#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg4 s PHE 217 N -1.97 3.01 0.24 0.00 0.08 -0.34 -4.58 117.98 114.41 2wg4 s PHE 217 Ca 0.38 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.44 2wg4 s PHE 217 Cb -0.10 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 2wg4 s PHE 217 CO 0.30 0.52 -0.13 0.00 -0.10 0.00 0.00 175.22 175.81 2wg4 s ILE 219 N -2.88 1.11 -0.06 0.00 -4.36 -1.26 -1.10 121.20 112.65 2wg4 s ILE 219 Ca 0.26 -0.80 0.05 0.00 -0.26 0.00 0.00 60.65 59.91 2wg4 s ILE 219 Cb -0.00 -0.97 -0.01 0.00 1.25 0.00 0.00 42.46 42.73 2wg4 s ILE 219 CO 0.10 0.16 -0.24 0.00 0.24 0.00 0.00 174.94 175.21 2wg4 s GLN 220 N -0.73 2.51 0.58 0.37 -2.07 -0.79 -4.91 119.66 114.62 2wg4 s GLN 220 Ca 0.04 -0.85 -0.18 0.00 -1.82 0.00 0.00 55.36 52.54 2wg4 s GLN 220 Cb -0.07 -2.08 -0.04 0.00 -1.09 0.00 0.00 33.01 29.73 2wg4 s GLN 220 CO 0.00 0.32 1.14 -2.00 -1.32 0.00 0.00 175.29 173.44 2wg4 s GLU 221 N -0.04 3.13 0.00 9.60 2.12 -1.26 -1.15 118.70 131.10 2wg4 s GLU 221 Ca -0.06 1.62 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2wg4 s GLU 221 Cb -0.14 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2wg4 s GLU 221 CO 0.04 -1.03 0.00 0.28 -0.54 0.00 0.00 175.26 174.01 2wg4 n VAL 222 N -1.61 0.00 -3.76 3.70 0.31 0.12 -4.89 118.33 112.20 2wg4 n VAL 222 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 2wg4 n VAL 222 Cb 0.51 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 2wg4 n VAL 222 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wg4 s VAL 223 N -1.98 0.01 0.02 2.52 1.01 -1.22 -4.97 120.40 115.79 2wg4 s VAL 223 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2wg4 s VAL 223 Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 2wg4 s VAL 223 CO 0.00 -0.06 0.00 -0.24 0.00 0.00 0.00 175.10 174.80 2wg4 n SER 224 N 2.56 2.01 -0.22 3.32 2.88 -1.26 -0.90 113.62 122.02 2wg4 n SER 224 Ca -0.15 -1.09 -0.03 0.00 -1.33 0.00 0.00 58.87 56.27 2wg4 n SER 224 Cb 0.57 0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 64.04 2wg4 n SER 224 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wg4 n GLY 225 N 4.66 0.40 3.75 0.46 0.00 -1.01 -4.90 105.19 108.54 2wg4 n GLY 225 Ca -0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2wg4 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wg4 s LEU 226 N -0.64 3.30 -0.82 0.99 1.43 0.74 -4.81 118.68 118.86 2wg4 s LEU 226 Ca 0.00 2.14 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 2wg4 s LEU 226 Cb 0.00 -4.56 0.21 0.00 0.03 0.00 0.00 46.19 41.86 2wg4 s LEU 226 CO 0.00 -2.00 0.69 -0.60 0.23 0.00 0.00 176.35 174.67 2wg4 s ARG 227 N -4.12 3.13 -0.91 1.70 3.52 -1.26 -3.14 118.95 117.87 2wg4 s ARG 227 Ca 0.69 -3.01 -0.06 0.00 -0.13 0.00 0.00 55.73 53.23 2wg4 s ARG 227 Cb -0.24 -3.95 -0.02 0.00 -1.56 0.00 0.00 34.95 29.19 2wg4 s ARG 227 CO 0.45 -1.24 0.76 1.04 -0.81 0.00 0.00 175.30 175.50 2wg4 n GLN 228 N 2.78 -1.54 -1.81 5.12 1.13 -1.26 -4.10 117.38 117.70 2wg4 n GLN 228 Ca 0.17 1.03 -0.34 0.00 -1.94 0.00 0.00 57.00 55.92 2wg4 n GLN 228 Cb 0.38 -4.95 0.05 0.00 0.11 0.00 0.00 30.24 25.83 2wg4 n GLN 228 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2wg4 s PRO 229 N -4.22 2.79 0.00 -1.09 0.02 -1.26 0.62 135.00 131.86 2wg4 s PRO 229 Ca 0.21 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.76 2wg4 s PRO 229 Cb -0.05 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2wg4 s PRO 229 CO 0.79 -1.28 0.00 1.33 -0.33 0.00 0.00 177.00 177.51 2wg4 n VAL 230 N -2.20 0.00 -3.62 3.83 0.24 -0.61 -4.72 118.33 111.26 2wg4 n VAL 230 Ca 0.11 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2wg4 n VAL 230 Cb 0.51 -0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 32.34 2wg4 n VAL 230 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wg4 s GLY 231 N -2.42 -0.37 0.00 7.63 0.00 -1.24 -3.97 107.32 106.94 2wg4 s GLY 231 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 44.72 45.53 2wg4 s GLY 231 CO 0.00 0.23 0.21 0.00 0.00 0.00 0.00 173.10 173.53 2wg4 s ALA 232 N -2.48 -0.50 0.38 3.20 0.00 -1.08 -0.34 121.76 120.95 2wg4 s ALA 232 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 2wg4 s ALA 232 Cb 0.03 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.33 2wg4 s ALA 232 CO -0.04 -0.25 0.73 -0.48 0.00 0.00 0.00 175.76 175.72 2wg4 s LEU 233 N -1.49 0.25 0.00 0.00 2.34 -0.53 -2.89 118.68 116.36 2wg4 s LEU 233 Ca -0.13 -1.26 0.00 0.00 0.06 0.00 0.00 54.13 52.81 2wg4 s LEU 233 Cb -0.06 2.56 0.00 0.00 -0.56 0.00 0.00 46.19 48.14 2wg4 s LEU 233 CO 0.02 -1.63 0.04 0.00 -1.06 0.00 0.00 176.35 173.71 2wg4 n HIS 234 N -0.55 0.40 -0.02 3.48 1.44 -1.22 -0.66 115.22 118.09 2wg4 n HIS 234 Ca -0.07 -1.41 0.00 0.00 -2.01 0.00 0.00 57.72 54.23 2wg4 n HIS 234 Cb 0.60 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.51 2wg4 n HIS 234 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2wg4 n SER 235 N -1.30 0.14 -3.01 4.39 3.41 -1.26 -4.70 113.62 111.29 2wg4 n SER 235 Ca -0.10 -0.52 -0.03 0.00 -0.26 0.00 0.00 58.87 57.95 2wg4 n SER 235 Cb 0.36 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 2wg4 n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wg4 n GLY 236 N 0.72 -1.26 0.00 5.00 0.00 -1.26 -4.73 105.19 103.66 2wg4 n GLY 236 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2wg4 n GLY 236 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wg4 n ASP 237 N -1.34 0.00 0.00 1.61 5.75 -1.26 -4.62 116.55 116.69 2wg4 n ASP 237 Ca 0.03 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2wg4 n ASP 237 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2wg4 n ASP 237 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg4 n GLY 238 N 0.00 3.09 0.18 6.12 0.00 -1.26 -4.85 105.19 108.47 2wg4 n GLY 238 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2wg4 n GLY 238 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wg4 h SER 239 N 0.00 0.00 -3.83 1.61 4.64 -1.58 -2.50 113.55 111.89 2wg4 h SER 239 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2wg4 h SER 239 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2wg4 h SER 239 CO 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.62 