#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg3 s PHE 217 N -3.11 2.90 0.18 0.00 0.08 -0.42 -4.50 117.98 113.10 2wg3 s PHE 217 Ca 0.56 -0.28 0.08 0.00 0.12 0.00 0.00 56.93 57.41 2wg3 s PHE 217 Cb -0.11 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2wg3 s PHE 217 CO 0.46 0.29 -0.16 0.00 -0.10 0.00 0.00 175.22 175.71 2wg3 s ILE 219 N -2.38 3.39 -0.22 0.00 -4.36 -1.23 -0.42 121.20 115.98 2wg3 s ILE 219 Ca 0.17 -0.50 -0.07 0.00 -0.26 0.00 0.00 60.65 59.99 2wg3 s ILE 219 Cb -0.04 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2wg3 s ILE 219 CO 0.06 0.45 0.06 -1.58 0.24 0.00 0.00 174.94 174.17 2wg3 s GLN 220 N 1.17 3.74 0.32 0.37 0.74 -0.44 -3.73 119.66 121.83 2wg3 s GLN 220 Ca 0.02 -0.45 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 2wg3 s GLN 220 Cb -0.14 -3.26 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 2wg3 s GLN 220 CO -0.01 -0.03 1.27 -2.00 -0.55 0.00 0.00 175.29 173.97 2wg3 s GLU 221 N 1.17 4.41 -0.07 1.67 2.12 -1.26 0.01 118.70 126.75 2wg3 s GLU 221 Ca 0.04 2.14 -0.04 0.00 0.36 0.00 0.00 54.97 57.47 2wg3 s GLU 221 Cb -0.14 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 2wg3 s GLU 221 CO 0.03 -0.12 -0.11 0.28 -0.54 0.00 0.00 175.26 174.80 2wg3 n VAL 222 N 0.92 0.60 -4.08 3.70 0.31 0.12 -4.86 118.33 115.03 2wg3 n VAL 222 Ca -0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 2wg3 n VAL 222 Cb 0.42 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.63 2wg3 n VAL 222 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wg3 s VAL 223 N -2.17 0.02 0.07 2.52 -7.23 -1.22 -5.00 120.40 107.39 2wg3 s VAL 223 Ca -0.11 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2wg3 s VAL 223 Cb 0.04 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 2wg3 s VAL 223 CO 0.14 -0.08 0.05 -1.54 -0.31 0.00 0.00 175.10 173.36 2wg3 n SER 224 N -0.29 0.18 -0.10 4.85 3.41 -1.26 -1.31 113.62 119.10 2wg3 n SER 224 Ca -0.01 -1.43 -0.01 0.00 -0.26 0.00 0.00 58.87 57.15 2wg3 n SER 224 Cb 0.64 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.88 2wg3 n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wg3 n GLY 225 N 0.40 0.49 3.77 5.00 0.00 -1.03 -4.92 105.19 108.91 2wg3 n GLY 225 Ca 0.01 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2wg3 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wg3 s LEU 226 N -0.31 4.32 -0.51 0.99 1.43 -0.75 -4.68 118.68 119.17 2wg3 s LEU 226 Ca 0.00 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 2wg3 s LEU 226 Cb 0.00 -3.97 0.11 0.00 0.03 0.00 0.00 46.19 42.35 2wg3 s LEU 226 CO 0.00 -0.28 0.45 -0.60 0.23 0.00 0.00 176.35 176.15 2wg3 s ARG 227 N -2.06 2.95 -1.23 1.70 6.06 -1.26 -1.09 118.95 124.02 2wg3 s ARG 227 Ca 0.52 -1.58 -0.14 0.00 -2.50 0.00 0.00 55.73 52.03 2wg3 s ARG 227 Cb -0.24 -4.20 -0.00 0.00 0.06 0.00 0.00 34.95 30.56 2wg3 s ARG 227 CO 0.30 -1.20 0.67 1.04 -2.50 0.00 0.00 175.30 173.62 2wg3 n GLN 228 N 5.20 -2.05 -2.43 5.12 6.02 -0.92 -4.40 117.38 123.92 2wg3 n GLN 228 Ca -0.13 0.44 -0.41 0.00 -0.01 0.00 0.00 57.00 56.88 2wg3 n GLN 228 Cb 0.41 -4.26 -0.03 0.00 1.02 0.00 0.00 30.24 27.38 2wg3 n GLN 228 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wg3 s PRO 229 N -6.20 4.50 -0.03 -1.09 0.04 -1.26 -0.80 135.00 130.15 2wg3 s PRO 229 Ca 0.30 1.80 0.11 0.00 0.04 0.00 0.00 61.00 63.25 2wg3 s PRO 229 Cb -0.11 -3.29 -0.16 0.00 0.04 0.00 0.00 34.50 30.98 2wg3 s PRO 229 CO 0.87 -0.10 0.20 1.33 0.04 0.00 0.00 177.00 179.34 2wg3 n VAL 230 N 2.94 0.15 -3.66 -0.36 0.24 0.12 -4.72 118.33 113.04 2wg3 n VAL 230 Ca 0.05 -0.29 -0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2wg3 n VAL 230 Cb 0.46 0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.86 2wg3 n VAL 230 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wg3 s GLY 231 N -3.49 -0.35 0.01 7.63 0.00 -1.23 -4.28 107.32 105.60 2wg3 s GLY 231 Ca -0.04 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.25 2wg3 s GLY 231 CO 0.45 0.10 -0.05 0.00 0.00 0.00 0.00 173.10 173.61 2wg3 s ALA 232 N -2.71 0.36 -0.11 3.20 0.00 -0.71 -0.06 121.76 121.73 2wg3 s ALA 232 Ca 0.13 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 2wg3 s ALA 232 Cb 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.18 2wg3 s ALA 232 CO -0.02 0.03 0.63 -1.17 0.00 0.00 0.00 175.76 175.23 2wg3 s LEU 233 N -0.60 -0.42 0.31 0.00 2.96 -0.67 -2.42 118.68 117.84 2wg3 s LEU 233 Ca -0.03 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.80 2wg3 s LEU 233 Cb -0.04 2.28 -0.03 0.00 0.50 0.00 0.00 46.19 48.90 2wg3 s LEU 233 CO -0.00 -0.46 0.27 -1.38 -1.32 0.00 0.00 176.35 173.46 2wg3 s HIS 234 N -0.68 2.98 -1.30 5.38 -3.43 -1.17 0.35 115.29 117.42 2wg3 s HIS 234 Ca -0.08 -0.24 0.14 0.00 -0.80 0.00 0.00 55.06 54.08 2wg3 s HIS 234 Cb -0.02 -1.68 0.32 0.00 -1.43 0.00 0.00 32.58 29.77 2wg3 s HIS 234 CO 0.06 0.28 1.24 -1.13 -2.00 0.00 0.00 174.74 173.19 2wg3 n SER 235 N -1.32 2.94 -3.69 7.38 3.41 -1.26 -4.83 113.62 116.24 2wg3 n SER 235 Ca -0.04 -1.91 -0.26 0.00 -0.26 0.00 0.00 58.87 56.40 2wg3 n SER 235 Cb 0.59 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.37 2wg3 n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wg3 n GLY 236 N 0.78 -0.53 0.35 5.00 0.00 -1.26 -4.73 105.19 104.81 2wg3 n GLY 236 Ca 0.13 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.45 2wg3 n GLY 236 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wg3 n ASP 237 N -2.90 1.77 0.00 1.61 5.75 -1.26 -4.72 116.55 116.80 2wg3 n ASP 237 Ca 0.02 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 2wg3 n ASP 237 Cb 0.55 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2wg3 n ASP 237 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg3 n GLY 238 N -1.04 1.86 0.20 6.12 0.00 -1.26 -4.83 105.19 106.25 2wg3 n GLY 238 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2wg3 n GLY 238 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wg3 h SER 239 N 0.00 0.00 -0.56 1.61 4.64 -1.90 -2.48 113.55 114.85 2wg3 h SER 239 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2wg3 h SER 239 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 2wg3 h SER 239 CO 0.00 0.33 -0.22 0.00 -0.87 0.00 0.00 176.83 176.07 2wg3 n GLN 240 N -3.54 -0.96 -2.32 4.77 6.02 -1.26 -4.50 117.38 115.59 2wg3 n GLN 240 Ca -0.00 0.90 -0.37 0.00 -0.01 0.00 0.00 57.00 57.51 2wg3 n GLN 240 Cb 0.47 -4.95 -0.02 0.00 1.02 0.00 0.00 30.24 26.77 2wg3 n GLN 240 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wg3 s ARG 241 N -2.92 3.94 -0.09 -1.09 0.52 -1.26 -4.24 118.95 113.80 2wg3 s ARG 241 Ca 0.00 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 2wg3 s ARG 241 Cb 0.00 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 2wg3 s ARG 241 CO 0.00 -0.39 -0.09 -1.17 0.02 0.00 0.00 175.30 173.67 2wg3 s LEU 242 N -2.76 2.99 -0.36 2.53 2.96 0.00 -4.44 118.68 119.60 2wg3 s LEU 242 Ca 0.60 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.32 2wg3 s LEU 242 Cb -0.28 -1.66 0.07 0.00 0.50 0.00 0.00 46.19 44.82 2wg3 s LEU 242 CO 0.35 0.28 0.12 -0.36 -1.32 0.00 0.00 176.35 175.42 2wg3 s PHE 243 N -0.34 3.35 -0.22 5.38 0.40 0.16 0.23 117.98 126.94 2wg3 s PHE 243 Ca 0.04 -1.81 -0.18 0.00 -0.60 0.00 0.00 56.93 54.38 2wg3 s PHE 243 Cb -0.13 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 2wg3 s PHE 243 CO 0.02 -0.83 0.50 0.42 0.70 0.00 0.00 175.22 176.03 2wg3 s ILE 244 N 1.30 5.11 -0.01 0.64 1.01 0.89 -1.67 121.20 128.47 2wg3 s ILE 244 Ca 0.00 0.89 -0.23 0.00 0.00 0.00 0.00 60.65 61.31 2wg3 s ILE 244 Cb -0.21 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2wg3 s ILE 244 CO -0.00 0.16 0.71 -0.76 0.00 0.00 0.00 174.94 175.04 2wg3 s LEU 245 N 1.83 4.39 -0.14 2.97 1.02 0.91 -1.17 118.68 128.50 2wg3 s LEU 245 Ca 0.22 1.29 0.02 0.00 0.02 0.00 0.00 54.13 55.68 2wg3 s LEU 245 Cb -0.15 -3.11 0.01 0.00 0.02 0.00 0.00 46.19 42.96 2wg3 s LEU 245 CO 0.09 -0.02 -0.20 -1.61 0.02 0.00 0.00 176.35 174.63 2wg3 s GLU 246 N 0.25 2.82 0.43 1.70 2.02 -0.40 0.10 118.70 125.62 2wg3 s GLU 246 Ca 0.37 -0.78 0.29 0.00 0.02 0.00 0.00 54.97 54.87 2wg3 s GLU 246 Cb -0.19 -2.32 1.43 0.00 0.10 0.00 0.00 34.13 33.15 2wg3 s GLU 246 CO 0.20 -0.05 1.60 -0.22 0.02 0.00 0.00 175.26 176.81 2wg3 h LYS 247 N 7.44 0.05 0.00 1.61 3.64 -1.18 0.24 116.57 128.38 2wg3 h LYS 247 Ca -0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2wg3 h LYS 247 Cb 1.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wg3 h LYS 247 CO 0.55 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 178.15 2wg3 n GLU 248 N -4.79 0.06 0.00 1.90 1.02 -1.26 -0.23 120.64 117.33 2wg3 n GLU 248 Ca 0.38 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 2wg3 n GLU 248 Cb 1.45 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 2wg3 n GLU 248 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wg3 n GLY 249 N 0.13 0.95 3.28 0.62 0.00 0.84 -4.31 105.19 106.70 2wg3 n GLY 249 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2wg3 n GLY 249 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wg3 s TYR 250 N -1.82 1.89 -0.16 1.61 2.02 -1.15 -1.47 117.35 118.26 2wg3 s TYR 250 Ca 0.00 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2wg3 s TYR 250 Cb 0.00 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2wg3 s TYR 250 CO 0.00 0.14 -0.12 0.08 -1.57 0.00 0.00 175.55 174.08 2wg3 s VAL 251 N -0.91 2.93 -0.08 0.71 1.01 -0.32 -1.27 120.40 122.47 2wg3 s VAL 251 Ca 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2wg3 s VAL 251 Cb -0.09 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2wg3 s VAL 251 CO 0.03 0.50 -0.11 -0.54 0.00 0.00 0.00 175.10 174.98 2wg3 s LYS 252 N 0.84 2.84 -0.25 2.72 -0.14 -0.32 0.30 119.74 125.74 2wg3 s LYS 252 Ca -0.04 -0.63 -0.20 0.00 -1.36 0.00 0.00 55.97 53.74 2wg3 s LYS 252 Cb -0.15 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.44 2wg3 s LYS 252 CO 0.00 0.53 0.62 0.42 -0.76 0.00 0.00 175.35 176.16 2wg3 s ILE 253 N -0.47 4.99 -0.26 2.17 1.01 -1.26 -0.08 121.20 127.30 2wg3 s ILE 253 Ca 0.06 1.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 2wg3 s ILE 253 Cb -0.12 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2wg3 s ILE 253 CO 0.02 0.04 0.20 -0.22 0.00 0.00 0.00 174.94 174.98 2wg3 s LEU 254 N 2.44 4.07 0.62 2.97 2.96 0.13 -1.88 118.68 129.99 2wg3 s LEU 254 Ca 0.26 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 2wg3 s LEU 254 Cb -0.16 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 2wg3 s LEU 254 CO 0.09 -0.01 0.98 0.42 -1.32 0.00 0.00 176.35 176.50 2wg3 s THR 255 N 1.46 4.09 0.53 3.68 -4.23 -0.72 -0.82 115.64 119.64 2wg3 s THR 255 Ca 0.08 0.41 0.37 0.00 -1.18 0.00 0.00 61.69 61.37 2wg3 s THR 255 Cb -0.15 -3.64 0.39 0.00 1.34 0.00 0.00 72.50 70.44 2wg3 s THR 255 CO 0.08 -0.76 2.25 -0.65 -0.54 0.00 0.00 174.62 175.00 2wg3 h PRO 256 N -0.29 0.00 0.00 3.99 0.11 -1.88 -2.56 132.00 131.36 2wg3 h PRO 256 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wg3 h PRO 256 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wg3 h PRO 256 CO 0.62 0.02 -0.31 0.93 -0.21 0.00 0.00 178.00 179.06 2wg3 h GLU 257 N 0.00 0.00 0.00 1.05 3.07 -1.95 -3.48 114.58 113.27 2wg3 h GLU 257 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wg3 h GLU 257 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2wg3 h GLU 257 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2wg3 n GLY 258 N 1.13 0.70 3.90 -3.84 0.00 -0.96 -5.13 105.19 100.99 2wg3 n GLY 258 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wg3 n GLY 258 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wg3 s GLU 259 N 0.00 3.50 0.02 1.61 1.03 -1.26 -4.83 118.70 118.77 2wg3 s GLU 259 Ca 0.00 -0.21 -0.21 0.00 0.03 0.00 0.00 54.97 54.59 2wg3 s GLU 259 Cb 0.00 -3.08 -0.06 0.00 -0.80 0.00 0.00 34.13 30.19 2wg3 s GLU 259 CO 0.00 0.66 0.60 0.42 -1.33 0.00 0.00 175.26 175.61 2wg3 s ILE 260 N -1.33 4.85 0.05 1.83 -1.09 -1.26 -1.75 121.20 122.50 2wg3 s ILE 260 Ca 0.28 1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 59.66 2wg3 s ILE 260 Cb -0.13 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 2wg3 s ILE 260 CO 0.18 0.45 1.13 -0.36 -1.23 0.00 0.00 174.94 175.11 2wg3 s PHE 261 N -0.41 3.51 0.10 3.97 0.08 -0.79 -4.95 117.98 119.49 2wg3 s PHE 261 Ca 0.31 1.43 -0.33 0.00 0.12 0.00 0.00 56.93 58.46 2wg3 s PHE 261 Cb -0.19 -3.33 -0.13 0.00 -0.57 0.00 0.00 43.02 38.80 2wg3 s PHE 261 CO 0.18 -0.89 1.53 -0.22 -0.10 0.00 0.00 175.22 175.72 2wg3 h LYS 262 N 6.73 -0.64 -6.24 0.44 3.64 -1.96 -3.40 116.57 115.14 2wg3 h LYS 262 Ca -0.42 0.04 -0.55 0.00 -1.27 0.00 0.00 60.65 58.46 2wg3 h LYS 262 Cb 1.22 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2wg3 h LYS 262 CO 0.79 -0.43 1.06 -2.00 -2.27 0.00 0.00 179.45 176.60 2wg3 s GLU 263 N -5.62 4.17 0.66 1.90 2.56 -1.26 -4.96 118.70 116.15 2wg3 s GLU 263 Ca -0.15 2.07 -0.17 0.00 0.00 0.00 0.00 54.97 56.71 2wg3 s GLU 263 Cb 0.06 -3.95 -0.00 0.00 2.00 0.00 0.00 34.13 32.24 2wg3 s GLU 263 CO 0.58 -0.85 1.27 -2.14 -0.56 0.00 0.00 175.26 173.57 2wg3 s PRO 264 N 3.98 2.47 0.12 4.30 0.02 -1.26 -4.83 135.00 139.79 2wg3 s PRO 264 Ca 0.70 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.57 2wg3 s PRO 264 Cb -0.31 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2wg3 s PRO 264 CO 0.27 -1.64 1.55 -0.92 -0.33 0.00 0.00 177.00 175.93 2wg3 h TYR 265 N 0.39 0.71 -3.23 6.54 5.03 -0.32 -3.42 116.97 122.66 2wg3 h TYR 265 Ca -0.50 -0.13 -0.50 0.00 2.58 0.00 0.00 58.73 60.18 2wg3 h TYR 265 Cb 1.33 -0.18 -0.37 0.00 1.55 0.00 0.00 36.73 39.06 2wg3 h TYR 265 CO 0.43 0.76 -0.80 -1.17 -1.32 0.00 0.00 178.16 176.06 2wg3 s LEU 266 N -9.42 1.13 -0.33 2.82 2.96 -1.12 -0.76 118.68 113.96 2wg3 s LEU 266 Ca -0.13 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2wg3 s LEU 266 Cb 0.09 -0.75 0.08 0.00 0.50 0.00 0.00 