#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqk s PRO 190 N 0.00 4.12 -0.43 -1.46 0.04 -1.26 -4.92 135.00 131.10 3kqk s PRO 190 Ca 0.00 1.47 -0.43 0.00 0.04 0.00 0.00 61.00 62.08 3kqk s PRO 190 Cb 0.00 -2.47 -0.18 0.00 0.04 0.00 0.00 34.50 31.89 3kqk s PRO 190 CO 0.00 -0.17 1.83 -2.30 0.04 0.00 0.00 177.00 176.40 3kqk n PRO 191 N -0.21 0.42 -1.55 0.56 -0.02 -1.26 -4.87 135.00 128.08 3kqk n PRO 191 Ca 0.06 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.31 3kqk n PRO 191 Cb 0.50 -1.76 0.06 0.00 -0.02 0.00 0.00 33.50 32.28 3kqk n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kqk n ALA 192 N 5.82 0.04 -2.60 3.55 0.00 -1.26 -4.92 120.51 121.12 3kqk n ALA 192 Ca 0.37 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 3kqk n ALA 192 Cb 0.03 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 3kqk n ALA 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kqk s VAL 193 N -1.60 4.60 1.00 0.00 1.01 -1.26 -5.04 120.40 119.11 3kqk s VAL 193 Ca 0.76 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 3kqk s VAL 193 Cb -0.39 -4.39 0.19 0.00 0.00 0.00 0.00 36.38 31.79 3kqk s VAL 193 CO 0.47 -0.85 1.08 -2.16 0.00 0.00 0.00 175.10 173.64 3kqk s PRO 194 N 3.41 0.40 0.02 2.72 0.04 -1.26 -4.98 135.00 135.34 3kqk s PRO 194 Ca 0.28 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 3kqk s PRO 194 Cb -0.13 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.56 3kqk s PRO 194 CO 0.20 -2.83 1.12 1.96 0.04 0.00 0.00 177.00 177.49 3kqk h GLN 195 N -1.98 -0.88 -7.03 4.56 1.08 -1.96 -3.45 115.11 105.46 3kqk h GLN 195 Ca -0.54 0.06 -0.49 0.00 -1.45 0.00 0.00 58.65 56.24 3kqk h GLN 195 Cb 1.31 0.20 0.04 0.00 -0.05 0.00 0.00 27.48 28.98 3kqk h GLN 195 CO 0.53 -0.58 0.16 0.95 -0.95 0.00 0.00 178.83 178.93 3kqk s THR 196 N -4.59 4.48 0.15 -0.54 -4.23 -1.26 -4.98 115.64 104.67 3kqk s THR 196 Ca -0.13 0.19 -0.32 0.00 -1.18 0.00 0.00 61.69 60.25 3kqk s THR 196 Cb 0.01 -3.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.01 3kqk s THR 196 CO 0.40 -0.75 1.79 0.33 -0.54 0.00 0.00 174.62 175.85 3kqk n PHE 197 N -2.41 2.65 -4.03 3.99 7.35 -1.26 -4.84 117.46 118.92 3kqk n PHE 197 Ca 0.02 -0.06 -0.08 0.00 -0.76 0.00 0.00 57.45 56.57 3kqk n PHE 197 Cb 0.56 -2.70 -0.10 0.00 0.35 0.00 0.00 39.48 37.58 3kqk n PHE 197 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3kqk s GLN 198 N 2.11 0.48 -0.24 -4.13 -1.52 -1.16 -4.99 119.66 110.22 3kqk s GLN 198 Ca 0.80 -0.91 -0.03 0.00 -1.95 0.00 0.00 55.36 53.27 3kqk s GLN 198 Cb -0.50 0.17 0.01 0.00 -0.22 0.00 0.00 33.01 32.46 3kqk s GLN 198 CO 0.36 -0.09 -0.04 0.08 -0.25 0.00 0.00 175.29 175.35 3kqk s VAL 199 N -2.71 3.24 0.12 1.09 1.01 -1.26 -1.95 120.40 119.95 3kqk s VAL 199 Ca -0.04 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 61.32 3kqk s VAL 199 Cb -0.01 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3kqk s VAL 199 CO -0.06 0.30 -0.26 0.00 0.00 0.00 0.00 175.10 175.08 3kqk s ALA 200 N 1.42 2.39 0.47 5.51 0.00 0.58 -4.97 121.76 127.16 3kqk s ALA 200 Ca 0.03 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3kqk s ALA 200 Cb -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3kqk s ALA 200 CO -0.03 0.54 0.68 -1.01 0.00 0.00 0.00 175.76 175.95 3kqk s HIS 201 N -1.05 3.13 -0.29 0.00 3.76 -1.26 -0.98 115.29 118.59 3kqk s HIS 201 Ca 0.14 0.15 0.03 0.00 -0.15 0.00 0.00 55.06 55.23 3kqk s HIS 201 Cb -0.10 -2.40 0.17 0.00 1.11 0.00 0.00 32.58 31.36 3kqk s HIS 201 CO 0.06 -0.46 0.45 -1.17 -0.85 0.00 0.00 174.74 172.77 3kqk s LEU 202 N -4.58 -0.96 -0.33 0.89 2.96 -1.11 -4.79 118.68 110.76 3kqk s LEU 202 Ca 0.50 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 54.09 3kqk s LEU 202 Cb -0.10 1.31 0.01 0.00 0.50 0.00 0.00 46.19 47.91 3kqk s LEU 202 CO 0.38 -0.34 0.16 -1.00 -1.32 0.00 0.00 176.35 174.22 3kqk s HIS 203 N 2.61 3.20 -0.08 5.38 3.76 -1.26 -2.22 115.29 126.68 3kqk s HIS 203 Ca 0.10 -0.79 -0.07 0.00 -0.15 0.00 0.00 55.06 54.16 3kqk s HIS 203 Cb -0.12 -2.36 0.02 0.00 1.11 0.00 0.00 32.58 31.23 3kqk s HIS 203 CO -0.29 -0.54 0.20 0.00 -0.85 0.00 0.00 174.74 173.26 3kqk s ALA 204 N 1.57 -0.49 1.04 -1.40 0.00 -1.15 -5.03 121.76 116.29 3kqk s ALA 204 Ca 0.03 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 3kqk s ALA 204 Cb -0.18 -0.34 0.21 0.00 0.00 0.00 0.00 23.12 22.81 3kqk s ALA 204 CO 0.06 -0.10 1.10 -1.25 0.00 0.00 0.00 175.76 175.57 3kqk s PRO 205 N 0.19 0.12 -0.92 0.00 0.04 -1.26 -3.98 135.00 129.20 3kqk s PRO 205 Ca -0.01 0.35 -0.08 0.00 0.04 0.00 0.00 61.00 61.30 3kqk s PRO 205 Cb -0.02 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3kqk s PRO 205 CO -0.00 -2.90 0.69 2.41 0.04 0.00 0.00 177.00 177.23 3kqk n THR 206 N -4.27 -5.72 -1.47 1.26 -1.04 -1.26 -4.70 114.28 97.07 3kqk n THR 206 Ca 0.07 -0.37 -0.53 0.00 -2.04 0.00 0.00 64.05 61.18 3kqk n THR 206 Cb 0.58 -4.29 -0.08 0.00 -1.82 0.00 0.00 70.33 64.72 3kqk n THR 206 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqk n GLY 207 N -1.72 0.52 0.33 3.41 0.00 -1.26 -4.21 105.19 102.26 3kqk n GLY 207 Ca -0.16 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3kqk n GLY 207 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqk n SER 208 N 8.74 0.00 0.11 1.61 3.41 -1.26 -4.97 113.62 121.25 3kqk n SER 208 Ca 0.40 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 3kqk n SER 208 Cb 0.19 0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 3kqk n SER 208 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kqk h GLY 209 N 0.00 0.00 1.75 5.00 0.00 -1.92 -3.19 103.07 104.72 3kqk h GLY 209 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3kqk h GLY 209 CO 0.00 0.00 0.09 0.07 0.00 0.00 0.00 176.54 176.71 3kqk h LYS 210 N 0.00 0.00 -0.12 4.80 2.10 -1.93 0.41 116.57 121.83 3kqk h LYS 210 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3kqk h LYS 210 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3kqk h LYS 210 CO 0.10 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.42 3kqk n SER 211 N -4.20 2.83 0.09 7.07 3.41 -1.21 -4.19 113.62 117.42 3kqk n SER 211 Ca -0.00 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3kqk n SER 211 Cb 0.21 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3kqk n SER 211 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kqk n THR 212 N 1.16 0.73 0.33 6.66 -2.24 -0.66 -4.75 114.28 115.52 3kqk n THR 212 Ca 0.13 0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 62.00 3kqk n THR 212 Cb 0.51 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 3kqk n THR 212 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kqk h LYS 213 N 0.00 -0.84 -0.22 -0.78 1.57 -0.48 -2.66 116.57 113.16 3kqk h LYS 213 Ca 0.00 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3kqk h LYS 213 Cb 0.02 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3kqk h LYS 213 CO 0.00 -0.53 -0.49 0.28 -0.57 0.00 0.00 179.45 178.14 3kqk h VAL 214 N -1.14 0.06 -0.27 0.50 2.07 -1.57 0.17 116.25 116.08 3kqk h VAL 214 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3kqk h VAL 214 Cb 0.70 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3kqk h VAL 214 CO 0.15 0.00 0.19 1.55 0.02 0.00 0.00 177.57 179.48 3kqk h PRO 215 N -0.49 0.04 -0.44 1.57 0.13 -1.73 -1.76 132.00 129.33 3kqk h PRO 215 Ca 0.07 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 3kqk h PRO 215 Cb 0.64 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3kqk h PRO 215 CO -0.48 0.03 -0.19 0.00 -0.23 0.00 0.00 178.00 177.13 3kqk h ALA 216 N 1.86 0.62 0.70 -0.56 0.00 -0.37 -2.56 119.26 118.95 3kqk h ALA 216 Ca 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kqk h ALA 216 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kqk h ALA 216 CO -0.01 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.34 3kqk h ALA 217 N 0.84 -1.19 -0.55 0.00 0.00 -0.14 -2.26 119.26 115.97 3kqk h ALA 217 Ca 0.10 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kqk h ALA 217 Cb 0.75 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 3kqk h ALA 217 CO 0.06 -1.19 -0.16 1.88 0.00 0.00 0.00 179.25 179.84 3kqk h TYR 218 N -1.12 -0.35 -0.18 0.00 0.05 -1.53 0.19 116.97 114.04 3kqk h TYR 218 Ca -0.09 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.79 3kqk h TYR 218 Cb 0.92 0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 3kqk h TYR 218 CO -0.14 -0.25 0.16 0.00 -1.05 0.00 0.00 178.16 176.87 3kqk h ALA 219 N 1.50 1.96 0.00 3.88 0.00 -1.28 0.22 119.26 125.54 3kqk h ALA 219 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kqk h ALA 219 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kqk h ALA 219 CO -0.58 -0.25 -0.17 0.00 0.00 0.00 0.00 179.25 178.25 3kqk h ALA 220 N 1.86 1.27 -0.62 0.00 0.00 -0.01 -2.21 119.26 119.54 3kqk h ALA 220 Ca 0.09 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3kqk h ALA 220 Cb 0.40 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 3kqk h ALA 220 CO -0.00 0.22 0.26 1.04 0.00 0.00 0.00 179.25 180.76 3kqk n GLN 221 N -3.68 3.06 -3.38 0.00 6.02 0.77 -4.89 117.38 115.27 3kqk n GLN 221 Ca -0.02 -2.44 -0.19 0.00 -0.01 0.00 0.00 57.00 54.35 3kqk n GLN 221 Cb 0.29 -2.02 0.07 0.00 1.02 0.00 0.00 30.24 29.60 3kqk n GLN 221 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqk n GLY 222 N -0.14 -0.26 3.68 1.08 0.00 -0.83 -5.01 105.19 103.70 3kqk n GLY 222 Ca 0.34 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 3kqk n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqk s TYR 223 N -3.26 3.00 -0.23 1.61 2.02 -1.14 -5.03 117.35 114.32 3kqk s TYR 223 Ca 0.46 -0.00 -0.14 0.00 -0.37 0.00 0.00 57.07 57.02 3kqk s TYR 223 Cb -0.20 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3kqk s TYR 223 CO 0.59 0.47 0.33 0.15 -1.57 0.00 0.00 175.55 175.52 3kqk s LYS 224 N -2.06 4.10 -0.00 -0.62 1.02 -1.26 -4.25 119.74 116.66 3kqk s LYS 224 Ca 0.24 0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.32 3kqk s LYS 224 Cb -0.12 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 3kqk s LYS 224 CO 0.16 -0.09 -0.21 0.08 -0.92 0.00 0.00 175.35 174.37 3kqk s VAL 225 N 1.49 1.63 -0.17 3.17 1.01 0.78 -0.96 120.40 127.34 3kqk s VAL 225 Ca 0.15 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3kqk s VAL 225 Cb -0.15 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.89 3kqk s VAL 225 CO 0.08 0.40 -0.17 -0.22 0.00 0.00 0.00 175.10 175.19 3kqk s LEU 226 N -0.63 2.01 -0.33 3.92 2.96 -0.45 -0.44 118.68 125.71 3kqk s LEU 226 Ca 0.08 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 3kqk s LEU 226 Cb -0.08 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.31 3kqk s LEU 226 CO -0.00 -0.04 0.09 -0.69 -1.32 0.00 0.00 176.35 174.39 3kqk s VAL 227 N 1.37 3.67 -0.09 1.68 1.01 0.70 -0.01 120.40 128.72 3kqk s VAL 227 Ca 0.04 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 3kqk s VAL 227 Cb -0.13 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3kqk s VAL 227 CO -0.11 -0.17 0.43 -0.76 0.00 0.00 0.00 175.10 174.49 3kqk s LEU 228 N 1.38 4.32 -0.00 3.92 1.43 0.39 -1.74 118.68 128.38 3kqk s LEU 228 Ca -0.02 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3kqk s LEU 228 Cb -0.20 -2.62 -0.00 0.00 0.03 0.00 0.00 46.19 43.40 3kqk s LEU 228 CO 0.02 0.10 -0.04 0.21 0.23 0.00 0.00 176.35 176.86 3kqk s ASN 229 N 0.18 0.52 0.11 2.29 3.84 0.31 -1.01 114.94 121.19 3kqk s ASN 229 Ca 0.24 -0.09 -0.16 0.00 0.21 0.00 0.00 52.86 53.06 3kqk s ASN 229 Cb -0.15 -0.06 -0.04 0.00 -0.55 0.00 0.00 41.25 40.45 3kqk s ASN 229 CO 0.10 0.05 1.55 1.55 -2.79 0.00 0.00 177.10 177.56 3kqk h PRO 230 N 6.01 0.62 -6.87 0.43 0.13 -1.87 -2.77 132.00 127.69 3kqk h PRO 230 Ca -0.27 -0.20 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 3kqk h PRO 230 Cb 1.19 -0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.31 3kqk h PRO 230 CO 0.50 0.75 0.50 0.45 -0.23 0.00 0.00 178.00 179.97 3kqk s SER 231 N -6.14 6.94 0.04 1.44 0.15 -1.26 -4.63 113.70 110.24 3kqk s SER 231 Ca -0.13 2.33 -0.09 0.00 0.70 0.00 0.00 55.95 58.76 3kqk s SER 231 Cb 0.09 -2.62 -0.31 0.00 -1.71 0.00 0.00 66.02 61.47 3kqk s SER 231 CO 0.78 -0.38 1.01 0.58 1.20 0.00 0.00 173.24 176.43 3kqk h VAL 232 N 2.79 1.33 -0.45 4.45 2.07 -2.00 -2.74 116.25 121.69 3kqk h VAL 232 Ca -0.48 -2.85 -0.00 0.00 0.82 0.00 0.00 66.70 64.19 3kqk h VAL 232 Cb 1.22 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.91 3kqk h VAL 232 CO 0.65 0.85 0.28 0.00 0.02 0.00 0.00 177.57 179.37 3kqk h ALA 233 N 0.38 0.58 0.57 1.67 0.00 -1.99 -1.45 119.26 119.02 3kqk h ALA 233 Ca -0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3kqk h ALA 233 Cb 2.06 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.67 3kqk h ALA 233 CO 0.22 0.06 -0.27 0.00 0.00 0.00 0.00 179.25 179.26 3kqk h ALA 234 N 1.14 -0.76 -1.05 0.00 0.00 -1.97 0.32 119.26 116.94 3kqk h ALA 234 Ca 0.16 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.20 3kqk h ALA 234 Cb -0.03 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 3kqk h ALA 234 CO -0.03 -0.83 0.63 1.15 0.00 0.00 0.00 179.25 180.16 3kqk h THR 235 N -0.95 0.34 -0.03 0.00 2.02 -1.30 0.66 112.91 113.64 3kqk h THR 235 Ca -0.08 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 66.78 3kqk h THR 235 Cb 0.64 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3kqk h THR 235 CO 0.13 0.06 -0.77 -0.07 0.37 0.00 0.00 175.52 175.23 3kqk h LEU 236 N 0.34 0.74 -0.22 2.58 3.38 -1.01 -3.20 115.31 117.91 3kqk h LEU 236 Ca 0.72 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3kqk h LEU 236 Cb 1.72 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 3kqk h LEU 236 CO -0.52 1.36 -0.18 1.23 0.09 0.00 0.00 178.44 180.41 3kqk h GLY 237 N 0.19 -0.06 1.04 0.83 0.00 0.43 -2.06 103.07 103.43 3kqk h GLY 237 Ca -0.09 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.53 3kqk h GLY 237 CO 0.15 -0.17 0.50 0.74 0.00 0.00 0.00 176.54 177.76 3kqk h PHE 238 N -0.19 0.83 -0.20 5.60 0.04 -1.22 -2.30 116.94 119.50 3kqk h PHE 238 Ca 0.13 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.96 3kqk h PHE 238 Cb 0.38 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 3kqk h PHE 238 CO -0.33 0.45 -0.04 0.78 -0.60 0.00 0.00 178.31 178.56 3kqk h GLY 239 N 0.83 0.15 1.17 -1.45 0.00 -1.37 -0.38 103.07 102.02 3kqk h GLY 239 Ca 0.32 0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 3kqk h GLY 239 CO -0.11 -0.07 -0.34 0.00 0.00 0.00 0.00 176.54 176.02 3kqk h ALA 240 N 1.19 0.64 -0.27 3.60 0.00 -1.38 -3.16 119.26 119.88 3kqk h ALA 240 Ca 0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kqk h ALA 240 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kqk h ALA 240 CO -0.20 0.67 0.14 -0.92 0.00 0.00 0.00 179.25 178.95 3kqk h TYR 241 N 0.76 0.38 -0.76 0.00 5.03 -1.13 -2.55 116.97 118.69 3kqk h TYR 241 Ca 0.07 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.48 3kqk h TYR 241 Cb 0.93 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 3kqk h TYR 241 CO 0.06 0.33 0.50 0.52 -1.32 0.00 0.00 178.16 178.24 3kqk h MET 242 N 0.32 0.57 0.77 1.82 2.86 -1.11 