#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfx s PHE 217 N 0.27 3.13 0.01 0.00 0.08 0.18 -4.58 117.98 117.06 2wfx s PHE 217 Ca -0.13 0.47 0.04 0.00 0.12 0.00 0.00 56.93 57.42 2wfx s PHE 217 Cb -0.16 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 2wfx s PHE 217 CO 0.06 -0.90 -0.11 0.00 -0.10 0.00 0.00 175.22 174.17 2wfx s ILE 219 N -0.58 2.78 -0.01 0.00 -0.00 -1.26 -0.67 121.20 121.48 2wfx s ILE 219 Ca 0.01 -0.86 0.07 0.00 -0.00 0.00 0.00 60.65 59.88 2wfx s ILE 219 Cb -0.06 -2.07 -0.02 0.00 -0.00 0.00 0.00 42.46 40.31 2wfx s ILE 219 CO 0.00 0.57 -0.23 0.00 -0.00 0.00 0.00 174.94 175.27 2wfx s GLN 220 N -0.76 1.84 0.22 0.37 -2.07 -0.14 -4.90 119.66 114.21 2wfx s GLN 220 Ca 0.11 -0.88 -0.30 0.00 -1.82 0.00 0.00 55.36 52.48 2wfx s GLN 220 Cb -0.10 -1.82 -0.09 0.00 -1.09 0.00 0.00 33.01 29.91 2wfx s GLN 220 CO 0.01 0.49 1.26 -2.00 -1.32 0.00 0.00 175.29 173.73 2wfx s GLU 221 N -0.68 4.43 -0.20 9.60 2.12 -1.26 -0.20 118.70 132.51 2wfx s GLU 221 Ca 0.09 2.01 0.03 0.00 0.36 0.00 0.00 54.97 57.47 2wfx s GLU 221 Cb -0.09 -3.19 -0.14 0.00 0.26 0.00 0.00 34.13 30.97 2wfx s GLU 221 CO -0.00 -0.16 -0.15 0.28 -0.54 0.00 0.00 175.26 174.68 2wfx n VAL 222 N 2.20 1.16 -3.64 3.70 0.31 0.77 -4.89 118.33 117.94 2wfx n VAL 222 Ca 0.04 -0.47 -0.05 0.00 -0.01 0.00 0.00 64.34 63.84 2wfx n VAL 222 Cb 0.43 -1.15 -0.07 0.00 -0.91 0.00 0.00 33.84 32.14 2wfx n VAL 222 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wfx s VAL 223 N -2.41 0.00 0.49 2.52 0.11 -1.23 -4.99 120.40 114.89 2wfx s VAL 223 Ca -0.25 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.87 2wfx s VAL 223 Cb 0.07 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2wfx s VAL 223 CO 0.49 0.00 0.47 -0.55 -3.33 0.00 0.00 175.10 172.19 2wfx s SER 224 N 1.03 4.95 0.00 3.54 0.15 -1.26 -1.67 113.70 120.44 2wfx s SER 224 Ca -0.05 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2wfx s SER 224 Cb -0.04 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2wfx s SER 224 CO -0.13 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2wfx n GLY 225 N -1.77 0.67 3.50 9.45 0.00 -1.01 -4.98 105.19 111.06 2wfx n GLY 225 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2wfx n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wfx s LEU 226 N 0.00 0.79 -0.43 0.99 1.43 0.57 -4.49 118.68 117.54 2wfx s LEU 226 Ca 0.00 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 2wfx s LEU 226 Cb 0.00 -3.35 0.13 0.00 0.03 0.00 0.00 46.19 43.00 2wfx s LEU 226 CO 0.00 -4.17 0.21 -0.60 0.23 0.00 0.00 176.35 172.02 2wfx s ARG 227 N -4.51 1.42 -0.90 1.70 3.52 -1.26 -0.54 118.95 118.38 2wfx s ARG 227 Ca 0.68 -2.04 -0.07 0.00 -0.13 0.00 0.00 55.73 54.17 2wfx s ARG 227 Cb -0.24 -2.64 -0.00 0.00 -1.56 0.00 0.00 34.95 30.51 2wfx s ARG 227 CO 0.64 -1.11 0.69 1.04 -0.81 0.00 0.00 175.30 175.76 2wfx n GLN 228 N 3.66 -1.35 -2.33 5.12 6.02 -1.26 -4.20 117.38 123.04 2wfx n GLN 228 Ca 0.06 0.90 -0.36 0.00 -0.01 0.00 0.00 57.00 57.59 2wfx n GLN 228 Cb 0.35 -3.95 -0.01 0.00 1.02 0.00 0.00 30.24 27.65 2wfx n GLN 228 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2wfx s PRO 229 N -4.66 3.68 0.00 -1.09 0.02 -1.26 -0.03 135.00 131.66 2wfx s PRO 229 Ca 0.15 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.81 2wfx s PRO 229 Cb -0.05 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.21 2wfx s PRO 229 CO 0.84 -0.58 0.00 1.33 -0.33 0.00 0.00 177.00 178.26 2wfx n VAL 230 N -0.75 0.00 0.00 3.83 0.24 -0.45 -4.73 118.33 116.47 2wfx n VAL 230 Ca 0.09 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2wfx n VAL 230 Cb 0.50 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2wfx n VAL 230 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wfx n GLY 231 N 1.16 1.56 3.07 7.63 0.00 -1.25 -4.47 105.19 112.89 2wfx n GLY 231 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 2wfx n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfx s ALA 232 N -2.00 1.00 0.30 4.61 0.00 -1.09 -1.31 121.76 123.27 2wfx s ALA 232 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2wfx s ALA 232 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2wfx s ALA 232 CO 0.00 0.24 0.45 -0.48 0.00 0.00 0.00 175.76 175.96 2wfx s LEU 233 N -0.23 0.81 0.36 0.00 2.34 -0.75 -1.83 118.68 119.37 2wfx s LEU 233 Ca 0.04 -1.31 0.07 0.00 0.06 0.00 0.00 54.13 52.99 2wfx s LEU 233 Cb -0.05 1.47 -0.07 0.00 -0.56 0.00 0.00 46.19 46.98 2wfx s LEU 233 CO -0.00 -1.21 -0.03 -1.38 -1.06 0.00 0.00 176.35 172.67 2wfx s HIS 234 N -3.43 2.34 -0.16 3.48 -3.43 -1.21 -0.96 115.29 111.92 2wfx s HIS 234 Ca 0.29 -0.65 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 2wfx s HIS 234 Cb 0.00 -1.51 -0.24 0.00 -1.43 0.00 0.00 32.58 29.41 2wfx s HIS 234 CO 0.16 0.42 0.21 -1.13 -2.00 0.00 0.00 174.74 172.40 2wfx n SER 235 N -0.83 2.09 -1.17 7.38 3.41 -1.26 -4.70 113.62 118.54 2wfx n SER 235 Ca -0.05 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2wfx n SER 235 Cb 0.65 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2wfx n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wfx n GLY 236 N 2.05 0.78 0.21 5.00 0.00 -1.26 -4.80 105.19 107.17 2wfx n GLY 236 Ca -0.36 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2wfx n GLY 236 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wfx n ASP 237 N -1.17 0.29 0.00 1.61 5.68 -1.26 -4.60 116.55 117.10 2wfx n ASP 237 Ca 0.00 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 2wfx n ASP 237 Cb 0.43 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2wfx n ASP 237 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wfx n GLY 238 N -0.13 1.34 0.14 6.12 0.00 -1.26 -4.83 105.19 106.56 2wfx n GLY 238 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2wfx n GLY 238 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wfx h SER 239 N 0.00 0.00 -3.46 1.61 4.64 -1.71 0.40 113.55 115.02 2wfx h SER 239 Ca 0.00 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.08 2wfx h SER 239 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2wfx h SER 239 CO 0.00 0.02 -0.25 0.00 -0.87 0.00 0.00 176.83 175.72 2wfx n GLN 240 N -2.53 -2.10 -2.39 4.77 6.02 -1.26 -4.58 117.38 115.31 2wfx n GLN 240 Ca 0.04 0.53 -0.36 0.00 -0.01 0.00 0.00 57.00 57.20 2wfx n GLN 240 Cb 0.47 -5.03 -0.02 0.00 1.02 0.00 0.00 30.24 26.68 2wfx n GLN 240 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wfx s ARG 241 N -4.56 3.84 -0.35 -1.09 0.52 -1.26 -3.52 118.95 112.53 2wfx s ARG 241 Ca 0.00 1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 56.79 2wfx s ARG 241 Cb 0.00 -2.35 0.08 0.00 0.52 0.00 0.00 34.95 33.20 2wfx s ARG 241 CO 0.00 -0.44 0.10 -1.17 0.02 0.00 0.00 175.30 173.81 2wfx s LEU 242 N -3.07 4.56 -0.17 2.53 2.96 0.54 -4.47 118.68 121.57 2wfx s LEU 242 Ca 0.63 -1.61 -0.27 0.00 -0.22 0.00 0.00 54.13 52.66 2wfx s LEU 242 Cb -0.24 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 2wfx s LEU 242 CO 0.29 -0.40 0.91 -0.36 -1.32 0.00 0.00 176.35 175.47 2wfx s PHE 243 N 1.21 3.43 -0.30 5.38 0.40 -0.13 -2.08 117.98 125.88 2wfx s PHE 243 Ca 0.02 1.37 -0.07 0.00 -0.60 0.00 0.00 56.93 57.64 2wfx s PHE 243 Cb -0.21 -3.10 0.01 0.00 0.51 0.00 0.00 43.02 40.23 2wfx s PHE 243 CO -0.02 -0.28 0.09 0.42 0.70 0.00 0.00 175.22 176.12 2wfx s ILE 244 N 2.30 4.01 0.11 0.64 1.01 0.19 -1.82 121.20 127.63 2wfx s ILE 244 Ca 0.41 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 2wfx s ILE 244 Cb -0.17 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 2wfx s ILE 244 CO 0.13 0.08 1.00 -0.76 0.00 0.00 0.00 174.94 175.38 2wfx s LEU 245 N 1.51 4.48 -0.11 2.97 1.02 -0.43 -1.55 118.68 126.56 2wfx s LEU 245 Ca 0.03 1.84 0.03 0.00 0.02 0.00 0.00 54.13 56.04 2wfx s LEU 245 Cb -0.17 -3.59 -0.00 0.00 0.02 0.00 0.00 46.19 42.45 2wfx s LEU 245 CO 0.03 -0.13 -0.20 -1.61 0.02 0.00 0.00 176.35 174.45 2wfx s GLU 246 N 0.11 3.15 0.26 1.70 2.02 0.20 -1.34 118.70 124.80 2wfx s GLU 246 Ca 0.49 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.53 2wfx s GLU 246 Cb -0.24 -2.42 0.36 0.00 0.10 0.00 0.00 34.13 31.92 2wfx s GLU 246 CO 0.30 0.16 1.55 1.17 0.02 0.00 0.00 175.26 178.47 2wfx n LYS 247 N 3.59 -0.16 -0.19 1.61 3.00 0.96 -0.66 118.16 126.32 2wfx n LYS 247 Ca -0.19 1.54 0.20 0.00 -0.00 0.00 0.00 58.31 59.87 2wfx n LYS 247 Cb 0.53 -2.30 0.57 0.00 0.00 0.00 0.00 35.03 33.83 2wfx n LYS 247 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2wfx h GLU 248 N 0.00 0.28 0.00 1.64 5.08 -1.83 -0.03 114.58 119.72 2wfx h GLU 248 Ca 0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2wfx h GLU 248 Cb 0.66 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wfx h GLU 248 CO -1.01 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 177.60 2wfx n GLY 249 N -1.57 0.98 3.60 -3.84 0.00 0.16 -4.43 105.19 100.09 2wfx n GLY 249 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2wfx n GLY 249 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wfx s TYR 250 N -0.98 2.63 -0.27 1.61 2.02 -1.14 -1.93 117.35 119.28 2wfx s TYR 250 Ca 0.00 -0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2wfx s TYR 250 Cb 0.00 -1.20 0.09 0.00 -0.40 0.00 0.00 41.96 40.45 2wfx s TYR 250 CO 0.00 0.60 0.10 0.08 -1.57 0.00 0.00 175.55 174.76 2wfx s VAL 251 N -2.13 0.39 0.31 0.71 1.01 -0.70 -0.62 120.40 119.37 2wfx s VAL 251 Ca 0.29 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2wfx s VAL 251 Cb -0.07 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 2wfx s VAL 251 CO 0.18 -0.59 0.67 -0.54 0.00 0.00 0.00 175.10 174.81 2wfx s LYS 252 N 1.87 3.86 0.03 2.72 1.02 -0.59 0.13 119.74 128.78 2wfx s LYS 252 Ca 0.07 0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.52 2wfx s LYS 252 Cb -0.17 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2wfx s LYS 252 CO -0.26 0.17 0.05 0.42 -0.92 0.00 0.00 175.35 174.81 2wfx s ILE 253 N -2.02 4.44 -0.15 2.17 1.01 -1.26 -0.64 121.20 124.74 2wfx s ILE 253 Ca 0.50 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 2wfx s ILE 253 Cb -0.11 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.36 2wfx s ILE 253 CO 0.23 0.26 0.08 -0.22 0.00 0.00 0.00 174.94 175.28 2wfx s LEU 254 N -1.97 0.41 0.75 2.97 0.20 -0.88 -2.51 118.68 117.64 2wfx s LEU 254 Ca 0.24 -0.54 -0.14 0.00 0.69 0.00 0.00 54.13 54.38 2wfx s LEU 254 Cb -0.12 -0.27 0.05 0.00 -0.43 0.00 0.00 46.19 45.42 2wfx s LEU 254 CO 0.16 -0.33 1.20 0.42 -0.29 0.00 0.00 176.35 177.52 2wfx s THR 255 N 2.11 2.26 0.23 3.68 -4.23 0.16 -0.34 115.64 119.51 2wfx s THR 255 Ca 0.02 0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.58 2wfx s THR 255 Cb -0.16 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.23 2wfx s THR 255 CO -0.08 -0.07 1.69 1.55 -0.54 0.00 0.00 174.62 177.16 2wfx h PRO 256 N -0.46 0.22 0.00 3.99 0.13 -1.80 0.06 132.00 134.14 2wfx h PRO 256 Ca -0.47 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wfx h PRO 256 Cb 1.29 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wfx h PRO 256 CO 0.49 0.15 -0.02 0.93 -0.23 0.00 0.00 178.00 179.31 2wfx h GLU 257 N 0.23 0.00 0.00 0.86 5.08 -1.91 -3.45 114.58 115.38 2wfx h GLU 257 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2wfx h GLU 257 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2wfx h GLU 257 CO -0.48 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 177.96 2wfx n GLY 258 N -1.27 1.09 3.78 -3.84 0.00 0.01 -5.13 105.19 99.83 2wfx n GLY 258 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2wfx n GLY 258 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wfx s GLU 259 N 0.00 4.47 0.03 1.61 2.12 -1.25 -4.82 118.70 120.86 2wfx s GLU 259 Ca 0.00 1.36 0.03 0.00 0.36 0.00 0.00 54.97 56.72 2wfx s GLU 259 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2wfx s GLU 259 CO 0.00 0.17 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.35 2wfx s ILE 260 N -1.67 3.82 0.18 -3.70 2.07 -1.26 -0.67 121.20 119.98 2wfx s ILE 260 Ca 0.53 -0.82 -0.23 0.00 -1.41 0.00 0.00 60.65 58.71 2wfx s ILE 260 Cb -0.19 -2.72 -0.08 0.00 0.13 0.00 0.00 42.46 39.61 2wfx s ILE 260 CO 0.24 0.31 0.76 -0.36 -1.91 0.00 0.00 174.94 173.97 2wfx s PHE 261 N -1.10 3.83 0.35 3.50 0.08 -1.04 -4.97 117.98 118.62 2wfx s PHE 261 Ca 0.20 1.55 0.11 0.00 0.12 0.00 0.00 56.93 58.91 2wfx s PHE 261 Cb -0.11 -2.72 0.65 0.00 -0.57 0.00 0.00 43.02 40.27 2wfx s PHE 261 CO 0.11 0.46 1.79 0.87 -0.10 0.00 0.00 175.22 178.35 2wfx h LYS 262 N 4.06 0.05 -5.20 0.44 1.79 -1.99 -3.42 116.57 112.29 2wfx h LYS 262 Ca -0.47 -0.02 -0.65 0.00 -2.18 0.00 0.00 60.65 57.33 2wfx h LYS 262 Cb 1.20 -0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.61 2wfx h LYS 262 CO 0.66 0.43 -0.70 -1.21 -1.08 0.00 0.00 179.45 177.55 2wfx s GLU 263 N -4.15 3.54 0.56 3.15 0.41 -1.26 -5.10 118.70 115.84 2wfx s GLU 263 Ca -0.03 -0.58 -0.20 0.00 -0.41 0.00 0.00 54.97 53.75 2wfx s GLU 263 Cb 0.14 -2.91 -0.06 0.00 -1.78 0.00 0.00 34.13 29.52 2wfx s GLU 263 CO 0.74 0.09 1.10 -2.30 -0.49 0.00 0.00 175.26 174.40 2wfx n PRO 264 N 3.96 1.22 0.07 0.39 -0.02 -1.26 -4.78 135.00 134.58 2wfx n PRO 264 Ca -0.18 0.46 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 2wfx n PRO 264 Cb 0.52 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 2wfx n PRO 264 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2wfx h TYR 265 N 0.95 0.00 -2.53 6.00 5.03 -0.47 -3.44 116.97 122.50 2wfx h TYR 265 Ca -0.49 0.00 -0.27 0.00 2.58 0.00 0.00 58.73 60.55 2wfx h TYR 265 Cb 1.34 0.00 -0.34 0.00 1.55 0.00 0.00 36.73 39.28 2wfx h TYR 265 CO 0.41 0.85 -0.59 -1.17 -1.32 0.00 0.00 178.16 176.34 2wfx s LEU 266 N -6.55 -0.21 -0.34 2.82 2.96 -1.16 -1.22 118.68 114.97 2wfx s LEU 266 Ca 0.01 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2wfx s LEU 266 Cb 0.09 0.54 0.06 0.00 0.50 0.00 0.00 46.19 47.38 2wfx s LEU 266 CO 0.80 -0.30 0.08 -0.62 -1.32 0.00 0.00 176.35 174.99 2wfx s ASP 267 N 2.37 5.11 -0.01 3.68 3.68 -1.26 -1.71 116.67 128.52 2wfx s ASP 267 Ca 0.06 -1.43 0.24 0.00 2.13 0.00 0.00 52.55 53.55 2wfx s ASP 267 Cb -0.15 -1.79 0.41 0.00 -1.45 0.00 0.00 42.92 39.94 2wfx s ASP 267 CO -0.12 -0.36 1.16 2.30 0.13 0.00 0.00 175.17 178.29 2wfx n ILE 268 N 4.67 0.06 0.21 4.11 -5.35 -0.81 -4.89 119.36 117.36 2wfx n ILE 268 Ca -0.10 -1.03 0.07 0.00 -0.27 0.00 0.00 62.75 61.42 2wfx n ILE 268 Cb 0.43 0.98 0.31 0.00 -1.74 0.00 0.00 39.64 39.63 2wfx n ILE 268 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wfx n HIS 269 N 0.41 0.35 0.07 4.28 1.44 -1.21 -0.96 115.22 119.59 2wfx n HIS 269 Ca 0.04 0.16 -0.18 0.00 -2.01 0.00 0.00 57.72 55.73 2wfx n HIS 269 Cb 1.10 -0.76 -0.14 0.00 0.12 0.00 0.00 29.99 30.31 2wfx n HIS 269 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 2wfx h LYS 270 N 0.00 0.29 0.00 -1.40 2.10 -1.90 -3.34 116.57 112.31 2wfx h LYS 270 Ca 0.00 -0.49 -0.06 0.00 -2.00 0.00 0.00 60.65 58.10 2wfx h LYS 270 Cb 0.11 0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2wfx h LYS 270 CO 0.00 1.16 -0.30 -0.07 -2.00 0.00 0.00 179.45 178.25 2wfx h LEU 271 N 0.08 0.00 -9.19 7.07 3.38 -1.44 -3.45 115.31 111.76 2wfx h LEU 271 Ca -0.25 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.06 2wfx h LEU 271 Cb 2.03 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.63 2wfx h LEU 271 CO 0.17 0.30 -0.61 0.54 0.09 0.00 0.00 178.44 178.94 2wfx s VAL 272 N -3.10 4.44 -0.46 1.22 0.11 -0.73 -4.49 120.40 117.39 2wfx s VAL 272 Ca 0.05 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.74 2wfx s VAL 272 Cb 0.07 -2.