1.25 0.00 0.00 0.00 179.25 180.72 3kj2 h LEU 210 N 0.28 0.75 -0.07 0.00 5.85 -0.32 0.28 115.31 122.09 3kj2 h LEU 210 Ca 0.06 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3kj2 h LEU 210 Cb 0.59 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3kj2 h LEU 210 CO 0.03 0.82 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.59 3kj2 h GLU 211 N 0.74 0.14 -0.94 1.25 5.08 -0.63 -0.17 114.58 120.04 3kj2 h GLU 211 Ca 0.15 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3kj2 h GLU 211 Cb 0.44 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3kj2 h GLU 211 CO 0.02 0.52 0.61 1.15 -1.00 0.00 0.00 179.01 180.31 3kj2 h THR 212 N -0.24 1.07 -0.16 1.13 2.02 -0.64 -2.16 112.91 113.93 3kj2 h THR 212 Ca 0.01 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 3kj2 h THR 212 Cb 0.48 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3kj2 h THR 212 CO 0.01 0.20 -0.39 0.25 0.37 0.00 0.00 175.52 175.96 3kj2 h LEU 213 N 1.08 0.37 -0.10 2.58 5.85 -0.21 -1.63 115.31 123.25 3kj2 h LEU 213 Ca 0.41 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3kj2 h LEU 213 Cb 0.20 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3kj2 h LEU 213 CO -0.16 0.73 -0.02 0.03 -0.34 0.00 0.00 178.44 178.69 3kj2 h ARG 214 N 0.30 0.19 0.72 1.25 3.08 -0.49 0.04 114.38 119.47 3kj2 h ARG 214 Ca 0.03 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3kj2 h ARG 214 Cb 0.82 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.87 3kj2 h ARG 214 CO 0.07 0.48 -0.35 -0.09 -1.07 0.00 0.00 179.97 179.01 3kj2 h ARG 215 N -0.12 -0.94 -0.07 0.04 2.43 -1.25 -1.84 114.38 112.65 3kj2 h ARG 215 Ca 0.03 0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 3kj2 h ARG 215 Cb 0.41 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3kj2 h ARG 215 CO 0.01 -0.63 -0.74 -0.39 -1.51 0.00 0.00 179.97 176.71 3kj2 h VAL 216 N -1.05 1.39 0.15 0.20 -1.51 -1.44 -2.70 116.25 111.30 3kj2 h VAL 216 Ca -0.10 -2.18 -0.01 0.00 -1.23 0.00 0.00 66.70 63.18 3kj2 h VAL 216 Cb 0.75 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3kj2 h VAL 216 CO 0.16 0.65 -0.07 1.23 -1.23 0.00 0.00 177.57 178.31 3kj2 h GLY 217 N 1.35 -0.21 1.63 5.19 0.00 -1.05 -0.94 103.07 109.04 3kj2 h GLY 217 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3kj2 h GLY 217 CO 0.12 -0.08 0.10 -0.55 0.00 0.00 0.00 176.54 176.14 3kj2 h ASP 218 N -0.32 0.43 -0.34 0.19 3.32 -1.40 -2.73 116.42 115.57 3kj2 h ASP 218 Ca -0.02 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3kj2 h ASP 218 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3kj2 h ASP 218 CO 0.03 0.43 0.14 1.23 -1.72 0.00 0.00 179.24 179.35 3kj2 h GLY 219 N 0.68 0.54 0.92 2.75 0.00 -1.12 -1.35 103.07 105.49 3kj2 h GLY 219 Ca 0.11 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.18 3kj2 h GLY 219 CO -0.01 0.27 0.36 -2.08 0.00 0.00 0.00 176.54 175.08 3kj2 h VAL 220 N 0.40 1.09 -0.62 4.60 2.07 -0.91 0.83 116.25 123.71 3kj2 h VAL 220 Ca 0.11 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3kj2 h VAL 220 Cb 0.17 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3kj2 h VAL 220 CO -0.01 0.13 0.18 1.56 0.02 0.00 0.00 177.57 179.45 3kj2 h GLN 221 N 0.71 0.98 0.15 1.57 4.20 -1.34 -0.46 115.11 120.92 3kj2 h GLN 221 Ca 0.22 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kj2 h GLN 221 Cb -0.01 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3kj2 h GLN 221 CO -0.08 0.88 -0.07 0.00 -0.67 0.00 0.00 178.83 178.88 3kj2 h ARG 222 N 0.90 -0.19 0.00 1.46 3.08 -0.97 -2.36 114.38 116.29 3kj2 h ARG 222 Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kj2 h ARG 222 Cb 0.32 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kj2 h ARG 222 CO -0.00 0.03 0.00 -0.91 -1.07 0.00 0.00 179.97 178.02 3kj2 h ASN 223 N -0.40 0.00 -0.45 7.04 -0.26 -0.72 -3.17 115.58 117.63 3kj2 h ASN 223 Ca -0.02 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.40 3kj2 h ASN 223 Cb 0.31 0.00 -0.37 0.00 -1.06 0.00 0.00 38.32 37.21 3kj2 h ASN 223 CO 0.03 0.00 -0.93 1.41 -1.06 0.00 0.00 177.43 176.88 3kj2 n HIS 224 N -2.43 1.53 -0.28 1.19 8.25 -0.19 -4.86 115.22 118.43 3kj2 n HIS 224 Ca 0.03 -1.91 -0.05 0.00 -0.26 0.00 0.00 57.72 55.54 3kj2 n HIS 224 Cb 0.34 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.25 3kj2 n HIS 224 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3kj2 h GLU 225 N 2.08 1.03 -0.14 -0.41 4.81 -1.39 -0.50 114.58 120.06 3kj2 h GLU 225 Ca 0.06 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kj2 h GLU 225 Cb 1.42 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3kj2 h GLU 225 CO 0.37 0.71 0.05 1.15 -0.73 0.00 0.00 179.01 180.55 3kj2 h THR 226 N 1.05 1.18 -0.52 0.32 2.02 -1.88 -0.65 112.91 114.43 3kj2 h THR 226 Ca 0.28 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3kj2 h THR 226 Cb -0.07 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3kj2 h THR 226 CO -0.06 0.17 0.06 0.00 0.37 0.00 0.00 175.52 176.06 3kj2 h ALA 227 N 0.86 0.69 -0.55 6.16 0.00 -1.92 -2.78 119.26 121.72 3kj2 h ALA 227 Ca 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kj2 h ALA 227 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kj2 h ALA 227 CO -0.00 0.45 0.33 0.74 0.00 0.00 0.00 179.25 180.78 3kj2 h PHE 228 N 0.75 0.73 -0.96 0.00 -1.00 -0.98 -0.79 116.94 114.69 3kj2 h PHE 228 Ca 0.15 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.95 3kj2 h PHE 228 Cb 0.44 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 3kj2 h PHE 228 CO 0.03 0.50 0.64 1.96 -1.61 0.00 0.00 178.31 179.83 3kj2 h GLN 229 N 0.74 1.23 -0.39 1.51 4.20 -1.04 0.60 115.11 121.96 3kj2 h GLN 229 Ca 0.20 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3kj2 h GLN 229 Cb -0.02 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 3kj2 h GLN 229 CO -0.04 0.81 -0.11 0.78 -0.67 0.00 0.00 178.83 179.61 3kj2 h GLY 230 N 1.27 0.83 0.99 3.46 0.00 -1.18 -2.42 103.07 106.02 3kj2 h GLY 230 Ca 0.36 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3kj2 h GLY 230 CO -0.09 0.64 0.20 -0.33 0.00 0.00 0.00 176.54 176.95 3kj2 h MET 231 N 0.58 0.85 -0.10 4.80 2.86 -0.62 -1.65 114.93 121.65 3kj2 h MET 231 Ca 0.10 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3kj2 h MET 231 Cb 0.63 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3kj2 h MET 231 CO 0.04 0.76 -0.03 1.25 1.06 0.00 0.00 176.91 179.99 3kj2 h LEU 232 N 0.77 0.13 -0.08 1.22 5.85 -0.87 -1.10 115.31 121.23 3kj2 h LEU 232 Ca 0.18 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 3kj2 h LEU 232 Cb 0.24 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3kj2 h LEU 232 CO -0.01 0.18 -0.54 -0.09 -0.34 0.00 0.00 178.44 177.64 3kj2 h ARG 233 N 0.14 0.52 0.00 1.25 2.43 -0.88 -2.91 114.38 114.93 3kj2 h ARG 233 Ca 0.03 -0.44 -0.09 0.00 -0.81 0.00 0.00 59.98 58.68 3kj2 h ARG 233 Cb 0.15 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3kj2 h ARG 233 CO 0.01 1.08 -0.40 0.87 -1.51 0.00 0.00 179.97 180.01 3kj2 h LYS 234 N 0.10 0.00 -0.35 0.20 1.57 -1.09 -2.97 116.57 114.04 3kj2 h LYS 234 Ca -0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3kj2 h LYS 234 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3kj2 h LYS 234 CO 0.11 0.40 -0.20 1.25 -0.57 0.00 0.00 179.45 180.44 3kj2 h LEU 235 N 0.00 0.66 -2.80 2.94 5.85 -1.19 -3.47 115.31 117.30 3kj2 h LEU 235 Ca -0.00 -0.22 -0.58 0.00 0.84 0.00 0.00 57.88 57.92 3kj2 h LEU 235 Cb 1.00 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.76 3kj2 h LEU 235 CO 0.05 0.86 -0.97 -0.67 -0.34 0.00 0.00 178.44 177.37 3kj2 n ASP 236 N -4.13 -1.48 -4.69 1.25 2.03 -1.10 -4.85 116.55 103.58 3kj2 n ASP 236 Ca 0.00 -1.23 -0.42 0.00 0.52 0.00 0.00 54.79 53.66 3kj2 n ASP 236 Cb 0.40 -1.96 -0.03 0.00 -0.72 0.00 0.00 41.12 38.81 3kj2 n ASP 236 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kj2 s ILE 237 N -3.96 3.76 -0.04 5.18 2.07 -1.26 -4.94 121.20 122.01 3kj2 s ILE 237 Ca 0.21 1.16 0.04 0.00 -1.41 0.00 0.00 60.65 60.65 3kj2 s ILE 237 Cb -0.11 -3.75 -0.25 0.00 0.13 0.00 0.00 42.46 38.49 3kj2 s ILE 237 