0.36 114.93 120.53 3kqk h MET 242 Ca 0.09 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3kqk h MET 242 Cb 0.08 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.62 3kqk h MET 242 CO -0.01 0.38 -0.39 0.77 1.06 0.00 0.00 176.91 178.71 3kqk h SER 243 N 0.59 -0.94 0.96 1.22 0.02 -1.12 0.94 113.55 115.23 3kqk h SER 243 Ca 0.36 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 3kqk h SER 243 Cb 0.60 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3kqk h SER 243 CO -0.13 -0.65 -0.20 0.11 -1.14 0.00 0.00 176.83 174.82 3kqk h LYS 244 N -1.06 0.00 0.00 3.45 1.57 -1.37 0.32 116.57 119.48 3kqk h LYS 244 Ca -0.11 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.42 3kqk h LYS 244 Cb 0.82 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 3kqk h LYS 244 CO 0.16 0.20 -1.53 0.00 -0.57 0.00 0.00 179.45 177.71 3kqk h ALA 245 N 1.80 0.70 0.00 3.86 0.00 -0.23 -3.39 119.26 122.00 3kqk h ALA 245 Ca -0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 54.91 53.65 3kqk h ALA 245 Cb 0.73 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kqk h ALA 245 CO 0.03 1.39 -0.38 0.72 0.00 0.00 0.00 179.25 181.01 3kqk n HIS 246 N -3.05 0.00 -1.84 0.00 8.25 0.32 -5.01 115.22 113.89 3kqk n HIS 246 Ca -0.13 -0.28 -0.11 0.00 -0.26 0.00 0.00 57.72 56.94 3kqk n HIS 246 Cb 0.99 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.99 3kqk n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqk n GLY 247 N -0.38 0.33 3.09 -1.41 0.00 0.11 -4.94 105.19 102.00 3kqk n GLY 247 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3kqk n GLY 247 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kqk s ILE 248 N -2.21 1.36 -0.66 -0.61 -4.36 -1.19 -4.98 121.20 108.54 3kqk s ILE 248 Ca 0.00 -0.64 -0.22 0.00 -0.26 0.00 0.00 60.65 59.53 3kqk s ILE 248 Cb 0.00 -1.19 0.08 0.00 1.25 0.00 0.00 42.46 42.59 3kqk s ILE 248 CO 0.00 0.40 0.93 -1.81 0.24 0.00 0.00 174.94 174.70 3kqk s ASP 249 N 0.35 6.20 0.85 4.36 1.11 -1.26 -2.45 116.67 125.82 3kqk s ASP 249 Ca -0.10 -1.13 -0.11 0.00 0.18 0.00 0.00 52.55 51.39 3kqk s ASP 249 Cb -0.14 -2.40 0.10 0.00 1.07 0.00 0.00 42.92 41.56 3kqk s ASP 249 CO 0.04 -1.37 1.09 -2.16 1.18 0.00 0.00 175.17 173.95 3kqk s PRO 250 N 3.75 1.62 0.16 8.23 0.04 -1.26 -4.46 135.00 143.07 3kqk s PRO 250 Ca 0.21 0.88 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 3kqk s PRO 250 Cb -0.18 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3kqk s PRO 250 CO 0.08 -2.01 0.82 -0.80 0.04 0.00 0.00 177.00 175.13 3kqk s ASN 251 N -3.48 7.42 -0.14 6.66 0.01 -0.49 -4.69 114.94 120.22 3kqk s ASN 251 Ca 0.62 1.68 0.01 0.00 -0.71 0.00 0.00 52.86 54.47 3kqk s ASN 251 Cb -0.17 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3kqk s ASN 251 CO 0.56 0.16 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.49 3kqk s ILE 252 N -0.92 2.39 -0.26 0.60 -1.09 0.23 0.10 121.20 122.25 3kqk s ILE 252 Ca 0.38 -0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 3kqk s ILE 252 Cb -0.23 -1.98 0.08 0.00 -1.58 0.00 0.00 42.46 38.74 3kqk s ILE 252 CO 0.27 0.53 0.04 -0.13 -1.23 0.00 0.00 174.94 174.42 3kqk s ARG 253 N 0.75 0.98 0.24 2.79 0.52 -0.12 0.11 118.95 124.23 3kqk s ARG 253 Ca -0.07 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 3kqk s ARG 253 Cb -0.16 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3kqk s ARG 253 CO 0.00 -0.78 0.13 0.95 0.02 0.00 0.00 175.30 175.62 3kqk s THR 254 N 1.59 0.24 0.11 0.02 -4.23 -1.07 -2.58 115.64 109.72 3kqk s THR 254 Ca 0.02 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.25 3kqk s THR 254 Cb -0.18 -2.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 3kqk s THR 254 CO -0.14 0.00 1.63 1.23 -0.54 0.00 0.00 174.62 176.80 3kqk h GLY 255 N 2.46 -0.63 0.00 3.99 0.00 -1.95 -3.36 103.07 103.58 3kqk h GLY 255 Ca -0.36 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kqk h GLY 255 CO 0.55 -0.25 0.00 3.33 0.00 0.00 0.00 176.54 180.17 3kqk n VAL 256 N -5.41 0.00 -4.02 4.60 0.24 -1.26 -4.87 118.33 107.60 3kqk n VAL 256 Ca -0.08 0.89 -0.36 0.00 -2.04 0.00 0.00 64.34 62.75 3kqk n VAL 256 Cb 0.32 -1.70 -0.07 0.00 -1.47 0.00 0.00 33.84 30.92 3kqk n VAL 256 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3kqk s ARG 257 N -1.44 3.29 -0.05 7.34 3.52 -1.26 -5.10 118.95 125.25 3kqk s ARG 257 Ca 0.00 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.38 3kqk s ARG 257 Cb 0.00 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 3kqk s ARG 257 CO 0.00 0.73 -0.15 0.99 -0.81 0.00 0.00 175.30 176.07 3kqk s THR 258 N -1.05 1.26 -0.09 4.11 2.01 -1.26 -2.58 115.64 118.04 3kqk s THR 258 Ca 0.17 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3kqk s THR 258 Cb -0.12 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.31 3kqk s THR 258 CO 0.06 0.37 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.65 3kqk s ILE 259 N 0.20 0.96 -0.20 1.82 1.01 0.31 -4.98 121.20 120.32 3kqk s ILE 259 Ca -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 3kqk s ILE 259 Cb -0.12 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 3kqk s ILE 259 CO 0.02 0.34 -0.09 -0.89 0.00 0.00 0.00 174.94 174.32 3kqk s THR 260 N 1.29 3.06 -0.05 2.92 2.01 -1.26 -0.60 115.64 123.00 3kqk s THR 260 Ca -0.03 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.41 3kqk s THR 260 Cb -0.14 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.94 3kqk s THR 260 CO -0.03 0.46 0.04 0.35 -0.69 0.00 0.00 174.62 174.75 3kqk n THR 261 N 4.55 0.32 -0.10 -0.82 -2.24 -1.26 -5.00 114.28 109.72 3kqk n THR 261 Ca -0.19 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3kqk n THR 261 Cb 0.51 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3kqk n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kqk n GLY 262 N 2.59 0.63 3.76 3.38 0.00 -1.26 -5.07 105.19 109.22 3kqk n GLY 262 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3kqk n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk s ALA 263 N -2.16 2.24 -1.61 4.61 0.00 -1.26 -4.92 121.76 118.66 3kqk s ALA 263 Ca 0.00 0.37 0.16 0.00 0.00 0.00 0.00 51.96 52.49 3kqk s ALA 263 Cb 0.00 -3.30 0.85 0.00 0.00 0.00 0.00 23.12 20.66 3kqk s ALA 263 CO 0.00 -1.74 1.42 -0.35 0.00 0.00 0.00 175.76 175.10 3kqk n PRO 264 N -3.30 0.31 -5.28 0.00 -0.04 -1.26 -4.67 135.00 120.77 3kqk n PRO 264 Ca 0.10 0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 3kqk n PRO 264 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 3kqk n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kqk s ILE 265 N -2.39 2.06 -0.07 0.52 1.01 -1.26 -0.16 121.20 120.92 3kqk s ILE 265 Ca 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.75 3kqk s ILE 265 Cb 0.11 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.87 3kqk s ILE 265 CO 0.22 0.57 -0.05 -0.89 0.00 0.00 0.00 174.94 174.79 3kqk s THR 266 N -0.30 0.69 -0.16 2.92 2.01 0.41 -1.39 115.64 119.82 3kqk s THR 266 Ca 0.01 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 3kqk s THR 266 Cb -0.13 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3kqk s THR 266 CO 0.02 0.29 0.05 -0.31 -0.69 0.00 0.00 174.62 173.98 3kqk s TYR 267 N 1.33 3.24 0.12 4.92 1.51 0.11 -0.22 117.35 128.37 3kqk s TYR 267 Ca -0.04 0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 3kqk s TYR 267 Cb -0.14 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 3kqk s TYR 267 CO -0.03 0.22 0.38 0.45 -1.11 0.00 0.00 175.55 175.46 3kqk s SER 268 N 0.10 -0.18 0.30 2.29 0.15 -0.71 -0.94 113.70 114.71 3kqk s SER 268 Ca 0.04 -0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.27 3kqk s SER 268 Cb -0.12 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 3kqk s SER 268 CO 0.01 -0.85 0.56 0.42 1.20 0.00 0.00 173.24 174.58 3kqk s THR 269 N -3.82 5.03 0.17 6.45 -4.23 -1.06 -0.53 115.64 117.64 3kqk s THR 269 Ca 0.04 -0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.41 3kqk s THR 269 Cb 0.02 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 70.17 3kqk s THR 269 CO -0.11 -0.36 1.79 1.88 -0.54 0.00 0.00 174.62 177.28 3kqk h TYR 270 N 1.53 0.70 -0.40 3.99 0.05 -1.75 -0.15 116.97 120.95 3kqk h TYR 270 Ca -0.48 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.38 3kqk h TYR 270 Cb 1.19 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.63 3kqk h TYR 270 CO 0.57 0.49 -0.14 0.78 -1.05 0.00 0.00 178.16 178.82 3kqk h GLY 271 N 0.70 0.22 1.69 3.88 0.00 -1.87 0.53 103.07 108.22 3kqk h GLY 271 Ca 0.19 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 3kqk h GLY 271 CO -0.03 -0.17 -0.22 1.70 0.00 0.00 0.00 176.54 177.82 3kqk h LYS 272 N -0.05 0.37 -0.18 4.80 1.63 -1.80 -1.27 116.57 120.07 3kqk h LYS 272 Ca 0.19 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3kqk h LYS 272 Cb 0.35 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 3kqk h LYS 272 CO -0.44 0.58 0.10 0.35 -3.45 0.00 0.00 179.45 176.59 3kqk h PHE 273 N 0.34 0.24 -0.43 1.91 3.57 0.61 -1.66 116.94 121.52 3kqk h PHE 273 Ca 0.06 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kqk h PHE 273 Cb 0.58 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3kqk h PHE 273 CO 0.01 0.23 0.18 -0.07 -2.23 0.00 0.00 178.31 176.44 3kqk h LEU 274 N 0.18 0.58 -2.76 0.59 3.38 -0.77 -1.87 115.31 114.65 3kqk h LEU 274 Ca 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kqk h LEU 274 Cb 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kqk h LEU 274 CO -0.01 0.58 -0.00 0.00 0.09 0.00 0.00 178.44 179.09 3kqk h ALA 275 N 1.03 1.08 -0.01 1.53 0.00 -0.98 -0.14 119.26 121.76 3kqk h ALA 275 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kqk h ALA 275 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kqk h ALA 275 CO -0.01 0.01 -0.09 -0.25 0.00 0.00 0.00 179.25 178.90 3kqk n ASP 276 N -3.20 1.35 0.00 0.00 8.00 -0.65 -4.91 116.55 117.15 3kqk n ASP 276 Ca -0.03 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3kqk n ASP 276 Cb 0.10 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3kqk n ASP 276 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kqk n GLY 277 N 1.24 0.44 1.79 0.44 0.00 -0.07 -4.96 105.19 104.07 3kqk n GLY 277 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3kqk n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqk n GLY 278 N -1.92 0.06 3.66 -0.02 0.00 -0.77 -4.93 105.19 101.27 3kqk n GLY 278 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3kqk n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk s SER 280 N 3.30 6.88 -0.28 0.00 1.04 -1.26 -4.91 113.70 118.47 3kqk s SER 280 Ca 0.74 1.06 -0.43 0.00 0.48 0.00 0.00 55.95 57.80 3kqk s SER 280 Cb -0.34 -2.38 -0.19 0.00 0.10 0.00 0.00 66.02 63.20 3kqk s SER 280 CO 0.30 -0.16 1.45 0.61 0.98 0.00 0.00 173.24 176.42 3kqk n GLY 281 N 3.31 0.17 3.33 7.32 0.00 -1.26 -3.09 105.19 114.96 3kqk n GLY 281 Ca -0.02 0.90 -0.29 0.00 0.00 0.00 0.00 46.02 46.61 3kqk n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqk n GLY 282 N 3.19 -0.33 0.00 -0.02 0.00 0.62 -4.93 105.19 103.73 3kqk n GLY 282 Ca 0.26 1.16 0.00 0.00 0.00 0.00 0.00 46.02 47.44 3kqk n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk n ALA 283 N -0.36 0.17 -3.12 4.61 0.00 -1.18 -5.08 120.51 115.55 3kqk n ALA 283 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3kqk n ALA 283 Cb 0.62 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 3kqk n ALA 283 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kqk s TYR 284 N -0.20 -0.18 -0.11 0.00 1.51 -1.26 -4.83 117.35 112.28 3kqk s TYR 284 Ca 0.00 0.41 0.14 0.00 -1.01 0.00 0.00 57.07 56.61 3kqk s TYR 284 Cb 0.00 0.06 -0.24 0.00 -0.11 0.00 0.00 41.96 41.67 3kqk s TYR 284 CO 0.00 -0.18 0.43 -0.25 -1.11 0.00 0.00 175.55 174.43 3kqk n ASP 285 N 2.47 0.63 -3.90 2.29 10.43 -0.14 -3.01 116.55 125.31 3kqk n ASP 285 Ca -0.16 0.25 -0.20 0.00 2.57 0.00 0.00 54.79 57.25 3kqk n ASP 285 Cb 0.58 0.28 -0.16 0.00 1.84 0.00 0.00 41.12 43.65 3kqk n ASP 285 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kqk s ILE 286 N -2.56 0.58 -0.23 0.53 1.01 -0.51 -0.44 121.20 119.58 3kqk s ILE 286 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3kqk s ILE 286 Cb 0.07 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 41.98 3kqk s ILE 286 CO 0.82 0.24 -0.13 -0.63 0.00 0.00 0.00 174.94 175.24 3kqk s ILE 287 N 0.92 2.29 -0.22 2.92 1.01 -0.61 -1.34 121.20 126.18 3kqk s ILE 287 Ca -0.11 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 3kqk s ILE 287 Cb -0.14 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3kqk s ILE 287 CO 0.00 0.19 0.26 -0.63 0.00 0.00 0.00 174.94 174.77 3kqk s ILE 288 N 1.21 5.29 -0.63 2.92 1.01 0.98 -1.19 121.20 130.79 3kqk s ILE 288 Ca -0.03 0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.90 3kqk s ILE 288 Cb -0.17 -3.60 0.16 0.00 0.01 0.00 0.00 42.46 38.86 3kqk s ILE 288 CO -0.07 0.30 0.55 0.00 0.00 0.00 0.00 174.94 175.73 3kqk s ASP 290 N 2.67 6.71 -1.44 0.00 3.68 -0.18 -1.57 116.67 126.55 3kqk s ASP 290 Ca 0.10 1.78 -0.08 0.00 2.13 0.00 0.00 52.55 56.48 3kqk s ASP 290 Cb -0.22 -2.55 0.04 0.00 -1.45 0.00 0.00 42.92 38.75 3kqk s ASP 290 CO -0.02 -0.52 0.64 -0.62 0.13 0.00 0.00 175.17 174.77 3kqk n GLU 291 N -0.79 -4.58 0.00 4.34 -0.58 -0.48 -4.60 120.64 113.96 3kqk n GLU 291 Ca 0.08 0.70 0.01 0.00 -0.42 0.00 0.00 57.16 57.52 3kqk n GLU 291 Cb 0.53 -5.52 0.04 0.00 -0.57 0.00 0.00 31.44 25.92 3kqk n GLU 291 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqk n HIS 293 N -0.84 0.18 -1.68 0.00 1.44 -1.26 -4.70 115.22 108.36 3kqk n HIS 293 Ca 0.01 0.05 -0.43 0.00 -2.01 0.00 0.00 57.72 55.34 3kqk n HIS 293 Cb 0.00 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 29.69 3kqk n HIS 293 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3kqk n SER 294 N -1.71 3.94 -2.21 4.39 7.64 -0.20 -4.88 113.62 120.59 3kqk n SER 294 Ca 0.05 0.97 -0.28 0.00 1.01 0.00 0.00 58.87 60.61 3kqk n SER 294 Cb 0.37 -1.51 0.13 0.00 -1.01 0.00 0.00 64.21 62.19 3kqk n SER 294 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kqk n THR 295 N 4.90 3.36 -3.70 0.44 -2.24 -1.26 -4.51 114.28 111.27 3kqk n THR 295 Ca 0.19 -2.54 -0.32 0.00 -2.27 0.00 0.00 64.05 59.11 3kqk n THR 295 Cb 0.37 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.73 3kqk n THR 295 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqk s ASP 296 N -1.71 6.49 0.18 3.42 1.47 -1.26 -4.95 116.67 120.31 3kqk s ASP 296 Ca 0.60 0.56 -0.21 0.00 1.18 0.00 0.00 52.55 54.69 3kqk s ASP 296 Cb 0.49 -2.08 0.12 0.00 -0.34 0.00 0.00 42.92 41.10 3kqk s ASP 296 CO 0.04 0.09 1.59 0.77 0.68 0.00 0.00 175.17 178.34 3kqk h SER 297 N 2.99 -1.08 -0.68 2.11 4.64 -1.93 -1.15 113.55 118.45 3kqk h SER 297 Ca -0.46 0.21 0.11 0.00 -0.47 0.00 0.00 61.79 61.18 3kqk h SER 297 Cb 1.17 0.54 -0.08 0.00 -0.31 0.00 0.00 62.40 63.71 3kqk h SER 297 CO 0.72 -0.30 0.27 0.74 -0.87 0.00 0.00 176.83 177.40 3kqk h THR 298 N -0.17 0.74 -0.14 2.95 2.02 -1.96 0.96 112.91 117.31 3kqk h THR 298 Ca 0.22 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 3kqk h THR 298 Cb 0.54 