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.04 2wfx s VAL 272 CO 0.71 0.55 0.50 -1.10 -3.33 0.00 0.00 175.10 172.43 2wfx s GLN 273 N -0.38 3.09 0.00 1.54 -1.52 -0.60 -4.82 119.66 116.98 2wfx s GLN 273 Ca 0.08 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2wfx s GLN 273 Cb -0.12 -4.04 0.00 0.00 -0.22 0.00 0.00 33.01 28.63 2wfx s GLN 273 CO 0.02 -1.00 0.00 -1.13 -0.25 0.00 0.00 175.29 172.93 2wfx n SER 274 N 5.74 0.00 0.00 5.90 3.41 -1.26 -2.73 113.62 124.67 2wfx n SER 274 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2wfx n SER 274 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2wfx n SER 274 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wfx n GLY 275 N 3.64 2.15 3.65 5.00 0.00 -1.26 -4.40 105.19 113.97 2wfx n GLY 275 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2wfx n GLY 275 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wfx s ILE 276 N -0.57 3.89 0.00 -0.61 -5.25 -1.26 -4.81 121.20 112.59 2wfx s ILE 276 Ca 0.00 -0.89 0.00 0.00 -0.99 0.00 0.00 60.65 58.77 2wfx s ILE 276 Cb 0.00 -2.79 0.00 0.00 2.95 0.00 0.00 42.46 42.62 2wfx s ILE 276 CO 0.00 0.24 0.00 0.29 -1.79 0.00 0.00 174.94 173.68 2wfx n LYS 277 N 0.99 0.00 -0.25 0.37 4.76 -1.26 -5.13 118.16 117.64 2wfx n LYS 277 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 2wfx n LYS 277 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2wfx n LYS 277 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wfx n ASP 280 N 0.00 -0.37 -0.96 4.39 4.64 -1.26 -5.17 116.55 117.83 2wfx n ASP 280 Ca 0.00 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.52 2wfx n ASP 280 Cb 0.00 -0.18 0.27 0.00 -1.04 0.00 0.00 41.12 40.16 2wfx n ASP 280 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2wfx n GLU 281 N 1.33 2.24 -2.07 -0.67 1.02 -0.47 -4.95 120.64 117.07 2wfx n GLU 281 Ca 0.00 -1.88 -0.38 0.00 -0.02 0.00 0.00 57.16 54.88 2wfx n GLU 281 Cb 0.00 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 2wfx n GLU 281 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wfx s ARG 282 N -1.51 3.50 0.00 3.49 0.52 -1.26 -4.83 118.95 118.86 2wfx s ARG 282 Ca 0.37 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2wfx s ARG 282 Cb 0.20 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.34 2wfx s ARG 282 CO 0.28 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 175.20 2wfx n GLY 283 N 0.55 0.62 3.64 -3.53 0.00 -1.11 -4.54 105.19 100.83 2wfx n GLY 283 Ca 0.09 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2wfx n GLY 283 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wfx s LEU 284 N 0.00 4.01 -0.09 0.99 2.96 -0.03 -2.41 118.68 124.12 2wfx s LEU 284 Ca 0.00 1.42 -0.07 0.00 -0.22 0.00 0.00 54.13 55.26 2wfx s LEU 284 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2wfx s LEU 284 CO 0.00 -0.94 -0.13 0.18 -1.32 0.00 0.00 176.35 174.14 2wfx n LEU 285 N 7.17 1.06 -4.14 -0.68 4.77 -0.83 -4.65 117.00 119.71 2wfx n LEU 285 Ca 0.14 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 2wfx n LEU 285 Cb 0.46 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 2wfx n LEU 285 CO 0.60 -0.45 -0.11 -0.55 -1.33 0.00 0.00 177.39 175.54 2wfx s SER 286 N -4.88 0.08 -0.03 -1.43 0.15 -1.20 -4.72 113.70 101.67 2wfx s SER 286 Ca -0.11 -1.25 -0.19 0.00 0.70 0.00 0.00 55.95 55.10 2wfx s SER 286 Cb 0.01 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2wfx s SER 286 CO 0.16 -0.93 0.42 -0.22 1.20 0.00 0.00 173.24 173.86 2wfx s LEU 287 N -3.12 0.41 -0.23 3.45 0.20 -1.26 -1.61 118.68 116.53 2wfx s LEU 287 Ca 0.34 0.31 -0.04 0.00 0.69 0.00 0.00 54.13 55.43 2wfx s LEU 287 Cb 0.05 1.62 0.12 0.00 -0.43 0.00 0.00 46.19 47.55 2wfx s LEU 287 CO 0.11 -0.47 0.41 0.00 -0.29 0.00 0.00 176.35 176.11 2wfx s ALA 288 N -1.18 -1.21 0.19 5.97 0.00 0.54 -4.76 121.76 121.31 2wfx s ALA 288 Ca -0.12 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 2wfx s ALA 288 Cb -0.04 -1.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.43 2wfx s ALA 288 CO 0.06 -1.07 1.16 -0.06 0.00 0.00 0.00 175.76 175.85 2wfx s PHE 289 N 2.60 3.48 0.28 0.00 0.40 -1.26 -1.57 117.98 121.91 2wfx s PHE 289 Ca 0.08 1.49 -0.30 0.00 -0.60 0.00 0.00 56.93 57.60 2wfx s PHE 289 Cb -0.14 -3.38 -0.11 0.00 0.51 0.00 0.00 43.02 39.90 2wfx s PHE 289 CO -0.15 -1.00 1.51 -1.58 0.70 0.00 0.00 175.22 174.70 2wfx s HIS 290 N -0.21 2.86 0.30 0.36 5.65 -0.65 -4.89 115.29 118.72 2wfx s HIS 290 Ca 0.51 0.94 0.06 0.00 0.25 0.00 0.00 55.06 56.82 2wfx s HIS 290 Cb -0.32 -3.95 0.83 0.00 -1.18 0.00 0.00 32.58 27.96 2wfx s HIS 290 CO 0.37 -3.09 1.66 -1.35 -0.65 0.00 0.00 174.74 171.67 2wfx h PRO 291 N 4.70 0.26 -0.96 2.88 0.11 -1.90 0.62 132.00 137.71 2wfx h PRO 291 Ca -0.47 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 2wfx h PRO 291 Cb 1.22 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 2wfx h PRO 291 CO 0.77 0.17 0.28 0.09 -0.21 0.00 0.00 178.00 179.10 2wfx n ASN 292 N -5.15 3.40 -0.11 -2.05 4.13 -1.26 -4.47 115.26 109.74 2wfx n ASN 292 Ca 0.25 -2.76 0.21 0.00 1.68 0.00 0.00 54.58 53.96 2wfx n ASN 292 Cb 0.77 -0.66 0.64 0.00 -1.54 0.00 0.00 39.78 38.99 2wfx n ASN 292 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2wfx h TYR 293 N 0.80 0.17 0.00 3.10 5.03 -0.01 0.38 116.97 126.44 2wfx h TYR 293 Ca 0.27 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 2wfx h TYR 293 Cb 1.84 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 40.06 2wfx h TYR 293 CO 0.77 0.06 -0.05 -0.22 -1.32 0.00 0.00 178.16 177.41 2wfx h LYS 294 N 0.14 0.00 0.00 1.82 3.64 -1.81 0.40 116.57 120.76 2wfx h LYS 294 Ca 0.35 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2wfx h LYS 294 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2wfx h LYS 294 CO -0.05 0.05 -1.00 1.17 -2.27 0.00 0.00 179.45 177.34 2wfx n LYS 295 N -3.69 0.41 0.15 1.90 4.81 0.11 -4.74 118.16 117.13 2wfx n LYS 295 Ca -0.02 0.17 0.12 0.00 -0.87 0.00 0.00 58.31 57.70 2wfx n LYS 295 Cb 0.14 -1.22 0.08 0.00 0.02 0.00 0.00 35.03 34.06 2wfx n LYS 295 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2wfx h ASN 296 N -0.76 0.00 -4.88 3.14 7.08 -1.10 -3.40 115.58 115.66 2wfx h ASN 296 Ca -0.09 -0.00 -0.37 0.00 -3.08 0.00 0.00 56.30 52.76 2wfx h ASN 296 Cb 0.88 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 37.22 2wfx h ASN 296 CO -0.06 0.00 -0.59 0.61 -2.08 0.00 0.00 177.43 175.32 2wfx n GLY 297 N 1.15 -0.41 3.86 9.14 0.00 0.13 -4.87 105.19 114.19 2wfx n GLY 297 Ca 0.02 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2wfx n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfx s LYS 298 N -5.96 3.78 0.06 1.61 -0.14 -1.26 -2.26 119.74 115.57 2wfx s LYS 298 Ca 0.43 0.21 -0.07 0.00 -1.36 0.00 0.00 55.97 55.19 2wfx s LYS 298 Cb -0.19 -3.04 -0.01 0.00 -1.68 0.00 0.00 37.83 32.91 2wfx s LYS 298 CO 0.53 0.58 0.12 -0.48 -0.76 0.00 0.00 175.35 175.35 2wfx s LEU 299 N -1.76 1.71 -0.06 3.17 2.34 -0.89 -1.63 118.68 121.55 2wfx s LEU 299 Ca 0.31 -0.62 -0.00 0.00 0.06 0.00 0.00 54.13 53.88 2wfx s LEU 299 Cb -0.14 0.75 0.03 0.00 -0.56 0.00 0.00 46.19 46.26 2wfx s LEU 299 CO 0.17 -0.61 -0.02 -0.31 -1.06 0.00 0.00 176.35 174.52 2wfx s TYR 300 N -3.26 0.77 0.12 3.48 1.51 -0.61 -0.75 117.35 118.61 2wfx s TYR 300 Ca 0.00 -0.23 0.09 0.00 -1.01 0.00 0.00 57.07 55.92 2wfx s TYR 300 Cb 0.02 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 2wfx s TYR 300 CO -0.08 -0.29 -0.21 0.54 -1.11 0.00 0.00 175.55 174.40 2wfx s VAL 301 N 1.52 1.80 0.07 0.71 0.11 -0.39 -0.34 120.40 123.87 2wfx s VAL 301 Ca -0.02 -1.64 0.08 0.00 -2.93 0.00 0.00 61.98 57.48 2wfx s VAL 301 Cb -0.13 -1.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.03 2wfx s VAL 301 CO -0.03 -0.09 -0.21 -0.94 -3.33 0.00 0.00 175.10 170.50 2wfx s SER 302 N -2.06 2.50 0.03 3.54 1.04 -0.63 -0.93 113.70 117.18 2wfx s SER 302 Ca 0.09 -0.59 -0.28 0.00 0.48 0.00 0.00 55.95 55.64 2wfx s SER 302 Cb -0.09 -0.18 0.10 0.00 0.10 0.00 0.00 66.02 65.95 2wfx s SER 302 CO 0.05 0.12 1.01 -0.72 0.98 0.00 0.00 173.24 174.68 2wfx s TYR 303 N -0.95 -0.20 -0.03 5.02 1.13 -0.47 -1.96 117.35 119.89 2wfx s TYR 303 Ca 0.07 0.02 -0.10 0.00 -1.41 0.00 0.00 57.07 55.65 2wfx s TYR 303 Cb -0.09 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 2wfx s TYR 303 CO 0.03 -0.56 0.28 0.95 -2.51 0.00 0.00 175.55 173.74 2wfx s THR 304 N -2.99 5.26 0.15 -3.49 -4.23 -1.01 -0.23 115.64 109.09 2wfx s THR 304 Ca 0.09 0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 2wfx s THR 304 Cb -0.00 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.31 2wfx s THR 304 CO -0.04 0.51 0.49 0.28 -0.54 0.00 0.00 174.62 175.32 2wfx s THR 305 N -1.15 0.04 0.11 3.99 -1.32 0.69 -1.55 115.64 116.45 2wfx s THR 305 Ca 0.23 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.26 2wfx s THR 305 Cb -0.14 -1.22 -0.01 0.00 -1.51 0.00 0.00 72.50 69.63 2wfx s THR 305 CO 0.11 -0.18 0.11 -0.46 -2.21 0.00 0.00 174.62 171.99 2wfx n ASN 306 N -0.30 -0.29 0.00 8.08 0.23 -1.26 0.11 115.26 121.84 2wfx n ASN 306 Ca -0.15 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 2wfx n ASN 306 Cb 0.64 0.61 0.00 0.00 -2.08 0.00 0.00 39.78 38.95 2wfx n ASN 306 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2wfx n ASP 316 N -2.39 0.00 -0.90 0.53 4.64 -1.20 -5.04 116.55 112.18 2wfx n ASP 316 Ca 0.02 0.04 0.00 0.00 -1.38 0.00 0.00 54.79 53.47 2wfx n ASP 316 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.27 2wfx n ASP 316 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wfx n HIS 317 N -0.33 0.00 -3.86 -0.67 1.44 -1.14 -5.04 115.22 105.60 2wfx n HIS 317 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 2wfx n HIS 317 Cb 0.00 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 2wfx n HIS 317 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2wfx s ILE 318 N -1.65 0.07 -0.47 0.61 1.01 0.12 -2.18 121.20 118.70 2wfx s ILE 318 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 2wfx s ILE 318 Cb 0.00 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.32 2wfx s ILE 318 CO 0.00 0.12 0.82 -0.22 0.00 0.00 0.00 174.94 175.66 2wfx s LEU 319 N 1.00 4.23 0.01 2.97 0.20 0.13 -0.22 118.68 126.99 2wfx s LEU 319 Ca -0.09 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.58 2wfx s LEU 319 Cb -0.13 -2.94 -0.04 0.00 -0.43 0.00 0.00 46.19 42.65 2wfx s LEU 319 CO -0.02 -0.99 -0.00 -0.60 -0.29 0.00 0.00 176.35 174.45 2wfx s ARG 320 N 3.43 2.75 -0.29 1.98 3.52 0.68 -0.04 118.95 130.97 2wfx s ARG 320 Ca 0.30 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 2wfx s ARG 320 Cb -0.12 -2.65 0.09 0.00 -1.56 0.00 0.00 34.95 30.71 2wfx s ARG 320 CO 0.22 0.62 0.04 0.08 -0.81 0.00 0.00 175.30 175.44 2wfx s VAL 321 N -1.10 1.46 0.25 7.11 1.01 0.20 -1.36 120.40 127.96 2wfx s VAL 321 Ca 0.20 -1.59 0.09 0.00 0.00 0.00 0.00 61.98 60.68 2wfx s VAL 321 Cb -0.11 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2wfx s VAL 321 CO 0.11 -0.47 0.03 0.68 0.00 0.00 0.00 175.10 175.45 2wfx s VAL 322 N 1.36 3.67 -0.24 2.92 -7.23 -0.10 -0.62 120.40 120.15 2wfx s VAL 322 Ca 0.05 -1.74 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 2wfx s VAL 322 Cb -0.18 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 2wfx s VAL 322 CO -0.14 -0.33 0.04 -0.70 -0.31 0.00 0.00 175.10 173.66 2wfx s GLU 323 N -3.58 3.56 0.46 4.82 2.12 0.51 -1.27 118.70 125.33 2wfx s GLU 323 Ca 0.31 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 55.19 2wfx s GLU 323 Cb -0.07 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.10 2wfx s GLU 323 CO 0.21 -0.20 0.51 0.71 -0.54 0.00 0.00 175.26 175.95 2wfx s TYR 324 N 1.57 2.34 -0.12 5.30 2.02 0.07 -1.57 117.35 126.97 2wfx s TYR 324 Ca 0.06 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 2wfx s TYR 324 Cb -0.15 -2.20 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2wfx s TYR 324 CO 0.02 -0.45 0.17 0.99 -1.57 0.00 0.00 175.55 174.71 2wfx s THR 325 N -2.52 -0.27 0.51 -0.71 2.01 -1.26 -2.09 115.64 111.30 2wfx s THR 325 Ca 0.51 0.22 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 2wfx s THR 325 Cb -0.05 -0.40 -0.11 0.00 0.01 0.00 0.00 72.50 71.94 2wfx s THR 325 CO 0.30 0.04 0.38 0.55 -0.69 0.00 0.00 174.62 175.20 2wfx n VAL 326 N 5.32 1.57 -2.21 3.82 3.14 -0.96 -1.58 118.33 127.43 2wfx n VAL 326 Ca -0.05 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.45 2wfx n VAL 326 Cb 0.50 -0.47 -0.01 0.00 -1.06 0.00 0.00 33.84 32.80 2wfx n VAL 326 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2wfx s SER 327 N -1.06 6.24 -0.02 6.55 1.04 -0.53 -4.41 113.70 121.51 2wfx s SER 327 Ca 0.64 2.40 0.02 0.00 0.48 0.00 0.00 55.95 59.49 2wfx s SER 327 Cb -0.51 