CO 0.96 0.01 0.67 0.11 -1.91 0.00 0.00 174.94 174.78 3kj2 h LYS 238 N 7.61 0.12 0.00 3.50 1.57 -1.88 -3.49 116.57 124.00 3kj2 h LYS 238 Ca -0.38 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.04 3kj2 h LYS 238 Cb 1.18 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 3kj2 h LYS 238 CO 0.89 0.85 0.08 0.27 -0.57 0.00 0.00 179.45 180.96 3kj2 n ASN 239 N -3.27 -1.84 0.29 0.86 0.23 -1.26 -5.02 115.26 105.26 3kj2 n ASN 239 Ca -0.20 -2.71 0.19 0.00 -0.53 0.00 0.00 54.58 51.34 3kj2 n ASN 239 Cb 1.04 3.19 0.94 0.00 -2.08 0.00 0.00 39.78 42.87 3kj2 n ASN 239 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3kj2 h GLU 240 N 0.00 0.00 0.00 -3.83 4.11 -1.95 -2.30 114.58 110.61 3kj2 h GLU 240 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 3kj2 h GLU 240 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3kj2 h GLU 240 CO 0.39 0.00 -1.23 -0.25 0.07 0.00 0.00 179.01 177.99 3kj2 n ASP 241 N -2.99 0.59 -3.93 3.06 8.00 -1.26 -4.37 116.55 115.65 3kj2 n ASP 241 Ca -0.01 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.67 3kj2 n ASP 241 Cb 0.17 1.12 -0.00 0.00 -0.02 0.00 0.00 41.12 42.39 3kj2 n ASP 241 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kj2 n ASP 242 N -1.89 4.04 -0.42 -2.24 2.03 -0.87 -4.48 116.55 112.73 3kj2 n ASP 242 Ca 0.01 -2.85 0.05 0.00 0.52 0.00 0.00 54.79 52.52 3kj2 n ASP 242 Cb 0.43 -1.66 0.06 0.00 -0.72 0.00 0.00 41.12 39.24 3kj2 n ASP 242 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3kj2 n VAL 243 N 5.47 0.18 -0.23 5.18 0.24 -1.26 -4.66 118.33 123.25 3kj2 n VAL 243 Ca 0.51 -0.59 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3kj2 n VAL 243 Cb 0.41 1.07 0.04 0.00 -1.47 0.00 0.00 33.84 33.89 3kj2 n VAL 243 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3kj2 h LYS 244 N 1.86 0.88 -0.22 7.34 1.57 -2.00 -0.56 116.57 125.44 3kj2 h LYS 244 Ca 0.00 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3kj2 h LYS 244 Cb 0.46 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3kj2 h LYS 244 CO 0.00 0.64 -0.02 0.66 -0.57 0.00 0.00 179.45 180.16 3kj2 h SER 245 N 0.87 0.40 -0.64 0.86 4.64 -1.98 -2.08 113.55 115.62 3kj2 h SER 245 Ca 0.23 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kj2 h SER 245 Cb -0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3kj2 h SER 245 CO -0.04 0.64 0.40 0.25 -0.87 0.00 0.00 176.83 177.20 3kj2 h LEU 246 N 0.16 0.77 -0.53 5.97 5.85 -1.82 -0.22 115.31 125.49 3kj2 h LEU 246 Ca 0.06 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3kj2 h LEU 246 Cb 0.44 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3kj2 h LEU 246 CO 0.02 0.59 0.26 -1.28 -0.34 0.00 0.00 178.44 177.69 3kj2 h SER 247 N 0.90 0.69 -0.09 1.25 0.87 -0.89 -0.11 113.55 116.16 3kj2 h SER 247 Ca 0.24 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3kj2 h SER 247 Cb -0.04 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3kj2 h SER 247 CO -0.05 0.62 -0.15 0.03 -0.53 0.00 0.00 176.83 176.76 3kj2 h ARG 248 N 0.71 0.44 -0.10 2.24 3.08 -0.68 -1.65 114.38 118.41 3kj2 h ARG 248 Ca 0.18 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3kj2 h ARG 248 Cb 0.11 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kj2 h ARG 248 CO -0.02 0.58 0.01 0.28 -1.07 0.00 0.00 179.97 179.75 3kj2 h VAL 249 N 0.40 1.23 -0.41 2.04 2.07 -0.50 -1.65 116.25 119.44 3kj2 h VAL 249 Ca 0.07 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3kj2 h VAL 249 Cb 0.50 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3kj2 h VAL 249 CO 0.03 0.21 0.11 0.24 0.02 0.00 0.00 177.57 178.18 3kj2 h MET 250 N -0.08 0.65 -0.68 1.57 2.86 -0.88 -0.34 114.93 118.03 3kj2 h MET 250 Ca 0.03 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3kj2 h MET 250 Cb 0.31 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 3kj2 h MET 250 CO 0.00 0.66 0.38 0.82 1.06 0.00 0.00 176.91 179.83 3kj2 h ILE 251 N 0.52 0.96 -0.44 -1.22 1.08 -1.33 -2.21 117.51 114.87 3kj2 h ILE 251 Ca 0.13 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 