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3kqk h THR 298 CO -0.63 0.08 -0.03 0.74 0.37 0.00 0.00 175.52 176.05 3kqk h THR 299 N 0.45 1.29 -0.49 3.16 2.02 -1.73 -1.50 112.91 116.12 3kqk h THR 299 Ca 0.35 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3kqk h THR 299 Cb 0.46 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3kqk h THR 299 CO -0.34 0.28 0.32 0.40 0.37 0.00 0.00 175.52 176.55 3kqk h ILE 300 N -0.04 1.11 -0.19 3.11 2.04 -0.57 0.29 117.51 123.25 3kqk h ILE 300 Ca 0.03 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3kqk h ILE 300 Cb 0.45 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3kqk h ILE 300 CO 0.01 0.12 -0.25 0.25 0.00 0.00 0.00 178.15 178.28 3kqk h LEU 301 N 0.64 0.34 0.15 1.44 6.46 -0.84 0.00 115.31 123.52 3kqk h LEU 301 Ca 0.18 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3kqk h LEU 301 Cb -0.05 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 3kqk h LEU 301 CO -0.05 0.60 -0.07 1.23 -0.62 0.00 0.00 178.44 179.52 3kqk h GLY 302 N 1.00 -0.22 0.99 3.75 0.00 -0.16 -1.03 103.07 107.41 3kqk h GLY 302 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3kqk h GLY 302 CO 0.04 -0.08 0.44 -2.22 0.00 0.00 0.00 176.54 174.72 3kqk h ILE 303 N -0.52 1.16 0.00 2.60 2.04 -0.38 -0.74 117.51 121.67 3kqk h ILE 303 Ca -0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3kqk h ILE 303 Cb 0.40 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3kqk h ILE 303 CO 0.03 0.16 -0.11 1.23 0.00 0.00 0.00 178.15 179.46 3kqk h GLY 304 N 0.89 0.00 1.00 5.37 0.00 -0.91 -1.60 103.07 107.82 3kqk h GLY 304 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.40 3kqk h GLY 304 CO -0.06 0.00 -0.63 -0.84 0.00 0.00 0.00 176.54 175.01 3kqk h THR 305 N 0.00 1.33 -0.64 4.70 2.02 0.21 -3.04 112.91 117.49 3kqk h THR 305 Ca -0.00 -1.90 -0.04 0.00 0.77 0.00 0.00 66.41 65.24 3kqk h THR 305 Cb 0.22 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3kqk h THR 305 CO 0.01 0.58 0.25 0.58 0.37 0.00 0.00 175.52 177.32 3kqk h VAL 306 N 0.28 1.24 0.00 3.16 2.07 -0.80 -0.28 116.25 121.92 3kqk h VAL 306 Ca -0.05 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kqk h VAL 306 Cb 1.27 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3kqk h VAL 306 CO 0.13 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.19 3kqk n LEU 307 N -4.42 0.07 -0.01 2.57 4.77 -0.64 -0.38 117.00 118.96 3kqk n LEU 307 Ca 0.04 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 3kqk n LEU 307 Cb 0.17 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 3kqk n LEU 307 CO 0.39 -0.32 -0.67 -0.67 -1.33 0.00 0.00 177.39 174.80 3kqk n ASP 308 N -1.58 2.37 -0.01 -1.43 2.03 -0.84 -4.67 116.55 112.42 3kqk n ASP 308 Ca 0.03 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.35 3kqk n ASP 308 Cb 0.15 1.42 -0.01 0.00 -0.72 0.00 0.00 41.12 41.96 3kqk n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqk n GLN 309 N -1.97 5.37 0.18 -0.67 6.02 -0.17 -4.79 117.38 121.34 3kqk n GLN 309 Ca -0.04 -0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 3kqk n GLN 309 Cb 0.38 -0.67 -0.08 0.00 1.02 0.00 0.00 30.24 30.88 3kqk n GLN 309 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kqk h ALA 310 N 0.40 -1.01 -0.11 -1.58 0.00 -0.91 -0.52 119.26 115.53 3kqk h ALA 310 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kqk h ALA 310 Cb 0.07 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kqk h ALA 310 CO 0.00 -1.06 0.02 1.49 0.00 0.00 0.00 179.25 179.70 3kqk h GLU 311 N -0.72 0.06 0.00 0.00 4.81 -1.82 -1.58 114.58 115.34 3kqk h GLU 311 Ca -0.03 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3kqk h GLU 311 Cb 0.65 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 3kqk h GLU 311 CO -0.11 0.04 -0.07 1.15 -0.73 0.00 0.00 179.01 179.29 3kqk h THR 312 N 0.07 0.78 0.00 0.32 2.02 -1.86 -1.47 112.91 112.76 3kqk h THR 312 Ca 0.05 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3kqk h THR 312 Cb 0.04 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3kqk h THR 312 CO -0.07 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.88 3kqk h ALA 313 N 1.93 1.00 0.00 6.16 0.00 -0.10 -3.45 119.26 124.80 3kqk h ALA 313 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kqk h ALA 313 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kqk h ALA 313 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3kqk n GLY 314 N 0.69 1.81 3.68 0.00 0.00 -0.55 0.23 105.19 111.06 3kqk n GLY 314 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kqk n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk n ALA 315 N -0.50 1.01 0.76 4.61 0.00 -0.94 -4.80 120.51 120.65 3kqk n ALA 315 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.76 3kqk n ALA 315 Cb 0.00 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 3kqk n ALA 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqk n ARG 316 N -0.05 1.61 -3.58 0.00 5.12 0.42 -4.45 116.66 115.73 3kqk n ARG 316 Ca 0.08 -0.68 -0.14 0.00 -1.93 0.00 0.00 57.85 55.18 3kqk n ARG 316 Cb 0.40 -1.30 -0.06 0.00 -1.16 0.00 0.00 32.46 30.34 3kqk n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3kqk s LEU 317 N -2.23 -0.59 -0.08 0.55 2.96 -0.91 -2.96 118.68 115.42 3kqk s LEU 317 Ca 0.13 0.88 -0.00 0.00 -0.22 0.00 0.00 54.13 54.91 3kqk s LEU 317 Cb 0.13 2.27 0.02 0.00 0.50 0.00 0.00 46.19 49.12 3kqk s LEU 317 CO 0.48 -0.38 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.39 3kqk s VAL 318 N -0.51 0.70 -0.19 1.68 1.01 -0.82 -1.57 120.40 120.70 3kqk s VAL 318 Ca -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3kqk s VAL 318 Cb -0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3kqk s VAL 318 CO 0.03 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.71 3kqk s VAL 319 N 1.50 3.73 -1.06 2.92 1.01 -0.33 -0.31 120.40 127.87 3kqk s VAL 319 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 3kqk s VAL 319 Cb -0.13 -2.67 0.25 0.00 0.00 0.00 0.00 36.38 33.83 3kqk s VAL 319 CO -0.04 0.45 1.08 -0.76 0.00 0.00 0.00 175.10 175.83 3kqk s LEU 320 N 0.88 6.25 0.02 3.92 1.43 -0.16 0.16 118.68 131.19 3kqk s LEU 320 Ca -0.00 -3.29 -0.25 0.00 -1.03 0.00 0.00 54.13 49.56 3kqk s LEU 320 Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3kqk s LEU 320 CO 0.02 -0.42 0.79 0.00 0.23 0.00 0.00 176.35 176.96 3kqk s ALA 321 N -0.51 3.33 -0.04 4.21 0.00 -0.60 -2.74 121.76 125.40 3kqk s ALA 321 Ca 0.29 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3kqk s ALA 321 Cb -0.09 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.08 3kqk s ALA 321 CO -0.07 -0.01 0.78 -0.08 0.00 0.00 0.00 175.76 176.38 3kqk s THR 322 N 0.23 0.00 -1.12 0.00 -1.32 -0.94 -1.38 115.64 111.11 3kqk s THR 322 Ca 0.40 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.08 3kqk s THR 322 Cb -0.20 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.61 3kqk s THR 322 CO 0.23 0.00 0.88 0.00 -2.21 0.00 0.00 174.62 173.52 3kqk n ALA 323 N 0.48 4.39 -3.53 11.08 0.00 -1.26 -2.95 120.51 128.71 3kqk n ALA 323 Ca -0.15 -0.57 -0.27 0.00 0.00 0.00 0.00 53.44 52.45 3kqk n ALA 323 Cb 0.59 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 3kqk n ALA 323 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kqk n THR 324 N -1.20 -0.05 -0.79 0.00 -2.24 -1.26 -4.68 114.28 104.05 3kqk n THR 324 Ca 0.05 -4.04 -0.32 0.00 -2.27 0.00 0.00 64.05 57.46 3kqk n THR 324 Cb 0.33 -1.88 0.14 0.00 -2.10 0.00 0.00 70.33 66.82 3kqk n THR 324 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kqk n PRO 325 N 2.30 -0.30 -1.65 -0.78 -0.02 -1.26 -4.79 135.00 128.51 3kqk n PRO 325 Ca 0.26 -0.03 -0.47 0.00 -2.02 0.00 0.00 63.50 61.24 3kqk n PRO 325 Cb 0.44 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3kqk n PRO 325 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kqk n PRO 326 N -2.75 1.83 -0.36 0.52 -0.02 -1.26 -2.04 135.00 130.92 3kqk n PRO 326 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kqk n PRO 326 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3kqk n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqk n GLY 327 N 2.64 0.81 3.79 -1.23 0.00 0.15 -4.94 105.19 106.41 3kqk n GLY 327 Ca 0.15 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3kqk n GLY 327 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqk s SER 328 N -2.05 4.82 -0.08 1.61 0.01 -0.86 -4.74 113.70 112.41 3kqk s SER 328 Ca 0.00 1.68 -0.05 0.00 1.31 0.00 0.00 55.95 58.89 3kqk s SER 328 Cb 0.00 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.81 3kqk s SER 328 CO 0.00 -1.81 0.19 0.68 0.41 0.00 0.00 173.24 172.71 3kqk s VAL 329 N -2.99 -0.02 0.18 3.43 -7.23 -1.26 -2.82 120.40 109.68 3kqk s VAL 329 Ca 0.60 0.09 -0.31 0.00 -1.81 0.00 0.00 61.98 60.55 3kqk s VAL 329 Cb -0.16 -0.29 -0.17 0.00 0.56 0.00 0.00 36.38 36.33 3kqk s VAL 329 CO 0.56 0.04 0.88 0.41 -0.31 0.00 0.00 175.10 176.67 3kqk n THR 330 N 3.67 1.37 -4.83 5.32 -1.04 -1.26 -4.98 114.28 112.52 3kqk n THR 330 Ca -0.20 -0.34 -0.27 0.00 -2.04 0.00 0.00 64.05 61.19 3kqk n THR 330 Cb 0.55 -0.43 -0.15 0.00 -1.82 0.00 0.00 70.33 68.49 3kqk n THR 330 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kqk s VAL 331 N -0.62 1.81 0.39 12.58 1.01 -1.26 -5.11 120.40 129.19 3kqk s VAL 331 Ca 0.70 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3kqk s VAL 331 Cb -0.92 -1.54 -0.12 0.00 0.00 0.00 0.00 36.38 33.80 3kqk s VAL 331 CO 0.56 0.33 0.83 -2.65 0.00 0.00 0.00 175.10 174.16 3kqk n PRO 332 N 2.02 1.01 -4.87 2.72 -0.02 -1.26 -5.00 135.00 129.60 3kqk n PRO 332 Ca -0.17 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 3kqk n PRO 332 Cb 0.53 -1.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 3kqk n PRO 332 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kqk s HIS 333 N -1.29 2.73 0.13 6.00 2.46 -1.26 -5.06 115.29 119.00 3kqk s HIS 333 Ca 0.63 -0.31 -0.31 0.00 0.47 0.00 0.00 55.06 55.53 3kqk s HIS 333 Cb -0.61 -1.69 -0.08 0.00 -0.13 0.00 0.00 32.58 30.06 3kqk s HIS 333 CO 0.58 0.06 1.56 -1.35 -2.47 0.00 0.00 174.74 173.12 3kqk h PRO 334 N 5.75 -0.46 -0.93 2.88 0.11 -1.96 -2.18 132.00 135.21 3kqk h PRO 334 Ca -0.40 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3kqk h PRO 334 Cb 1.17 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3kqk h PRO 334 CO 0.52 -0.31 0.05 0.09 -0.21 0.00 0.00 178.00 178.14 3kqk n ASN 335 N -5.42 2.42 -3.87 -2.05 3.02 -1.26 -4.82 115.26 103.28 3kqk n ASN 335 Ca -0.04 -2.26 -0.18 0.00 -0.03 0.00 0.00 54.58 52.07 3kqk n ASN 335 Cb 0.36 -0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 38.82 3kqk n ASN 335 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kqk s ILE 336 N -1.21 0.34 -0.27 2.41 1.01 -0.82 0.38 121.20 123.04 3kqk s ILE 336 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.74 3kqk s ILE 336 Cb 0.10 -0.38 0.05 0.00 0.01 0.00 0.00 42.46 42.24 3kqk s ILE 336 CO 0.03 0.16 -0.07 -0.70 0.00 0.00 0.00 174.94 174.36 3kqk s GLU 337 N 0.72 2.39 -0.12 2.79 2.56 -0.69 -4.44 118.70 121.91 3kqk s GLU 337 Ca -0.08 -1.27 -0.24 0.00 0.00 0.00 0.00 54.97 53.38 3kqk s GLU 337 Cb -0.11 -2.99 -0.03 0.00 2.00 0.00 0.00 34.13 33.00 3kqk s GLU 337 CO -0.01 -0.56 0.77 -1.21 -0.56 0.00 0.00 175.26 173.70 3kqk s GLU 338 N 1.18 4.36 -0.08 4.30 2.02 -1.26 -1.07 118.70 128.15 3kqk s GLU 338 Ca -0.06 0.95 0.02 0.00 0.02 0.00 0.00 54.97 55.90 3kqk s GLU 338 Cb -0.19 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.53 3kqk s GLU 338 CO -0.04 -0.14 -0.15 0.08 0.02 0.00 0.00 175.26 175.03 3kqk s VAL 339 N 1.50 1.36 0.97 2.63 1.01 0.24 -4.91 120.40 123.21 3kqk s VAL 339 Ca 0.38 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 3kqk s VAL 339 Cb -0.17 -1.23 0.18 0.00 0.00 0.00 0.00 36.38 35.15 3kqk s VAL 339 CO 0.16 0.41 1.16 0.00 0.00 0.00 0.00 175.10 176.82 3kqk s ALA 340 N 0.67 1.58 0.04 5.51 0.00 -1.26 -2.52 121.76 125.79 3kqk s ALA 340 Ca -0.14 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3kqk s ALA 340 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3kqk s ALA 340 CO 0.04 -2.57 -0.13 -0.51 0.00 0.00 0.00 175.76 172.59 3kqk s LEU 341 N -6.20 2.87 0.00 0.00 1.43 -0.99 -4.75 118.68 111.04 3kqk s LEU 341 Ca 0.67 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3kqk s LEU 341 Cb -0.13 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 3kqk s LEU 341 CO 0.54 0.25 0.01 -1.54 0.23 0.00 0.00 176.35 175.83 3kqk n SER 342 N 1.37 2.83 -0.13 2.29 3.41 -1.26 -4.94 113.62 117.20 3kqk n SER 342 Ca -0.15 -2.49 0.01 0.00 -0.26 0.00 0.00 58.87 55.97 3kqk n SER 342 Cb 0.52 0.27 0.29 0.00 -0.26 0.00 0.00 64.21 65.04 3kqk n SER 342 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kqk h SER 343 N 0.84 0.71 -2.35 4.04 0.02 -1.90 -2.83 113.55 112.07 3kqk h SER 343 Ca -0.28 -0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.06 3kqk h SER 343 Cb 0.85 -0.18 0.05 0.00 0.14 0.00 0.00 62.40 63.27 3kqk h SER 343 CO 0.46 0.56 0.91 0.41 -1.14 0.00 0.00 176.83 178.02 3kqk n THR 344 N -4.41 0.10 0.00 -2.27 -1.04 -1.26 -4.31 114.28 101.09 3kqk n THR 344 Ca 0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3kqk n THR 344 Cb 0.08 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 3kqk n THR 344 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqk n GLY 345 N 3.72 4.27 0.79 3.41 0.00 -1.26 -4.41 105.19 111.71 3kqk n GLY 345 Ca 0.17 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.46 3kqk n GLY 345 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kqk n GLU 346 N -1.56 2.07 -3.95 1.61 0.00 -1.23 -4.67 120.64 112.92 3kqk n GLU 346 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 57.16 55.28 3kqk n GLU 346 Cb 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 31.44 29.82 3kqk n GLU 346 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kqk s ILE 347 N -1.89 1.67 0.32 3.84 -1.09 -1.16 -4.94 121.20 117.94 3kqk s ILE 347 Ca 0.33 -1.43 -0.29 0.00 -2.23 0.00 0.00 60.65 57.03 3kqk s ILE 347 Cb 0.20 -1.97 -0.11 0.00 -1.58 0.00 0.00 42.46 39.01 3kqk s ILE 347 CO 0.31 -0.19 1.43 -2.84 -1.23 0.00 0.00 174.94 172.42 3kqk s PRO 348 N 1.31 4.23 0.00 2.79 0.02 -1.26 0.31 135.00 142.39 3kqk s PRO 348 Ca -0.03 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3kqk s PRO 348 Cb -0.19 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3kqk s PRO 348 CO -0.08 -0.41 0.00 0.34 -0.33 0.00 0.00 177.00 176.53 3kqk n PHE 349 N 1.20 0.00 -2.59 6.54 7.35 0.35 -4.86 117.46 125.45 3kqk n PHE 349 Ca 0.03 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.32 3kqk n PHE 349 Cb 0.40 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.25 3kqk n PHE 349 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3kqk n TYR 350 N 0.00 2.91 0.00 -5.13 4.02 -1.26 -4.54 117.16 113.16 3kqk n TYR 350 Ca 0.00 -2.66 0.00 0.00 -0.01 0.00 0.00 57.90 55.23 3kqk n TYR 350 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.19 3kqk n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kqk n GLY 351 N -0.13 0.89 0.00 2.72 0.00 -1.26 -5.04 105.19 102.37 3kqk n GLY 351 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 