#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 -2.57 2.46 0.13 0.00 0.08 -0.85 -4.43 117.98 112.80 2wg3 s PHE 217 Ca 0.48 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.01 2wg3 s PHE 217 Cb -0.04 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 2wg3 s PHE 217 CO 0.29 -0.26 -0.08 0.00 -0.10 0.00 0.00 175.22 175.07 2wg3 s ILE 219 N -3.45 4.39 -0.12 0.00 -4.36 -1.24 0.04 121.20 116.45 2wg3 s ILE 219 Ca 0.15 -0.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.72 2wg3 s ILE 219 Cb 0.04 -3.10 0.03 0.00 1.25 0.00 0.00 42.46 40.67 2wg3 s ILE 219 CO -0.01 0.13 -0.05 -1.58 0.24 0.00 0.00 174.94 173.67 2wg3 s GLN 220 N -2.34 1.26 0.21 0.37 0.74 0.46 -4.62 119.66 115.73 2wg3 s GLN 220 Ca 0.28 -0.23 -0.31 0.00 0.05 0.00 0.00 55.36 55.16 2wg3 s GLN 220 Cb -0.12 -1.55 -0.10 0.00 1.10 0.00 0.00 33.01 32.34 2wg3 s GLN 220 CO 0.21 -0.32 1.47 -2.00 -0.55 0.00 0.00 175.29 174.09 2wg3 s GLU 221 N 1.76 4.26 -0.15 1.67 2.12 -1.26 -0.14 118.70 126.96 2wg3 s GLU 221 Ca 0.04 2.29 -0.07 0.00 0.36 0.00 0.00 54.97 57.58 2wg3 s GLU 221 Cb -0.13 -3.14 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 2wg3 s GLU 221 CO -0.07 -0.47 -0.19 0.28 -0.54 0.00 0.00 175.26 174.26 2wg3 n VAL 222 N 3.00 0.84 -3.68 3.70 0.31 0.47 -4.88 118.33 118.10 2wg3 n VAL 222 Ca 0.09 -0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 64.05 2wg3 n VAL 222 Cb 0.40 -1.66 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 2wg3 n VAL 222 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wg3 s VAL 223 N -2.28 0.04 0.00 2.52 0.11 -1.23 -5.01 120.40 114.55 2wg3 s VAL 223 Ca -0.21 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2wg3 s VAL 223 Cb 0.08 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2wg3 s VAL 223 CO 0.27 -0.18 0.00 -1.54 -3.33 0.00 0.00 175.10 170.32 2wg3 n SER 224 N 1.12 1.30 -1.39 3.54 3.41 -1.26 -1.06 113.62 119.27 2wg3 n SER 224 Ca -0.21 -0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 57.85 2wg3 n SER 224 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 3.25 0.76 3.80 5.00 0.00 -1.16 -4.87 105.19 111.96 2wg3 n GLY 225 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.80 4.40 -0.40 0.99 1.43 -0.90 -4.74 118.68 115.65 2wg3 s LEU 226 Ca 0.00 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 2wg3 s LEU 226 Cb 0.00 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.69 2wg3 s LEU 226 CO 0.00 0.06 0.24 -0.60 0.23 0.00 0.00 176.35 176.28 2wg3 s ARG 227 N -1.79 2.68 -1.24 1.70 6.06 -1.26 -0.47 118.95 124.63 2wg3 s ARG 227 Ca 0.42 -1.33 -0.03 0.00 -2.50 0.00 0.00 55.73 52.29 2wg3 s ARG 227 Cb -0.18 -3.76 -0.01 0.00 0.06 0.00 0.00 34.95 31.05 2wg3 s ARG 227 CO 0.23 -0.87 0.78 1.04 -2.50 0.00 0.00 175.30 173.98 2wg3 n GLN 228 N 4.95 -4.35 -2.40 5.12 6.02 -0.20 -4.41 117.38 122.11 2wg3 n GLN 228 Ca -0.11 0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 57.13 2wg3 n GLN 228 Cb 0.44 -5.22 -0.03 0.00 1.02 0.00 0.00 30.24 26.44 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 -5.70 4.50 -0.01 -1.09 0.04 -1.26 -1.34 135.00 130.15 2wg3 s PRO 229 Ca 0.12 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2wg3 s PRO 229 Cb -0.03 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 2wg3 s PRO 229 CO 0.80 -0.08 0.13 1.33 0.04 0.00 0.00 177.00 179.21 2wg3 n VAL 230 N 2.67 0.00 -3.73 -0.36 0.24 -0.60 -4.57 118.33 111.99 2wg3 n VAL 230 Ca 0.05 -0.13 -0.01 0.00 -2.04 0.00 0.00 64.34 62.20 2wg3 n VAL 230 Cb 0.45 0.38 -0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.64 -0.26 -0.09 7.63 0.00 -1.24 -4.02 107.32 106.71 2wg3 s GLY 231 Ca -0.02 0.29 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 2wg3 s GLY 231 CO 0.24 0.61 0.24 0.00 0.00 0.00 0.00 173.10 174.19 2wg3 s ALA 232 N -2.75 -0.60 0.15 3.20 0.00 0.31 -0.46 121.76 121.60 2wg3 s ALA 232 Ca 0.15 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.52 2wg3 s ALA 232 Cb 0.01 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.83 2wg3 s ALA 232 CO 0.00 -0.12 0.63 -0.48 0.00 0.00 0.00 175.76 175.79 2wg3 s LEU 233 N 0.03 -0.54 0.38 0.00 2.34 -0.63 -2.78 118.68 117.48 2wg3 s LEU 233 Ca -0.01 -0.02 0.06 0.00 0.06 0.00 0.00 54.13 54.22 2wg3 s LEU 233 Cb -0.02 2.55 -0.00 0.00 -0.56 0.00 0.00 46.19 48.15 2wg3 s LEU 233 CO 0.00 -0.95 0.52 -1.38 -1.06 0.00 0.00 176.35 173.49 2wg3 s HIS 234 N -3.69 3.02 -2.76 3.48 -3.43 -1.21 0.24 115.29 110.95 2wg3 s HIS 234 Ca 0.02 -0.24 0.22 0.00 -0.80 0.00 0.00 55.06 54.26 2wg3 s HIS 234 Cb -0.01 -2.16 0.18 0.00 -1.43 0.00 0.00 32.58 29.16 2wg3 s HIS 234 CO -0.12 -0.19 1.20 -1.13 -2.00 0.00 0.00 174.74 172.51 2wg3 n SER 235 N -1.76 2.85 -1.56 7.38 3.41 -1.26 -4.82 113.62 117.85 2wg3 n SER 235 Ca 0.03 -1.92 -0.15 0.00 -0.26 0.00 0.00 58.87 56.57 2wg3 n SER 235 Cb 0.58 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.25 0.17 0.62 5.00 0.00 -1.26 -4.78 105.19 106.19 2wg3 n GLY 236 Ca 0.13 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.73 2.60 0.00 1.61 5.75 -1.26 -4.82 116.55 119.69 2wg3 n ASP 237 Ca -0.17 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 2wg3 n ASP 237 Cb 0.60 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.67 1.14 0.21 6.12 0.00 -1.26 -4.88 105.19 107.19 2wg3 n GLY 238 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.80 1.61 4.64 -1.86 -0.00 113.55 117.14 2wg3 h SER 239 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2wg3 h SER 239 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 2wg3 h SER 239 CO 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 175.65 2wg3 n GLN 240 N -2.96 -1.46 -1.94 4.77 6.02 -1.26 -4.66 117.38 115.89 2wg3 n GLN 240 Ca 0.03 1.09 -0.35 0.00 -0.01 0.00 0.00 57.00 57.76 2wg3 n GLN 240 Cb 0.46 -5.44 0.04 0.00 1.02 0.00 0.00 30.24 26.32 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 -3.41 2.92 -0.09 -1.09 0.52 -1.26 -4.07 118.95 112.47 2wg3 s ARG 241 Ca 0.00 1.67 0.03 0.00 -0.52 0.00 0.00 55.73 56.91 2wg3 s ARG 241 Cb 0.00 -1.94 -0.01 0.00 0.52 0.00 0.00 34.95 33.52 2wg3 s ARG 241 CO 0.00 -1.21 -0.18 -1.17 0.02 0.00 0.00 175.30 172.76 2wg3 s LEU 242 N -4.31 2.48 -0.38 2.53 2.96 -0.00 -4.44 118.68 117.51 2wg3 s LEU 242 Ca 0.74 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 54.17 2wg3 s LEU 242 Cb -0.26 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 44.95 2wg3 s LEU 242 CO 0.35 0.22 0.21 -0.36 -1.32 0.00 0.00 176.35 175.45 2wg3 s PHE 243 N -0.02 3.26 -0.39 5.38 0.40 0.14 -0.58 117.98 126.17 2wg3 s PHE 243 Ca -0.05 -1.09 -0.18 0.00 -0.60 0.00 0.00 56.93 55.00 2wg3 s PHE 243 Cb -0.15 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 40.88 2wg3 s PHE 243 CO 0.05 -0.69 0.50 0.42 0.70 0.00 0.00 175.22 176.19 2wg3 s ILE 244 N 1.52 5.02 0.16 0.64 1.01 0.04 -1.60 121.20 127.99 2wg3 s ILE 244 Ca 0.02 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2wg3 s ILE 244 Cb -0.20 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 2wg3 s ILE 244 CO 0.06 -0.34 1.05 -0.76 0.00 0.00 0.00 174.94 174.94 2wg3 s LEU 245 N 2.35 4.50 -0.04 2.97 1.02 0.39 -1.75 118.68 128.11 2wg3 s LEU 245 Ca 0.16 1.99 0.05 0.00 0.02 0.00 0.00 54.13 56.35 2wg3 s LEU 245 Cb -0.16 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 2wg3 s LEU 245 CO 0.14 -0.16 -0.19 -1.61 0.02 0.00 0.00 176.35 174.55 2wg3 s GLU 246 N -0.27 1.91 0.24 1.70 2.02 0.23 -1.56 118.70 122.97 2wg3 s GLU 246 Ca 0.48 -0.68 -0.06 0.00 0.02 0.00 0.00 54.97 54.73 2wg3 s GLU 246 Cb -0.27 -1.67 0.31 0.00 0.10 0.00 0.00 34.13 32.59 2wg3 s GLU 246 CO 0.33 0.30 1.85 -0.22 0.02 0.00 0.00 175.26 177.54 2wg3 h LYS 247 N 6.12 0.94 0.00 1.61 3.64 -1.42 -0.92 116.57 126.54 2wg3 h LYS 247 Ca -0.33 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2wg3 h LYS 247 Cb 1.17 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2wg3 h LYS 247 CO 0.48 0.62 0.00 0.39 -2.27 0.00 0.00 179.45 178.67 2wg3 n GLU 248 N -4.62 0.02 0.00 1.90 1.02 -1.26 -0.56 120.64 117.14 2wg3 n GLU 248 Ca 0.12 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2wg3 n GLU 248 Cb 0.16 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.78 0.98 3.34 0.62 0.00 -0.38 -4.29 105.19 104.68 2wg3 n GLY 249 Ca 0.01 0.00 -0.22 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 -1.72 1.87 -0.10 1.61 2.02 -1.05 -1.04 117.35 118.93 2wg3 s TYR 250 Ca 0.00 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2wg3 s TYR 250 Cb 0.00 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 2wg3 s TYR 250 CO 0.00 0.34 -0.14 0.08 -1.57 0.00 0.00 175.55 174.26 2wg3 s VAL 251 N -1.93 1.38 0.04 0.71 1.01 -0.48 -0.60 120.40 120.53 2wg3 s VAL 251 Ca 0.15 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2wg3 s VAL 251 Cb -0.06 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2wg3 s VAL 251 CO 0.07 0.42 -0.08 -0.54 0.00 0.00 0.00 175.10 174.97 2wg3 s LYS 252 N 0.98 2.42 -0.15 2.72 -0.14 -0.72 -0.29 119.74 124.55 2wg3 s LYS 252 Ca -0.07 -0.82 -0.10 0.00 -1.36 0.00 0.00 55.97 53.61 2wg3 s LYS 252 Cb -0.15 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.52 2wg3 s LYS 252 CO -0.01 0.57 0.18 0.42 -0.76 0.00 0.00 175.35 175.75 2wg3 s ILE 253 N -1.07 5.40 -0.18 2.17 1.01 -1.26 -0.78 121.20 126.49 2wg3 s ILE 253 Ca 0.19 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 2wg3 s ILE 253 Cb -0.11 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2wg3 s ILE 253 CO 0.10 0.50 -0.09 -0.22 0.00 0.00 0.00 174.94 175.23 2wg3 s LEU 254 N -0.16 2.77 0.52 2.97 2.96 0.25 -2.14 118.68 125.84 2wg3 s LEU 254 Ca 0.13 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 2wg3 s LEU 254 Cb -0.12 -1.67 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 2wg3 s LEU 254 CO 0.02 0.05 0.92 0.42 -1.32 0.00 0.00 176.35 176.44 2wg3 s THR 255 N 1.04 4.70 0.47 3.68 -4.23 -0.52 -0.82 115.64 119.96 2wg3 s THR 255 Ca -0.00 0.82 0.41 0.00 -1.18 0.00 0.00 61.69 61.73 2wg3 s THR 255 Cb -0.15 -3.79 0.42 0.00 1.34 0.00 0.00 72.50 70.32 2wg3 s THR 255 CO -0.01 -0.82 2.23 1.55 -0.54 0.00 0.00 174.62 177.03 2wg3 h PRO 256 N 0.50 0.00 0.00 3.99 0.13 -1.85 -0.19 132.00 134.58 2wg3 h PRO 256 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wg3 h PRO 256 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wg3 h PRO 256 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 2wg3 n GLU 257 N -3.00 0.16 0.00 0.86 1.02 -1.26 -4.94 120.64 113.48 2wg3 n GLU 257 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2wg3 n GLU 257 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2wg3 n GLU 257 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wg3 n GLY 258 N 1.23 0.71 3.71 0.62 0.00 -0.08 -5.11 105.19 106.26 2wg3 n GLY 258 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.57 2.84 0.15 1.61 1.03 -1.26 -4.82 118.70 117.68 2wg3 s GLU 259 Ca 0.00 -0.59 -0.24 0.00 0.03 0.00 0.00 54.97 54.16 2wg3 s GLU 259 Cb 0.00 -2.71 -0.08 0.00 -0.80 0.00 0.00 34.13 30.55 2wg3 s GLU 259 CO 0.00 0.63 0.74 0.42 -1.33 0.00 0.00 175.26 175.72 2wg3 s ILE 260 N -1.12 4.44 -0.04 1.83 -1.09 -1.26 -1.43 121.20 122.52 2wg3 s ILE 260 Ca 0.21 1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 59.95 2wg3 s ILE 260 Cb -0.12 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 2wg3 s ILE 260 CO 0.11 0.52 1.05 -0.36 -1.23 0.00 0.00 174.94 175.04 2wg3 s PHE 261 N -1.11 3.50 0.19 3.97 0.08 -0.91 -4.95 117.98 118.75 2wg3 s PHE 261 Ca 0.35 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.81 2wg3 s PHE 261 Cb -0.22 -3.23 0.15 0.00 -0.57 0.00 0.00 43.02 39.14 2wg3 s PHE 261 CO 0.25 -0.46 1.82 -0.22 -0.10 0.00 0.00 175.22 176.51 2wg3 h LYS 262 N 7.03 0.68 -6.26 0.44 3.64 -1.97 -3.40 116.57 116.73 2wg3 h LYS 262 Ca -0.36 -0.04 -0.55 0.00 -1.27 0.00 0.00 60.65 58.43 2wg3 h LYS 262 Cb 1.