46.19 46.12 2wg3 s LEU 266 CO 0.79 -0.11 0.05 -0.62 -1.32 0.00 0.00 176.35 175.13 2wg3 s ASP 267 N 1.61 4.90 -0.20 3.68 2.15 -1.26 -1.18 116.67 126.37 2wg3 s ASP 267 Ca 0.02 -1.67 0.17 0.00 0.43 0.00 0.00 52.55 51.51 2wg3 s ASP 267 Cb -0.13 -1.70 0.46 0.00 -0.30 0.00 0.00 42.92 41.25 2wg3 s ASP 267 CO -0.06 -0.35 1.16 2.30 -0.17 0.00 0.00 175.17 178.05 2wg3 n ILE 268 N 4.51 1.47 0.27 4.11 -5.35 -0.54 -4.87 119.36 118.96 2wg3 n ILE 268 Ca -0.07 -2.88 0.14 0.00 -0.27 0.00 0.00 62.75 59.67 2wg3 n ILE 268 Cb 0.42 0.34 0.38 0.00 -1.74 0.00 0.00 39.64 39.05 2wg3 n ILE 268 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2wg3 h HIS 269 N 1.86 0.00 -0.13 4.28 2.07 -1.72 -2.01 115.15 119.49 2wg3 h HIS 269 Ca -0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 2wg3 h HIS 269 Cb 1.44 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.41 2wg3 h HIS 269 CO 0.56 0.00 -0.66 0.87 -3.07 0.00 0.00 177.93 175.63 2wg3 h LYS 270 N 0.00 0.52 0.00 5.12 1.57 -1.89 -3.27 116.57 118.62 2wg3 h LYS 270 Ca 0.00 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 2wg3 h LYS 270 Cb 0.78 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2wg3 h LYS 270 CO 0.00 1.00 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.67 2wg3 h LEU 271 N 0.37 0.00 -9.12 2.94 3.38 -1.77 -3.44 115.31 107.68 2wg3 h LEU 271 Ca -0.02 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.32 2wg3 h LEU 271 Cb 1.23 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 2wg3 h LEU 271 CO 0.12 0.14 -0.59 0.68 0.09 0.00 0.00 178.44 178.88 2wg3 s VAL 272 N -3.61 4.58 -0.32 1.22 -7.23 -0.99 -4.38 120.40 109.67 2wg3 s VAL 272 Ca 0.01 -0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 59.86 2wg3 s VAL 272 Cb 0.09 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 2wg3 s VAL 272 CO 0.61 0.50 0.62 -1.58 -0.31 0.00 0.00 175.10 174.95 2wg3 s GLN 273 N 0.05 3.83 0.28 4.82 2.00 -1.14 -4.91 119.66 124.59 2wg3 s GLN 273 Ca 0.04 0.21 0.09 0.00 -2.00 0.00 0.00 55.36 53.70 2wg3 s GLN 273 Cb -0.12 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 2wg3 s GLN 273 CO 0.01 -0.61 0.07 -1.54 -0.50 0.00 0.00 175.29 172.72 2wg3 s SER 274 N 1.68 4.80 0.71 6.67 1.04 -1.26 -2.50 113.70 124.84 2wg3 s SER 274 Ca 0.25 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.96 2wg3 s SER 274 Cb -0.15 -0.95 0.03 0.00 0.10 0.00 0.00 66.02 65.05 2wg3 s SER 274 CO 0.13 -0.07 1.11 -0.83 0.98 0.00 0.00 173.24 174.55 2wg3 s GLY 275 N -3.75 1.96 0.00 7.32 0.00 -0.30 -4.81 107.32 107.75 2wg3 s GLY 275 Ca 0.33 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2wg3 s GLY 275 CO 0.22 0.80 0.00 0.29 0.00 0.00 0.00 173.10 174.41 2wg3 n ILE 276 N -2.92 0.00 -3.52 0.90 -6.64 -1.26 -4.95 119.36 100.97 2wg3 n ILE 276 Ca 0.10 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.08 2wg3 n ILE 276 Cb 0.52 -0.66 0.00 0.00 -1.44 0.00 0.00 39.64 38.06 2wg3 n ILE 276 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 2wg3 n LYS 277 N -1.51 1.89 -2.68 6.28 2.85 -1.26 -4.89 118.16 118.84 2wg3 n LYS 277 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2wg3 n LYS 277 Cb 0.33 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.66 2wg3 n LYS 277 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wg3 s GLY 278 N -1.23 2.66 0.00 2.58 0.00 -1.26 -3.94 107.32 106.13 2wg3 s GLY 278 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2wg3 s GLY 278 CO 0.00 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.67 2wg3 n GLY 279 N 0.14 3.00 3.56 0.20 0.00 -1.26 -4.96 105.19 105.87 2wg3 n GLY 279 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2wg3 n GLY 279 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wg3 s ASP 280 N -1.35 6.38 0.00 1.61 -1.08 -1.25 -4.53 116.67 116.46 2wg3 s ASP 280 Ca 0.00 -1.20 0.05 0.00 -0.52 0.00 0.00 52.55 50.88 2wg3 s ASP 280 Cb 0.00 -2.57 0.32 0.00 -1.46 0.00 0.00 42.92 39.22 2wg3 s ASP 280 CO 0.00 -1.62 1.04 -0.62 0.52 0.00 0.00 175.17 174.49 2wg3 n GLU 281 N 9.00 0.81 -1.38 4.34 1.02 -0.75 -4.20 120.64 129.48 2wg3 n GLU 281 Ca 0.27 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 2wg3 n GLU 281 Cb 0.50 -1.10 0.09 0.00 -0.02 0.00 0.00 31.44 30.91 2wg3 n GLU 281 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wg3 s ARG 282 N -2.00 2.11 0.00 3.49 0.52 -1.26 -4.85 118.95 116.96 2wg3 s ARG 282 Ca 0.08 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 2wg3 s ARG 282 Cb 0.04 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2wg3 s ARG 282 CO 0.06 -1.84 0.00 0.41 0.02 0.00 0.00 175.30 173.96 2wg3 n GLY 283 N 0.16 0.70 3.66 -3.53 0.00 -1.04 -1.15 105.19 104.00 2wg3 n GLY 283 Ca 0.13 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2wg3 n GLY 283 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wg3 s LEU 284 N 0.00 4.28 -0.26 0.99 2.96 0.68 -1.89 118.68 125.43 2wg3 s LEU 284 Ca 0.00 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.98 2wg3 s LEU 284 Cb 0.00 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.99 2wg3 s LEU 284 CO 0.00 -0.87 -0.22 0.18 -1.32 0.00 0.00 176.35 174.12 2wg3 n LEU 285 N 6.93 2.91 -3.74 -0.68 4.77 -0.02 -4.49 117.00 122.67 2wg3 n LEU 285 Ca 0.16 -0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2wg3 n LEU 285 Cb 0.43 -0.91 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2wg3 n LEU 285 CO 0.60 0.91 0.52 -0.55 -1.33 0.00 0.00 177.39 177.54 2wg3 s SER 286 N -6.60 -0.31 -0.16 -1.43 0.15 -0.92 -4.75 113.70 99.69 2wg3 s SER 286 Ca -0.35 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 55.73 2wg3 s SER 286 Cb 0.09 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 2wg3 s SER 286 CO 0.60 -1.16 0.42 -0.22 1.20 0.00 0.00 173.24 174.08 2wg3 s LEU 287 N -2.87 0.37 0.01 3.45 2.96 -1.26 -1.16 118.68 120.18 2wg3 s LEU 287 Ca 0.09 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 2wg3 s LEU 287 Cb -0.04 1.44 -0.01 0.00 0.50 0.00 0.00 46.19 48.08 2wg3 s LEU 287 CO 0.02 -0.15 -0.01 0.00 -1.32 0.00 0.00 176.35 174.88 2wg3 s ALA 288 N 0.27 0.06 -0.11 5.97 0.00 0.02 -4.78 121.76 123.18 2wg3 s ALA 288 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 2wg3 s ALA 288 Cb -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2wg3 s ALA 288 CO 0.00 -0.07 0.01 -0.06 0.00 0.00 0.00 175.76 175.64 2wg3 s PHE 289 N -0.69 3.18 0.34 0.00 0.40 -1.26 -0.41 117.98 119.54 2wg3 s PHE 289 Ca -0.07 0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 56.10 2wg3 s PHE 289 Cb -0.05 -1.87 -0.12 0.00 0.51 0.00 0.00 43.02 41.49 2wg3 s PHE 289 CO -0.00 0.36 1.24 1.58 0.70 0.00 0.00 175.22 179.10 2wg3 n HIS 290 N 2.56 2.10 0.14 0.36 -0.00 0.91 -4.80 115.22 116.50 2wg3 n HIS 290 Ca -0.18 0.58 0.06 0.00 -0.00 0.00 0.00 57.72 58.17 2wg3 n HIS 290 Cb 0.53 -2.39 0.32 0.00 -0.00 0.00 0.00 29.99 28.45 2wg3 n HIS 290 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2wg3 n PRO 291 N 0.55 0.08 -0.24 1.57 -0.02 -1.26 -1.51 135.00 134.17 2wg3 n PRO 291 Ca 0.06 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2wg3 n PRO 291 Cb 0.36 -2.04 0.15 0.00 -0.02 0.00 0.00 33.50 31.95 2wg3 n PRO 291 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wg3 n ASN 292 N -1.96 2.09 -0.37 2.55 5.15 -1.26 -4.83 115.26 116.64 2wg3 n ASN 292 Ca -0.01 -3.27 0.29 0.00 -0.60 0.00 0.00 54.58 50.99 2wg3 n ASN 292 Cb 0.30 -0.45 0.55 0.00 -0.53 0.00 0.00 39.78 39.65 2wg3 n ASN 292 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2wg3 h TYR 293 N 0.28 0.75 0.00 1.20 5.03 -1.54 0.28 116.97 122.97 2wg3 h TYR 293 Ca -0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2wg3 h TYR 293 Cb 1.02 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 39.11 2wg3 h TYR 293 CO 0.21 -0.19 -0.01 -0.22 -1.32 0.00 0.00 178.16 176.63 2wg3 h LYS 294 N 0.22 0.00 0.00 1.82 3.64 -1.84 0.11 116.57 120.51 2wg3 h LYS 294 Ca 0.76 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.95 2wg3 h LYS 294 Cb 2.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.79 2wg3 h LYS 294 CO -0.52 0.01 -1.72 1.63 -2.27 0.00 0.00 179.45 176.58 2wg3 n LYS 295 N -3.44 0.63 -0.00 1.90 5.02 0.03 -4.76 118.16 117.53 2wg3 n LYS 295 Ca -0.03 0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.43 2wg3 n LYS 295 Cb 0.10 -1.26 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 2wg3 n LYS 295 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wg3 n ASN 296 N -2.80 0.61 -2.65 4.39 0.23 -0.83 -4.61 115.26 109.60 2wg3 n ASN 296 Ca -0.22 -0.60 -0.21 0.00 -0.53 0.00 0.00 54.58 53.03 2wg3 n ASN 296 Cb 0.75 1.37 0.02 0.00 -2.08 0.00 0.00 39.78 39.84 2wg3 n ASN 296 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wg3 n GLY 297 N 1.41 -0.46 3.53 4.83 0.00 0.37 -4.82 105.19 110.04 2wg3 n GLY 297 Ca 0.01 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2wg3 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wg3 s LYS 298 N -5.41 3.64 0.33 1.61 -0.14 -1.26 -1.13 119.74 117.38 2wg3 s LYS 298 Ca 0.18 -0.53 0.10 0.00 -1.36 0.00 0.00 55.97 54.36 2wg3 s LYS 298 Cb -0.08 -3.67 -0.06 0.00 -1.68 0.00 0.00 37.83 32.34 2wg3 s LYS 298 CO 0.23 -0.32 -0.11 -0.48 -0.76 0.00 0.00 175.35 173.91 2wg3 s LEU 299 N 1.71 2.70 -0.02 3.17 2.34 -0.67 -0.06 118.68 127.84 2wg3 s LEU 299 Ca 0.06 -1.17 0.00 0.00 0.06 0.00 0.00 54.13 53.08 2wg3 s LEU 299 Cb -0.17 -0.99 0.03 0.00 -0.56 0.00 0.00 46.19 44.50 2wg3 s LEU 299 CO 0.09 -0.18 0.01 -0.31 -1.06 0.00 0.00 176.35 174.90 2wg3 s TYR 300 N -2.63 0.21 0.04 3.48 1.51 0.46 -1.43 117.35 118.99 2wg3 s TYR 300 Ca 0.32 0.04 0.09 0.00 -1.01 0.00 0.00 57.07 56.50 2wg3 s TYR 300 Cb 0.02 -0.33 -0.03 0.00 -0.11 0.00 0.00 41.96 41.51 2wg3 s TYR 300 CO 0.16 -0.10 -0.24 0.14 -1.11 0.00 0.00 175.55 174.39 2wg3 s VAL 301 N 0.93 1.97 -0.11 0.71 -7.23 0.45 -0.80 120.40 116.31 2wg3 s VAL 301 Ca -0.09 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2wg3 s VAL 301 Cb -0.12 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 2wg3 s VAL 301 CO -0.02 0.32 -0.12 -0.94 -0.31 0.00 0.00 175.10 174.03 2wg3 s SER 302 N -1.19 4.13 0.09 4.85 1.04 -0.31 -0.85 113.70 121.47 2wg3 s SER 302 Ca 0.10 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.12 2wg3 s SER 302 Cb -0.10 -1.47 0.03 0.00 0.10 0.00 0.00 66.02 64.58 2wg3 s SER 302 CO 0.02 0.21 0.36 -0.72 0.98 0.00 0.00 173.24 174.09 2wg3 s TYR 303 N 0.09 -0.15 0.25 5.02 1.13 -0.61 -0.84 117.35 122.25 2wg3 s TYR 303 Ca -0.05 -0.12 -0.18 0.00 -1.41 0.00 0.00 57.07 55.32 2wg3 s TYR 303 Cb -0.15 0.18 -0.08 0.00 -1.10 0.00 0.00 41.96 40.81 2wg3 s TYR 303 CO 0.04 -0.63 0.72 0.95 -2.51 0.00 0.00 175.55 174.12 2wg3 s THR 304 N -3.43 4.62 0.34 -3.49 -4.23 -0.80 0.02 115.64 108.69 2wg3 s THR 304 Ca 0.01 1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 61.62 2wg3 s THR 304 Cb 0.02 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2wg3 s THR 304 CO -0.09 0.08 0.50 0.28 -0.54 0.00 0.00 174.62 174.85 2wg3 s THR 305 N -1.67 0.00 0.24 3.99 -1.32 0.33 -2.89 115.64 114.32 2wg3 s THR 305 Ca 0.46 -1.54 -0.30 0.00 -1.21 0.00 0.00 61.69 59.10 2wg3 s THR 305 Cb -0.14 -2.64 -0.10 0.00 -1.51 0.00 0.00 72.50 68.10 2wg3 s THR 305 CO 0.20 0.00 1.49 0.20 -2.21 0.00 0.00 174.62 174.30 2wg3 s ASN 306 N -3.21 6.59 -0.41 8.08 -0.87 -1.26 -2.35 114.94 121.50 2wg3 s ASN 306 Ca 0.29 2.71 0.01 0.00 -1.57 0.00 0.00 52.86 54.30 2wg3 s ASN 306 Cb -0.01 -2.62 0.11 0.00 -0.02 0.00 0.00 41.25 38.72 2wg3 s ASN 306 CO 0.19 -0.76 0.16 -1.58 -2.57 0.00 0.00 177.10 172.53 2wg3 s GLN 307 N -0.09 1.80 -0.97 -0.60 2.00 -1.26 -4.66 119.66 115.87 2wg3 s GLN 307 Ca 0.62 -2.01 -0.05 0.00 -2.00 0.00 0.00 55.36 51.92 2wg3 s GLN 307 Cb -0.43 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 29.94 2wg3 s GLN 307 CO 0.42 -1.02 0.85 -1.91 -0.50 0.00 0.00 175.29 173.13 2wg3 n GLU 308 N 4.15 -1.96 0.00 1.67 4.07 -1.26 -4.66 120.64 122.65 2wg3 n GLU 308 Ca 0.02 1.03 0.00 0.00 -0.06 0.00 0.00 57.16 58.16 2wg3 n GLU 308 Cb 0.40 -5.75 0.00 0.00 -0.06 0.00 0.00 31.44 26.03 2wg3 n GLU 308 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2wg3 n ARG 309 N -2.85 0.00 -1.62 5.31 0.63 -1.26 -5.08 116.66 111.79 2wg3 n ARG 309 Ca -0.05 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.37 2wg3 n ARG 309 Cb 0.59 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.44 2wg3 n ARG 309 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2wg3 n TRP 310 N 0.00 1.72 -2.50 -0.14 7.02 -1.26 -4.84 117.44 117.44 2wg3 n TRP 310 Ca 0.00 0.54 -0.42 0.00 -1.02 0.00 0.00 57.50 56.60 2wg3 n TRP 310 Cb 0.00 -2.39 -0.03 0.00 -2.42 0.00 0.00 31.31 26.47 2wg3 n TRP 310 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wg3 s ALA 311 N 0.80 3.34 0.02 6.99 0.00 -1.26 -4.93 121.76 126.71 2wg3 s ALA 311 Ca 0.84 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.68 2wg3 s ALA 311 Cb -0.90 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 18.69 2wg3 s ALA 311 CO 0.46 -0.34 1.25 0.82 0.00 0.00 0.00 175.76 177.94 2wg3 h ILE 312 N 4.39 1.36 -2.15 0.00 5.03 -1.94 -3.49 117.51 120.71 2wg3 h ILE 312 Ca -0.42 -2.98 0.03 0.00 -0.12 0.00 0.00 64.86 61.38 2wg3 h ILE 312 Cb 1.21 2.66 -0.00 0.00 -3.03 0.00 0.00 36.82 37.66 2wg3 h ILE 312 CO 0.78 0.77 0.19 0.61 -0.68 0.00 0.00 178.15 179.82 2wg3 n GLY 313 N 1.34 1.25 3.61 5.37 0.00 -1.26 -5.15 105.19 110.35 2wg3 n GLY 313 Ca -0.01 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 2wg3 n GLY 313 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wg3 s PRO 314 N -2.03 0.23 -1.55 1.61 0.02 -1.26 -3.86 135.00 128.15 2wg3 s PRO 314 Ca 0.08 1.01 -0.03 0.00 0.02 0.00 0.00 61.00 62.08 2wg3 s PRO 314 Cb -0.01 -1.67 0.03 0.00 0.02 0.00 0.00 34.50 32.86 2wg3 s PRO 314 CO 0.03 -3.00 0.06 0.72 -0.33 0.00 0.00 177.00 174.48 2wg3 n HIS 315 N -4.43 -1.22 -3.17 6.54 8.25 -1.26 -4.65 115.22 115.27 2wg3 n HIS 315 Ca 