3kqk n GLY 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqk n LYS 352 N -0.96 0.90 -4.27 1.61 4.01 -1.26 -4.91 118.16 113.28 3kqk n LYS 352 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 3kqk n LYS 352 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.42 3kqk n LYS 352 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqk s ALA 353 N -2.00 1.50 -0.21 7.82 0.00 -1.07 0.13 121.76 127.92 3kqk s ALA 353 Ca 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.35 3kqk s ALA 353 Cb 0.00 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.62 3kqk s ALA 353 CO 0.00 -0.27 -0.11 0.42 0.00 0.00 0.00 175.76 175.81 3kqk s ILE 354 N -3.54 1.77 0.06 0.00 1.01 0.15 -4.53 121.20 116.12 3kqk s ILE 354 Ca 0.24 -1.16 -0.34 0.00 0.00 0.00 0.00 60.65 59.39 3kqk s ILE 354 Cb 0.05 -1.86 -0.13 0.00 0.01 0.00 0.00 42.46 40.54 3kqk s ILE 354 CO 0.05 0.12 1.73 -2.65 0.00 0.00 0.00 174.94 174.19 3kqk n PRO 355 N 4.62 2.26 -0.34 2.79 -0.02 -1.26 -2.98 135.00 140.06 3kqk n PRO 355 Ca -0.15 0.82 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 3kqk n PRO 355 Cb 0.46 -2.64 0.27 0.00 -0.02 0.00 0.00 33.50 31.56 3kqk n PRO 355 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kqk h ILE 356 N 4.45 0.79 0.00 4.25 6.09 -1.95 0.14 117.51 131.28 3kqk h ILE 356 Ca -0.46 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 3kqk h ILE 356 Cb 1.26 -0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.46 3kqk h ILE 356 CO 0.92 0.15 0.00 1.05 -3.07 0.00 0.00 178.15 177.20 3kqk h GLU 357 N 0.81 0.00 -0.13 2.19 -0.00 -1.97 0.99 114.58 116.46 3kqk h GLU 357 Ca 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.78 3kqk h GLU 357 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.43 3kqk h GLU 357 CO -0.34 0.00 -0.35 1.15 -0.00 0.00 0.00 179.01 179.47 3kqk h THR 358 N 0.00 1.29 0.00 -1.06 2.02 -1.08 -3.12 112.91 110.95 3kqk h THR 358 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3kqk h THR 358 Cb 0.42 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3kqk h THR 358 CO 0.00 0.42 -0.00 2.30 0.37 0.00 0.00 175.52 178.61 3kqk n ILE 359 N -4.07 0.94 -0.17 3.11 -5.35 -1.05 -4.78 119.36 107.99 3kqk n ILE 359 Ca -0.01 -0.95 -0.02 0.00 -0.27 0.00 0.00 62.75 61.49 3kqk n ILE 359 Cb 0.44 0.52 0.05 0.00 -1.74 0.00 0.00 39.64 38.91 3kqk n ILE 359 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3kqk h LYS 360 N 0.00 0.04 -5.67 6.28 3.64 -0.74 -3.43 116.57 116.69 3kqk h LYS 360 Ca 0.00 -0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 3kqk h LYS 360 Cb 0.57 -0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.17 3kqk h LYS 360 CO 0.00 0.02 -0.80 0.20 -2.27 0.00 0.00 179.45 176.61 3kqk s GLY 361 N -3.23 1.02 0.00 5.01 0.00 -1.26 -4.98 107.32 103.87 3kqk s GLY 361 Ca -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3kqk s GLY 361 CO 0.72 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 173.31 3kqk n GLY 362 N 1.18 0.47 3.66 0.20 0.00 -1.26 -4.94 105.19 104.50 3kqk n GLY 362 Ca -0.20 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.38 3kqk n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqk s ARG 363 N -1.21 4.11 0.13 1.61 0.52 -1.26 -1.94 118.95 120.92 3kqk s ARG 363 Ca 0.00 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 3kqk s ARG 363 Cb 0.00 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 3kqk s ARG 363 CO 0.00 -0.04 -0.13 -1.01 0.02 0.00 0.00 175.30 174.14 3kqk s HIS 364 N 1.34 1.33 -0.13 -0.53 3.76 0.14 -0.50 115.29 120.69 3kqk s HIS 364 Ca 0.14 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3kqk s HIS 364 Cb -0.14 -0.69 0.01 0.00 1.11 0.00 0.00 32.58 32.87 3kqk s HIS 364 CO 0.07 0.12 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.72 3kqk s LEU 365 N -2.64 1.98 -0.23 0.89 2.96 -0.76 -1.28 118.68 119.59 3kqk s LEU 365 Ca 0.11 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3kqk s LEU 365 Cb -0.03 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3kqk s LEU 365 CO 0.02 0.05 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.40 3kqk s ILE 366 N 0.94 3.03 -0.26 6.68 -1.09 0.16 -0.05 121.20 130.62 3kqk s ILE 366 Ca -0.05 -0.77 -0.15 0.00 -2.23 0.00 0.00 60.65 57.45 3kqk s ILE 366 Cb -0.15 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3kqk s ILE 366 CO -0.03 0.33 0.35 -0.36 -1.23 0.00 0.00 174.94 174.00 3kqk s PHE 367 N 1.40 3.27 0.21 3.97 0.40 0.19 -0.82 117.98 126.59 3kqk s PHE 367 Ca 0.03 0.41 0.10 0.00 -0.60 0.00 0.00 56.93 56.87 3kqk s PHE 367 Cb -0.15 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 3kqk s PHE 367 CO -0.05 -0.18 -0.10 0.00 0.70 0.00 0.00 175.22 175.59 3kqk h HIS 369 N 2.65 0.59 -2.05 0.00 2.07 -1.90 -3.41 115.15 113.10 3kqk h HIS 369 Ca -0.45 -0.29 -0.47 0.00 -2.85 0.00 0.00 60.37 56.30 3kqk h HIS 369 Cb 1.22 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 31.10 3kqk h HIS 369 CO 0.68 1.09 -0.44 -1.54 -3.07 0.00 0.00 177.93 174.65 3kqk s SER 370 N -6.65 5.86 0.33 3.10 1.04 -1.26 -4.60 113.70 111.52 3kqk s SER 370 Ca -0.13 -0.17 0.23 0.00 0.48 0.00 0.00 55.95 56.36 3kqk s SER 370 Cb 0.04 -1.45 0.29 0.00 0.10 0.00 0.00 66.02 64.99 3kqk s SER 370 CO 0.81 -0.19 1.45 0.50 0.98 0.00 0.00 173.24 176.79 3kqk h LYS 371 N 1.21 0.00 0.25 4.02 3.64 -1.99 -3.27 116.57 120.43 3kqk h LYS 371 Ca -0.48 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.55 3kqk h LYS 371 Cb 1.24 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.10 3kqk h LYS 371 CO 0.59 0.00 -1.53 1.57 -2.27 0.00 0.00 179.45 177.81 3kqk h LYS 372 N 0.00 0.52 0.00 1.90 -0.00 -2.00 -3.23 116.57 113.76 3kqk h LYS 372 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 60.65 59.75 3kqk h LYS 372 Cb 0.96 0.33 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 3kqk h LYS 372 CO 0.00 1.43 0.00 1.63 -0.00 0.00 0.00 179.45 182.51 3kqk n LYS 373 N -3.70 0.19 -0.06 0.07 5.02 -1.25 -2.03 118.16 116.41 3kqk n LYS 373 Ca -0.18 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 3kqk n LYS 373 Cb 1.10 -1.86 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 3kqk n LYS 373 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqk h ASP 375 N 0.01 0.29 -0.29 0.00 3.45 -1.58 0.18 116.42 118.47 3kqk h ASP 375 Ca 0.03 -0.32 0.06 0.00 0.43 0.00 0.00 57.03 57.24 3kqk h ASP 375 Cb 0.61 -0.08 -0.06 0.00 -0.56 0.00 0.00 39.33 39.25 3kqk h ASP 375 CO 0.03 0.54 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.80 3kqk h GLU 376 N 0.03 -0.04 -0.51 3.56 5.08 -1.42 0.62 114.58 121.91 3kqk h GLU 376 Ca 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3kqk h GLU 376 Cb 0.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3kqk h GLU 376 CO 0.01 -0.03 0.07 1.25 -1.00 0.00 0.00 179.01 179.31 3kqk h LEU 377 N -0.05 0.82 -1.61 1.33 5.85 -1.14 -2.34 115.31 118.17 3kqk h LEU 377 Ca 0.15 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3kqk h LEU 377 Cb 0.27 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3kqk h LEU 377 CO -0.33 0.88 0.34 0.00 -0.34 0.00 0.00 178.44 179.00 3kqk h ALA 378 N 0.97 1.87 0.52 1.25 0.00 -0.36 -2.76 119.26 120.74 3kqk h ALA 378 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kqk h ALA 378 Cb 0.42 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kqk h ALA 378 CO 0.01 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 3kqk h ALA 379 N 1.72 -1.08 0.00 0.00 0.00 -0.37 0.55 119.26 120.09 3kqk h ALA 379 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kqk h ALA 379 Cb 0.26 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kqk h ALA 379 CO -0.06 -1.02 0.22 1.17 0.00 0.00 0.00 179.25 179.56 3kqk n LYS 380 N -4.06 0.00 -0.08 0.00 3.00 -1.01 -0.79 118.16 115.22 3kqk n LYS 380 Ca -0.09 0.25 -0.16 0.00 -0.00 0.00 0.00 58.31 58.32 3kqk n LYS 380 Cb 0.28 -1.72 -0.05 0.00 0.00 0.00 0.00 35.03 33.53 3kqk n LYS 380 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3kqk n LEU 381 N -1.24 1.39 -0.04 3.14 4.77 -0.95 -4.38 117.00 119.68 3kqk n LEU 381 Ca 0.00 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 3kqk n LEU 381 Cb 0.22 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3kqk n LEU 381 CO 0.00 0.17 0.93 -1.28 -1.33 0.00 0.00 177.39 175.88 3kqk h SER 382 N -0.66 0.14 0.00 -1.43 0.87 0.99 -0.17 113.55 113.29 3kqk h SER 382 Ca -0.35 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3kqk h SER 382 Cb 1.21 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3kqk h SER 382 CO -0.21 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 176.81 3kqk n GLY 383 N -1.16 2.16 0.40 5.77 0.00 0.03 -2.43 105.19 109.96 3kqk n GLY 383 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kqk n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kqk n LEU 384 N 0.93 0.00 0.00 0.99 7.94 -0.09 -4.94 117.00 121.83 3kqk n LEU 384 Ca 0.00 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 3kqk n LEU 384 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3kqk n LEU 384 CO 0.00 0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 3kqk n GLY 385 N 0.00 2.87 3.76 -3.96 0.00 -1.02 -5.01 105.19 101.84 3kqk n GLY 385 Ca 0.00 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3kqk n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqk s LEU 386 N 0.00 4.00 -0.98 0.99 1.43 -1.09 -4.94 118.68 118.09 3kqk s LEU 386 Ca 0.00 2.86 -0.16 0.00 -1.03 0.00 0.00 54.13 55.80 3kqk s LEU 386 Cb 0.00 -4.08 0.17 0.00 0.03 0.00 0.00 46.19 42.31 3kqk s LEU 386 CO 0.00 -1.36 1.12 0.21 0.23 0.00 0.00 176.35 176.55 3kqk s ASN 387 N -0.69 6.79 -0.08 2.29 3.04 -1.26 -3.62 114.94 121.42 3kqk s ASN 387 Ca 0.66 -2.46 0.01 0.00 0.04 0.00 0.00 52.86 51.10 3kqk s ASN 387 Cb -0.43 -2.35 -0.03 0.00 -1.54 0.00 0.00 41.25 36.91 3kqk s ASN 387 CO 0.53 -0.85 -0.07 0.00 -3.04 0.00 0.00 177.10 173.66 3kqk s ALA 388 N 1.71 2.96 -0.06 1.71 0.00 -1.26 -1.69 121.76 125.13 3kqk s ALA 388 Ca 0.32 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 3kqk s ALA 388 Cb -0.06 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.85 3kqk s ALA 388 CO -0.07 0.54 -0.02 0.14 0.00 0.00 0.00 175.76 176.34 3kqk s VAL 389 N -0.68 0.47 0.46 0.00 -7.23 -0.98 -4.71 120.40 107.74 3kqk s VAL 389 Ca 0.10 0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 60.07 3kqk s VAL 389 Cb -0.11 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 3kqk s VAL 389 CO 0.02 0.25 1.01 0.00 -0.31 0.00 0.00 175.10 176.07 3kqk s ALA 390 N 1.56 2.94 -0.01 1.32 0.00 -1.26 -2.96 121.76 123.35 3kqk s ALA 390 Ca -0.01 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 3kqk s ALA 390 Cb -0.13 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3kqk s ALA 390 CO -0.04 -0.16 0.10 -0.47 0.00 0.00 0.00 175.76 175.19 3kqk s TYR 391 N -2.02 0.04 -0.07 0.00 5.04 -0.18 -4.91 117.35 115.24 3kqk s TYR 391 Ca 0.65 -0.08 -0.32 0.00 -2.44 0.00 0.00 57.07 54.88 3kqk s TYR 391 Cb -0.14 -0.05 0.13 0.00 0.35 0.00 0.00 41.96 42.25 3kqk s TYR 391 CO 0.18 -0.20 1.34 1.52 -1.34 0.00 0.00 175.55 177.05 3kqk s TYR 392 N -0.96 -0.03 -0.01 4.97 -0.85 -1.26 -2.62 117.35 116.59 3kqk s TYR 392 Ca -0.10 -0.03 -0.36 0.00 -0.52 0.00 0.00 57.07 56.06 3kqk s TYR 392 Cb -0.06 0.53 -0.14 0.00 0.38 0.00 0.00 41.96 42.67 3kqk s TYR 392 CO 0.01 -0.17 1.65 -2.13 -1.52 0.00 0.00 175.55 173.39 3kqk n ARG 393 N -0.44 1.78 0.00 -3.49 0.63 -1.26 -1.72 116.66 112.16 3kqk n ARG 393 Ca -0.08 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 3kqk n ARG 393 Cb 0.63 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.13 3kqk n ARG 393 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kqk n GLY 394 N 3.68 0.71 3.94 5.14 0.00 -1.26 -5.10 105.19 112.31 3kqk n GLY 394 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3kqk n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqk s LEU 395 N 0.00 3.75 0.04 0.99 1.43 -0.70 -5.08 118.68 119.10 3kqk s LEU 395 Ca 0.00 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 3kqk s LEU 395 Cb 0.00 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.80 3kqk s LEU 395 CO 0.00 -0.56 0.45 1.51 0.23 0.00 0.00 176.35 177.98 3kqk s ASP 396 N -4.14 6.85 0.53 2.29 1.47 -1.26 -4.90 116.67 117.51 3kqk s ASP 396 Ca 0.46 1.02 0.22 0.00 1.18 0.00 0.00 52.55 55.42 3kqk s ASP 396 Cb -0.10 -2.27 1.38 0.00 -0.34 0.00 0.00 42.92 41.59 3kqk s ASP 396 CO 0.39 0.28 2.08 0.58 0.68 0.00 0.00 175.17 179.18 3kqk h VAL 397 N 3.51 0.82 -0.13 2.11 2.07 -1.96 -2.11 116.25 120.56 3kqk h VAL 397 Ca -0.51 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3kqk h VAL 397 Cb 1.21 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3kqk h VAL 397 CO 0.63 0.00 0.18 0.77 0.02 0.00 0.00 177.57 179.17 3kqk h SER 398 N 0.00 0.00 -0.89 0.57 4.64 -1.96 -1.94 113.55 113.97 3kqk h SER 398 Ca 0.12 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.64 3kqk h SER 398 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 3kqk h SER 398 CO -0.00 0.00 0.59 0.58 -0.87 0.00 0.00 176.83 177.13 3kqk h VAL 399 N 0.00 0.67 -3.36 0.95 2.07 -1.79 -3.39 116.25 111.39 3kqk h VAL 399 Ca 0.06 -0.12 -0.57 0.00 0.82 0.00 0.00 66.70 66.89 3kqk h VAL 399 Cb 0.43 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 3kqk h VAL 399 CO -0.00 0.06 0.15 -0.63 0.02 0.00 0.00 177.57 177.17 3kqk s ILE 400 N -5.36 5.01 0.16 4.57 1.01 -0.73 -5.03 121.20 120.83 3kqk s ILE 400 Ca -0.08 1.46 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 3kqk s ILE 400 Cb 0.22 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 3kqk s ILE 400 CO 0.78 0.20 1.39 -2.16 0.00 0.00 0.00 174.94 175.14 3kqk s PRO 401 N 1.15 4.33 0.53 2.79 0.04 -1.26 -4.92 135.00 137.65 3kqk s PRO 401 Ca 0.37 2.12 0.22 0.00 0.04 0.00 0.00 61.00 63.75 3kqk s PRO 401 Cb -0.17 -3.21 1.36 0.00 0.04 0.00 0.00 34.50 32.52 3kqk s PRO 401 CO 0.17 -0.40 2.06 1.15 0.04 0.00 0.00 177.00 180.02 3kqk h THR 402 N 4.01 0.82 -0.87 1.26 2.02 -1.96 -3.45 112.91 114.74 3kqk h THR 402 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3kqk h THR 402 Cb 1.21 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3kqk h THR 402 CO 0.83 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 175.18 3kqk n SER 403 N -4.41 0.00 -0.90 4.18 3.41 -1.26 -5.13 113.62 109.51 3kqk n SER 403 Ca 0.04 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.77 3kqk n SER 403 Cb 0.39 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 3kqk n SER 403 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqk n GLY 404 N 0.00 -2.58 3.73 5.00 0.00 -1.26 -4.80 105.19 105.28 3kqk n GLY 404 Ca 0.00 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3kqk n GLY 404 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqk s ASP 405 N -6.31 7.11 -0.16 1.61 -0.00 -1.26 -4.57 116.67 113.09 3kqk s ASP 405 Ca 0.00 2.16 -0.28 0.00 -0.00 0.00 0.00 52.55 54.42 3kqk s ASP 405 Cb 0.00 -2.60 0.09 0.00 -0.00 0.00 0.00 42.92 40.41 3kqk s ASP 405 CO 0.00 -0.38 0.81 0.54 -0.00 0.00 0.00 175.17 176.14 3kqk s VAL 406 N 0.22 0.00 -0.39 -1.27 0.11 -0.82 -4.78 120.40 113.47 3kqk s VAL 