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2wg3 h LYS 262 CO 0.82 0.45 1.10 -2.00 -2.27 0.00 0.00 179.45 177.55 2wg3 s GLU 263 N -6.13 4.13 0.66 1.90 2.56 -1.26 -4.98 118.70 115.58 2wg3 s GLU 263 Ca -0.13 2.13 -0.17 0.00 0.00 0.00 0.00 54.97 56.81 2wg3 s GLU 263 Cb 0.14 -4.00 0.00 0.00 2.00 0.00 0.00 34.13 32.28 2wg3 s GLU 263 CO 0.75 -0.91 1.20 -2.14 -0.56 0.00 0.00 175.26 173.60 2wg3 s PRO 264 N 4.13 2.59 0.11 4.30 0.02 -1.26 -4.76 135.00 140.13 2wg3 s PRO 264 Ca 0.74 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 2wg3 s PRO 264 Cb -0.32 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.18 2wg3 s PRO 264 CO 0.29 -1.49 1.33 -0.92 -0.33 0.00 0.00 177.00 175.88 2wg3 h TYR 265 N 0.27 1.01 -3.63 6.54 5.03 -0.85 -3.44 116.97 121.90 2wg3 h TYR 265 Ca -0.49 -0.44 -0.33 0.00 2.58 0.00 0.00 58.73 60.05 2wg3 h TYR 265 Cb 1.29 -0.16 -0.32 0.00 1.55 0.00 0.00 36.73 39.10 2wg3 h TYR 265 CO 0.48 1.27 -0.75 -1.17 -1.32 0.00 0.00 178.16 176.67 2wg3 s LEU 266 N -8.36 1.50 -0.34 2.82 2.96 -1.17 -0.41 118.68 115.69 2wg3 s LEU 266 Ca -0.10 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2wg3 s LEU 266 Cb 0.09 -0.23 0.11 0.00 0.50 0.00 0.00 46.19 46.66 2wg3 s LEU 266 CO 0.90 -0.04 0.11 -0.62 -1.32 0.00 0.00 176.35 175.38 2wg3 s ASP 267 N 0.59 4.07 -0.26 3.68 3.68 -1.26 -1.39 116.67 125.78 2wg3 s ASP 267 Ca -0.06 -1.87 0.10 0.00 2.13 0.00 0.00 52.55 52.84 2wg3 s ASP 267 Cb -0.09 -1.00 0.46 0.00 -1.45 0.00 0.00 42.92 40.85 2wg3 s ASP 267 CO -0.01 -0.39 1.34 2.30 0.13 0.00 0.00 175.17 178.55 2wg3 n ILE 268 N 4.55 2.40 0.13 4.11 -5.35 -0.21 -4.84 119.36 120.16 2wg3 n ILE 268 Ca 0.01 -3.06 0.01 0.00 -0.27 0.00 0.00 62.75 59.43 2wg3 n ILE 268 Cb 0.41 -0.32 0.32 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.05 0.17 -0.05 4.28 2.07 -1.71 -1.56 115.15 119.40 2wg3 h HIS 269 Ca 0.12 -0.04 -0.17 0.00 -2.85 0.00 0.00 60.37 57.44 2wg3 h HIS 269 Cb 1.33 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 2wg3 h HIS 269 CO 0.91 0.46 -0.70 1.57 -3.07 0.00 0.00 177.93 177.10 2wg3 h LYS 270 N 0.14 0.25 0.00 5.12 5.09 -1.88 -3.01 116.57 122.27 2wg3 h LYS 270 Ca 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 60.65 60.56 2wg3 h LYS 270 Cb 0.63 0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.00 2wg3 h LYS 270 CO 0.05 0.85 0.00 -0.07 -2.09 0.00 0.00 179.45 178.18 2wg3 h LEU 271 N 0.17 0.00 -9.31 7.07 3.38 -1.69 -3.44 115.31 111.49 2wg3 h LEU 271 Ca -0.02 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.29 2wg3 h LEU 271 Cb 1.24 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 2wg3 h LEU 271 CO 0.11 0.00 -0.57 -0.69 0.09 0.00 0.00 178.44 177.37 2wg3 s VAL 272 N -3.47 4.70 -0.56 1.22 1.01 -0.78 -4.59 120.40 117.93 2wg3 s VAL 272 Ca 0.03 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2wg3 s VAL 272 Cb 0.09 -3.03 0.14 0.00 0.00 0.00 0.00 36.38 33.57 2wg3 s VAL 272 CO 0.46 0.57 0.52 -1.58 0.00 0.00 0.00 175.10 175.07 2wg3 s GLN 273 N -0.56 3.03 0.50 2.72 2.00 -0.98 -4.92 119.66 121.45 2wg3 s GLN 273 Ca 0.10 -1.76 -0.04 0.00 -2.00 0.00 0.00 55.36 51.66 2wg3 s GLN 273 Cb -0.12 -4.31 -0.02 0.00 0.80 0.00 0.00 33.01 29.37 2wg3 s GLN 273 CO 0.02 -1.33 0.79 -1.54 -0.50 0.00 0.00 175.29 172.73 2wg3 s SER 274 N 3.50 6.00 0.18 6.67 1.04 -1.26 -2.98 113.70 126.84 2wg3 s SER 274 Ca 0.04 0.73 -0.25 0.00 0.48 0.00 0.00 55.95 56.95 2wg3 s SER 274 Cb -0.29 -1.96 -0.08 0.00 0.10 0.00 0.00 66.02 63.79 2wg3 s SER 274 CO 0.02 -0.72 0.79 -0.83 0.98 0.00 0.00 173.24 173.47 2wg3 s GLY 275 N -4.18 2.92 -0.12 7.32 0.00 0.50 -4.82 107.32 108.93 2wg3 s GLY 275 Ca 0.49 0.37 0.20 0.00 0.00 0.00 0.00 44.72 45.78 2wg3 s GLY 275 CO 0.43 0.87 0.25 0.29 0.00 0.00 0.00 173.10 174.95 2wg3 n ILE 276 N 1.53 0.78 -4.24 0.90 -6.64 -1.26 -4.94 119.36 105.49 2wg3 n ILE 276 Ca -0.05 -0.70 -0.11 0.00 -1.77 0.00 0.00 62.75 60.12 2wg3 n ILE 276 Cb 0.49 -0.26 -0.02 0.00 -1.44 0.00 0.00 39.64 38.40 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 -2.53 1.38 -2.57 6.28 2.85 -1.26 -4.89 118.16 117.41 2wg3 n LYS 277 Ca -0.20 -1.25 -0.38 0.00 -1.05 0.00 0.00 58.31 55.42 2wg3 n LYS 277 Cb 0.90 0.42 -0.05 0.00 -0.65 0.00 0.00 35.03 35.65 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 -1.94 2.88 0.00 2.58 0.00 -1.26 -3.37 107.32 106.21 2wg3 s GLY 278 Ca 0.02 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.47 2wg3 s GLY 278 CO 0.01 1.23 0.00 0.61 0.00 0.00 0.00 173.10 174.95 2wg3 n GLY 279 N 0.74 2.42 3.53 0.20 0.00 -1.26 -4.99 105.19 105.82 2wg3 n GLY 279 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.91 6.24 0.00 1.61 3.68 -1.22 -4.53 116.67 120.54 2wg3 s ASP 280 Ca 0.00 -0.47 0.23 0.00 2.13 0.00 0.00 52.55 54.43 2wg3 s ASP 280 Cb 0.00 -2.51 1.24 0.00 -1.45 0.00 0.00 42.92 40.21 2wg3 s ASP 280 CO 0.00 -1.59 1.81 -0.62 0.13 0.00 0.00 175.17 174.90 2wg3 n GLU 281 N 8.53 1.14 -2.54 4.34 1.02 -0.64 -4.55 120.64 127.94 2wg3 n GLU 281 Ca 0.02 -0.21 -0.36 0.00 -0.02 0.00 0.00 57.16 56.58 2wg3 n GLU 281 Cb 0.48 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.97 4.15 0.00 3.49 0.52 -1.26 -4.89 118.95 118.98 2wg3 s ARG 282 Ca 0.34 1.50 0.00 0.00 -0.52 0.00 0.00 55.73 57.05 2wg3 s ARG 282 Cb 0.16 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2wg3 s ARG 282 CO 0.27 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.84 2wg3 n GLY 283 N 0.30 0.81 3.68 -3.53 0.00 -1.16 -0.37 105.19 104.92 2wg3 n GLY 283 Ca 0.05 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 4.26 -0.24 0.99 2.96 0.28 -2.19 118.68 124.72 2wg3 s LEU 284 Ca 0.00 1.86 -0.08 0.00 -0.22 0.00 0.00 54.13 55.69 2wg3 s LEU 284 Cb 0.00 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.02 2wg3 s LEU 284 CO 0.00 -0.70 -0.29 0.18 -1.32 0.00 0.00 176.35 174.23 2wg3 n LEU 285 N 5.86 2.11 -3.85 -0.68 4.77 0.24 -4.59 117.00 120.85 2wg3 n LEU 285 Ca 0.13 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 2wg3 n LEU 285 Cb 0.45 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2wg3 n LEU 285 CO 0.57 0.63 0.47 -0.55 -1.33 0.00 0.00 177.39 177.17 2wg3 s SER 286 N -6.93 -0.19 -0.07 -1.43 0.15 -1.18 -4.77 113.70 99.28 2wg3 s SER 286 Ca -0.34 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.50 2wg3 s SER 286 Cb 0.12 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 65.20 2wg3 s SER 286 CO 0.46 -1.42 0.21 -0.22 1.20 0.00 0.00 173.24 173.48 2wg3 s LEU 287 N -2.96 1.21 0.05 3.45 2.96 -1.26 -2.14 118.68 120.00 2wg3 s LEU 287 Ca 0.12 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2wg3 s LEU 287 Cb -0.06 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.35 2wg3 s LEU 287 CO 0.08 -0.11 -0.12 0.00 -1.32 0.00 0.00 176.35 174.88 2wg3 s ALA 288 N -0.07 0.95 -0.14 5.97 0.00 -0.75 -4.77 121.76 122.95 2wg3 s ALA 288 Ca -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2wg3 s ALA 288 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2wg3 s ALA 288 CO 0.01 0.13 -0.00 -0.06 0.00 0.00 0.00 175.76 175.83 2wg3 s PHE 289 N -1.10 3.12 0.35 0.00 0.40 -1.26 -0.79 117.98 118.70 2wg3 s PHE 289 Ca -0.03 -0.07 -0.28 0.00 -0.60 0.00 0.00 56.93 55.95 2wg3 s PHE 289 Cb -0.09 -1.94 -0.11 0.00 0.51 0.00 0.00 43.02 41.39 2wg3 s PHE 289 CO 0.01 0.15 1.47 1.58 0.70 0.00 0.00 175.22 179.14 2wg3 n HIS 290 N 3.14 2.83 -0.34 0.36 -0.00 -0.51 -4.83 115.22 115.86 2wg3 n HIS 290 Ca -0.17 0.43 0.23 0.00 -0.00 0.00 0.00 57.72 58.21 2wg3 n HIS 290 Cb 0.53 -2.52 0.49 0.00 -0.00 0.00 0.00 29.99 28.49 2wg3 n HIS 290 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2wg3 h PRO 291 N 3.22 0.39 -1.00 1.57 0.11 -1.93 0.12 132.00 134.47 2wg3 h PRO 291 Ca -0.49 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 2wg3 h PRO 291 Cb 1.25 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 31.98 2wg3 h PRO 291 CO 0.67 0.25 0.81 -1.71 -0.21 0.00 0.00 178.00 177.81 2wg3 n ASN 292 N -4.74 6.76 -0.16 -2.05 5.15 -1.26 -4.72 115.26 114.23 2wg3 n ASN 292 Ca 0.28 -3.75 -0.02 0.00 -0.60 0.00 0.00 54.58 50.49 2wg3 n ASN 292 Cb 0.92 -0.94 0.07 0.00 -0.53 0.00 0.00 39.78 39.30 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 1.77 0.14 -1.60 1.20 5.03 -1.04 -1.10 116.97 121.36 2wg3 h TYR 293 Ca 0.61 0.03 0.51 0.00 2.58 0.00 0.00 58.73 62.46 2wg3 h TYR 293 Cb 1.30 0.01 -0.11 0.00 1.55 0.00 0.00 36.73 39.47 2wg3 h TYR 293 CO 1.47 -0.02 1.09 -0.22 -1.32 0.00 0.00 178.16 179.16 2wg3 h LYS 294 N 0.22 0.01 0.00 1.82 3.64 -1.84 0.87 116.57 121.29 2wg3 h LYS 294 Ca 0.25 -0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.28 2wg3 h LYS 294 Cb 0.34 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 2wg3 h LYS 294 CO -0.33 0.01 -2.32 1.63 -2.27 0.00 0.00 179.45 176.17 2wg3 n LYS 295 N -4.42 0.58 0.00 1.90 5.02 -0.77 -4.71 118.16 115.76 2wg3 n LYS 295 Ca 0.41 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.93 2wg3 n LYS 295 Cb 1.72 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 35.20 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 -3.21 1.19 -3.63 4.39 0.23 -0.49 -4.31 115.26 109.43 2wg3 n ASN 296 Ca -0.41 -1.10 -0.27 0.00 -0.53 0.00 0.00 54.58 52.27 2wg3 n ASN 296 Cb 0.93 0.81 -0.01 0.00 -2.08 0.00 0.00 39.78 39.44 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 1.37 -0.48 3.69 4.83 0.00 0.30 -4.84 105.19 110.07 2wg3 n GLY 297 Ca 0.05 0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -6.30 4.17 0.32 1.61 -0.14 -1.26 -1.11 119.74 117.03 2wg3 s LYS 298 Ca 0.51 -0.05 0.03 0.00 -1.36 0.00 0.00 55.97 55.11 2wg3 s LYS 298 Cb -0.27 -3.48 -0.06 0.00 -1.68 0.00 0.00 37.83 32.33 2wg3 s LYS 298 CO 0.63 0.13 0.06 -0.48 -0.76 0.00 0.00 175.35 174.94 2wg3 s LEU 299 N 0.82 2.12 -0.02 3.17 2.34 -0.10 -1.43 118.68 125.57 2wg3 s LEU 299 Ca 0.13 -1.38 0.00 0.00 0.06 0.00 0.00 54.13 52.94 2wg3 s LEU 299 Cb -0.13 -0.34 0.03 0.00 -0.56 0.00 0.00 46.19 45.19 2wg3 s LEU 299 CO 0.04 -0.62 0.02 -0.31 -1.06 0.00 0.00 176.35 174.42 2wg3 s TYR 300 N -3.35 0.11 0.03 3.48 1.51 0.03 -1.95 117.35 117.22 2wg3 s TYR 300 Ca 0.37 0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.60 2wg3 s TYR 300 Cb 0.09 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 2wg3 s TYR 300 CO 0.15 -0.10 -0.23 0.14 -1.11 0.00 0.00 175.55 174.41 2wg3 s VAL 301 N 1.06 1.82 -0.11 0.71 -7.23 0.25 -1.80 120.40 115.10 2wg3 s VAL 301 Ca -0.09 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2wg3 s VAL 301 Cb -0.13 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2wg3 s VAL 301 CO -0.03 0.32 -0.12 -0.94 -0.31 0.00 0.00 175.10 174.02 2wg3 s SER 302 N -1.05 4.16 0.04 4.85 1.04 -0.91 0.04 113.70 121.88 2wg3 s SER 302 Ca 0.09 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 56.05 2wg3 s SER 302 Cb -0.09 -1.43 0.05 0.00 0.10 0.00 0.00 66.02 64.65 2wg3 s SER 302 CO 0.01 0.22 0.50 -0.72 0.98 0.00 0.00 173.24 174.24 2wg3 s TYR 303 N 0.01 -0.40 0.19 5.02 1.13 -0.29 -0.59 117.35 122.41 2wg3 s TYR 303 Ca -0.03 0.45 -0.20 0.00 -1.41 0.00 0.00 57.07 55.87 2wg3 s TYR 303 Cb -0.14 0.32 -0.08 0.00 -1.10 0.00 0.00 41.96 40.96 2wg3 s TYR 303 CO 0.04 -0.63 0.70 0.95 -2.51 0.00 0.00 175.55 174.10 2wg3 s THR 304 N -2.39 4.58 0.03 -3.49 -4.23 -0.93 -0.23 115.64 108.97 2wg3 s THR 304 Ca -0.06 1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 61.67 2wg3 s THR 304 Cb -0.01 -3.90 0.01 0.00 1.34 0.00 0.00 72.50 69.94 2wg3 s THR 304 CO -0.01 0.31 0.21 0.28 -0.54 0.00 0.00 174.62 174.86 2wg3 s THR 305 N -1.40 0.10 0.64 3.99 -1.32 -0.20 -2.33 115.64 115.11 2wg3 s THR 305 Ca 0.40 -0.81 -0.15 0.00 -1.21 0.00 0.00 61.69 59.92 2wg3 s THR 305 Cb -0.18 -0.82 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2wg3 s THR 305 CO 0.21 -0.45 1.09 0.20 -2.21 0.00 0.00 174.62 173.47 2wg3 s ASN 306 N -1.92 5.37 0.00 8.08 0.01 -1.26 -1.67 114.94 123.55 2wg3 s ASN 306 Ca -0.07 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.99 2wg3 s ASN 306 Cb -0.02 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2wg3 s ASN 306 CO -0.02 -1.45 0.00 -0.67 -1.51 0.00 0.00 177.10 173.45 2wg3 n ASP 316 N -2.32 0.00 -4.66 -1.22 2.03 -1.26 -4.89 116.55 104.23 2wg3 n ASP 316 Ca 0.10 0.53 -0.39 0.00 0.52 0.00 0.00 54.79 55.55 2wg3 n ASP 316 Cb 0.52 -0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 40.05 2wg3 n ASP 316 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2wg3 s HIS 317 N 0.00 3.36 0.06 -0.67 3.76 -1.26 -5.07 115.29 115.47 2wg3 s HIS 317 Ca 0.00 0.66 0.05 0.00 -0.15 0.00 0.00 55.06 55.62 2wg3 s HIS 317 Cb 0.00 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 2wg3 s HIS 317 CO 0.00 -0.06 -0.13 0.96 -0.85 0.00 0.00 174.74 174.65 2wg3 s ILE 318 N 1.50 1.03 -0.33 0.60 -4.36 -0.67 -1.19 121.20 117.78 2wg3 s ILE 318 Ca 0.21 -1.19 -0.16 0.00 -0.26 0.00 0.00 60.65 59.25 2wg3 s ILE 318 Cb -0.15 -0.99 -0.01 0.00 1.25 0.00 0.00 42.46 42.56 2wg3 s ILE 318 CO 0.09 -0.19 0.42 -0.22 0.24 0.00 0.00 174.94 175.28 2wg3 s LEU 319 N -1.55 4.33 0.02 0.37 2.96 -0.10 -1.03 118.68 123.67 2wg3 s LEU 319 Ca -0.02 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 2wg3 s LEU 319 Cb -0.09 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 2wg3 s LEU 319 CO 0.02 -0.36 0.27 -0.13 -1.32 0.00 0.00 176.35 174.83 2wg3 s ARG 320 N 2.17 3.58 -0.20 1.98 0.52 0.68 -0.96 118.95 126.71 2wg3 s ARG 320 Ca 0.15 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.26 2wg3 s ARG 320 Cb -0.16 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 2wg3 s ARG 320 CO 0.12 0.64 -0.08 0.08 0.02 0.00 0.00 175.30 176.07 2wg3 s VAL 321 N -1.32 3.08 -0.01 3.52 1.01 -0.90 -1.14 120.40 124.64 2wg3 s VAL 321 Ca 0.28 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2wg3 s VAL 321 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2wg3 s VAL 321 CO 0.17 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 174.85 2wg3 s VAL 322 N 1.31 1.44 -0.12 2.92 1.01 0.11 -1.43 120.40 125.63 2wg3 s VAL 322 Ca 0.04 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2wg3 s VAL 322 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2wg3 s VAL 322 CO -0.04 0.37 0.39 -0.70 0.00 0.00 0.00 175.10 175.12 2wg3 s GLU 323 N -0.52 4.24 0.21 2.72 2.12 -0.10 -0.58 118.70 126.79 2wg3 s GLU 323 Ca 0.07 0.29 0.11 0.00 0.36 0.00 0.00 54.97 55.80 2wg3 s GLU 323 Cb -0.07 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 2wg3 s GLU 323 CO -0.00 0.26 -0.22 0.71 -0.54 0.00 0.00 175.26 175.47 2wg3 s TYR 324 N 0.34 2.18 -0.04 5.30 2.02 -0.82 -0.79 117.35 125.53 2wg3 s TYR 324 Ca 0.22 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2wg3 s TYR 324 Cb -0.14 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2wg3 s TYR 324 CO 0.08 0.51 -0.24 0.99 -1.57 0.00 0.00 175.55 175.32 2wg3 s THR 325 N -1.99 1.96 0.60 -0.71 2.01 -1.26 -0.93 115.64 115.33 2wg3 s THR 325 Ca 0.22 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 2wg3 s THR 325 Cb -0.07 