0.06 0.61 -0.39 0.00 -0.26 0.00 0.00 57.72 57.74 2wg3 n HIS 315 Cb 0.54 -2.64 -0.06 0.00 1.12 0.00 0.00 29.99 28.95 2wg3 n HIS 315 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wg3 s ASP 316 N -4.24 7.03 0.18 0.41 2.15 -1.25 -4.08 116.67 116.87 2wg3 s ASP 316 Ca 0.09 1.23 -0.21 0.00 0.43 0.00 0.00 52.55 54.08 2wg3 s ASP 316 Cb -0.05 -2.38 0.08 0.00 -0.30 0.00 0.00 42.92 40.26 2wg3 s ASP 316 CO 0.98 0.11 1.03 0.00 -0.17 0.00 0.00 175.17 177.12 2wg3 n HIS 317 N 2.57 -1.33 -4.53 -5.34 1.44 -0.93 -4.47 115.22 102.64 2wg3 n HIS 317 Ca -0.07 -1.24 -0.26 0.00 -2.01 0.00 0.00 57.72 54.14 2wg3 n HIS 317 Cb 0.51 0.61 -0.14 0.00 0.12 0.00 0.00 29.99 31.09 2wg3 n HIS 317 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2wg3 s ILE 318 N -2.06 1.76 -0.29 0.61 -4.36 -0.99 -0.18 121.20 115.69 2wg3 s ILE 318 Ca 0.23 -1.37 -0.11 0.00 -0.26 0.00 0.00 60.65 59.14 2wg3 s ILE 318 Cb -0.03 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 2wg3 s ILE 318 CO 0.05 0.12 0.18 -0.22 0.24 0.00 0.00 174.94 175.31 2wg3 s LEU 319 N -1.49 4.02 -0.06 0.37 0.20 0.87 -0.51 118.68 122.08 2wg3 s LEU 319 Ca 0.08 -0.14 -0.05 0.00 0.69 0.00 0.00 54.13 54.72 2wg3 s LEU 319 Cb -0.09 -2.09 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 2wg3 s LEU 319 CO 0.03 -0.09 0.15 -0.13 -0.29 0.00 0.00 176.35 176.03 2wg3 s ARG 320 N 1.72 3.41 -0.22 1.98 0.52 0.10 -1.08 118.95 125.39 2wg3 s ARG 320 Ca 0.07 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 2wg3 s ARG 320 Cb -0.16 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.20 2wg3 s ARG 320 CO 0.10 0.73 -0.10 0.08 0.02 0.00 0.00 175.30 176.12 2wg3 s VAL 321 N -1.17 2.74 -0.03 3.52 1.01 -0.77 -1.57 120.40 124.14 2wg3 s VAL 321 Ca 0.21 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2wg3 s VAL 321 Cb -0.12 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2wg3 s VAL 321 CO 0.11 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.74 2wg3 s VAL 322 N 1.36 1.31 -0.12 2.92 1.01 -0.03 -0.65 120.40 126.19 2wg3 s VAL 322 Ca 0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2wg3 s VAL 322 Cb -0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2wg3 s VAL 322 CO -0.07 0.37 0.34 -0.70 0.00 0.00 0.00 175.10 175.04 2wg3 s GLU 323 N -0.17 4.14 0.28 2.72 2.12 0.15 -0.41 118.70 127.54 2wg3 s GLU 323 Ca 0.02 0.20 0.10 0.00 0.36 0.00 0.00 54.97 55.65 2wg3 s GLU 323 Cb -0.09 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 2wg3 s GLU 323 CO 0.01 0.35 -0.14 0.71 -0.54 0.00 0.00 175.26 175.65 2wg3 s TYR 324 N 0.08 2.18 0.01 5.30 2.02 -0.52 -1.05 117.35 125.38 2wg3 s TYR 324 Ca 0.19 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.50 2wg3 s TYR 324 Cb -0.14 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 2wg3 s TYR 324 CO 0.07 0.56 -0.23 0.99 -1.57 0.00 0.00 175.55 175.37 2wg3 s THR 325 N -2.68 1.81 0.45 -0.71 2.01 -1.26 -1.66 115.64 113.58 2wg3 s THR 325 Ca 0.29 -1.10 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 2wg3 s THR 325 Cb -0.01 -1.53 -0.09 0.00 0.01 0.00 0.00 72.50 70.89 2wg3 s THR 325 CO 0.14 0.40 1.38 0.55 -0.69 0.00 0.00 174.62 176.39 2wg3 n VAL 326 N 2.21 2.76 -1.68 3.82 3.14 -0.29 -2.19 118.33 126.10 2wg3 n VAL 326 Ca -0.16 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.27 2wg3 n VAL 326 Cb 0.52 -1.75 -0.04 0.00 -1.06 0.00 0.00 33.84 31.52 2wg3 n VAL 326 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2wg3 n SER 327 N -0.09 3.31 0.08 6.55 2.88 -0.49 -4.59 113.62 121.27 2wg3 n SER 327 Ca 0.06 1.08 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 2wg3 n SER 327 Cb 0.41 -1.46 0.38 0.00 -0.75 0.00 0.00 64.21 62.79 2wg3 n SER 327 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2wg3 n ARG 328 N 3.56 0.10 0.00 -1.46 1.85 -1.26 -2.88 116.66 116.57 2wg3 n ARG 328 Ca 0.17 0.44 0.07 0.00 -1.00 0.00 0.00 57.85 57.53 2wg3 n ARG 328 Cb 0.30 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 29.92 2wg3 n ARG 328 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wg3 n LYS 329 N -1.92 1.85 -3.19 2.89 5.02 -1.26 -4.18 118.16 117.37 2wg3 n LYS 329 Ca 0.01 -0.20 0.01 0.00 -2.02 0.00 0.00 58.31 56.12 2wg3 n LYS 329 Cb 0.13 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2wg3 n LYS 329 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wg3 s ASN 330 N -2.32 -1.13 0.06 4.39 2.47 -1.14 -5.00 114.94 112.26 2wg3 s ASN 330 Ca 0.08 0.53 0.13 0.00 0.42 0.00 0.00 52.86 54.01 2wg3 s ASN 330 Cb 0.12 1.93 0.57 0.00 -1.45 0.00 0.00 41.25 42.42 2wg3 s ASN 330 CO 0.58 -0.28 1.41 -2.65 -3.72 0.00 0.00 177.10 172.43 2wg3 n PRO 331 N 5.41 0.04 -1.00 0.43 -0.02 -1.26 -2.96 135.00 135.63 2wg3 n PRO 331 Ca 0.00 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 2wg3 n PRO 331 Cb 0.52 -1.58 0.26 0.00 -0.02 0.00 0.00 33.50 32.68 2wg3 n PRO 331 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wg3 n HIS 332 N -1.65 2.33 -3.64 6.00 8.25 -1.26 -4.92 115.22 120.32 2wg3 n HIS 332 Ca 0.02 -1.38 -0.06 0.00 -0.26 0.00 0.00 57.72 56.04 2wg3 n HIS 332 Cb 0.13 -0.70 -0.07 0.00 1.12 0.00 0.00 29.99 30.47 2wg3 n HIS 332 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wg3 s GLN 333 N -3.09 0.67 0.34 -0.41 0.74 -1.16 -4.20 119.66 112.55 2wg3 s GLN 333 Ca 0.53 1.16 -0.15 0.00 0.05 0.00 0.00 55.36 56.96 2wg3 s GLN 333 Cb 0.44 0.13 -0.09 0.00 1.10 0.00 0.00 33.01 34.59 2wg3 s GLN 333 CO 0.11 -0.14 0.75 0.14 -0.55 0.00 0.00 175.29 175.60 2wg3 s VAL 334 N 1.60 4.68 -0.47 1.34 -7.23 0.06 -1.40 120.40 118.99 2wg3 s VAL 334 Ca -0.10 0.92 -0.25 0.00 -1.81 0.00 0.00 61.98 60.75 2wg3 s VAL 334 Cb -0.05 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.30 2wg3 s VAL 334 CO -0.19 -0.24 0.90 -0.62 -0.31 0.00 0.00 175.10 174.64 2wg3 s ASP 335 N -2.39 6.47 0.62 4.85 -1.08 -0.93 -4.64 116.67 119.57 2wg3 s ASP 335 Ca 0.54 0.03 0.37 0.00 -0.52 0.00 0.00 52.55 52.97 2wg3 s ASP 335 Cb -0.10 -2.44 2.06 0.00 -1.46 0.00 0.00 42.92 40.99 2wg3 s ASP 335 CO 0.19 -1.04 2.28 -0.07 0.52 0.00 0.00 175.17 177.05 2wg3 h LEU 336 N 10.52 0.00 -0.66 -1.34 3.38 -1.95 -1.89 115.31 123.36 2wg3 h LEU 336 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2wg3 h LEU 336 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2wg3 h LEU 336 CO 1.02 0.01 0.00 0.03 0.09 0.00 0.00 178.44 179.59 2wg3 h ARG 337 N 0.00 0.00 0.00 1.13 3.08 -1.95 -3.20 114.38 113.43 2wg3 h ARG 337 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wg3 h ARG 337 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2wg3 h ARG 337 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 2wg3 n THR 338 N -2.93 0.00 -1.59 2.04 -2.24 -0.71 -4.91 114.28 103.94 2wg3 n THR 338 Ca 0.03 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.36 2wg3 n THR 338 Cb 0.40 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 2wg3 n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wg3 n ALA 339 N -0.75 -0.29 -3.31 6.98 0.00 -1.21 -4.45 120.51 117.48 2wg3 n ALA 339 Ca 0.10 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.86 2wg3 n ALA 339 Cb 0.05 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 2wg3 n ALA 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wg3 s ARG 340 N -1.48 0.39 0.18 0.00 3.52 -0.21 -4.97 118.95 116.38 2wg3 s ARG 340 Ca 0.59 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.36 2wg3 s ARG 340 Cb -0.71 -0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 32.30 2wg3 s ARG 340 CO 0.59 -0.76 1.03 0.08 -0.81 0.00 0.00 175.30 175.43 2wg3 s VAL 341 N 2.58 4.05 -0.15 7.11 1.01 -1.26 -0.68 120.40 133.07 2wg3 s VAL 341 Ca 0.13 1.83 -0.13 0.00 0.00 0.00 0.00 61.98 63.80 2wg3 s VAL 341 Cb -0.14 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2wg3 s VAL 341 CO -0.21 0.34 -0.27 0.49 0.00 0.00 0.00 175.10 175.45 2wg3 n PHE 342 N 2.21 0.00 -4.19 5.22 0.99 0.18 -4.91 117.46 116.95 2wg3 n PHE 342 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.29 2wg3 n PHE 342 Cb 0.47 -0.52 -0.11 0.00 -1.00 0.00 0.00 39.48 38.32 2wg3 n PHE 342 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2wg3 s LEU 343 N -7.51 2.35 -0.16 4.37 1.02 -1.07 -5.00 118.68 112.68 2wg3 s LEU 343 Ca -0.25 -0.72 -0.04 0.00 0.02 0.00 0.00 54.13 53.13 2wg3 s LEU 343 Cb 0.06 -0.47 0.07 0.00 0.02 0.00 0.00 46.19 45.87 2wg3 s LEU 343 CO 0.35 -0.15 0.14 -1.61 0.02 0.00 0.00 176.35 175.10 2wg3 s GLU 344 N -2.28 0.08 -0.28 1.70 2.02 -1.26 -1.85 118.70 116.84 2wg3 s GLU 344 Ca 0.03 0.13 -0.10 0.00 0.02 0.00 0.00 54.97 55.05 2wg3 s GLU 344 Cb -0.07 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 2wg3 s GLU 344 CO 0.02 -0.59 0.15 0.08 0.02 0.00 0.00 175.26 174.94 2wg3 s VAL 345 N 2.22 4.95 0.35 2.63 1.01 -0.24 -4.93 120.40 126.39 2wg3 s VAL 345 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 2wg3 s VAL 345 Cb -0.15 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 2wg3 s VAL 345 CO -0.09 0.25 1.43 0.00 0.00 0.00 0.00 175.10 176.69 2wg3 s ALA 346 N 1.70 3.56 -0.04 5.51 0.00 -1.26 -0.09 121.76 131.15 2wg3 s ALA 346 Ca 0.07 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.52 2wg3 s ALA 346 Cb -0.16 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.40 2wg3 s ALA 346 CO 0.08 -0.91 -0.10 -1.21 0.00 0.00 0.00 175.76 173.62 2wg3 s GLU 347 N -1.81 1.19 -0.00 0.00 0.41 0.74 -4.70 118.70 114.53 2wg3 s GLU 347 Ca 0.53 -0.35 0.16 0.00 -0.41 0.00 0.00 54.97 54.90 2wg3 s GLU 347 Cb -0.44 -1.07 -0.18 0.00 -1.78 0.00 0.00 34.13 30.65 2wg3 s GLU 347 CO 0.58 0.10 0.68 1.28 -0.49 0.00 0.00 175.26 177.41 2wg3 n LEU 348 N 3.41 0.72 0.00 1.80 4.77 -1.26 -2.20 117.00 124.24 2wg3 n LEU 348 Ca -0.20 0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 2wg3 n LEU 348 Cb 0.53 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 2wg3 n LEU 348 CO 0.25 0.24 -0.17 1.41 -1.33 0.00 0.00 177.39 177.78 2wg3 n HIS 349 N -2.88 0.34 -0.31 -1.77 8.25 -1.26 -4.36 115.22 113.23 2wg3 n HIS 349 Ca -0.14 -2.51 0.04 0.00 -0.26 0.00 0.00 57.72 54.84 2wg3 n HIS 349 Cb 0.92 -0.07 0.07 0.00 1.12 0.00 0.00 29.99 32.03 2wg3 n HIS 349 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wg3 n ARG 350 N -0.96 2.63 -4.68 -0.41 1.74 -1.26 -4.93 116.66 108.79 2wg3 n ARG 350 Ca -0.09 -1.91 -0.30 0.00 -0.77 0.00 0.00 57.85 54.78 2wg3 n ARG 350 Cb 0.60 -1.21 -0.09 0.00 -1.02 0.00 0.00 32.46 30.74 2wg3 n ARG 350 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wg3 s LYS 351 N -1.50 2.07 -1.52 5.56 1.02 -1.26 -1.80 119.74 122.30 2wg3 s LYS 351 Ca 0.13 -2.25 -0.13 0.00 0.02 0.00 0.00 55.97 53.74 2wg3 s LYS 351 Cb 0.10 -1.55 0.08 0.00 -0.52 0.00 0.00 37.83 35.94 2wg3 s LYS 351 CO 0.04 -0.21 0.96 0.72 -0.92 0.00 0.00 175.35 175.94 2wg3 n HIS 352 N -1.10 -2.28 0.04 3.18 8.25 -1.26 -4.28 115.22 117.76 2wg3 n HIS 352 Ca -0.12 0.88 -0.13 0.00 -0.26 0.00 0.00 57.72 58.09 2wg3 n HIS 352 Cb 0.67 -3.95 -0.14 0.00 1.12 0.00 0.00 29.99 27.69 2wg3 n HIS 352 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wg3 h LEU 353 N -2.02 0.23 0.00 2.41 3.38 -1.87 0.18 115.31 117.61 2wg3 h LEU 353 Ca -0.57 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2wg3 h LEU 353 Cb 1.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wg3 h LEU 353 CO 0.66 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.09 2wg3 n GLY 354 N 1.60 1.16 0.00 0.83 0.00 -1.26 -2.65 105.19 104.87 2wg3 n GLY 354 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2wg3 n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg3 n GLY 355 N 0.00 1.78 3.69 -0.02 0.00 0.20 -4.85 105.19 106.00 2wg3 n GLY 355 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2wg3 n GLY 355 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wg3 n GLN 356 N 0.00 1.59 -3.95 1.61 7.27 -1.22 -4.50 117.38 118.19 2wg3 n GLN 356 Ca 0.00 0.58 -0.37 0.00 0.07 0.00 0.00 57.00 57.28 2wg3 n GLN 356 Cb 0.00 -2.33 -0.07 0.00 2.41 0.00 0.00 30.24 30.26 2wg3 n GLN 356 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wg3 s LEU 357 N 3.52 4.27 -0.24 1.69 1.43 -1.26 -1.32 118.68 126.77 2wg3 s LEU 357 Ca 0.95 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 2wg3 s LEU 357 Cb -0.91 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 43.34 2wg3 s LEU 357 CO 0.58 0.40 0.64 -1.48 0.23 0.00 0.00 176.35 176.72 2wg3 s LEU 358 N -0.96 -0.49 -0.04 1.79 0.05 -0.61 -4.67 118.68 113.75 2wg3 s LEU 358 Ca 0.14 1.31 -0.18 0.00 0.05 0.00 0.00 54.13 55.45 2wg3 s LEU 358 Cb -0.12 2.20 -0.05 0.00 -2.05 0.00 0.00 46.19 46.17 2wg3 s LEU 358 CO 0.04 -0.22 0.50 -0.36 -0.55 0.00 0.00 176.35 175.75 2wg3 s PHE 359 N 0.48 3.65 0.60 3.48 0.08 -1.26 0.18 117.98 125.19 2wg3 s PHE 359 Ca -0.01 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.09 2wg3 s PHE 359 Cb -0.05 -2.49 0.06 0.00 -0.57 0.00 0.00 43.02 39.98 2wg3 s PHE 359 CO -0.01 0.39 0.83 0.20 -0.10 0.00 0.00 175.22 176.53 2wg3 s GLY 360 N -0.23 1.81 0.64 4.36 0.00 -0.31 -4.95 107.32 108.64 2wg3 s GLY 360 Ca 0.27 -1.49 0.43 0.00 0.00 0.00 0.00 44.72 43.92 2wg3 s GLY 360 CO 0.14 -1.12 2.30 -0.56 0.00 0.00 0.00 173.10 173.85 2wg3 h PRO 361 N -0.08 0.00 0.00 2.90 0.13 -1.89 0.20 132.00 133.25 2wg3 h PRO 361 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2wg3 h PRO 361 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wg3 h PRO 361 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 2wg3 n ASP 362 N -3.07 0.00 0.00 1.44 5.68 -1.26 -4.92 116.55 114.42 2wg3 n ASP 362 Ca -0.02 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2wg3 n ASP 362 Cb 0.11 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2wg3 n ASP 362 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wg3 n GLY 363 N 0.98 0.88 3.84 6.12 0.00 0.69 -5.04 105.19 112.66 2wg3 n GLY 363 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2wg3 n GLY 363 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg3 