406 Ca 0.54 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 3kqk s VAL 406 Cb -0.31 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.64 3kqk s VAL 406 CO 0.34 0.00 0.14 -0.63 -3.33 0.00 0.00 175.10 171.62 3kqk s ILE 407 N -0.57 2.75 -0.26 7.04 1.01 -0.68 -0.69 121.20 129.79 3kqk s ILE 407 Ca -0.04 -2.31 -0.19 0.00 0.00 0.00 0.00 60.65 58.11 3kqk s ILE 407 Cb -0.02 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3kqk s ILE 407 CO 0.03 -0.66 0.57 -0.69 0.00 0.00 0.00 174.94 174.20 3kqk s VAL 408 N 0.90 5.02 -0.39 2.92 1.01 -0.41 -2.31 120.40 127.14 3kqk s VAL 408 Ca 0.10 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 62.94 3kqk s VAL 408 Cb -0.21 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.32 3kqk s VAL 408 CO -0.06 0.03 0.24 -0.69 0.00 0.00 0.00 175.10 174.62 3kqk s VAL 409 N 2.42 4.64 0.31 2.92 1.01 -1.16 0.36 120.40 130.91 3kqk s VAL 409 Ca 0.23 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3kqk s VAL 409 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3kqk s VAL 409 CO 0.09 -0.31 0.17 0.00 0.00 0.00 0.00 175.10 175.05 3kqk s ALA 410 N 1.55 1.98 0.16 5.51 0.00 -0.00 -1.01 121.76 129.95 3kqk s ALA 410 Ca 0.02 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.23 3kqk s ALA 410 Cb -0.20 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.09 3kqk s ALA 410 CO 0.06 -0.52 0.00 0.25 0.00 0.00 0.00 175.76 175.56 3kqk n THR 411 N -0.59 0.00 1.39 0.00 -2.24 -1.08 -2.19 114.28 109.56 3kqk n THR 411 Ca 0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 3kqk n THR 411 Cb 0.65 -1.16 0.18 0.00 -2.10 0.00 0.00 70.33 67.90 3kqk n THR 411 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kqk n ASP 412 N -2.92 0.00 -4.68 3.42 8.00 -1.26 -4.81 116.55 114.30 3kqk n ASP 412 Ca 0.00 -1.20 -0.45 0.00 0.71 0.00 0.00 54.79 53.85 3kqk n ASP 412 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3kqk n ASP 412 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kqk n ALA 413 N -0.64 1.63 -1.77 2.24 0.00 -1.26 -4.90 120.51 115.81 3kqk n ALA 413 Ca 0.05 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 3kqk n ALA 413 Cb 0.02 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 3kqk n ALA 413 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3kqk s LEU 414 N 1.24 4.28 -0.83 0.00 0.20 -1.26 -4.93 118.68 117.38 3kqk s LEU 414 Ca 0.79 2.46 -0.02 0.00 0.69 0.00 0.00 54.13 58.05 3kqk s LEU 414 Cb -0.64 -3.89 0.36 0.00 -0.43 0.00 0.00 46.19 41.60 3kqk s LEU 414 CO 0.38 -0.63 2.03 0.23 -0.29 0.00 0.00 176.35 178.07 3kqk n MET 415 N 0.34 2.75 -1.60 1.98 2.81 -1.26 -4.97 117.12 117.17 3kqk n MET 415 Ca 0.03 -3.50 -0.59 0.00 -1.81 0.00 0.00 57.70 51.83 3kqk n MET 415 Cb 0.45 -2.27 -0.08 0.00 -0.71 0.00 0.00 33.22 30.61 3kqk n MET 415 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kqk n THR 416 N -0.58 0.04 -0.48 2.03 -1.04 -1.26 -0.99 114.28 112.00 3kqk n THR 416 Ca 0.55 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 3kqk n THR 416 Cb 0.28 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3kqk n THR 416 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kqk n GLY 417 N 2.64 0.74 2.86 3.41 0.00 -1.26 -4.86 105.19 108.73 3kqk n GLY 417 Ca 0.23 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3kqk n GLY 417 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqk s PHE 418 N -2.00 0.41 -0.30 1.61 5.36 -0.16 -5.06 117.98 117.85 3kqk s PHE 418 Ca 0.00 -0.06 -0.23 0.00 -0.96 0.00 0.00 56.93 55.68 3kqk s PHE 418 Cb 0.00 -0.41 -0.00 0.00 -0.34 0.00 0.00 43.02 42.26 3kqk s PHE 418 CO 0.00 -0.11 0.78 0.99 -1.46 0.00 0.00 175.22 175.42 3kqk s THR 419 N 0.72 4.81 0.00 0.12 2.01 -1.26 -4.91 115.64 117.13 3kqk s THR 419 Ca -0.08 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.12 3kqk s THR 419 Cb -0.11 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.27 3kqk s THR 419 CO -0.01 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 3kqk n GLY 420 N 4.17 -2.86 2.48 4.40 0.00 -1.26 -4.99 105.19 107.13 3kqk n GLY 420 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3kqk n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kqk n ASP 421 N 0.00 -3.91 -4.42 1.61 4.64 -1.05 -5.07 116.55 108.35 3kqk n ASP 421 Ca 0.00 1.18 -0.22 0.00 -1.38 0.00 0.00 54.79 54.37 3kqk n ASP 421 Cb 0.00 -4.65 -0.10 0.00 -1.04 0.00 0.00 41.12 35.32 3kqk n ASP 421 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3kqk s PHE 422 N -0.99 2.09 0.17 -0.67 0.08 -1.13 -5.02 117.98 112.51 3kqk s PHE 422 Ca -0.12 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 3kqk s PHE 422 Cb 0.01 -0.94 0.04 0.00 -0.57 0.00 0.00 43.02 41.56 3kqk s PHE 422 CO 0.67 0.57 1.60 -0.44 -0.10 0.00 0.00 175.22 177.52 3kqk h ASP 423 N 2.50 1.05 -5.18 1.36 3.32 -1.16 -3.38 116.42 114.93 3kqk h ASP 423 Ca -0.40 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.21 3kqk h ASP 423 Cb 1.24 -0.29 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 3kqk h ASP 423 CO 0.59 1.15 -0.30 -0.94 -1.72 0.00 0.00 179.24 178.02 3kqk s SER 424 N -6.65 0.04 -0.07 6.45 1.04 -1.25 -2.04 113.70 111.21 3kqk s SER 424 Ca -0.12 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 3kqk s SER 424 Cb 0.13 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3kqk s SER 424 CO 0.87 -0.82 -0.02 -0.69 0.98 0.00 0.00 173.24 173.56 3kqk s VAL 425 N -3.89 0.54 -0.29 5.02 1.01 -0.73 -1.83 120.40 120.22 3kqk s VAL 425 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3kqk s VAL 425 Cb 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 3kqk s VAL 425 CO -0.07 0.28 0.12 -0.63 0.00 0.00 0.00 175.10 174.80 3kqk s ILE 426 N 1.71 4.46 -0.10 2.22 1.01 0.93 -0.40 121.20 131.04 3kqk s ILE 426 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3kqk s ILE 426 Cb -0.13 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3kqk s ILE 426 CO -0.05 0.14 -0.03 -0.62 0.00 0.00 0.00 174.94 174.38 3kqk s ASP 427 N 1.60 4.98 0.19 3.58 3.68 -0.08 -0.64 116.67 129.98 3kqk s ASP 427 Ca 0.05 0.03 0.26 0.00 2.13 0.00 0.00 52.55 55.02 3kqk s ASP 427 Cb -0.17 -1.47 0.80 0.00 -1.45 0.00 0.00 42.92 40.63 3kqk s ASP 427 CO 0.05 0.32 1.75 0.00 0.13 0.00 0.00 175.17 177.42 3kqk n ASN 429 N -2.20 -5.87 -3.78 0.00 5.03 -1.26 -4.66 115.26 102.52 3kqk n ASN 429 Ca 0.05 -0.46 -0.13 0.00 0.87 0.00 0.00 54.58 54.92 3kqk n ASN 429 Cb 0.43 -4.50 -0.09 0.00 -1.02 0.00 0.00 39.78 34.59 3kqk n ASN 429 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3kqk s THR 430 N -3.27 0.04 0.11 3.41 -4.23 -1.26 -2.91 115.64 107.53 3kqk s THR 430 Ca 0.50 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 3kqk s THR 430 Cb -0.22 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 3kqk s THR 430 CO 0.62 -0.20 -0.18 0.00 -0.54 0.00 0.00 174.62 174.32 3kqk s VAL 432 N -1.46 5.03 0.29 0.00 1.01 -1.26 -0.10 120.40 123.91 3kqk s VAL 432 Ca 0.06 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3kqk s VAL 432 Cb -0.09 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3kqk s VAL 432 CO 0.04 0.29 0.19 0.28 0.00 0.00 0.00 175.10 175.89 3kqk s THR 433 N 1.62 0.16 -0.13 3.92 -1.32 0.96 -4.96 115.64 115.90 3kqk s THR 433 Ca 0.07 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.54 3kqk s THR 433 Cb -0.15 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 3kqk s THR 433 CO 0.08 0.00 -0.11 -1.10 -2.21 0.00 0.00 174.62 171.29 3kqk s GLN 434 N -3.79 3.35 0.08 7.08 -0.21 -1.26 -0.03 119.66 124.88 3kqk s GLN 434 Ca 0.38 -0.64 0.07 0.00 0.02 0.00 0.00 55.36 55.18 3kqk s GLN 434 Cb 0.05 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 3kqk s GLN 434 CO 0.19 0.28 -0.18 0.95 -2.12 0.00 0.00 175.29 174.41 3kqk s THR 435 N 0.20 1.44 0.23 -0.19 -4.23 0.35 -4.76 115.64 108.68 3kqk s THR 435 Ca -0.06 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 3kqk s THR 435 Cb -0.15 -1.32 -0.06 0.00 1.34 0.00 0.00 72.50 72.32 3kqk s THR 435 CO 0.04 -0.08 0.50 0.54 -0.54 0.00 0.00 174.62 175.08 3kqk s VAL 436 N -1.13 5.04 -0.15 2.29 0.11 -1.26 -1.40 120.40 123.91 3kqk s VAL 436 Ca 0.03 0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 59.20 3kqk s VAL 436 Cb -0.10 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 31.15 3kqk s VAL 436 CO 0.03 -0.14 0.18 -0.62 -3.33 0.00 0.00 175.10 171.22 3kqk s ASP 437 N -2.72 1.16 -1.46 3.54 2.15 0.12 -4.93 116.67 114.52 3kqk s ASP 437 Ca 0.44 0.02 -0.13 0.00 0.43 0.00 0.00 52.55 53.30 3kqk s ASP 437 Cb -0.11 0.29 0.04 0.00 -0.30 0.00 0.00 42.92 42.83 3kqk s ASP 437 CO 0.26 -0.29 2.27 0.49 -0.17 0.00 0.00 175.17 177.73 3kqk n PHE 438 N 5.32 3.42 1.16 -5.34 3.72 -1.26 -0.71 117.46 123.77 3kqk n PHE 438 Ca -0.05 -2.98 0.10 0.00 -0.05 0.00 0.00 57.45 54.47 3kqk n PHE 438 Cb 0.50 -2.52 0.57 0.00 -0.94 0.00 0.00 39.48 37.08 3kqk n PHE 438 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kqk n SER 439 N 5.78 0.00 -4.19 4.37 3.41 -1.24 -4.91 113.62 116.85 3kqk n SER 439 Ca 0.54 -0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 58.43 3kqk n SER 439 Cb 0.38 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3kqk n SER 439 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqk n LEU 440 N -1.11 -1.25 -3.06 1.04 4.77 0.50 -4.88 117.00 113.02 3kqk n LEU 440 Ca 0.13 -1.21 -0.18 0.00 -0.03 0.00 0.00 56.01 54.72 3kqk n LEU 440 Cb 0.10 -1.77 -0.02 0.00 -2.33 0.00 0.00 43.42 39.40 3kqk n LEU 440 CO 0.13 0.50 -0.13 -0.90 -1.33 0.00 0.00 177.39 175.66 3kqk n ASP 441 N -2.83 -0.57 0.04 -1.43 5.75 -1.26 -4.52 116.55 111.73 3kqk n ASP 441 Ca -0.30 -2.96 0.12 0.00 -0.01 0.00 0.00 54.79 51.64 3kqk n ASP 441 Cb 0.68 0.10 0.16 0.00 -1.03 0.00 0.00 41.12 41.03 3kqk n ASP 441 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3kqk n PRO 442 N 1.17 0.24 0.00 0.11 -0.04 -1.26 -4.90 135.00 130.32 3kqk n PRO 442 Ca 0.18 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3kqk n PRO 442 Cb 0.59 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3kqk n PRO 442 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kqk n THR 443 N -1.98 0.00 -4.66 0.52 -2.24 -1.26 -4.78 114.28 99.87 3kqk n THR 443 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3kqk n THR 443 Cb 0.42 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 3kqk n THR 443 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kqk s PHE 444 N 1.06 1.79 -0.06 4.78 -0.12 -1.26 -0.37 117.98 123.81 3kqk s PHE 444 Ca 0.00 -1.14 -0.04 0.00 -0.05 0.00 0.00 56.93 55.70 3kqk s PHE 444 Cb 0.00 -1.40 0.03 0.00 -0.63 0.00 0.00 43.02 41.02 3kqk s PHE 444 CO 0.00 -0.03 0.15 0.99 -0.05 0.00 0.00 175.22 176.27 3kqk s THR 445 N -3.02 -0.03 -0.35 -4.49 2.01 0.11 -1.60 115.64 108.26 3kqk s THR 445 Ca 0.12 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 3kqk s THR 445 Cb 0.01 -0.23 0.08 0.00 0.01 0.00 0.00 72.50 72.37 3kqk s THR 445 CO 0.07 0.04 0.10 -0.63 -0.69 0.00 0.00 174.62 173.51 3kqk s ILE 446 N 0.66 3.11 0.04 1.82 1.01 0.26 0.11 121.20 128.20 3kqk s ILE 446 Ca -0.05 -1.75 0.03 0.00 0.00 0.00 0.00 60.65 58.88 3kqk s ILE 446 Cb -0.07 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 3kqk s ILE 446 CO -0.03 -0.41 0.00 -1.83 0.00 0.00 0.00 174.94 172.67 3kqk s GLU 447 N 1.18 2.69 -0.19 2.79 -1.05 -0.49 -3.71 118.70 119.93 3kqk s GLU 447 Ca 0.02 -0.71 -0.07 0.00 -0.15 0.00 0.00 54.97 54.07 3kqk s GLU 447 Cb -0.21 -2.62 -0.04 0.00 -0.44 0.00 0.00 34.13 30.82 3kqk s GLU 447 CO -0.03 0.59 0.06 0.95 0.95 0.00 0.00 175.26 177.78 3kqk s THR 448 N -1.19 4.65 0.18 1.83 -4.23 -1.26 -0.49 115.64 115.13 3kqk s THR 448 Ca 0.22 -0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3kqk s THR 448 Cb -0.12 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 3kqk s THR 448 CO 0.14 0.44 0.18 0.35 -0.54 0.00 0.00 174.62 175.19 3kqk n THR 449 N 3.76 0.00 -4.26 3.99 -2.24 0.96 -4.96 114.28 111.53 3kqk n THR 449 Ca -0.16 -1.20 -0.31 0.00 -2.27 0.00 0.00 64.05 60.11 3kqk n THR 449 Cb 0.52 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.29 3kqk n THR 449 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kqk s THR 450 N -2.69 3.72 -0.02 4.28 -4.23 -1.26 -0.03 115.64 115.41 3kqk s THR 450 Ca 0.20 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 3kqk s THR 450 Cb 0.01 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.15 3kqk s THR 450 CO 0.14 0.20 0.27 0.54 -0.54 0.00 0.00 174.62 175.23 3kqk s VAL 451 N -1.19 0.06 0.13 2.29 0.11 0.86 -4.92 120.40 117.74 3kqk s VAL 451 Ca 0.22 -0.48 -0.34 0.00 -2.93 0.00 0.00 61.98 58.45 3kqk s VAL 451 Cb -0.11 -0.55 -0.13 0.00 -1.53 0.00 0.00 36.38 34.05 3kqk s VAL 451 CO 0.14 -0.27 1.64 -0.81 -3.33 0.00 0.00 175.10 172.46 3kqk n PRO 452 N 1.46 2.22 -0.74 1.54 -0.04 -1.26 -0.47 135.00 137.70 3kqk n PRO 452 Ca -0.21 0.80 -0.33 0.00 -0.04 0.00 0.00 63.50 63.73 3kqk n PRO 452 Cb 0.56 -2.59 0.14 0.00 -0.04 0.00 0.00 33.50 31.57 3kqk n PRO 452 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqk n GLN 453 N 3.95 -0.75 -3.78 0.54 10.64 -1.15 -4.71 117.38 122.13 3kqk n GLN 453 Ca 0.18 -0.18 -0.26 0.00 -1.83 0.00 0.00 57.00 54.91 3kqk n GLN 453 Cb 0.30 -1.84 0.01 0.00 -0.86 0.00 0.00 30.24 27.84 3kqk n GLN 453 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3kqk s ASP 454 N -2.00 4.67 0.17 2.61 1.47 -1.26 -3.00 116.67 119.33 3kqk s ASP 454 Ca 0.57 -1.23 -0.19 0.00 1.18 0.00 0.00 52.55 52.89 3kqk s ASP 454 Cb -0.19 0.50 0.10 0.00 -0.34 0.00 0.00 42.92 42.99 3kqk s ASP 454 CO 0.67 -1.19 1.64 0.00 0.68 0.00 0.00 175.17 176.97 3kqk h ALA 455 N 0.63 0.12 -0.71 2.11 0.00 -1.41 -0.25 119.26 119.75 3kqk h ALA 455 Ca -0.35 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kqk h ALA 455 Cb 1.30 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 3kqk h ALA 455 CO 0.54 -0.54 0.47 0.28 0.00 0.00 0.00 179.25 180.00 3kqk h VAL 456 N -0.11 1.11 0.44 0.00 2.07 -1.90 0.17 116.25 118.03 3kqk h VAL 456 Ca 0.20 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3kqk h VAL 456 Cb 0.41 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kqk h VAL 456 CO -0.47 0.16 -0.21 -1.28 0.02 0.00 0.00 177.57 175.79 3kqk h SER 457 N 0.87 -0.50 -0.68 0.57 0.87 -1.74 -1.36 113.55 111.58 3kqk h SER 457 Ca 0.28 -0.06 0.19 0.00 -1.23 0.00 0.00 61.79 60.97 3kqk h SER 457 Cb 0.05 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3kqk h SER 457 CO -0.08 -0.07 0.48 -0.09 -0.53 0.00 0.00 176.83 176.54 3kqk h ARG 458 N -1.09 0.06 0.01 2.24 2.43 -0.89 -1.43 114.38 115.71 3kqk h ARG 458 Ca -0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3kqk h ARG 458 Cb 0.53 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3kqk h ARG 458 CO 0.10 0.04 -0.01 0.77 -1.51 0.00 0.00 179.97 179.37 3kqk h SER 459 N 0.06 -0.01 -0.69 -3.80 0.02 -0.94 -2.43 113.55 105.76 3kqk h SER 459 Ca 0.32 -0.77 0.08 0.00 -0.84 0.00 0.00 61.79 60.58 3kqk h SER 459 Cb 1.