3kj2 h ILE 251 Cb 0.29 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 3kj2 h ILE 251 CO -0.00 0.13 0.07 -0.74 -0.69 0.00 0.00 178.15 176.92 3kj2 h HIS 252 N 0.69 0.69 -0.84 1.37 2.76 -0.73 -2.50 115.15 116.59 3kj2 h HIS 252 Ca 0.31 -0.06 0.07 0.00 -2.20 0.00 0.00 60.37 58.49 3kj2 h HIS 252 Cb 0.20 -0.20 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 3kj2 h HIS 252 CO -0.08 0.61 0.55 0.28 -1.30 0.00 0.00 177.93 177.99 3kj2 h VAL 253 N 0.65 1.03 -0.02 5.26 2.07 -0.43 -1.43 116.25 123.38 3kj2 h VAL 253 Ca 0.14 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kj2 h VAL 253 Cb 0.30 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kj2 h VAL 253 CO 0.00 0.16 -0.05 0.49 0.02 0.00 0.00 177.57 178.20 3kj2 n PHE 254 N -4.50 0.00 0.25 1.57 3.72 -0.97 -4.33 117.46 113.20 3kj2 n PHE 254 Ca 0.13 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.56 3kj2 n PHE 254 Cb 0.24 -0.01 0.15 0.00 -0.94 0.00 0.00 39.48 38.91 3kj2 n PHE 254 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kj2 n SER 255 N 0.32 0.00 -0.13 4.37 3.41 -0.54 -0.88 113.62 120.16 3kj2 n SER 255 Ca 0.17 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3kj2 n SER 255 Cb 0.41 -0.45 0.39 0.00 -0.26 0.00 0.00 64.21 64.30 3kj2 n SER 255 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kj2 n ASP 256 N -1.45 0.72 0.00 4.04 5.75 -1.26 -4.93 116.55 119.42 3kj2 n ASP 256 Ca 0.02 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 3kj2 n ASP 256 Cb 0.07 0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3kj2 n ASP 256 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kj2 n GLY 257 N 1.39 0.76 3.72 6.12 0.00 -0.06 -5.04 105.19 112.08 3kj2 n GLY 257 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3kj2 n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kj2 s VAL 258 N -2.87 5.21 -0.10 1.61 1.01 -1.26 -5.07 120.40 118.94 3kj2 s VAL 258 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3kj2 s VAL 258 Cb 0.00 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3kj2 s VAL 258 CO 0.00 0.34 -0.08 -0.89 0.00 0.00 0.00 175.10 174.47 3kj2 s THR 259 N 0.62 0.96 0.14 3.92 2.01 -1.26 -4.78 115.64 117.25 3kj2 s THR 259 Ca 0.24 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.82 3kj2 s THR 259 Cb -0.15 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3kj2 s THR 259 CO 0.09 0.35 0.39 0.54 -0.69 0.00 0.00 174.62 175.29 3kj2 s ASN 260 N 1.49 -0.15 0.42 3.53 2.20 -1.26 -5.05 114.94 116.11 3kj2 s ASN 260 Ca 0.00 -0.48 0.14 0.00 -0.94 0.00 0.00 52.86 51.58 3kj2 s ASN 260 Cb -0.13 0.48 0.88 0.00 -2.00 0.00 0.00 41.25 40.48 3kj2 s ASN 260 CO -0.05 -0.89 1.92 -0.50 -2.94 0.00 0.00 177.10 174.63 3kj2 h TRP 261 N 2.40 0.00 -0.34 1.54 4.06 -1.99 -2.60 115.95 119.01 3kj2 h TRP 261 Ca -0.32 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.68 3kj2 h TRP 261 Cb 1.25 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.36 3kj2 h TRP 261 CO 0.36 0.26 0.06 0.78 -3.56 0.00 0.00 178.44 176.34 3kj2 h GLY 262 N 0.81 0.39 0.90 1.49 0.00 -1.99 0.34 103.07 105.01 3kj2 h GLY 262 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3kj2 h GLY 262 CO 0.03 -0.03 -0.00 3.21 0.00 0.00 0.00 176.54 179.75 3kj2 h ARG 263 N 0.18 0.59 -0.19 4.80 3.08 -1.92 -2.24 114.38 118.68 3kj2 h ARG 263 Ca 0.16 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3kj2 h ARG 263 Cb 0.18 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3kj2 h ARG 263 CO -0.22 0.72 -0.00 0.82 -1.07 0.00 0.00 179.97 180.22 3kj2 h ILE 264 N 0.39 0.87 0.00 2.04 2.04 -1.09 -1.11 117.51 120.65 3kj2 h ILE 264 Ca 0.09 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 3kj2 h ILE 264 Cb 0.46 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3kj2 h ILE 264 CO 0.02 0.01 -0.42 1.62 0.00 0.00 0.00 178.15 179.38 3kj2 h VAL 265 N 0.06 1.06 -0.42 1.67 3.04 -0.96 -2.44 116.25 118.25 3kj2 h VAL 265 Ca 0.09 -1.57 -0.10 0.00 -1.01 0.00 0.00 66.70 64.11 3kj2 h VAL 265 Cb 0.11 