s PHE 364 N -3.50 3.49 -0.15 1.61 2.99 -1.26 -4.79 117.98 116.37 2wg3 s PHE 364 Ca 0.00 1.21 -0.27 0.00 0.00 0.00 0.00 56.93 57.87 2wg3 s PHE 364 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 43.02 40.50 2wg3 s PHE 364 CO 0.00 0.23 0.90 -1.17 -0.00 0.00 0.00 175.22 175.18 2wg3 s LEU 365 N -2.53 4.19 -0.11 -0.37 2.96 -0.84 -1.16 118.68 120.82 2wg3 s LEU 365 Ca 0.48 1.31 -0.06 0.00 -0.22 0.00 0.00 54.13 55.64 2wg3 s LEU 365 Cb -0.13 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2wg3 s LEU 365 CO 0.19 -0.43 0.11 -0.31 -1.32 0.00 0.00 176.35 174.59 2wg3 s TYR 366 N 2.18 3.50 -0.11 5.38 2.02 0.13 -1.25 117.35 129.20 2wg3 s TYR 366 Ca 0.42 0.45 0.02 0.00 -0.37 0.00 0.00 57.07 57.59 2wg3 s TYR 366 Cb -0.17 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2wg3 s TYR 366 CO 0.14 0.68 -0.14 0.42 -1.57 0.00 0.00 175.55 175.07 2wg3 s ILE 367 N -1.01 1.44 -0.43 2.71 1.01 -0.63 -1.58 121.20 122.71 2wg3 s ILE 367 Ca 0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 2wg3 s ILE 367 Cb -0.12 -1.32 0.11 0.00 0.01 0.00 0.00 42.46 41.14 2wg3 s ILE 367 CO 0.04 0.43 0.26 -0.63 0.00 0.00 0.00 174.94 175.04 2wg3 s ILE 368 N 1.02 3.59 -0.10 2.92 1.01 -0.43 -1.15 121.20 128.06 2wg3 s ILE 368 Ca -0.06 -2.00 -0.04 0.00 0.00 0.00 0.00 60.65 58.55 2wg3 s ILE 368 Cb -0.15 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2wg3 s ILE 368 CO -0.02 -0.72 0.06 -0.76 0.00 0.00 0.00 174.94 173.50 2wg3 s LEU 369 N 1.18 3.90 0.80 2.97 1.43 -0.88 0.62 118.68 128.70 2wg3 s LEU 369 Ca 0.08 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 2wg3 s LEU 369 Cb -0.24 -1.92 0.15 0.00 0.03 0.00 0.00 46.19 44.20 2wg3 s LEU 369 CO -0.03 0.39 1.11 -0.83 0.23 0.00 0.00 176.35 177.22 2wg3 s GLY 370 N -0.96 1.76 0.01 -3.19 0.00 -1.08 -2.49 107.32 101.37 2wg3 s GLY 370 Ca 0.14 -1.49 0.21 0.00 0.00 0.00 0.00 44.72 43.58 2wg3 s GLY 370 CO 0.03 -0.86 1.66 2.09 0.00 0.00 0.00 173.10 176.01 2wg3 n ASP 371 N -3.16 0.03 -0.23 1.64 5.68 0.44 -0.38 116.55 120.58 2wg3 n ASP 371 Ca 0.15 0.51 -0.03 0.00 -0.50 0.00 0.00 54.79 54.91 2wg3 n ASP 371 Cb 0.60 -0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 2wg3 n ASP 371 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wg3 n GLY 372 N 0.60 0.28 3.34 6.12 0.00 0.61 -1.22 105.19 114.93 2wg3 n GLY 372 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2wg3 n GLY 372 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wg3 n MET 373 N 0.49 -4.12 -3.17 1.61 0.00 -1.26 -4.08 117.12 106.59 2wg3 n MET 373 Ca -0.03 0.61 -0.39 0.00 0.00 0.00 0.00 57.70 57.89 2wg3 n MET 373 Cb 0.51 -5.39 -0.06 0.00 0.00 0.00 0.00 33.22 28.28 2wg3 n MET 373 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2wg3 s ILE 374 N -3.05 5.08 0.52 2.02 -1.09 -0.35 -4.95 121.20 119.38 2wg3 s ILE 374 Ca 0.41 1.15 -0.01 0.00 -2.23 0.00 0.00 60.65 59.96 2wg3 s ILE 374 Cb -0.21 -3.92 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 2wg3 s ILE 374 CO 0.51 0.19 0.77 0.42 -1.23 0.00 0.00 174.94 175.60 2wg3 s THR 375 N 1.39 3.47 0.22 2.92 -4.23 -1.26 -4.97 115.64 113.18 2wg3 s THR 375 Ca 0.29 -0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 2wg3 s THR 375 Cb -0.16 -3.32 0.18 0.00 1.34 0.00 0.00 72.50 70.53 2wg3 s THR 375 CO 0.12 -0.26 1.83 0.25 -0.54 0.00 0.00 174.62 176.02 2wg3 h LEU 376 N 0.12 1.04 -0.45 4.79 5.85 -1.99 -2.32 115.31 122.36 2wg3 h LEU 376 Ca -0.45 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.26 2wg3 h LEU 376 Cb 1.27 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 2wg3 h LEU 376 CO 0.57 0.85 -0.22 0.44 -0.34 0.00 0.00 178.44 179.74 2wg3 h ASP 377 N 1.15 -0.74 -0.36 1.25 5.19 -1.98 0.99 116.42 121.92 2wg3 h ASP 377 Ca 0.29 0.17 0.07 0.00 -0.62 0.00 0.00 57.03 56.94 2wg3 h ASP 377 Cb 0.05 0.40 -0.06 0.00 0.18 0.00 0.00 39.33 39.90 2wg3 h ASP 377 CO -0.04 -0.24 -0.05 0.44 -3.12 0.00 0.00 179.24 176.22 2wg3 h ASP 378 N -0.13 -0.25 -0.21 6.45 3.32 -1.85 -1.02 116.42 122.73 2wg3 h ASP 378 Ca 0.21 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 2wg3 h ASP 378 Cb 0.46 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2wg3 h ASP 378 CO -0.53 -0.09 -0.10 0.24 -1.72 0.00 0.00 179.24 177.05 2wg3 h MET 379 N 0.04 0.58 0.00 3.56 2.86 -0.84 0.43 114.93 121.56 2wg3 h MET 379 Ca 0.17 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2wg3 h MET 379 Cb 0.26 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2wg3 h MET 379 CO -0.34 0.68 -0.25 0.93 1.06 0.00 0.00 176.91 178.99 2wg3 h GLU 380 N 0.54 0.00 0.00 1.72 5.08 -0.56 -3.37 114.58 117.99 2wg3 h GLU 380 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wg3 h GLU 380 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wg3 h GLU 380 CO 0.03 0.25 -1.01 0.39 -1.00 0.00 0.00 179.01 177.66 2wg3 n GLU 381 N -3.45 1.83 -4.37 2.33 1.02 -0.41 -5.00 120.64 112.59 2wg3 n GLU 381 Ca -0.00 -0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.83 2wg3 n GLU 381 Cb 0.43 -1.18 -0.17 0.00 -0.02 0.00 0.00 31.44 30.50 2wg3 n GLU 381 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2wg3 s MET 382 N -2.48 1.81 0.18 3.49 -1.94 0.02 -5.06 119.30 115.32 2wg3 s MET 382 Ca 0.01 -0.41 -0.30 0.00 -1.71 0.00 0.00 55.69 53.27 2wg3 s MET 382 Cb 0.09 -1.59 -0.07 0.00 2.01 0.00 0.00 34.83 35.26 2wg3 s MET 382 CO 0.52 -0.08 1.05 -0.51 -0.01 0.00 0.00 175.02 175.99 2wg3 s ASP 383 N 1.03 7.37 0.00 3.03 1.01 -1.26 -3.96 116.67 123.88 2wg3 s ASP 383 Ca -0.07 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.21 2wg3 s ASP 383 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2wg3 s ASP 383 CO -0.01 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.85 2wg3 n GLY 384 N 1.96 0.98 3.92 0.21 0.00 -1.26 -5.09 105.19 105.91 2wg3 n GLY 384 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2wg3 n GLY 384 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wg3 s LEU 385 N 0.00 3.31 -0.16 0.99 1.43 -1.25 -4.56 118.68 118.44 2wg3 s LEU 385 Ca 0.00 0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 2wg3 s LEU 385 Cb 0.00 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.44 2wg3 s LEU 385 CO 0.00 -0.98 0.31 -1.28 0.23 0.00 0.00 176.35 174.62 2wg3 h SER 386 N -0.09 0.25 0.00 2.29 0.87 -1.95 -3.49 113.55 111.44 2wg3 h SER 386 Ca -0.46 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.34 2wg3 h SER 386 Cb 1.25 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2wg3 h SER 386 CO 0.60 1.71 0.00 0.47 -0.53 0.00 0.00 176.83 179.08 2wg3 n ASP 387 N -3.89 0.00 -0.04 6.23 8.00 -1.26 -4.84 116.55 120.76 2wg3 n ASP 387 Ca -0.32 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.22 2wg3 n ASP 387 Cb 0.89 -0.30 -0.16 0.00 -0.02 0.00 0.00 41.12 41.54 2wg3 n ASP 387 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wg3 n PHE 388 N -2.00 0.00 -1.72 1.24 3.72 -1.26 -4.97 117.46 112.47 2wg3 n PHE 388 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2wg3 n PHE 388 Cb 0.00 -0.63 0.06 0.00 -0.94 0.00 0.00 39.48 37.97 2wg3 n PHE 388 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2wg3 n THR 389 N -2.38 4.46 -1.27 4.37 -2.24 -1.26 -2.42 114.28 113.54 2wg3 n THR 389 Ca -0.13 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 2wg3 n THR 389 Cb 0.73 -1.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.43 2wg3 n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg3 n GLY 390 N 0.93 1.05 3.23 3.38 0.00 0.49 -4.81 105.19 109.47 2wg3 n GLY 390 Ca 0.14 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 2wg3 n GLY 390 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wg3 s SER 391 N -2.66 1.74 -0.25 1.61 0.01 -1.01 -1.27 113.70 111.87 2wg3 s SER 391 Ca 0.00 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 2wg3 s SER 391 Cb 0.00 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 2wg3 s SER 391 CO 0.00 -0.30 0.37 -0.69 0.41 0.00 0.00 173.24 173.03 2wg3 s VAL 392 N -3.03 5.19 0.09 3.43 1.01 0.31 -2.08 120.40 125.32 2wg3 s VAL 392 Ca 0.14 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2wg3 s VAL 392 Cb 0.01 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2wg3 s VAL 392 CO 0.01 0.19 0.34 -0.76 0.00 0.00 0.00 175.10 174.88 2wg3 s LEU 393 N 1.85 4.31 -0.14 3.92 1.43 -0.30 -0.35 118.68 129.40 2wg3 s LEU 393 Ca 0.16 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2wg3 s LEU 393 Cb -0.15 -3.07 0.04 0.00 0.03 0.00 0.00 46.19 43.03 2wg3 s LEU 393 CO 0.09 0.13 -0.06 -0.60 0.23 0.00 0.00 176.35 176.14 2wg3 s ARG 394 N -2.29 1.42 0.21 1.70 3.52 -0.52 -1.60 118.95 121.39 2wg3 s ARG 394 Ca 0.36 -0.40 0.10 0.00 -0.13 0.00 0.00 55.73 55.66 2wg3 s ARG 394 Cb -0.13 -1.82 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 2wg3 s ARG 394 CO 0.22 -0.37 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.62 2wg3 s LEU 395 N 1.68 2.49 -0.37 -0.88 1.43 -0.38 -4.64 118.68 118.01 2wg3 s LEU 395 Ca 0.02 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.14 2wg3 s LEU 395 Cb -0.14 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.17 2wg3 s LEU 395 CO -0.08 0.01 0.15 -0.62 0.23 0.00 0.00 176.35 176.04 2wg3 s ASP 396 N -2.97 5.29 0.00 2.29 2.15 -0.23 -1.99 116.67 121.21 2wg3 s ASP 396 Ca 0.22 -1.49 0.28 0.00 0.43 0.00 0.00 52.55 51.99 2wg3 s ASP 396 Cb -0.06 -1.86 1.07 0.00 -0.30 0.00 0.00 42.92 41.78 2wg3 s ASP 396 CO 0.10 -0.42 1.79 1.33 -0.17 0.00 0.00 175.17 177.80 2wg3 n VAL 397 N 4.74 0.00 -1.38 1.11 0.24 -1.26 -0.94 118.33 120.84 2wg3 n VAL 397 Ca -0.09 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.34 61.95 2wg3 n VAL 397 Cb 0.43 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 2wg3 n VAL 397 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wg3 n ASP 398 N -1.34 6.35 -4.89 -1.34 8.00 -1.26 -4.52 116.55 117.55 2wg3 n ASP 398 Ca 0.09 -3.12 -0.29 0.00 0.71 0.00 0.00 54.79 52.18 2wg3 n ASP 398 Cb 0.31 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2wg3 n ASP 398 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2wg3 s THR 399 N -1.94 4.81 -0.87 -3.53 -4.23 -1.26 -4.92 115.64 103.70 2wg3 s THR 399 Ca 0.57 0.45 0.10 0.00 -1.18 0.00 0.00 61.69 61.63 2wg3 s THR 399 Cb 0.36 -3.86 0.28 0.00 1.34 0.00 0.00 72.50 70.62 2wg3 s THR 399 CO -0.18 -0.96 1.23 0.47 -0.54 0.00 0.00 174.62 174.64 2wg3 n ASP 400 N -2.45 2.84 -4.77 3.99 8.00 -1.26 -4.67 116.55 118.23 2wg3 n ASP 400 Ca 0.03 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.15 2wg3 n ASP 400 Cb 0.55 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 2wg3 n ASP 400 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wg3 s MET 401 N -1.00 4.44 -0.19 -1.24 -1.94 -1.26 -4.97 119.30 113.13 2wg3 s MET 401 Ca 0.21 1.65 0.06 0.00 -1.71 0.00 0.00 55.69 55.89 2wg3 s MET 401 Cb 0.11 -2.90 -0.22 0.00 2.01 0.00 0.00 34.83 33.84 2wg3 s MET 401 CO 0.15 0.07 0.07 0.00 -0.01 0.00 0.00 175.02 175.30 2wg3 h ASN 403 N 0.01 0.31 -3.26 0.00 7.08 -2.01 -3.43 115.58 114.29 2wg3 h ASN 403 Ca -0.51 -0.04 -0.68 0.00 -3.08 0.00 0.00 56.30 52.00 2wg3 h ASN 403 Cb 2.03 -0.08 -0.14 0.00 -2.08 0.00 0.00 38.32 38.05 2wg3 h ASN 403 CO -0.00 0.34 -0.61 0.54 -2.08 0.00 0.00 177.43 175.61 2wg3 s VAL 404 N -5.06 4.42 -0.53 6.14 0.11 -1.26 -5.02 120.40 119.20 2wg3 s VAL 404 Ca -0.07 -0.21 0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2wg3 s VAL 404 Cb 0.16 -2.86 0.07 0.00 -1.53 0.00 0.00 36.38 32.22 2wg3 s VAL 404 CO 0.73 0.60 1.29 1.55 -3.33 0.00 0.00 175.10 175.94 2wg3 h PRO 405 N 5.17 0.00 -2.95 1.54 0.13 -1.85 -3.42 132.00 130.62 2wg3 h PRO 405 Ca -0.51 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2wg3 h PRO 405 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2wg3 h PRO 405 CO 0.55 0.00 -0.08 1.52 -0.23 0.00 0.00 178.00 179.76 2wg3 s TYR 406 N -3.22 -0.30 0.41 1.56 -0.85 -1.26 -4.71 117.35 108.97 2wg3 s TYR 406 Ca 0.05 0.30 0.08 0.00 -0.52 0.00 0.00 57.07 56.97 2wg3 s TYR 406 Cb 0.12 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 2wg3 s TYR 406 CO 0.73 -0.58 0.36 -1.54 -1.52 0.00 0.00 175.55 173.00 2wg3 s SER 407 N -1.94 5.05 -0.24 -0.18 1.04 -0.11 -4.93 113.70 112.39 2wg3 s SER 407 Ca -0.06 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.54 2wg3 s SER 407 Cb -0.01 -0.61 -0.05 0.00 0.10 0.00 0.00 66.02 65.45 2wg3 s SER 407 CO -0.01 -0.62 0.15 -0.63 0.98 0.00 0.00 173.24 173.11 2wg3 s ILE 408 N -2.46 5.26 0.27 -1.02 -1.09 -1.26 -1.07 121.20 119.82 2wg3 s ILE 408 Ca 0.47 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.74 2wg3 s ILE 408 Cb -0.03 -3.45 -0.14 0.00 -1.58 0.00 0.00 42.46 37.26 2wg3 s ILE 408 CO 0.27 0.35 1.19 -2.65 -1.23 0.00 0.00 174.94 172.88 2wg3 n PRO 409 N 4.29 1.65 0.31 2.79 -0.02 -1.26 -4.86 135.00 137.90 2wg3 n PRO 409 Ca -0.15 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.09 2wg3 n PRO 409 Cb 0.52 -2.09 1.03 0.00 -0.02 0.00 0.00 33.50 32.94 2wg3 n PRO 409 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wg3 h ARG 410 N 2.92 0.00 0.00 -0.52 3.08 -1.99 -2.22 114.38 115.65 2wg3 h ARG 410 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2wg3 h ARG 410 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2wg3 h ARG 410 CO 0.66 0.01 -0.57 -1.13 -1.07 0.00 0.00 179.97 177.87 2wg3 n SER 411 N -3.49 0.58 -4.59 7.04 3.41 -1.26 -4.78 113.62 110.53 2wg3 n SER 411 Ca -0.03 -0.04 -0.46 0.00 -0.26 0.00 0.00 58.87 58.08 2wg3 n SER 411 Cb 0.09 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2wg3 n SER 411 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wg3 n ASN 412 N -1.82 1.41 0.21 4.04 4.13 -0.83 -4.13 115.26 118.27 2wg3 n ASN 412 Ca 0.04 1.16 0.14 0.00 1.68 0.00 0.00 54.58 57.60 2wg3 n ASN 412 Cb 0.39 -1.27 0.75 0.00 -1.54 0.00 0.00 39.78 38.11 2wg3 n ASN 412 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2wg3 h PRO 413 N 