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 3kqk h SER 459 CO -0.02 0.79 0.36 1.56 -1.14 0.00 0.00 176.83 178.37 3kqk h GLN 460 N -0.83 0.61 0.50 3.45 4.20 -0.49 0.21 115.11 122.75 3kqk h GLN 460 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3kqk h GLN 460 Cb 0.78 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3kqk h GLN 460 CO 0.00 0.41 -0.24 0.00 -0.67 0.00 0.00 178.83 178.33 3kqk h ARG 461 N 0.63 -0.65 -0.58 1.46 3.08 -1.41 -3.03 114.38 113.89 3kqk h ARG 461 Ca 0.33 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.59 3kqk h ARG 461 Cb 0.30 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3kqk h ARG 461 CO -0.23 -0.38 0.58 -0.09 -1.07 0.00 0.00 179.97 178.77 3kqk h ARG 462 N -1.12 0.00 0.00 0.04 2.43 -1.28 0.72 114.38 115.17 3kqk h ARG 462 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kqk h ARG 462 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3kqk h ARG 462 CO 0.11 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 3kqk n GLY 463 N -1.56 -0.82 0.20 2.80 0.00 0.71 -3.17 105.19 103.35 3kqk n GLY 463 Ca 0.11 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.13 3kqk n GLY 463 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqk n ARG 464 N -0.96 1.27 -3.99 1.61 5.12 0.24 -4.79 116.66 115.17 3kqk n ARG 464 Ca 0.18 -0.40 -0.13 0.00 -1.93 0.00 0.00 57.85 55.57 3kqk n ARG 464 Cb 0.08 -1.48 -0.14 0.00 -1.16 0.00 0.00 32.46 29.77 3kqk n ARG 464 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3kqk s THR 465 N -1.99 0.18 0.00 0.55 -1.32 -1.19 -2.53 115.64 109.34 3kqk s THR 465 Ca 0.43 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 3kqk s THR 465 Cb 0.21 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 71.01 3kqk s THR 465 CO 0.34 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 3kqk n GLY 466 N 2.77 1.97 3.35 6.08 0.00 -1.26 -4.82 105.19 113.28 3kqk n GLY 466 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3kqk n GLY 466 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqk s ARG 467 N -0.76 2.80 -0.85 1.61 0.52 -1.26 -4.37 118.95 116.63 3kqk s ARG 467 Ca 0.00 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 3kqk s ARG 467 Cb 0.00 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.59 3kqk s ARG 467 CO 0.00 -0.89 0.00 0.41 0.02 0.00 0.00 175.30 174.84 3kqk n GLY 468 N 5.04 1.00 3.59 -3.53 0.00 -1.26 -4.95 105.19 105.08 3kqk n GLY 468 Ca -0.11 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.28 3kqk n GLY 468 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kqk s ARG 469 N -2.65 0.18 0.01 1.61 1.70 -1.26 -5.14 118.95 113.40 3kqk s ARG 469 Ca 0.00 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 3kqk s ARG 469 Cb 0.00 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3kqk s ARG 469 CO 0.00 -0.08 1.16 1.41 -1.08 0.00 0.00 175.30 176.71 3kqk s MET 470 N -2.20 4.42 0.46 3.89 1.75 -1.26 -4.26 119.30 122.10 3kqk s MET 470 Ca 0.14 1.67 0.03 0.00 -1.25 0.00 0.00 55.69 56.28 3kqk s MET 470 Cb 0.05 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.26 3kqk s MET 470 CO -0.05 -0.29 0.08 0.20 -0.65 0.00 0.00 175.02 174.31 3kqk s GLY 471 N 1.20 2.82 0.15 2.11 0.00 0.16 -4.80 107.32 108.95 3kqk s GLY 471 Ca 0.56 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.49 3kqk s GLY 471 CO 0.26 -1.99 -0.08 -0.42 0.00 0.00 0.00 173.10 170.87 3kqk s ILE 472 N -3.06 1.05 -0.18 0.90 1.01 -0.87 -1.70 121.20 118.35 3kqk s ILE 472 Ca 0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 60.65 58.73 3kqk s ILE 472 Cb 0.02 -1.88 0.08 0.00 0.01 0.00 0.00 42.46 40.69 3kqk s ILE 472 CO 0.10 -0.72 0.18 -0.47 0.00 0.00 0.00 174.94 174.03 3kqk s TYR 473 N -3.41 -0.14 -0.22 3.97 5.04 -0.23 -1.78 117.35 120.58 3kqk s TYR 473 Ca 0.17 0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 3kqk s TYR 473 Cb 0.03 -0.44 -0.04 0.00 0.35 0.00 0.00 41.96 41.87 3kqk s TYR 473 CO 0.01 -0.54 0.08 1.03 -1.34 0.00 0.00 175.55 174.79 3kqk s ARG 474 N 2.27 3.84 0.39 4.97 0.52 0.47 0.79 118.95 132.20 3kqk s ARG 474 Ca 0.05 -0.40 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 3kqk s ARG 474 Cb -0.15 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 3kqk s ARG 474 CO -0.11 0.03 -0.01 -0.59 0.02 0.00 0.00 175.30 174.64 3kqk s PHE 475 N 1.06 2.49 -0.10 -0.53 -0.71 -1.05 -0.90 117.98 118.24 3kqk s PHE 475 Ca 0.05 -0.61 0.18 0.00 -1.04 0.00 0.00 56.93 55.50 3kqk s PHE 475 Cb -0.14 -1.67 -0.26 0.00 -1.21 0.00 0.00 43.02 39.74 3kqk s PHE 475 CO 0.03 0.48 0.25 0.28 -1.34 0.00 0.00 175.22 174.92 3kqk n VAL 476 N -0.93 0.60 -3.74 -2.49 0.31 -1.20 -2.35 118.33 108.52 3kqk n VAL 476 Ca -0.05 -0.59 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 3kqk n VAL 476 Cb 0.66 -0.23 -0.14 0.00 -0.91 0.00 0.00 33.84 33.22 3kqk n VAL 476 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kqk s THR 477 N -2.89 -0.04 -0.02 2.52 2.01 -1.26 -4.88 115.64 111.08 3kqk s THR 477 Ca -0.08 0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 3kqk s THR 477 Cb 0.09 -0.29 -0.14 0.00 0.01 0.00 0.00 72.50 72.17 3kqk s THR 477 CO 0.77 0.07 0.99 1.55 -0.69 0.00 0.00 174.62 177.30 3kqk h PRO 478 N 7.15 -0.43 -6.22 4.92 0.13 -2.01 -3.47 132.00 132.07 3kqk h PRO 478 Ca -0.41 0.03 -0.48 0.00 -0.87 0.00 0.00 66.00 64.26 3kqk h PRO 478 Cb 1.15 0.10 0.25 0.00 0.13 0.00 0.00 31.00 32.63 3kqk h PRO 478 CO 0.41 -0.11 -2.17 0.41 -0.23 0.00 0.00 178.00 176.31 3kqk n GLY 479 N 0.06 -2.91 3.60 1.56 0.00 -1.26 -5.04 105.19 101.18 3kqk n GLY 479 Ca -0.09 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 3kqk n GLY 479 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kqk s GLU 480 N -2.46 0.70 -0.06 1.61 -1.05 -1.26 -5.01 118.70 111.17 3kqk s GLU 480 Ca 0.43 0.47 -0.26 0.00 -0.15 0.00 0.00 54.97 55.46 3kqk s GLU 480 Cb 0.02 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 3kqk s GLU 480 CO 0.67 -0.16 0.80 0.50 0.95 0.00 0.00 175.26 178.02 3kqk s ARG 481 N -0.41 4.46 0.26 -4.83 3.52 -1.16 -4.86 118.95 115.91 3kqk s ARG 481 Ca -0.02 1.06 -0.31 0.00 -0.13 0.00 0.00 55.73 56.34 3kqk s ARG 481 Cb -0.03 -3.47 -0.12 0.00 -1.56 0.00 0.00 34.95 29.77 3kqk s ARG 481 CO 0.01 -0.02 1.55 -2.30 -0.81 0.00 0.00 175.30 173.72 3kqk n PRO 482 N 4.00 2.45 -1.07 5.12 -0.02 -1.26 -1.16 135.00 143.07 3kqk n PRO 482 Ca 0.02 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 3kqk n PRO 482 Cb 0.51 -2.62 0.15 0.00 -0.02 0.00 0.00 33.50 31.52 3kqk n PRO 482 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kqk s SER 483 N 0.52 3.27 0.00 2.55 1.04 -1.13 -4.53 113.70 115.42 3kqk s SER 483 Ca 0.67 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.74 3kqk s SER 483 Cb -0.56 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.27 3kqk s SER 483 CO 0.47 -2.79 0.00 0.61 0.98 0.00 0.00 173.24 172.51 3kqk n GLY 484 N -0.74 1.61 3.10 7.32 0.00 -1.26 0.33 105.19 115.54 3kqk n GLY 484 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3kqk n GLY 484 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kqk s MET 485 N -0.33 0.24 0.17 1.61 1.00 -1.26 -2.05 119.30 118.68 3kqk s MET 485 Ca 0.00 0.68 0.07 0.00 0.00 0.00 0.00 55.69 56.44 3kqk s MET 485 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 34.83 34.74 3kqk s MET 485 CO 0.00 -0.20 -0.15 -0.59 0.00 0.00 0.00 175.02 174.08 3kqk s PHE 486 N 1.70 1.64 0.57 -0.03 -0.12 -1.08 -4.98 117.98 115.68 3kqk s PHE 486 Ca -0.06 -0.55 -0.15 0.00 -0.05 0.00 0.00 56.93 56.12 3kqk s PHE 486 Cb -0.11 -0.80 -0.05 0.00 -0.63 0.00 0.00 43.02 41.43 3kqk s PHE 486 CO -0.10 0.28 1.02 0.34 -0.05 0.00 0.00 175.22 176.72 3kqk s ASP 487 N -2.91 6.20 0.52 1.98 2.15 -1.26 -4.55 116.67 118.79 3kqk s ASP 487 Ca 0.17 1.62 0.19 0.00 0.43 0.00 0.00 52.55 54.96 3kqk s ASP 487 Cb -0.03 -2.51 1.35 0.00 -0.30 0.00 0.00 42.92 41.43 3kqk s ASP 487 CO 0.05 -0.88 2.14 -1.28 -0.17 0.00 0.00 175.17 175.03 3kqk h SER 488 N 0.41 0.00 -0.02 -0.34 0.87 -1.93 -0.91 113.55 111.62 3kqk h SER 488 Ca -0.46 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.11 3kqk h SER 488 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3kqk h SER 488 CO 0.60 0.05 0.04 0.77 -0.53 0.00 0.00 176.83 177.75 3kqk h SER 489 N 0.00 0.00 -0.31 6.23 4.64 -1.92 0.75 113.55 122.95 3kqk h SER 489 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3kqk h SER 489 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3kqk h SER 489 CO 0.01 0.00 -0.32 0.58 -0.87 0.00 0.00 176.83 176.22 3kqk h VAL 490 N 0.00 1.28 -0.79 0.95 2.07 -1.47 -1.36 116.25 116.93 3kqk h VAL 490 Ca 0.01 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 3kqk h VAL 490 Cb 0.09 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3kqk h VAL 490 CO -0.00 0.49 0.34 -0.07 0.02 0.00 0.00 177.57 178.36 3kqk h LEU 491 N 0.70 1.07 -1.40 2.57 3.38 -0.98 -1.55 115.31 119.09 3kqk h LEU 491 Ca 0.07 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kqk h LEU 491 Cb 0.88 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3kqk h LEU 491 CO 0.08 0.93 0.42 0.00 0.09 0.00 0.00 178.44 179.96 3kqk h GLU 493 N 0.82 0.89 -0.60 0.00 5.08 -0.28 -2.02 114.58 118.47 3kqk h GLU 493 Ca 0.24 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kqk h GLU 493 Cb -0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3kqk h GLU 493 CO -0.06 0.89 0.28 0.00 -1.00 0.00 0.00 179.01 179.13 3kqk h TYR 495 N 0.83 1.00 -0.01 0.00 0.05 -1.40 0.17 116.97 117.60 3kqk h TYR 495 Ca 0.21 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3kqk h TYR 495 Cb 0.13 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 3kqk h TYR 495 CO 0.00 0.91 0.00 0.22 -1.05 0.00 0.00 178.16 178.25 3kqk h ASP 496 N 0.79 0.01 -0.27 3.88 1.82 -0.84 -0.54 116.42 121.28 3kqk h ASP 496 Ca 0.15 -0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.71 3kqk h ASP 496 Cb 0.51 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 3kqk h ASP 496 CO 0.02 0.02 -0.02 0.00 -1.61 0.00 0.00 179.24 177.65 3kqk h ALA 497 N 0.99 1.26 -0.18 -0.78 0.00 -0.37 0.33 119.26 120.50 3kqk h ALA 497 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3kqk h ALA 497 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kqk h ALA 497 CO -0.00 0.49 -0.10 0.78 0.00 0.00 0.00 179.25 180.43 3kqk h GLY 498 N 0.90 0.30 0.93 0.00 0.00 -0.26 0.32 103.07 105.26 3kqk h GLY 498 Ca 0.12 -0.18 -0.34 0.00 0.00 0.00 0.00 47.33 46.93 3kqk h GLY 498 CO 0.02 0.17 -1.68 0.00 0.00 0.00 0.00 176.54 175.05 3kqk h ALA 500 N 0.10 0.50 0.00 0.00 0.00 -0.30 -3.40 119.26 116.16 3kqk h ALA 500 Ca -0.33 -1.18 -0.13 0.00 0.00 0.00 0.00 54.91 53.27 3kqk h ALA 500 Cb 2.08 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 20.05 3kqk h ALA 500 CO 0.18 1.36 -1.45 0.91 0.00 0.00 0.00 179.25 180.25 3kqk n TRP 501 N -3.25 0.00 -0.64 0.00 7.02 0.10 -4.82 117.44 115.86 3kqk n TRP 501 Ca -0.11 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.46 3kqk n TRP 501 Cb 1.01 -0.30 0.33 0.00 -2.42 0.00 0.00 31.31 29.93 3kqk n TRP 501 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kqk n TYR 502 N -3.01 1.37 -4.16 -5.99 4.01 -0.77 -4.97 117.16 103.64 3kqk n TYR 502 Ca -0.15 -0.63 -0.33 0.00 -0.16 0.00 0.00 57.90 56.63 3kqk n TYR 502 Cb 0.63 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 3kqk n TYR 502 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kqk n GLU 503 N 0.89 -2.97 -3.85 -0.72 1.02 -0.84 -4.94 120.64 109.23 3kqk n GLU 503 Ca 0.24 0.35 -0.36 0.00 -0.02 0.00 0.00 57.16 57.38 3kqk n GLU 503 Cb 0.86 -4.80 -0.11 0.00 -0.02 0.00 0.00 31.44 27.38 3kqk n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kqk s LEU 504 N -7.19 3.63 0.75 -4.62 1.43 0.26 -5.01 118.68 107.94 3kqk s LEU 504 Ca 0.46 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 3kqk s LEU 504 Cb -0.25 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.06 3kqk s LEU 504 CO 0.92 0.04 1.16 0.42 0.23 0.00 0.00 176.35 179.12 3kqk s THR 505 N 1.17 2.61 0.23 5.49 -4.23 -1.26 -3.97 115.64 115.68 3kqk s THR 505 Ca 0.05 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.76 3kqk s THR 505 Cb -0.14 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 71.19 3kqk s THR 505 CO 0.04 -0.20 1.71 -0.65 -0.54 0.00 0.00 174.62 174.98 3kqk h PRO 506 N -0.63 0.34 -0.00 3.99 0.11 -1.92 -0.66 132.00 133.22 3kqk h PRO 506 Ca -0.46 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3kqk h PRO 506 Cb 1.27 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3kqk h PRO 506 CO 0.49 0.22 -0.20 0.00 -0.21 0.00 0.00 178.00 178.31 3kqk h ALA 507 N 1.53 -0.25 -0.58 -0.75 0.00 -1.90 -0.73 119.26 116.59 3kqk h ALA 507 Ca 0.38 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.40 3kqk h ALA 507 Cb 0.59 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3kqk h ALA 507 CO -0.42 -0.69 0.14 0.93 0.00 0.00 0.00 179.25 179.20 3kqk h GLU 508 N -0.32 0.27 -0.67 0.00 5.08 -1.67 0.20 114.58 117.47 3kqk h GLU 508 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kqk h GLU 508 Cb 0.40 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3kqk h GLU 508 CO -0.19 0.18 0.42 1.15 -1.00 0.00 0.00 179.01 179.57 3kqk h THR 509 N 0.27 1.18 -0.09 1.13 2.02 -0.56 -1.75 112.91 115.11 3kqk h THR 509 Ca 0.30 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3kqk h THR 509 Cb 0.43 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3kqk h THR 509 CO -0.37 0.18 -0.16 0.28 0.37 0.00 0.00 175.52 175.82 3kqk h SER 510 N 0.91 0.13 0.30 4.18 0.02 0.53 -1.63 113.55 117.99 3kqk h SER 510 Ca 0.24 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3kqk h SER 510 Cb -0.07 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3kqk h SER 510 CO -0.05 0.31 -0.14 0.58 -1.14 0.00 0.00 176.83 176.39 3kqk h VAL 511 N 0.13 0.72 -0.49 2.27 2.07 -0.91 0.13 116.25 120.16 3kqk h VAL 511 Ca 0.03 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3kqk h VAL 511 Cb 0.37 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3kqk h VAL 511 CO 0.02 0.02 -0.00 0.03 0.02 0.00 0.00 177.57 177.66 3kqk h ARG 512 N -0.46 0.83 -0.22 1.57 3.08 -1.45 -2.11 114.38 115.61 3kqk h ARG 512 Ca -0.04 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 3kqk h ARG 512 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kqk h ARG 512 CO 0.07 0.83 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.62 3kqk h LEU 513 N 0.77 0.48 -0.57 3.04 3.38 -1.22 -2.82 115.31 118.36 3kqk h LEU 513 Ca 0.15 -0.41 0.11 0.00 0.09 0.00 0.00 57.88 57.81 3kqk h LEU 513 Cb 0.47 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 3kqk h LEU 513 CO 0.02 0.78 0.09 -0.09 0.09 0.00 0.00 178.44 179.34 3kqk h ARG 514 N 0.17 0.21 -0.64 1.13 2.43 -0.52 0.80 114.38 117.95 3kqk h ARG 514 Ca 0.05 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3kqk h ARG 514 Cb 0.61 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3kqk h ARG 514 CO 0.03 0.14 0.38 0.00 -1.51 0.00 0.00 179.97 179.02 3kqk h ALA 515 N 1.47 0.84 -0.57 2.80 0.00 -1.32 0.71 119.26 123.20 3kqk h ALA 515 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kqk h ALA 515 Cb 0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3kqk h ALA 515 CO -0.41 0.11 0.33 -0.92 0.00 0.00 0.00 179.25 178.36 3kqk h TYR 516 N 0.74 0.77 0.00 