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2wg3 s THR 325 CO 0.10 0.55 1.33 0.55 -0.69 0.00 0.00 174.62 176.46 2wg3 n VAL 326 N 2.83 4.40 -2.16 3.82 3.14 -0.27 -1.61 118.33 128.48 2wg3 n VAL 326 Ca -0.17 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.32 2wg3 n VAL 326 Cb 0.52 -1.58 -0.01 0.00 -1.06 0.00 0.00 33.84 31.71 2wg3 n VAL 326 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2wg3 s SER 327 N -1.14 6.29 0.38 6.55 1.04 -0.63 -4.57 113.70 121.62 2wg3 s SER 327 Ca 0.77 2.49 0.28 0.00 0.48 0.00 0.00 55.95 59.97 2wg3 s SER 327 Cb -0.40 -2.62 1.04 0.00 0.10 0.00 0.00 66.02 64.13 2wg3 s SER 327 CO 0.45 -0.85 1.81 0.08 0.98 0.00 0.00 173.24 175.71 2wg3 h ARG 328 N 2.48 0.00 -0.02 4.02 0.11 -1.92 -3.17 114.38 115.89 2wg3 h ARG 328 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2wg3 h ARG 328 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2wg3 h ARG 328 CO 0.62 0.00 -0.30 1.63 0.10 0.00 0.00 179.97 182.02 2wg3 n LYS 329 N -2.66 1.56 -3.29 0.08 5.02 -1.26 -4.32 118.16 113.29 2wg3 n LYS 329 Ca 0.02 -1.09 -0.06 0.00 -2.02 0.00 0.00 58.31 55.17 2wg3 n LYS 329 Cb 0.32 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.02 -0.09 0.65 4.39 3.84 -1.20 -5.02 114.94 115.48 2wg3 s ASN 330 Ca 0.17 0.13 0.43 0.00 0.21 0.00 0.00 52.86 53.80 2wg3 s ASN 330 Cb 0.15 1.34 2.25 0.00 -0.55 0.00 0.00 41.25 44.45 2wg3 s ASN 330 CO 0.42 -0.31 2.31 -0.65 -2.79 0.00 0.00 177.10 176.08 2wg3 h PRO 331 N 8.14 0.00 -0.58 0.43 0.11 -1.86 -2.73 132.00 135.50 2wg3 h PRO 331 Ca -0.15 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.77 2wg3 h PRO 331 Cb 1.15 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 2wg3 h PRO 331 CO 0.26 0.00 0.18 0.72 -0.21 0.00 0.00 178.00 178.94 2wg3 n HIS 332 N -3.08 1.91 -3.66 0.65 8.25 -1.26 -4.88 115.22 113.15 2wg3 n HIS 332 Ca -0.02 -1.27 -0.07 0.00 -0.26 0.00 0.00 57.72 56.10 2wg3 n HIS 332 Cb 0.11 -0.59 -0.08 0.00 1.12 0.00 0.00 29.99 30.55 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 -3.04 0.48 0.48 -0.41 0.74 -1.03 -4.37 119.66 112.50 2wg3 s GLN 333 Ca 0.50 1.14 -0.22 0.00 0.05 0.00 0.00 55.36 56.83 2wg3 s GLN 333 Cb 0.42 0.38 -0.07 0.00 1.10 0.00 0.00 33.01 34.83 2wg3 s GLN 333 CO 0.09 -0.20 1.18 0.08 -0.55 0.00 0.00 175.29 175.90 2wg3 s VAL 334 N 2.27 3.00 -0.56 1.34 1.01 0.45 -1.61 120.40 126.30 2wg3 s VAL 334 Ca -0.06 0.74 -0.20 0.00 0.00 0.00 0.00 61.98 62.45 2wg3 s VAL 334 Cb -0.10 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2wg3 s VAL 334 CO -0.16 -0.02 0.76 -0.62 0.00 0.00 0.00 175.10 175.06 2wg3 s ASP 335 N -1.35 6.22 0.57 3.32 -1.08 -0.63 -4.65 116.67 119.07 2wg3 s ASP 335 Ca 0.65 -0.96 0.27 0.00 -0.52 0.00 0.00 52.55 51.99 2wg3 s ASP 335 Cb -0.29 -2.34 1.54 0.00 -1.46 0.00 0.00 42.92 40.37 2wg3 s ASP 335 CO 0.35 -1.10 2.04 -0.07 0.52 0.00 0.00 175.17 176.91 2wg3 h LEU 336 N 10.27 0.00 -1.60 -1.34 3.38 -1.94 -0.61 115.31 123.47 2wg3 h LEU 336 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wg3 h LEU 336 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2wg3 h LEU 336 CO 1.06 0.00 0.00 0.03 0.09 0.00 0.00 178.44 179.62 2wg3 h ARG 337 N 0.00 0.00 -0.89 1.13 3.08 -1.95 -3.24 114.38 112.51 2wg3 h ARG 337 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wg3 h ARG 337 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 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 -2.98 0.31 -2.11 2.04 -2.24 -0.24 -4.91 114.28 104.16 2wg3 n THR 338 Ca 0.00 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 2wg3 n THR 338 Cb 0.26 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 2wg3 n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wg3 s ALA 339 N -1.26 3.58 -0.29 6.98 0.00 -1.23 -4.21 121.76 125.33 2wg3 s ALA 339 Ca 0.06 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 2wg3 s ALA 339 Cb 0.05 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.77 2wg3 s ALA 339 CO 0.02 -0.64 0.25 0.50 0.00 0.00 0.00 175.76 175.89 2wg3 s ARG 340 N -0.24 0.28 0.29 0.00 3.52 0.03 -4.98 118.95 117.86 2wg3 s ARG 340 Ca 0.58 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 55.64 2wg3 s ARG 340 Cb -0.39 -0.80 -0.10 0.00 -1.56 0.00 0.00 34.95 32.10 2wg3 s ARG 340 CO 0.41 -1.02 1.23 0.08 -0.81 0.00 0.00 175.30 175.18 2wg3 s VAL 341 N 2.29 3.09 -0.11 7.11 1.01 -1.26 -0.92 120.40 131.60 2wg3 s VAL 341 Ca 0.09 1.06 -0.07 0.00 0.00 0.00 0.00 61.98 63.06 2wg3 s VAL 341 Cb -0.14 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2wg3 s VAL 341 CO -0.34 0.24 -0.16 0.49 0.00 0.00 0.00 175.10 175.33 2wg3 n PHE 342 N 1.25 0.00 -4.29 5.22 0.99 -0.52 -4.90 117.46 115.21 2wg3 n PHE 342 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.26 2wg3 n PHE 342 Cb 0.43 -0.41 -0.13 0.00 -1.00 0.00 0.00 39.48 38.37 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 -6.78 2.20 -0.12 4.37 1.02 -1.14 -4.99 118.68 113.24 2wg3 s LEU 343 Ca -0.17 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 53.47 2wg3 s LEU 343 Cb 0.06 -0.56 0.04 0.00 0.02 0.00 0.00 46.19 45.74 2wg3 s LEU 343 CO 0.21 -0.00 -0.01 -1.61 0.02 0.00 0.00 176.35 174.96 2wg3 s GLU 344 N -1.29 0.91 -0.28 1.70 2.02 -1.26 -2.12 118.70 118.38 2wg3 s GLU 344 Ca 0.00 -0.17 -0.07 0.00 0.02 0.00 0.00 54.97 54.75 2wg3 s GLU 344 Cb -0.08 -1.50 -0.00 0.00 0.10 0.00 0.00 34.13 32.65 2wg3 s GLU 344 CO 0.01 -0.39 0.07 0.08 0.02 0.00 0.00 175.26 175.05 2wg3 s VAL 345 N 1.85 4.03 0.21 2.63 1.01 -0.14 -4.96 120.40 125.03 2wg3 s VAL 345 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2wg3 s VAL 345 Cb -0.14 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 2wg3 s VAL 345 CO -0.07 0.18 1.44 0.00 0.00 0.00 0.00 175.10 176.65 2wg3 s ALA 346 N 1.53 3.63 -0.06 5.51 0.00 -1.26 -0.92 121.76 130.20 2wg3 s ALA 346 Ca 0.04 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.31 2wg3 s ALA 346 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2wg3 s ALA 346 CO 0.02 -0.70 -0.16 -1.21 0.00 0.00 0.00 175.76 173.72 2wg3 s GLU 347 N 0.14 1.86 0.29 0.00 0.41 -0.33 -4.70 118.70 116.37 2wg3 s GLU 347 Ca 0.62 -0.55 0.23 0.00 -0.41 0.00 0.00 54.97 54.85 2wg3 s GLU 347 Cb -0.41 -1.55 0.16 0.00 -1.78 0.00 0.00 34.13 30.55 2wg3 s GLU 347 CO 0.38 0.15 1.28 -0.07 -0.49 0.00 0.00 175.26 176.51 2wg3 h LEU 348 N 6.59 0.00 0.00 1.80 -0.00 -1.84 -3.39 115.31 118.47 2wg3 h LEU 348 Ca -0.30 -0.01 -0.53 0.00 -0.00 0.00 0.00 57.88 57.04 2wg3 h LEU 348 Cb 1.19 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.73 2wg3 h LEU 348 CO 0.48 0.01 -0.44 1.41 -0.00 0.00 0.00 178.44 179.89 2wg3 n HIS 349 N -2.80 0.12 0.09 1.13 8.25 -1.26 -5.06 115.22 115.69 2wg3 n HIS 349 Ca 0.02 -2.48 0.04 0.00 -0.26 0.00 0.00 57.72 55.04 2wg3 n HIS 349 Cb 0.54 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.87 1.61 -4.56 -0.41 5.12 -1.26 -5.01 116.66 111.28 2wg3 n ARG 350 Ca -0.05 -1.48 -0.26 0.00 -1.93 0.00 0.00 57.85 54.12 2wg3 n ARG 350 Cb 0.58 -1.18 -0.09 0.00 -1.16 0.00 0.00 32.46 30.61 2wg3 n ARG 350 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wg3 s LYS 351 N -0.86 1.92 -1.47 5.56 1.02 -1.26 -1.63 119.74 123.03 2wg3 s LYS 351 Ca 0.14 -2.16 -0.09 0.00 0.02 0.00 0.00 55.97 53.87 2wg3 s LYS 351 Cb 0.08 -0.93 0.06 0.00 -0.52 0.00 0.00 37.83 36.52 2wg3 s LYS 351 CO 0.11 -0.36 0.86 0.72 -0.92 0.00 0.00 175.35 175.77 2wg3 n HIS 352 N -0.94 -2.13 -0.01 3.18 8.25 -1.26 -4.26 115.22 118.04 2wg3 n HIS 352 Ca -0.08 0.87 -0.19 0.00 -0.26 0.00 0.00 57.72 58.07 2wg3 n HIS 352 Cb 0.66 -4.04 -0.14 0.00 1.12 0.00 0.00 29.99 27.59 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 -1.99 0.27 0.00 2.41 3.38 -1.86 0.03 115.31 117.55 2wg3 h LEU 353 Ca -0.59 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.48 2wg3 h LEU 353 Cb 1.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wg3 h LEU 353 CO 0.64 1.35 0.00 0.61 0.09 0.00 0.00 178.44 181.13 2wg3 n GLY 354 N 1.64 0.31 0.00 0.83 0.00 -1.26 -0.93 105.19 105.79 2wg3 n GLY 354 Ca -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 1.82 3.68 -0.02 0.00 0.10 -4.86 105.19 105.92 2wg3 n GLY 355 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 2.34 -4.63 1.61 7.27 -1.19 -4.37 117.38 118.42 2wg3 n GLN 356 Ca 0.00 0.85 -0.32 0.00 0.07 0.00 0.00 57.00 57.60 2wg3 n GLN 356 Cb 0.00 -2.66 -0.12 0.00 2.41 0.00 0.00 30.24 29.87 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 1.65 2.90 -0.12 1.69 1.43 -1.26 -1.27 118.68 123.69 2wg3 s LEU 357 Ca 0.81 -0.24 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 2wg3 s LEU 357 Cb -0.63 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.00 2wg3 s LEU 357 CO 0.39 0.29 0.67 -1.48 0.23 0.00 0.00 176.35 176.45 2wg3 s LEU 358 N -1.25 -0.61 -0.17 1.79 0.05 -0.89 -4.65 118.68 112.96 2wg3 s LEU 358 Ca 0.15 0.93 -0.09 0.00 0.05 0.00 0.00 54.13 55.17 2wg3 s LEU 358 Cb -0.11 2.45 -0.05 0.00 -2.05 0.00 0.00 46.19 46.43 2wg3 s LEU 358 CO 0.05 -0.48 0.15 -0.36 -0.55 0.00 0.00 176.35 175.16 2wg3 s PHE 359 N -0.66 3.48 0.75 3.48 0.08 -1.26 -0.39 117.98 123.46 2wg3 s PHE 359 Ca -0.07 0.43 -0.09 0.00 0.12 0.00 0.00 56.93 57.31 2wg3 s PHE 359 Cb -0.02 -2.11 0.07 0.00 -0.57 0.00 0.00 43.02 40.40 2wg3 s PHE 359 CO 0.07 0.44 1.09 0.20 -0.10 0.00 0.00 175.22 176.91 2wg3 s GLY 360 N -0.10 1.65 0.24 4.36 0.00 -0.80 -4.92 107.32 107.74 2wg3 s GLY 360 Ca 0.11 -0.83 0.18 0.00 0.00 0.00 0.00 44.72 44.18 2wg3 s GLY 360 CO 0.01 -0.38 1.54 -1.05 0.00 0.00 0.00 173.10 173.22 2wg3 n PRO 361 N -3.10 0.12 0.00 2.90 -0.02 -1.26 -0.83 135.00 132.80 2wg3 n PRO 361 Ca 0.08 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2wg3 n PRO 361 Cb 0.61 -1.85 0.64 0.00 -0.02 0.00 0.00 33.50 32.88 2wg3 n PRO 361 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2wg3 n ASP 362 N -2.09 0.00 0.00 2.55 3.85 -1.26 -4.92 116.55 114.68 2wg3 n ASP 362 Ca -0.00 0.18 0.00 0.00 -0.71 0.00 0.00 54.79 54.26 2wg3 n ASP 362 Cb 0.06 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 2wg3 n ASP 362 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wg3 n GLY 363 N 1.19 0.74 3.85 6.12 0.00 -0.01 -5.04 105.19 112.04 2wg3 n GLY 363 Ca 0.10 0.00 -0.35 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 -2.72 3.59 -0.23 1.61 2.99 -1.26 -4.79 117.98 117.18 2wg3 s PHE 364 Ca 0.00 0.95 -0.28 0.00 0.00 0.00 0.00 56.93 57.60 2wg3 s PHE 364 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 43.02 40.74 2wg3 s PHE 364 CO 0.00 0.45 0.97 -1.17 -0.00 0.00 0.00 175.22 175.47 2wg3 s LEU 365 N -1.99 4.10 -0.09 -0.37 2.96 -0.04 -1.91 118.68 121.35 2wg3 s LEU 365 Ca 0.36 1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 55.48 2wg3 s LEU 365 Cb -0.14 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2wg3 s LEU 365 CO 0.19 -0.61 0.18 -0.31 -1.32 0.00 0.00 176.35 174.48 2wg3 s TYR 366 N 3.01 3.61 -0.11 5.38 2.02 0.48 -0.38 117.35 131.36 2wg3 s TYR 366 Ca 0.41 0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 57.67 2wg3 s TYR 366 Cb -0.15 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2wg3 s TYR 366 CO 0.07 0.71 -0.07 0.42 -1.57 0.00 0.00 175.55 175.11 2wg3 s ILE 367 N -1.08 0.98 -0.45 2.71 1.01 -0.80 -2.08 121.20 121.48 2wg3 s ILE 367 Ca 0.18 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 2wg3 s ILE 367 Cb -0.13 -1.00 0.07 0.00 0.01 0.00 0.00 42.46 41.41 2wg3 s ILE 367 CO 0.07 0.36 0.36 -0.63 0.00 0.00 0.00 174.94 175.10 2wg3 s ILE 368 N 1.63 5.05 -0.15 2.92 1.01 -0.40 -0.82 121.20 130.46 2wg3 s ILE 368 Ca 0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 2wg3 s ILE 368 Cb -0.13 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2wg3 s ILE 368 CO -0.07 -0.53 -0.02 -0.76 0.00 0.00 0.00 174.94 173.56 2wg3 s LEU 369 N 1.61 3.37 0.99 2.97 1.43 -0.80 0.03 118.68 128.29 2wg3 s LEU 369 Ca 0.04 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.93 2wg3 s LEU 369 Cb -0.23 -1.81 0.19 0.00 0.03 0.00 0.00 46.19 44.37 2wg3 s LEU 369 CO 0.06 0.21 1.19 -0.83 0.23 0.00 0.00 176.35 177.21 2wg3 s GLY 370 N 0.13 1.65 0.00 -3.19 0.00 -0.11 -1.63 107.32 104.18 2wg3 s GLY 370 Ca -0.00 -0.86 0.31 0.00 0.00 0.00 0.00 44.72 44.17 2wg3 s GLY 370 CO 0.02 -0.15 2.09 2.09 0.00 0.00 0.00 173.10 177.15 2wg3 n ASP 371 N -3.99 0.00 0.00 1.64 5.68 -0.16 -1.04 116.55 118.68 2wg3 n ASP 371 Ca 0.11 -0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 2wg3 n ASP 371 Cb 0.59 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 1.20 0.19 2.41 6.12 0.00 -0.02 -1.25 105.19 113.84 2wg3 n GLY 372 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.90 -1.68 -2.78 1.61 0.00 -1.26 -4.10 117.12 108.01 2wg3 n MET 373 Ca 0.00 1.02 -0.42 0.00 0.00 0.00 0.00 57.70 58.30 2wg3 n MET 373 Cb 0.21 -5.67 -0.03 0.00 0.00 0.00 0.00 33.22 27.72 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 -3.02 4.68 0.68 2.02 -1.09 -0.38 -4.98 121.20 119.10 2wg3 s ILE 374 Ca 0.00 1.57 -0.09 0.00 -2.23 0.00 0.00 60.65 59.89 2wg3 s ILE 374 Cb 0.00 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2wg3 s ILE 374 CO 0.00 -0.30 1.03 0.42 -1.23 0.00 0.00 174.94 174.86 2wg3 s THR 375 N 3.24 3.27 0.25 2.92 -4.23 -1.26 -4.96 115.64 114.87 2wg3 s THR 375 Ca 0.39 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2wg3 s THR 375 Cb -0.14 -3.37 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2wg3 s THR 375 CO 0.12 -0.44 1.61 0.25 -0.54 0.00 0.00 