2.67 0.00 -0.19 3.52 0.13 -1.84 -2.41 132.00 133.88 2wg3 h PRO 413 Ca -0.41 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 2wg3 h PRO 413 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2wg3 h PRO 413 CO 0.65 0.00 -0.09 0.72 -0.23 0.00 0.00 178.00 179.05 2wg3 n HIS 414 N -4.21 0.64 -1.68 1.56 8.25 -1.26 -4.28 115.22 114.24 2wg3 n HIS 414 Ca 0.00 -1.21 -0.46 0.00 -0.26 0.00 0.00 57.72 55.79 2wg3 n HIS 414 Cb 0.23 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 2wg3 n HIS 414 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wg3 n PHE 415 N -1.01 2.40 -1.50 4.41 7.35 -0.91 -1.64 117.46 126.56 2wg3 n PHE 415 Ca 0.23 -0.11 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 2wg3 n PHE 415 Cb 0.85 -2.70 -0.02 0.00 0.35 0.00 0.00 39.48 37.95 2wg3 n PHE 415 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2wg3 n ASN 416 N 6.70 -3.56 -4.77 -2.13 4.05 -1.26 -5.01 115.26 109.28 2wg3 n ASN 416 Ca 0.21 0.13 -0.34 0.00 0.45 0.00 0.00 54.58 55.03 2wg3 n ASN 416 Cb 0.33 -2.07 0.03 0.00 1.23 0.00 0.00 39.78 39.30 2wg3 n ASN 416 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2wg3 s SER 417 N -2.84 5.32 -0.01 1.20 0.15 -0.65 -4.96 113.70 111.91 2wg3 s SER 417 Ca 0.00 2.06 0.17 0.00 0.70 0.00 0.00 55.95 58.88 2wg3 s SER 417 Cb 0.00 -2.56 -0.20 0.00 -1.71 0.00 0.00 66.02 61.55 2wg3 s SER 417 CO 0.00 -1.49 0.62 0.35 1.20 0.00 0.00 173.24 173.93 2wg3 n THR 418 N -2.03 0.00 -0.48 6.45 -2.24 -1.26 -4.68 114.28 110.03 2wg3 n THR 418 Ca 0.11 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2wg3 n THR 418 Cb 0.52 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2wg3 n THR 418 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2wg3 n ASN 419 N -1.57 0.47 -4.08 3.42 6.94 -1.26 -5.07 115.26 114.10 2wg3 n ASN 419 Ca 0.02 -0.96 -0.17 0.00 -0.02 0.00 0.00 54.58 53.45 2wg3 n ASN 419 Cb 0.31 0.02 -0.13 0.00 -2.36 0.00 0.00 39.78 37.63 2wg3 n ASN 419 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2wg3 s GLN 420 N -0.02 0.68 0.01 -3.83 0.74 -1.26 -5.12 119.66 110.85 2wg3 s GLN 420 Ca 0.00 -0.67 -0.30 0.00 0.05 0.00 0.00 55.36 54.44 2wg3 s GLN 420 Cb 0.00 -0.60 -0.07 0.00 1.10 0.00 0.00 33.01 33.44 2wg3 s GLN 420 CO 0.00 0.14 1.71 -1.25 -0.55 0.00 0.00 175.29 175.34 2wg3 s PRO 421 N -1.16 4.18 0.47 1.67 0.04 -1.26 -4.66 135.00 134.28 2wg3 s PRO 421 Ca -0.03 2.31 0.20 0.00 0.04 0.00 0.00 61.00 63.53 2wg3 s PRO 421 Cb -0.08 -3.88 1.17 0.00 0.04 0.00 0.00 34.50 31.75 2wg3 s PRO 421 CO 0.01 -0.82 2.00 -1.35 0.04 0.00 0.00 177.00 176.88 2wg3 h PRO 422 N 9.30 0.00 -0.48 0.56 0.11 -1.93 -2.92 132.00 136.64 2wg3 h PRO 422 Ca -0.42 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.83 2wg3 h PRO 422 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2wg3 h PRO 422 CO 0.94 0.18 0.36 0.93 -0.21 0.00 0.00 178.00 180.21 2wg3 h GLU 423 N 0.00 0.00 -6.16 1.05 3.07 -1.89 -3.42 114.58 107.23 2wg3 h GLU 423 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 2wg3 h GLU 423 Cb 0.38 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.22 2wg3 h GLU 423 CO 0.02 0.00 0.79 0.08 -1.40 0.00 0.00 179.01 178.50 2wg3 s VAL 424 N -4.95 4.61 -0.17 3.13 1.01 -1.10 -1.43 120.40 121.50 2wg3 s VAL 424 Ca -0.05 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.77 2wg3 s VAL 424 Cb 0.19 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 2wg3 s VAL 424 CO 0.70 -0.32 0.17 0.33 0.00 0.00 0.00 175.10 175.97 2wg3 n PHE 425 N 6.56 0.66 -3.91 5.22 7.35 0.53 -4.63 117.46 129.24 2wg3 n PHE 425 Ca 0.11 0.16 -0.10 0.00 -0.76 0.00 0.00 57.45 56.87 2wg3 n PHE 425 Cb 0.47 -1.09 -0.06 0.00 0.35 0.00 0.00 39.48 39.14 2wg3 n PHE 425 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wg3 s ALA 426 N -2.54 -0.24 0.17 3.13 0.00 -0.96 -4.23 121.76 117.08 2wg3 s ALA 426 Ca -0.23 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2wg3 s ALA 426 Cb 0.08 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 2wg3 s ALA 426 CO 0.73 -0.70 0.06 -3.38 0.00 0.00 0.00 175.76 172.46 2wg3 s HIS 427 N -3.95 1.07 0.00 0.00 -3.43 -1.26 -0.53 115.29 107.19 2wg3 s HIS 427 Ca 0.16 -1.20 0.00 0.00 -0.80 0.00 0.00 55.06 53.22 2wg3 s HIS 427 Cb 0.02 -0.59 0.00 0.00 -1.43 0.00 0.00 32.58 30.57 2wg3 s HIS 427 CO -0.00 -0.44 0.00 0.41 -2.00 0.00 0.00 174.74 172.71 2wg3 n GLY 428 N -0.20 1.24 3.74 -1.38 0.00 -0.39 -4.34 105.19 103.86 2wg3 n GLY 428 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2wg3 n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wg3 s LEU 429 N 0.00 4.46 0.00 0.99 1.43 -0.81 -4.98 118.68 119.78 2wg3 s LEU 429 Ca 0.00 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2wg3 s LEU 429 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2wg3 s LEU 429 CO 0.00 -0.36 0.00 1.41 0.23 0.00 0.00 176.35 177.63 2wg3 n HIS 430 N 2.17 0.00 -3.32 0.29 8.25 -1.26 -3.54 115.22 117.81 2wg3 n HIS 430 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 2wg3 n HIS 430 Cb 0.44 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.47 2wg3 n HIS 430 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wg3 n ASP 431 N -2.23 0.22 -4.75 0.41 4.64 -1.26 -0.42 116.55 113.16 2wg3 n ASP 431 Ca 0.00 -2.62 -0.40 0.00 -1.38 0.00 0.00 54.79 50.39 2wg3 n ASP 431 Cb 0.00 -0.61 -0.05 0.00 -1.04 0.00 0.00 41.12 39.42 2wg3 n ASP 431 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2wg3 s PRO 432 N -0.73 4.76 0.62 -0.67 0.04 -1.26 -3.79 135.00 133.97 2wg3 s PRO 432 Ca 0.34 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 2wg3 s PRO 432 Cb 0.10 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 31.49 2wg3 s PRO 432 CO -0.15 0.35 0.85 0.41 0.04 0.00 0.00 177.00 178.50 2wg3 n GLY 433 N 1.68 -0.37 3.58 0.56 0.00 -0.99 -4.69 105.19 104.95 2wg3 n GLY 433 Ca -0.00 -1.85 -0.49 0.00 0.00 0.00 0.00 46.02 43.68 2wg3 n GLY 433 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wg3 n ARG 434 N -2.70 1.15 -4.40 1.61 0.63 -0.70 -4.45 116.66 107.79 2wg3 n ARG 434 Ca 0.12 0.41 -0.34 0.00 -0.92 0.00 0.00 57.85 57.11 2wg3 n ARG 434 Cb 0.42 -1.89 -0.10 0.00 0.45 0.00 0.00 32.46 31.34 2wg3 n ARG 434 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wg3 s ALA 436 N -0.50 3.48 -0.38 0.00 0.00 0.40 -4.84 121.76 119.92 2wg3 s ALA 436 Ca 0.08 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 2wg3 s ALA 436 Cb -0.12 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.62 2wg3 s ALA 436 CO 0.02 -0.49 0.15 0.08 0.00 0.00 0.00 175.76 175.52 2wg3 s VAL 437 N 0.63 3.24 -0.36 0.00 1.01 -1.26 -0.45 120.40 123.21 2wg3 s VAL 437 Ca 0.59 -1.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.46 2wg3 s VAL 437 Cb -0.34 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2wg3 s VAL 437 CO 0.33 -0.53 0.91 -0.62 0.00 0.00 0.00 175.10 175.19 2wg3 s ASP 438 N 1.66 6.68 0.04 3.32 -1.08 0.12 -4.73 116.67 122.67 2wg3 s ASP 438 Ca 0.05 0.59 -0.05 0.00 -0.52 0.00 0.00 52.55 52.61 2wg3 s ASP 438 Cb -0.22 -2.46 -0.29 0.00 -1.46 0.00 0.00 42.92 38.49 2wg3 s ASP 438 CO -0.03 -0.83 0.99 0.03 0.52 0.00 0.00 175.17 175.84 2wg3 h ARG 439 N 8.44 0.30 -1.76 4.34 2.47 -1.89 -2.47 114.38 123.81 2wg3 h ARG 439 Ca -0.23 -0.51 -0.54 0.00 -1.26 0.00 0.00 59.98 57.44 2wg3 h ARG 439 Cb 1.08 0.19 -0.41 0.00 -1.65 0.00 0.00 29.97 29.17 2wg3 h ARG 439 CO 0.97 1.20 -0.83 0.72 0.56 0.00 0.00 179.97 182.60 2wg3 n HIS 440 N -3.52 2.91 -1.09 3.04 8.25 -1.26 -4.75 115.22 118.80 2wg3 n HIS 440 Ca -0.13 -3.45 -0.35 0.00 -0.26 0.00 0.00 57.72 53.54 2wg3 n HIS 440 Cb 1.04 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 31.87 2wg3 n HIS 440 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2wg3 n PRO 441 N -0.25 0.00 -0.13 -0.41 -0.02 -1.26 -4.89 135.00 128.04 2wg3 n PRO 441 Ca 0.30 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2wg3 n PRO 441 Cb 0.59 -0.90 0.02 0.00 -0.02 0.00 0.00 33.50 33.20 2wg3 n PRO 441 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2wg3 h THR 442 N -0.14 1.00 -2.96 3.45 2.02 -1.97 -3.39 112.91 110.93 2wg3 h THR 442 Ca -0.37 -0.15 -0.56 0.00 0.77 0.00 0.00 66.41 66.10 2wg3 h THR 442 Cb 1.28 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2wg3 h THR 442 CO 0.35 0.08 0.84 -0.62 0.37 0.00 0.00 175.52 176.54 2wg3 s ASP 443 N -5.48 6.96 0.14 4.18 -1.08 -1.26 -4.90 116.67 115.23 2wg3 s ASP 443 Ca -0.13 1.79 0.19 0.00 -0.52 0.00 0.00 52.55 53.89 2wg3 s ASP 443 Cb 0.12 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.85 2wg3 s ASP 443 CO 0.72 -0.70 1.60 2.30 0.52 0.00 0.00 175.17 179.61 2wg3 n ILE 444 N 5.06 0.90 1.68 4.11 -5.35 -1.26 -2.43 119.36 122.06 2wg3 n ILE 444 Ca 0.13 0.23 0.05 0.00 -0.27 0.00 0.00 62.75 62.89 2wg3 n ILE 444 Cb 0.45 -1.08 0.24 0.00 -1.74 0.00 0.00 39.64 37.51 2wg3 n ILE 444 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2wg3 n ASN 445 N -1.89 0.60 -3.85 7.28 3.02 -1.26 -4.82 115.26 114.33 2wg3 n ASN 445 Ca 0.03 -1.80 -0.26 0.00 -0.03 0.00 0.00 54.58 52.53 2wg3 n ASN 445 Cb 0.20 -0.06 -0.17 0.00 -0.61 0.00 0.00 39.78 39.14 2wg3 n ASN 445 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wg3 s ILE 446 N -1.88 0.78 0.09 2.41 1.01 -1.02 -4.55 121.20 118.04 2wg3 s ILE 446 Ca 0.17 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 2wg3 s ILE 446 Cb 0.08 -0.89 -0.08 0.00 0.01 0.00 0.00 42.46 41.59 2wg3 s ILE 446 CO 0.13 0.28 1.52 0.78 0.00 0.00 0.00 174.94 177.65 2wg3 h ASN 447 N 8.23 0.46 -5.02 3.58 4.21 -1.23 -3.41 115.58 122.40 2wg3 h ASN 447 Ca -0.25 -0.31 -0.10 0.00 1.21 0.00 0.00 56.30 56.85 2wg3 h ASN 447 Cb 1.13 -0.12 -0.18 0.00 -1.12 0.00 0.00 38.32 38.02 2wg3 h ASN 447 CO 0.35 0.66 -0.23 -0.22 -1.29 0.00 0.00 177.43 176.70 2wg3 s LEU 448 N -9.47 0.76 -0.05 1.61 2.96 -1.23 -4.68 118.68 108.57 2wg3 s LEU 448 Ca -0.14 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2wg3 s LEU 448 Cb 0.08 1.40 0.03 0.00 0.50 0.00 0.00 46.19 48.20 2wg3 s LEU 448 CO 0.75 -0.54 0.02 -0.89 -1.32 0.00 0.00 176.35 174.37 2wg3 s THR 449 N -1.93 0.13 -0.20 3.68 2.01 -0.93 -2.32 115.64 116.09 2wg3 s THR 449 Ca -0.09 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2wg3 s THR 449 Cb -0.03 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2wg3 s THR 449 CO 0.01 0.19 0.05 -0.63 -0.69 0.00 0.00 174.62 173.55 2wg3 s ILE 450 N 1.75 4.48 -0.08 1.82 1.01 -0.50 0.12 121.20 129.81 2wg3 s ILE 450 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2wg3 s ILE 450 Cb -0.13 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.32 2wg3 s ILE 450 CO -0.03 0.43 -0.16 -0.22 0.00 0.00 0.00 174.94 174.96 2wg3 s LEU 451 N 0.72 1.79 0.09 2.97 0.20 0.40 -0.03 118.68 124.84 2wg3 s LEU 451 Ca 0.02 -0.39 0.08 0.00 0.69 0.00 0.00 54.13 54.53 2wg3 s LEU 451 Cb -0.14 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.56 2wg3 s LEU 451 CO 0.02 0.07 -0.20 0.00 -0.29 0.00 0.00 176.35 175.95 2wg3 s SER 453 N -1.81 6.53 0.08 0.00 1.04 -1.26 -0.33 113.70 117.96 2wg3 s SER 453 Ca 0.05 1.66 -0.22 0.00 0.48 0.00 0.00 55.95 57.93 2wg3 s SER 453 Cb -0.10 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2wg3 s SER 453 CO 0.04 -0.65 0.52 -0.62 0.98 0.00 0.00 173.24 173.51 2wg3 s ASP 454 N -2.75 -0.44 -1.27 7.02 2.15 -1.26 -2.36 116.67 117.75 2wg3 s ASP 454 Ca 0.61 0.09 -0.07 0.00 0.43 0.00 0.00 52.55 53.61 2wg3 s ASP 454 Cb -0.11 0.51 0.17 0.00 -0.30 0.00 0.00 42.92 43.19 2wg3 s ASP 454 CO 0.27 -0.78 2.06 -1.20 -0.17 0.00 0.00 175.17 175.35 2wg3 n SER 455 N 0.18 6.61 0.00 -0.34 7.64 -1.25 -4.57 113.62 121.89 2wg3 n SER 455 Ca -0.18 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.52 2wg3 n SER 455 Cb 0.62 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2wg3 n SER 455 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wg3 n SER 462 N 2.51 0.05 -3.77 6.43 2.88 -1.26 -4.71 113.62 115.74 2wg3 n SER 462 Ca 0.49 -0.31 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 2wg3 n SER 462 Cb 0.30 0.40 -0.16 0.00 -0.75 0.00 0.00 64.21 64.00 2wg3 n SER 462 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wg3 s ALA 463 N -0.40 1.40 -0.30 -1.46 0.00 -1.26 -4.39 121.76 115.35 2wg3 s ALA 463 Ca 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 2wg3 s ALA 463 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 2wg3 s ALA 463 CO 0.00 -1.38 0.16 1.03 0.00 0.00 0.00 175.76 175.57 2wg3 s ARG 464 N 1.67 3.52 0.32 0.00 1.81 0.56 -0.89 118.95 125.94 2wg3 s ARG 464 Ca 0.03 -0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 53.42 2wg3 s ARG 464 Cb -0.17 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.70 2wg3 s ARG 464 CO -0.15 -0.35 0.54 -1.50 -0.68 0.00 0.00 175.30 173.17 2wg3 s ILE 465 N 1.66 5.09 -0.10 1.52 2.07 0.12 -0.94 121.20 130.62 2wg3 s ILE 465 Ca 0.06 -0.31 -0.04 0.00 -1.41 0.00 0.00 60.65 58.94 2wg3 s ILE 465 Cb -0.17 -3.82 0.05 0.00 0.13 0.00 0.00 42.46 38.66 2wg3 s ILE 465 CO 0.07 -0.47 0.22 -0.22 -1.91 0.00 0.00 174.94 172.64 2wg3 s LEU 466 N -4.04 0.18 -0.29 8.50 2.96 0.96 -1.64 118.68 125.32 2wg3 s LEU 466 Ca 0.41 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 2wg3 s LEU 466 Cb -0.10 0.60 0.08 0.00 0.50 0.00 0.00 46.19 47.27 2wg3 s LEU 466 CO 0.34 -0.20 0.03 -1.10 -1.32 0.00 0.00 176.35 174.10 2wg3 s GLN 467 N 1.74 1.23 -0.25 1.98 -0.21 -1.26 -1.41 119.66 121.48 2wg3 s GLN 467 Ca -0.04 -1.22 -0.29 0.00 0.02 0.00 0.00 55.36 53.82 2wg3 s GLN 467 Cb -0.11 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.37 2wg3 s GLN 467 CO -0.08 -0.82 1.32 0.42 -2.12 0.00 0.00 175.29 174.01 2wg3 s ILE 468 N 1.36 4.15 -0.03 1.08 -1.09 -0.98 -5.01 121.20 120.68 2wg3 s ILE 468 Ca 0.04 1.33 -0.01 0.00 -2.23 0.00 0.00 60.65 59.78 2wg3 s ILE 468 Cb -0.18 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 2wg3 s ILE 468 CO -0.13 -0.34 0.08 0.40 -1.23 0.00 0.00 174.94 173.71 2wg3 h ILE 469 N 