0.00 5.03 -0.99 -2.34 116.97 120.18 3kqk h TYR 516 Ca 0.27 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.57 3kqk h TYR 516 Cb 0.07 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.10 3kqk h TYR 516 CO -0.06 0.54 0.00 1.28 -1.32 0.00 0.00 178.16 178.60 3kqk n LEU 517 N -4.62 0.63 -1.22 2.82 4.32 0.16 -2.80 117.00 116.29 3kqk n LEU 517 Ca 0.04 0.60 0.12 0.00 -0.02 0.00 0.00 56.01 56.74 3kqk n LEU 517 Cb 0.07 -0.45 0.26 0.00 -1.62 0.00 0.00 43.42 41.68 3kqk n LEU 517 CO 0.36 -0.32 0.73 -3.20 -1.22 0.00 0.00 177.39 173.75 3kqk n ASN 518 N -2.13 3.58 -4.27 -1.43 4.05 0.17 -4.86 115.26 110.36 3kqk n ASN 518 Ca 0.04 -1.99 -0.36 0.00 0.45 0.00 0.00 54.58 52.73 3kqk n ASN 518 Cb 0.32 -0.34 -0.14 0.00 1.23 0.00 0.00 39.78 40.85 3kqk n ASN 518 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3kqk s THR 519 N -1.31 3.37 0.73 -0.44 2.01 -1.04 -5.04 115.64 113.91 3kqk s THR 519 Ca 0.43 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 3kqk s THR 519 Cb 0.24 -2.69 0.04 0.00 0.01 0.00 0.00 72.50 70.10 3kqk s THR 519 CO 0.32 0.20 1.17 -2.84 -0.69 0.00 0.00 174.62 172.78 3kqk s PRO 520 N 1.42 2.22 0.00 4.92 0.02 -1.26 -3.85 135.00 138.47 3kqk s PRO 520 Ca 0.02 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.66 3kqk s PRO 520 Cb -0.16 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3kqk s PRO 520 CO -0.02 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.32 3kqk n GLY 521 N 0.07 0.62 3.48 0.52 0.00 -1.26 -5.05 105.19 103.56 3kqk n GLY 521 Ca 0.12 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 3kqk n GLY 521 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqk s LEU 522 N 0.00 2.61 0.31 0.99 1.43 -1.25 -4.66 118.68 118.11 3kqk s LEU 522 Ca 0.00 -1.15 -0.29 0.00 -1.03 0.00 0.00 54.13 51.66 3kqk s LEU 522 Cb 0.00 -0.87 -0.12 0.00 0.03 0.00 0.00 46.19 45.22 3kqk s LEU 522 CO 0.00 -0.20 1.40 -2.65 0.23 0.00 0.00 176.35 175.13 3kqk n PRO 523 N -0.66 2.28 -4.09 1.29 -0.02 -1.26 -4.92 135.00 127.62 3kqk n PRO 523 Ca -0.05 0.80 -0.22 0.00 -2.02 0.00 0.00 63.50 62.01 3kqk n PRO 523 Cb 0.63 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 3kqk n PRO 523 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kqk s VAL 524 N -0.60 4.58 -0.10 -1.45 -7.23 -0.87 -4.94 120.40 109.79 3kqk s VAL 524 Ca 0.60 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 3kqk s VAL 524 Cb -0.57 -3.47 0.10 0.00 0.56 0.00 0.00 36.38 33.00 3kqk s VAL 524 CO 0.56 -0.33 0.82 0.00 -0.31 0.00 0.00 175.10 175.84 3kqk n GLN 526 N 0.88 1.70 -2.12 0.00 6.02 -1.26 -4.83 117.38 117.76 3kqk n GLN 526 Ca -0.15 0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 57.06 3kqk n GLN 526 Cb 0.57 -2.33 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 3kqk n GLN 526 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kqk s ASP 527 N 0.87 5.50 -0.13 1.08 -1.08 -1.26 -4.77 116.67 116.87 3kqk s ASP 527 Ca 0.82 0.37 0.15 0.00 -0.52 0.00 0.00 52.55 53.37 3kqk s ASP 527 Cb -0.81 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 38.43 3kqk s ASP 527 CO 0.43 -2.19 1.16 1.41 0.52 0.00 0.00 175.17 176.49 3kqk n HIS 528 N 11.87 0.00 -0.25 -5.34 8.25 -1.26 -4.79 115.22 123.70 3kqk n HIS 528 Ca 0.18 -1.02 -0.01 0.00 -0.26 0.00 0.00 57.72 56.61 3kqk n HIS 528 Cb 0.51 -0.17 0.11 0.00 1.12 0.00 0.00 29.99 31.56 3kqk n HIS 528 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kqk h LEU 529 N 0.36 0.62 -0.55 2.41 3.38 -1.99 -0.70 115.31 118.83 3kqk h LEU 529 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kqk h LEU 529 Cb 1.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3kqk h LEU 529 CO 0.01 0.39 0.25 -0.08 0.09 0.00 0.00 178.44 179.10 3kqk h GLU 530 N 0.75 0.80 0.65 1.13 4.81 -1.99 0.70 114.58 121.44 3kqk h GLU 530 Ca 0.32 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3kqk h GLU 530 Cb 0.20 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.44 3kqk h GLU 530 CO -0.19 0.67 -0.31 0.35 -0.73 0.00 0.00 179.01 178.80 3kqk h PHE 531 N 0.75 -0.81 -0.95 0.92 3.57 -1.83 -1.67 116.94 116.92 3kqk h PHE 531 Ca 0.19 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.79 3kqk h PHE 531 Cb 0.14 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 3kqk h PHE 531 CO -0.00 -0.51 0.57 -1.49 -2.23 0.00 0.00 178.31 174.66 3kqk h TRP 532 N -1.14 1.03 -0.53 0.41 -0.00 -1.16 -0.64 115.95 113.92 3kqk h TRP 532 Ca -0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.81 3kqk h TRP 532 Cb 0.67 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.49 3kqk h TRP 532 CO 0.02 0.38 0.24 1.49 -0.00 0.00 0.00 178.44 180.56 3kqk h GLU 533 N 0.89 0.78 -0.78 0.49 4.81 -0.85 -1.80 114.58 118.12 3kqk h GLU 533 Ca 0.48 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 3kqk h GLU 533 Cb 0.51 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3kqk h GLU 533 CO -0.28 0.66 0.28 0.66 -0.73 0.00 0.00 179.01 179.61 3kqk h SER 534 N 0.72 1.10 0.27 1.04 4.64 -0.29 -1.71 113.55 119.31 3kqk h SER 534 Ca 0.18 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3kqk h SER 534 Cb 0.16 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3kqk h SER 534 CO -0.02 1.00 -0.13 0.58 -0.87 0.00 0.00 176.83 177.39 3kqk h VAL 535 N 1.15 0.74 0.00 0.95 2.07 -0.73 -2.69 116.25 117.73 3kqk h VAL 535 Ca 0.26 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 3kqk h VAL 535 Cb 0.26 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kqk h VAL 535 CO -0.02 0.00 -0.12 -0.26 0.02 0.00 0.00 177.57 177.20 3kqk h PHE 536 N -0.36 0.00 0.00 1.57 -1.00 -1.13 -1.93 116.94 114.08 3kqk h PHE 536 Ca -0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3kqk h PHE 536 Cb 0.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 3kqk h PHE 536 CO -0.06 0.12 -0.11 1.15 -1.61 0.00 0.00 178.31 177.80 3kqk h THR 537 N 0.00 0.91 0.00 -1.55 2.02 -0.97 -1.75 112.91 111.57 3kqk h THR 537 Ca -0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3kqk h THR 537 Cb 0.30 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3kqk h THR 537 CO 0.02 0.11 -0.44 0.61 0.37 0.00 0.00 175.52 176.19 3kqk n GLY 538 N -1.10 -1.34 2.75 2.16 0.00 -0.73 -4.45 105.19 102.49 3kqk n GLY 538 Ca -0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3kqk n GLY 538 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kqk n LEU 539 N -1.66 7.03 -4.95 0.99 4.77 -0.66 -4.97 117.00 117.55 3kqk n LEU 539 Ca 0.05 -4.62 -0.24 0.00 -0.03 0.00 0.00 56.01 51.18 3kqk n LEU 539 Cb 0.36 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 39.95 3kqk n LEU 539 CO 0.34 1.50 0.05 0.42 -1.33 0.00 0.00 177.39 178.37 3kqk s THR 540 N 0.51 5.19 -1.26 -5.08 -4.23 -1.26 -4.53 115.64 104.98 3kqk s THR 540 Ca 0.44 -0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 3kqk s THR 540 Cb 0.12 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 70.14 3kqk s THR 540 CO -0.03 -0.37 0.76 1.41 -0.54 0.00 0.00 174.62 175.86 3kqk n HIS 541 N -1.33 -2.07 -0.74 3.99 8.25 -1.26 -4.98 115.22 117.08 3kqk n HIS 541 Ca -0.06 0.65 -0.31 0.00 -0.26 0.00 0.00 57.72 57.74 3kqk n HIS 541 Cb 0.56 -4.23 0.16 0.00 1.12 0.00 0.00 29.99 27.60 3kqk n HIS 541 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kqk s ILE 542 N -3.18 2.16 -0.25 1.59 2.07 -1.26 -4.90 121.20 117.42 3kqk s ILE 542 Ca 0.38 0.05 -0.28 0.00 -1.41 0.00 0.00 60.65 59.39 3kqk s ILE 542 Cb -0.17 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.32 3kqk s ILE 542 CO 0.47 -0.07 1.02 -0.62 -1.91 0.00 0.00 174.94 173.83 3kqk s ASP 543 N -2.73 7.02 0.21 4.50 2.15 -1.26 -4.93 116.67 121.63 3kqk s ASP 543 Ca 0.66 1.25 -0.10 0.00 0.43 0.00 0.00 52.55 54.80 3kqk s ASP 543 Cb -0.22 -2.53 0.29 0.00 -0.30 0.00 0.00 42.92 40.16 3kqk s ASP 543 CO 0.58 -0.70 1.71 0.00 -0.17 0.00 0.00 175.17 176.59 3kqk h ALA 544 N 7.64 0.72 0.29 3.66 0.00 -1.99 -1.29 119.26 128.29 3kqk h ALA 544 Ca -0.20 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kqk h ALA 544 Cb 1.06 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kqk h ALA 544 CO 0.98 -0.30 -0.14 1.25 0.00 0.00 0.00 179.25 181.05 3kqk h HIS 545 N 0.27 -0.36 -0.58 0.00 6.17 -2.00 -1.68 115.15 116.98 3kqk h HIS 545 Ca 0.31 -0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.47 3kqk h HIS 545 Cb 0.46 0.12 -0.07 0.00 2.52 0.00 0.00 27.41 30.44 3kqk h HIS 545 CO -0.24 -0.16 0.23 0.74 0.71 0.00 0.00 177.93 179.21 3kqk h PHE 546 N -0.48 0.41 -0.49 5.26 0.05 -1.85 -1.55 116.94 118.30 3kqk h PHE 546 Ca -0.04 0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.83 3kqk h PHE 546 Cb 0.36 -0.10 -0.05 0.00 2.00 0.00 0.00 35.95 38.17 3kqk h PHE 546 CO -0.03 0.13 0.23 1.25 -0.18 0.00 0.00 178.31 179.70 3kqk h LEU 547 N 0.43 0.30 -0.56 1.54 6.46 -1.10 -1.00 115.31 121.38 3kqk h LEU 547 Ca 0.29 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 58.14 3kqk h LEU 547 Cb 0.32 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 3kqk h LEU 547 CO -0.27 0.21 0.27 -1.28 -0.62 0.00 0.00 178.44 176.75 3kqk h SER 548 N 0.44 0.37 -0.43 1.25 0.87 -0.53 -1.71 113.55 113.81 3kqk h SER 548 Ca 0.22 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 3kqk h SER 548 Cb 0.16 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kqk h SER 548 CO -0.18 0.25 -0.06 1.56 -0.53 0.00 0.00 176.83 177.87 3kqk h GLN 549 N 0.51 0.81 -0.27 2.24 4.20 -0.35 0.18 115.11 122.42 3kqk h GLN 549 Ca 0.26 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 3kqk h GLN 549 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kqk h GLN 549 CO -0.19 0.90 -0.29 1.79 -0.67 0.00 0.00 178.83 180.37 3kqk h THR 550 N 0.64 1.28 -0.18 -0.54 1.35 -1.10 0.40 112.91 114.76 3kqk h THR 550 Ca 0.12 -1.36 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 3kqk h THR 550 Cb 0.57 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3kqk h THR 550 CO 0.03 0.43 -0.01 0.11 -0.25 0.00 0.00 175.52 175.84 3kqk h LYS 551 N 0.48 0.32 -0.06 4.72 1.57 -1.16 -2.71 116.57 119.73 3kqk h LYS 551 Ca 0.06 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3kqk h LYS 551 Cb 0.74 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3kqk h LYS 551 CO 0.06 0.55 -0.11 0.37 -0.57 0.00 0.00 179.45 179.75 3kqk h GLN 552 N 0.06 0.09 0.00 3.15 4.15 -0.74 -1.11 115.11 120.70 3kqk h GLN 552 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3kqk h GLN 552 Cb 0.41 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.09 3kqk h GLN 552 CO 0.01 0.20 0.00 0.00 -1.93 0.00 0.00 178.83 177.12 3kqk n ALA 553 N -2.51 2.09 -1.53 3.38 0.00 0.11 -4.89 120.51 117.16 3kqk n ALA 553 Ca -0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 3kqk n ALA 553 Cb 0.21 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3kqk n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqk n GLY 554 N 0.96 0.95 3.77 0.00 0.00 -0.42 -4.98 105.19 105.46 3kqk n GLY 554 Ca 0.06 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3kqk n GLY 554 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqk s ASP 555 N -2.79 6.88 0.45 1.61 1.11 -1.11 -5.00 116.67 117.82 3kqk s ASP 555 Ca 0.00 2.14 -0.23 0.00 0.18 0.00 0.00 52.55 54.64 3kqk s ASP 555 Cb 0.00 -2.60 -0.08 0.00 1.07 0.00 0.00 42.92 41.31 3kqk s ASP 555 CO 0.00 -0.41 1.14 0.20 1.18 0.00 0.00 175.17 177.28 3kqk s ASN 556 N -1.31 6.30 -1.35 0.27 0.02 -1.26 -3.20 114.94 114.42 3kqk s ASN 556 Ca 0.54 2.25 -0.05 0.00 -1.02 0.00 0.00 52.86 54.58 3kqk s ASN 556 Cb -0.26 -2.60 0.02 0.00 0.02 0.00 0.00 41.25 38.43 3kqk s ASN 556 CO 0.33 -0.82 0.94 0.49 0.02 0.00 0.00 177.10 178.05 3kqk n PHE 557 N -0.39 -2.28 -0.28 2.20 3.01 -1.26 -4.82 117.46 113.65 3kqk n PHE 557 Ca 0.07 0.92 0.19 0.00 1.01 0.00 0.00 57.45 59.64 3kqk n PHE 557 Cb 0.48 -4.59 0.49 0.00 -0.01 0.00 0.00 39.48 35.85 3kqk n PHE 557 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kqk h PRO 558 N -2.11 0.43 -0.14 -1.08 0.13 -1.86 0.05 132.00 127.43 3kqk h PRO 558 Ca -0.59 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.48 3kqk h PRO 558 Cb 1.36 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kqk h PRO 558 CO 0.57 0.28 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.67 3kqk h TYR 559 N 0.44 0.30 -0.56 1.56 3.20 -1.90 0.44 116.97 120.46 3kqk h TYR 559 Ca 0.51 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 3kqk h TYR 559 Cb 1.23 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3kqk h TYR 559 CO -0.00 0.57 0.27 -0.07 -1.64 0.00 0.00 178.16 177.28 3kqk h LEU 560 N -0.05 0.73 0.11 2.82 3.38 -1.64 0.20 115.31 120.85 3kqk h LEU 560 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kqk h LEU 560 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kqk h LEU 560 CO 0.01 0.65 -0.05 0.58 0.09 0.00 0.00 178.44 179.73 3kqk h VAL 561 N 0.75 1.00 -0.44 1.22 2.07 -0.96 -1.68 116.25 118.20 3kqk h VAL 561 Ca 0.19 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3kqk h VAL 561 Cb 0.12 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3kqk h VAL 561 CO -0.02 0.10 0.22 0.00 0.02 0.00 0.00 177.57 177.89 3kqk h ALA 562 N 0.54 1.56 -0.33 1.67 0.00 0.05 -1.31 119.26 121.44 3kqk h ALA 562 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3kqk h ALA 562 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kqk h ALA 562 CO 0.02 0.36 -0.13 -0.92 0.00 0.00 0.00 179.25 178.58 3kqk h TYR 563 N 0.62 0.77 -0.27 0.00 3.20 -0.41 0.12 116.97 120.98 3kqk h TYR 563 Ca 0.16 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.85 3kqk h TYR 563 Cb 0.05 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3kqk h TYR 563 CO 0.00 0.87 0.17 0.37 -1.64 0.00 0.00 178.16 177.94 3kqk h GLN 564 N 0.45 0.34 -0.58 1.82 5.75 -0.98 0.13 115.11 122.03 3kqk h GLN 564 Ca 0.08 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3kqk h GLN 564 Cb 0.65 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 3kqk h GLN 564 CO 0.04 0.23 0.38 0.00 -2.65 0.00 0.00 178.83 176.83 3kqk h ALA 565 N 1.11 1.66 -0.53 3.38 0.00 -1.01 0.09 119.26 123.95 3kqk h ALA 565 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kqk h ALA 565 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kqk h ALA 565 CO -0.03 0.29 0.18 1.15 0.00 0.00 0.00 179.25 180.83 3kqk h THR 566 N 0.72 1.23 0.09 0.00 2.02 0.66 -1.86 112.91 115.77 3kqk h THR 566 Ca 0.23 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 3kqk h THR 566 Cb 0.02 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3kqk h THR 566 CO -0.06 0.28 -0.05 0.58 0.37 0.00 0.00 175.52 176.65 3kqk h VAL 567 N 0.73 1.11 -0.14 3.16 2.07 -0.37 -1.86 116.25 120.96 3kqk h VAL 567 Ca 0.17 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3kqk h VAL 567 Cb 0.26 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 3kqk h VAL 567 CO -0.01 0.19 -0.47 0.00 0.02 0.00 0.00 177.57 177.31 3kqk h ALA 569 N -0.02 1.01 0.00 0.00 0.00 -1.38 0.24 119.26 119.11 3kqk h ALA 569 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kqk h ALA 569 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kqk h ALA 569 CO -0.42 -0.09 0.00 -2.13 0.00 0.00 0.00 179.25 