2wg4 n GLN 240 N -2.41 -2.26 -2.88 4.77 6.02 -1.26 -4.68 117.38 114.68 2wg4 n GLN 240 Ca 0.00 0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 57.22 2wg4 n GLN 240 Cb 0.14 -5.24 -0.05 0.00 1.02 0.00 0.00 30.24 26.11 2wg4 n GLN 240 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wg4 s ARG 241 N -5.07 4.63 -0.37 -1.09 0.52 -1.26 -3.70 118.95 112.60 2wg4 s ARG 241 Ca 0.02 1.26 -0.10 0.00 -0.52 0.00 0.00 55.73 56.39 2wg4 s ARG 241 Cb -0.01 -3.32 0.04 0.00 0.52 0.00 0.00 34.95 32.19 2wg4 s ARG 241 CO 0.02 0.41 0.19 -1.17 0.02 0.00 0.00 175.30 174.78 2wg4 s LEU 242 N -0.64 4.70 -0.15 2.53 2.96 -0.50 -4.51 118.68 123.07 2wg4 s LEU 242 Ca 0.40 -1.12 -0.26 0.00 -0.22 0.00 0.00 54.13 52.92 2wg4 s LEU 242 Cb -0.23 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2wg4 s LEU 242 CO 0.27 -0.40 0.88 -0.36 -1.32 0.00 0.00 176.35 175.42 2wg4 s PHE 243 N 1.50 3.45 -0.29 5.38 0.40 0.16 -1.20 117.98 127.39 2wg4 s PHE 243 Ca 0.01 1.35 -0.05 0.00 -0.60 0.00 0.00 56.93 57.64 2wg4 s PHE 243 Cb -0.20 -3.05 0.02 0.00 0.51 0.00 0.00 43.02 40.29 2wg4 s PHE 243 CO 0.05 -0.22 0.05 0.42 0.70 0.00 0.00 175.22 176.21 2wg4 s ILE 244 N 2.05 3.66 0.08 0.64 1.01 0.11 -1.46 121.20 127.30 2wg4 s ILE 244 Ca 0.41 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 2wg4 s ILE 244 Cb -0.17 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2wg4 s ILE 244 CO 0.14 0.09 1.02 -0.76 0.00 0.00 0.00 174.94 175.43 2wg4 s LEU 245 N 1.44 4.44 -0.07 2.97 1.02 0.54 -1.45 118.68 127.57 2wg4 s LEU 245 Ca 0.01 1.84 0.03 0.00 0.02 0.00 0.00 54.13 56.03 2wg4 s LEU 245 Cb -0.17 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.43 2wg4 s LEU 245 CO 0.01 -0.21 -0.14 -1.61 0.02 0.00 0.00 176.35 174.42 2wg4 s GLU 246 N 0.38 2.74 0.36 1.70 2.02 0.49 -1.58 118.70 124.82 2wg4 s GLU 246 Ca 0.50 -0.69 0.17 0.00 0.02 0.00 0.00 54.97 54.97 2wg4 s GLU 246 Cb -0.25 -2.45 1.11 0.00 0.10 0.00 0.00 34.13 32.64 2wg4 s GLU 246 CO 0.30 0.51 1.69 -0.22 0.02 0.00 0.00 175.26 177.56 2wg4 h LYS 247 N 5.72 0.34 -0.23 1.61 1.63 0.03 -1.53 116.57 124.13 2wg4 h LYS 247 Ca -0.41 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2wg4 h LYS 247 Cb 1.17 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2wg4 h LYS 247 CO 0.52 0.23 0.00 0.39 -3.45 0.00 0.00 179.45 177.13 2wg4 n GLU 248 N -4.88 1.75 0.00 1.90 1.02 -1.26 -1.76 120.64 117.41 2wg4 n GLU 248 Ca 0.30 -1.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 2wg4 n GLU 248 Cb 0.99 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 2wg4 n GLU 248 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wg4 n GLY 249 N 1.10 1.00 3.17 0.62 0.00 -0.58 -4.11 105.19 106.39 2wg4 n GLY 249 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 2wg4 n GLY 249 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wg4 s TYR 250 N -1.99 1.31 -0.26 1.61 2.02 -1.21 -1.27 117.35 117.57 2wg4 s TYR 250 Ca 0.00 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2wg4 s TYR 250 Cb 0.00 -0.76 0.07 0.00 -0.40 0.00 0.00 41.96 40.87 2wg4 s TYR 250 CO 0.00 0.06 -0.01 0.08 -1.57 0.00 0.00 175.55 174.11 2wg4 s VAL 251 N -1.00 1.45 0.18 0.71 1.01 -0.49 -0.38 120.40 121.88 2wg4 s VAL 251 Ca 0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.64 2wg4 s VAL 251 Cb -0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2wg4 s VAL 251 CO 0.02 -0.26 0.38 -0.54 0.00 0.00 0.00 175.10 174.70 2wg4 s LYS 252 N 1.40 3.54 -0.10 2.72 1.02 -0.53 -0.74 119.74 127.06 2wg4 s LYS 252 Ca -0.01 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 2wg4 s LYS 252 Cb -0.19 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2wg4 s LYS 252 CO -0.09 0.43 0.01 0.42 -0.92 0.00 0.00 175.35 175.20 2wg4 s ILE 253 N -1.79 4.39 -0.20 2.17 1.01 -1.26 0.07 121.20 125.59 2wg4 s ILE 253 Ca 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 2wg4 s ILE 253 Cb -0.11 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.51 2wg4 s ILE 253 CO 0.28 0.59 -0.14 -0.22 0.00 0.00 0.00 174.94 175.45 2wg4 s LEU 254 N -0.76 2.53 0.70 2.97 2.96 -0.34 -2.42 118.68 124.32 2wg4 s LEU 254 Ca 0.12 -0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 53.18 2wg4 s LEU 254 Cb -0.12 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.04 2wg4 s LEU 254 CO 0.02 -0.04 1.17 0.42 -1.32 0.00 0.00 176.35 176.61 2wg4 s THR 255 N 1.31 2.66 0.66 3.68 -4.23 -0.64 -1.41 115.64 117.67 2wg4 s THR 255 Ca 0.03 0.33 0.33 0.00 -1.18 0.00 0.00 61.69 61.20 2wg4 s THR 255 Cb -0.14 -2.88 0.34 0.00 1.34 0.00 0.00 72.50 71.15 2wg4 s THR 255 CO -0.09 -0.17 2.02 -0.65 -0.54 0.00 0.00 174.62 175.18 2wg4 h PRO 256 N -0.09 0.00 0.09 3.99 0.11 -1.83 -1.57 132.00 132.69 2wg4 h PRO 256 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wg4 h PRO 256 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wg4 h PRO 256 CO 0.52 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 179.19 2wg4 h GLU 257 N 0.00 -0.12 0.00 1.05 5.08 -1.91 -3.48 114.58 115.19 2wg4 h GLU 257 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wg4 h GLU 257 Cb 0.56 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2wg4 h GLU 257 CO -0.00 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 178.84 2wg4 n GLY 258 N 0.86 -0.58 3.84 -3.84 0.00 -0.59 -5.16 105.19 99.72 2wg4 n GLY 258 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2wg4 n GLY 258 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wg4 s GLU 259 N 0.00 3.17 -0.15 1.61 -1.05 -1.26 -4.87 118.70 116.16 2wg4 s GLU 259 Ca 0.00 -0.50 -0.14 0.00 -0.15 0.00 0.00 54.97 54.17 2wg4 s GLU 259 Cb 0.00 -2.91 -0.05 0.00 -0.44 0.00 0.00 34.13 30.73 2wg4 s GLU 259 CO 0.00 0.62 0.32 0.42 0.95 0.00 0.00 175.26 177.57 2wg4 s ILE 260 N -1.36 5.28 0.79 1.83 -1.09 -1.26 -1.62 121.20 123.78 2wg4 s ILE 260 Ca 0.29 0.61 -0.14 0.00 -2.23 0.00 0.00 60.65 59.18 2wg4 s ILE 260 Cb -0.12 -3.66 0.07 0.00 -1.58 0.00 0.00 42.46 37.17 2wg4 s ILE 260 CO 0.21 0.39 1.18 0.49 -1.23 0.00 0.00 174.94 175.98 2wg4 n PHE 261 N 3.50 1.26 0.11 3.97 3.72 -1.01 -4.97 117.46 124.04 2wg4 n PHE 261 Ca -0.11 0.41 -0.08 0.00 -0.05 