5.82 0.00 0.00 2.92 1.08 -1.88 0.06 117.51 125.51 2wg3 h ILE 469 Ca -0.27 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 2wg3 h ILE 469 Cb 1.10 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2wg3 h ILE 469 CO 1.01 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 177.25 2wg3 n TYR 474 N -3.11 0.00 0.00 1.37 4.01 -1.26 -4.61 117.16 113.57 2wg3 n TYR 474 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wg3 n TYR 474 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2wg3 n TYR 474 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2wg3 n GLU 475 N 0.00 1.71 -4.29 -0.72 4.07 -1.26 -4.00 120.64 116.15 2wg3 n GLU 475 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 2wg3 n GLU 475 Cb 0.00 -0.89 -0.11 0.00 -0.06 0.00 0.00 31.44 30.38 2wg3 n GLU 475 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2wg3 s SER 476 N -1.81 2.30 0.28 4.31 1.04 -1.26 -4.71 113.70 113.85 2wg3 s SER 476 Ca 0.00 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.27 2wg3 s SER 476 Cb 0.00 -0.11 -0.11 0.00 0.10 0.00 0.00 66.02 65.90 2wg3 s SER 476 CO 0.00 -0.11 1.58 -1.61 0.98 0.00 0.00 173.24 174.07 2wg3 s GLU 477 N -2.84 4.15 0.55 4.02 2.02 -1.26 -4.87 118.70 120.46 2wg3 s GLU 477 Ca 0.13 2.53 -0.19 0.00 0.02 0.00 0.00 54.97 57.46 2wg3 s GLU 477 Cb -0.05 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 2wg3 s GLU 477 CO 0.05 -0.60 1.10 -1.25 0.02 0.00 0.00 175.26 174.57 2wg3 s PRO 478 N -0.32 3.37 -0.17 0.39 0.04 -1.26 -5.04 135.00 132.01 2wg3 s PRO 478 Ca 0.64 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 63.08 2wg3 s PRO 478 Cb -0.47 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2wg3 s PRO 478 CO 0.46 -0.81 0.12 -1.54 0.04 0.00 0.00 177.00 175.26 2wg3 s SER 479 N -2.01 6.16 0.01 6.66 1.04 -1.26 -4.52 113.70 119.77 2wg3 s SER 479 Ca 0.70 0.27 -0.32 0.00 0.48 0.00 0.00 55.95 57.08 2wg3 s SER 479 Cb -0.21 -2.05 -0.11 0.00 0.10 0.00 0.00 66.02 63.75 2wg3 s SER 479 CO 0.28 0.25 1.90 0.18 0.98 0.00 0.00 173.24 176.82 2wg3 n LEU 480 N 3.08 3.81 -4.77 2.42 4.77 -1.26 -4.91 117.00 120.14 2wg3 n LEU 480 Ca -0.17 0.95 -0.39 0.00 -0.03 0.00 0.00 56.01 56.37 2wg3 n LEU 480 Cb 0.53 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.10 2wg3 n LEU 480 CO 0.35 0.07 0.30 -0.76 -1.33 0.00 0.00 177.39 176.02 2wg3 s LEU 481 N 3.86 4.43 0.06 2.23 1.43 -0.65 -4.86 118.68 125.19 2wg3 s LEU 481 Ca 0.89 1.19 -0.23 0.00 -1.03 0.00 0.00 54.13 54.95 2wg3 s LEU 481 Cb -0.56 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 2wg3 s LEU 481 CO 0.45 0.12 0.69 -0.70 0.23 0.00 0.00 176.35 177.14 2wg3 s GLU 482 N -0.31 4.41 -0.30 1.70 2.56 -1.26 0.12 118.70 125.61 2wg3 s GLU 482 Ca 0.31 0.94 -0.24 0.00 0.00 0.00 0.00 54.97 55.98 2wg3 s GLU 482 Cb -0.19 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.64 2wg3 s GLU 482 CO 0.18 0.44 0.84 -0.06 -0.56 0.00 0.00 175.26 176.09 2wg3 s PHE 483 N -0.53 3.21 -0.33 5.30 0.08 -0.07 -4.95 117.98 120.69 2wg3 s PHE 483 Ca 0.34 0.90 -0.01 0.00 0.12 0.00 0.00 56.93 58.28 2wg3 s PHE 483 Cb -0.20 -3.27 0.11 0.00 -0.57 0.00 0.00 43.02 39.08 2wg3 s PHE 483 CO 0.21 -0.58 0.13 -1.59 -0.10 0.00 0.00 175.22 173.29 2wg3 s LYS 484 N 3.05 0.69 0.46 0.44 -2.85 -1.26 -4.68 119.74 115.59 2wg3 s LYS 484 Ca 0.35 -1.12 0.06 0.00 -1.00 0.00 0.00 55.97 54.25 2wg3 s LYS 484 Cb -0.14 -1.84 -0.02 0.00 -2.06 0.00 0.00 37.83 33.76 2wg3 s LYS 484 CO 0.12 -1.03 0.21 -1.25 0.10 0.00 0.00 175.35 173.50 2wg3 s PRO 485 N 1.49 2.23 0.00 1.78 0.04 -1.26 -5.22 135.00 134.06 2wg3 s PRO 485 Ca 0.11 -1.96 0.00 0.00 0.04 0.00 0.00 61.00 59.19 2wg3 s PRO 485 Cb -0.18 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2wg3 s PRO 485 CO -0.22 -0.27 0.68 -0.35 0.04 0.00 0.00 177.00 176.88 2wg3 n PRO 490 N -1.37 0.00 -2.21 0.56 -0.04 -1.26 -4.82 135.00 125.85 2wg3 n PRO 490 Ca -0.04 -0.33 -0.38 0.00 -0.04 0.00 0.00 63.50 62.71 2wg3 n PRO 490 Cb 0.65 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2wg3 n PRO 490 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wg3 s LEU 491 N 0.00 4.05 -0.09 1.53 1.43 -1.26 -2.73 118.68 121.60 2wg3 s LEU 491 Ca 0.00 2.37 0.13 0.00 -1.03 0.00 0.00 54.13 55.60 2wg3 s LEU 491 Cb 0.00 -4.17 -0.24 0.00 0.03 0.00 0.00 46.19 41.81 2wg3 s LEU 491 CO 0.00 -0.91 0.47 0.52 0.23 0.00 0.00 176.35 176.65 2wg3 n VAL 492 N -0.37 1.56 -3.36 -1.59 0.31 -0.66 -4.82 118.33 109.41 2wg3 n VAL 492 Ca 0.07 -0.80 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 2wg3 n VAL 492 Cb 0.47 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 2wg3 n VAL 492 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wg3 n GLY 493 N 1.65 -0.71 1.61 2.92 0.00 -1.23 -1.73 105.19 107.71 2wg3 n GLY 493 Ca -0.23 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 2wg3 n GLY 493 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg3 n GLY 494 N 0.00 2.54 3.47 -0.02 0.00 -0.71 -2.33 105.19 108.15 2wg3 n GLY 494 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 2wg3 n GLY 494 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wg3 s PHE 495 N -4.19 -0.34 -0.13 1.61 -0.71 -0.42 -3.83 117.98 109.98 2wg3 s PHE 495 Ca 0.13 0.05 -0.04 0.00 -1.04 0.00 0.00 56.93 56.03 2wg3 s PHE 495 Cb -0.01 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 2wg3 s PHE 495 CO 0.09 -0.88 0.04 0.08 -1.34 0.00 0.00 175.22 173.21 2wg3 s VAL 496 N -3.81 4.59 -0.40 -2.49 1.01 -1.26 -0.86 120.40 117.17 2wg3 s VAL 496 Ca 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2wg3 s VAL 496 Cb -0.01 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.40 2wg3 s VAL 496 CO -0.08 0.55 0.33 -0.47 0.00 0.00 0.00 175.10 175.43 2wg3 s TYR 497 N -0.41 3.22 -0.28 5.22 5.04 -0.96 -4.87 117.35 124.32 2wg3 s TYR 497 Ca 0.09 -0.48 0.12 0.00 -2.44 0.00 0.00 57.07 54.36 2wg3 s TYR 497 Cb -0.12 -2.66 0.47 0.00 0.35 0.00 0.00 41.96 40.00 2wg3 s TYR 497 CO 0.02 -0.59 1.16 0.54 -1.34 0.00 0.00 175.55 175.34 2wg3 n ARG 498 N 5.28 3.01 0.00 4.97 1.74 -1.26 0.14 116.66 130.53 2wg3 n ARG 498 Ca -0.10 -3.96 0.00 0.00 -0.77 0.00 0.00 57.85 53.02 2wg3 n ARG 498 Cb 0.47 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 2wg3 n ARG 498 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wg3 n GLY 499 N -0.67 -0.85 0.00 -0.13 0.00 -1.16 -4.76 105.19 97.63 2wg3 n GLY 499 Ca 0.32 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2wg3 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg3 h GLN 501 N 0.00 0.67 -4.76 0.00 -0.00 -1.92 -3.39 115.11 105.71 2wg3 h GLN 501 Ca 0.00 -0.04 -0.67 0.00 -0.00 0.00 0.00 58.65 57.94 2wg3 h GLN 501 Cb 0.37 -0.15 -0.20 0.00 0.00 0.00 0.00 27.48 27.49 2wg3 h GLN 501 CO 0.00 0.45 -0.52 0.45 0.00 0.00 0.00 178.83 179.21 2wg3 s SER 502 N -5.61 5.84 0.13 -0.69 0.15 -1.26 -4.78 113.70 107.49 2wg3 s SER 502 Ca -0.13 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 2wg3 s SER 502 Cb 0.16 -2.08 -0.07 0.00 -1.71 0.00 0.00 66.02 62.32 2wg3 s SER 502 CO 0.76 -0.20 1.35 -0.33 1.20 0.00 0.00 173.24 176.02 2wg3 h GLU 503 N 8.42 0.59 0.00 5.44 5.08 -1.94 -3.32 114.58 128.84 2wg3 h GLU 503 Ca -0.32 -0.51 -0.15 0.00 -1.00 0.00 0.00 59.36 57.38 2wg3 h GLU 503 Cb 1.16 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2wg3 h GLU 503 CO 0.62 1.13 -0.70 0.07 -1.00 0.00 0.00 179.01 179.13 2wg3 h ARG 504 N 0.39 0.00 0.00 2.33 0.11 -1.97 -3.20 114.38 112.04 2wg3 h ARG 504 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2wg3 h ARG 504 Cb 1.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.49 2wg3 h ARG 504 CO 0.15 0.70 -0.07 1.25 0.10 0.00 0.00 179.97 182.10 2wg3 h LEU 505 N 0.00 0.00 -8.91 0.08 5.85 -1.97 -3.48 115.31 106.89 2wg3 h LEU 505 Ca -0.01 -0.01 -0.72 0.00 0.84 0.00 0.00 57.88 57.99 2wg3 h LEU 505 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2wg3 h LEU 505 CO 0.09 0.00 1.07 0.00 -0.34 0.00 0.00 178.44 179.27 2wg3 n TYR 506 N -2.83 1.88 -0.28 1.25 9.36 -1.21 -1.55 117.16 123.79 2wg3 n TYR 506 Ca 0.04 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.73 2wg3 n TYR 506 Cb 0.50 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 2wg3 n TYR 506 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wg3 n GLY 507 N 5.07 0.77 3.75 2.98 0.00 0.12 -5.03 105.19 112.85 2wg3 n GLY 507 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 2wg3 n GLY 507 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wg3 s SER 508 N -2.94 7.49 -0.31 1.61 0.01 -0.60 -4.80 113.70 114.17 2wg3 s SER 508 Ca 0.00 2.06 -0.22 0.00 1.31 0.00 0.00 55.95 59.10 2wg3 s SER 508 Cb 0.00 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 2wg3 s SER 508 CO 0.00 0.03 0.73 -0.31 0.41 0.00 0.00 173.24 174.10 2wg3 s TYR 509 N -1.09 3.20 -0.18 2.43 1.51 -0.74 -2.26 117.35 120.22 2wg3 s TYR 509 Ca 0.43 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 57.16 2wg3 s TYR 509 Cb -0.28 -3.16 -0.02 0.00 -0.11 0.00 0.00 41.96 38.39 2wg3 s TYR 509 CO 0.35 -0.55 -0.03 0.08 -1.11 0.00 0.00 175.55 174.29 2wg3 s VAL 510 N 2.85 3.70 0.06 0.71 1.01 -0.04 -0.41 120.40 128.29 2wg3 s VAL 510 Ca 0.30 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2wg3 s VAL 510 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2wg3 s VAL 510 CO 0.13 0.45 -0.19 -0.36 0.00 0.00 0.00 175.10 175.13 2wg3 s PHE 511 N 0.86 2.53 -0.01 5.22 0.40 0.44 -1.30 117.98 126.13 2wg3 s PHE 511 Ca -0.00 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 2wg3 s PHE 511 Cb -0.15 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 41.95 2wg3 s PHE 511 CO 0.02 0.27 -0.08 0.20 0.70 0.00 0.00 175.22 176.33 2wg3 s GLY 512 N -1.58 0.41 0.50 4.36 0.00 -0.98 -0.18 107.32 109.84 2wg3 s GLY 512 Ca 0.15 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.61 2wg3 s GLY 512 CO 0.06 -0.19 0.69 0.51 0.00 0.00 0.00 173.10 174.17 2wg3 s ASP 513 N -0.04 5.39 0.52 1.64 -4.77 -0.73 -1.65 116.67 117.03 2wg3 s ASP 513 Ca 0.01 -0.29 0.18 0.00 -3.30 0.00 0.00 52.55 49.14 2wg3 s ASP 513 Cb -0.05 -0.63 1.30 0.00 -1.09 0.00 0.00 42.92 42.45 2wg3 s ASP 513 CO -0.00 -1.02 2.13 0.08 0.70 0.00 0.00 175.17 177.06 2wg3 h ARG 514 N 0.31 0.00 -0.03 2.11 0.11 -1.78 -1.15 114.38 113.95 2wg3 h ARG 514 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2wg3 h ARG 514 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2wg3 h ARG 514 CO 0.47 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.63 2wg3 n ASN 515 N -4.50 0.96 0.00 0.08 3.02 -1.26 -0.02 115.26 113.53 2wg3 n ASN 515 Ca -0.01 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 2wg3 n ASN 515 Cb 0.17 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 2wg3 n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wg3 n GLY 516 N 1.09 0.90 3.65 7.41 0.00 -0.43 -4.30 105.19 113.50 2wg3 n GLY 516 Ca 0.20 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2wg3 n GLY 516 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wg3 s ASN 517 N -2.25 6.65 0.20 1.61 0.01 -1.26 -4.87 114.94 115.03 2wg3 s ASN 517 Ca 0.00 0.80 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2wg3 s ASN 517 Cb 0.00 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 2wg3 s ASN 517 CO 0.00 -0.30 0.12 -0.36 -1.51 0.00 0.00 177.10 175.05 2wg3 s PHE 518 N 2.08 3.05 0.06 2.20 0.08 -1.26 -1.77 117.98 122.42 2wg3 s PHE 518 Ca 0.28 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 2wg3 s PHE 518 Cb -0.16 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 2wg3 s PHE 518 CO 0.10 0.53 0.27 -0.48 -0.10 0.00 0.00 175.22 175.53 2wg3 s LEU 519 N -3.32 1.04 -0.06 -0.37 0.05 0.75 -2.47 118.68 114.29 2wg3 s LEU 519 Ca 0.31 -0.35 0.03 0.00 0.05 0.00 0.00 54.13 54.17 2wg3 s LEU 519 Cb -0.09 1.27 -0.02 0.00 -2.05 0.00 0.00 46.19 45.29 2wg3 s LEU 519 CO 0.23 -0.66 -0.13 -0.89 -0.55 0.00 0.00 176.35 174.34 2wg3 s THR 520 N -3.04 3.13 -0.04 5.48 2.01 0.29 -0.42 115.64 123.06 2wg3 s THR 520 Ca -0.02 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2wg3 s THR 520 Cb 0.01 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 2wg3 s THR 520 CO -0.06 0.58 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.50 2wg3 s LEU 521 N -0.60 2.44 -0.15 4.42 1.43 0.46 -2.03 118.68 124.65 2wg3 s LEU 521 Ca 0.09 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 2wg3 s LEU 521 Cb -0.11 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.68 2wg3 s LEU 521 CO 0.01 0.33 0.43 -1.10 0.23 0.00 0.00 176.35 176.25 2wg3 s GLN 522 N -0.64 0.54 0.36 1.70 -0.21 -0.96 -1.79 119.66 118.66 2wg3 s GLN 522 Ca 0.10 0.53 -0.05 0.00 0.02 0.00 0.00 55.36 55.96 2wg3 s GLN 522 Cb -0.11 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 34.12 2wg3 s GLN 522 CO 0.00 -0.08 0.63 -1.14 -2.12 0.00 0.00 175.29 172.59 2wg3 s GLN 523 N 0.07 3.61 0.00 2.91 0.74 -1.26 -2.31 119.66 123.42 2wg3 s GLN 523 Ca -0.01 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.46 2wg3 s GLN 523 Cb -0.03 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.53 2wg3 s GLN 523 CO 0.01 0.08 0.00 1.04 -0.55 0.00 0.00 175.29 175.87 2wg3 n GLN 529 N -1.41 0.00 -4.18 1.67 1.13 -1.26 -5.05 117.38 108.29 2wg3 n GLN 529 Ca -0.01 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.87 2wg3 n GLN 529 Cb 0.55 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.77 2wg3 n GLN 529 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2wg3 s TRP 530 N 0.00 1.09 0.05 1.08 0.52 -1.26 -5.15 118.94 115.27 2wg3 s TRP 530 Ca 0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 2wg3 s TRP 530 Cb 0.00 -0.63 -0.03 0.00 -1.15 0.00 0.00 33.47 31.67 2wg3 s TRP 530 CO 0.00 0.02 0.02 1.14 0.02 0.00 0.00 176.95 178.15 2wg3 s GLN 531 N -1.58 0.62 -0.13 4.98 -2.07 -0.98 -5.00 119.66 115.50 2wg3 s GLN 531 Ca -0.03 -1.08 0.02 0.00 -1.82 0.00 0.00 55.36 52.45 2wg3 s GLN 531 Cb -0.09 