174.62 175.61 2wg3 h LEU 376 N -0.53 0.33 -0.82 4.79 5.85 -1.99 -2.29 115.31 120.66 2wg3 h LEU 376 Ca -0.45 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.16 2wg3 h LEU 376 Cb 1.27 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2wg3 h LEU 376 CO 0.63 0.78 0.51 0.44 -0.34 0.00 0.00 178.44 180.46 2wg3 h ASP 377 N 0.24 0.81 -0.74 1.25 3.32 -1.99 -0.80 116.42 118.51 2wg3 h ASP 377 Ca 0.01 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.16 2wg3 h ASP 377 Cb 0.97 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.30 2wg3 h ASP 377 CO 0.08 0.53 0.39 0.44 -1.72 0.00 0.00 179.24 178.97 2wg3 h ASP 378 N 0.95 0.55 1.18 6.45 3.32 -1.80 -0.66 116.42 126.40 2wg3 h ASP 378 Ca 0.35 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.35 2wg3 h ASP 378 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2wg3 h ASP 378 CO -0.16 0.32 -0.47 0.24 -1.72 0.00 0.00 179.24 177.46 2wg3 h MET 379 N 0.68 0.00 0.00 3.56 2.86 -0.96 -1.89 114.93 119.17 2wg3 h MET 379 Ca 0.36 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.82 2wg3 h MET 379 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2wg3 h MET 379 CO -0.25 0.47 -0.85 0.93 1.06 0.00 0.00 176.91 178.27 2wg3 h GLU 380 N 0.00 0.00 0.00 1.72 5.08 -0.85 -3.40 114.58 117.13 2wg3 h GLU 380 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wg3 h GLU 380 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wg3 h GLU 380 CO 0.06 0.84 -1.67 0.39 -1.00 0.00 0.00 179.01 177.63 2wg3 n GLU 381 N -3.31 0.63 -4.18 2.33 1.02 -0.28 -4.94 120.64 111.91 2wg3 n GLU 381 Ca 0.00 -0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 2wg3 n GLU 381 Cb 0.88 -1.45 -0.17 0.00 -0.02 0.00 0.00 31.44 30.69 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 -3.23 2.07 0.46 3.49 -1.94 -0.72 -5.07 119.30 114.36 2wg3 s MET 382 Ca -0.04 -0.48 -0.22 0.00 -1.71 0.00 0.00 55.69 53.24 2wg3 s MET 382 Cb 0.13 -1.88 -0.08 0.00 2.01 0.00 0.00 34.83 35.01 2wg3 s MET 382 CO 0.80 -0.17 1.09 -0.51 -0.01 0.00 0.00 175.02 176.22 2wg3 s ASP 383 N 1.32 6.32 0.00 3.03 1.01 -1.26 -4.02 116.67 123.06 2wg3 s ASP 383 Ca -0.00 2.09 0.00 0.00 0.71 0.00 0.00 52.55 55.35 2wg3 s ASP 383 Cb -0.14 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2wg3 s ASP 383 CO -0.06 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.13 2wg3 n GLY 384 N 0.16 0.47 3.88 0.21 0.00 -1.26 -5.07 105.19 103.58 2wg3 n GLY 384 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 2.41 -0.25 0.99 1.43 -1.26 -4.54 118.68 117.47 2wg3 s LEU 385 Ca 0.00 0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 2wg3 s LEU 385 Cb 0.00 -3.13 -0.11 0.00 0.03 0.00 0.00 46.19 42.98 2wg3 s LEU 385 CO 0.00 -2.17 -0.32 -0.24 0.23 0.00 0.00 176.35 173.85 2wg3 n SER 386 N -3.48 1.76 0.00 2.29 2.88 -1.26 -4.97 113.62 110.83 2wg3 n SER 386 Ca 0.09 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2wg3 n SER 386 Cb 0.60 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2wg3 n SER 386 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2wg3 n ASP 387 N -4.12 0.00 0.05 -3.46 8.00 -1.26 -4.84 116.55 110.91 2wg3 n ASP 387 Ca -0.48 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.13 2wg3 n ASP 387 Cb 0.84 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.86 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 0.47 -1.95 1.24 3.72 -1.26 -4.96 117.46 112.73 2wg3 n PHE 388 Ca 0.00 0.14 -0.36 0.00 -0.05 0.00 0.00 57.45 57.17 2wg3 n PHE 388 Cb 0.00 -0.67 0.04 0.00 -0.94 0.00 0.00 39.48 37.91 2wg3 n PHE 388 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wg3 s THR 389 N -3.37 2.48 -1.06 4.37 -4.23 -1.26 -2.74 115.64 109.83 2wg3 s THR 389 Ca -0.02 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 2wg3 s THR 389 Cb 0.12 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2wg3 s THR 389 CO 0.83 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 2wg3 n GLY 390 N 0.61 1.12 3.28 3.99 0.00 -0.20 -4.81 105.19 109.18 2wg3 n GLY 390 Ca 0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.72 2.23 -0.24 1.61 0.01 -0.86 -1.94 113.70 111.78 2wg3 s SER 391 Ca 0.00 -0.89 -0.15 0.00 1.31 0.00 0.00 55.95 56.22 2wg3 s SER 391 Cb 0.00 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 2wg3 s SER 391 CO 0.00 -0.15 0.35 -0.69 0.41 0.00 0.00 173.24 173.16 2wg3 s VAL 392 N -2.47 5.21 0.27 3.43 1.01 0.54 -1.90 120.40 126.49 2wg3 s VAL 392 Ca 0.14 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 2wg3 s VAL 392 Cb -0.03 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2wg3 s VAL 392 CO 0.04 0.21 0.57 -0.76 0.00 0.00 0.00 175.10 175.16 2wg3 s LEU 393 N 1.71 4.09 -0.09 3.92 1.43 0.00 -0.57 118.68 129.16 2wg3 s LEU 393 Ca 0.15 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2wg3 s LEU 393 Cb -0.15 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.46 2wg3 s LEU 393 CO 0.09 -0.15 -0.04 -0.60 0.23 0.00 0.00 176.35 175.88 2wg3 s ARG 394 N -3.23 1.07 0.16 1.70 3.52 -0.41 -1.90 118.95 119.86 2wg3 s ARG 394 Ca 0.46 -0.09 0.08 0.00 -0.13 0.00 0.00 55.73 56.06 2wg3 s ARG 394 Cb -0.11 -1.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 2wg3 s ARG 394 CO 0.26 -0.29 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.77 2wg3 s LEU 395 N 1.84 2.43 -0.35 -0.88 1.43 0.49 -4.68 118.68 118.96 2wg3 s LEU 395 Ca 0.05 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 2wg3 s LEU 395 Cb -0.12 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.38 2wg3 s LEU 395 CO -0.07 -0.05 0.09 -0.62 0.23 0.00 0.00 176.35 175.93 2wg3 s ASP 396 N -2.62 5.09 0.00 2.29 2.15 -0.62 -0.86 116.67 122.11 2wg3 s ASP 396 Ca 0.14 -1.54 0.23 0.00 0.43 0.00 0.00 52.55 51.82 2wg3 s ASP 396 Cb -0.06 -1.78 0.70 0.00 -0.30 0.00 0.00 42.92 41.48 2wg3 s ASP 396 CO 0.06 -0.38 1.53 1.33 -0.17 0.00 0.00 175.17 177.55 2wg3 n VAL 397 N 4.64 0.19 -2.38 1.11 0.24 -1.26 -0.80 118.33 120.07 2wg3 n VAL 397 Ca -0.09 -0.41 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 2wg3 n VAL 397 Cb 0.43 0.63 0.01 0.00 -1.47 0.00 0.00 33.84 33.44 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 0.62 7.43 -4.82 -1.34 8.00 -1.26 -4.45 116.55 120.72 2wg3 n ASP 398 Ca 0.17 -3.41 -0.25 0.00 0.71 0.00 0.00 54.79 52.02 2wg3 n ASP 398 Cb 0.41 -1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 40.19 2wg3 n ASP 398 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wg3 s THR 399 N -2.61 4.58 -1.89 -3.53 -1.32 -1.26 -4.93 115.64 104.67 2wg3 s THR 399 Ca 0.45 -1.13 0.17 0.00 -1.21 0.00 0.00 61.69 59.97 2wg3 s THR 399 Cb 0.17 -3.38 0.27 0.00 -1.51 0.00 0.00 72.50 68.05 2wg3 s THR 399 CO -0.09 -0.18 1.18 0.47 -2.21 0.00 0.00 174.62 173.80 2wg3 n ASP 400 N -0.62 2.83 -4.81 8.08 8.00 -1.26 -4.67 116.55 124.09 2wg3 n ASP 400 Ca -0.08 -1.83 -0.33 0.00 0.71 0.00 0.00 54.79 53.26 2wg3 n ASP 400 Cb 0.56 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.28 4.18 -0.11 -1.24 -1.94 -1.26 -4.98 119.30 112.67 2wg3 s MET 401 Ca 0.26 1.17 0.19 0.00 -1.71 0.00 0.00 55.69 55.60 2wg3 s MET 401 Cb 0.16 -2.19 -0.27 0.00 2.01 0.00 0.00 34.83 34.54 2wg3 s MET 401 CO 0.23 -0.08 0.30 0.00 -0.01 0.00 0.00 175.02 175.46 2wg3 n ASN 403 N -2.58 0.00 -3.70 0.00 0.23 -1.26 -4.75 115.26 103.21 2wg3 n ASN 403 Ca -0.20 -1.90 -0.11 0.00 -0.53 0.00 0.00 54.58 51.85 2wg3 n ASN 403 Cb 0.91 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.49 2wg3 n ASN 403 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2wg3 s VAL 404 N -2.00 -0.15 0.06 3.53 0.11 -1.26 -5.03 120.40 115.67 2wg3 s VAL 404 Ca 0.02 0.13 0.24 0.00 -2.93 0.00 0.00 61.98 59.45 2wg3 s VAL 404 Cb 0.01 -0.55 0.25 0.00 -1.53 0.00 0.00 36.38 34.56 2wg3 s VAL 404 CO 0.02 0.06 1.80 1.55 -3.33 0.00 0.00 175.10 175.19 2wg3 h PRO 405 N 7.39 0.00 -3.50 1.54 0.13 -1.89 -3.44 132.00 132.23 2wg3 h PRO 405 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 2wg3 h PRO 405 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2wg3 h PRO 405 CO 0.28 0.20 -0.02 1.52 -0.23 0.00 0.00 178.00 179.75 2wg3 s TYR 406 N -3.56 0.28 0.43 1.56 -0.85 -1.26 -4.80 117.35 109.15 2wg3 s TYR 406 Ca 0.01 -0.68 0.03 0.00 -0.52 0.00 0.00 57.07 55.92 2wg3 s TYR 406 Cb 0.09 0.33 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 2wg3 s TYR 406 CO 0.64 -1.11 0.10 -1.54 -1.52 0.00 0.00 175.55 172.12 2wg3 s SER 407 N -3.02 3.10 -0.20 -0.18 1.04 0.02 -5.00 113.70 109.46 2wg3 s SER 407 Ca 0.20 -1.67 -0.03 0.00 0.48 0.00 0.00 55.95 54.93 2wg3 s SER 407 Cb -0.02 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 2wg3 s SER 407 CO 0.10 -0.91 -0.05 -0.63 0.98 0.00 0.00 173.24 172.73 2wg3 s ILE 408 N -3.13 3.43 0.40 -1.02 -1.09 -1.26 -1.58 121.20 116.95 2wg3 s ILE 408 Ca 0.20 -0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 57.86 2wg3 s ILE 408 Cb 0.02 -2.54 -0.10 0.00 -1.58 0.00 0.00 42.46 38.26 2wg3 s ILE 408 CO 0.12 0.45 1.46 -2.65 -1.23 0.00 0.00 174.94 173.09 2wg3 n PRO 409 N 4.41 2.52 0.30 2.79 -0.02 -1.26 -4.86 135.00 138.87 2wg3 n PRO 409 Ca -0.18 0.89 0.20 0.00 -2.02 0.00 0.00 63.50 62.38 2wg3 n PRO 409 Cb 0.51 -2.63 0.95 0.00 -0.02 0.00 0.00 33.50 32.31 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 2.73 0.00 -0.00 -0.52 3.08 -2.00 -1.03 114.38 116.64 2wg3 h ARG 410 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2wg3 h ARG 410 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2wg3 h ARG 410 CO 0.63 0.00 -0.08 -1.13 -1.07 0.00 0.00 179.97 178.32 2wg3 n SER 411 N -2.99 0.58 -4.76 7.04 3.41 -1.26 -4.83 113.62 110.80 2wg3 n SER 411 Ca -0.01 -0.80 -0.39 0.00 -0.26 0.00 0.00 58.87 57.41 2wg3 n SER 411 Cb 0.17 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2wg3 n SER 411 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wg3 s ASN 412 N -2.32 5.72 0.30 4.04 -0.87 -0.39 -2.18 114.94 119.23 2wg3 s ASN 412 Ca 0.33 2.77 0.25 0.00 -1.57 0.00 0.00 52.86 54.64 2wg3 s ASN 412 Cb 0.20 -2.64 1.05 0.00 -0.02 0.00 0.00 41.25 39.84 2wg3 s ASN 412 CO 0.44 -1.27 1.74 1.55 -2.57 0.00 0.00 177.10 176.99 2wg3 h PRO 413 N 2.00 0.00 0.00 -0.60 0.13 -1.83 -2.83 132.00 128.88 2wg3 h PRO 413 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2wg3 h PRO 413 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2wg3 h PRO 413 CO 0.60 0.00 -0.53 0.72 -0.23 0.00 0.00 178.00 178.55 2wg3 n HIS 414 N -2.34 0.00 -1.89 1.56 8.25 -1.26 -4.52 115.22 115.02 2wg3 n HIS 414 Ca 0.02 -1.35 -0.42 0.00 -0.26 0.00 0.00 57.72 55.70 2wg3 n HIS 414 Cb 0.22 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 2wg3 n HIS 414 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wg3 s PHE 415 N -2.84 2.72 -1.37 4.41 5.36 -1.07 -2.11 117.98 123.07 2wg3 s PHE 415 Ca 0.37 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 2wg3 s PHE 415 Cb 0.37 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 2wg3 s PHE 415 CO -0.08 -3.83 0.00 -1.71 -1.46 0.00 0.00 175.22 168.15 2wg3 n ASN 416 N 4.73 -4.40 -4.77 6.13 4.05 -1.26 -4.96 115.26 114.79 2wg3 n ASN 416 Ca 0.15 0.19 -0.38 0.00 0.45 0.00 0.00 54.58 54.99 2wg3 n ASN 416 Cb 0.39 -3.79 0.00 0.00 1.23 0.00 0.00 39.78 37.61 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 -2.10 6.06 0.07 1.20 0.15 -0.90 -4.95 113.70 113.24 2wg3 s SER 417 Ca 0.00 2.47 0.12 0.00 0.70 0.00 0.00 55.95 59.24 2wg3 s SER 417 Cb 0.00 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.52 2wg3 s SER 417 CO 0.00 -1.00 1.01 0.71 1.20 0.00 0.00 173.24 175.16 2wg3 h THR 418 N 1.97 1.10 0.00 6.45 1.35 -1.92 -3.41 112.91 118.44 2wg3 h THR 418 Ca -0.50 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.58 2wg3 h THR 418 Cb 1.26 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 2wg3 h THR 418 CO 0.60 0.63 -0.04 -0.46 -0.25 0.00 0.00 175.52 176.00 2wg3 n ASN 419 N -3.15 1.54 -3.82 5.36 0.23 -1.26 -5.06 115.26 109.09 2wg3 n ASN 419 Ca -0.07 -2.03 -0.12 0.00 -0.53 0.00 0.00 54.58 51.82 2wg3 n ASN 419 Cb 0.94 -0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 38.44 2wg3 n ASN 419 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2wg3 s GLN 420 N -1.12 0.53 0.01 -3.83 0.74 -1.26 -5.13 119.66 109.60 2wg3 s GLN 420 Ca 0.07 -0.25 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 2wg3 s GLN 420 Cb 0.06 0.23 -0.07 0.00 1.10 0.00 0.00 33.01 34.33 2wg3 s GLN 420 CO 0.01 -0.13 1.62 -1.25 -0.55 0.00 0.00 175.29 174.98 2wg3 s PRO 421 N -1.20 4.20 0.56 1.67 0.04 -1.26 -4.66 135.00 134.35 2wg3 s PRO 421 Ca -0.13 2.22 0.30 0.00 0.04 0.00 0.00 61.00 63.43 2wg3 s PRO 421 Cb -0.06 -3.76 1.66 0.00 0.04 0.00 0.00 34.50 32.38 2wg3 s PRO 421 CO 0.02 -0.75 2.16 -1.35 0.04 0.00 0.00 177.00 177.12 2wg3 h PRO 422 N 8.76 0.00 -0.92 0.56 0.11 -1.93 -2.84 132.00 135.74 2wg3 h PRO 422 Ca -0.41 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.73 2wg3 h PRO 422 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2wg3 h PRO 422 CO 0.93 0.06 0.61 0.93 -0.21 0.00 0.00 178.00 180.32 2wg3 h GLU 423 N 0.00 1.17 -6.26 1.05 3.07 -1.87 -3.42 114.58 108.32 2wg3 h GLU 423 Ca -0.00 -0.07 -0.55 0.00 -0.50 0.00 0.00 59.36 58.24 2wg3 h GLU 423 Cb 0.19 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2wg3 h GLU 423 CO 0.01 0.77 1.10 0.08 -1.40 0.00 0.00 179.01 179.57 2wg3 s VAL 424 N -6.11 3.60 -0.12 3.13 1.01 -1.07 -1.29 120.40 119.55 2wg3 s VAL 424 Ca -0.13 0.72 0.20 0.00 0.00 0.00 0.00 