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.10 2wfx s SER 327 CO 0.58 -0.87 0.84 -2.11 0.98 0.00 0.00 173.24 172.66 2wfx n ARG 328 N -0.26 1.38 0.00 4.02 1.85 -1.26 -3.44 116.66 118.96 2wfx n ARG 328 Ca 0.06 -0.38 0.00 0.00 -1.00 0.00 0.00 57.85 56.53 2wfx n ARG 328 Cb 0.47 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 2wfx n ARG 328 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2wfx n LYS 329 N -0.05 2.10 -3.78 2.89 4.81 -1.26 -4.68 118.16 118.19 2wfx n LYS 329 Ca 0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.17 2wfx n LYS 329 Cb 0.25 -0.83 -0.15 0.00 0.02 0.00 0.00 35.03 34.32 2wfx n LYS 329 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2wfx s ASN 330 N -2.59 4.13 0.00 3.14 2.47 -1.22 -4.98 114.94 115.89 2wfx s ASN 330 Ca 0.00 -1.84 0.00 0.00 0.42 0.00 0.00 52.86 51.44 2wfx s ASN 330 Cb 0.00 -1.02 0.01 0.00 -1.45 0.00 0.00 41.25 38.79 2wfx s ASN 330 CO 0.00 -0.39 0.86 -2.65 -3.72 0.00 0.00 177.10 171.20 2wfx n PRO 331 N 4.60 0.00 -0.51 0.43 -0.02 -1.26 -1.62 135.00 136.62 2wfx n PRO 331 Ca 0.00 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 2wfx n PRO 331 Cb 0.41 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.67 2wfx n PRO 331 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wfx n HIS 332 N -1.35 1.11 -3.64 6.00 8.25 -1.26 -4.93 115.22 119.40 2wfx n HIS 332 Ca 0.00 -0.85 -0.05 0.00 -0.26 0.00 0.00 57.72 56.56 2wfx n HIS 332 Cb 0.00 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 30.71 2wfx n HIS 332 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wfx s GLN 333 N -2.78 0.65 0.22 -0.41 0.74 -0.64 -4.15 119.66 113.30 2wfx s GLN 333 Ca 0.44 1.24 -0.29 0.00 0.05 0.00 0.00 55.36 56.80 2wfx s GLN 333 Cb 0.35 0.33 -0.09 0.00 1.10 0.00 0.00 33.01 34.70 2wfx s GLN 333 CO 0.10 -0.16 0.91 0.54 -0.55 0.00 0.00 175.29 176.14 2wfx s VAL 334 N 1.96 4.14 -0.20 1.34 0.11 -0.36 -1.46 120.40 125.93 2wfx s VAL 334 Ca -0.09 2.03 -0.29 0.00 -2.93 0.00 0.00 61.98 60.70 2wfx s VAL 334 Cb -0.07 -4.30 -0.02 0.00 -1.53 0.00 0.00 36.38 30.47 2wfx s VAL 334 CO -0.19 0.50 1.38 -0.62 -3.33 0.00 0.00 175.10 172.83 2wfx s ASP 335 N -1.13 6.73 0.19 3.54 3.68 -0.61 -4.67 116.67 124.40 2wfx s ASP 335 Ca 0.40 1.59 0.24 0.00 2.13 0.00 0.00 52.55 56.91 2wfx s ASP 335 Cb -0.25 -2.54 0.91 0.00 -1.45 0.00 0.00 42.92 39.59 2wfx s ASP 335 CO 0.31 -0.96 1.73 0.18 0.13 0.00 0.00 175.17 176.55 2wfx n LEU 336 N 7.30 0.60 0.18 -1.34 4.77 -1.26 -2.64 117.00 124.61 2wfx n LEU 336 Ca 0.15 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.81 2wfx n LEU 336 Cb 0.45 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 41.27 2wfx n LEU 336 CO 0.60 -0.36 0.65 0.03 -1.33 0.00 0.00 177.39 176.98 2wfx h ARG 337 N 0.00 0.00 -0.27 3.23 3.08 -1.94 -3.20 114.38 115.28 2wfx h ARG 337 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wfx h ARG 337 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2wfx h ARG 337 CO 0.00 0.32 0.00 0.25 -1.07 0.00 0.00 179.97 179.47 2wfx n THR 338 N -3.26 0.30 -1.72 2.04 -2.24 -1.08 -4.91 114.28 103.42 2wfx n THR 338 Ca 0.02 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 2wfx n THR 338 Cb 0.59 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2wfx n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wfx n ALA 339 N 0.07 1.55 -3.34 6.98 0.00 -1.21 -4.43 120.51 120.12 2wfx n ALA 339 Ca 0.06 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 2wfx n ALA 339 Cb 0.20 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 2wfx n ALA 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wfx s ARG 340 N -2.09 0.37 0.11 0.00 3.52 -0.61 -4.97 118.95 115.29 2wfx s ARG 340 Ca 0.57 0.27 -0.31 0.00 -0.13 0.00 0.00 55.73 56.14 2wfx s ARG 340 Cb -0.52 -0.44 -0.07 0.00 -1.56 0.00 0.00 34.95 32.36 2wfx s ARG 340 CO 0.61 -0.86 1.24 0.08 -0.81 0.00 0.00 175.30 175.56 2wfx s VAL 341 N 2.52 3.71 -0.18 7.11 1.01 -1.26 -0.36 120.40 132.94 2wfx s VAL 341 Ca 0.11 1.29 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 2wfx s VAL 341 Cb -0.14 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 2wfx s VAL 341 CO -0.24 0.14 -0.33 0.49 0.00 0.00 0.00 175.10 175.15 2wfx n PHE 342 N 3.46 0.00 -5.05 5.22 0.99 0.21 -4.92 117.46 117.37 2wfx n PHE 342 Ca 0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.25 2wfx n PHE 342 Cb 0.45 -0.55 -0.16 0.00 -1.00 0.00 0.00 39.48 38.22 2wfx n PHE 342 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2wfx s LEU 343 N -7.79 2.03 -0.28 4.37 1.02 -0.94 -4.98 118.68 112.11 2wfx s LEU 343 Ca -0.29 -0.40 0.01 0.00 0.02 0.00 0.00 54.13 53.47 2wfx s LEU 343 Cb 0.05 -1.12 0.08 0.00 0.02 0.00 0.00 46.19 45.22 2wfx s LEU 343 CO 0.42 0.25 0.02 -1.61 0.02 0.00 0.00 176.35 175.44 2wfx s GLU 344 N -0.39 1.25 -0.20 1.70 2.02 -1.26 -0.63 118.70 121.19 2wfx s GLU 344 Ca 0.05 -1.15 -0.09 0.00 0.02 0.00 0.00 54.97 53.80 2wfx s GLU 344 Cb -0.09 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 2wfx s GLU 344 CO 0.00 -0.79 0.11 0.08 0.02 0.00 0.00 175.26 174.68 2wfx s VAL 345 N 1.39 5.17 0.23 2.63 1.01 0.95 -4.94 120.40 126.84 2wfx s VAL 345 Ca 0.03 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2wfx s VAL 345 Cb -0.18 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 2wfx s VAL 345 CO -0.12 0.43 1.05 0.00 0.00 0.00 0.00 175.10 176.46 2wfx s ALA 346 N 0.47 3.37 -0.00 5.51 0.00 -1.26 0.18 121.76 130.03 2wfx s ALA 346 Ca 0.06 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.83 2wfx s ALA 346 Cb -0.12 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2wfx s ALA 346 CO -0.00 -0.06 -0.08 -1.21 0.00 0.00 0.00 175.76 174.41 2wfx s GLU 347 N -1.01 0.64 -0.16 0.00 0.41 -0.93 -4.38 118.70 113.27 2wfx s GLU 347 Ca 0.45 -0.34 0.13 0.00 -0.41 0.00 0.00 54.97 54.80 2wfx s GLU 347 Cb -0.29 -0.61 -0.19 0.00 -1.78 0.00 0.00 34.13 31.26 2wfx s GLU 347 CO 0.36 0.16 0.03 1.28 -0.49 0.00 0.00 175.26 176.61 2wfx n LEU 348 N 2.74 0.32 -4.57 1.80 4.77 -1.26 -2.90 117.00 117.90 2wfx n LEU 348 Ca -0.14 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.57 2wfx n LEU 348 Cb 0.57 0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.82 2wfx n LEU 348 CO 0.25 0.44 -0.28 -1.00 -1.33 0.00 0.00 177.39 175.47 2wfx s HIS 349 N -2.38 2.26 -0.54 -1.77 3.76 -1.26 -4.67 115.29 110.68 2wfx s HIS 349 Ca -0.10 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.02 2wfx s HIS 349 Cb 0.05 -1.58 0.44 0.00 1.11 0.00 0.00 32.58 32.60 2wfx s HIS 349 CO 0.62 0.26 1.67 2.89 -0.85 0.00 0.00 174.74 179.33 2wfx n ARG 350 N -0.90 3.07 -3.96 1.40 0.00 -1.26 -4.95 116.66 110.06 2wfx n ARG 350 Ca -0.05 -3.72 -0.09 0.00 -0.00 0.00 0.00 57.85 53.99 2wfx n ARG 350 Cb 0.67 -2.28 -0.10 0.00 -0.00 0.00 0.00 32.46 30.75 2wfx n ARG 350 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wfx s LYS 351 N -3.76 0.51 -1.22 2.89 1.02 -1.26 -1.36 119.74 116.56 2wfx s LYS 351 Ca 0.57 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.79 2wfx s LYS 351 Cb 0.46 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.96 2wfx s LYS 351 CO -0.05 -0.11 0.39 0.72 -0.92 0.00 0.00 175.35 175.37 2wfx n HIS 352 N 0.97 -1.37 -0.03 3.18 8.25 -1.26 -3.72 115.22 121.24 2wfx n HIS 352 Ca -0.20 0.33 -0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2wfx n HIS 352 Cb 0.58 -3.61 -0.00 0.00 1.12 0.00 0.00 29.99 28.08 2wfx n HIS 352 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wfx h LEU 353 N -0.88 -0.00 0.00 2.41 3.38 -1.84 0.46 115.31 118.84 2wfx h LEU 353 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2wfx h LEU 353 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wfx h LEU 353 CO 0.44 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2wfx n GLY 354 N 1.87 0.36 2.43 0.83 0.00 -1.26 -0.33 105.19 109.08 2wfx n GLY 354 Ca -0.00 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 2wfx n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wfx n GLY 355 N 0.00 4.18 3.66 -0.02 0.00 -1.26 -4.95 105.19 106.80 2wfx n GLY 355 Ca 0.00 -2.11 -0.49 0.00 0.00 0.00 0.00 46.02 43.42 2wfx n GLY 355 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wfx n GLN 356 N 0.41 1.79 -4.30 1.61 7.27 -1.11 -4.33 117.38 118.72 2wfx n GLN 356 Ca 0.27 0.65 -0.31 0.00 0.07 0.00 0.00 57.00 57.68 2wfx n GLN 356 Cb 0.53 -2.39 -0.10 0.00 2.41 0.00 0.00 30.24 30.69 2wfx n GLN 356 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wfx s LEU 357 N 1.81 3.14 -0.19 1.69 1.43 -1.26 -1.07 118.68 124.23 2wfx s LEU 357 Ca 0.86 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.38 2wfx s LEU 357 Cb -0.80 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 43.68 2wfx s LEU 357 CO 0.46 0.21 1.12 -1.48 0.23 0.00 0.00 176.35 176.90 2wfx s LEU 358 N -1.95 -0.24 0.09 1.79 0.05 -0.90 -4.71 118.68 112.82 2wfx s LEU 358 Ca 0.21 0.20 -0.00 0.00 0.05 0.00 0.00 54.13 54.59 2wfx s LEU 358 Cb -0.11 1.58 -0.04 0.00 -2.05 0.00 0.00 46.19 45.57 2wfx s LEU 358 CO 0.12 -0.26 0.25 -0.36 -0.55 0.00 0.00 176.35 175.55 2wfx s PHE 359 N -1.47 3.51 0.48 3.48 0.08 -1.26 0.04 117.98 122.83 2wfx s PHE 359 Ca 0.04 0.27 0.08 0.00 0.12 0.00 0.00 56.93 57.43 2wfx s PHE 359 Cb -0.01 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 2wfx s PHE 359 CO -0.03 0.55 0.48 0.20 -0.10 0.00 0.00 175.22 176.32 2wfx s GLY 360 N -2.65 2.10 0.61 4.36 0.00 -0.51 -4.95 107.32 106.27 2wfx s GLY 360 Ca 0.36 -1.76 0.30 0.00 0.00 0.00 0.00 44.72 43.62 2wfx s GLY 360 CO 0.28 -1.74 2.02 -2.55 0.00 0.00 0.00 173.10 171.11 2wfx h PRO 361 N 0.76 0.00 -0.01 2.90 0.11 -1.90 0.36 132.00 134.23 2wfx h PRO 361 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wfx h PRO 361 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wfx h PRO 361 CO 0.53 0.00 -0.27 -0.25 -0.21 0.00 0.00 178.00 177.80 2wfx n ASP 362 N -3.58 0.90 0.00 -2.05 10.43 -1.26 -4.93 116.55 116.06 2wfx n ASP 362 Ca 0.03 -0.76 0.00 0.00 2.57 0.00 0.00 54.79 56.62 2wfx n ASP 362 Cb 0.42 0.13 0.00 0.00 1.84 0.00 0.00 41.12 43.51 2wfx n ASP 362 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wfx n GLY 363 N 1.36 0.89 3.77 0.44 0.00 0.13 -5.05 105.19 106.72 2wfx n GLY 363 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2wfx n GLY 363 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wfx s PHE 364 N -2.51 2.64 -0.19 1.61 2.99 -1.26 -4.65 117.98 116.62 2wfx s PHE 364 Ca 0.00 1.55 -0.14 0.00 0.00 0.00 0.00 56.93 58.34 2wfx s PHE 364 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 43.02 39.73 2wfx s PHE 364 CO 0.00 -1.64 0.31 -1.17 -0.00 0.00 0.00 175.22 172.72 2wfx s LEU 365 N -4.27 4.19 -0.10 -0.37 2.96 -0.20 -1.43 118.68 119.46 2wfx s LEU 365 Ca 0.70 0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2wfx s LEU 365 Cb -0.22 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 2wfx s LEU 365 CO 0.33 0.03 0.02 -0.31 -1.32 0.00 0.00 176.35 175.10 2wfx s TYR 366 N 0.88 3.21 -0.26 5.38 2.02 0.11 -1.52 117.35 127.15 2wfx s TYR 366 Ca 0.16 0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 57.04 2wfx s TYR 366 Cb -0.14 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.67 2wfx s TYR 366 CO 0.05 0.44 0.05 0.42 -1.57 0.00 0.00 175.55 174.95 2wfx s ILE 367 N -0.73 0.95 -0.45 2.71 1.01 -0.04 -2.11 121.20 122.54 2wfx s ILE 367 Ca 0.12 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.35 2wfx s ILE 367 Cb -0.12 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.83 2wfx s ILE 367 CO 0.02 -0.43 0.90 -0.63 0.00 0.00 0.00 174.94 174.80 2wfx s ILE 368 N 1.62 4.51 -0.11 2.92 1.09 -0.24 -1.07 121.20 129.93 2wfx s ILE 368 Ca 0.04 0.76 0.01 0.00 -1.10 0.00 0.00 60.65 60.36 2wfx s ILE 368 Cb -0.18 -4.41 -0.01 0.00 -1.06 0.00 0.00 42.46 36.80 2wfx s ILE 368 CO -0.16 -0.78 -0.15 -0.76 -0.10 0.00 0.00 174.94 172.99 2wfx s LEU 369 N 3.66 2.61 0.90 2.97 1.43 -0.86 -2.75 118.68 126.63 2wfx s LEU 369 Ca 0.36 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 2wfx s LEU 369 Cb -0.11 -1.56 0.14 0.00 0.03 0.00 0.00 46.19 44.69 2wfx s LEU 369 CO 0.25 0.20 1.22 -0.83 0.23 0.00 0.00 176.35 177.42 2wfx s GLY 370 N 0.12 1.66 0.16 -3.19 0.00 0.56 -1.10 107.32 105.52 2wfx s GLY 370 Ca -0.07 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.01 2wfx s GLY 370 CO 0.05 -0.23 1.64 2.09 0.00 0.00 0.00 173.10 176.66 2wfx n ASP 371 N -3.62 0.42 -2.89 1.64 5.68 -0.43 -0.36 116.55 116.99 2wfx n ASP 371 Ca 0.11 0.60 -0.21 0.00 -0.50 0.00 0.00 54.79 54.78 2wfx n ASP 371 Cb 0.60 -0.69 0.01 0.00 -1.14 0.00 0.00 41.12 39.91 2wfx n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wfx n GLY 372 N 0.17 -0.51 3.16 6.12 0.00 0.16 -1.73 105.19 112.55 2wfx n GLY 372 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wfx n GLY 372 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wfx n MET 373 N -3.62 -1.59 -2.71 1.61 2.81 -1.24 -4.27 117.12 108.10 2wfx n MET 373 Ca -0.13 0.40 -0.43 0.00 -1.81 0.00 0.00 57.70 55.73 2wfx n MET 373 Cb 0.62 -4.86 -0.03 0.00 -0.71 0.00 0.00 33.22 28.24 2wfx n MET 373 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2wfx s ILE 374 N -1.03 4.46 0.98 2.02 1.01 -0.71 -4.99 121.20 122.94 2wfx s ILE 374 Ca 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.79 2wfx s ILE 374 Cb 0.00 -4.43 0.19 0.00 0.01 0.00 0.00 42.46 38.23 2wfx s ILE 374 CO 0.00 -0.67 1.25 0.42 0.00 0.00 0.00 174.94 175.94 2wfx s THR 375 N 3.80 1.93 0.13 2.92 -4.23 -1.26 -4.92 115.64 114.00 2wfx s THR 375 Ca 0.42 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 2wfx s THR 375 Cb -0.11 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.77 2wfx s THR 375 CO 0.22 0.00 1.42 0.25 -0.54 0.00 0.00 174.62 175.97 2wfx h LEU 376 N -1.72 0.98 -0.77 4.79 5.85 -1.98 -2.84 115.31 119.62 2wfx h LEU 376 Ca -0.45 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 57.84 2wfx h LEU 376 Cb 1.27 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2wfx h LEU 376 CO 0.43 1.30 0.42 0.44 -0.34 0.00 0.00 178.44 180.70 2wfx h ASP 377 N 0.69 0.60 0.30 1.25 5.19 -1.98 -1.74 116.42 120.74 2wfx h ASP 377 Ca 0.03 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2wfx