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 3kj2 h VAL 265 CO -0.15 0.41 -0.12 0.74 -1.01 0.00 0.00 177.57 177.45 3kj2 h THR 266 N 0.00 1.27 -0.80 3.17 2.02 -0.89 0.73 112.91 118.42 3kj2 h THR 266 Ca -0.00 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 3kj2 h THR 266 Cb 0.88 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3kj2 h THR 266 CO 0.05 0.41 0.33 -0.07 0.37 0.00 0.00 175.52 176.62 3kj2 h LEU 267 N 0.65 1.08 -0.44 2.58 3.38 -1.01 -0.59 115.31 120.96 3kj2 h LEU 267 Ca 0.11 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3kj2 h LEU 267 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kj2 h LEU 267 CO 0.04 0.95 -0.21 0.40 0.09 0.00 0.00 178.44 179.71 3kj2 h ILE 268 N 1.15 1.27 -0.50 1.22 2.04 -1.28 -1.08 117.51 120.34 3kj2 h ILE 268 Ca 0.27 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 3kj2 h ILE 268 Cb 0.19 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3kj2 h ILE 268 CO -0.02 0.47 0.20 0.28 0.00 0.00 0.00 178.15 179.07 3kj2 h SER 269 N 0.76 0.70 -0.14 1.72 0.02 -0.59 -1.67 113.55 114.35 3kj2 h SER 269 Ca 0.10 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3kj2 h SER 269 Cb 0.78 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3kj2 h SER 269 CO 0.06 0.68 -0.13 0.15 -1.14 0.00 0.00 176.83 176.45 3kj2 h PHE 270 N 0.67 0.54 -0.76 3.45 3.57 -1.06 -1.44 116.94 121.91 3kj2 h PHE 270 Ca 0.17 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3kj2 h PHE 270 Cb 0.20 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3kj2 h PHE 270 CO 0.01 0.61 0.47 0.78 -2.23 0.00 0.00 178.31 177.95 3kj2 h GLY 271 N 0.93 1.11 1.04 2.40 0.00 -0.68 0.35 103.07 108.21 3kj2 h GLY 271 Ca 0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3kj2 h GLY 271 CO 0.03 0.28 0.02 0.00 0.00 0.00 0.00 176.54 176.88 3kj2 h ALA 272 N 1.33 0.74 -0.98 3.60 0.00 -0.81 -0.21 119.26 122.94 3kj2 h ALA 272 Ca 0.31 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kj2 h ALA 272 Cb 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3kj2 h ALA 272 CO -0.13 0.55 0.64 0.35 0.00 0.00 0.00 179.25 180.66 3kj2 h PHE 273 N 0.85 1.19 -0.34 0.00 3.57 -0.60 -0.96 116.94 120.65 3kj2 h PHE 273 Ca 0.16 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 3kj2 h PHE 273 Cb 0.51 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3kj2 h PHE 273 CO 0.04 0.67 -0.24 0.28 -2.23 0.00 0.00 178.31 176.82 3kj2 h VAL 274 N 1.22 1.29 -0.64 1.41 2.07 -0.68 -3.01 116.25 117.90 3kj2 h VAL 274 Ca 0.40 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3kj2 h VAL 274 Cb 0.04 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3kj2 h VAL 274 CO -0.13 0.46 0.43 0.00 0.02 0.00 0.00 177.57 178.34 3kj2 h ALA 275 N 0.76 1.67 -0.43 1.67 0.00 -0.36 -1.28 119.26 121.29 3kj2 h ALA 275 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3kj2 h ALA 275 Cb 0.81 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kj2 h ALA 275 CO 0.07 0.25 0.09 0.87 0.00 0.00 0.00 179.25 180.53 3kj2 h LYS 276 N 0.74 0.70 -0.29 0.00 1.57 -1.13 -2.88 116.57 115.29 3kj2 h LYS 276 Ca 0.26 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3kj2 h LYS 276 Cb 0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3kj2 h LYS 276 CO -0.07 0.72 -0.12 1.25 -0.57 0.00 0.00 179.45 180.65 3kj2 h HIS 277 N 0.57 0.52 -0.63 -1.35 2.76 -1.19 -2.77 115.15 113.06 3kj2 h HIS 277 Ca 0.13 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 3kj2 h HIS 277 Cb 0.34 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 3kj2 h HIS 277 CO 0.02 0.60 0.17 -0.07 -1.30 0.00 0.00 177.93 177.35 3kj2 h LEU 278 N 0.45 0.91 0.19 0.26 3.38 -1.12 -3.07 115.31 116.30 3kj2 h LEU 278 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kj2 h LEU 278 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kj2 h LEU 278 CO 0.03 0.87 -0.18 0.11 0.09 0.00 0.00 178.44 179.35 3kj2 h LYS 279 N 0.93 -0.38 -0.80 1.13 1.79 -1.28 -2.32 116.57 115.65 3kj2 h LYS 279 Ca 0.20 0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.89 3kj2 h LYS 