61.98 62.77 2wg3 s VAL 424 Cb 0.18 -3.49 -0.29 0.00 0.00 0.00 0.00 36.38 32.78 2wg3 s VAL 424 CO 0.80 -0.09 0.26 0.33 0.00 0.00 0.00 175.10 176.40 2wg3 n PHE 425 N 7.36 0.00 -3.63 5.22 7.35 0.26 -4.56 117.46 129.46 2wg3 n PHE 425 Ca 0.18 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.81 2wg3 n PHE 425 Cb 0.43 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 39.49 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 -2.96 -1.78 0.30 3.13 0.00 -1.02 -4.10 121.76 115.32 2wg3 s ALA 426 Ca -0.09 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.31 2wg3 s ALA 426 Cb 0.10 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2wg3 s ALA 426 CO 0.85 -0.88 0.64 -3.38 0.00 0.00 0.00 175.76 173.00 2wg3 s HIS 427 N -3.12 0.16 0.00 0.00 -3.43 -1.26 -0.34 115.29 107.30 2wg3 s HIS 427 Ca 0.09 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 2wg3 s HIS 427 Cb -0.01 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 2wg3 s HIS 427 CO -0.03 -1.23 0.00 0.41 -2.00 0.00 0.00 174.74 171.89 2wg3 n GLY 428 N -0.46 1.01 3.79 -1.38 0.00 -0.82 -4.51 105.19 102.81 2wg3 n GLY 428 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 4.47 0.06 0.99 1.43 -0.99 -4.98 118.68 119.66 2wg3 s LEU 429 Ca 0.00 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2wg3 s LEU 429 Cb 0.00 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2wg3 s LEU 429 CO 0.00 0.10 -0.05 1.41 0.23 0.00 0.00 176.35 178.04 2wg3 n HIS 430 N 1.11 0.00 -3.05 0.29 8.25 -1.26 -3.71 115.22 116.85 2wg3 n HIS 430 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 2wg3 n HIS 430 Cb 0.50 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 -3.60 -1.14 -4.74 0.41 4.64 -1.26 -0.99 116.55 109.86 2wg3 n ASP 431 Ca -0.02 -2.85 -0.41 0.00 -1.38 0.00 0.00 54.79 50.13 2wg3 n ASP 431 Cb 0.09 0.31 -0.04 0.00 -1.04 0.00 0.00 41.12 40.44 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 -0.29 4.64 0.00 -0.67 0.04 -1.26 -3.83 135.00 133.62 2wg3 s PRO 432 Ca 0.33 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2wg3 s PRO 432 Cb 0.16 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2wg3 s PRO 432 CO -0.16 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2wg3 n GLY 433 N 1.75 -0.95 3.68 0.56 0.00 -1.00 -4.71 105.19 104.52 2wg3 n GLY 433 Ca 0.01 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2wg3 n GLY 433 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wg3 s ARG 434 N -2.73 4.14 -0.11 1.61 3.52 -0.81 -4.72 118.95 119.85 2wg3 s ARG 434 Ca 0.00 2.59 -0.25 0.00 -0.13 0.00 0.00 55.73 57.94 2wg3 s ARG 434 Cb 0.00 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 2wg3 s ARG 434 CO 0.00 -0.89 0.79 0.00 -0.81 0.00 0.00 175.30 174.40 2wg3 n ALA 436 N 4.49 1.24 -4.03 0.00 0.00 -0.40 -4.81 120.51 117.00 2wg3 n ALA 436 Ca 0.02 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 2wg3 n ALA 436 Cb 0.50 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 2wg3 n ALA 436 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wg3 s VAL 437 N 0.18 2.25 -0.34 0.00 1.01 -1.26 -1.41 120.40 120.83 2wg3 s VAL 437 Ca 0.71 -1.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 2wg3 s VAL 437 Cb -0.65 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2wg3 s VAL 437 CO 0.47 -0.12 0.19 -0.62 0.00 0.00 0.00 175.10 175.02 2wg3 s ASP 438 N 1.09 5.74 0.05 3.32 3.68 0.52 -4.70 116.67 126.36 2wg3 s ASP 438 Ca -0.06 -0.63 0.24 0.00 2.13 0.00 0.00 52.55 54.23 2wg3 s ASP 438 Cb -0.20 -2.05 0.23 0.00 -1.45 0.00 0.00 42.92 39.45 2wg3 s ASP 438 CO -0.05 -0.26 1.20 0.54 0.13 0.00 0.00 175.17 176.72 2wg3 n ARG 439 N 5.02 0.18 -3.33 4.34 1.74 -1.26 -2.01 116.66 121.35 2wg3 n ARG 439 Ca -0.13 0.02 -0.26 0.00 -0.77 0.00 0.00 57.85 56.71 2wg3 n ARG 439 Cb 0.48 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.46 30.27 2wg3 n ARG 439 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2wg3 n HIS 440 N -1.82 2.32 -1.44 -1.55 8.25 -1.26 -4.82 115.22 114.89 2wg3 n HIS 440 Ca 0.03 -3.96 -0.42 0.00 -0.26 0.00 0.00 57.72 53.12 2wg3 n HIS 440 Cb 0.40 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 0.98 0.53 0.18 -0.41 -0.02 -1.26 -4.88 135.00 130.11 2wg3 n PRO 441 Ca 0.27 0.19 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 2wg3 n PRO 441 Cb 0.45 -1.44 0.32 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.85 1.01 -3.52 3.45 2.02 -1.94 -3.40 112.91 111.38 2wg3 h THR 442 Ca -0.39 -1.59 -0.60 0.00 0.77 0.00 0.00 66.41 64.60 2wg3 h THR 442 Cb 1.40 1.94 -0.10 0.00 -1.74 0.00 0.00 68.15 69.65 2wg3 h THR 442 CO 0.52 0.41 0.51 -0.62 0.37 0.00 0.00 175.52 176.71 2wg3 s ASP 443 N -6.54 6.61 0.47 4.18 3.68 -1.26 -4.89 116.67 118.91 2wg3 s ASP 443 Ca -0.00 0.44 0.26 0.00 2.13 0.00 0.00 52.55 55.38 2wg3 s ASP 443 Cb 0.12 -2.44 1.01 0.00 -1.45 0.00 0.00 42.92 40.16 2wg3 s ASP 443 CO 0.70 -0.83 1.86 0.16 0.13 0.00 0.00 175.17 177.19 2wg3 h ILE 444 N 5.82 0.42 0.00 4.11 3.07 -2.00 -1.53 117.51 127.40 2wg3 h ILE 444 Ca -0.24 -0.98 -0.00 0.00 1.55 0.00 0.00 64.86 65.19 2wg3 h ILE 444 Cb 1.08 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 39.34 2wg3 h ILE 444 CO 0.96 0.17 -0.00 -1.13 -1.05 0.00 0.00 178.15 177.09 2wg3 h ASN 445 N 0.00 0.00 -2.76 2.16 -1.24 -1.94 -3.44 115.58 108.36 2wg3 h ASN 445 Ca -0.00 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.36 2wg3 h ASN 445 Cb 0.70 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.69 2wg3 h ASN 445 CO 0.02 0.00 -0.43 -0.63 -1.29 0.00 0.00 177.43 175.10 2wg3 s ILE 446 N -4.04 5.40 -0.25 2.57 -1.09 -0.58 -4.22 121.20 119.00 2wg3 s ILE 446 Ca -0.03 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2wg3 s ILE 446 Cb 0.12 -3.49 -0.18 0.00 -1.58 0.00 0.00 42.46 37.33 2wg3 s ILE 446 CO 0.45 0.52 -0.17 -3.20 -1.23 0.00 0.00 174.94 171.30 2wg3 n ASN 447 N 1.62 1.99 -3.77 3.58 2.85 0.14 -4.55 115.26 117.12 2wg3 n ASN 447 Ca -0.16 -0.08 -0.13 0.00 -0.11 0.00 0.00 54.58 54.10 2wg3 n ASN 447 Cb 0.54 -0.48 -0.13 0.00 1.24 0.00 0.00 39.78 40.95 2wg3 n ASN 447 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2wg3 s LEU 448 N -6.63 0.91 -0.09 1.20 2.96 -1.18 -4.66 118.68 111.20 2wg3 s LEU 448 Ca -0.34 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2wg3 s LEU 448 Cb 0.09 0.55 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 2wg3 s LEU 448 CO 0.61 -0.11 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.47 2wg3 s THR 449 N 0.73 2.80 -0.13 3.68 2.01 -0.85 -0.83 115.64 123.04 2wg3 s THR 449 Ca -0.05 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 2wg3 s THR 449 Cb -0.07 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2wg3 s THR 449 CO -0.04 0.55 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.71 2wg3 s ILE 450 N -0.04 3.27 -0.12 1.82 1.01 -0.28 -0.35 121.20 126.52 2wg3 s ILE 450 Ca -0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2wg3 s ILE 450 Cb -0.14 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 39.97 2wg3 s ILE 450 CO 0.04 0.52 -0.03 -0.22 0.00 0.00 0.00 174.94 175.26 2wg3 s LEU 451 N 0.32 1.03 -0.01 2.97 0.20 -0.50 -0.55 118.68 122.14 2wg3 s LEU 451 Ca -0.09 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.45 2wg3 s LEU 451 Cb -0.15 -0.66 -0.02 0.00 -0.43 0.00 0.00 46.19 44.92 2wg3 s LEU 451 CO 0.05 -0.19 -0.25 0.00 -0.29 0.00 0.00 176.35 175.67 2wg3 s SER 453 N -0.70 6.65 0.11 0.00 1.04 -1.26 -0.33 113.70 119.22 2wg3 s SER 453 Ca 0.10 1.86 -0.17 0.00 0.48 0.00 0.00 55.95 58.23 2wg3 s SER 453 Cb -0.10 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.50 2wg3 s SER 453 CO -0.00 -0.57 0.41 -0.62 0.98 0.00 0.00 173.24 173.44 2wg3 s ASP 454 N -1.97 -0.26 -1.31 7.02 2.15 -1.26 -2.37 116.67 118.68 2wg3 s ASP 454 Ca 0.63 -0.25 -0.13 0.00 0.43 0.00 0.00 52.55 53.24 2wg3 s ASP 454 Cb -0.15 0.47 0.13 0.00 -0.30 0.00 0.00 42.92 43.07 2wg3 s ASP 454 CO 0.19 -0.83 1.83 -1.20 -0.17 0.00 0.00 175.17 174.99 2wg3 n SER 455 N -0.12 4.83 0.00 -0.34 7.64 -1.25 -4.75 113.62 119.64 2wg3 n SER 455 Ca -0.16 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.72 2wg3 n SER 455 Cb 0.63 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2wg3 n SER 455 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2wg3 n SER 462 N 5.39 0.00 -4.73 6.43 3.41 -1.26 -4.79 113.62 118.07 2wg3 n SER 462 Ca 0.43 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.68 2wg3 n SER 462 Cb 0.40 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2wg3 n SER 462 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wg3 s ALA 463 N -1.28 3.61 0.10 7.33 0.00 -1.26 -4.27 121.76 125.98 2wg3 s ALA 463 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.58 2wg3 s ALA 463 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 2wg3 s ALA 463 CO 0.00 0.12 -0.23 1.03 0.00 0.00 0.00 175.76 176.68 2wg3 s ARG 464 N 0.38 1.66 -0.02 0.00 1.81 0.56 -2.29 118.95 121.05 2wg3 s ARG 464 Ca 0.16 -1.21 0.01 0.00 -1.72 0.00 0.00 55.73 52.96 2wg3 s ARG 464 Cb -0.13 -2.01 0.02 0.00 -0.45 0.00 0.00 34.95 32.38 2wg3 s ARG 464 CO 0.04 0.48 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.62 2wg3 s ILE 465 N -1.02 0.23 -0.19 1.52 2.07 -0.32 -0.81 121.20 122.68 2wg3 s ILE 465 Ca 0.15 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.39 2wg3 s ILE 465 Cb -0.10 -0.29 0.01 0.00 0.13 0.00 0.00 42.46 42.21 2wg3 s ILE 465 CO 0.06 0.13 -0.15 -0.22 -1.91 0.00 0.00 174.94 172.86 2wg3 s LEU 466 N 0.72 2.37 -0.22 8.50 2.96 0.29 -1.41 118.68 131.89 2wg3 s LEU 466 Ca -0.07 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 2wg3 s LEU 466 Cb -0.11 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2wg3 s LEU 466 CO -0.01 -0.01 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.82 2wg3 s GLN 467 N 1.35 3.06 -0.25 1.98 -0.21 -1.26 -1.12 119.66 123.21 2wg3 s GLN 467 Ca 0.05 -0.82 -0.10 0.00 0.02 0.00 0.00 55.36 54.51 2wg3 s GLN 467 Cb -0.13 -2.89 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 2wg3 s GLN 467 CO -0.10 -0.29 0.15 0.42 -2.12 0.00 0.00 175.29 173.35 2wg3 s ILE 468 N 1.37 5.14 0.08 1.08 -1.09 -0.01 -5.01 121.20 122.75 2wg3 s ILE 468 Ca 0.03 0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.42 2wg3 s ILE 468 Cb -0.15 -3.41 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 2wg3 s ILE 468 CO -0.06 0.33 0.47 -0.63 -1.23 0.00 0.00 174.94 173.82 2wg3 s ILE 469 N 1.28 4.95 0.08 2.92 1.01 -1.26 -0.68 121.20 129.50 2wg3 s ILE 469 Ca 0.07 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.25 2wg3 s ILE 469 Cb -0.14 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.50 2wg3 s ILE 469 CO 0.06 0.39 1.41 0.50 0.00 0.00 0.00 174.94 177.30 2wg3 h LYS 470 N 4.06 -0.50 -0.72 2.79 1.63 -1.93 -3.11 116.57 118.78 2wg3 h LYS 470 Ca -0.50 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2wg3 h LYS 470 Cb 1.20 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2wg3 h LYS 470 CO 0.64 -0.33 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 2wg3 n GLY 471 N -1.35 2.41 3.66 5.01 0.00 -1.26 -4.95 105.19 108.71 2wg3 n GLY 471 Ca -0.06 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 2wg3 n GLY 471 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wg3 s LYS 472 N -1.04 4.18 -0.47 1.61 2.20 -1.18 -4.96 119.74 120.08 2wg3 s LYS 472 Ca 0.49 1.99 -0.22 0.00 -0.36 0.00 0.00 55.97 57.87 2wg3 s LYS 472 Cb 0.25 -3.92 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2wg3 s LYS 472 CO 0.33 -0.83 0.72 0.34 -0.36 0.00 0.00 175.35 175.56 2wg3 s ASP 473 N 2.95 6.34 0.03 1.43 -1.08 -1.26 -4.90 116.67 120.17 2wg3 s ASP 473 Ca 0.67 -0.35 -0.30 0.00 -0.52 0.00 0.00 52.55 52.05 2wg3 s ASP 473 Cb -0.29 -2.35 -0.05 0.00 -1.46 0.00 0.00 42.92 38.77 2wg3 s ASP 473 CO 0.25 -0.89 1.14 -0.31 0.52 0.00 0.00 175.17 175.87 2wg3 s TYR 474 N 3.08 3.46 -0.82 -5.34 2.02 -0.93 -4.89 117.35 113.94 2wg3 s TYR 474 Ca 0.25 1.39 0.16 0.00 -0.37 0.00 0.00 57.07 58.50 2wg3 s TYR 474 Cb -0.14 -3.34 -0.16 0.00 -0.40 0.00 0.00 41.96 37.92 2wg3 s TYR 474 CO 0.19 -0.95 0.70 -1.91 -1.57 0.00 0.00 175.55 172.01 2wg3 n GLU 475 N 4.10 1.70 -3.97 -0.62 4.07 -1.26 -3.53 120.64 121.13 2wg3 n GLU 475 Ca 0.08 -0.07 -0.09 0.00 -0.06 0.00 0.00 57.16 57.02 2wg3 n GLU 475 Cb 0.48 -1.26 -0.04 0.00 -0.06 0.00 0.00 31.44 30.56 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 -2.47 0.01 0.16 4.31 1.04 -1.26 -4.93 113.70 110.56 2wg3 s SER 476 Ca 0.07 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.23 2wg3 s SER 476 Cb 0.12 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.82 2wg3 s SER 476 CO 0.64 -1.25 1.11 -0.70 0.98 0.00 0.00 173.24 174.01 2wg3 s GLU 477 N -3.71 4.57 0.24 4.02 2.12 -1.26 -4.78 118.70 119.91 2wg3 s GLU 477 Ca 0.21 1.72 -0.31 0.00 0.36 0.00 0.00 54.97 56.95 2wg3 s GLU 477 Cb -0.02 -3.29 -0.11 0.00 0.26 0.00 0.00 34.13 30.97 2wg3 s GLU 477 CO 0.10 0.03 1.60 -1.25 -0.54 0.00 0.00 175.26 175.20 2wg3 s PRO 478 N -0.16 4.16 0.39 4.30 0.04 -1.26 -4.98 135.00 137.50 2wg3 s PRO 478 Ca 0.51 2.50 -0.26 0.00 0.04 0.00 0.00 61.00 63.78 2wg3 s PRO 478 Cb -0.29 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 2wg3 s PRO 478 CO 0.34 -0.62 1.27 -1.12 0.04 0.00 0.00 177.00 176.91 2wg3 s SER 479 N 0.76 6.46 -0.80 6.66 0.01 -1.26 -4.68 113.70 120.84 2wg3 s SER 479 Ca 0.67 2.59 -0.25 0.00 1.31 0.00 0.00 55.95 60.26 2wg3 s SER 479 Cb -0.47 