0.00 0.00 57.45 57.61 2wg4 n PHE 261 Cb 0.52 -2.12 -0.05 0.00 -0.94 0.00 0.00 39.48 36.90 2wg4 n PHE 261 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2wg4 h LYS 262 N -0.73 -0.35 -6.34 -1.08 3.11 -1.97 -3.44 116.57 105.77 2wg4 h LYS 262 Ca -0.47 0.02 -0.55 0.00 -2.81 0.00 0.00 60.65 56.85 2wg4 h LYS 262 Cb 1.31 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.59 2wg4 h LYS 262 CO 0.46 -0.11 0.45 -1.21 -2.81 0.00 0.00 179.45 176.23 2wg4 s GLU 263 N -3.06 4.50 0.46 1.90 0.41 -1.26 -5.02 118.70 116.63 2wg4 s GLU 263 Ca -0.08 1.40 -0.25 0.00 -0.41 0.00 0.00 54.97 55.63 2wg4 s GLU 263 Cb 0.01 -3.49 -0.08 0.00 -1.78 0.00 0.00 34.13 28.78 2wg4 s GLU 263 CO 0.28 -0.16 1.38 -2.14 -0.49 0.00 0.00 175.26 174.13 2wg4 s PRO 264 N 1.43 3.65 0.07 0.39 0.02 -1.26 -4.83 135.00 134.47 2wg4 s PRO 264 Ca 0.50 2.31 -0.21 0.00 0.02 0.00 0.00 61.00 63.62 2wg4 s PRO 264 Cb -0.20 -2.60 -0.12 0.00 0.02 0.00 0.00 34.50 31.61 2wg4 s PRO 264 CO 0.24 -0.81 1.58 -0.92 -0.33 0.00 0.00 177.00 176.75 2wg4 h TYR 265 N 2.23 0.23 -4.06 6.54 5.03 -1.06 -3.44 116.97 122.44 2wg4 h TYR 265 Ca -0.51 -0.02 -0.43 0.00 2.58 0.00 0.00 58.73 60.35 2wg4 h TYR 265 Cb 1.27 -0.07 -0.26 0.00 1.55 0.00 0.00 36.73 39.22 2wg4 h TYR 265 CO 0.50 0.35 -0.79 -1.17 -1.32 0.00 0.00 178.16 175.73 2wg4 s LEU 266 N -9.75 2.13 -0.24 2.82 2.96 -1.05 -1.62 118.68 113.94 2wg4 s LEU 266 Ca -0.14 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2wg4 s LEU 266 Cb 0.06 -0.57 0.10 0.00 0.50 0.00 0.00 46.19 46.29 2wg4 s LEU 266 CO 0.70 0.05 0.22 -0.62 -1.32 0.00 0.00 176.35 175.39 2wg4 s ASP 267 N -0.89 1.79 -0.03 3.68 3.68 -1.26 -1.39 116.67 122.24 2wg4 s ASP 267 Ca 0.02 -0.53 0.21 0.00 2.13 0.00 0.00 52.55 54.38 2wg4 s ASP 267 Cb -0.07 0.29 0.38 0.00 -1.45 0.00 0.00 42.92 42.08 2wg4 s ASP 267 CO 0.01 -0.36 1.16 2.30 0.13 0.00 0.00 175.17 178.41 2wg4 n ILE 268 N 5.31 0.33 0.31 4.11 -5.35 -0.40 -4.88 119.36 118.78 2wg4 n ILE 268 Ca -0.05 -1.22 0.18 0.00 -0.27 0.00 0.00 62.75 61.40 2wg4 n ILE 268 Cb 0.48 0.76 0.95 0.00 -1.74 0.00 0.00 39.64 40.09 2wg4 n ILE 268 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2wg4 h HIS 269 N 0.88 0.00 0.01 4.28 2.07 -1.64 0.13 115.15 120.88 2wg4 h HIS 269 Ca -0.17 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.09 2wg4 h HIS 269 Cb 1.72 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.71 2wg4 h HIS 269 CO 0.25 0.00 -1.02 1.57 -3.07 0.00 0.00 177.93 175.66 2wg4 h LYS 270 N 0.00 0.58 -0.03 5.12 2.10 -1.90 -3.31 116.57 119.14 2wg4 h LYS 270 Ca 0.02 -0.64 -0.24 0.00 -2.00 0.00 0.00 60.65 57.79 2wg4 h LYS 270 Cb 0.45 0.18 0.01 0.00 -0.90 0.00 0.00 32.23 31.97 2wg4 h LYS 270 CO -0.00 1.25 -0.95 -0.07 -2.00 0.00 0.00 179.45 177.67 2wg4 h LEU 271 N 0.33 0.77 -9.28 7.07 3.38 -1.39 -3.44 115.31 112.74 2wg4 h LEU 271 Ca -0.11 -0.59 -0.57 0.00 0.09 0.00 0.00 57.88 56.70 2wg4 h LEU 271 Cb 1.66 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 2wg4 h LEU 271 CO 0.19 1.39 0.21 0.54 0.09 0.00 0.00 178.44 180.86 2wg4 s VAL 272 N -3.39 4.97 -0.53 1.22 0.11 -0.84 -4.51 120.40 117.44 2wg4 s VAL 272 Ca -0.08 1.54 -0.12 0.00 -2.93 0.00 0.00 61.98 60.39 2wg4 s VAL 272 Cb 0.08 -4.09 0.13 0.00 -1.53 0.00 0.00 36.38 30.97 2wg4 s VAL 272 CO 0.90 0.16 0.44 -1.10 -3.33 0.00 0.00 175.10 172.17 2wg4 s GLN 273 N 1.34 2.77 0.00 1.54 1.11 -0.80 -4.84 119.66 120.78 2wg4 s GLN 273 Ca 0.38 -1.82 0.00 0.00 0.01 0.00 0.00 55.36 53.94 2wg4 s GLN 273 Cb -0.18 -4.11 0.00 0.00 -1.01 0.00 0.00 33.01 27.71 2wg4 s GLN 273 CO 0.17 -1.26 0.00 -1.13 0.01 0.00 0.00 175.29 173.08 2wg4 n SER 274 N 4.94 0.00 0.00 5.90 3.41 -1.26 -3.90 113.62 122.71 2wg4 n SER 274 Ca -0.08 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 2wg4 n SER 274 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2wg4 n SER 274 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wg4 n GLY 275 N 5.00 1.09 3.56 5.00 0.00 -1.25 -4.87 105.19 113.72 2wg4 n GLY 275 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2wg4 n GLY 275 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wg4 s ILE 276 N -2.00 3.61 0.00 -0.61 -4.36 -1.26 -4.64 121.20 111.95 2wg4 s ILE 276 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 2wg4 s ILE 276 Cb 0.00 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.23 2wg4 s ILE 276 CO 0.00 0.59 0.00 0.29 0.24 0.00 0.00 174.94 176.06 2wg4 n LYS 277 N 2.33 0.00 -0.88 0.37 4.76 -1.26 -5.08 118.16 118.40 2wg4 n LYS 277 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2wg4 n LYS 277 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 2wg4 n LYS 277 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wg4 n ASP 280 N 0.00 -1.62 -1.00 4.39 4.64 -1.26 -5.19 116.55 116.51 2wg4 n ASP 280 Ca 0.00 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.53 2wg4 n ASP 280 Cb 0.00 -0.81 0.14 0.00 -1.04 0.00 0.00 41.12 39.41 2wg4 n ASP 280 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2wg4 n GLU 281 N 0.50 2.37 -1.78 -0.67 1.02 -0.95 -4.85 120.64 116.28 2wg4 n GLU 281 Ca 0.00 -2.00 -0.37 0.00 -0.02 0.00 0.00 57.16 54.77 2wg4 n GLU 281 Cb 0.00 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.01 2wg4 n GLU 281 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wg4 s ARG 282 N -1.87 2.61 0.00 3.49 0.52 -1.26 -4.87 118.95 117.58 2wg4 s ARG 282 Ca 0.31 2.01 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2wg4 s ARG 282 Cb 0.21 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.82 2wg4 s ARG 282 CO 0.31 -1.54 0.00 0.41 0.02 0.00 0.00 175.30 174.50 2wg4 n GLY 283 N 0.81 0.75 3.63 -3.53 0.00 -1.25 -3.75 105.19 101.85 2wg4 n GLY 283 Ca 0.15 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 2wg4 n GLY 283 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wg4 s LEU 284 N 0.00 3.92 -0.16 0.99 2.96 -0.72 -1.94 118.68 123.72 2wg4 s LEU 284 Ca 0.00 1.50 -0.13 0.00 -0.22 0.00 0.00 54.13 55.28 2wg4 s LEU 284 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 2wg4 s LEU 284 CO 0.00 -1.16 -0.10 0.18 -1.32 0.00 0.00 176.35 173.95 2wg4 n LEU 285 N 8.03 1.83 -3.68 -0.68 4.77 -0.21 -4.73 117.00 122.33 2wg4 n LEU 285 Ca 0.17 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.62 2wg4 n LEU 285 Cb 0.46 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 2wg4 n LEU 285 CO 0.64 -0.27 0.25 -0.55 -1.33 0.00 0.00 177.39 176.13 2wg4 s SER 286 N -6.04 -0.28 -0.12 -1.43 0.15 -1.00 -4.89 113.70 100.08 2wg4 s SER 286 Ca -0.19 -0.40 -0.10 0.00 0.70 0.00 0.00 55.95 55.96 2wg4 s SER 286 Cb 0.03 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 2wg4 s SER 286 CO 0.32 -0.99 0.31 -0.22 1.20 0.00 0.00 173.24 173.85 2wg4 s LEU 287 N -2.85 0.67 -0.05 3.45 0.20 -1.26 -0.28 118.68 118.56 2wg4 s LEU 287 Ca 0.07 0.63 -0.01 0.00 0.69 0.00 0.00 54.13 55.51 2wg4 s LEU 287 Cb -0.00 1.03 0.03 0.00 -0.43 0.00 0.00 46.19 46.81 2wg4 s LEU 287 CO -0.06 -0.12 0.02 0.00 -0.29 0.00 0.00 176.35 175.90 2wg4 s ALA 288 N 0.46 0.45 0.30 5.97 0.00 0.21 -4.88 121.76 124.26 2wg4 s ALA 288 Ca -0.02 0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.71 2wg4 s ALA 288 Cb -0.04 -0.60 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2wg4 s ALA 288 CO -0.02 -0.38 0.98 -0.06 0.00 0.00 0.00 175.76 176.27 2wg4 s PHE 289 N 1.83 3.73 0.39 0.00 0.40 -1.26 -0.37 117.98 122.69 2wg4 s PHE 289 Ca 0.02 1.80 -0.27 0.00 -0.60 0.00 0.00 56.93 57.88 2wg4 s PHE 289 Cb -0.12 -3.01 -0.09 0.00 0.51 0.00 0.00 43.02 40.30 2wg4 s PHE 289 CO -0.04 0.09 1.34 -1.58 0.70 0.00 0.00 175.22 175.73 2wg4 s HIS 290 N -1.42 2.81 0.59 0.36 5.65 -0.10 -4.87 115.29 118.30 2wg4 s HIS 290 Ca 0.47 1.37 0.29 0.00 0.25 0.00 0.00 55.06 57.44 2wg4 s HIS 290 Cb -0.23 -3.74 1.44 0.00 -1.18 0.00 0.00 32.58 28.87 2wg4 s HIS 290 CO 0.29 -2.22 1.85 -1.35 -0.65 0.00 0.00 174.74 172.66 2wg4 h PRO 291 N 2.84 0.00 -0.40 2.88 0.11 -1.91 0.12 132.00 135.64 2wg4 h PRO 291 Ca -0.50 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 2wg4 h PRO 291 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 2wg4 h PRO 291 CO 0.63 0.00 -0.16 0.09 -0.21 0.00 0.00 178.00 178.35 2wg4 n ASN 292 N -3.73 2.91 0.04 -2.05 3.02 -1.26 -4.73 115.26 109.47 2wg4 n ASN 292 Ca 0.11 -3.81 0.21 0.00 -0.03 0.00 0.00 54.58 51.06 2wg4 n ASN 292 Cb 0.77 -0.61 0.74 0.00 -0.61 0.00 0.00 39.78 40.06 2wg4 n ASN 292 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2wg4 h TYR 293 N 1.18 0.00 0.00 3.10 5.03 -1.01 0.28 116.97 125.55 2wg4 h TYR 293 Ca 0.24 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.54 2wg4 h TYR 293 Cb 1.54 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.82 2wg4 h TYR 293 CO 1.02 0.00 -0.04 -0.22 -1.32 0.00 0.00 178.16 177.61 2wg4 h LYS 294 N 0.00 0.00 0.00 1.82 3.64 -1.83 0.19 116.57 120.39 2wg4 h LYS 294 Ca 0.23 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.38 2wg4 h LYS 294 Cb 1.11 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2wg4 h LYS 294 CO -0.00 0.04 -1.78 1.17 -2.27 0.00 0.00 179.45 176.61 2wg4 n LYS 295 N -3.49 0.30 0.05 1.90 4.81 0.85 -4.78 118.16 117.80 2wg4 n LYS 295 Ca -0.02 0.12 0.11 0.00 -0.87 0.00 0.00 58.31 57.65 2wg4 n LYS 295 Cb 0.14 -1.03 -0.06 0.00 0.02 0.00 0.00 35.03 34.10 2wg4 n LYS 295 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2wg4 n ASN 296 N -3.53 0.49 -2.06 3.14 0.23 -0.43 -4.34 115.26 108.75 2wg4 n ASN 296 Ca -0.27 0.11 -0.19 0.00 -0.53 0.00 0.00 54.58 53.70 2wg4 n ASN 296 Cb 0.70 1.10 -0.02 0.00 -2.08 0.00 0.00 39.78 39.48 2wg4 n ASN 296 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wg4 n GLY 297 N 1.24 -0.08 3.76 4.83 0.00 0.05 -4.85 105.19 110.14 2wg4 n GLY 297 Ca -0.01 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2wg4 n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wg4 s LYS 298 N -4.75 4.30 0.22 1.61 -0.14 -1.26 -2.20 119.74 117.53 2wg4 s LYS 298 Ca 0.00 0.66 0.02 0.00 -1.36 0.00 0.00 55.97 55.30 2wg4 s LYS 298 Cb 0.00 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.74 2wg4 s LYS 298 CO 0.00 0.32 0.03 -0.48 -0.76 0.00 0.00 175.35 174.46 2wg4 s LEU 299 N 0.00 2.01 -0.02 3.17 2.34 -0.99 -0.93 118.68 124.27 2wg4 s LEU 299 Ca 0.30 -1.25 0.00 0.00 0.06 0.00 0.00 54.13 53.24 2wg4 s LEU 299 Cb -0.17 -0.12 0.02 0.00 -0.56 0.00 0.00 46.19 45.36 2wg4 s LEU 299 CO 0.16 -0.59 -0.00 -0.31 -1.06 0.00 0.00 176.35 174.54 2wg4 s TYR 300 N -3.59 0.26 -0.01 3.48 1.51 0.50 -1.41 117.35 118.09 2wg4 s TYR 300 Ca 0.30 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 2wg4 s TYR 300 Cb 0.06 -0.34 -0.01 0.00 -0.11 0.00 0.00 41.96 41.57 2wg4 s TYR 300 CO 0.09 -0.10 -0.11 0.54 -1.11 0.00 0.00 175.55 174.86 2wg4 s VAL 301 N 0.81 0.85 -0.06 0.71 0.11 -0.53 0.63 120.40 122.91 2wg4 s VAL 301 Ca -0.08 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 2wg4 s VAL 301 Cb -0.11 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2wg4 s VAL 301 CO -0.02 0.24 -0.15 -0.94 -3.33 0.00 0.00 175.10 170.91 2wg4 s SER 302 N -0.19 3.94 0.21 3.54 1.04 0.61 -1.70 113.70 121.15 2wg4 s SER 302 Ca 0.03 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 2wg4 s SER 302 Cb -0.05 -0.98 0.05 0.00 0.10 0.00 0.00 66.02 65.14 2wg4 s SER 302 CO -0.00 0.30 0.66 -0.72 0.98 0.00 0.00 173.24 174.46 2wg4 s TYR 303 N -0.48 -0.38 -0.12 5.02 1.13 -0.57 -1.04 117.35 120.91 2wg4 s TYR 303 Ca 0.06 0.07 -0.08 0.00 -1.41 0.00 0.00 57.07 55.71 2wg4 s TYR 303 Cb -0.12 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2wg4 s TYR 303 CO 0.02 -1.01 0.16 0.95 -2.51 0.00 0.00 175.55 173.16 2wg4 s THR 304 N -3.81 5.46 0.28 -3.49 -4.23 -0.82 -0.10 115.64 108.93 2wg4 s THR 304 Ca 0.05 0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.82 2wg4 s THR 304 Cb -0.03 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2wg4 s THR 304 CO -0.04 0.59 0.30 0.28 -0.54 0.00 0.00 174.62 175.21 2wg4 s THR 305 N -0.85 0.00 0.00 3.99 -1.32 0.76 -1.90 115.64 116.31 2wg4 s THR 305 Ca 0.15 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 2wg4 s THR 305 Cb -0.12 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 2wg4 s THR 305 CO 0.04 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.99 2wg4 n ASN 306 N -0.92 0.00 0.00 8.08 2.04 -1.26 0.13 115.26 123.33 2wg4 n ASN 306 Ca 0.03 -0.59 0.00 