279 Cb 0.30 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 30.91 3kj2 h LYS 279 CO -0.00 -0.26 0.16 1.79 -1.08 0.00 0.00 179.45 180.06 3kj2 h THR 280 N -0.40 0.40 0.01 -0.16 1.35 -1.52 -2.00 112.91 110.58 3kj2 h THR 280 Ca 0.00 -0.07 -0.19 0.00 -0.55 0.00 0.00 66.41 65.60 3kj2 h THR 280 Cb 0.38 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.94 3kj2 h THR 280 CO -0.04 0.04 -0.90 0.16 -0.25 0.00 0.00 175.52 174.53 3kj2 h ILE 281 N 0.21 1.59 -2.27 6.82 3.07 -1.52 -3.44 117.51 121.97 3kj2 h ILE 281 Ca 0.47 -2.91 -0.07 0.00 1.55 0.00 0.00 64.86 63.90 3kj2 h ILE 281 Cb 0.87 2.60 -0.21 0.00 -0.27 0.00 0.00 36.82 39.81 3kj2 h ILE 281 CO -0.60 0.84 0.02 0.21 -1.05 0.00 0.00 178.15 177.56 3kj2 s ASN 282 N -6.82 -0.60 0.00 2.16 2.47 -0.76 -5.06 114.94 106.33 3kj2 s ASN 282 Ca -0.01 1.02 0.26 0.00 0.42 0.00 0.00 52.86 54.56 3kj2 s ASN 282 Cb 0.10 1.02 0.70 0.00 -1.45 0.00 0.00 41.25 41.63 3kj2 s ASN 282 CO 0.81 -0.32 1.54 0.00 -3.72 0.00 0.00 177.10 175.41 3kj2 n GLN 283 N 2.24 1.21 -0.65 0.43 1.13 -1.18 -3.73 117.38 116.83 3kj2 n GLN 283 Ca -0.15 -0.78 0.07 0.00 -1.94 0.00 0.00 57.00 54.19 3kj2 n GLN 283 Cb 0.56 -1.48 0.33 0.00 0.11 0.00 0.00 30.24 29.75 3kj2 n GLN 283 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3kj2 n GLU 284 N -0.21 3.84 -2.56 -1.09 1.02 -1.26 -4.93 120.64 115.44 3kj2 n GLU 284 Ca 0.14 -2.56 -0.43 0.00 -0.02 0.00 0.00 57.16 54.29 3kj2 n GLU 284 Cb 0.38 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 3kj2 n GLU 284 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3kj2 s SER 285 N -0.74 6.91 0.29 1.62 0.01 -1.24 -5.01 113.70 115.54 3kj2 s SER 285 Ca 0.45 1.25 -0.29 0.00 1.31 0.00 0.00 55.95 58.67 3kj2 s SER 285 Cb 0.32 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.91 3kj2 s SER 285 CO 0.17 -0.86 1.35 0.00 0.41 0.00 0.00 173.24 174.31 3kj2 n ILE 287 N 1.54 0.00 0.03 0.00 -6.64 -1.26 -4.39 119.36 108.64 3kj2 n ILE 287 Ca 0.03 -0.10 -0.10 0.00 -1.77 0.00 0.00 62.75 60.80 3kj2 n ILE 287 Cb 0.41 0.03 -0.04 0.00 -1.44 0.00 0.00 39.64 38.61 3kj2 n ILE 287 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 3kj2 h GLU 288 N 0.97 -0.20 -0.79 6.28 4.81 -1.94 -0.07 114.58 123.63 3kj2 h GLU 288 Ca 0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3kj2 h GLU 288 Cb 0.35 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3kj2 h GLU 288 CO 0.00 -0.13 0.52 -1.35 -0.73 0.00 0.00 179.01 177.31 3kj2 h PRO 289 N -0.21 0.73 -0.11 0.92 0.11 -1.82 0.10 132.00 131.72 3kj2 h PRO 289 Ca 0.06 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 3kj2 h PRO 289 Cb 0.30 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3kj2 h PRO 289 CO -0.17 0.48 -0.08 1.25 -0.21 0.00 0.00 178.00 179.28 3kj2 h LEU 290 N 0.75 0.26 -1.15 2.35 5.85 -1.55 -2.14 115.31 119.68 3kj2 h LEU 290 Ca 0.36 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kj2 h LEU 290 Cb 0.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3kj2 h LEU 290 CO -0.14 0.65 0.19 0.00 -0.34 0.00 0.00 178.44 178.80 3kj2 h ALA 291 N 0.62 1.33 -0.22 1.25 0.00 -0.49 -2.32 119.26 119.43 3kj2 h ALA 291 Ca 0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3kj2 h ALA 291 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kj2 h ALA 291 CO 0.02 0.49 -0.47 0.93 0.00 0.00 0.00 179.25 180.22 3kj2 h GLU 292 N 0.77 0.58 -0.68 0.00 5.08 -0.79 -0.60 114.58 118.93 3kj2 h GLU 292 Ca 0.18 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3kj2 h GLU 292 Cb 0.19 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3kj2 h GLU 292 CO -0.01 0.92 0.15 1.03 -1.00 0.00 0.00 179.01 180.10 3kj2 h SER 293 N 0.46 1.05 -0.10 1.42 0.87 -1.01 0.36 113.55 116.60 3kj2 h SER 293 Ca 0.03 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 3kj2 h SER 293 Cb 0.99 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3kj2 h SER 293 CO 0.09 1.02 -0.26 0.40 -0.53 0.00 0.00 176.83 177.56 3kj2 h ILE 294 N 1.03 1.40 -0.75 2.23 2.04 -1.31 -2.93 117.51 119.21 3kj2 h ILE 294 Ca 0.21 