h ASP 377 Cb 1.09 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 2wfx h ASP 377 CO 0.11 0.36 -0.29 0.44 -3.12 0.00 0.00 179.24 176.74 2wfx h ASP 378 N 0.73 -0.78 0.22 6.45 3.32 -1.90 -1.27 116.42 123.19 2wfx h ASP 378 Ca 0.36 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2wfx h ASP 378 Cb 0.32 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2wfx h ASP 378 CO -0.24 -0.42 0.00 0.23 -1.72 0.00 0.00 179.24 177.09 2wfx n MET 379 N -5.41 0.14 -0.02 3.56 2.81 -0.98 -1.41 117.12 115.81 2wfx n MET 379 Ca -0.09 0.19 0.06 0.00 -1.81 0.00 0.00 57.70 56.05 2wfx n MET 379 Cb 0.32 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.20 2wfx n MET 379 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wfx n GLU 380 N -1.31 0.66 -0.08 0.03 2.13 -0.69 -4.55 120.64 116.83 2wfx n GLU 380 Ca 0.05 -0.13 0.03 0.00 0.66 0.00 0.00 57.16 57.77 2wfx n GLU 380 Cb 0.09 -1.39 0.04 0.00 0.27 0.00 0.00 31.44 30.44 2wfx n GLU 380 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2wfx n GLU 381 N -2.16 1.61 -4.52 5.31 0.28 -0.56 -5.01 120.64 115.58 2wfx n GLU 381 Ca -0.07 -1.53 -0.23 0.00 -0.16 0.00 0.00 57.16 55.18 2wfx n GLU 381 Cb 0.52 -0.98 -0.16 0.00 1.43 0.00 0.00 31.44 32.26 2wfx n GLU 381 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2wfx s MET 382 N -1.18 1.32 0.25 3.44 -1.94 -0.50 -5.04 119.30 115.65 2wfx s MET 382 Ca 0.08 -0.38 -0.12 0.00 -1.71 0.00 0.00 55.69 53.56 2wfx s MET 382 Cb 0.07 -1.17 -0.08 0.00 2.01 0.00 0.00 34.83 35.67 2wfx s MET 382 CO 0.01 0.11 0.62 -0.51 -0.01 0.00 0.00 175.02 175.23 2wfx s ASP 383 N 0.33 6.71 -0.18 3.03 1.11 -1.26 -4.47 116.67 121.94 2wfx s ASP 383 Ca -0.07 1.08 -0.01 0.00 0.18 0.00 0.00 52.55 53.73 2wfx s ASP 383 Cb -0.11 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2wfx s ASP 383 CO 0.02 -0.10 0.08 0.61 1.18 0.00 0.00 175.17 176.97 2wfx n GLY 384 N -0.08 0.57 3.92 0.21 0.00 -1.26 -5.06 105.19 103.49 2wfx n GLY 384 Ca 0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2wfx n GLY 384 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wfx s LEU 385 N -1.34 4.34 0.12 0.99 1.43 -1.26 -4.77 118.68 118.18 2wfx s LEU 385 Ca 0.04 0.31 -0.33 0.00 -1.03 0.00 0.00 54.13 53.12 2wfx s LEU 385 Cb -0.02 -3.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.08 2wfx s LEU 385 CO 0.05 0.13 1.56 -1.28 0.23 0.00 0.00 176.35 177.04 2wfx h SER 386 N 2.89 -1.59 0.00 2.29 0.87 -1.93 -3.46 113.55 112.61 2wfx h SER 386 Ca -0.46 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2wfx h SER 386 Cb 1.17 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2wfx h SER 386 CO 0.74 -0.49 0.00 -0.67 -0.53 0.00 0.00 176.83 175.89 2wfx n ASP 387 N -5.45 -1.13 -0.00 6.23 -0.08 -1.26 -4.80 116.55 110.05 2wfx n ASP 387 Ca -0.06 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.27 2wfx n ASP 387 Cb 0.38 -0.48 -0.06 0.00 2.34 0.00 0.00 41.12 43.30 2wfx n ASP 387 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2wfx n PHE 388 N -2.30 0.00 -2.02 -0.67 3.72 -1.26 -5.02 117.46 109.91 2wfx n PHE 388 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2wfx n PHE 388 Cb 0.02 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2wfx n PHE 388 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wfx s THR 389 N -2.01 2.52 -0.09 4.37 -4.23 -1.26 -2.63 115.64 112.30 2wfx s THR 389 Ca 0.04 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2wfx s THR 389 Cb 0.08 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2wfx s THR 389 CO 0.44 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2wfx n GLY 390 N 0.86 0.49 3.34 3.99 0.00 0.52 -4.66 105.19 109.72 2wfx n GLY 390 Ca 0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 2wfx n GLY 390 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wfx s SER 391 N -2.49 2.12 -0.32 1.61 1.04 -0.76 -0.73 113.70 114.17 2wfx s SER 391 Ca 0.00 -1.15 -0.12 0.00 0.48 0.00 0.00 55.95 55.17 2wfx s SER 391 Cb 0.00 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 2wfx s SER 391 CO 0.00 -0.40 0.21 -0.69 0.98 0.00 0.00 173.24 173.34 2wfx s VAL 392 N -3.25 5.13 0.26 5.02 1.01 0.18 -2.03 120.40 126.71 2wfx s VAL 392 Ca 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2wfx s VAL 392 Cb 0.04 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2wfx s VAL 392 CO 0.07 0.06 0.53 -0.76 0.00 0.00 0.00 175.10 175.01 2wfx s LEU 393 N 1.70 4.10 -0.24 3.92 1.43 -0.23 -1.58 118.68 127.78 2wfx s LEU 393 Ca 0.06 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2wfx s LEU 393 Cb -0.17 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.65 2wfx s LEU 393 CO 0.10 -0.15 0.37 -0.60 0.23 0.00 0.00 176.35 176.29 2wfx s ARG 394 N -3.35 0.34 0.07 1.70 3.52 -0.46 -0.86 118.95 119.90 2wfx s ARG 394 Ca 0.44 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2wfx s ARG 394 Cb -0.11 -0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 32.75 2wfx s ARG 394 CO 0.28 -0.63 -0.12 -0.48 -0.81 0.00 0.00 175.30 173.54 2wfx s LEU 395 N 2.53 2.31 -0.45 -0.88 2.34 -0.58 -4.61 118.68 119.34 2wfx s LEU 395 Ca 0.12 -0.65 -0.18 0.00 0.06 0.00 0.00 54.13 53.48 2wfx s LEU 395 Cb -0.15 -0.39 0.04 0.00 -0.56 0.00 0.00 46.19 45.13 2wfx s LEU 395 CO -0.15 -0.15 0.50 -0.62 -1.06 0.00 0.00 176.35 174.86 2wfx s ASP 396 N -1.90 6.21 0.37 1.48 2.15 0.65 -1.04 116.67 124.60 2wfx s ASP 396 Ca -0.02 -0.77 0.20 0.00 0.43 0.00 0.00 52.55 52.39 2wfx s ASP 396 Cb -0.08 -2.25 0.26 0.00 -0.30 0.00 0.00 42.92 40.55 2wfx s ASP 396 CO 0.01 -0.69 1.55 -0.37 -0.17 0.00 0.00 175.17 175.51 2wfx h VAL 397 N 5.78 0.40 -1.24 1.11 -1.51 -1.86 -1.09 116.25 117.83 2wfx h VAL 397 Ca -0.27 -1.53 -0.61 0.00 -1.23 0.00 0.00 66.70 63.06 2wfx h VAL 397 Cb 1.10 2.17 -0.11 0.00 -2.13 0.00 0.00 31.29 32.33 2wfx h VAL 397 CO 0.86 0.22 1.44 -1.81 -1.23 0.00 0.00 177.57 177.05 2wfx s ASP 398 N -6.31 6.52 0.03 4.19 1.01 -1.26 -4.54 116.67 116.31 2wfx s ASP 398 Ca 0.05 -1.53 0.03 0.00 0.71 0.00 0.00 52.55 51.82 2wfx s ASP 398 Cb 0.06 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 2wfx s ASP 398 CO 0.70 -1.46 -0.09 0.42 0.21 0.00 0.00 175.17 174.95 2wfx s THR 399 N 4.73 0.71 -0.44 -1.27 -4.23 -1.26 -4.98 115.64 108.89 2wfx s THR 399 Ca 0.45 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 2wfx s THR 399 Cb -0.00 -0.69 0.35 0.00 1.34 0.00 0.00 72.50 73.50 2wfx s THR 399 CO -0.10 -0.14 1.95 0.47 -0.54 0.00 0.00 174.62 176.27 2wfx n ASP 400 N 1.95 6.34 -4.37 3.99 8.00 -1.26 -4.67 116.55 126.52 2wfx n ASP 400 Ca -0.19 -3.34 -0.30 0.00 0.71 0.00 0.00 54.79 51.68 2wfx n ASP 400 Cb 0.55 -0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 2wfx n ASP 400 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wfx s MET 401 N -2.63 1.59 -0.00 -1.24 -1.94 -1.26 -5.05 119.30 108.77 2wfx s MET 401 Ca 0.45 -1.24 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2wfx s MET 401 Cb 0.36 -1.94 -0.01 0.00 2.01 0.00 0.00 34.83 35.24 2wfx s MET 401 CO 0.01 0.48 0.02 0.00 -0.01 0.00 0.00 175.02 175.51 2wfx n ASN 403 N -1.63 0.00 -3.97 0.00 6.94 -1.26 -4.80 115.26 110.55 2wfx n ASN 403 Ca -0.00 -0.01 -0.09 0.00 -0.02 0.00 0.00 54.58 54.46 2wfx n ASN 403 Cb 0.12 -0.31 -0.11 0.00 -2.36 0.00 0.00 39.78 37.12 2wfx n ASN 403 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2wfx s VAL 404 N -2.63 0.11 0.07 3.53 -7.23 -1.26 -5.05 120.40 107.95 2wfx s VAL 404 Ca 0.23 -0.95 0.14 0.00 -1.81 0.00 0.00 61.98 59.59 2wfx s VAL 404 Cb 0.17 -0.41 0.02 0.00 0.56 0.00 0.00 36.38 36.73 2wfx s VAL 404 CO 0.40 -0.52 1.54 -0.65 -0.31 0.00 0.00 175.10 175.55 2wfx h PRO 405 N 4.43 0.00 -3.06 4.82 0.11 -1.91 -3.47 132.00 132.93 2wfx h PRO 405 Ca -0.32 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 2wfx h PRO 405 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 2wfx h PRO 405 CO 0.43 0.57 -0.02 1.52 -0.21 0.00 0.00 178.00 180.30 2wfx s TYR 406 N -3.23 -0.32 0.24 0.65 -0.85 -1.26 -4.84 117.35 107.73 2wfx s TYR 406 Ca 0.01 0.21 0.10 0.00 -0.52 0.00 0.00 57.07 56.86 2wfx s TYR 406 Cb 0.10 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2wfx s TYR 406 CO 0.74 -0.66 -0.05 -1.54 -1.52 0.00 0.00 175.55 172.51 2wfx s SER 407 N -2.33 4.36 -0.11 -0.18 1.04 -0.41 -4.95 113.70 111.11 2wfx s SER 407 Ca -0.02 -0.66 -0.20 0.00 0.48 0.00 0.00 55.95 55.55 2wfx s SER 407 Cb 0.00 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 2wfx s SER 407 CO -0.06 0.04 0.56 -0.63 0.98 0.00 0.00 173.24 174.13 2wfx s ILE 408 N -2.13 5.13 0.30 -1.02 -1.09 -1.26 -0.25 121.20 120.87 2wfx s ILE 408 Ca 0.29 1.13 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 2wfx s ILE 408 Cb -0.07 -3.90 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 2wfx s ILE 408 CO 0.18 0.28 1.42 -2.84 -1.23 0.00 0.00 174.94 172.74 2wfx s PRO 409 N 0.84 4.26 0.47 2.79 0.02 -1.26 -4.89 135.00 137.23 2wfx s PRO 409 Ca 0.30 2.35 0.16 0.00 0.02 0.00 0.00 61.00 63.82 2wfx s PRO 409 Cb -0.16 -3.06 1.14 0.00 0.02 0.00 0.00 34.50 32.44 2wfx s PRO 409 CO 0.13 -0.38 2.03 0.00 -0.33 0.00 0.00 177.00 178.44 2wfx h ARG 410 N 4.13 0.24 0.00 5.54 -0.00 -1.98 -0.10 114.38 122.20 2wfx h ARG 410 Ca -0.48 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 58.97 2wfx h ARG 410 Cb 1.22 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 31.14 2wfx h ARG 410 CO 0.71 0.16 -0.09 0.77 0.00 0.00 0.00 179.97 181.52 2wfx h SER 411 N 0.25 0.00 -3.81 7.04 0.02 -1.89 -3.45 113.55 111.71 2wfx h SER 411 Ca 0.20 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.59 2wfx h SER 411 Cb 0.48 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.16 2wfx h SER 411 CO -0.04 0.09 0.46 0.59 -1.14 0.00 0.00 176.83 176.79 2wfx n ASN 412 N -3.61 2.17 -0.08 3.07 4.13 -0.05 -2.04 115.26 118.85 2wfx n ASN 412 Ca -0.02 0.96 0.02 0.00 1.68 0.00 0.00 54.58 57.22 2wfx n ASN 412 Cb 0.21 -1.51 0.34 0.00 -1.54 0.00 0.00 39.78 37.28 2wfx n ASN 412 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2wfx h PRO 413 N 1.30 0.70 -0.42 3.52 0.11 -1.82 -3.11 132.00 132.28 2wfx h PRO 413 Ca -0.50 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.32 2wfx h PRO 413 Cb 1.32 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 2wfx h PRO 413 CO 0.56 0.49 -0.12 0.72 -0.21 0.00 0.00 178.00 179.43 2wfx n HIS 414 N -4.43 1.33 -2.35 0.65 8.25 -1.26 -3.86 115.22 113.55 2wfx n HIS 414 Ca 0.05 -1.75 -0.41 0.00 -0.26 0.00 0.00 57.72 55.34 2wfx n HIS 414 Cb 0.07 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 30.63 2wfx n HIS 414 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wfx s PHE 415 N -3.32 3.39 -1.51 4.41 5.36 -1.17 -2.93 117.98 122.21 2wfx s PHE 415 Ca 0.46 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2wfx s PHE 415 Cb 0.41 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.63 2wfx s PHE 415 CO -0.00 -1.32 0.00 -1.71 -1.46 0.00 0.00 175.22 170.72 2wfx n ASN 416 N 2.51 -4.72 -4.68 6.13 5.15 -1.26 -4.98 115.26 113.42 2wfx n ASN 416 Ca 0.05 0.29 -0.37 0.00 -0.60 0.00 0.00 54.58 53.95 2wfx n ASN 416 Cb 0.44 -3.58 -0.09 0.00 -0.53 0.00 0.00 39.78 36.02 2wfx n ASN 416 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2wfx s SER 417 N -2.75 6.23 -0.66 1.20 0.15 -1.15 -4.99 113.70 111.73 2wfx s SER 417 Ca 0.00 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.92 2wfx s SER 417 Cb 0.00 -2.14 0.38 0.00 -1.71 0.00 0.00 66.02 62.56 2wfx s SER 417 CO 0.00 0.06 1.61 0.35 1.20 0.00 0.00 173.24 176.46 2wfx n THR 418 N 4.10 3.05 -0.29 6.45 -2.24 -1.26 -4.33 114.28 119.76 2wfx n THR 418 Ca -0.13 -4.56 0.00 0.00 -2.27 0.00 0.00 64.05 57.09 2wfx n THR 418 Cb 0.52 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 2wfx n THR 418 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2wfx n ASN 419 N -0.52 0.00 -3.87 3.42 5.15 -1.26 -5.14 115.26 113.03 2wfx n ASN 419 Ca 0.47 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.35 2wfx n ASN 419 Cb 0.44 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.60 2wfx n ASN 419 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2wfx s GLN 420 N 0.00 0.65 -0.09 1.20 -0.21 -1.26 -5.12 119.66 114.83 2wfx s GLN 420 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 54.42 2wfx s GLN 420 Cb 0.00 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 34.22 2wfx s GLN 420 CO 0.00 -0.18 1.72 -1.25 -2.12 0.00 0.00 175.29 173.47 2wfx s PRO 421 N -2.53 4.03 0.63 2.91 0.04 -1.26 -4.80 135.00 134.01 2wfx s PRO 421 Ca -0.05 2.12 0.40 0.00 0.04 0.00 0.00 61.00 63.51 2wfx s PRO 421 Cb -0.01 -4.04 2.06 0.00 0.04 0.00 0.00 34.50 32.55 2wfx s PRO 421 CO -0.04 -1.04 2.25 -1.35 0.04 0.00 0.00 177.00 176.86 2wfx h PRO 422 N 10.28 0.00 -0.04 0.56 0.11 -1.87 -2.45 132.00 138.59 2wfx h PRO 422 Ca -0.40 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 2wfx h PRO 422 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2wfx h PRO 422 CO 0.96 0.01 -0.56 0.93 -0.21 0.00 0.00 178.00 179.13 2wfx h GLU 423 N 0.00 0.11 -6.16 1.05 3.07 -1.88 -3.43 114.58 107.34 2wfx h GLU 423 Ca -0.00 -0.07 -0.57 0.00 -0.50 0.00 0.00 59.36 58.23 2wfx h GLU 423 Cb 0.17 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 2wfx h GLU 423 CO 0.00 0.64 0.90 0.08 -1.40 0.00 0.00 179.01 179.23 2wfx s VAL 424 N -3.79 4.25 -0.20 3.13 1.01 -0.92 -1.36 120.40 122.51 2wfx s VAL 424 Ca -0.03 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.29 2wfx s VAL 424 Cb 0.13 -3.97 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 2wfx s VAL 424 CO 0.77 -0.13 0.16 0.33 0.00 0.00 0.00 175.10 176.24 2wfx n PHE 425 N 6.56 0.91 -3.55 5.22 7.35 -0.62 -4.48 117.46 128.86 2wfx n PHE 425 Ca 0.14 0.34 -0.14 0.00 -0.76 0.00 0.00 57.45 57.03 2wfx n PHE 425 Cb 0.45 -1.10 -0.05 0.00 0.35 0.00 0.00 39.48 39.13 2wfx n PHE 425 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wfx s ALA 426 N -2.43 -1.37 0.27 3.13 0.00 -1.18 -4.03 121.76 116.15 2wfx s ALA 426 Ca -0.29 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2wfx s ALA 426 Cb 0.07 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 2wfx s ALA 