0.00 -0.44 0.00 0.00 54.58 53.58 2wg4 n ASN 306 Cb 0.63 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.88 2wg4 n ASN 306 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2wg4 n GLN 307 N 0.00 0.00 -2.24 -3.83 6.02 -1.26 -5.02 117.38 111.05 2wg4 n GLN 307 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wg4 n GLN 307 Cb 0.00 -0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.08 2wg4 n GLN 307 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wg4 n HIS 315 N -2.08 -3.52 0.10 1.08 -0.00 -1.26 -5.08 115.22 104.47 2wg4 n HIS 315 Ca 0.00 2.09 -0.23 0.00 -0.00 0.00 0.00 57.72 59.59 2wg4 n HIS 315 Cb 0.00 -3.03 -0.14 0.00 -0.00 0.00 0.00 29.99 26.82 2wg4 n HIS 315 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2wg4 h ASP 316 N 4.22 0.82 -0.40 0.41 3.58 -1.35 -3.49 116.42 120.20 2wg4 h ASP 316 Ca 0.00 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.59 2wg4 h ASP 316 Cb 0.00 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.79 2wg4 h ASP 316 CO 0.00 1.61 0.00 0.00 -2.88 0.00 0.00 179.24 177.97 2wg4 n HIS 317 N -3.83 -0.40 -4.29 0.28 1.44 -1.09 -4.88 115.22 102.45 2wg4 n HIS 317 Ca -0.15 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.35 2wg4 n HIS 317 Cb 0.99 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.94 2wg4 n HIS 317 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2wg4 s ILE 318 N -2.46 0.72 -0.45 0.61 -1.09 0.34 -2.07 121.20 116.80 2wg4 s ILE 318 Ca 0.00 -0.23 -0.21 0.00 -2.23 0.00 0.00 60.65 57.98 2wg4 s ILE 318 Cb 0.00 -0.70 0.03 0.00 -1.58 0.00 0.00 42.46 40.21 2wg4 s ILE 318 CO 0.00 0.26 0.65 -0.22 -1.23 0.00 0.00 174.94 174.40 2wg4 s LEU 319 N 0.83 4.57 -0.10 2.97 0.20 0.89 -0.17 118.68 127.86 2wg4 s LEU 319 Ca -0.12 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.23 2wg4 s LEU 319 Cb -0.15 -2.68 -0.03 0.00 -0.43 0.00 0.00 46.19 42.90 2wg4 s LEU 319 CO 0.01 -0.81 0.03 -0.60 -0.29 0.00 0.00 176.35 174.69 2wg4 s ARG 320 N 2.82 3.12 -0.22 1.98 3.52 0.85 -0.31 118.95 130.73 2wg4 s ARG 320 Ca 0.21 -0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 2wg4 s ARG 320 Cb -0.15 -2.88 0.04 0.00 -1.56 0.00 0.00 34.95 30.40 2wg4 s ARG 320 CO 0.18 0.68 -0.14 0.08 -0.81 0.00 0.00 175.30 175.29 2wg4 s VAL 321 N -0.81 1.99 0.13 7.11 1.01 -0.05 -1.51 120.40 128.27 2wg4 s VAL 321 Ca 0.12 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.94 2wg4 s VAL 321 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2wg4 s VAL 321 CO 0.02 0.22 -0.16 0.68 0.00 0.00 0.00 175.10 175.86 2wg4 s VAL 322 N 1.25 1.49 -0.17 2.92 -7.23 -0.69 0.12 120.40 118.08 2wg4 s VAL 322 Ca -0.02 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 2wg4 s VAL 322 Cb -0.17 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2wg4 s VAL 322 CO -0.09 -0.36 0.10 -0.70 -0.31 0.00 0.00 175.10 173.74 2wg4 s GLU 323 N -2.63 3.92 0.46 4.82 2.12 0.23 -1.46 118.70 126.17 2wg4 s GLU 323 Ca 0.10 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.22 2wg4 s GLU 323 Cb -0.06 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2wg4 s GLU 323 CO 0.04 0.39 0.11 0.71 -0.54 0.00 0.00 175.26 175.97 2wg4 s TYR 324 N 0.07 2.20 -0.05 5.30 2.02 -0.50 -1.05 117.35 125.33 2wg4 s TYR 324 Ca 0.07 -0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 55.99 2wg4 s TYR 324 Cb -0.12 -1.79 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 2wg4 s TYR 324 CO 0.00 0.17 0.10 0.99 -1.57 0.00 0.00 175.55 175.24 2wg4 s THR 325 N -2.74 -0.10 0.52 -0.71 2.01 -1.26 -2.34 115.64 111.01 2wg4 s THR 325 Ca 0.27 0.26 -0.22 0.00 0.31 0.00 0.00 61.69 62.30 2wg4 s THR 325 Cb 0.04 -0.18 -0.07 0.00 0.01 0.00 0.00 72.50 72.30 2wg4 s THR 325 CO 0.15 0.11 1.23 0.55 -0.69 0.00 0.00 174.62 175.96 2wg4 n VAL 326 N 4.55 3.38 -1.65 3.82 3.14 -0.93 -1.75 118.33 128.89 2wg4 n VAL 326 Ca -0.20 -0.50 -0.47 0.00 -2.96 0.00 0.00 64.34 60.21 2wg4 n VAL 326 Cb 0.51 -1.49 -0.04 0.00 -1.06 0.00 0.00 33.84 31.75 2wg4 n VAL 326 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2wg4 n SER 327 N -0.53 2.60 -0.05 6.55 2.88 -0.17 -4.52 113.62 120.37 2wg4 n SER 327 Ca 0.10 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2wg4 n SER 327 Cb 0.43 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2wg4 n SER 327 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2wg4 n ARG 328 N 2.80 0.95 -0.05 -1.46 1.85 -1.26 -2.94 116.66 116.55 2wg4 n ARG 328 Ca 0.16 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.94 2wg4 n ARG 328 Cb 0.27 -1.05 -0.04 0.00 -1.05 0.00 0.00 32.46 30.59 2wg4 n ARG 328 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2wg4 n LYS 329 N -0.45 0.23 -3.85 2.89 3.00 -1.26 -4.62 118.16 114.10 2wg4 n LYS 329 Ca 0.00 0.05 -0.28 0.00 -0.00 0.00 0.00 58.31 58.09 2wg4 n LYS 329 Cb 0.02 -1.17 -0.16 0.00 0.00 0.00 0.00 35.03 33.72 2wg4 n LYS 329 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2wg4 s ASN 330 N -4.93 2.80 0.27 3.14 3.84 -1.15 -4.97 114.94 113.93 2wg4 s ASN 330 Ca -0.12 -0.68 0.23 0.00 0.21 0.00 0.00 52.86 52.50 2wg4 s ASN 330 Cb 0.03 -0.82 1.01 0.00 -0.55 0.00 0.00 41.25 40.92 2wg4 s ASN 330 CO 0.21 -0.22 1.69 -2.65 -2.79 0.00 0.00 177.10 173.34 2wg4 n PRO 331 N 4.92 0.18 -0.80 0.43 -0.02 -1.26 -2.85 135.00 135.61 2wg4 n PRO 331 Ca -0.11 0.47 0.06 0.00 -2.02 0.00 0.00 63.50 61.90 2wg4 n PRO 331 Cb 0.48 -1.88 0.36 0.00 -0.02 0.00 0.00 33.50 32.43 2wg4 n PRO 331 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wg4 n HIS 332 N -2.23 1.82 -3.63 6.00 8.25 -1.26 -4.90 115.22 119.27 2wg4 n HIS 332 Ca 0.01 -0.82 -0.12 0.00 -0.26 0.00 0.00 57.72 56.53 2wg4 n HIS 332 Cb 0.19 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.74 2wg4 n HIS 332 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wg4 s GLN 333 N -2.82 0.75 0.05 -0.41 0.74 -1.13 -3.99 119.66 112.86 2wg4 s GLN 333 Ca 0.52 0.96 -0.18 0.00 0.05 0.00 0.00 55.36 56.70 2wg4 s GLN 333 Cb 0.40 0.34 -0.06 0.00 1.10 0.00 0.00 33.01 34.78 2wg4 s GLN 333 CO 0.14 -0.10 0.52 0.54 -0.55 0.00 0.00 175.29 175.84 2wg4 s VAL 334 N 0.55 4.82 -0.49 1.34 0.11 -0.64 -1.00 120.40 125.09 2wg4 s VAL 334 Ca -0.01 1.10 -0.28 0.00 -2.93 0.00 0.00 61.98 59.86 2wg4 s VAL 334 Cb -0.05 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 2wg4 s VAL 334 CO -0.03 0.56 1.53 -0.62 -3.33 0.00 0.00 175.10 173.20 2wg4 s ASP 335 N -1.11 6.05 0.64 3.54 3.68 -0.71 -4.67 116.67 124.08 2wg4 s ASP 335 Ca 0.28 0.60 0.41 0.00 2.13 0.00 0.00 52.55 55.97 2wg4 s ASP 335 Cb -0.19 -2.54 2.18 0.00 -1.45 0.00 0.00 42.92 40.93 2wg4 s ASP 335 CO 0.17 -1.71 2.29 -0.07 0.13 0.00 0.00 175.17 175.99 2wg4 h LEU 336 N 13.33 0.00 -0.80 -1.34 3.38 -1.96 -1.23 115.31 126.69 2wg4 h LEU 336 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wg4 h LEU 336 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2wg4 h LEU 336 CO 1.13 0.01 0.00 0.03 0.09 0.00 0.00 178.44 179.70 2wg4 h ARG 337 N 0.00 0.00 -0.09 1.13 3.08 -1.94 -3.05 114.38 113.51 2wg4 h ARG 337 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wg4 h ARG 337 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wg4 h ARG 337 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 2wg4 n THR 338 N -2.72 0.12 -1.71 2.04 -2.24 -0.46 -4.90 114.28 104.40 2wg4 n THR 338 Ca 0.02 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 2wg4 n THR 338 Cb 0.33 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 2wg4 n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wg4 n ALA 339 N -0.25 1.94 -3.44 6.98 0.00 -1.16 -4.38 120.51 120.19 2wg4 n ALA 339 Ca 0.03 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 2wg4 n ALA 339 Cb 0.08 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.03 2wg4 n ALA 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wg4 s ARG 340 N -0.28 0.27 0.12 0.00 3.52 -0.22 -4.97 118.95 117.40 2wg4 s ARG 340 Ca 0.67 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 2wg4 s ARG 340 Cb -0.57 -0.86 -0.07 0.00 -1.56 0.00 0.00 34.95 31.89 2wg4 s ARG 340 CO 0.47 -0.93 1.23 0.08 -0.81 0.00 0.00 175.30 175.34 2wg4 s VAL 341 N 2.32 3.72 -0.23 7.11 1.01 -1.26 -0.60 120.40 132.46 2wg4 s VAL 341 Ca 0.09 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.28 2wg4 s VAL 341 Cb -0.15 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 2wg4 s VAL 341 CO -0.28 0.15 -0.30 0.49 0.00 0.00 0.00 175.10 175.16 2wg4 n PHE 342 N 3.29 0.00 -4.17 5.22 0.99 0.12 -4.93 117.46 117.98 2wg4 n PHE 342 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.37 2wg4 n PHE 342 Cb 0.45 -0.84 -0.13 0.00 -1.00 0.00 0.00 39.48 37.96 2wg4 n PHE 342 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2wg4 s LEU 343 N -7.22 2.16 -0.37 4.37 1.02 -0.91 -4.98 118.68 112.74 2wg4 s LEU 343 Ca -0.33 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.44 2wg4 s LEU 343 Cb 0.12 -0.31 0.13 0.00 0.02 0.00 0.00 46.19 46.15 2wg4 s LEU 343 CO 0.42 -0.06 0.19 -1.61 0.02 0.00 0.00 176.35 175.31 2wg4 s GLU 344 N -1.02 0.82 -0.14 1.70 2.02 -1.26 -0.87 118.70 119.95 2wg4 s GLU 344 Ca -0.03 -1.47 -0.22 0.00 0.02 0.00 0.00 54.97 53.26 2wg4 s GLU 344 Cb -0.07 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 2wg4 s GLU 344 CO 0.00 -1.14 0.69 0.08 0.02 0.00 0.00 175.26 174.92 2wg4 s VAL 345 N 0.99 5.01 0.25 2.63 1.01 0.58 -4.87 120.40 125.99 2wg4 s VAL 345 Ca 0.16 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 2wg4 s VAL 345 Cb -0.22 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2wg4 s VAL 345 CO -0.07 0.15 1.20 0.00 0.00 0.00 0.00 175.10 176.38 2wg4 s ALA 346 N 1.53 3.45 -0.05 5.51 0.00 -1.26 -0.08 121.76 130.86 2wg4 s ALA 346 Ca 0.33 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.33 2wg4 s ALA 346 Cb -0.17 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2wg4 s ALA 346 CO 0.13 -0.37 -0.10 -1.21 0.00 0.00 0.00 175.76 174.20 2wg4 s GLU 347 N -0.91 1.38 -0.08 0.00 0.41 -0.88 -4.40 118.70 114.21 2wg4 s GLU 347 Ca 0.50 -0.35 0.14 0.00 -0.41 0.00 0.00 54.97 54.86 2wg4 s GLU 347 Cb -0.34 -1.20 -0.23 0.00 -1.78 0.00 0.00 34.13 30.58 2wg4 s GLU 347 CO 0.41 0.04 0.50 1.28 -0.49 0.00 0.00 175.26 177.01 2wg4 n LEU 348 N 3.68 0.62 0.00 1.80 4.77 -1.26 -1.30 117.00 125.31 2wg4 n LEU 348 Ca -0.22 0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 2wg4 n LEU 348 Cb 0.52 0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2wg4 n LEU 348 CO 0.25 0.40 -0.01 1.41 -1.33 0.00 0.00 177.39 178.11 2wg4 n HIS 349 N -2.94 0.03 -1.15 -1.77 8.25 -1.26 -4.14 115.22 112.23 2wg4 n HIS 349 Ca -0.21 -0.17 0.09 0.00 -0.26 0.00 0.00 57.72 57.17 2wg4 n HIS 349 Cb 1.07 -0.01 0.13 0.00 1.12 0.00 0.00 29.99 32.30 2wg4 n HIS 349 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wg4 n ARG 350 N -0.07 1.21 -4.31 -0.41 1.74 -1.26 -4.86 116.66 108.70 2wg4 n ARG 350 Ca -0.01 -2.51 -0.18 0.00 -0.77 0.00 0.00 57.85 54.38 2wg4 n ARG 350 Cb 0.04 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 2wg4 n ARG 350 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wg4 s LYS 351 N -2.71 1.23 -1.36 5.56 1.02 -1.26 -2.24 119.74 119.97 2wg4 s LYS 351 Ca 0.30 -1.49 -0.03 0.00 0.02 0.00 0.00 55.97 54.77 2wg4 s LYS 351 Cb 0.27 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 2wg4 s LYS 351 CO 0.02 0.18 0.42 0.72 -0.92 0.00 0.00 175.35 175.77 2wg4 n HIS 352 N -0.11 -1.51 0.01 3.18 8.25 -1.26 -4.16 115.22 119.62 2wg4 n HIS 352 Ca -0.10 0.36 -0.11 0.00 -0.26 0.00 0.00 57.72 57.61 2wg4 n HIS 352 Cb 0.59 -3.90 -0.08 0.00 1.12 0.00 0.00 29.99 27.72 2wg4 n HIS 352 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2wg4 h LEU 353 N -0.95 -0.10 0.00 2.41 3.38 -1.87 0.70 115.31 118.88 2wg4 h LEU 353 Ca -0.45 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2wg4 h LEU 353 Cb 1.31 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2wg4 h LEU 353 CO 0.49 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.17 2wg4 n GLY 354 N 0.92 1.10 0.00 0.83 0.00 -1.26 -1.73 105.19 105.05 2wg4 n GLY 354 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2wg4 n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg4 n GLY 355 N 0.00 1.21 3.69 -0.02 0.00 0.19 -4.88 105.19 105.37 2wg4 n GLY 355 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wg4 n GLY 355 