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.18 2wg3 s SER 479 CO 0.40 -0.74 1.26 -0.76 0.41 0.00 0.00 173.24 173.81 2wg3 s LEU 480 N -2.31 3.54 1.09 2.44 1.43 -1.26 -4.69 118.68 118.92 2wg3 s LEU 480 Ca 0.55 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 2wg3 s LEU 480 Cb -0.37 -2.53 0.24 0.00 0.03 0.00 0.00 46.19 43.56 2wg3 s LEU 480 CO 0.47 -1.66 1.14 -0.76 0.23 0.00 0.00 176.35 175.77 2wg3 s LEU 481 N 5.13 1.33 -0.01 1.79 1.43 -0.50 -4.72 118.68 123.13 2wg3 s LEU 481 Ca 0.35 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2wg3 s LEU 481 Cb -0.08 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.49 2wg3 s LEU 481 CO 0.07 -3.53 0.00 -0.70 0.23 0.00 0.00 176.35 172.43 2wg3 s GLU 482 N -5.38 0.05 -0.01 1.70 2.12 -1.26 -1.18 118.70 114.75 2wg3 s GLU 482 Ca 0.69 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.76 2wg3 s GLU 482 Cb -0.11 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.10 2wg3 s GLU 482 CO 0.55 -0.04 1.21 -0.06 -0.54 0.00 0.00 175.26 176.38 2wg3 s PHE 483 N 0.34 3.26 -0.05 5.30 0.08 -0.97 -5.02 117.98 120.92 2wg3 s PHE 483 Ca -0.03 1.22 -0.01 0.00 0.12 0.00 0.00 56.93 58.23 2wg3 s PHE 483 Cb -0.05 -3.43 0.03 0.00 -0.57 0.00 0.00 43.02 39.00 2wg3 s PHE 483 CO -0.01 -1.37 0.01 0.21 -0.10 0.00 0.00 175.22 173.96 2wg3 s LYS 484 N 1.80 0.43 0.62 0.44 2.20 -1.26 -4.26 119.74 119.70 2wg3 s LYS 484 Ca 0.57 0.13 -0.10 0.00 -0.36 0.00 0.00 55.97 56.21 2wg3 s LYS 484 Cb -0.27 -0.77 0.14 0.00 -1.51 0.00 0.00 37.83 35.42 2wg3 s LYS 484 CO 0.25 -0.25 0.82 -0.35 -0.36 0.00 0.00 175.35 175.46 2wg3 n PRO 485 N 4.87 -0.89 -3.68 4.03 -0.05 -1.26 -5.19 135.00 132.83 2wg3 n PRO 485 Ca -0.12 -1.27 -0.09 0.00 -0.05 0.00 0.00 63.50 61.97 2wg3 n PRO 485 Cb 0.50 -0.86 -0.09 0.00 -0.05 0.00 0.00 33.50 33.00 2wg3 n PRO 485 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 175.50 175.57 2wg3 s PHE 486 N -2.78 -0.77 -0.95 0.54 2.19 -1.26 -5.06 117.98 109.89 2wg3 s PHE 486 Ca 0.47 1.58 -0.21 0.00 0.33 0.00 0.00 56.93 59.10 2wg3 s PHE 486 Cb -0.01 0.39 0.09 0.00 -1.31 0.00 0.00 43.02 42.18 2wg3 s PHE 486 CO 0.33 -0.42 1.25 0.45 1.83 0.00 0.00 175.22 178.67 2wg3 s SER 487 N 1.59 6.55 0.00 6.13 0.15 -1.26 -4.93 113.70 121.93 2wg3 s SER 487 Ca -0.09 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 54.82 2wg3 s SER 487 Cb -0.08 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2wg3 s SER 487 CO -0.15 -1.27 0.00 -3.20 1.20 0.00 0.00 173.24 169.82 2wg3 n ASN 488 N 7.59 0.00 -0.10 5.45 5.15 -1.26 -5.04 115.26 127.05 2wg3 n ASN 488 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2wg3 n ASN 488 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2wg3 n ASN 488 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wg3 n GLY 489 N 3.24 -1.83 3.44 8.20 0.00 -1.26 -4.69 105.19 112.29 2wg3 n GLY 489 Ca 0.00 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.22 2wg3 n GLY 489 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wg3 s PRO 490 N 0.00 3.90 0.01 1.61 0.04 -1.26 -4.90 135.00 134.40 2wg3 s PRO 490 Ca 0.00 -2.34 -0.27 0.00 0.04 0.00 0.00 61.00 58.43 2wg3 s PRO 490 Cb 0.00 -4.94 -0.04 0.00 0.04 0.00 0.00 34.50 29.55 2wg3 s PRO 490 CO 0.00 -1.71 0.84 -0.51 0.04 0.00 0.00 177.00 175.66 2wg3 s LEU 491 N 1.68 4.40 0.02 -3.56 1.43 -1.26 -2.50 118.68 118.89 2wg3 s LEU 491 Ca 0.37 1.49 0.07 0.00 -1.03 0.00 0.00 54.13 55.03 2wg3 s LEU 491 Cb -0.04 -3.34 -0.23 0.00 0.03 0.00 0.00 46.19 42.61 2wg3 s LEU 491 CO -0.04 -0.11 0.92 0.58 0.23 0.00 0.00 176.35 177.93 2wg3 h VAL 492 N 4.47 1.22 0.00 -1.59 2.07 -1.50 -3.43 116.25 117.49 2wg3 h VAL 492 Ca -0.42 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.12 2wg3 h VAL 492 Cb 1.21 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2wg3 h VAL 492 CO 0.73 0.74 0.00 0.61 0.02 0.00 0.00 177.57 179.67 2wg3 n GLY 493 N 1.51 -0.20 0.45 2.17 0.00 -1.23 -1.92 105.19 105.96 2wg3 n GLY 493 Ca -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 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 1.91 3.50 -0.02 0.00 0.72 -1.99 105.19 109.30 2wg3 n GLY 494 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -8.08 -0.08 -0.03 1.61 -0.71 0.04 -3.11 117.98 107.60 2wg3 s PHE 495 Ca 0.02 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 55.58 2wg3 s PHE 495 Cb -0.01 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.11 2wg3 s PHE 495 CO 0.01 -0.89 0.24 0.08 -1.34 0.00 0.00 175.22 173.32 2wg3 s VAL 496 N -3.88 5.34 -0.36 -2.49 1.01 -1.26 0.01 120.40 118.77 2wg3 s VAL 496 Ca 0.09 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 2wg3 s VAL 496 Cb -0.01 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2wg3 s VAL 496 CO -0.03 0.47 0.21 -0.47 0.00 0.00 0.00 175.10 175.27 2wg3 s TYR 497 N -1.19 3.22 -0.11 5.22 5.04 -0.79 -4.87 117.35 123.87 2wg3 s TYR 497 Ca 0.23 -0.75 0.14 0.00 -2.44 0.00 0.00 57.07 54.26 2wg3 s TYR 497 Cb -0.13 -2.44 0.31 0.00 0.35 0.00 0.00 41.96 40.04 2wg3 s TYR 497 CO 0.12 -0.56 1.15 0.54 -1.34 0.00 0.00 175.55 175.46 2wg3 n ARG 498 N 5.02 0.96 0.00 4.97 1.74 -1.26 -1.24 116.66 126.85 2wg3 n ARG 498 Ca -0.12 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 2wg3 n ARG 498 Cb 0.47 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 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 -0.78 -2.68 0.00 -0.13 0.00 -1.17 -4.91 105.19 95.51 2wg3 n GLY 499 Ca 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 -5.08 0.00 -0.00 -1.94 -3.41 115.11 104.68 2wg3 h GLN 501 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.02 2wg3 h GLN 501 Cb 0.81 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 28.13 2wg3 h GLN 501 CO 0.00 0.66 -0.54 0.45 -0.00 0.00 0.00 178.83 179.41 2wg3 s SER 502 N -6.55 5.86 -0.03 0.06 0.15 -1.26 -4.74 113.70 107.19 2wg3 s SER 502 Ca 0.03 0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.67 2wg3 s SER 502 Cb 0.09 -2.05 -0.28 0.00 -1.71 0.00 0.00 66.02 62.06 2wg3 s SER 502 CO 0.77 0.06 0.72 -0.33 1.20 0.00 0.00 173.24 175.66 2wg3 h GLU 503 N 7.55 0.29 -0.04 5.44 5.08 -1.93 -3.38 114.58 127.59 2wg3 h GLU 503 Ca -0.37 -0.50 -0.15 0.00 -1.00 0.00 0.00 59.36 57.34 2wg3 h GLU 503 Cb 1.17 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2wg3 h GLU 503 CO 0.64 1.17 -0.64 0.07 -1.00 0.00 0.00 179.01 179.25 2wg3 h ARG 504 N 0.08 0.14 0.00 2.33 0.11 -1.98 -2.97 114.38 112.09 2wg3 h ARG 504 Ca -0.30 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2wg3 h ARG 504 Cb 2.05 0.02 0.00 0.00 1.11 0.00 0.00 29.97 33.15 2wg3 h ARG 504 CO 0.16 0.73 0.00 -0.11 0.10 0.00 0.00 179.97 180.85 2wg3 n LEU 505 N -3.82 0.00 -4.68 0.08 7.94 -1.26 -4.89 117.00 110.37 2wg3 n LEU 505 Ca -0.02 0.48 -0.44 0.00 -1.11 0.00 0.00 56.01 54.92 2wg3 n LEU 505 Cb 0.64 -0.48 -0.02 0.00 0.53 0.00 0.00 43.42 44.09 2wg3 n LEU 505 CO 0.44 -0.01 0.93 0.00 -1.11 0.00 0.00 177.39 177.64 2wg3 n TYR 506 N -1.48 2.15 -0.90 1.96 9.36 -1.13 -1.80 117.16 125.33 2wg3 n TYR 506 Ca 0.08 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.80 2wg3 n TYR 506 Cb 0.32 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 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 1.45 1.17 3.72 2.98 0.00 -0.38 -5.02 105.19 109.11 2wg3 n GLY 507 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.08 6.57 -0.65 1.61 0.01 -0.75 -4.46 113.70 112.95 2wg3 s SER 508 Ca 0.00 0.67 -0.22 0.00 1.31 0.00 0.00 55.95 57.71 2wg3 s SER 508 Cb 0.00 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 64.06 2wg3 s SER 508 CO 0.00 0.03 0.94 -0.31 0.41 0.00 0.00 173.24 174.30 2wg3 s TYR 509 N 0.63 2.71 0.22 2.43 1.51 0.36 -1.88 117.35 123.34 2wg3 s TYR 509 Ca 0.22 -0.58 -0.21 0.00 -1.01 0.00 0.00 57.07 55.49 2wg3 s TYR 509 Cb -0.14 -4.25 -0.08 0.00 -0.11 0.00 0.00 41.96 37.37 2wg3 s TYR 509 CO 0.08 -1.60 0.75 0.08 -1.11 0.00 0.00 175.55 173.74 2wg3 s VAL 510 N 3.92 4.52 -0.01 0.71 1.01 0.10 -1.40 120.40 129.24 2wg3 s VAL 510 Ca 0.21 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.57 2wg3 s VAL 510 Cb -0.18 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2wg3 s VAL 510 CO 0.10 0.25 0.03 -0.36 0.00 0.00 0.00 175.10 175.12 2wg3 s PHE 511 N -1.47 -0.02 -0.02 5.22 0.40 0.55 -0.78 117.98 121.87 2wg3 s PHE 511 Ca 0.42 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 2wg3 s PHE 511 Cb -0.18 -0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 2wg3 s PHE 511 CO 0.22 -0.03 -0.16 0.20 0.70 0.00 0.00 175.22 176.15 2wg3 s GLY 512 N 0.28 0.78 0.59 4.36 0.00 -0.84 -0.74 107.32 111.76 2wg3 s GLY 512 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 2wg3 s GLY 512 CO -0.01 -0.53 0.85 0.51 0.00 0.00 0.00 173.10 173.92 2wg3 s ASP 513 N -0.32 5.18 0.46 1.64 -4.77 0.43 -1.32 116.67 117.98 2wg3 s ASP 513 Ca 0.05 0.17 0.13 0.00 -3.30 0.00 0.00 52.55 49.60 2wg3 s ASP 513 Cb -0.07 -1.01 1.04 0.00 -1.09 0.00 0.00 42.92 41.79 2wg3 s ASP 513 CO -0.00 -1.25 2.06 0.08 0.70 0.00 0.00 175.17 176.75 2wg3 h ARG 514 N -0.12 0.16 -0.00 2.11 0.11 -1.78 -0.40 114.38 114.46 2wg3 h ARG 514 Ca -0.43 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2wg3 h ARG 514 Cb 1.30 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2wg3 h ARG 514 CO 0.55 0.18 -0.17 0.09 0.10 0.00 0.00 179.97 180.72 2wg3 n ASN 515 N -4.44 0.17 0.00 0.08 3.02 -1.26 -0.28 115.26 112.55 2wg3 n ASN 515 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 2wg3 n ASN 515 Cb 0.14 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.50 1.31 3.76 7.41 0.00 -0.16 -3.43 105.19 115.57 2wg3 n GLY 516 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 7.58 -0.03 1.61 -0.87 -1.26 -4.86 114.94 115.11 2wg3 s ASN 517 Ca 0.00 1.87 0.05 0.00 -1.57 0.00 0.00 52.86 53.21 2wg3 s ASN 517 Cb 0.00 -2.58 -0.01 0.00 -0.02 0.00 0.00 41.25 38.64 2wg3 s ASN 517 CO 0.00 0.16 -0.19 -0.36 -2.57 0.00 0.00 177.10 174.14 2wg3 s PHE 518 N -1.12 1.79 0.20 2.20 0.08 -1.26 -0.43 117.98 119.45 2wg3 s PHE 518 Ca 0.40 -0.43 0.09 0.00 0.12 0.00 0.00 56.93 57.11 2wg3 s PHE 518 Cb -0.25 -1.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.98 2wg3 s PHE 518 CO 0.31 -0.10 -0.17 -0.48 -0.10 0.00 0.00 175.22 174.68 2wg3 s LEU 519 N -0.23 2.52 0.03 -0.37 0.05 0.08 -1.75 118.68 119.01 2wg3 s LEU 519 Ca 0.02 -0.97 0.07 0.00 0.05 0.00 0.00 54.13 53.31 2wg3 s LEU 519 Cb -0.10 -0.79 -0.02 0.00 -2.05 0.00 0.00 46.19 43.23 2wg3 s LEU 519 CO 0.01 -0.09 -0.21 0.42 -0.55 0.00 0.00 176.35 175.92 2wg3 s THR 520 N -2.58 1.71 0.08 5.48 -4.23 0.60 -0.33 115.64 116.38 2wg3 s THR 520 Ca 0.21 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2wg3 s THR 520 Cb -0.03 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 2wg3 s THR 520 CO 0.08 0.29 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.61 2wg3 s LEU 521 N -0.99 3.10 -0.24 4.79 1.43 -0.49 -1.27 118.68 125.00 2wg3 s LEU 521 Ca 0.08 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2wg3 s LEU 521 Cb -0.09 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.34 2wg3 s LEU 521 CO 0.01 0.20 0.58 -1.58 0.23 0.00 0.00 176.35 175.79 2wg3 s GLN 522 N -2.07 0.57 -0.08 1.70 0.74 -0.47 -0.48 119.66 119.57 2wg3 s GLN 522 Ca 0.21 1.10 -0.17 0.00 0.05 0.00 0.00 55.36 56.55 2wg3 s GLN 522 Cb -0.11 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.11 2wg3 s GLN 522 CO 0.13 -0.16 0.45 -1.14 -0.55 0.00 0.00 175.29 174.01 2wg3 s GLN 523 N 1.73 4.21 0.10 1.67 0.74 -1.26 -1.67 119.66 125.17 2wg3 s GLN 523 Ca -0.09 0.42 -0.31 0.00 0.05 0.00 0.00 55.36 55.43 2wg3 s GLN 523 Cb -0.07 -3.36 -0.07 0.00 1.10 0.00 0.00 33.01 30.61 2wg3 s GLN 523 CO -0.17 0.35 1.28 0.45 -0.55 0.00 0.00 175.29 176.64 2wg3 s SER 524 N 0.02 6.97 0.19 6.67 0.15 0.92 -4.95 113.70 123.68 2wg3 s SER 524 Ca 0.25 2.17 0.25 0.00 0.70 0.00 0.00 55.95 59.31 2wg3 s SER 524 Cb -0.16 -2.59 0.91 0.00 -1.71 0.00 0.00 66.02 62.47 2wg3 s SER 524 CO 0.11 -0.53 1.74 -2.65 1.20 0.00 0.00 173.24 173.11 2wg3 n PRO 525 N 3.73 0.19 -0.10 5.44 -0.02 -1.26 -3.87 135.00 139.10 2wg3 n PRO 525 Ca 0.09 0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 2wg3 n PRO 525 Cb 0.44 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 2wg3 n PRO 525 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2wg3 h VAL 526 N 0.00 0.80 -1.35 -1.45 3.04 -1.97 -3.48 116.25 111.84 2wg3 h VAL 526 Ca 0.00 -2.04 -0.48 0.00 -1.01 0.00 0.00 66.70 63.17 2wg3 h VAL 526 Cb 0.53 1.95 0.06 0.00 -2.01 0.00 0.00 31.29 31.82 2wg3 h VAL 526 CO 0.00 0.27 0.01 0.42 -1.01 0.00 0.00 177.57 177.26 2wg3 s THR 527 N -2.35 2.06 -1.63 3.17 -4.23 -1.25 -4.98 115.64 106.44 2wg3 s THR 527 Ca -0.27 -0.81 0.27 0.00 -1.18 0.00 0.00 61.69 59.70 2wg3 s THR 527 Cb 0.05 -2.26 0.59 0.00 1.34 0.00 0.00 72.50 72.23 2wg3 s THR 527 CO 0.55 0.00 1.96 2.29 -0.54 0.00 0.00 174.62 178.87 2wg3 n LYS 528 N -2.57 0.56 -3.09 3.99 2.85 -1.26 -4.52 118.16 114.11 2wg3 n LYS 528 Ca 0.16 0.02 -0.35 0.00 -1.05 0.00 0.00 58.31 57.10 2wg3 n LYS 528 Cb 0.61 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.43 2wg3 n LYS 528 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2wg3 s GLN 529 N -2.37 4.18 -0.11 -1.58 -1.52 -1.26 -4.68 119.66 112.32 2wg3 s GLN 529 Ca 0.31 0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 54.54 2wg3 s GLN 529 Cb 0.19 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 30.24 