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2wg3 s GLN 531 CO 0.02 -0.13 -0.19 -2.00 -1.32 0.00 0.00 175.29 171.66 2wg3 s GLU 532 N -3.58 2.73 0.26 9.60 2.12 -1.26 -2.26 118.70 126.31 2wg3 s GLU 532 Ca 0.04 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.65 2wg3 s GLU 532 Cb 0.05 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 2wg3 s GLU 532 CO -0.09 -0.06 0.03 -1.59 -0.54 0.00 0.00 175.26 173.01 2wg3 s LYS 533 N 0.94 1.43 0.49 4.30 -2.85 -0.86 -4.97 119.74 118.21 2wg3 s LYS 533 Ca -0.05 -1.75 -0.18 0.00 -1.00 0.00 0.00 55.97 52.98 2wg3 s LYS 533 Cb -0.15 -0.64 -0.09 0.00 -2.06 0.00 0.00 37.83 34.89 2wg3 s LYS 533 CO -0.03 -0.14 0.98 -2.14 0.10 0.00 0.00 175.35 174.11 2wg3 s PRO 534 N -3.89 4.03 -0.28 1.78 0.02 -1.26 -0.54 135.00 134.85 2wg3 s PRO 534 Ca 0.32 1.04 -0.01 0.00 0.02 0.00 0.00 61.00 62.36 2wg3 s PRO 534 Cb 0.07 -2.15 0.04 0.00 0.02 0.00 0.00 34.50 32.48 2wg3 s PRO 534 CO 0.11 -0.21 -0.03 -1.17 -0.33 0.00 0.00 177.00 175.38 2wg3 s LEU 535 N -3.74 3.66 0.22 -5.54 0.20 -1.03 -4.71 118.68 107.75 2wg3 s LEU 535 Ca 0.60 -1.17 -0.30 0.00 0.69 0.00 0.00 54.13 53.96 2wg3 s LEU 535 Cb -0.10 -1.69 -0.08 0.00 -0.43 0.00 0.00 46.19 43.89 2wg3 s LEU 535 CO 0.24 -0.22 1.03 0.00 -0.29 0.00 0.00 176.35 177.11 2wg3 s LEU 537 N -0.95 0.39 0.00 0.00 1.98 -1.26 -1.30 118.68 117.55 2wg3 s LEU 537 Ca 0.45 -1.63 -0.05 0.00 -2.89 0.00 0.00 54.13 50.01 2wg3 s LEU 537 Cb -0.28 0.05 0.07 0.00 0.66 0.00 0.00 46.19 46.68 2wg3 s LEU 537 CO 0.35 -0.33 0.28 0.61 -1.89 0.00 0.00 176.35 175.37 2wg3 n GLY 538 N 4.51 -2.11 3.16 7.98 0.00 0.13 -1.44 105.19 117.42 2wg3 n GLY 538 Ca 0.07 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 2wg3 n GLY 538 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wg3 s THR 539 N -1.55 0.61 1.08 2.61 -4.23 -1.23 -3.52 115.64 109.43 2wg3 s THR 539 Ca 0.17 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 2wg3 s THR 539 Cb -0.01 -1.69 0.07 0.00 1.34 0.00 0.00 72.50 72.20 2wg3 s THR 539 CO 0.13 -0.86 -0.04 -1.20 -0.54 0.00 0.00 174.62 172.11 2wg3 n SER 540 N -0.03 -2.44 0.00 3.99 7.64 -1.24 -3.25 113.62 118.29 2wg3 n SER 540 Ca -0.12 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2wg3 n SER 540 Cb 0.61 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2wg3 n SER 540 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wg3 n GLY 541 N 2.06 2.97 0.00 0.23 0.00 -1.26 -4.76 105.19 104.43 2wg3 n GLY 541 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wg3 n GLY 541 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wg3 n SER 542 N 0.28 0.00 -1.75 1.61 2.88 -1.24 -4.99 113.62 110.40 2wg3 n SER 542 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wg3 n SER 542 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wg3 n SER 542 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wg3 s ARG 544 N 1.10 3.51 1.55 0.00 0.52 -1.26 -4.26 118.95 120.11 2wg3 s ARG 544 Ca 0.00 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 2wg3 s ARG 544 Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 2wg3 s ARG 544 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.01 2wg3 n GLY 545 N 0.15 -1.54 3.37 -3.53 0.00 -1.26 -3.47 105.19 98.91 2wg3 n GLY 545 Ca 0.10 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 2wg3 n GLY 545 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wg3 s TYR 546 N 0.00 -0.41 0.36 1.61 1.13 -1.26 -3.96 117.35 114.82 2wg3 s TYR 546 Ca 0.00 0.69 -0.28 0.00 -1.41 0.00 0.00 57.07 56.07 2wg3 s TYR 546 Cb 0.00 0.24 -0.11 0.00 -1.10 0.00 0.00 41.96 40.99 2wg3 s TYR 546 CO 0.00 -0.48 1.51 0.34 -2.51 0.00 0.00 175.55 174.40 2wg3 n PHE 547 N 1.18 2.95 -3.50 -3.49 7.35 -0.52 -4.70 117.46 116.73 2wg3 n PHE 547 Ca -0.20 0.41 -0.26 0.00 -0.76 0.00 0.00 57.45 56.64 2wg3 n PHE 547 Cb 0.56 -2.54 -0.14 0.00 0.35 0.00 0.00 39.48 37.71 2wg3 n PHE 547 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2wg3 s SER 548 N -0.00 3.05 0.00 -2.13 1.04 -1.26 -4.87 113.70 109.53 2wg3 s SER 548 Ca 0.55 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2wg3 s SER 548 Cb -0.48 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2wg3 s SER 548 CO 0.61 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2wg3 n GLY 549 N 5.23 -1.11 3.55 7.32 0.00 -1.26 -5.01 105.19 113.91 2wg3 n GLY 549 Ca -0.05 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2wg3 n GLY 549 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wg3 s HIS 550 N -2.05 2.84 -0.12 1.61 3.76 0.68 -4.14 115.29 117.87 2wg3 s HIS 550 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 2wg3 s HIS 550 Cb 0.00 -4.06 -0.04 0.00 1.11 0.00 0.00 32.58 29.59 2wg3 s HIS 550 CO 0.00 -1.25 1.51 0.42 -0.85 0.00 0.00 174.74 174.57 2wg3 s ILE 551 N 3.94 3.84 -0.35 0.60 -1.09 0.97 -1.92 121.20 127.19 2wg3 s ILE 551 Ca 0.35 1.01 0.22 0.00 -2.23 0.00 0.00 60.65 60.00 2wg3 s ILE 551 Cb -0.11 -3.68 -0.26 0.00 -1.58 0.00 0.00 42.46 36.83 2wg3 s ILE 551 CO 0.23 -0.12 0.70 0.18 -1.23 0.00 0.00 174.94 174.70 2wg3 n LEU 552 N 7.13 0.38 0.00 2.97 4.77 0.13 -4.65 117.00 127.73 2wg3 n LEU 552 Ca 0.16 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2wg3 n LEU 552 Cb 0.44 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2wg3 n LEU 552 CO 0.60 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2wg3 n GLY 553 N 1.33 -1.01 3.38 -0.72 0.00 -1.17 -4.75 105.19 102.25 2wg3 n GLY 553 Ca -0.01 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 2wg3 n GLY 553 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg3 s PHE 554 N -3.00 1.66 0.12 1.61 0.08 -1.26 -1.31 117.98 115.89 2wg3 s PHE 554 Ca 0.00 -1.29 -0.15 0.00 0.12 0.00 0.00 56.93 55.61 2wg3 s PHE 554 Cb 0.00 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 2wg3 s PHE 554 CO 0.00 -0.40 0.36 0.20 -0.10 0.00 0.00 175.22 175.28 2wg3 s GLY 555 N -3.42 -0.21 -0.04 4.36 0.00 -0.48 -1.74 107.32 105.78 2wg3 s GLY 555 Ca 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 2wg3 s GLY 555 CO 0.16 -0.39 0.10 1.85 0.00 0.00 0.00 173.10 174.82 2wg3 s GLU 556 N -3.81 0.07 0.47 2.90 2.12 -1.02 -1.29 118.70 118.14 2wg3 s GLU 556 Ca 0.03 0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.65 2wg3 s GLU 556 Cb 0.02 -0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.36 2wg3 s GLU 556 CO -0.12 -0.09 0.65 0.16 -0.54 0.00 0.00 175.26 175.32 2wg3 s ASP 557 N 0.63 5.48 0.50 -1.70 1.47 -0.61 -3.02 116.67 119.41 2wg3 s ASP 557 Ca -0.05 -0.39 0.19 0.00 1.18 0.00 0.00 52.55 53.49 2wg3 s ASP 557 Cb -0.07 -0.57 1.25 0.00 -0.34 0.00 0.00 42.92 43.19 2wg3 s ASP 557 CO -0.03 -0.94 2.02 -0.08 0.68 0.00 0.00 175.17 176.83 2wg3 h GLU 558 N 0.44 0.13 -0.08 2.11 4.81 -1.88 0.16 114.58 120.27 2wg3 h GLU 558 Ca -0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2wg3 h GLU 558 Cb 1.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2wg3 h GLU 558 CO 0.46 0.09 0.00 1.28 -0.73 0.00 0.00 179.01 180.11 2wg3 n LEU 559 N -4.44 1.84 0.00 1.64 4.77 -1.26 -4.95 117.00 114.60 2wg3 n LEU 559 Ca 0.07 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2wg3 n LEU 559 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wg3 n LEU 559 CO 0.35 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2wg3 n GLY 560 N 1.20 0.81 3.76 -0.72 0.00 0.57 -4.23 105.19 106.58 2wg3 n GLY 560 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2wg3 n GLY 560 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wg3 s GLU 561 N -0.34 3.07 0.26 1.61 0.41 -1.26 -2.97 118.70 119.48 2wg3 s GLU 561 Ca 0.00 1.68 0.12 0.00 -0.41 0.00 0.00 54.97 56.36 2wg3 s GLU 561 Cb 0.00 -1.96 -0.05 0.00 -1.78 0.00 0.00 34.13 30.34 2wg3 s GLU 561 CO 0.00 -1.09 -0.20 0.14 -0.49 0.00 0.00 175.26 173.62 2wg3 s VAL 562 N -1.77 2.50 0.04 2.63 -7.23 -1.26 -1.57 120.40 113.73 2wg3 s VAL 562 Ca 0.74 -2.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 2wg3 s VAL 562 Cb -0.26 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2wg3 s VAL 562 CO 0.32 -0.34 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.43 2wg3 s TYR 563 N -2.32 0.42 -0.02 2.82 2.02 -0.41 -1.07 117.35 118.79 2wg3 s TYR 563 Ca 0.28 -0.86 0.07 0.00 -0.37 0.00 0.00 57.07 56.20 2wg3 s TYR 563 Cb -0.06 -0.31 -0.02 0.00 -0.40 0.00 0.00 41.96 41.17 2wg3 s TYR 563 CO 0.14 -0.30 -0.25 0.42 -1.57 0.00 0.00 175.55 173.99 2wg3 s ILE 564 N -2.96 1.94 -0.15 2.71 1.01 -0.45 -1.39 121.20 121.92 2wg3 s ILE 564 Ca -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 2wg3 s ILE 564 Cb 0.01 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2wg3 s ILE 564 CO -0.06 0.55 0.03 -0.76 0.00 0.00 0.00 174.94 174.70 2wg3 s LEU 565 N -0.54 3.68 0.27 2.97 1.43 -0.42 -1.14 118.68 124.92 2wg3 s LEU 565 Ca 0.08 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2wg3 s LEU 565 Cb -0.10 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2wg3 s LEU 565 CO -0.01 0.23 0.32 -0.94 0.23 0.00 0.00 176.35 176.19 2wg3 s SER 566 N -0.01 0.58 -0.07 2.29 1.04 -0.34 0.19 113.70 117.38 2wg3 s SER 566 Ca 0.04 -1.39 -0.30 0.00 0.48 0.00 0.00 55.95 54.79 2wg3 s SER 566 Cb -0.12 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.62 2wg3 s SER 566 CO 0.01 -1.06 0.83 -0.55 0.98 0.00 0.00 173.24 173.45 2wg3 s SER 567 N -3.19 -0.50 0.17 7.02 0.15 -0.81 -0.22 113.70 116.32 2wg3 s SER 567 Ca 0.34 0.43 0.24 0.00 0.70 0.00 0.00 55.95 57.65 2wg3 s SER 567 Cb 0.03 0.43 0.91 0.00 -1.71 0.00 0.00 66.02 65.67 2wg3 s SER 567 CO 0.16 -0.54 1.73 -1.54 1.20 0.00 0.00 173.24 174.25 2wg3 n SER 568 N 0.55 0.53 -2.36 5.45 3.41 -1.26 -0.23 113.62 119.70 2wg3 n SER 568 Ca -0.14 0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 59.01 2wg3 n SER 568 Cb 0.59 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 2wg3 n SER 568 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wg3 n LYS 569 N -2.04 1.74 -4.01 4.33 5.02 -1.26 -4.77 118.16 117.17 2wg3 n LYS 569 Ca 0.04 -0.56 -0.23 0.00 -2.02 0.00 0.00 58.31 55.54 2wg3 n LYS 569 Cb 0.30 0.16 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 2wg3 n LYS 569 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wg3 s SER 570 N -1.42 6.07 0.06 4.39 1.04 -1.26 -4.63 113.70 117.94 2wg3 s SER 570 Ca 0.00 0.00 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 2wg3 s SER 570 Cb 0.00 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.40 2wg3 s SER 570 CO 0.00 -0.02 0.53 0.23 0.98 0.00 0.00 173.24 174.96 2wg3 n MET 571 N -1.05 -0.13 0.07 4.02 2.81 -1.26 -1.55 117.12 120.03 2wg3 n MET 571 Ca -0.08 0.52 -0.12 0.00 -1.81 0.00 0.00 57.70 56.22 2wg3 n MET 571 Cb 0.56 -0.77 -0.05 0.00 -0.71 0.00 0.00 33.22 32.25 2wg3 n MET 571 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2wg3 h THR 572 N 0.00 0.45 -0.68 2.03 2.02 -1.90 -2.33 112.91 112.49 2wg3 h THR 572 Ca 0.07 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.02 2wg3 h THR 572 Cb 0.16 0.45 -0.14 0.00 -1.74 0.00 0.00 68.15 66.88 2wg3 h THR 572 CO -0.33 0.00 0.29 0.00 0.37 0.00 0.00 175.52 175.85 2wg3 n GLN 573 N -5.36 3.21 -2.94 6.66 3.00 -0.60 -4.86 117.38 116.50 2wg3 n GLN 573 Ca -0.05 -2.66 -0.43 0.00 -0.01 0.00 0.00 57.00 53.85 2wg3 n GLN 573 Cb 0.28 -2.09 -0.05 0.00 0.00 0.00 0.00 30.24 28.38 2wg3 n GLN 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2wg3 s THR 574 N -2.69 4.55 -0.39 5.09 2.01 -0.88 -4.81 115.64 118.52 2wg3 s THR 574 Ca 0.48 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.68 2wg3 s THR 574 Cb 0.39 -4.45 -0.13 0.00 0.01 0.00 0.00 72.50 68.32 2wg3 s THR 574 CO 0.12 -0.98 0.41 1.41 -0.69 0.00 0.00 174.62 174.88 2wg3 n HIS 575 N 7.02 0.00 -2.62 4.92 8.25 -1.26 -2.16 115.22 129.38 2wg3 n HIS 575 Ca -0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2wg3 n HIS 575 Cb 0.47 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.53 2wg3 n HIS 575 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wg3 n ASN 576 N -1.41 3.24 -4.77 0.41 5.15 -1.21 -4.05 115.26 112.63 2wg3 n ASN 576 Ca 0.01 -3.29 -0.34 0.00 -0.60 0.00 0.00 54.58 50.35 2wg3 n ASN 576 Cb 0.20 -0.50 0.03 0.00 -0.53 0.00 0.00 39.78 38.97 2wg3 n ASN 576 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2wg3 s GLY 577 N -3.32 2.46 0.03 8.20 0.00 -0.25 -4.38 107.32 110.07 2wg3 s GLY 577 Ca 0.40 0.75 0.07 0.00 0.00 0.00 0.00 44.72 45.93 2wg3 s GLY 577 CO -0.09 1.12 -0.19 0.54 0.00 0.00 0.00 173.10 174.47 2wg3 s LYS 578 N -3.61 1.31 -0.19 2.90 1.02 0.69 -1.81 119.74 120.05 2wg3 s LYS 578 Ca 0.71 -0.86 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 2wg3 s LYS 578 Cb -0.24 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 2wg3 s LYS 578 CO 0.34 0.36 0.08 -1.17 -0.92 0.00 0.00 175.35 174.03 2wg3 s LEU 579 N -1.04 3.85 -0.13 3.17 2.96 -0.43 -1.19 118.68 125.86 2wg3 s LEU 579 Ca 0.06 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2wg3 s LEU 579 Cb -0.08 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.64 2wg3 s LEU 579 CO 0.01 0.15 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.70 2wg3 s TYR 580 N 0.53 2.35 0.12 5.38 2.02 -0.29 0.10 117.35 127.57 2wg3 s TYR 580 Ca 0.04 -1.20 -0.29 0.00 -0.37 0.00 0.00 57.07 55.25 2wg3 s TYR 580 Cb -0.13 -1.65 -0.06 0.00 -0.40 0.00 0.00 41.96 39.72 2wg3 s TYR 580 CO 0.01 -0.58 0.93 0.21 -1.57 0.00 0.00 175.55 174.54 2wg3 s LYS 581 N 1.00 4.69 0.01 -0.62 2.20 0.10 -1.34 119.74 125.79 2wg3 s LYS 581 Ca -0.04 1.40 -0.21 0.00 -0.36 0.00 0.00 55.97 56.75 2wg3 s LYS 581 Cb -0.15 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2wg3 s LYS 581 CO -0.04 0.28 0.63 0.42 -0.36 0.00 0.00 175.35 176.28 2wg3 s ILE 582 N -0.23 4.85 0.01 5.43 1.01 -0.23 -1.33 121.20 130.71 2wg3 s ILE 582 Ca 0.45 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.42 2wg3 s ILE 582 Cb -0.23 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 2wg3 s ILE 582 CO 0.29 0.42 -0.03 -0.69 0.00 0.00 0.00 174.94 174.94 2wg3 s VAL 583 N -0.25 0.16 -0.47 2.92 1.01 0.44 -4.59 120.40 119.63 2wg3 s VAL 583 Ca 0.32 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2wg3 s VAL 583 Cb -0.19 -0.20 0.07 0.00 0.00 0.00 0.00 36.38 36.07 2wg3 s VAL 583 CO 0.18 -0.16 0.38 -0.62 0.00 0.00 0.00 175.10 174.89 2wg3 s ASP 584 N -0.58 6.09 0.00 3.32 -1.08 -1.26 -0.80 116.67 122.35 2wg3 s ASP 584 Ca -0.05 -1.34 0.14 0.00 -0.52 0.00 0.00 52.55 50.77 2wg3 s ASP 584 Cb -0.04 -2.16 0.60 0.00 -1.46 0.00 0.00 42.92 39.86 2wg3 s ASP 584 CO -0.00 -0.63 1.43 -0.81 0.52 0.00 0.00 175.17 175.67 2wg3 n PRO 585 N 5.17 0.03 0.15 4.34 -0.04 -1.26 -1.59 135.00 141.79 2wg3 n PRO 585 Ca -0.12 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2wg3 n PRO 585 Cb 0.44 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.78 2wg3 n PRO 585 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wg3 h LYS 586 N 0.00 0.00 -6.16 0.54 1.57 -1.93 -3.46 116.57 107.13 2wg3 h LYS 586 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2wg3 h LYS 586 Cb 0.22 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.41 2wg3 h LYS 586 CO 0.00 0.00 -0.69 1.03 -0.57 0.00 0.00 179.45 179.22 2wg3 s ARG 587 N -3.20 1.99 0.45 3.15 1.81 -0.62 -5.11 118.95 117.41 2wg3 s ARG 587 Ca 0.08 -1.64 -0.25 0.00 -1.72 0.00 0.00 55.73 52.20 2wg3 s ARG 587 Cb 0.10 -1.94 -0.08 0.00 -0.45 0.00 0.00 34.95 32.57 2wg3 s ARG 587 CO 0.58 0.30 1.41 -2.14 -0.68 0.00 0.00 175.30 174.77 2wg3 s PRO 588 N -3.61 3.71 0.22 3.54 0.02 -1.26 -4.86 135.00 132.77 2wg3 s PRO 588 Ca 0.31 2.37 -0.08 0.00 0.02 0.00 0.00 61.00 63.63 2wg3 s PRO 588 Cb -0.04 -2.66 0.23 0.00 0.02 0.00 0.00 34.50 32.05 2wg3 s PRO 588 CO 0.18 -0.78 1.87 1.25 -0.33 0.00 0.00 177.00 179.19 2wg3 h LEU 589 N 2.35 0.87 -6.63 -5.54 6.46 -1.95 -3.22 115.31 107.64 2wg3 h LEU 589 Ca -0.51 -0.01 -0.60 0.00 -0.12 0.00 0.00 57.88 56.65 2wg3 h LEU 589 Cb 1.26 -0.20 -0.40 0.00 -0.73 0.00 0.00 40.66 40.60 2wg3 h LEU 589 CO 0.61 0.60 -0.78 0.80 -0.62 0.00 0.00 178.44 179.06 2wg3 n MET 590 N -4.58 1.17 -0.77 1.25 1.56 -1.26 -4.97 117.12 109.52 2wg3 n MET 590 Ca 0.10 -3.89 -0.30 0.00 -0.27 0.00 0.00 57.70 53.33 2wg3 n MET 590 Cb 0.08 -1.96 0.18 0.00 2.15 0.00 0.00 33.22 33.68 2wg3 n MET 590 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2wg3 s PRO 591 N -0.95 0.52 0.05 2.12 0.02 -1.22 -4.95 135.00 130.58 2wg3 s PRO 591 Ca 0.30 1.18 -0.28 0.00 0.02 0.00 0.00 61.00 62.22 2wg3 s PRO 591 Cb 0.03 -1.70 -0.17 0.00 0.02 0.00 0.00 34.50 32.68 2wg3 s PRO 591 CO -0.16 -2.85 1.47 0.93 -0.33 0.00 0.00 177.00 176.06 2wg3 h GLU 592 N -2.01 -0.58 0.00 5.54 3.07 -2.00 -2.82 114.58 115.78 2wg3 h GLU 592 Ca -0.50 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2wg3 h GLU 592 Cb 1.29 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 2wg3 h GLU 592 CO 0.47 -0.32 0.00 -0.85 -1.40 0.00 0.00 179.01 176.91 2wg3 n GLU 593 N -5.29 0.86 -0.02 2.33 0.00 -1.26 -2.53 120.64 114.72 2wg3 n GLU 593 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.16 2wg3 n GLU 593 Cb 0.28 -1.19 0.10 0.00 0.00 0.00 0.00 31.44 30.63 2wg3 n GLU 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wg3 n ARG 595 N 1.23 1.22 -3.65 0.00 1.74 -1.05 -4.98 116.66 111.16 2wg3 n ARG 595 Ca 0.13 0.45 -0.05 0.00 -0.77 0.00 0.00 57.85 57.62 2wg3 n ARG 595 Cb 0.54 -2.21 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 2wg3 n ARG 595 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wg3 s ALA 596 N -1.40 -1.75 -0.29 7.54 0.00 -1.26 -5.13 121.76 119.48 2wg3 s ALA 596 Ca 0.70 2.13 -0.29 0.00 0.00 0.00 0.00 51.96 54.50 2wg3 s ALA 596 Cb -0.46 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 2wg3 s ALA 596 CO 0.51 -0.72 1.41 0.99 0.00 0.00 0.00 175.76 177.95 2wg3 s THR 597 N 2.44 3.98 0.08 0.00 2.01 -1.26 -4.98 115.64 117.91 2wg3 s THR 597 Ca -0.06 1.10 -0.37 0.00 0.31 0.00 0.00 61.69 62.67 2wg3 s THR 597 Cb -0.10 -4.02 -0.17 0.00 0.01 0.00 0.00 72.50 68.22 2wg3 s THR 597 CO -0.17 -0.45 1.35 0.52 -0.69 0.00 0.00 174.62 175.18 2wg3 n VAL 598 N 6.37 0.01 -3.87 3.82 0.31 -1.26 -4.95 118.33 118.76 2wg3 n VAL 598 Ca 0.16 -0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.14 2wg3 n VAL 598 Cb 0.46 -0.83 -0.13 0.00 -0.91 0.00 0.00 33.84 32.43 2wg3 n VAL 598 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wg3 s GLN 599 N 0.57 1.97 0.29 5.55 -0.21 -0.94 -5.01 119.66 121.89 2wg3 s GLN 599 Ca 0.85 -1.71 -0.28 0.00 0.02 0.00 0.00 55.36 54.24 2wg3 s GLN 599 Cb -0.96 -3.40 -0.14 0.00 1.00 0.00 0.00 33.01 29.51 2wg3 s GLN 599 CO 0.47 -0.94 0.92 -2.30 -2.12 0.00 0.00 175.29 171.33 2wg3 n PRO 600 N 4.52 1.14 -1.82 2.91 -0.02 -1.26 -3.17 135.00 137.29 2wg3 n PRO 600 Ca -0.03 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 2wg3 n PRO 600 Cb 0.42 -1.73 0.03 0.00 -0.02 0.00 0.00 33.50 32.20 2wg3 n PRO 600 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wg3 s ALA 601 N -1.08 2.96 0.07 3.55 0.00 -1.26 -4.92 121.76 121.08 2wg3 s ALA 601 Ca 0.60 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.96 2wg3 s ALA 601 Cb -0.72 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 2wg3 s ALA 601 CO 0.59 -1.27 -0.15 -0.65 0.00 0.00 0.00 175.76 174.29 2wg3 s GLN 602 N -2.74 0.87 0.40 0.00 -1.52 -1.26 -4.93 119.66 110.48 2wg3 s GLN 602 Ca 0.68 -0.96 -0.25 0.00 -1.95 0.00 0.00 55.36 52.88 2wg3 s GLN 602 Cb -0.41 -0.92 -0.11 0.00 -0.22 0.00 0.00 33.01 31.35 2wg3 s GLN 602 CO 0.50 0.21 0.95 -2.37 -0.25 0.00 0.00 175.29 174.32 2wg3 n THR 603 N 1.33 2.28 -1.72 -0.19 5.66 -1.26 -4.84 114.28 115.53 2wg3 n THR 603 Ca -0.21 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 59.87 2wg3 n THR 603 Cb 0.54 -1.04 -0.01 0.00 -1.55 0.00 0.00 70.33 68.27 2wg3 n THR 603 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2wg3 n LEU 604 N 0.74 3.88 -0.06 1.09 4.32 -1.26 -4.95 117.00 120.76 2wg3 n LEU 604 Ca 0.10 1.21 -0.06 0.00 -0.02 0.00 0.00 56.01 57.24 2wg3 n LEU 604 Cb 0.38 -1.52 -0.09 0.00 -1.62 0.00 0.00 43.42 40.56 2wg3 n LEU 604 CO 0.57 -0.30 -0.88 0.41 -1.22 0.00 0.00 177.39 175.97 2wg3 n THR 605 N 0.41 0.80 -1.63 -5.08 -1.04 -1.26 -4.91 114.28 101.57 2wg3 n THR 605 Ca 0.04 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.05 61.18 2wg3 n THR 605 Cb 0.37 -0.69 0.05 0.00 -1.82 0.00 0.00 70.33 68.24 2wg3 n THR 605 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2wg3 n SER 606 N -2.43 0.95 -0.33 8.00 3.41 -1.26 -4.72 113.62 117.24 2wg3 n SER 606 Ca -0.19 0.83 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 2wg3 n SER 606 Cb 0.88 -1.41 0.28 0.00 -0.26 0.00 0.00 64.21 63.70 2wg3 n SER 606 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wg3 h GLU 607 N 0.58 0.89 -0.15 4.33 4.81 -1.97 -1.56 114.58 121.52 2wg3 h GLU 607 Ca -0.49 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2wg3 h GLU 607 Cb 1.36 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2wg3 h GLU 607 CO 0.51 0.59 0.07 0.00 -0.73 0.00 0.00 179.01 179.46 2wg3 h SER 609 N 0.12 0.64 0.01 0.00 0.87 -1.65 -1.19 113.55 112.35 2wg3 h SER 609 Ca 0.05 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2wg3 h SER 609 Cb 0.11 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2wg3 h SER 609 CO -0.01 0.33 -0.16 0.03 -0.53 0.00 0.00 176.83 176.50 2wg3 h ARG 610 N 0.74 0.08 0.05 2.24 3.08 -1.12 -3.41 114.38 116.04 2wg3 h ARG 610 Ca 0.43 -0.11 -0.34 0.00 0.07 0.00 0.00 59.98 60.03 2wg3 h ARG 610 Cb 0.48 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2wg3 h ARG 610 CO -0.29 0.95 -1.91 1.28 -1.07 0.00 0.00 179.97 178.92 2wg3 n LEU 611 N -4.56 2.35 -3.88 3.04 4.77 -0.69 -4.76 117.00 113.27 2wg3 n LEU 611 Ca -0.10 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 2wg3 n LEU 611 Cb 0.50 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 2wg3 n LEU 611 CO 0.37 0.64 1.54 0.00 -1.33 0.00 0.00 177.39 178.61 2wg3 n ARG 613 N 7.84 0.82 -2.35 0.00 1.74 -1.26 -4.50 116.66 118.95 2wg3 n ARG 613 Ca 0.46 -0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 57.03 2wg3 n ARG 613 Cb 0.43 -1.38 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 2wg3 n ARG 613 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wg3 n ASN 614 N -1.86 7.44 0.00 0.55 3.02 -1.26 -4.94 115.26 118.20 2wg3 n ASN 614 Ca -0.01 -3.68 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 2wg3 n ASN 614 Cb 0.39 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2wg3 n ASN 614 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wg3 n GLY 615 N -0.05 -0.50 3.35 7.41 0.00 -1.26 -2.23 105.19 111.91 2wg3 n GLY 615 Ca 0.50 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2wg3 n GLY 615 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wg3 s TYR 616 N -3.04 1.93 -0.10 1.61 -0.85 -0.13 -4.91 117.35 111.85 2wg3 s TYR 616 Ca 0.00 -0.44 -0.18 0.00 -0.52 0.00 0.00 57.07 55.93 2wg3 s TYR 616 Cb 0.00 -0.96 -0.04 0.00 0.38 0.00 0.00 41.96 41.34 2wg3 s TYR 616 CO 0.00 0.37 0.46 0.00 -1.52 0.00 0.00 175.55 174.86 2wg3 s THR 618 N 0.41 2.59 -0.53 0.00 -4.23 0.32 -4.86 115.64 109.35 2wg3 s THR 618 Ca 0.25 0.22 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 2wg3 s THR 618 Cb -0.15 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.22 2wg3 s THR 618 CO 0.10 -0.23 1.17 -2.65 -0.54 0.00 0.00 174.62 172.48 2wg3 n PRO 619 N -3.54 0.05 -0.31 3.99 -0.02 -1.26 -1.17 135.00 132.74 2wg3 n PRO 619 Ca 0.11 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.16 2wg3 n PRO 619 Cb 0.52 -1.77 0.21 0.00 -0.02 0.00 0.00 33.50 32.44 2wg3 n PRO 619 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wg3 n THR 620 N -1.74 1.56 -0.41 3.45 -2.24 -1.26 -4.86 114.28 108.78 2wg3 n THR 620 Ca -0.01 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 2wg3 n THR 620 Cb 0.11 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2wg3 n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg3 n GLY 621 N 0.13 0.73 3.78 3.38 0.00 -0.32 -5.06 105.19 107.83 2wg3 n GLY 621 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2wg3 n GLY 621 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wg3 s LYS 622 N -0.59 4.09 -0.40 1.61 2.20 -1.26 -4.67 119.74 120.72 2wg3 s LYS 622 Ca 0.00 1.66 -0.16 0.00 -0.36 0.00 0.00 55.97 57.11 2wg3 s LYS 622 Cb 0.00 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.75 2wg3 s LYS 622 CO 0.00 -0.24 0.34 0.00 -0.36 0.00 0.00 175.35 175.09 2wg3 s SER 626 N -2.25 4.50 0.55 0.00 0.01 -0.95 -4.89 113.70 110.67 2wg3 s SER 626 Ca 0.56 1.38 -0.21 0.00 1.31 0.00 0.00 55.95 59.00 2wg3 s SER 626 Cb -0.10 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 2wg3 s SER 626 CO 0.16 -1.97 1.17 -2.65 0.41 0.00 0.00 173.24 170.35 2wg3 n PRO 627 N -3.44 1.35 -0.78 12.44 -0.02 -1.26 -3.07 135.00 140.22 2wg3 n PRO 627 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2wg3 n PRO 627 Cb 0.56 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2wg3 n PRO 627 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg3 n GLY 628 N 1.01 0.79 3.22 -1.23 0.00 -1.26 -5.03 105.19 102.69 2wg3 n GLY 628 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2wg3 n GLY 628 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wg3 s TRP 629 N -3.02 1.42 0.13 1.61 0.52 -1.17 0.08 118.94 118.50 2wg3 s TRP 629 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 56.10 55.64 2wg3 s TRP 629 Cb 0.00 -0.78 0.01 0.00 -1.15 0.00 0.00 33.47 31.55 2wg3 s TRP 629 CO 0.00 0.12 0.20 0.39 0.02 0.00 0.00 176.95 177.68 2wg3 n GLU 630 N 1.11 0.29 0.00 4.98 -0.58 0.53 -4.83 120.64 122.15 2wg3 n GLU 630 Ca -0.20 -0.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 2wg3 n GLU 630 Cb 0.54 0.95 0.00 0.00 -0.57 0.00 0.00 31.44 32.36 2wg3 n GLU 630 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wg3 n GLY 631 N -0.20 0.46 0.37 0.62 0.00 -1.26 -2.09 105.19 103.10 2wg3 n GLY 631 Ca -0.01 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.31 2wg3 n GLY 631 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wg3 h ASP 632 N 0.00 0.70 -0.47 1.61 3.32 -1.98 -0.28 116.42 119.33 2wg3 h ASP 632 Ca 0.00 0.05 -0.34 0.00 0.02 0.00 0.00 57.03 56.76 2wg3 h ASP 632 Cb 0.00 -0.08 -0.34 0.00 0.22 0.00 0.00 39.33 39.12 2wg3 h ASP 632 CO 0.00 0.33 -0.86 0.49 -1.72 0.00 0.00 179.24 177.48 2wg3 n PHE 633 N -4.61 1.63 -2.53 4.55 3.72 -1.26 -4.76 117.46 114.19 2wg3 n PHE 633 Ca 0.19 -1.91 -0.21 0.00 -0.05 0.00 0.00 57.45 55.47 2wg3 n PHE 633 Cb 0.50 -0.28 -0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2wg3 n PHE 633 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wg3 h ARG 635 N -0.28 -0.08 -6.21 0.00 3.08 -1.68 -3.41 114.38 105.80 2wg3 h ARG 635 Ca -0.50 0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.01 2wg3 h ARG 635 Cb 1.36 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.39 2wg3 h ARG 635 CO 0.57 0.51 0.14 0.95 -1.07 0.00 0.00 179.97 181.07 2wg3 s THR 636 N -2.84 4.86 0.64 2.04 -4.23 -0.89 -4.88 115.64 110.34 2wg3 s THR 636 Ca -0.14 1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.91 2wg3 s THR 636 Cb -0.01 -4.10 0.04 0.00 1.34 0.00 0.00 72.50 69.78 2wg3 s THR 636 CO 0.51 0.31 0.93 0.00 -0.54 0.00 0.00 174.62 175.83 2wg3 s ALA 637 N 0.32 3.36 0.20 3.99 0.00 -1.26 -0.34 121.76 128.03 2wg3 s ALA 637 Ca 0.39 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2wg3 s ALA 637 Cb -0.19 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 2wg3 s ALA 637 CO 0.21 -1.03 0.33 0.15 0.00 0.00 0.00 175.76 175.42 2wg3 s LYS 638 N -5.06 3.44 0.00 0.00 -0.14 0.11 -4.81 119.74 113.28 2wg3 s LYS 638 Ca 0.58 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 2wg3 s LYS 638 Cb -0.11 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 2wg3 s LYS 638 CO 0.43 0.46 0.00 0.00 -0.76 0.00 0.00 175.35 175.49