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wg4 s GLN 356 N -0.08 4.27 0.08 1.61 0.74 -1.00 -4.24 119.66 121.04 2wg4 s GLN 356 Ca 0.00 2.00 0.00 0.00 0.05 0.00 0.00 55.36 57.41 2wg4 s GLN 356 Cb 0.00 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2wg4 s GLN 356 CO 0.00 -0.61 0.23 -0.51 -0.55 0.00 0.00 175.29 173.84 2wg4 s LEU 357 N 2.57 4.35 -0.20 3.68 1.43 -1.26 -1.69 118.68 127.57 2wg4 s LEU 357 Ca 0.65 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.69 2wg4 s LEU 357 Cb -0.32 -2.96 0.15 0.00 0.03 0.00 0.00 46.19 43.09 2wg4 s LEU 357 CO 0.27 0.15 1.17 -1.48 0.23 0.00 0.00 176.35 176.68 2wg4 s LEU 358 N -2.63 -0.19 0.20 1.79 0.05 -0.97 -4.75 118.68 112.17 2wg4 s LEU 358 Ca 0.35 0.13 0.06 0.00 0.05 0.00 0.00 54.13 54.73 2wg4 s LEU 358 Cb -0.13 1.49 -0.04 0.00 -2.05 0.00 0.00 46.19 45.46 2wg4 s LEU 358 CO 0.28 -0.24 0.11 -0.36 -0.55 0.00 0.00 176.35 175.60 2wg4 s PHE 359 N -1.67 3.04 0.38 3.48 0.08 -1.26 0.56 117.98 122.59 2wg4 s PHE 359 Ca 0.06 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.10 2wg4 s PHE 359 Cb -0.01 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 2wg4 s PHE 359 CO -0.04 0.53 0.14 0.20 -0.10 0.00 0.00 175.22 175.94 2wg4 s GLY 360 N -3.30 2.19 0.61 4.36 0.00 -1.02 -4.94 107.32 105.22 2wg4 s GLY 360 Ca 0.31 -2.02 0.34 0.00 0.00 0.00 0.00 44.72 43.35 2wg4 s GLY 360 CO 0.22 -1.88 2.04 -2.55 0.00 0.00 0.00 173.10 170.94 2wg4 h PRO 361 N 1.53 0.00 0.00 2.90 0.11 -1.92 0.39 132.00 135.02 2wg4 h PRO 361 Ca -0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 2wg4 h PRO 361 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2wg4 h PRO 361 CO 0.68 0.00 -0.22 0.38 -0.21 0.00 0.00 178.00 178.62 2wg4 h ASP 362 N 0.00 0.00 0.00 -2.05 -0.00 -1.97 -3.47 116.42 108.93 2wg4 h ASP 362 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2wg4 h ASP 362 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 2wg4 h ASP 362 CO 0.00 0.22 0.00 0.61 -0.00 0.00 0.00 179.24 180.07 2wg4 n GLY 363 N 0.79 2.04 3.81 7.15 0.00 0.14 -5.08 105.19 114.04 2wg4 n GLY 363 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wg4 n GLY 363 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg4 s PHE 364 N -2.47 3.02 -0.22 1.61 0.40 -1.26 -4.71 117.98 114.35 2wg4 s PHE 364 Ca 0.00 1.48 -0.15 0.00 -0.60 0.00 0.00 56.93 57.66 2wg4 s PHE 364 Cb 0.00 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.53 2wg4 s PHE 364 CO 0.00 -1.17 0.38 -1.17 0.70 0.00 0.00 175.22 173.96 2wg4 s LEU 365 N -4.90 4.13 0.05 -0.37 2.96 0.27 -2.43 118.68 118.38 2wg4 s LEU 365 Ca 0.62 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.94 2wg4 s LEU 365 Cb -0.15 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2wg4 s LEU 365 CO 0.44 -0.09 0.25 -0.31 -1.32 0.00 0.00 176.35 175.31 2wg4 s TYR 366 N 1.46 3.53 -0.27 5.38 2.02 0.19 -1.71 117.35 127.96 2wg4 s TYR 366 Ca 0.18 0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 57.25 2wg4 s TYR 366 Cb -0.15 -1.88 0.10 0.00 -0.40 0.00 0.00 41.96 39.63 2wg4 s TYR 366 CO 0.08 0.58 0.14 0.42 -1.57 0.00 0.00 175.55 175.20 2wg4 s ILE 367 N -1.45 -0.11 -0.20 2.71 1.01 -1.02 -2.29 121.20 119.87 2wg4 s ILE 367 Ca 0.33 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 2wg4 s ILE 367 Cb -0.13 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 2wg4 s ILE 367 CO 0.22 -0.61 0.92 -0.63 0.00 0.00 0.00 174.94 174.84 2wg4 s ILE 368 N 2.13 4.79 -0.09 2.92 1.09 -0.68 -2.20 121.20 129.17 2wg4 s ILE 368 Ca 0.08 1.81 0.03 0.00 -1.10 0.00 0.00 60.65 61.47 2wg4 s ILE 368 Cb -0.16 -4.21 0.01 0.00 -1.06 0.00 0.00 42.46 37.03 2wg4 s ILE 368 CO -0.31 -0.07 -0.18 -0.76 -0.10 0.00 0.00 174.94 173.52 2wg4 s LEU 369 N 2.62 1.87 1.07 2.97 1.43 -0.95 0.56 118.68 128.25 2wg4 s LEU 369 Ca 0.41 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 2wg4 s LEU 369 Cb -0.16 -1.13 0.23 0.00 0.03 0.00 0.00 46.19 45.15 2wg4 s LEU 369 CO 0.10 0.09 1.09 -0.83 0.23 0.00 0.00 176.35 177.04 2wg4 s GLY 370 N 0.54 1.56 0.16 -3.19 0.00 -0.71 -1.64 107.32 104.05 2wg4 s GLY 370 Ca -0.16 -0.53 0.24 0.00 0.00 0.00 0.00 44.72 44.27 2wg4 s GLY 370 CO 0.06 0.17 1.74 2.09 0.00 0.00 0.00 173.10 177.15 2wg4 n ASP 371 N -4.40 0.51 -0.20 1.64 5.75 0.15 0.09 116.55 120.09 2wg4 n ASP 371 Ca 0.07 0.58 -0.03 0.00 -0.01 0.00 0.00 54.79 55.41 2wg4 n ASP 371 Cb 0.58 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 2wg4 n ASP 371 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg4 n GLY 372 N 0.74 0.32 2.47 6.12 0.00 0.23 -1.90 105.19 113.17 2wg4 n GLY 372 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2wg4 n GLY 372 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wg4 n MET 373 N -0.05 -1.17 -2.49 1.61 2.81 -1.26 -4.38 117.12 112.20 2wg4 n MET 373 Ca -0.03 1.07 -0.40 0.00 -1.81 0.00 0.00 57.70 56.53 2wg4 n MET 373 Cb 0.44 -5.29 -0.03 0.00 -0.71 0.00 0.00 33.22 27.64 2wg4 n MET 373 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2wg4 s ILE 374 N -2.63 3.70 1.10 2.02 -1.09 -0.80 -5.00 121.20 118.50 2wg4 s ILE 374 Ca 0.00 0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.53 2wg4 s ILE 374 Cb 0.00 -4.81 0.25 0.00 -1.58 0.00 0.00 42.46 36.32 2wg4 s ILE 374 CO 0.00 -1.75 1.05 0.42 -1.23 0.00 0.00 174.94 173.43 2wg4 s THR 375 N 6.10 2.07 0.13 2.92 -4.23 -1.26 -4.83 115.64 116.54 2wg4 s THR 375 Ca 0.40 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.80 2wg4 s THR 375 Cb -0.08 -2.18 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 2wg4 s THR 375 CO 0.12 -0.03 1.59 0.25 -0.54 0.00 0.00 174.62 176.01 2wg4 h LEU 376 N -2.38 0.74 -0.70 4.79 5.85 -1.98 -2.68 115.31 118.94 2wg4 h LEU 376 Ca -0.58 -0.30 0.14 0.00 0.84 0.00 0.00 57.88 57.98 2wg4 h LEU 376 Cb 1.32 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 2wg4 h LEU 376 CO 0.51 0.85 0.21 0.44 -0.34 0.00 0.00 178.44 180.12 2wg4 h ASP 377 N 0.60 0.11 0.13 1.25 5.19 -1.97 -0.07 116.42 121.66 2wg4 h ASP 377 Ca 0.13 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.68 2wg4 h ASP 377 Cb 0.46 0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.08 2wg4 h ASP 377 CO 0.02 0.03 -0.30 0.44 -3.12 0.00 