2wg3 s GLN 529 CO 0.38 0.30 -0.10 -1.58 -0.25 0.00 0.00 175.29 174.05 2wg3 s TRP 530 N -1.69 2.88 0.17 0.91 0.52 -1.26 -0.06 118.94 120.41 2wg3 s TRP 530 Ca 0.47 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 56.30 2wg3 s TRP 530 Cb -0.14 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 2wg3 s TRP 530 CO 0.20 -0.00 -0.13 1.14 0.02 0.00 0.00 176.95 178.18 2wg3 s GLN 531 N -0.03 1.19 -0.12 4.98 -2.07 -0.67 -4.96 119.66 117.97 2wg3 s GLN 531 Ca -0.01 -1.50 -0.03 0.00 -1.82 0.00 0.00 55.36 52.00 2wg3 s GLN 531 Cb -0.14 -0.90 -0.03 0.00 -1.09 0.00 0.00 33.01 30.85 2wg3 s GLN 531 CO 0.03 0.14 -0.02 -2.00 -1.32 0.00 0.00 175.29 172.12 2wg3 s GLU 532 N -3.58 3.36 0.14 9.60 2.12 -1.26 -1.37 118.70 127.72 2wg3 s GLU 532 Ca 0.19 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 55.04 2wg3 s GLU 532 Cb 0.00 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 2wg3 s GLU 532 CO 0.04 0.44 0.04 -1.59 -0.54 0.00 0.00 175.26 173.65 2wg3 s LYS 533 N -0.17 0.98 0.56 4.30 -2.85 -0.40 -4.99 119.74 117.17 2wg3 s LYS 533 Ca 0.04 -1.46 -0.17 0.00 -1.00 0.00 0.00 55.97 53.38 2wg3 s LYS 533 Cb -0.13 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.67 2wg3 s LYS 533 CO 0.02 -0.22 1.03 -2.14 0.10 0.00 0.00 175.35 174.15 2wg3 s PRO 534 N -4.00 3.56 -0.13 1.78 0.02 -1.26 -0.29 135.00 134.67 2wg3 s PRO 534 Ca 0.24 1.16 0.02 0.00 0.02 0.00 0.00 61.00 62.44 2wg3 s PRO 534 Cb 0.07 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2wg3 s PRO 534 CO 0.02 -0.61 -0.21 -1.17 -0.33 0.00 0.00 177.00 174.70 2wg3 s LEU 535 N -4.25 2.01 -0.14 -5.54 1.98 -0.71 -4.70 118.68 107.32 2wg3 s LEU 535 Ca 0.63 -0.56 -0.12 0.00 -2.89 0.00 0.00 54.13 51.19 2wg3 s LEU 535 Cb -0.14 -1.35 -0.05 0.00 0.66 0.00 0.00 46.19 45.31 2wg3 s LEU 535 CO 0.33 0.07 0.26 0.00 -1.89 0.00 0.00 176.35 175.13 2wg3 s LEU 537 N 0.08 1.14 0.66 0.00 2.96 -1.26 -2.00 118.68 120.26 2wg3 s LEU 537 Ca 0.16 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2wg3 s LEU 537 Cb -0.13 -0.55 0.03 0.00 0.50 0.00 0.00 46.19 46.04 2wg3 s LEU 537 CO 0.04 -0.36 0.98 -0.83 -1.32 0.00 0.00 176.35 174.86 2wg3 s GLY 538 N 1.90 1.64 0.84 7.98 0.00 -0.32 0.95 107.32 120.31 2wg3 s GLY 538 Ca 0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 2wg3 s GLY 538 CO -0.17 -0.40 1.17 -0.51 0.00 0.00 0.00 173.10 173.20 2wg3 s THR 539 N -3.16 2.09 0.74 0.90 -4.23 -0.56 -3.65 115.64 107.77 2wg3 s THR 539 Ca 0.57 -0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 2wg3 s THR 539 Cb -0.11 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.88 2wg3 s THR 539 CO 0.46 0.00 1.08 -0.44 -0.54 0.00 0.00 174.62 175.17 2wg3 s SER 540 N -4.75 4.98 0.00 3.99 0.01 -1.26 -3.12 113.70 113.55 2wg3 s SER 540 Ca 0.68 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.45 2wg3 s SER 540 Cb -0.06 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2wg3 s SER 540 CO 0.49 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2wg3 n GLY 541 N -1.98 0.89 4.00 3.44 0.00 -1.26 -4.78 105.19 105.50 2wg3 n GLY 541 Ca 0.07 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 2wg3 n GLY 541 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wg3 s SER 542 N -4.00 5.77 -0.38 1.61 0.15 -1.26 -4.99 113.70 110.60 2wg3 s SER 542 Ca 0.00 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.28 2wg3 s SER 542 Cb 0.00 -0.90 0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2wg3 s SER 542 CO 0.00 -0.61 2.76 0.00 1.20 0.00 0.00 173.24 176.59 2wg3 s ARG 544 N -1.41 2.66 2.02 0.00 0.52 -1.26 -4.22 118.95 117.26 2wg3 s ARG 544 Ca 0.55 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 2wg3 s ARG 544 Cb 0.35 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.69 2wg3 s ARG 544 CO -0.17 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 174.55 2wg3 n GLY 545 N -2.87 -0.89 2.86 -3.53 0.00 -1.26 -1.49 105.19 98.01 2wg3 n GLY 545 Ca 0.06 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 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 0.42 0.15 1.61 1.13 -1.26 -4.23 117.35 115.16 2wg3 s TYR 546 Ca 0.00 -0.06 -0.34 0.00 -1.41 0.00 0.00 57.07 55.26 2wg3 s TYR 546 Cb 0.00 -0.42 -0.14 0.00 -1.10 0.00 0.00 41.96 40.30 2wg3 s TYR 546 CO 0.00 -0.11 1.53 0.34 -2.51 0.00 0.00 175.55 174.80 2wg3 n PHE 547 N 3.84 2.13 -4.17 -3.49 7.35 0.27 -4.72 117.46 118.67 2wg3 n PHE 547 Ca -0.24 0.34 -0.19 0.00 -0.76 0.00 0.00 57.45 56.60 2wg3 n PHE 547 Cb 0.52 -2.50 -0.16 0.00 0.35 0.00 0.00 39.48 37.69 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 0.83 0.88 0.00 -2.13 1.04 -1.26 -4.82 113.70 108.23 2wg3 s SER 548 Ca 0.80 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2wg3 s SER 548 Cb -0.73 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2wg3 s SER 548 CO 0.39 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2wg3 n GLY 549 N 3.86 1.93 3.65 7.32 0.00 -1.22 -5.04 105.19 115.70 2wg3 n GLY 549 Ca -0.24 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 2.84 -0.14 1.61 3.76 0.41 -3.85 115.29 117.93 2wg3 s HIS 550 Ca 0.00 1.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.66 2wg3 s HIS 550 Cb 0.00 -3.56 -0.02 0.00 1.11 0.00 0.00 32.58 30.11 2wg3 s HIS 550 CO 0.00 -1.64 0.84 0.42 -0.85 0.00 0.00 174.74 173.51 2wg3 s ILE 551 N 3.64 4.89 -0.19 0.60 -1.09 0.61 -0.04 121.20 129.63 2wg3 s ILE 551 Ca 0.54 1.68 0.13 0.00 -2.23 0.00 0.00 60.65 60.77 2wg3 s ILE 551 Cb -0.20 -4.15 -0.20 0.00 -1.58 0.00 0.00 42.46 36.32 2wg3 s ILE 551 CO 0.16 0.06 0.00 0.18 -1.23 0.00 0.00 174.94 174.11 2wg3 n LEU 552 N 4.93 0.65 0.00 2.97 4.77 0.10 -4.74 117.00 125.68 2wg3 n LEU 552 Ca 0.04 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wg3 n LEU 552 Cb 0.49 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2wg3 n LEU 552 CO 0.49 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2wg3 n GLY 553 N 2.02 -0.72 3.44 -0.72 0.00 -1.15 -4.71 105.19 103.35 2wg3 n GLY 553 Ca -0.31 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.97 0.95 -0.03 1.61 0.08 -1.26 -1.44 117.98 113.92 2wg3 s PHE 554 Ca 0.00 -1.18 -0.23 0.00 0.12 0.00 0.00 56.93 55.63 2wg3 s PHE 554 Cb 0.00 -0.16 0.05 0.00 -0.57 0.00 0.00 43.02 42.34 2wg3 s PHE 554 CO 0.00 -0.97 0.50 0.20 -0.10 0.00 0.00 175.22 174.85 2wg3 s GLY 555 N -3.17 -0.38 -0.02 4.36 0.00 -0.61 -0.53 107.32 106.97 2wg3 s GLY 555 Ca 0.31 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.86 2wg3 s GLY 555 CO 0.16 0.53 -0.01 1.85 0.00 0.00 0.00 173.10 175.63 2wg3 s GLU 556 N -1.36 0.29 0.71 2.90 2.12 -1.12 -0.52 118.70 121.72 2wg3 s GLU 556 Ca -0.12 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.23 2wg3 s GLU 556 Cb -0.02 -0.40 0.13 0.00 0.26 0.00 0.00 34.13 34.10 2wg3 s GLU 556 CO 0.07 -0.07 0.98 0.16 -0.54 0.00 0.00 175.26 175.86 2wg3 s ASP 557 N 0.64 4.38 0.48 -1.70 3.84 -0.60 -3.28 116.67 120.43 2wg3 s ASP 557 Ca -0.06 -0.49 0.24 0.00 -0.00 0.00 0.00 52.55 52.24 2wg3 s ASP 557 Cb -0.09 0.13 1.21 0.00 -1.38 0.00 0.00 42.92 42.78 2wg3 s ASP 557 CO -0.01 -1.84 1.98 -0.08 -0.00 0.00 0.00 175.17 175.22 2wg3 h GLU 558 N -0.46 0.00 -0.05 2.11 4.81 -1.88 -1.68 114.58 117.42 2wg3 h GLU 558 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2wg3 h GLU 558 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2wg3 h GLU 558 CO 0.39 0.19 0.00 1.28 -0.73 0.00 0.00 179.01 180.13 2wg3 n LEU 559 N -3.71 1.41 0.00 1.64 4.77 -1.26 -4.92 117.00 114.93 2wg3 n LEU 559 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2wg3 n LEU 559 Cb 0.30 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wg3 n LEU 559 CO 0.32 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2wg3 n GLY 560 N 1.14 0.84 3.81 -0.72 0.00 -0.63 -4.35 105.19 105.28 2wg3 n GLY 560 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.49 2.63 0.16 1.61 0.41 -1.26 -3.06 118.70 118.70 2wg3 s GLU 561 Ca 0.00 0.89 0.08 0.00 -0.41 0.00 0.00 54.97 55.53 2wg3 s GLU 561 Cb 0.00 -1.96 -0.04 0.00 -1.78 0.00 0.00 34.13 30.35 2wg3 s GLU 561 CO 0.00 -1.30 -0.17 0.14 -0.49 0.00 0.00 175.26 173.44 2wg3 s VAL 562 N -3.06 1.70 0.02 2.63 -7.23 -1.26 -1.55 120.40 111.65 2wg3 s VAL 562 Ca 0.59 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 2wg3 s VAL 562 Cb -0.14 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 2wg3 s VAL 562 CO 0.55 -0.38 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.61 2wg3 s TYR 563 N -2.19 0.35 -0.10 2.82 2.02 0.33 -1.30 117.35 119.26 2wg3 s TYR 563 Ca 0.15 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2wg3 s TYR 563 Cb -0.05 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2wg3 s TYR 563 CO 0.06 -0.13 -0.06 0.42 -1.57 0.00 0.00 175.55 174.27 2wg3 s ILE 564 N -1.18 3.79 -0.24 2.71 -1.09 -0.27 -1.57 121.20 123.35 2wg3 s ILE 564 Ca -0.11 -0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 2wg3 s ILE 564 Cb -0.08 -2.59 -0.05 0.00 -1.58 0.00 0.00 42.46 38.15 2wg3 s ILE 564 CO -0.00 0.56 0.17 -0.76 -1.23 0.00 0.00 174.94 173.67 2wg3 s LEU 565 N -0.35 4.12 0.17 2.97 1.43 -0.52 -0.54 118.68 125.96 2wg3 s LEU 565 Ca 0.05 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2wg3 s LEU 565 Cb -0.12 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 2wg3 s LEU 565 CO 0.02 0.06 0.05 -0.94 0.23 0.00 0.00 176.35 175.78 2wg3 s SER 566 N 1.03 0.75 0.01 2.29 1.04 -0.68 0.01 113.70 118.14 2wg3 s SER 566 Ca 0.08 -1.25 -0.10 0.00 0.48 0.00 0.00 55.95 55.16 2wg3 s SER 566 Cb -0.13 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.22 2wg3 s SER 566 CO 0.04 -0.69 0.21 -0.55 0.98 0.00 0.00 173.24 173.24 2wg3 s SER 567 N -3.15 -0.04 0.36 7.02 0.15 0.95 -1.07 113.70 117.93 2wg3 s SER 567 Ca 0.28 -0.18 0.15 0.00 0.70 0.00 0.00 55.95 56.90 2wg3 s SER 567 Cb 0.07 0.27 0.70 0.00 -1.71 0.00 0.00 66.02 65.35 2wg3 s SER 567 CO 0.06 -0.46 1.78 0.77 1.20 0.00 0.00 173.24 176.59 2wg3 h SER 568 N 3.86 0.00 -6.02 5.45 4.64 -1.85 0.12 113.55 119.75 2wg3 h SER 568 Ca -0.31 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.63 2wg3 h SER 568 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2wg3 h SER 568 CO 0.43 0.40 -0.06 0.29 -0.87 0.00 0.00 176.83 177.03 2wg3 n LYS 569 N -3.86 0.69 -3.41 4.77 4.76 -1.26 -4.75 118.16 115.09 2wg3 n LYS 569 Ca -0.01 -2.46 -0.25 0.00 -2.87 0.00 0.00 58.31 52.72 2wg3 n LYS 569 Cb 0.46 -0.18 -0.02 0.00 -1.84 0.00 0.00 35.03 33.46 2wg3 n LYS 569 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2wg3 s SER 570 N -3.82 6.32 0.08 4.39 1.04 -1.26 -4.61 113.70 115.84 2wg3 s SER 570 Ca 0.47 0.47 -0.15 0.00 0.48 0.00 0.00 55.95 57.22 2wg3 s SER 570 Cb -0.04 -2.04 -0.02 0.00 0.10 0.00 0.00 66.02 64.02 2wg3 s SER 570 CO 0.30 -0.26 0.75 0.23 0.98 0.00 0.00 173.24 175.25 2wg3 n MET 571 N -1.58 -0.21 -0.32 4.02 2.81 -1.26 -0.68 117.12 119.89 2wg3 n MET 571 Ca -0.04 0.74 -0.03 0.00 -1.81 0.00 0.00 57.70 56.55 2wg3 n MET 571 Cb 0.56 -1.09 0.09 0.00 -0.71 0.00 0.00 33.22 32.07 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 1.23 -0.27 2.03 2.02 -1.90 -2.46 112.91 113.56 2wg3 h THR 572 Ca 0.08 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2wg3 h THR 572 Cb 0.21 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2wg3 h THR 572 CO -0.46 0.22 0.00 0.00 0.37 0.00 0.00 175.52 175.65 2wg3 n GLN 573 N -4.47 1.88 -2.75 6.66 3.00 0.14 -4.85 117.38 116.99 2wg3 n GLN 573 Ca 0.09 -1.34 -0.42 0.00 -0.01 0.00 0.00 57.00 55.32 2wg3 n GLN 573 Cb 0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 30.24 28.84 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 -1.65 4.21 -0.54 5.09 2.01 -0.93 -4.80 115.64 119.03 2wg3 s THR 574 Ca 0.31 0.35 0.20 0.00 0.31 0.00 0.00 61.69 62.86 2wg3 s THR 574 Cb 0.17 -4.65 -0.26 0.00 0.01 0.00 0.00 72.50 67.77 2wg3 s THR 574 CO 0.24 -1.31 0.67 1.41 -0.69 0.00 0.00 174.62 174.94 2wg3 n HIS 575 N 7.96 0.00 -2.83 4.92 8.25 -1.26 -1.03 115.22 131.23 2wg3 n HIS 575 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.25 2wg3 n HIS 575 Cb 0.48 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.78 3.65 -4.78 0.41 5.15 -1.05 -3.43 115.26 113.43 2wg3 n ASN 576 Ca 0.01 -3.49 -0.36 0.00 -0.60 0.00 0.00 54.58 50.13 2wg3 n ASN 576 Cb 0.40 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 39.06 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 -3.29 2.74 -0.07 8.20 0.00 0.37 -4.42 107.32 110.85 2wg3 s GLY 577 Ca 0.45 0.62 0.05 0.00 0.00 0.00 0.00 44.72 45.83 2wg3 s GLY 577 CO -0.13 1.04 -0.22 0.54 0.00 0.00 0.00 173.10 174.34 2wg3 s LYS 578 N -2.37 2.73 -0.24 2.90 1.02 -0.23 -2.11 119.74 121.44 2wg3 s LYS 578 Ca 0.55 -0.84 -0.18 0.00 0.02 0.00 0.00 55.97 55.52 2wg3 s LYS 578 Cb -0.20 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2wg3 s LYS 578 CO 0.25 0.36 0.49 -1.17 -0.92 0.00 0.00 175.35 174.37 2wg3 s LEU 579 N -0.09 4.08 -0.24 3.17 2.96 -0.23 -1.69 118.68 126.64 2wg3 s LEU 579 Ca -0.05 0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 2wg3 s LEU 579 Cb -0.14 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 43.91 2wg3 s LEU 579 CO 0.04 -0.23 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.49 2wg3 s TYR 580 N 2.04 3.01 0.06 5.38 2.02 0.30 -0.39 117.35 129.77 2wg3 s TYR 580 Ca 0.21 -1.14 -0.31 0.00 -0.37 0.00 0.00 57.07 55.47 2wg3 s TYR 580 Cb -0.15 -2.11 -0.08 0.00 -0.40 0.00 0.00 41.96 39.22 2wg3 s TYR 580 CO 0.09 -0.61 