426 CO 0.62 -0.54 0.11 -3.38 0.00 0.00 0.00 175.76 172.57 2wfx s HIS 427 N -2.63 1.54 0.00 0.00 -3.43 -1.26 0.49 115.29 110.00 2wfx s HIS 427 Ca -0.04 -1.24 0.00 0.00 -0.80 0.00 0.00 55.06 52.98 2wfx s HIS 427 Cb -0.00 -0.88 0.00 0.00 -1.43 0.00 0.00 32.58 30.27 2wfx s HIS 427 CO -0.03 -0.40 0.00 0.41 -2.00 0.00 0.00 174.74 172.72 2wfx n GLY 428 N -0.49 0.25 3.81 -1.38 0.00 0.09 -4.61 105.19 102.86 2wfx n GLY 428 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wfx n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wfx s LEU 429 N 0.00 3.01 0.00 0.99 1.43 -0.10 -5.02 118.68 118.99 2wfx s LEU 429 Ca 0.00 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2wfx s LEU 429 Cb 0.00 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2wfx s LEU 429 CO 0.00 -1.58 0.00 1.41 0.23 0.00 0.00 176.35 176.41 2wfx n HIS 430 N -3.21 0.00 -3.54 0.29 8.25 -1.26 -3.94 115.22 111.80 2wfx n HIS 430 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.24 2wfx n HIS 430 Cb 0.54 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 2wfx n HIS 430 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wfx n ASP 431 N -0.76 3.85 -4.68 0.41 4.64 -1.26 -1.32 116.55 117.43 2wfx n ASP 431 Ca 0.00 -3.35 -0.42 0.00 -1.38 0.00 0.00 54.79 49.64 2wfx n ASP 431 Cb 0.00 -0.79 -0.03 0.00 -1.04 0.00 0.00 41.12 39.26 2wfx n ASP 431 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 2wfx s PRO 432 N -2.11 4.35 0.00 -0.67 0.02 -1.26 -3.02 135.00 132.30 2wfx s PRO 432 Ca 0.34 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2wfx s PRO 432 Cb 0.06 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2wfx s PRO 432 CO -0.06 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 2wfx n GLY 433 N 3.26 -1.58 3.65 0.52 0.00 -1.21 -4.81 105.19 105.02 2wfx n GLY 433 Ca 0.08 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 2wfx n GLY 433 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wfx s ARG 434 N 0.00 4.11 -0.12 1.61 3.52 -0.71 -4.83 118.95 122.54 2wfx s ARG 434 Ca 0.00 1.98 -0.22 0.00 -0.13 0.00 0.00 55.73 57.36 2wfx s ARG 434 Cb 0.00 -3.95 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 2wfx s ARG 434 CO 0.00 -0.91 0.67 0.00 -0.81 0.00 0.00 175.30 174.25 2wfx s ALA 436 N 1.25 3.16 -0.17 0.00 0.00 0.12 -4.83 121.76 121.29 2wfx s ALA 436 Ca 0.34 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2wfx s ALA 436 Cb -0.17 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.55 2wfx s ALA 436 CO 0.14 -0.73 -0.10 0.08 0.00 0.00 0.00 175.76 175.16 2wfx s VAL 437 N -1.35 1.43 -0.39 0.00 1.01 -1.26 -0.86 120.40 118.97 2wfx s VAL 437 Ca 0.59 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2wfx s VAL 437 Cb -0.34 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2wfx s VAL 437 CO 0.43 0.24 0.29 -0.62 0.00 0.00 0.00 175.10 175.44 2wfx s ASP 438 N 1.51 6.10 0.19 3.32 3.68 -0.74 -4.28 116.67 126.45 2wfx s ASP 438 Ca 0.01 -0.77 0.24 0.00 2.13 0.00 0.00 52.55 54.15 2wfx s ASP 438 Cb -0.15 -2.16 0.25 0.00 -1.45 0.00 0.00 42.92 39.41 2wfx s ASP 438 CO -0.09 -0.40 1.28 0.03 0.13 0.00 0.00 175.17 176.12 2wfx h ARG 439 N 8.60 0.00 -2.20 4.34 3.08 -1.88 -2.80 114.38 123.52 2wfx h ARG 439 Ca -0.28 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.18 2wfx h ARG 439 Cb 1.13 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.77 2wfx h ARG 439 CO 0.71 0.00 -0.82 0.72 -1.07 0.00 0.00 179.97 179.51 2wfx n HIS 440 N -2.44 1.71 -1.88 3.04 8.25 -1.26 -4.71 115.22 117.93 2wfx n HIS 440 Ca 0.02 -3.87 -0.41 0.00 -0.26 0.00 0.00 57.72 53.20 2wfx n HIS 440 Cb 0.49 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 2wfx n HIS 440 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2wfx s PRO 441 N -1.71 4.17 0.44 -0.41 0.02 -1.26 -4.89 135.00 131.37 2wfx s PRO 441 Ca 0.36 2.48 0.11 0.00 0.02 0.00 0.00 61.00 63.97 2wfx s PRO 441 Cb 0.13 -3.01 0.99 0.00 0.02 0.00 0.00 34.50 32.63 2wfx s PRO 441 CO -0.08 -0.47 2.05 1.79 -0.33 0.00 0.00 177.00 179.96 2wfx h THR 442 N 3.12 1.02 -2.48 0.99 1.35 -1.98 -3.40 112.91 111.52 2wfx h THR 442 Ca -0.49 -0.14 -0.55 0.00 -0.55 0.00 0.00 66.41 64.67 2wfx h THR 442 Cb 1.23 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2wfx h THR 442 CO 0.69 0.08 1.20 -0.62 -0.25 0.00 0.00 175.52 176.61 2wfx s ASP 443 N -6.60 6.37 0.33 5.36 -1.08 -1.26 -4.88 116.67 114.90 2wfx s ASP 443 Ca -0.07 2.19 0.01 0.00 -0.52 0.00 0.00 52.55 54.16 2wfx s ASP 443 Cb 0.18 -2.53 0.57 0.00 -1.46 0.00 0.00 42.92 39.68 2wfx s ASP 443 CO 0.73 -1.18 1.98 -0.29 0.52 0.00 0.00 175.17 176.92 2wfx h ILE 444 N 5.94 1.15 -0.01 4.11 6.09 -2.02 -2.14 117.51 130.63 2wfx h ILE 444 Ca -0.42 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2wfx h ILE 444 Cb 1.20 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.60 2wfx h ILE 444 CO 0.96 0.17 0.00 0.59 -3.07 0.00 0.00 178.15 176.81 2wfx n ASN 445 N -4.44 0.10 -4.13 2.19 3.02 -1.26 -4.73 115.26 106.01 2wfx n ASN 445 Ca 0.09 -1.41 -0.30 0.00 -0.03 0.00 0.00 54.58 52.92 2wfx n ASN 445 Cb 0.08 -0.01 -0.17 0.00 -0.61 0.00 0.00 39.78 39.08 2wfx n ASN 445 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wfx s ILE 446 N -1.99 1.80 -0.71 2.41 1.01 -0.81 -1.28 121.20 121.64 2wfx s ILE 446 Ca 0.29 -0.84 0.22 0.00 0.00 0.00 0.00 60.65 60.32 2wfx s ILE 446 Cb 0.14 -1.59 -0.23 0.00 0.01 0.00 0.00 42.46 40.78 2wfx s ILE 446 CO 0.23 0.50 0.83 -3.20 0.00 0.00 0.00 174.94 173.29 2wfx n ASN 447 N 3.94 0.68 -3.58 3.58 2.85 -0.90 -4.44 115.26 117.38 2wfx n ASN 447 Ca -0.20 -0.62 -0.12 0.00 -0.11 0.00 0.00 54.58 53.53 2wfx n ASN 447 Cb 0.52 1.20 -0.06 0.00 1.24 0.00 0.00 39.78 42.68 2wfx n ASN 447 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2wfx s LEU 448 N -3.50 -0.48 -0.08 1.20 2.96 -1.23 -4.67 118.68 112.88 2wfx s LEU 448 Ca 0.04 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 54.59 2wfx s LEU 448 Cb 0.15 2.07 0.04 0.00 0.50 0.00 0.00 46.19 48.95 2wfx s LEU 448 CO 0.87 -0.35 0.17 0.28 -1.32 0.00 0.00 176.35 176.00 2wfx s THR 449 N -0.68 -0.14 -0.35 3.68 -1.32 -1.06 -1.91 115.64 113.86 2wfx s THR 449 Ca -0.02 0.24 -0.08 0.00 -1.21 0.00 0.00 61.69 60.61 2wfx s THR 449 Cb -0.02 -0.29 0.03 0.00 -1.51 0.00 0.00 72.50 70.72 2wfx s THR 449 CO 0.02 0.10 0.15 -0.63 -2.21 0.00 0.00 174.62 172.04 2wfx s ILE 450 N 1.63 4.11 -0.30 5.08 -1.09 -0.68 -1.80 121.20 128.15 2wfx s ILE 450 Ca -0.05 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.23 2wfx s ILE 450 Cb -0.12 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2wfx s ILE 450 CO -0.06 -0.21 0.24 -0.22 -1.23 0.00 0.00 174.94 173.46 2wfx s LEU 451 N 1.46 4.19 -0.08 2.97 0.20 -0.04 0.23 118.68 127.60 2wfx s LEU 451 Ca -0.00 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.75 2wfx s LEU 451 Cb -0.19 -2.18 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 2wfx s LEU 451 CO 0.04 -0.14 -0.17 0.00 -0.29 0.00 0.00 176.35 175.80 2wfx s SER 453 N -0.16 6.82 -0.09 0.00 1.04 -1.26 -1.96 113.70 118.09 2wfx s SER 453 Ca -0.01 -2.59 -0.21 0.00 0.48 0.00 0.00 55.95 53.61 2wfx s SER 453 Cb -0.14 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 2wfx s SER 453 CO 0.03 -0.75 0.61 -0.62 0.98 0.00 0.00 173.24 173.50 2wfx s ASP 454 N 2.72 6.87 0.00 7.02 -1.08 -1.24 -3.33 116.67 127.63 2wfx s ASP 454 Ca 0.29 1.04 0.22 0.00 -0.52 0.00 0.00 52.55 53.58 2wfx s ASP 454 Cb -0.07 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.47 2wfx s ASP 454 CO -0.08 -0.07 1.39 -1.54 0.52 0.00 0.00 175.17 175.39 2wfx n SER 455 N 3.75 3.47 0.00 -0.34 3.41 -1.17 -1.67 113.62 121.08 2wfx n SER 455 Ca -0.03 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 2wfx n SER 455 Cb 0.51 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2wfx n SER 455 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wfx n ASN 456 N 1.43 0.00 -3.52 4.04 4.13 -1.26 -4.32 115.26 115.76 2wfx n ASN 456 Ca 0.19 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.21 2wfx n ASN 456 Cb 0.59 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.88 2wfx n ASN 456 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2wfx n ARG 460 N 0.00 -2.11 -3.86 3.52 3.00 -1.26 -4.96 116.66 110.99 2wfx n ARG 460 Ca 0.00 0.63 -0.36 0.00 -0.00 0.00 0.00 57.85 58.12 2wfx n ARG 460 Cb 0.00 -4.90 -0.11 0.00 0.00 0.00 0.00 32.46 27.44 2wfx n ARG 460 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2wfx s SER 461 N -3.56 5.36 0.00 6.15 1.04 -1.26 -5.07 113.70 116.36 2wfx s SER 461 Ca 0.41 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2wfx s SER 461 Cb -0.11 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2wfx s SER 461 CO 0.81 0.04 0.00 -1.54 0.98 0.00 0.00 173.24 173.53 2wfx n SER 462 N 4.40 0.00 -3.16 7.02 3.41 -0.67 -4.98 113.62 119.64 2wfx n SER 462 Ca -0.16 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2wfx n SER 462 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2wfx n SER 462 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wfx s ALA 463 N -2.21 -3.46 0.11 7.33 0.00 -1.07 -3.61 121.76 118.84 2wfx s ALA 463 Ca 0.00 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.45 2wfx s ALA 463 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2wfx s ALA 463 CO 0.00 -1.43 0.05 -0.98 0.00 0.00 0.00 175.76 173.40 2wfx s ARG 464 N 2.92 2.70 0.04 0.00 1.70 -0.83 -2.11 118.95 123.37 2wfx s ARG 464 Ca -0.02 -0.82 0.05 0.00 -0.47 0.00 0.00 55.73 54.46 2wfx s ARG 464 Cb -0.10 -2.60 -0.02 0.00 -0.57 0.00 0.00 34.95 31.66 2wfx s ARG 464 CO -0.11 0.53 -0.14 -1.50 -1.08 0.00 0.00 175.30 173.01 2wfx s ILE 465 N -1.45 1.08 -0.25 4.99 -1.16 -0.22 -0.57 121.20 123.62 2wfx s ILE 465 Ca 0.28 -0.98 -0.08 0.00 -0.51 0.00 0.00 60.65 59.36 2wfx s ILE 465 Cb -0.11 -0.98 -0.03 0.00 0.61 0.00 0.00 42.46 41.95 2wfx s ILE 465 CO 0.20 -0.00 0.08 -0.22 -2.81 0.00 0.00 174.94 172.19 2wfx s LEU 466 N -1.13 3.52 -0.16 8.50 2.96 0.14 -1.35 118.68 131.16 2wfx s LEU 466 Ca 0.01 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.60 2wfx s LEU 466 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2wfx s LEU 466 CO 0.01 -0.02 0.36 -1.10 -1.32 0.00 0.00 176.35 174.29 2wfx s GLN 467 N 1.51 4.27 -0.55 1.98 -1.52 -1.26 -1.68 119.66 122.42 2wfx s GLN 467 Ca 0.06 0.21 0.03 0.00 -1.95 0.00 0.00 55.36 53.71 2wfx s GLN 467 Cb -0.15 -3.45 0.14 0.00 -0.22 0.00 0.00 33.01 29.33 2wfx s GLN 467 CO 0.04 0.17 0.30 0.42 -0.25 0.00 0.00 175.29 175.97 2wfx s ILE 468 N 0.65 2.84 0.24 1.08 1.01 -0.80 -5.01 121.20 121.21 2wfx s ILE 468 Ca 0.20 -3.27 -0.31 0.00 0.00 0.00 0.00 60.65 57.27 2wfx s ILE 468 Cb -0.14 -2.94 -0.12 0.00 0.01 0.00 0.00 42.46 39.27 2wfx s ILE 468 CO 0.06 -0.82 1.63 -0.38 0.00 0.00 0.00 174.94 175.43 2wfx n ILE 469 N 3.16 0.53 -1.78 2.92 -0.00 -1.26 -2.12 119.36 120.81 2wfx n ILE 469 Ca 0.06 -0.13 -0.42 0.00 -0.00 0.00 0.00 62.75 62.26 2wfx n ILE 469 Cb 0.33 -1.88 -0.03 0.00 -0.00 0.00 0.00 39.64 38.06 2wfx n ILE 469 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2wfx s LYS 470 N 0.27 4.15 -1.48 0.38 2.20 -0.40 -2.89 119.74 121.98 2wfx s LYS 470 Ca 0.70 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.85 2wfx s LYS 470 Cb -0.53 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2wfx s LYS 470 CO 0.41 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 2wfx n GLY 471 N 3.95 0.88 3.66 5.54 0.00 -1.26 -4.94 105.19 113.02 2wfx n GLY 471 Ca 0.16 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2wfx n GLY 471 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wfx s LYS 472 N -3.81 4.03 -0.88 1.61 2.20 -1.14 -5.04 119.74 116.72 2wfx s LYS 472 Ca 0.00 -0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.15 2wfx s LYS 472 Cb 0.00 -3.31 0.19 0.00 -1.51 0.00 0.00 37.83 33.20 2wfx s LYS 472 CO 0.00 0.24 0.92 0.34 -0.36 0.00 0.00 175.35 176.49 2wfx s ASP 473 N 0.48 6.73 0.19 1.43 2.15 -1.26 -4.86 116.67 121.54 2wfx s ASP 473 Ca 0.05 -2.48 -0.33 0.00 0.43 0.00 0.00 52.55 50.22 2wfx s ASP 473 Cb -0.12 -2.28 -0.13 0.00 -0.30 0.00 0.00 42.92 40.08 2wfx s ASP 473 CO 0.00 -0.75 1.55 -1.22 -0.17 0.00 0.00 175.17 174.59 2wfx n TYR 474 N 4.90 2.35 0.06 -5.34 4.01 -0.87 -4.88 117.16 117.39 2wfx n TYR 474 Ca 0.18 0.28 0.03 0.00 -0.16 0.00 0.00 57.90 58.24 2wfx n TYR 474 Cb 0.48 -2.54 0.06 0.00 -0.31 0.00 0.00 39.34 37.03 2wfx n TYR 474 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wfx n GLU 475 N 3.05 1.63 -3.58 -0.72 -0.58 -1.26 -3.47 120.64 115.71 2wfx n GLU 475 Ca 0.15 -1.42 -0.12 0.00 -0.42 0.00 0.00 57.16 55.34 2wfx n GLU 475 Cb 0.31 -1.15 -0.06 0.00 -0.57 0.00 0.00 31.44 29.97 2wfx n GLU 475 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2wfx s SER 476 N -0.81 -0.50 0.33 1.62 1.04 -1.25 -4.84 113.70 109.29 2wfx s SER 476 Ca 0.11 0.70 -0.28 0.00 0.48 0.00 0.00 55.95 56.96 2wfx s SER 476 Cb 0.06 0.62 -0.13 0.00 0.10 0.00 0.00 66.02 66.68 2wfx s SER 476 CO 0.09 -0.35 1.28 -0.62 0.98 0.00 0.00 173.24 174.61 2wfx n GLU 477 N 1.33 2.05 -2.21 4.02 1.02 -1.26 -4.79 120.64 120.80 2wfx n GLU 477 Ca -0.13 0.72 -0.32 0.00 -0.02 0.00 0.00 57.16 57.41 2wfx n GLU 477 Cb 0.57 -2.29 -0.02 0.00 -0.02 0.00 0.00 31.44 29.68 2wfx n GLU 477 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2wfx s PRO 478 N -1.70 3.77 -0.09 3.49 0.02 -1.26 -5.04 135.00 134.18 2wfx s PRO 478 Ca 0.57 0.93 -0.20 0.00 0.02 0.00 0.00 61.00 62.32 2wfx s PRO 478 Cb -0.59 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 2wfx s PRO 478 CO 0.61 -0.42 0.56 0.45 -0.33 0.00 0.00 177.00 177.87 2wfx s SER 479 N -3.33 6.81 0.15 2.53 0.15 -1.26 -4.63 113.70 114.12 2wfx s SER 479 Ca 0.58 0.96 -0.31 0.00 0.70 0.00 0.00 55.95 57.88 2wfx s SER 479 Cb -0.11 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.76 2wfx s SER 479 CO 0.38 -0.03 1.78 -0.76 1.20 0.00 0.00 173.24 175.81 2wfx s LEU 480 N 0.64 4.39 -0.19 3.45 1.43 -1.26 -4.84 118.68 122.29 2wfx s LEU 480 Ca 0.30 2.78 -0.29 0.00 -1.03 0.00 0.00 54.13 55.89 2wfx s LEU 480 Cb -0.16 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 2wfx s LEU 480 CO 0.13 -0.99 1.26 -0.76 0.23 0.00 0.00 176.35 176.22 2wfx s LEU 481 N 2.20 4.13 -0.22 1.79 1.43 -0.46 -4.81 118.68 122.74 2wfx s LEU 481 Ca 0.78 1.59 -0.08 0.00 -1.03 0.00 0.00 54.13 55.39 2wfx s LEU 481 Cb -0.47 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 2wfx s LEU 481 CO 0.35 -0.81 0.10 -0.70 0.23 0.00 0.00 176.35 175.51 2wfx s GLU 482 N 3.60 3.93 0.05 1.70 2.12 -1.26 -1.06 118.70 127.78 2wfx s GLU 482 Ca 0.54 -0.35 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 2wfx s GLU 482 Cb -0.20 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.87 2wfx s GLU 482 CO 0.15 0.09 0.38 -0.59 -0.54 0.00 0.00 175.26 174.76 2wfx s PHE 483 N 0.90 -0.21 -0.66 5.30 -0.71 -0.90 -5.02 117.98 116.67 2wfx s PHE 483 Ca 0.05 0.13 -0.00 0.00 -1.04 0.00 0.00 56.93 56.07 2wfx s PHE 483 Cb -0.13 0.18 0.17 0.00 -1.21 0.00 0.00 43.02 42.03 2wfx s PHE 483 CO 0.03 -0.56 0.47 0.15 -1.34 0.00 0.00 175.22 173.96 2wfx s LYS 484 N -2.57 2.55 -0.10 1.99 1.02 -1.26 -2.58 119.74 118.79 2wfx s LYS 484 Ca -0.05 -2.77 -0.05 0.00 0.02 0.00 0.00 55.97 53.12 2wfx s LYS 484 Cb -0.01 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 2wfx s LYS 484 CO -0.03 -1.19 -0.09 -1.00 -0.92 0.00 0.00 175.35 172.12 2wfx h PRO 485 N 6.56 0.00 -6.18 -1.68 0.14 -1.91 -3.48 132.00 125.45 2wfx h PRO 485 Ca 0.02 0.00 -0.72 0.00 0.14 0.00 0.00 66.00 65.44 2wfx h PRO 485 Cb 0.89 0.00 0.05 0.00 0.14 0.00 0.00 31.00 32.08 2wfx h PRO 485 CO 0.73 0.00 0.40 1.19 0.14 0.00 0.00 178.00 180.46 2wfx n PHE 486 N -4.12 1.34 0.00 1.56 3.72 -1.26 -4.89 117.46 113.81 2wfx n PHE 486 Ca -0.04 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 2wfx n PHE 486 Cb 0.14 -2.27 0.00 0.00 -0.94 0.00 0.00 39.48 36.40 2wfx n PHE 486 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wfx n SER 487 N 2.57 0.00 -3.64 4.37 7.64 -1.26 -4.85 113.62 118.44 2wfx n SER 487 Ca 0.20 0.87 -0.03 0.00 1.01 0.00 0.00 58.87 60.92 2wfx n SER 487 Cb 0.15 -0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 2wfx n SER 487 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2wfx s ASN 488 N -2.66 -0.50 0.00 6.43 2.47 -1.26 -5.17 114.94 114.24 2wfx s ASN 488 Ca 0.00 0.81 0.00 0.00 0.42 0.00 0.00 52.86 54.09 2wfx s ASN 488 Cb 0.00 1.17 0.00 0.00 -1.45 0.00 0.00 41.25 40.97 2wfx s ASN 488 CO 0.00 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.86 2wfx n GLY 489 N 3.58 3.57 3.78 1.21 0.00 -1.26 -5.09 105.19 110.97 2wfx n GLY 489 Ca -0.18 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 2wfx n GLY 489 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wfx s PRO 490 N -3.08 3.75 -0.04 1.61 0.02 -1.26 -5.05 135.00 130.96 2wfx s PRO 490 Ca 0.00 1.52 0.04 0.00 0.02 0.00 0.00 61.00 62.58 2wfx s PRO 490 Cb 0.00 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 2wfx s PRO 490 CO 0.00 -0.50 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.52 2wfx s LEU 491 N -3.32 1.87 0.07 -5.54 1.02 -1.26 -4.66 118.68 106.86 2wfx s LEU 491 Ca 0.66 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 54.21 2wfx s LEU 491 Cb -0.21 -0.83 -0.18 0.00 0.02 0.00 0.00 46.19 44.99 2wfx s LEU 491 CO 0.26 0.12 1.65 0.58 0.02 0.00 0.00 176.35 178.98 2wfx h VAL 492 N 5.30 0.50 0.00 -1.59 2.07 -1.57 -3.44 116.25 117.53 2wfx h VAL 492 Ca -0.33 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2wfx h VAL 492 Cb 1.17 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2wfx h VAL 492 CO 0.48 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.68 2wfx n GLY 493 N -1.37 -1.35 1.79 2.17 0.00 -1.23 -1.73 105.19 103.47 2wfx n GLY 493 Ca -0.12 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 2wfx n GLY 493 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wfx n GLY 494 N -0.05 2.84 3.57 -0.02 0.00 -0.40 -2.20 105.19 108.92 2wfx n GLY 494 Ca 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 2wfx n GLY 494 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wfx s PHE 495 N -3.53 -0.24 -0.14 1.61 -0.71 -0.81 -3.71 117.98 110.45 2wfx s PHE 495 Ca 0.17 0.10 -0.07 0.00 -1.04 0.00 0.00 56.93 56.10 2wfx s PHE 495 Cb -0.00 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 2wfx s PHE 495 CO 0.12 -0.47 0.09 0.08 -1.34 0.00 0.00 175.22 173.70 2wfx s VAL 496 N -2.90 5.05 -0.40 -2.49 1.01 -1.26 -0.64 120.40 118.76 2wfx s VAL 496 Ca 0.08 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 2wfx s VAL 496 Cb -0.01 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2wfx s VAL 496 CO -0.06 0.54 0.71 -0.47 0.00 0.00 0.00 175.10 175.82 2wfx s TYR 497 N -0.39 3.08 -0.29 5.22 5.04 -0.99 -4.89 117.35 124.14 2wfx s TYR 497 Ca 0.10 0.25 0.08 0.00 -2.44 0.00 0.00 57.07 55.07 2wfx s TYR 497 Cb -0.12 -3.38 0.47 0.00 0.35 0.00 0.00 41.96 39.28 2wfx s TYR 497 CO 0.02 -0.80 1.37 0.54 -1.34 0.00 0.00 175.55 175.34 2wfx n ARG 498 N 6.36 2.11 -2.31 4.97 5.12 -1.26 -0.44 116.66 131.21 2wfx n ARG 498 Ca 0.01 -3.41 -0.27 0.00 -1.93 0.00 0.00 57.85 52.25 2wfx n ARG 498 Cb 0.48 -1.86 0.16 0.00 -1.16 0.00 0.00 32.46 30.08 2wfx n ARG 498 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2wfx s GLY 499 N -2.90 1.78 -0.02 -0.13 0.00 -1.24 -4.71 107.32 100.10 2wfx s GLY 499 Ca 0.45 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.58 2wfx s GLY 499 CO -0.02 -0.90 0.07 0.00 0.00 0.00 0.00 173.10 172.25 2wfx h GLN 501 N 0.00 1.15 -6.55 0.00 5.75 -1.94 -3.42 115.11 110.10 2wfx h GLN 501 Ca -0.03 -0.07 -0.70 0.00 -0.15 0.00 0.00 58.65 57.70 2wfx h GLN 501 Cb 0.53 -0.26 -0.28 0.00 1.07 0.00 0.00 27.48 28.54 2wfx h GLN 501 CO 0.00 0.76 -0.86 0.45 -2.65 0.00 0.00 178.83 176.53 2wfx s SER 502 N -5.92 3.29 -0.24 -0.69 0.15 -1.26 -4.67 113.70 104.36 2wfx s SER 502 Ca -0.13 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.17 2wfx s SER 502 Cb 0.20 -0.46 -0.19 0.00 -1.71 0.00 0.00 66.02 63.86 2wfx s SER 502 CO 0.81 0.32 -0.13 -0.62 1.20 0.00 0.00 173.24 174.82 2wfx n GLU 503 N 2.36 0.66 0.00 5.44 1.02 -1.26 -4.03 120.64 124.83 2wfx n GLU 503 Ca -0.16 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2wfx n GLU 503 Cb 0.51 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2wfx n GLU 503 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2wfx n ARG 504 N -3.13 0.71 0.00 3.49 1.85 -1.26 -2.72 116.66 115.60 2wfx n ARG 504 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.43 2wfx n ARG 504 Cb 1.04 -1.02 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 2wfx n ARG 504 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2wfx n LEU 505 N -0.45 0.00 -4.62 2.89 7.94 -1.26 -5.00 117.00 116.50 2wfx n LEU 505 Ca 0.00 -0.03 -0.45 0.00 -1.11 0.00 0.00 56.01 54.41 2wfx n LEU 505 Cb 0.01 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.92 2wfx n LEU 505 CO 0.00 0.00 1.70 0.00 -1.11 0.00 0.00 177.39 177.98 2wfx n TYR 506 N -0.72 2.15 -0.14 1.96 9.36 -1.10 -1.30 117.16 127.37 2wfx n TYR 506 Ca 0.00 -0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.10 2wfx n TYR 506 Cb 0.00 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.00 2wfx n TYR 506 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wfx n GLY 507 N 5.23 0.63 3.84 2.98 0.00 0.42 -5.01 105.19 113.28 2wfx n GLY 507 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2wfx n GLY 507 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wfx s SER 508 N -2.84 6.82 0.29 1.61 0.01 -0.42 -4.83 113.70 114.35 2wfx s SER 508 Ca 0.00 1.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.99 2wfx s SER 508 Cb 0.00 -2.26 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 2wfx s SER 508 CO 0.00 0.21 0.99 -0.31 0.41 0.00 0.00 173.24 174.54 2wfx s TYR 509 N -1.29 3.71 -0.21 2.43 1.51 -0.73 -2.34 117.35 120.43 2wfx s TYR 509 Ca 0.31 1.79 -0.02 0.00 -1.01 0.00 0.00 57.07 58.15 2wfx s TYR 509 Cb -0.16 -3.05 0.06 0.00 -0.11 0.00 0.00 41.96 38.70 2wfx s TYR 509 CO 0.17 0.01 0.03 0.08 -1.11 0.00 0.00 175.55 174.73 2wfx s VAL 510 N -1.37 0.70 -0.05 0.71 1.01 0.19 -1.62 120.40 119.97 2wfx s VAL 510 Ca 0.47 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2wfx s VAL 510 Cb -0.25 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2wfx s VAL 510 CO 0.31 -0.24 -0.16 -0.36 0.00 0.00 0.00 175.10 174.65 2wfx s PHE 511 N 1.77 2.65 0.15 5.22 0.40 -0.94 -1.93 117.98 125.30 2wfx s PHE 511 Ca -0.01 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2wfx s PHE 511 Cb -0.17 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 2wfx s PHE 511 CO -0.10 0.16 -0.03 0.20 0.70 0.00 0.00 175.22 176.15 2wfx s GLY 512 N -0.72 1.06 0.45 4.36 0.00 -0.94 -0.92 107.32 110.61 2wfx s GLY 512 Ca 0.11 -1.50 0.07 0.00 0.00 0.00 0.00 44.72 43.40 2wfx s GLY 512 CO 0.00 -1.51 0.29 0.51 0.00 0.00 0.00 173.10 172.40 2wfx s ASP 513 N -3.13 4.65 0.00 1.64 1.47 -0.70 -1.43 116.67 119.17 2wfx s ASP 513 Ca 0.19 -1.05 0.12 0.00 1.18 0.00 0.00 52.55 52.99 2wfx s ASP 513 Cb 0.06 -0.22 0.60 0.00 -0.34 0.00 0.00 42.92 43.01 2wfx s ASP 513 CO 0.01 -0.74 1.33 -2.11 0.68 0.00 0.00 175.17 174.34 2wfx n ARG 514 N -1.47 0.13 0.10 2.11 1.85 -1.26 -1.97 116.66 116.15 2wfx n ARG 514 Ca -0.01 0.20 0.08 0.00 -1.00 0.00 0.00 57.85 57.12 2wfx n ARG 514 Cb 0.64 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.55 2wfx n ARG 514 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2wfx h ASN 515 N 0.00 0.00 0.00 2.89 4.21 -1.95 -2.37 115.58 118.36 2wfx h ASN 515 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wfx h ASN 515 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2wfx h ASN 515 CO 0.00 0.20 0.00 0.61 -1.29 0.00 0.00 177.43 176.95 2wfx n GLY 516 N 1.23 1.37 3.67 2.83 0.00 -0.83 -4.88 105.19 108.57 2wfx n GLY 516 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2wfx n GLY 516 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wfx s ASN 517 N -2.00 6.27 0.32 1.61 -0.87 -1.26 -4.93 114.94 114.08 2wfx s ASN 517 Ca 0.00 0.31 0.10 0.00 -1.57 0.00 0.00 52.86 51.70 2wfx s ASN 517 Cb 0.00 -2.17 -0.05 0.00 -0.02 0.00 0.00 41.25 39.01 2wfx s ASN 517 CO 0.00 -0.00 -0.04 -0.36 -2.57 0.00 0.00 177.10 174.13 2wfx s PHE 518 N 1.17 2.51 0.19 2.20 0.08 -1.26 -1.72 117.98 121.15 2wfx s PHE 518 Ca 0.13 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 2wfx s PHE 518 Cb -0.14 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2wfx s PHE 518 CO 0.06 0.56 0.32 -0.48 -0.10 0.00 0.00 175.22 175.57 2wfx s LEU 519 N -3.66 0.81 -0.06 -0.37 0.05 -0.10 -1.53 118.68 113.82 2wfx s LEU 519 Ca 0.33 -0.94 0.03 0.00 0.05 0.00 0.00 54.13 53.60 2wfx s LEU 519 Cb -0.02 1.25 0.01 0.00 -2.05 0.00 0.00 46.19 45.38 2wfx s LEU 519 CO 0.18 -0.95 -0.14 0.28 -0.55 0.00 0.00 176.35 175.17 2wfx s THR 520 N -4.00 1.22 -0.00 5.48 -1.32 0.31 -2.21 115.64 115.11 2wfx s THR 520 Ca 0.21 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 2wfx s THR 520 Cb 0.03 -1.09 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 2wfx s THR 520 CO 0.04 0.37 -0.06 -0.76 -2.21 0.00 0.00 174.62 171.99 2wfx s LEU 521 N 0.41 3.20 -0.11 9.08 1.43 -0.64 -2.07 118.68 129.98 2wfx s LEU 521 Ca -0.10 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 2wfx s LEU 521 Cb -0.14 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.29 2wfx s LEU 521 CO 0.03 0.29 0.40 -1.58 0.23 0.00 0.00 176.35 175.72 2wfx s GLN 522 N -1.40 0.58 0.00 1.70 0.74 -1.21 -1.78 119.66 118.30 2wfx s GLN 522 Ca 0.17 0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.91 2wfx s GLN 522 Cb -0.11 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.27 2wfx s GLN 522 CO 0.07 -0.11 0.00 0.94 -0.55 0.00 0.00 175.29 175.64 2wfx n GLN 523 N 2.24 3.74 -3.68 1.67 7.27 -1.26 -2.33 117.38 125.04 2wfx n GLN 523 Ca -0.16 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.81 2wfx n GLN 523 Cb 0.57 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.12 2wfx n GLN 523 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2wfx s SER 524 N -0.60 -0.61 0.41 1.69 0.01 -1.21 -4.86 113.70 108.52 2wfx s SER 524 Ca 0.00 1.04 0.20 0.00 1.31 0.00 0.00 55.95 58.50 2wfx s SER 524 Cb 0.00 0.93 1.13 0.00 0.21 0.00 0.00 66.02 68.29 2wfx s SER 524 CO 0.00 -0.20 1.79 -0.65 0.41 0.00 0.00 173.24 174.59 2wfx h PRO 525 N 6.93 0.36 -6.28 12.44 0.11 -1.98 -2.87 132.00 140.71 2wfx h PRO 525 Ca -0.34 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.14 2wfx h PRO 525 Cb 1.19 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.09 2wfx h PRO 525 CO 0.26 0.24 -0.73 0.14 -0.21 0.00 0.00 178.00 177.69 2wfx s VAL 526 N -5.44 2.79 0.00 3.15 -7.23 -1.26 -4.64 120.40 107.78 2wfx s VAL 526 Ca -0.08 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 2wfx s VAL 526 Cb 0.25 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2wfx s VAL 526 CO 0.80 -0.33 0.00 0.35 -0.31 0.00 0.00 175.10 175.61 2wfx n THR 527 N -0.52 0.00 -4.27 5.32 -2.24 -1.26 -4.37 114.28 106.94 2wfx n THR 527 Ca -0.07 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2wfx n THR 527 Cb 0.59 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 2wfx n THR 527 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wfx n LYS 528 N -0.45 -2.36 -2.96 -0.78 5.02 -1.08 -4.94 118.16 110.62 2wfx n LYS 528 Ca 0.00 0.29 -0.18 0.00 -2.02 0.00 0.00 58.31 56.40 2wfx n LYS 528 Cb 0.00 -4.75 0.02 0.00 -0.02 0.00 0.00 35.03 30.28 2wfx n LYS 528 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wfx s GLN 529 N -7.00 2.79 0.16 1.97 -1.52 -1.26 -4.78 119.66 110.02 2wfx s GLN 529 Ca 0.57 -1.07 0.11 0.00 -1.95 0.00 0.00 55.36 53.02 2wfx s GLN 529 Cb -0.32 -2.69 -0.04 0.00 -0.22 0.00 0.00 33.01 29.74 2wfx s GLN 529 CO 0.95 -0.36 -0.22 -1.58 -0.25 0.00 0.00 175.29 173.84 2wfx s TRP 530 N -2.45 2.39 -0.01 0.91 0.52 -1.26 -3.35 118.94 115.69 2wfx s TRP 530 Ca 0.54 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.36 2wfx s TRP 530 Cb -0.10 -1.22 -0.00 0.00 -1.15 0.00 0.00 33.47 30.99 2wfx s TRP 530 CO 0.34 0.44 -0.08 1.14 0.02 0.00 0.00 176.95 178.82 2wfx s GLN 531 N -2.44 0.66 -0.21 4.98 -2.07 -0.98 -5.00 119.66 114.59 2wfx s GLN 531 Ca 0.19 -0.28 -0.05 0.00 -1.82 0.00 0.00 55.36 53.41 