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 3kj2 h ILE 294 Cb 0.39 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3kj2 h ILE 294 CO 0.01 0.46 0.38 0.74 0.00 0.00 0.00 178.15 179.74 3kj2 h THR 295 N -0.11 1.24 -0.49 -0.27 2.02 -1.06 -2.30 112.91 111.94 3kj2 h THR 295 Ca -0.00 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.56 3kj2 h THR 295 Cb 0.87 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3kj2 h THR 295 CO 0.06 0.27 0.29 -0.78 0.37 0.00 0.00 175.52 175.73 3kj2 h ASP 296 N 1.05 0.48 0.28 4.18 1.82 -0.95 -0.42 116.42 122.85 3kj2 h ASP 296 Ca 0.26 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.89 3kj2 h ASP 296 Cb 0.08 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.00 3kj2 h ASP 296 CO -0.04 0.34 -0.13 0.58 -1.61 0.00 0.00 179.24 178.38 3kj2 h VAL 297 N 0.59 0.76 0.29 2.25 2.07 -1.32 -1.83 116.25 119.06 3kj2 h VAL 297 Ca 0.20 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3kj2 h VAL 297 Cb 0.02 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kj2 h VAL 297 CO -0.09 0.07 -0.14 -0.07 0.02 0.00 0.00 177.57 177.36 3kj2 h LEU 298 N -0.53 -0.34 -0.24 2.57 3.38 -1.27 -1.48 115.31 117.40 3kj2 h LEU 298 Ca -0.04 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 3kj2 h LEU 298 Cb 0.39 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3kj2 h LEU 298 CO 0.06 -0.24 -0.90 0.58 0.09 0.00 0.00 178.44 178.04 3kj2 h VAL 299 N -0.39 1.57 0.16 1.22 2.07 -1.16 -1.82 116.25 117.90 3kj2 h VAL 299 Ca -0.04 -2.86 -0.35 0.00 0.82 0.00 0.00 66.70 64.27 3kj2 h VAL 299 Cb 0.30 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3kj2 h VAL 299 CO 0.06 0.82 -1.78 -0.09 0.02 0.00 0.00 177.57 176.61 3kj2 h ARG 300 N 0.04 0.35 0.00 1.57 2.43 -1.37 -2.75 114.38 114.65 3kj2 h ARG 300 Ca -0.03 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3kj2 h ARG 300 Cb 1.56 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 3kj2 h ARG 300 CO 0.13 1.26 -1.00 0.25 -1.51 0.00 0.00 179.97 179.09 3kj2 n THR 301 N -3.54 0.27 -1.49 0.20 -2.24 -0.56 -4.12 114.28 102.80 3kj2 n THR 301 Ca -0.25 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.28 3kj2 n THR 301 Cb 1.07 0.04 0.13 0.00 -2.10 0.00 0.00 70.33 69.46 3kj2 n THR 301 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kj2 n LYS 302 N -2.13 1.05 -0.25 -0.78 4.76 -0.68 -4.91 118.16 115.22 3kj2 n LYS 302 Ca 0.02 -2.48 -0.07 0.00 -2.87 0.00 0.00 58.31 52.90 3kj2 n LYS 302 Cb 0.46 -1.24 -0.06 0.00 -1.84 0.00 0.00 35.03 32.35 3kj2 n LYS 302 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kj2 h ARG 303 N 0.37 -0.03 -0.06 1.97 9.65 -1.59 -0.94 114.38 123.74 3kj2 h ARG 303 Ca -0.02 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 3kj2 h ARG 303 Cb 1.14 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 3kj2 h ARG 303 CO 0.01 -0.02 -0.38 -0.44 2.80 0.00 0.00 179.97 181.94 3kj2 h ASP 304 N -0.03 0.13 -0.48 -3.80 3.32 -1.91 -2.12 116.42 111.54 3kj2 h ASP 304 Ca 0.10 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3kj2 h ASP 304 Cb 0.28 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3kj2 h ASP 304 CO -0.58 0.51 0.16 -0.25 -1.72 0.00 0.00 179.24 177.36 3kj2 h TRP 305 N 0.11 0.75 -0.06 4.55 7.01 -1.75 -1.72 115.95 124.85 3kj2 h TRP 305 Ca 0.01 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 3kj2 h TRP 305 Cb 0.73 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 3kj2 h TRP 305 CO 0.01 0.66 0.02 -0.07 -2.79 0.00 0.00 178.44 176.26 3kj2 h LEU 306 N 0.63 0.08 -0.74 0.65 3.38 -0.85 -2.32 115.31 116.14 3kj2 h LEU 306 Ca 0.16 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kj2 h LEU 306 Cb 0.24 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3kj2 h LEU 306 CO -0.01 0.22 0.42 0.58 0.09 0.00 0.00 178.44 179.74 3kj2 h VAL 307 N -0.07 0.95 0.00 1.22 2.07 -1.33 0.13 116.25 119.22 3kj2 h VAL 307 Ca 0.02 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3kj2 h VAL 307 Cb 0.17 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kj2 