176.62 3kqk n ARG 570 N -4.90 0.14 -0.06 0.00 3.00 -0.66 -1.08 116.66 113.09 3kqk n ARG 570 Ca 0.12 0.54 0.08 0.00 -0.00 0.00 0.00 57.85 58.58 3kqk n ARG 570 Cb 0.31 -1.87 0.11 0.00 0.00 0.00 0.00 32.46 31.02 3kqk n ARG 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kqk n ALA 571 N -1.74 2.21 -3.26 5.13 0.00 0.67 -4.96 120.51 118.57 3kqk n ALA 571 Ca 0.00 -2.23 -0.18 0.00 0.00 0.00 0.00 53.44 51.03 3kqk n ALA 571 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 3kqk n ALA 571 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kqk n GLN 572 N -1.18 -2.42 -4.24 0.00 1.13 -0.24 -4.91 117.38 105.51 3kqk n GLN 572 Ca 0.12 0.20 -0.33 0.00 -1.94 0.00 0.00 57.00 55.06 3kqk n GLN 572 Cb 0.55 -4.78 -0.08 0.00 0.11 0.00 0.00 30.24 26.04 3kqk n GLN 572 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kqk s ALA 573 N -2.61 3.34 0.76 -1.58 0.00 -0.12 -0.97 121.76 120.58 3kqk s ALA 573 Ca 0.32 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 3kqk s ALA 573 Cb -0.18 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.60 3kqk s ALA 573 CO 0.40 0.66 1.11 -1.25 0.00 0.00 0.00 175.76 176.68 3kqk s PRO 574 N -1.61 2.23 0.87 0.00 0.04 -1.26 -4.21 135.00 131.06 3kqk s PRO 574 Ca 0.20 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 3kqk s PRO 574 Cb -0.12 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.65 3kqk s PRO 574 CO 0.11 -1.69 1.14 -1.25 0.04 0.00 0.00 177.00 175.35 3kqk s PRO 575 N -4.56 1.48 0.49 0.56 0.04 -1.26 -4.36 135.00 127.39 3kqk s PRO 575 Ca 0.65 0.31 0.30 0.00 0.04 0.00 0.00 61.00 62.29 3kqk s PRO 575 Cb -0.20 -1.88 1.39 0.00 0.04 0.00 0.00 34.50 33.86 3kqk s PRO 575 CO 0.51 -1.97 1.81 -1.35 0.04 0.00 0.00 177.00 176.04 3kqk h PRO 576 N -1.33 0.13 -2.41 0.56 0.11 -1.94 -3.44 132.00 123.68 3kqk h PRO 576 Ca -0.49 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.78 3kqk h PRO 576 Cb 1.32 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 3kqk h PRO 576 CO 0.62 0.08 0.54 -1.54 -0.21 0.00 0.00 178.00 177.50 3kqk s SER 577 N -5.27 -0.08 -0.50 -2.05 1.04 -1.26 -1.13 113.70 104.45 3kqk s SER 577 Ca -0.06 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.85 3kqk s SER 577 Cb 0.24 0.49 0.48 0.00 0.10 0.00 0.00 66.02 67.32 3kqk s SER 577 CO 0.80 -0.94 1.71 0.79 0.98 0.00 0.00 173.24 176.58 3kqk n TRP 578 N -0.58 2.84 -1.52 5.02 7.02 -1.26 -4.77 117.44 124.19 3kqk n TRP 578 Ca -0.05 -2.54 -0.32 0.00 -1.02 0.00 0.00 57.50 53.58 3kqk n TRP 578 Cb 0.60 -0.98 0.06 0.00 -2.42 0.00 0.00 31.31 28.58 3kqk n TRP 578 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3kqk s ASP 579 N -2.39 4.98 0.66 -0.99 -1.08 -1.26 -4.88 116.67 111.70 3kqk s ASP 579 Ca 0.58 1.80 0.27 0.00 -0.52 0.00 0.00 52.55 54.68 3kqk s ASP 579 Cb 0.47 -2.52 1.46 0.00 -1.46 0.00 0.00 42.92 40.86 3kqk s ASP 579 CO 0.02 -1.71 1.83 -0.61 0.52 0.00 0.00 175.17 175.21 3kqk h GLN 580 N -0.63 0.00 0.00 4.34 5.75 -2.03 -0.94 115.11 121.60 3kqk h GLN 580 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3kqk h GLN 580 Cb 1.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.78 3kqk h GLN 580 CO 0.54 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.72 3kqk n MET 581 N -2.95 0.86 -0.04 1.69 0.00 -1.26 -2.89 117.12 112.53 3kqk n MET 581 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.71 3kqk n MET 581 Cb 0.48 -1.30 0.02 0.00 0.00 0.00 0.00 33.22 32.42 3kqk n MET 581 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3kqk n TRP 582 N -0.80 0.00 0.05 3.17 7.02 -0.36 -4.78 117.44 121.73 3kqk n TRP 582 Ca 0.13 -0.48 0.03 0.00 -1.02 0.00 0.00 57.50 56.15 3kqk n TRP 582 Cb 0.06 -0.06 0.14 0.00 -2.42 0.00 0.00 31.31 29.03 3kqk n TRP 582 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 3kqk n LYS 583 N -0.56 0.03 0.00 -0.99 2.85 -1.14 -1.33 118.16 117.02 3kqk n LYS 583 Ca 0.03 0.45 0.16 0.00 -1.05 0.00 0.00 58.31 57.90 3kqk n LYS 583 Cb 0.38 -1.74 0.94 0.00 -0.65 0.00 0.00 35.03 33.97 3kqk n LYS 583 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kqk n LEU 585 N -1.01 0.89 -0.21 0.00 4.77 -0.45 -4.77 117.00 116.22 3kqk n LEU 585 Ca 0.24 -0.81 0.02 0.00 -0.03 0.00 0.00 56.01 55.42 3kqk n LEU 585 Cb 0.12 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 3kqk n LEU 585 CO 0.18 0.20 0.84 -0.29 -1.33 0.00 0.00 177.39 176.99 3kqk h ILE 586 N 0.48 0.47 0.00 -0.08 6.09 -1.66 0.25 117.51 123.06 3kqk h ILE 586 Ca 0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 3kqk h ILE 586 Cb 0.13 0.34 0.00 0.00 0.47 0.00 0.00 36.82 37.76 3kqk h ILE 586 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 3kqk n ARG 587 N -5.28 0.01 -0.00 2.19 1.74 -1.26 -1.74 116.66 112.32 3kqk n ARG 587 Ca 0.10 0.47 0.08 0.00 -0.77 0.00 0.00 57.85 57.73 3kqk n ARG 587 Cb 0.37 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.34 3kqk n ARG 587 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kqk n LEU 588 N -1.57 2.40 -0.23 0.55 4.77 0.85 -4.67 117.00 119.10 3kqk n LEU 588 Ca 0.00 -1.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.01 3kqk n LEU 588 Cb 0.03 -0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 3kqk n LEU 588 CO 0.03 0.43 0.85 0.50 -1.33 0.00 0.00 177.39 177.86 3kqk h LYS 589 N 3.29 0.13 -0.97 3.23 3.64 -1.21 -2.34 116.57 122.33 3kqk h LYS 589 Ca 0.00 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.58 3kqk h LYS 589 Cb 0.70 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.38 3kqk h LYS 589 CO 0.00 0.09 0.56 -1.35 -2.27 0.00 0.00 179.45 176.48 3kqk h PRO 590 N 0.14 0.63 -0.60 1.90 0.11 -1.83 -2.22 132.00 130.12 3kqk h PRO 590 Ca 0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3kqk h PRO 590 Cb 0.62 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3kqk h PRO 590 CO -0.57 0.41 0.00 0.25 -0.21 0.00 0.00 178.00 177.88 3kqk n THR 591 N -4.85 0.80 -3.66 -1.15 -2.24 -0.90 -4.88 114.28 97.40 3kqk n THR 591 Ca 0.24 -0.86 -0.38 0.00 -2.27 0.00 0.00 64.05 60.78 3kqk n THR 591 Cb 0.62 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.30 3kqk n THR 591 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kqk s LEU 592 N -1.12 3.97 0.20 3.22 1.43 -0.83 -4.79 118.68 120.75 3kqk s LEU 592 Ca 0.44 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3kqk s LEU 592 Cb 0.23 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3kqk s LEU 592 CO 0.31 -0.14 0.08 -1.38 0.23 0.00 0.00 176.35 175.45 3kqk s HIS 593 N 1.64 1.23 0.00 0.29 -3.43 -0.15 -4.46 115.29 110.41 3kqk s HIS 593 Ca 0.05 -1.22 0.00 0.00 -0.80 0.00 0.00 55.06 53.10 3kqk s HIS 593 Cb -0.16 -0.67 0.00 0.00 -1.43 0.00 0.00 32.58 30.31 3kqk s HIS 593 CO 0.07 -0.43 0.00 0.41 -2.00 0.00 0.00 174.74 172.78 3kqk n GLY 594 N -0.29 -2.13 3.78 -1.38 0.00 -1.26 -4.02 105.19 99.89 3kqk n GLY 594 Ca -0.02 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 3kqk n GLY 594 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kqk s PRO 595 N -0.14 2.81 -0.06 1.61 0.02 -1.26 -4.25 135.00 133.72 3kqk s PRO 595 Ca 0.00 1.31 -0.20 0.00 0.02 0.00 0.00 61.00 62.13 3kqk s PRO 595 Cb 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 3kqk s PRO 595 CO 0.00 -1.23 0.57 0.99 -0.33 0.00 0.00 177.00 177.00 3kqk s THR 596 N -2.48 5.04 -0.96 0.99 2.01 -0.12 -4.51 115.64 115.62 3kqk s THR 596 Ca 0.65 1.17 -0.24 0.00 0.31 0.00 0.00 61.69 63.58 3kqk s THR 596 Cb -0.19 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.43 3kqk s THR 596 CO 0.44 0.36 1.63 -2.84 -0.69 0.00 0.00 174.62 173.52 3kqk s PRO 597 N 0.26 3.18 -0.12 4.92 0.02 -1.26 -0.81 135.00 141.20 3kqk s PRO 597 Ca 0.30 -0.75 -0.30 0.00 0.02 0.00 0.00 61.00 60.28 3kqk s PRO 597 Cb -0.17 -5.19 -0.02 0.00 0.02 0.00 0.00 34.50 29.14 3kqk s PRO 597 CO 0.15 -2.64 1.23 -1.17 -0.33 0.00 0.00 177.00 174.24 3kqk s LEU 598 N 6.94 4.22 -0.19 -5.54 2.96 -1.14 -4.85 118.68 121.09 3kqk s LEU 598 Ca 0.55 1.74 0.04 0.00 -0.22 0.00 0.00 54.13 56.24 3kqk s LEU 598 Cb -0.03 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.90 3kqk s LEU 598 CO -0.05 -0.68 0.09 0.18 -1.32 0.00 0.00 176.35 174.57 3kqk n LEU 599 N 5.97 2.07 -3.83 -0.68 4.77 -1.26 -4.73 117.00 119.32 3kqk n LEU 599 Ca 0.13 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.12 3kqk n LEU 599 Cb 0.45 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3kqk n LEU 599 CO 0.55 0.77 0.79 -0.72 -1.33 0.00 0.00 177.39 177.46 3kqk s TYR 600 N -2.53 0.00 -0.29 -1.77 -0.85 -1.26 -4.56 117.35 106.08 3kqk s TYR 600 Ca -0.23 -0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 55.92 3kqk s TYR 600 Cb 0.08 0.68 0.03 0.00 0.38 0.00 0.00 41.96 43.13 3kqk s TYR 600 CO 0.72 -0.87 0.01 1.03 -1.52 0.00 0.00 175.55 174.92 3kqk s ARG 601 N -2.55 2.68 -0.75 -3.49 0.52 -0.63 -5.00 118.95 109.72 3kqk s ARG 601 Ca 0.18 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 3kqk s ARG 601 Cb -0.02 -3.21 0.26 0.00 0.52 0.00 0.00 34.95 32.50 3kqk s ARG 601 CO 0.04 -0.54 0.90 1.28 0.02 0.00 0.00 175.30 177.00 3kqk n LEU 602 N 4.71 4.35 0.00 2.53 4.77 -1.26 -0.58 117.00 131.52 3kqk n LEU 602 Ca -0.14 -5.38 0.00 0.00 -0.03 0.00 0.00 56.01 50.46 3kqk n LEU 602 Cb 0.45 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3kqk n LEU 602 CO 0.28 1.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.90 3kqk n GLY 603 N 1.05 -1.18 3.77 -0.72 0.00 -1.24 -5.00 105.19 101.86 3kqk n GLY 603 Ca 0.28 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 3kqk n GLY 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqk s ALA 604 N -2.00 3.28 -0.30 4.61 0.00 -1.26 -5.02 121.76 121.07 3kqk s ALA 604 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3kqk s ALA 604 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.72 3kqk s ALA 604 CO 0.00 -0.77 -0.03 0.08 0.00 0.00 0.00 175.76 175.04 3kqk s VAL 605 N -1.26 2.37 -0.16 0.00 1.01 -1.26 -4.65 120.40 116.44 3kqk s VAL 605 Ca 0.56 -1.85 0.20 0.00 0.00 0.00 0.00 61.98 60.89 3kqk s VAL 605 Cb -0.37 -2.52 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 3kqk s VAL 605 CO 0.48 -0.26 0.84 0.00 0.00 0.00 0.00 175.10 176.17 3kqk n GLN 606 N 4.41 0.62 -2.57 2.72 1.13 -0.34 -4.94 117.38 118.41 3kqk n GLN 606 Ca -0.08 0.10 -0.28 0.00 -1.94 0.00 0.00 57.00 54.80 3kqk n GLN 606 Cb 0.42 -1.76 -0.00 0.00 0.11 0.00 0.00 30.24 29.00 3kqk n GLN 606 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3kqk s ASN 607 N -5.38 6.30 0.53 1.08 3.04 -0.28 -5.02 114.94 115.21 3kqk s ASN 607 Ca -0.03 1.03 -0.21 0.00 0.04 0.00 0.00 52.86 53.69 3kqk s ASN 607 Cb 0.10 -2.29 -0.05 0.00 -1.54 0.00 0.00 41.25 37.46 3kqk s ASN 607 CO 0.82 -0.59 1.21 -1.83 -3.04 0.00 0.00 177.10 173.67 3kqk s GLU 608 N -4.65 3.31 0.09 0.43 -1.05 -1.26 -4.87 118.70 110.70 3kqk s GLU 608 Ca 0.49 1.84 0.08 0.00 -0.15 0.00 0.00 54.97 57.23 3kqk s GLU 608 Cb -0.10 -2.15 -0.04 0.00 -0.44 0.00 0.00 34.13 31.40 3kqk s GLU 608 CO 0.44 -0.94 -0.18 0.08 0.95 0.00 0.00 175.26 175.62 3kqk s VAL 609 N -1.56 2.86 0.32 1.83 1.01 -1.26 -0.94 120.40 122.66 3kqk s VAL 609 Ca 0.71 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3kqk s VAL 609 Cb -0.30 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 3kqk s VAL 609 CO 0.35 0.19 -0.03 0.28 0.00 0.00 0.00 175.10 175.89 3kqk s THR 610 N -1.07 1.67 -0.00 3.92 -1.32 0.01 -4.80 115.64 114.06 3kqk s THR 610 Ca 0.17 -2.09 0.01 0.00 -1.21 0.00 0.00 61.69 58.57 3kqk s THR 610 Cb -0.11 -2.64 0.01 0.00 -1.51 0.00 0.00 72.50 68.25 3kqk s THR 610 CO 0.09 -0.17 0.72 0.41 -2.21 0.00 0.00 174.62 173.46 3kqk n THR 611 N -0.70 0.11 0.86 5.08 -1.04 -1.26 -2.88 114.28 114.45 3kqk n THR 611 Ca -0.05 -0.12 0.14 0.00 -2.04 0.00 0.00 64.05 61.98 3kqk n THR 611 Cb 0.65 0.76 0.53 0.00 -1.82 0.00 0.00 70.33 70.44 3kqk n THR 611 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kqk n THR 612 N -0.07 0.21 -1.94 12.58 -2.24 -1.26 -4.59 114.28 116.97 3kqk n THR 612 Ca 0.00 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3kqk n THR 612 Cb 0.56 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 3kqk n THR 612 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kqk s HIS 613 N -3.04 3.00 0.30 4.78 5.04 -1.26 -4.90 115.29 119.21 3kqk s HIS 613 Ca 0.13 0.82 0.05 0.00 -1.54 0.00 0.00 55.06 54.51 3kqk s HIS 613 Cb 0.17 -3.90 0.76 0.00 0.04 0.00 0.00 32.58 29.65 3kqk s HIS 613 CO 0.56 -3.13 1.69 -1.35 -2.34 0.00 0.00 174.74 170.17 3kqk h PRO 614 N 5.77 0.36 -0.29 2.88 0.11 -2.00 -0.71 132.00 138.12 3kqk h PRO 614 Ca -0.45 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3kqk h PRO 614 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kqk h PRO 614 CO 0.84 0.24 -0.04 0.82 -0.21 0.00 0.00 178.00 179.65 3kqk h ILE 615 N 0.37 1.19 -0.51 4.15 1.08 -1.96 -0.53 117.51 121.29 3kqk h ILE 615 Ca 0.58 -0.78 -0.12 0.00 -0.39 0.00 0.00 64.86 64.15 3kqk h ILE 615 Cb 1.13 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 3kqk h ILE 615 CO -0.55 0.26 -0.15 0.74 -0.69 0.00 0.00 178.15 177.75 3kqk h THR 616 N 0.43 1.27 -0.29 -0.27 2.02 -1.43 -1.75 112.91 112.88 3kqk h THR 616 Ca 0.09 -1.31 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 3kqk h THR 616 Cb 0.34 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3kqk h THR 616 CO 0.01 0.46 -0.19 0.11 0.37 0.00 0.00 175.52 176.28 3kqk h LYS 617 N 0.87 0.53 -0.02 6.66 1.57 -0.87 0.38 116.57 125.71 3kqk h LYS 617 Ca 0.13 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kqk h LYS 617 Cb 0.72 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kqk h LYS 617 CO 0.05 0.70 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.71 3kqk h TYR 618 N 0.48 0.03 -0.48 -1.35 3.20 -0.91 -0.94 116.97 117.00 3kqk h TYR 618 Ca 0.08 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3kqk h TYR 618 Cb 0.60 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3kqk h TYR 618 CO 0.02 0.33 -0.05 0.82 -1.64 0.00 0.00 178.16 177.64 3kqk h ILE 619 N -0.27 1.25 -0.86 1.81 2.04 -1.02 -0.97 117.51 119.49 3kqk h ILE 619 Ca 0.01 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.82 3kqk h ILE 619 Cb 0.32 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3kqk h ILE 619 CO 0.00 0.39 0.53 0.24 0.00 0.00 0.00 178.15 179.31 3kqk h MET 620 N 0.77 0.92 -0.58 2.37 2.86 -0.11 -1.29 114.93 119.86 3kqk h MET 620 Ca 0.14 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3kqk h MET 620 Cb 0.54 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3kqk h MET 620 CO 0.03 0.61 0.21 0.00 1.06 0.00 0.00 176.91 178.82 3kqk h ALA 621 N 1.41 1.27 0.00 6.32 0.00 0.09 -2.53 119.26 125.82 3kqk h ALA 621 Ca 0.38 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3kqk h ALA 621 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kqk h ALA 621 CO -0.18 0.53 -0.23 0.00 0.00 0.00 0.00 179.25 179.37 3kqk n MET 623 N -4.06 0.05 0.00 0.00 2.81 -0.95 -4.99 117.12 109.98 3kqk n MET 623 Ca -0.02 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3kqk n MET 623 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3kqk n MET 623 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91