2wfx s GLN 531 Cb -0.09 -0.63 -0.02 0.00 -1.09 0.00 0.00 33.01 31.18 2wfx s GLN 531 CO 0.10 0.16 -0.00 -1.21 -1.32 0.00 0.00 175.29 173.01 2wfx s GLU 532 N -0.14 3.53 -0.07 9.60 8.01 -1.26 -3.28 118.70 135.09 2wfx s GLU 532 Ca 0.02 -0.55 0.05 0.00 0.01 0.00 0.00 54.97 54.50 2wfx s GLU 532 Cb -0.04 -3.09 -0.00 0.00 -4.31 0.00 0.00 34.13 26.69 2wfx s GLU 532 CO -0.00 -0.10 -0.22 0.15 0.01 0.00 0.00 175.26 175.10 2wfx s LYS 533 N 1.27 2.50 0.41 1.61 3.01 -0.88 -4.96 119.74 122.70 2wfx s LYS 533 Ca 0.04 -0.79 -0.26 0.00 -1.01 0.00 0.00 55.97 53.95 2wfx s LYS 533 Cb -0.15 -2.01 -0.09 0.00 -1.01 0.00 0.00 37.83 34.57 2wfx s LYS 533 CO 0.00 0.24 1.43 -2.14 0.51 0.00 0.00 175.35 175.39 2wfx s PRO 534 N 0.15 3.89 -0.43 -1.68 0.02 -1.26 -0.53 135.00 135.16 2wfx s PRO 534 Ca -0.11 2.43 -0.08 0.00 0.02 0.00 0.00 61.00 63.26 2wfx s PRO 534 Cb -0.15 -2.79 0.10 0.00 0.02 0.00 0.00 34.50 31.67 2wfx s PRO 534 CO 0.05 -0.65 0.27 -1.17 -0.33 0.00 0.00 177.00 175.17 2wfx s LEU 535 N -2.43 5.31 0.41 -5.54 2.96 -0.58 -4.80 118.68 114.00 2wfx s LEU 535 Ca 0.57 -1.70 -0.24 0.00 -0.22 0.00 0.00 54.13 52.54 2wfx s LEU 535 Cb -0.44 -1.97 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 2wfx s LEU 535 CO 0.57 -0.58 1.10 0.00 -1.32 0.00 0.00 176.35 176.12 2wfx n LEU 537 N -0.10 0.00 -4.79 0.00 -0.00 -1.26 -0.65 117.00 110.20 2wfx n LEU 537 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.72 2wfx n LEU 537 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.87 2wfx n LEU 537 CO 0.47 0.00 0.71 -1.00 -0.00 0.00 0.00 177.39 177.57 2wfx s HIS 550 N 1.28 3.11 -0.06 1.47 0.09 -1.21 -4.64 115.29 115.33 2wfx s HIS 550 Ca 0.00 1.60 -0.23 0.00 -0.00 0.00 0.00 55.06 56.43 2wfx s HIS 550 Cb 0.00 -3.06 -0.04 0.00 -0.00 0.00 0.00 32.58 29.48 2wfx s HIS 550 CO 0.00 -0.70 0.70 0.42 -0.00 0.00 0.00 174.74 175.16 2wfx s ILE 551 N -1.90 5.02 -0.03 0.60 1.09 -0.89 -0.64 121.20 124.45 2wfx s ILE 551 Ca 0.64 1.44 0.10 0.00 -1.10 0.00 0.00 60.65 61.74 2wfx s ILE 551 Cb -0.17 -4.04 -0.16 0.00 -1.06 0.00 0.00 42.46 37.03 2wfx s ILE 551 CO 0.22 0.27 0.19 0.18 -0.10 0.00 0.00 174.94 175.69 2wfx n LEU 552 N 3.67 0.00 0.00 2.97 4.77 0.69 -4.64 117.00 124.47 2wfx n LEU 552 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2wfx n LEU 552 Cb 0.51 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2wfx n LEU 552 CO 0.47 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2wfx n GLY 553 N 2.00 -0.60 3.51 -0.72 0.00 -1.12 -4.75 105.19 103.51 2wfx n GLY 553 Ca -0.05 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 2wfx n GLY 553 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wfx s PHE 554 N -2.00 2.33 0.35 1.61 0.08 -1.26 -0.60 117.98 118.49 2wfx s PHE 554 Ca 0.00 -0.46 0.07 0.00 0.12 0.00 0.00 56.93 56.66 2wfx s PHE 554 Cb 0.00 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 2wfx s PHE 554 CO 0.00 0.61 0.25 0.20 -0.10 0.00 0.00 175.22 176.18 2wfx s GLY 555 N -3.56 2.43 -0.29 4.36 0.00 -0.18 -2.68 107.32 107.40 2wfx s GLY 555 Ca 0.31 -1.85 -0.15 0.00 0.00 0.00 0.00 44.72 43.04 2wfx s GLY 555 CO 0.16 -1.56 0.83 1.85 0.00 0.00 0.00 173.10 174.37 2wfx s GLU 556 N -3.50 0.50 0.80 2.90 2.12 -0.76 -0.63 118.70 120.13 2wfx s GLU 556 Ca 0.36 1.00 -0.10 0.00 0.36 0.00 0.00 54.97 56.60 2wfx s GLU 556 Cb 0.02 0.32 0.11 0.00 0.26 0.00 0.00 34.13 34.84 2wfx s GLU 556 CO 0.25 -0.13 1.13 0.16 -0.54 0.00 0.00 175.26 176.13 2wfx s ASP 557 N 1.95 4.25 0.35 -1.70 3.84 -0.44 -3.36 116.67 121.56 2wfx s ASP 557 Ca -0.08 0.39 0.24 0.00 -0.00 0.00 0.00 52.55 53.11 2wfx s ASP 557 Cb -0.06 -0.82 1.27 0.00 -1.38 0.00 0.00 42.92 41.93 2wfx s ASP 557 CO -0.18 -1.99 1.74 -0.08 -0.00 0.00 0.00 175.17 174.66 2wfx h GLU 558 N -0.97 0.00 -0.24 2.11 4.81 -1.87 -1.60 114.58 116.82 2wfx h GLU 558 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2wfx h GLU 558 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2wfx h GLU 558 CO 0.54 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 180.10 2wfx n LEU 559 N -2.35 3.04 0.00 1.64 4.77 -1.26 -4.95 117.00 117.89 2wfx n LEU 559 Ca -0.01 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2wfx n LEU 559 Cb 0.08 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2wfx n LEU 559 CO 0.13 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2wfx n GLY 560 N 1.41 1.93 3.75 -0.72 0.00 -0.60 -4.33 105.19 106.63 2wfx n GLY 560 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2wfx n GLY 560 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wfx s GLU 561 N -0.89 4.28 0.26 1.61 0.41 -1.26 -3.69 118.70 119.42 2wfx s GLU 561 Ca 0.00 2.29 -0.04 0.00 -0.41 0.00 0.00 54.97 56.81 2wfx s GLU 561 Cb 0.00 -3.10 -0.05 0.00 -1.78 0.00 0.00 34.13 29.20 2wfx s GLU 561 CO 0.00 -0.37 0.51 0.14 -0.49 0.00 0.00 175.26 175.05 2wfx s VAL 562 N -0.28 5.07 0.16 2.63 -7.23 -1.26 -1.33 120.40 118.17 2wfx s VAL 562 Ca 0.57 -0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.75 2wfx s VAL 562 Cb -0.41 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 32.76 2wfx s VAL 562 CO 0.46 -0.26 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.60 2wfx s TYR 563 N -2.01 1.31 -0.14 2.82 2.02 0.20 -2.23 117.35 119.33 2wfx s TYR 563 Ca 0.43 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2wfx s TYR 563 Cb -0.11 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.79 2wfx s TYR 563 CO 0.29 0.04 -0.12 0.42 -1.57 0.00 0.00 175.55 174.62 2wfx s ILE 564 N -3.36 1.38 -0.28 2.71 1.01 0.30 -1.01 121.20 121.95 2wfx s ILE 564 Ca 0.19 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 2wfx s ILE 564 Cb 0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2wfx s ILE 564 CO 0.02 0.42 0.37 -0.76 0.00 0.00 0.00 174.94 174.99 2wfx s LEU 565 N 1.56 4.07 0.21 2.97 1.43 0.23 -0.09 118.68 129.06 2wfx s LEU 565 Ca 0.05 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2wfx s LEU 565 Cb -0.13 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2wfx s LEU 565 CO -0.10 -0.20 -0.06 -0.94 0.23 0.00 0.00 176.35 175.29 2wfx s SER 566 N 1.65 2.06 0.58 2.29 1.04 -0.58 -0.22 113.70 120.52 2wfx s SER 566 Ca 0.15 -1.13 0.08 0.00 0.48 0.00 0.00 55.95 55.52 2wfx s SER 566 Cb -0.16 -0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.00 2wfx s SER 566 CO 0.10 -0.39 0.65 -0.55 0.98 0.00 0.00 173.24 174.03 2wfx s SER 567 N -3.29 4.83 0.59 7.02 0.15 0.18 -0.31 113.70 122.87 2wfx s SER 567 Ca 0.25 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.84 2wfx s SER 567 Cb 0.04 0.50 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 2wfx s SER 567 CO 0.07 -1.32 0.82 -0.89 1.20 0.00 0.00 173.24 173.11 2wfx s THR 574 N -2.76 2.46 -0.91 6.45 2.01 -1.26 -3.34 115.64 118.30 2wfx s THR 574 Ca 0.49 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 2wfx s THR 574 Cb -0.04 -2.73 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 2wfx s THR 574 CO 0.31 0.00 0.79 1.57 -0.69 0.00 0.00 174.62 176.61 2wfx n HIS 575 N -2.42 -2.13 -1.95 4.92 -0.00 -1.26 -4.95 115.22 107.43 2wfx n HIS 575 Ca 0.11 0.74 0.00 0.00 0.46 0.00 0.00 57.72 59.04 2wfx n HIS 575 Cb 0.60 -3.91 0.00 0.00 -0.12 0.00 0.00 29.99 26.56 2wfx n HIS 575 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2wfx n ASN 576 N -2.99 0.00 -4.59 0.26 0.23 0.30 -4.75 115.26 103.73 2wfx n ASN 576 Ca -0.06 -1.00 -0.36 0.00 -0.53 0.00 0.00 54.58 52.63 2wfx n ASN 576 Cb 0.60 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.38 2wfx n ASN 576 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wfx n GLY 577 N 0.00 -0.64 3.27 4.83 0.00 -0.19 -4.19 105.19 108.28 2wfx n GLY 577 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 2wfx n GLY 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfx s LYS 578 N -3.18 1.10 -0.17 1.61 1.02 0.57 -0.31 119.74 120.38 2wfx s LYS 578 Ca 0.72 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2wfx s LYS 578 Cb -0.35 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 2wfx s LYS 578 CO 0.51 0.17 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.79 2wfx s LEU 579 N -2.69 2.36 -0.08 3.17 2.96 -0.67 -1.52 118.68 122.22 2wfx s LEU 579 Ca 0.13 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2wfx s LEU 579 Cb -0.03 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 2wfx s LEU 579 CO 0.04 0.03 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.65 2wfx s TYR 580 N 1.11 2.75 -0.07 5.38 2.02 0.87 -0.17 117.35 129.24 2wfx s TYR 580 Ca 0.00 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 2wfx s TYR 580 Cb -0.14 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2wfx s TYR 580 CO -0.06 0.05 0.22 0.21 -1.57 0.00 0.00 175.55 174.40 2wfx s LYS 581 N -0.36 3.56 -0.25 -0.62 2.20 0.72 0.11 119.74 125.10 2wfx s LYS 581 Ca 0.04 -0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.49 2wfx s LYS 581 Cb -0.12 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2wfx s LYS 581 CO 0.02 0.74 0.32 0.42 -0.36 0.00 0.00 175.35 176.49 2wfx s ILE 582 N -1.10 5.23 0.05 5.43 1.01 -0.95 -0.97 121.20 129.91 2wfx s ILE 582 Ca 0.19 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.40 2wfx s ILE 582 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2wfx s ILE 582 CO 0.09 0.23 -0.19 0.68 0.00 0.00 0.00 174.94 175.74 2wfx s VAL 583 N 1.65 1.52 -0.34 2.92 -7.23 0.16 -4.67 120.40 114.40 2wfx s VAL 583 Ca 0.14 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.97 2wfx s VAL 583 Cb -0.15 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 2wfx s VAL 583 CO 0.09 0.12 0.38 -0.62 -0.31 0.00 0.00 175.10 174.76 2wfx s ASP 584 N -1.24 6.19 0.59 4.85 2.15 -1.26 -2.24 116.67 125.71 2wfx s ASP 584 Ca 0.06 -0.21 0.29 0.00 0.43 0.00 0.00 52.55 53.11 2wfx s ASP 584 Cb -0.09 -2.20 1.64 0.00 -0.30 0.00 0.00 42.92 41.97 2wfx s ASP 584 CO 0.02 -0.35 2.08 -0.65 -0.17 0.00 0.00 175.17 176.09 2wfx h PRO 585 N 8.46 0.00 0.00 4.34 0.11 -1.94 -0.26 132.00 142.72 2wfx h PRO 585 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2wfx h PRO 585 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wfx h PRO 585 CO 0.70 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.12 2wfx n LYS 586 N -3.79 0.87 -3.81 1.05 5.02 -1.26 -4.74 118.16 111.50 2wfx n LYS 586 Ca 0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 2wfx n LYS 586 Cb 0.36 -1.03 -0.08 0.00 -0.02 0.00 0.00 35.03 34.26 2wfx n LYS 586 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wfx s ARG 587 N -2.00 0.74 0.96 1.97 1.81 -0.11 -5.08 118.95 117.25 2wfx s ARG 587 Ca 0.03 -0.58 -0.11 0.00 -1.72 0.00 0.00 55.73 53.35 2wfx s ARG 587 Cb 0.01 0.31 0.17 0.00 -0.45 0.00 0.00 34.95 35.00 2wfx s ARG 587 CO 0.02 -0.23 1.10 -2.14 -0.68 0.00 0.00 175.30 173.38 2wfx s PRO 588 N -2.56 0.65 0.58 3.54 0.02 -1.26 -4.74 135.00 131.23 2wfx s PRO 588 Ca -0.05 1.26 0.35 0.00 0.02 0.00 0.00 61.00 62.58 2wfx s PRO 588 Cb -0.01 -1.71 1.77 0.00 0.02 0.00 0.00 34.50 34.57 2wfx s PRO 588 CO -0.04 -2.79 2.15 -0.07 -0.33 0.00 0.00 177.00 175.93 2wfx h LEU 589 N -1.97 0.00 -5.60 -5.54 3.38 -1.97 -3.35 115.31 100.27 2wfx h LEU 589 Ca -0.49 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.16 2wfx h LEU 589 Cb 1.28 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.78 2wfx h LEU 589 CO 0.46 0.04 -0.68 -0.32 0.09 0.00 0.00 178.44 178.03 2wfx s MET 590 N -4.04 0.99 0.38 1.13 0.00 -1.26 -5.02 119.30 111.48 2wfx s MET 590 Ca -0.02 -1.43 -0.25 0.00 0.00 0.00 0.00 55.69 53.98 2wfx s MET 590 Cb 0.12 -0.59 -0.12 0.00 0.00 0.00 0.00 34.83 34.25 2wfx s MET 590 CO 0.51 -1.34 1.01 -2.30 0.00 0.00 0.00 175.02 172.90 2wfx n PRO 591 N 3.00 1.37 0.01 4.11 -0.02 -1.26 -4.83 135.00 137.37 2wfx n PRO 591 Ca 0.22 0.49 0.20 0.00 -2.02 0.00 0.00 63.50 62.39 2wfx n PRO 591 Cb 0.53 -1.99 0.69 0.00 -0.02 0.00 0.00 33.50 32.71 2wfx n PRO 591 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wfx h GLU 592 N 1.68 0.00 0.00 -0.52 3.07 -1.99 0.22 114.58 117.05 2wfx h GLU 592 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2wfx h GLU 592 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2wfx h GLU 592 CO 0.58 0.00 0.00 -0.85 -1.40 0.00 0.00 179.01 177.34 2wfx n GLU 593 N -4.36 0.21 0.00 2.33 0.28 -1.26 -2.97 120.64 114.87 2wfx n GLU 593 Ca 0.09 0.22 0.12 0.00 -0.16 0.00 0.00 57.16 57.43 2wfx n GLU 593 Cb 0.60 -1.76 0.24 0.00 1.43 0.00 0.00 31.44 31.94 2wfx n GLU 593 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wfx s ARG 595 N -2.78 2.86 -0.30 0.00 0.52 -1.16 -4.99 118.95 113.11 2wfx s ARG 595 Ca 0.16 1.60 -0.06 0.00 -0.52 0.00 0.00 55.73 56.92 2wfx s ARG 595 Cb 0.18 -1.94 0.19 0.00 0.52 0.00 0.00 34.95 33.90 2wfx s ARG 595 CO 0.64 -1.24 0.80 0.00 0.02 0.00 0.00 175.30 175.52 2wfx s ALA 596 N -1.97 -2.84 0.24 2.13 0.00 -1.26 -5.10 121.76 112.95 2wfx s ALA 596 Ca 0.72 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.98 2wfx s ALA 596 Cb -0.25 -2.37 -0.15 0.00 0.00 0.00 0.00 23.12 20.35 2wfx s ALA 596 CO 0.37 -1.47 0.83 2.41 0.00 0.00 0.00 175.76 177.89 2wfx n THR 597 N 5.43 1.87 -3.10 0.00 -1.04 -1.26 -4.89 114.28 111.29 2wfx n THR 597 Ca -0.02 -0.47 -0.40 0.00 -2.04 0.00 0.00 64.05 61.12 2wfx n THR 597 Cb 0.53 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 2wfx n THR 597 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wfx s VAL 598 N -0.95 4.99 -0.46 12.58 1.01 -1.26 -4.98 120.40 131.33 2wfx s VAL 598 Ca 0.62 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 2wfx s VAL 598 Cb -0.82 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 31.73 2wfx s VAL 598 CO 0.58 0.06 0.33 -1.10 0.00 0.00 0.00 175.10 174.97 2wfx s GLN 599 N 2.24 2.46 0.53 2.72 1.11 0.14 -4.99 119.66 123.87 2wfx s GLN 599 Ca 0.28 -1.74 -0.20 0.00 0.01 0.00 0.00 55.36 53.71 2wfx s GLN 599 Cb -0.16 -3.89 -0.08 0.00 -1.01 0.00 0.00 33.01 27.87 2wfx s GLN 599 CO 0.09 -1.16 0.75 -2.30 0.01 0.00 0.00 175.29 172.68 2wfx n PRO 600 N 4.89 0.80 -1.86 2.91 -0.02 -1.26 -1.98 135.00 138.48 2wfx n PRO 600 Ca -0.08 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2wfx n PRO 600 Cb 0.41 