1.53 0.21 -1.57 0.00 0.00 175.55 175.20 2wg3 s LYS 581 N 1.43 4.24 0.24 -0.62 2.20 0.80 -1.11 119.74 126.93 2wg3 s LYS 581 Ca 0.04 2.18 -0.30 0.00 -0.36 0.00 0.00 55.97 57.53 2wg3 s LYS 581 Cb -0.15 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 2wg3 s LYS 581 CO -0.03 -0.63 1.00 0.42 -0.36 0.00 0.00 175.35 175.75 2wg3 s ILE 582 N 2.19 3.88 -0.06 5.43 1.01 -0.42 -0.40 121.20 132.83 2wg3 s ILE 582 Ca 0.69 1.87 -0.04 0.00 0.00 0.00 0.00 60.65 63.17 2wg3 s ILE 582 Cb -0.37 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 37.94 2wg3 s ILE 582 CO 0.30 0.43 0.15 -0.69 0.00 0.00 0.00 174.94 175.13 2wg3 s VAL 583 N -1.07 -0.03 -0.33 2.92 1.01 0.11 -4.62 120.40 118.39 2wg3 s VAL 583 Ca 0.43 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 2wg3 s VAL 583 Cb -0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 2wg3 s VAL 583 CO 0.35 0.04 0.67 -0.62 0.00 0.00 0.00 175.10 175.54 2wg3 s ASP 584 N 0.72 6.49 0.00 3.32 -1.08 -1.26 0.22 116.67 125.07 2wg3 s ASP 584 Ca -0.05 0.33 0.24 0.00 -0.52 0.00 0.00 52.55 52.55 2wg3 s ASP 584 Cb -0.07 -2.34 1.15 0.00 -1.46 0.00 0.00 42.92 40.19 2wg3 s ASP 584 CO -0.04 -0.57 1.78 -0.81 0.52 0.00 0.00 175.17 176.06 2wg3 n PRO 585 N 6.04 0.25 0.07 4.34 -0.04 -1.26 -3.01 135.00 141.39 2wg3 n PRO 585 Ca -0.00 0.07 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 2wg3 n PRO 585 Cb 0.49 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.92 2wg3 n PRO 585 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wg3 n LYS 586 N -1.34 0.17 -4.36 0.54 5.02 -1.26 -4.85 118.16 112.08 2wg3 n LYS 586 Ca 0.10 0.17 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 2wg3 n LYS 586 Cb 0.21 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 2wg3 n LYS 586 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wg3 s ARG 587 N -3.09 2.06 0.43 1.97 1.81 -1.16 -5.10 118.95 115.87 2wg3 s ARG 587 Ca 0.11 -1.56 -0.23 0.00 -1.72 0.00 0.00 55.73 52.33 2wg3 s ARG 587 Cb 0.14 -2.01 -0.12 0.00 -0.45 0.00 0.00 34.95 32.51 2wg3 s ARG 587 CO 0.54 0.34 0.69 -2.30 -0.68 0.00 0.00 175.30 173.89 2wg3 n PRO 588 N -0.80 0.78 -0.08 3.54 -0.02 -1.26 -4.88 135.00 132.28 2wg3 n PRO 588 Ca -0.06 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.61 2wg3 n PRO 588 Cb 0.59 -1.67 0.06 0.00 -0.02 0.00 0.00 33.50 32.46 2wg3 n PRO 588 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wg3 h LEU 589 N 0.97 0.81 -6.74 2.45 6.46 -1.95 -3.33 115.31 113.98 2wg3 h LEU 589 Ca -0.42 -0.34 -0.60 0.00 -0.12 0.00 0.00 57.88 56.40 2wg3 h LEU 589 Cb 1.38 -0.23 -0.40 0.00 -0.73 0.00 0.00 40.66 40.69 2wg3 h LEU 589 CO 0.53 1.07 -0.78 -0.32 -0.62 0.00 0.00 178.44 178.31 2wg3 s MET 590 N -4.44 1.58 0.51 1.25 1.75 -1.26 -5.02 119.30 113.67 2wg3 s MET 590 Ca -0.09 -2.59 -0.23 0.00 -1.25 0.00 0.00 55.69 51.53 2wg3 s MET 590 Cb 0.12 -2.34 -0.06 0.00 2.84 0.00 0.00 34.83 35.39 2wg3 s MET 590 CO 0.85 -1.32 1.34 -2.14 -0.65 0.00 0.00 175.02 173.10 2wg3 s PRO 591 N -0.50 3.39 0.19 4.11 0.02 -1.25 -4.93 135.00 136.02 2wg3 s PRO 591 Ca 0.27 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 2wg3 s PRO 591 Cb -0.04 -2.39 0.17 0.00 0.02 0.00 0.00 34.50 32.26 2wg3 s PRO 591 CO -0.16 -0.98 1.77 1.49 -0.33 0.00 0.00 177.00 178.79 2wg3 h GLU 592 N 1.79 0.45 0.00 5.54 4.81 -2.00 -1.69 114.58 123.48 2wg3 h GLU 592 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2wg3 h GLU 592 Cb 1.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2wg3 h GLU 592 CO 0.59 0.30 0.00 -0.85 -0.73 0.00 0.00 179.01 178.31 2wg3 n GLU 593 N -4.92 0.28 -0.07 1.92 0.00 -1.26 -2.28 120.64 114.31 2wg3 n GLU 593 Ca 0.05 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.44 2wg3 n GLU 593 Cb 0.17 -1.50 0.29 0.00 0.00 0.00 0.00 31.44 30.40 2wg3 n GLU 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wg3 s ARG 595 N -1.82 4.34 -0.09 0.00 0.52 -0.97 -5.00 118.95 115.93 2wg3 s ARG 595 Ca 0.34 2.22 -0.04 0.00 -0.52 0.00 0.00 55.73 57.74 2wg3 s ARG 595 Cb 0.20 -3.09 0.05 0.00 0.52 0.00 0.00 34.95 32.63 2wg3 s ARG 595 CO 0.30 -0.25 0.17 0.00 0.02 0.00 0.00 175.30 175.54 2wg3 s ALA 596 N -0.74 -0.22 0.15 2.13 0.00 -1.26 -5.14 121.76 116.68 2wg3 s ALA 596 Ca 0.52 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 2wg3 s ALA 596 Cb -0.40 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.83 2wg3 s ALA 596 CO 0.49 -0.53 1.47 0.99 0.00 0.00 0.00 175.76 178.19 2wg3 s THR 597 N 2.18 2.92 0.21 0.00 2.01 -1.26 -4.96 115.64 116.74 2wg3 s THR 597 Ca 0.01 0.68 -0.32 0.00 0.31 0.00 0.00 61.69 62.37 2wg3 s THR 597 Cb -0.12 -3.43 -0.12 0.00 0.01 0.00 0.00 72.50 68.84 2wg3 s THR 597 CO -0.06 0.06 1.72 -0.69 -0.69 0.00 0.00 174.62 174.95 2wg3 s VAL 598 N 0.98 2.05 -0.47 3.82 1.01 -1.26 -4.99 120.40 121.53 2wg3 s VAL 598 Ca 0.66 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.59 2wg3 s VAL 598 Cb -0.40 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.07 2wg3 s VAL 598 CO 0.32 0.00 0.34 -1.10 0.00 0.00 0.00 175.10 174.67 2wg3 s GLN 599 N 1.16 2.47 0.60 2.72 -0.21 -0.02 -4.99 119.66 121.39 2wg3 s GLN 599 Ca 0.75 -1.76 -0.19 0.00 0.02 0.00 0.00 55.36 54.17 2wg3 s GLN 599 Cb -0.50 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 29.56 2wg3 s GLN 599 CO 0.32 -1.19 1.17 -2.30 -2.12 0.00 0.00 175.29 171.17 2wg3 n PRO 600 N 4.90 1.17 -1.97 2.91 -0.02 -1.26 -2.74 135.00 137.99 2wg3 n PRO 600 Ca -0.08 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2wg3 n PRO 600 Cb 0.41 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.41 3.59 0.17 3.55 0.00 -1.26 -4.90 121.76 121.51 2wg3 s ALA 601 Ca 0.77 1.40 0.10 0.00 0.00 0.00 0.00 51.96 54.23 2wg3 s ALA 601 Cb -0.41 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 2wg3 s ALA 601 CO 0.46 -0.82 -0.20 -0.65 0.00 0.00 0.00 175.76 174.56 2wg3 s GLN 602 N -1.24 1.69 0.32 0.00 -1.52 -1.26 -4.91 119.66 112.75 2wg3 s GLN 602 Ca 0.55 -1.40 -0.28 0.00 -1.95 0.00 0.00 55.36 52.28 2wg3 s GLN 602 Cb -0.43 -1.97 -0.13 0.00 -0.22 0.00 0.00 33.01 30.27 2wg3 s GLN 602 CO 0.52 0.42 1.29 -2.37 -0.25 0.00 0.00 175.29 174.90 2wg3 n THR 603 N 0.32 1.85 -1.65 -0.19 5.66 -1.26 -4.78 114.28 114.24 2wg3 n THR 603 Ca -0.13 -0.46 -0.41 0.00 -3.05 0.00 0.00 64.05 60.00 2wg3 n THR 603 Cb 0.55 -1.53 0.01 0.00 -1.55 0.00 0.00 70.33 67.81 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 0.99 3.29 -0.07 1.09 4.77 -1.26 -4.97 117.00 120.84 2wg3 n LEU 604 Ca 0.06 1.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.99 2wg3 n LEU 604 Cb 0.35 -1.42 -0.08 0.00 -2.33 0.00 0.00 43.42 39.95 2wg3 n LEU 604 CO 0.62 -1.17 -0.97 0.41 -1.33 0.00 0.00 177.39 174.95 2wg3 n THR 605 N -0.47 0.86 -1.23 -5.08 -1.04 -1.26 -4.93 114.28 101.13 2wg3 n THR 605 Ca 0.09 -0.38 -0.48 0.00 -2.04 0.00 0.00 64.05 61.23 2wg3 n THR 605 Cb 0.40 -0.95 -0.07 0.00 -1.82 0.00 0.00 70.33 67.89 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 -2.82 0.16 -0.31 8.00 3.41 -1.26 -4.62 113.62 116.19 2wg3 n SER 606 Ca -0.25 0.93 0.25 0.00 -0.26 0.00 0.00 58.87 59.54 2wg3 n SER 606 Cb 0.82 -0.73 0.56 0.00 -0.26 0.00 0.00 64.21 64.60 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 2.66 0.29 -0.23 4.33 4.81 -1.97 0.27 114.58 124.75 2wg3 h GLU 607 Ca -0.40 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2wg3 h GLU 607 Cb 1.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2wg3 h GLU 607 CO 0.56 0.19 0.13 0.00 -0.73 0.00 0.00 179.01 179.16 2wg3 h SER 609 N 0.27 0.91 0.09 0.00 0.87 -0.76 0.42 113.55 115.34 2wg3 h SER 609 Ca 0.09 -0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 2wg3 h SER 609 Cb -0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2wg3 h SER 609 CO -0.04 0.78 -0.64 0.03 -0.53 0.00 0.00 176.83 176.42 2wg3 h ARG 610 N 1.00 0.53 0.00 2.24 3.08 -1.43 -3.40 114.38 116.40 2wg3 h ARG 610 Ca 0.24 -0.38 -0.25 0.00 0.07 0.00 0.00 59.98 59.66 2wg3 h ARG 610 Cb 0.12 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 2wg3 h ARG 610 CO -0.03 1.00 -1.95 1.28 -1.07 0.00 0.00 179.97 179.20 2wg3 n LEU 611 N -3.91 2.73 -4.56 3.04 4.77 -1.01 -4.89 117.00 113.17 2wg3 n LEU 611 Ca -0.04 -0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.49 2wg3 n LEU 611 Cb 0.66 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2wg3 n LEU 611 CO 0.48 0.74 1.51 0.00 -1.33 0.00 0.00 177.39 178.79 2wg3 n ARG 613 N 8.78 1.34 -1.93 0.00 1.74 -1.26 -4.55 116.66 120.78 2wg3 n ARG 613 Ca 0.38 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 57.13 2wg3 n ARG 613 Cb 0.49 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.67 7.31 0.00 0.55 3.02 -1.26 -4.89 115.26 117.31 2wg3 n ASN 614 Ca -0.24 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 50.91 2wg3 n ASN 614 Cb 0.89 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.69 -0.90 3.37 7.41 0.00 -1.26 -0.66 105.19 113.84 2wg3 n GLY 615 Ca 0.54 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.00 1.87 -0.20 1.61 -0.85 -0.15 -4.91 117.35 111.72 2wg3 s TYR 616 Ca 0.00 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 55.96 2wg3 s TYR 616 Cb 0.00 -0.87 -0.05 0.00 0.38 0.00 0.00 41.96 41.42 2wg3 s TYR 616 CO 0.00 0.43 0.14 0.00 -1.52 0.00 0.00 175.55 174.60 2wg3 s THR 618 N 0.42 2.50 0.01 0.00 -4.23 0.17 -4.90 115.64 109.60 2wg3 s THR 618 Ca 0.08 0.16 0.28 0.00 -1.18 0.00 0.00 61.69 61.03 2wg3 s THR 618 Cb -0.11 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.52 2wg3 s THR 618 CO -0.01 -0.21 1.85 -0.65 -0.54 0.00 0.00 174.62 175.05 2wg3 h PRO 619 N -1.76 0.00 -0.73 3.99 0.11 -1.84 -2.62 132.00 129.15 2wg3 h PRO 619 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wg3 h PRO 619 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wg3 h PRO 619 CO 0.51 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 2wg3 n THR 620 N -2.47 1.06 -0.63 -1.15 -2.24 -1.26 -4.88 114.28 102.71 2wg3 n THR 620 Ca -0.02 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 2wg3 n THR 620 Cb 0.05 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.63 0.74 3.71 3.38 0.00 -0.98 -5.04 105.19 108.62 2wg3 n GLY 621 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.37 4.55 -0.40 1.61 2.36 -1.26 -4.71 119.74 121.51 2wg3 s LYS 622 Ca 0.00 1.47 -0.15 0.00 -2.55 0.00 0.00 55.97 54.73 2wg3 s LYS 622 Cb 0.00 -3.44 0.02 0.00 -1.05 0.00 0.00 37.83 33.35 2wg3 s LYS 622 CO 0.00 -0.07 0.34 0.00 1.55 0.00 0.00 175.35 177.16 2wg3 s SER 626 N -2.60 4.37 0.29 0.00 0.01 0.16 -4.87 113.70 111.07 2wg3 s SER 626 Ca 0.57 1.07 -0.29 0.00 1.31 0.00 0.00 55.95 58.61 2wg3 s SER 626 Cb -0.10 -1.73 -0.10 0.00 0.21 0.00 0.00 66.02 64.30 2wg3 s SER 626 CO 0.22 -2.02 1.42 -2.84 0.41 0.00 0.00 173.24 170.43 2wg3 s PRO 627 N -5.31 4.26 0.00 12.44 0.02 -1.26 -3.15 135.00 142.00 2wg3 s PRO 627 Ca 0.61 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.96 2wg3 s PRO 627 Cb -0.13 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2wg3 s PRO 627 CO 0.53 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 2wg3 n GLY 628 N 1.62 3.19 3.78 0.52 0.00 -1.26 -5.05 105.19 107.99 2wg3 n GLY 628 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.96 3.23 0.35 1.61 0.52 -1.19 -3.73 118.94 116.77 2wg3 s TRP 629 Ca 0.00 0.11 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 2wg3 s TRP 629 Cb 0.00 -1.65 -0.00 0.00 -1.15 0.00 0.00 33.47 30.66 2wg3 s TRP 629 CO 0.00 0.53 0.45 -1.21 0.02 0.00 0.00 176.95 176.74 2wg3 s GLU 630 N -2.26 1.91 0.00 4.98 0.41 -0.38 -4.71 118.70 118.65 2wg3 s GLU 630 Ca 0.28 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.02 2wg3 s GLU 630 Cb -0.12 0.43 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 2wg3 s GLU 630 CO 0.21 -0.78 0.00 0.41 -0.49 0.00 0.00 175.26 174.61 2wg3 n GLY 631 N -0.58 1.17 0.29 -1.39 0.00 -1.26 -2.69 105.19 100.72 2wg3 n GLY 631 Ca 0.02 -2.28 0.02 0.00 0.00 0.00 0.00 46.02 43.78 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 0.46 -0.16 1.61 3.32 -2.01 -3.24 116.42 116.41 2wg3 h ASP 632 Ca 0.00 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 2wg3 h ASP 632 Cb 0.00 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 39.15 2wg3 h ASP 632 CO 0.00 0.44 -0.87 0.49 -1.72 0.00 0.00 179.24 177.58 2wg3 n PHE 633 N -4.37 0.54 -3.96 4.55 3.72 -1.26 -4.62 117.46 112.05 2wg3 n PHE 633 Ca 0.02 -1.27 -0.32 0.00 -0.05 0.00 0.00 57.45 55.83 2wg3 n PHE 633 Cb 0.16 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 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 -1.74 0.13 -5.54 0.00 3.08 -1.87 -3.40 114.38 105.04 2wg3 h ARG 635 Ca -0.57 -0.22 -0.65 0.00 0.07 0.00 0.00 59.98 58.62 2wg3 h ARG 635 Cb 1.37 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 31.39 2wg3 h ARG 635 CO 0.70 1.05 -0.52 0.95 -1.07 0.00 0.00 179.97 181.08 2wg3 s THR 636 N -2.67 5.18 0.00 2.04 -4.23 -1.10 -5.00 115.64 109.87 2wg3 s THR 636 Ca -0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2wg3 s THR 636 Cb 0.08 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2wg3 s THR 636 CO 0.85 0.55 0.00 0.00 -0.54 0.00 0.00 174.62 175.48 2wg3 n ALA 637 N 2.64 0.00 -1.54 3.99 0.00 -1.26 -1.25 120.51 123.08 2wg3 n ALA 637 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wg3 n ALA 637 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wg3 n ALA 637 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67