h VAL 307 CO -0.00 0.14 -0.18 0.50 0.02 0.00 0.00 177.57 178.05 3kj2 h LYS 308 N 0.75 0.00 -0.27 1.57 3.64 -1.20 -1.62 116.57 119.44 3kj2 h LYS 308 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3kj2 h LYS 308 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3kj2 h LYS 308 CO -0.21 0.18 0.00 1.04 -2.27 0.00 0.00 179.45 178.19 3kj2 n GLN 309 N -4.03 1.66 -2.46 1.90 1.13 -0.10 -4.88 117.38 110.60 3kj2 n GLN 309 Ca -0.02 -1.02 -0.17 0.00 -1.94 0.00 0.00 57.00 53.84 3kj2 n GLN 309 Cb 0.26 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.36 3kj2 n GLN 309 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kj2 n ARG 310 N 0.32 -2.03 0.00 -1.09 5.12 -0.61 -2.57 116.66 115.81 3kj2 n ARG 310 Ca 0.11 0.79 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 3kj2 n ARG 310 Cb 0.25 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.32 3kj2 n ARG 310 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kj2 n GLY 311 N -1.11 3.90 0.03 -0.13 0.00 0.25 -2.30 105.19 105.83 3kj2 n GLY 311 Ca -0.17 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3kj2 n GLY 311 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kj2 n TRP 312 N 14.00 0.26 0.08 1.61 7.02 -1.26 -2.68 117.44 136.46 3kj2 n TRP 312 Ca 0.00 0.08 -0.08 0.00 -1.02 0.00 0.00 57.50 56.48 3kj2 n TRP 312 Cb 0.00 -0.60 0.04 0.00 -2.42 0.00 0.00 31.31 28.32 3kj2 n TRP 312 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kj2 h ASP 313 N 0.00 0.32 -0.42 -0.99 3.32 -1.73 -1.16 116.42 115.76 3kj2 h ASP 313 Ca 0.00 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.70 3kj2 h ASP 313 Cb 0.57 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3kj2 h ASP 313 CO 0.00 0.96 -0.20 1.23 -1.72 0.00 0.00 179.24 179.51 3kj2 h GLY 314 N 1.59 1.00 0.87 2.75 0.00 -1.27 0.57 103.07 108.58 3kj2 h GLY 314 Ca -0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 3kj2 h GLY 314 CO 0.12 0.78 -0.34 -2.75 0.00 0.00 0.00 176.54 174.36 3kj2 h PHE 315 N 0.80 -0.89 -0.54 5.60 3.57 -1.43 -0.07 116.94 123.97 3kj2 h PHE 315 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 3kj2 h PHE 315 Cb 0.76 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 3kj2 h PHE 315 CO 0.05 -0.52 0.18 0.28 -2.23 0.00 0.00 178.31 176.07 3kj2 h VAL 316 N -0.85 0.79 -0.36 1.41 2.07 -1.16 -2.58 116.25 115.56 3kj2 h VAL 316 Ca -0.07 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kj2 h VAL 316 Cb 0.69 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3kj2 h VAL 316 CO 0.08 0.06 0.17 -0.08 0.02 0.00 0.00 177.57 177.82 3kj2 h GLU 317 N 0.36 0.52 -0.77 1.57 4.57 -0.72 -2.15 114.58 117.96 3kj2 h GLU 317 Ca 0.27 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 3kj2 h GLU 317 Cb 0.31 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 3kj2 h GLU 317 CO -0.28 0.47 0.41 0.35 -1.18 0.00 0.00 179.01 178.79 3kj2 h PHE 318 N 0.45 1.06 -0.44 0.92 3.57 -0.75 -2.48 116.94 119.27 3kj2 h PHE 318 Ca 0.12 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3kj2 h PHE 318 Cb 0.12 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3kj2 h PHE 318 CO -0.01 0.75 0.00 1.19 -2.23 0.00 0.00 178.31 178.00 3kj2 n PHE 319 N -4.43 0.73 -2.40 0.41 3.72 -0.99 -4.88 117.46 109.62 3kj2 n PHE 319 Ca 0.07 -0.33 -0.43 0.00 -0.05 0.00 0.00 57.45 56.71 3kj2 n PHE 319 Cb 0.10 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 3kj2 n PHE 319 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3kj2 s HIS 320 N -1.51 2.68 0.02 1.38 2.46 -0.82 -5.01 115.29 114.49 3kj2 s HIS 320 Ca 0.31 0.88 0.02 0.00 0.47 0.00 0.00 55.06 56.74 3kj2 s HIS 320 Cb 0.18 -3.79 -0.04 0.00 -0.13 0.00 0.00 32.58 28.80 3kj2 s HIS 320 CO 0.19 -1.82 0.01 0.14 -2.47 0.00 0.00 174.74 170.79 3kj2 s VAL 321 N 4.17 4.16 -2.49 0.89 -7.23 -1.26 -5.05 120.40 113.59 3kj2 s VAL 321 Ca 0.57 -0.68 0.20 0.00 -1.81 0.00 0.00 61.98 60.26 3kj2 s VAL 321 Cb -0.19 -2.89 0.16 0.00 0.56 0.00 0.00 36.38 34.02 3kj2 s VAL 321 CO 0.21 0.31 1.13 -0.62 -0.31 0.00 0.00 175.10 175.82