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 2wfx n PRO 600 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wfx s ALA 601 N -1.54 3.70 0.19 3.55 0.00 -1.26 -4.82 121.76 121.58 2wfx s ALA 601 Ca 0.69 1.49 0.10 0.00 0.00 0.00 0.00 51.96 54.23 2wfx s ALA 601 Cb -0.48 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2wfx s ALA 601 CO 0.53 -0.91 -0.13 -0.65 0.00 0.00 0.00 175.76 174.61 2wfx s GLN 602 N -0.57 1.94 0.31 0.00 -1.52 -1.26 -4.86 119.66 113.70 2wfx s GLN 602 Ca 0.61 -1.35 -0.29 0.00 -1.95 0.00 0.00 55.36 52.37 2wfx s GLN 602 Cb -0.46 -2.08 -0.12 0.00 -0.22 0.00 0.00 33.01 30.14 2wfx s GLN 602 CO 0.47 0.42 1.48 2.41 -0.25 0.00 0.00 175.29 179.83 2wfx n THR 603 N 0.01 1.39 -1.55 -0.19 -1.04 -1.26 -4.85 114.28 106.80 2wfx n THR 603 Ca -0.11 -0.35 -0.40 0.00 -2.04 0.00 0.00 64.05 61.15 2wfx n THR 603 Cb 0.56 -1.81 0.02 0.00 -1.82 0.00 0.00 70.33 67.28 2wfx n THR 603 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wfx n LEU 604 N 1.54 1.79 0.00 -4.42 4.32 -1.26 -4.92 117.00 114.05 2wfx n LEU 604 Ca 0.07 0.91 0.00 0.00 -0.02 0.00 0.00 56.01 56.97 2wfx n LEU 604 Cb 0.36 -1.27 0.00 0.00 -1.62 0.00 0.00 43.42 40.89 2wfx n LEU 604 CO 0.63 -2.18 -0.04 0.35 -1.22 0.00 0.00 177.39 174.93 2wfx n THR 605 N -1.01 0.00 -1.43 -5.08 -2.24 -1.26 -4.92 114.28 98.34 2wfx n THR 605 Ca 0.11 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 2wfx n THR 605 Cb 0.42 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2wfx n THR 605 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wfx n SER 606 N -0.48 -1.20 -0.23 3.42 3.41 -1.26 -4.62 113.62 112.66 2wfx n SER 606 Ca 0.00 0.90 0.03 0.00 -0.26 0.00 0.00 58.87 59.54 2wfx n SER 606 Cb 0.00 -1.07 0.15 0.00 -0.26 0.00 0.00 64.21 63.02 2wfx n SER 606 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wfx h GLU 607 N 0.73 0.33 0.79 4.33 4.81 -1.97 -0.52 114.58 123.08 2wfx h GLU 607 Ca -0.39 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2wfx h GLU 607 Cb 1.41 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 2wfx h GLU 607 CO 0.51 0.22 -0.50 0.00 -0.73 0.00 0.00 179.01 178.51 2wfx n SER 609 N -5.63 0.00 -0.00 0.00 3.41 -0.99 -1.17 113.62 109.24 2wfx n SER 609 Ca -0.15 0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.59 2wfx n SER 609 Cb 0.51 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 2wfx n SER 609 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wfx n ARG 610 N -1.39 0.75 -2.69 4.33 0.63 -0.24 -4.69 116.66 113.37 2wfx n ARG 610 Ca 0.02 0.27 -0.08 0.00 -0.92 0.00 0.00 57.85 57.14 2wfx n ARG 610 Cb 0.06 -1.70 0.04 0.00 0.45 0.00 0.00 32.46 31.31 2wfx n ARG 610 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2wfx n LEU 611 N -3.51 1.02 -4.11 6.15 -0.00 -0.79 -5.04 117.00 110.72 2wfx n LEU 611 Ca -0.32 -3.59 -0.35 0.00 -0.00 0.00 0.00 56.01 51.74 2wfx n LEU 611 Cb 1.04 0.38 -0.13 0.00 -0.00 0.00 0.00 43.42 44.71 2wfx n LEU 611 CO 0.42 1.54 -0.23 0.00 -0.00 0.00 0.00 177.39 179.12 2wfx s ARG 613 N 1.11 2.64 -0.88 0.00 0.52 -1.24 -4.76 118.95 116.35 2wfx s ARG 613 Ca 0.06 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 2wfx s ARG 613 Cb -0.22 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2wfx s ARG 613 CO -0.04 0.48 0.79 0.09 0.02 0.00 0.00 175.30 176.64 2wfx n ASN 614 N -0.10 -7.23 0.00 0.23 5.03 -1.26 -4.45 115.26 107.48 2wfx n ASN 614 Ca -0.09 -0.38 0.00 0.00 0.87 0.00 0.00 54.58 54.98 2wfx n ASN 614 Cb 0.54 -5.18 0.00 0.00 -1.02 0.00 0.00 39.78 34.12 2wfx n ASN 614 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wfx n GLY 615 N -1.54 2.28 3.90 7.41 0.00 -1.26 -2.30 105.19 113.69 2wfx n GLY 615 Ca -0.04 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 2wfx n GLY 615 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wfx s TYR 616 N -1.70 1.78 -0.16 1.61 -0.85 -1.01 -4.92 117.35 112.10 2wfx s TYR 616 Ca 0.00 -0.78 -0.02 0.00 -0.52 0.00 0.00 57.07 55.75 2wfx s TYR 616 Cb 0.00 -1.97 -0.01 0.00 0.38 0.00 0.00 41.96 40.35 2wfx s TYR 616 CO 0.00 -0.46 -0.09 0.00 -1.52 0.00 0.00 175.55 173.48 2wfx s THR 618 N 0.73 3.78 -0.42 0.00 -4.23 0.60 -4.90 115.64 111.20 2wfx s THR 618 Ca -0.04 0.71 0.12 0.00 -1.18 0.00 0.00 61.69 61.30 2wfx s THR 618 Cb -0.15 -3.30 0.12 0.00 1.34 0.00 0.00 72.50 70.51 2wfx s THR 618 CO 0.02 -0.63 1.33 -2.65 -0.54 0.00 0.00 174.62 172.16 2wfx n PRO 619 N -2.65 0.08 -0.63 3.99 -0.02 -1.26 -0.47 135.00 134.04 2wfx n PRO 619 Ca 0.08 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 2wfx n PRO 619 Cb 0.53 -1.83 0.32 0.00 -0.02 0.00 0.00 33.50 32.50 2wfx n PRO 619 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wfx n THR 620 N -1.92 1.88 -1.02 3.45 -2.24 -1.26 -4.84 114.28 108.32 2wfx n THR 620 Ca -0.01 -1.07 -0.01 0.00 -2.27 0.00 0.00 64.05 60.69 2wfx n THR 620 Cb 0.09 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2wfx n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wfx n GLY 621 N 0.82 0.46 3.79 3.38 0.00 0.38 -5.01 105.19 108.99 2wfx n GLY 621 Ca 0.23 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2wfx n GLY 621 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wfx s LYS 622 N -0.79 4.25 -0.63 1.61 2.20 -1.24 -4.41 119.74 120.73 2wfx s LYS 622 Ca 0.00 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.13 2wfx s LYS 622 Cb 0.00 -3.29 0.10 0.00 -1.51 0.00 0.00 37.83 33.13 2wfx s LYS 622 CO 0.00 0.49 0.78 0.00 -0.36 0.00 0.00 175.35 176.27 2wfx s SER 626 N -0.46 6.08 -0.28 0.00 1.04 -0.97 -4.92 113.70 114.19 2wfx s SER 626 Ca 0.37 1.54 -0.39 0.00 0.48 0.00 0.00 55.95 57.95 2wfx s SER 626 Cb -0.21 -2.49 -0.15 0.00 0.10 0.00 0.00 66.02 63.26 2wfx s SER 626 CO 0.24 -0.97 1.80 -2.65 0.98 0.00 0.00 173.24 172.64 2wfx n PRO 627 N -2.49 1.22 0.00 4.02 -0.02 -1.26 -2.29 135.00 134.18 2wfx n PRO 627 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2wfx n PRO 627 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2wfx n PRO 627 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wfx n GLY 628 N 4.47 1.33 3.24 -1.23 0.00 -1.26 -5.10 105.19 106.63 2wfx n GLY 628 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 2wfx n GLY 628 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wfx s TRP 629 N -2.00 -0.14 0.32 1.61 0.52 -0.97 -2.74 118.94 115.55 2wfx s TRP 629 Ca 0.00 0.13 -0.05 0.00 0.02 0.00 0.00 56.10 56.20 2wfx s TRP 629 Cb 0.00 0.09 0.00 0.00 -1.15 0.00 0.00 33.47 32.41 2wfx s TRP 629 CO 0.00 -0.43 0.47 -1.83 0.02 0.00 0.00 176.95 175.18 2wfx s GLU 630 N -1.81 1.83 0.00 4.98 -1.05 -0.61 -4.69 118.70 117.35 2wfx s GLU 630 Ca -0.10 -1.66 0.00 0.00 -0.15 0.00 0.00 54.97 53.06 2wfx s GLU 630 Cb -0.04 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 2wfx s GLU 630 CO 0.01 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 175.87 2wfx n GLY 631 N -0.52 1.06 0.42 -3.83 0.00 -1.26 -2.15 105.19 98.91 2wfx n GLY 631 Ca 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 2wfx n GLY 631 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wfx h ASP 632 N 0.00 -1.89 -0.35 1.61 5.19 -2.00 -2.36 116.42 116.61 2wfx h ASP 632 Ca 0.00 0.30 -0.21 0.00 -0.62 0.00 0.00 57.03 56.49 2wfx h ASP 632 Cb 0.00 0.84 -0.13 0.00 0.18 0.00 0.00 39.33 40.22 2wfx h ASP 632 CO 0.00 -0.29 -0.22 0.49 -3.12 0.00 0.00 179.24 176.10 2wfx n PHE 633 N -5.33 1.15 -3.60 4.55 3.72 -1.26 -4.44 117.46 112.24 2wfx n PHE 633 Ca 0.02 -1.73 -0.22 0.00 -0.05 0.00 0.00 57.45 55.47 2wfx n PHE 633 Cb 0.31 -0.47 0.04 0.00 -0.94 0.00 0.00 39.48 38.43 2wfx n PHE 633 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wfx n ARG 635 N -4.08 1.70 -1.97 0.00 5.12 -1.03 -4.67 116.66 111.73 2wfx n ARG 635 Ca -0.23 0.02 -0.43 0.00 -1.93 0.00 0.00 57.85 55.28 2wfx n ARG 635 Cb 0.65 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.64 2wfx n ARG 635 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2wfx s THR 636 N -2.27 3.47 0.55 0.55 2.01 -0.91 -4.91 115.64 114.12 2wfx s THR 636 Ca -0.09 0.51 -0.21 0.00 0.31 0.00 0.00 61.69 62.21 2wfx s THR 636 Cb 0.04 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2wfx s THR 636 CO 0.42 -0.28 1.29 0.00 -0.69 0.00 0.00 174.62 175.36 2wfx s ALA 637 N 6.16 2.76 0.04 7.40 0.00 -1.26 -1.57 121.76 135.28 2wfx s ALA 637 Ca 0.80 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.89 2wfx s ALA 637 Cb -0.26 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 2wfx s ALA 637 CO 0.33 -1.22 0.27 0.21 0.00 0.00 0.00 175.76 175.35 2wfx s LYS 638 N -2.98 3.55 0.05 0.00 2.47 -1.11 -4.74 119.74 116.98 2wfx s LYS 638 Ca 0.72 -0.15 0.08 0.00 -1.56 0.00 0.00 55.97 55.06 2wfx s LYS 638 Cb -0.36 -3.04 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 2wfx s LYS 638 CO 0.42 0.62 -0.22 0.00 0.16 0.00 0.00 175.35 176.32 2wfx s GLU 640 N -1.24 0.26 0.56 0.00 2.56 -1.26 -1.78 118.70 117.80 2wfx s GLU 640 Ca 0.08 -0.19 -0.19 0.00 0.00 0.00 0.00 54.97 54.66 2wfx s GLU 640 Cb -0.09 -0.91 -0.05 0.00 2.00 0.00 0.00 34.13 35.08 2wfx s GLU 640 CO 0.02 -0.96 1.18 -2.14 -0.56 0.00 0.00 175.26 172.81 2wfx s PRO 641 N 2.28 3.18 0.85 4.30 0.02 -1.26 -4.94 135.00 139.43 2wfx s PRO 641 Ca 0.09 1.77 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 2wfx s PRO 641 Cb -0.15 -2.01 0.11 0.00 0.02 0.00 0.00 34.50 32.47 2wfx s PRO 641 CO -0.30 -1.03 1.13 0.00 -0.33 0.00 0.00 177.00 176.47 2wfx s ALA 642 N -1.63 1.78 0.38 -1.55 0.00 -0.73 -4.89 121.76 115.11 2wfx s ALA 642 Ca 0.74 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 2wfx s ALA 642 Cb -0.28 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2wfx s ALA 642 CO 0.32 -2.37 1.16 0.00 0.00 0.00 0.00 175.76 174.87 2wfx n ARG 644 N 0.28 0.00 -1.74 0.00 5.12 -1.09 -4.85 116.66 114.37 2wfx n ARG 644 Ca 0.03 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.55 2wfx n ARG 644 Cb 0.46 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.73 2wfx n ARG 644 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2wfx s HIS 645 N 0.52 1.34 -0.22 -1.55 2.46 -1.26 -4.73 115.29 111.85 2wfx s HIS 645 Ca 0.00 0.97 -0.05 0.00 0.47 0.00 0.00 55.06 56.45 2wfx s HIS 645 Cb 0.00 -3.87 -0.06 0.00 -0.13 0.00 0.00 32.58 28.52 2wfx s HIS 645 CO 0.00 -3.00 0.54 0.41 -2.47 0.00 0.00 174.74 170.22 2wfx n GLY 646 N 5.77 -0.11 0.00 1.59 0.00 -1.26 -4.73 105.19 106.45 2wfx n GLY 646 Ca 0.29 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2wfx n GLY 646 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wfx n GLY 647 N 1.34 1.72 3.57 -0.02 0.00 -1.07 -4.86 105.19 105.87 2wfx n GLY 647 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2wfx n GLY 647 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfx s VAL 648 N -2.00 4.35 0.17 1.61 0.11 -1.23 -4.69 120.40 118.71 2wfx s VAL 648 Ca 0.00 0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 59.55 2wfx s VAL 648 Cb 0.00 -4.52 -0.07 0.00 -1.53 0.00 0.00 36.38 30.25 2wfx s VAL 648 CO 0.00 -0.98 1.05 0.00 -3.33 0.00 0.00 175.10 171.84 2wfx n VAL 650 N 2.38 0.00 -1.05 0.00 0.31 -1.23 -4.33 118.33 114.41 2wfx n VAL 650 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.06 2wfx n VAL 650 Cb 0.47 -0.01 0.17 0.00 -0.91 0.00 0.00 33.84 33.55 2wfx n VAL 650 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wfx s ARG 651 N 0.00 0.73 -0.69 5.55 3.00 -1.26 -4.79 118.95 121.49 2wfx s ARG 651 Ca 0.00 0.83 -0.37 0.00 0.00 0.00 0.00 55.73 56.19 2wfx s ARG 651 Cb 0.00 -1.75 -0.19 0.00 0.00 0.00 0.00 34.95 33.01 2wfx s ARG 651 CO 0.00 -2.61 2.39 -2.30 0.00 0.00 0.00 175.30 172.78 2wfx n PRO 652 N -4.14 0.14 -3.08 3.54 -0.02 -1.26 -1.15 135.00 129.03 2wfx n PRO 652 Ca 0.06 0.03 -0.19 0.00 -2.02 0.00 0.00 63.50 61.38 2wfx n PRO 652 Cb 0.55 -1.67 -0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2wfx n PRO 652 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wfx n ASN 653 N 9.29 -3.59 -4.04 2.55 4.13 -1.26 -4.92 115.26 117.42 2wfx n ASN 653 Ca 0.58 -0.19 -0.34 0.00 1.68 0.00 0.00 54.58 56.31 2wfx n ASN 653 Cb 0.04 -3.01 -0.12 0.00 -1.54 0.00 0.00 39.78 35.15 2wfx n ASN 653 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2wfx s LYS 654 N -5.70 2.19 0.99 3.52 2.20 -0.30 -4.81 119.74 117.82 2wfx s LYS 654 Ca 0.27 -2.42 -0.11 0.00 -0.36 0.00 0.00 55.97 53.35 2wfx s LYS 654 Cb -0.14 -3.52 0.18 0.00 -1.51 0.00 0.00 37.83 32.84 2wfx s LYS 654 CO 0.34 -1.12 1.09 0.00 -0.36 0.00 0.00 175.35 175.30 2wfx s LEU 656 N -6.70 2.63 0.00 0.00 2.96 -1.11 -4.92 118.68 111.54 2wfx s LEU 656 Ca 0.66 -2.62 0.00 0.00 -0.22 0.00 0.00 54.13 51.95 2wfx s LEU 656 Cb -0.22 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2wfx s LEU 656 CO 0.60 -0.27 0.00 0.00 -1.32 0.00 0.00 176.35 175.36 2wfx n TYR 661 N 0.00 -3.15 -4.16 0.00 0.18 -1.26 -4.91 117.16 103.85 2wfx n TYR 661 Ca 0.00 1.74 -0.12 0.00 1.88 0.00 0.00 57.90 61.40 2wfx n TYR 661 Cb 0.00 -2.85 -0.08 0.00 -0.38 0.00 0.00 39.34 36.02 2wfx n TYR 661 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2wfx s LEU 662 N -6.38 1.04 0.00 -3.48 1.43 -1.26 -4.93 118.68 105.10 2wfx s LEU 662 Ca 0.00 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 2wfx s LEU 662 Cb 0.00 0.77 0.00 0.00 0.03 0.00 0.00 46.19 46.99 2wfx s LEU 662 CO 0.00 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.23 2wfx n GLY 663 N -0.36 2.04 0.24 -3.19 0.00 -1.26 -1.36 105.19 101.30 2wfx n GLY 663 Ca 0.02 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.93 2wfx n GLY 663 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wfx h PRO 664 N 0.00 0.38 0.00 1.61 0.11 -1.98 -3.14 132.00 128.98 2wfx h PRO 664 Ca 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2wfx h PRO 664 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2wfx h PRO 664 CO 0.00 0.54 -0.05 1.04 -0.21 0.00 0.00 178.00 179.32 2wfx n GLN 665 N -4.20 1.60 -0.38 1.05 3.00 -1.26 -3.46 117.38 113.73 2wfx n GLN 665 Ca -0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 2wfx n GLN 665 Cb 0.33 -1.18 0.00 0.00 0.00 0.00 0.00 30.24 29.38 2wfx n GLN 665 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06