0.00 179.24 176.31 2wg4 h ASP 378 N 0.33 -0.85 0.21 6.45 3.32 -1.83 -1.44 116.42 122.61 2wg4 h ASP 378 Ca 0.38 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.53 2wg4 h ASP 378 Cb 0.60 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2wg4 h ASP 378 CO -0.44 -0.39 0.00 0.23 -1.72 0.00 0.00 179.24 176.93 2wg4 n MET 379 N -5.40 0.39 0.00 3.56 2.81 -0.75 -2.01 117.12 115.72 2wg4 n MET 379 Ca -0.07 0.07 0.08 0.00 -1.81 0.00 0.00 57.70 55.98 2wg4 n MET 379 Cb 0.31 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.25 2wg4 n MET 379 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wg4 n GLU 380 N -1.18 1.43 -0.13 0.03 2.13 -0.11 -4.50 120.64 118.31 2wg4 n GLU 380 Ca 0.11 -0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2wg4 n GLU 380 Cb 0.11 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2wg4 n GLU 380 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2wg4 n GLU 381 N -1.17 0.03 -4.60 5.31 0.28 -0.96 -5.05 120.64 114.47 2wg4 n GLU 381 Ca 0.04 -0.64 -0.22 0.00 -0.16 0.00 0.00 57.16 56.17 2wg4 n GLU 381 Cb 0.28 -0.51 -0.15 0.00 1.43 0.00 0.00 31.44 32.50 2wg4 n GLU 381 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2wg4 s MET 382 N -0.01 1.16 0.16 3.44 -1.94 -0.85 -5.06 119.30 116.19 2wg4 s MET 382 Ca 0.00 -0.64 -0.02 0.00 -1.71 0.00 0.00 55.69 53.33 2wg4 s MET 382 Cb 0.00 -1.15 -0.05 0.00 2.01 0.00 0.00 34.83 35.64 2wg4 s MET 382 CO 0.00 0.31 0.35 -0.51 -0.01 0.00 0.00 175.02 175.16 2wg4 s ASP 383 N -0.64 6.41 -0.71 3.03 1.01 -1.26 -4.49 116.67 120.02 2wg4 s ASP 383 Ca 0.05 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.73 2wg4 s ASP 383 Cb -0.07 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.84 2wg4 s ASP 383 CO 0.00 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.01 2wg4 n GLY 384 N -0.29 0.30 3.85 0.21 0.00 -1.26 -5.02 105.19 102.98 2wg4 n GLY 384 Ca -0.04 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2wg4 n GLY 384 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wg4 s LEU 385 N -2.10 4.16 0.11 0.99 1.43 -1.26 -4.68 118.68 117.34 2wg4 s LEU 385 Ca 0.00 1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 53.98 2wg4 s LEU 385 Cb 0.00 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 2wg4 s LEU 385 CO 0.00 -0.09 1.43 -1.28 0.23 0.00 0.00 176.35 176.63 2wg4 h SER 386 N 2.64 -1.56 0.00 2.29 0.87 -1.93 -3.45 113.55 112.40 2wg4 h SER 386 Ca -0.48 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2wg4 h SER 386 Cb 1.18 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2wg4 h SER 386 CO 0.67 -0.26 0.00 -0.67 -0.53 0.00 0.00 176.83 176.04 2wg4 n ASP 387 N -4.78 -2.48 -0.00 6.23 2.03 -1.26 -4.80 116.55 111.49 2wg4 n ASP 387 Ca -0.01 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.34 2wg4 n ASP 387 Cb 0.24 -1.26 -0.06 0.00 -0.72 0.00 0.00 41.12 39.32 2wg4 n ASP 387 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2wg4 n PHE 388 N -2.41 0.00 -1.78 -0.67 3.72 -1.26 -5.03 117.46 110.03 2wg4 n PHE 388 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 2wg4 n PHE 388 Cb 0.10 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.60 2wg4 n PHE 388 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wg4 s THR 389 N -2.22 2.53 -0.90 4.37 -4.23 -1.26 -3.45 115.64 110.48 2wg4 s THR 389 Ca -0.00 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2wg4 s THR 389 Cb 0.06 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2wg4 s THR 389 CO 0.36 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 2wg4 n GLY 390 N 0.41 0.92 3.36 3.99 0.00 0.11 -4.80 105.19 109.18 2wg4 n GLY 390 Ca 0.13 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2wg4 n GLY 390 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wg4 s SER 391 N -2.87 0.05 -0.15 1.61 1.04 -0.95 -1.71 113.70 110.73 2wg4 s SER 391 Ca 0.00 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.24 2wg4 s SER 391 Cb 0.00 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2wg4 s SER 391 CO 0.00 -0.95 0.08 -0.69 0.98 0.00 0.00 173.24 172.67 2wg4 s VAL 392 N -4.07 5.01 0.08 5.02 1.01 0.26 -2.24 120.40 125.47 2wg4 s VAL 392 Ca 0.28 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2wg4 s VAL 392 Cb 0.04 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2wg4 s VAL 392 CO 0.08 0.54 -0.02 -0.76 0.00 0.00 0.00 175.10 174.94 2wg4 s LEU 393 N -0.31 3.38 -0.20 3.92 1.43 -0.93 -0.38 118.68 125.59 2wg4 s LEU 393 Ca 0.09 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2wg4 s LEU 393 Cb -0.12 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.05 2wg4 s LEU 393 CO 0.01 0.19 -0.07 -0.13 0.23 0.00 0.00 176.35 176.58 2wg4 s ARG 394 N -2.19 1.69 -0.07 1.70 1.81 -0.10 -2.43 118.95 119.37 2wg4 s ARG 394 Ca 0.24 -0.80 0.03 0.00 -1.72 0.00 0.00 55.73 53.48 2wg4 s ARG 394 Cb -0.12 -2.36 0.01 0.00 -0.45 0.00 0.00 34.95 32.03 2wg4 s ARG 394 CO 0.16 -0.50 -0.17 -0.51 -0.68 0.00 0.00 175.30 173.61 2wg4 s LEU 395 N 1.47 1.83 -0.61 2.53 1.43 -0.69 -4.65 118.68 119.99 2wg4 s LEU 395 Ca -0.02 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 2wg4 s LEU 395 Cb -0.17 -1.03 0.07 0.00 0.03 0.00 0.00 46.19 45.09 2wg4 s LEU 395 CO -0.07 0.10 0.86 -0.62 0.23 0.00 0.00 176.35 176.84 2wg4 s ASP 396 N 0.43 6.21 0.22 2.29 2.15 -0.35 -0.57 116.67 127.06 2wg4 s ASP 396 Ca -0.14 -0.97 0.25 0.00 0.43 0.00 0.00 52.55 52.12 2wg4 s ASP 396 Cb -0.16 -2.38 0.56 0.00 -0.30 0.00 0.00 42.92 40.65 2wg4 s ASP 396 CO 0.05 -1.26 1.58 -0.37 -0.17 0.00 0.00 175.17 175.00 2wg4 h VAL 397 N 5.95 0.00 -1.78 1.11 -1.51 -1.87 -1.74 116.25 116.42 2wg4 h VAL 397 Ca -0.28 -0.59 -0.71 0.00 -1.23 0.00 0.00 66.70 63.89 2wg4 h VAL 397 Cb 1.08 1.45 -0.15 0.00 -2.13 0.00 0.00 31.29 31.54 2wg4 h VAL 397 CO 1.12 0.00 1.53 -1.81 -1.23 0.00 0.00 177.57 177.18 2wg4 s ASP 398 N -4.75 6.93 0.08 4.19 1.01 -1.26 -4.35 116.67 118.51 2wg4 s ASP 398 Ca 0.08 -2.65 0.08 0.00 0.71 0.00 0.00 52.55 50.76 2wg4 s ASP 398 Cb 0.11 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2wg4 s ASP 398 CO 0.65 -0.94 -0.20 0.42 0.21 0.00 0.00 175.17 175.31 2wg4 s THR 399 N 2.61 1.65 -0.34 -1.27 -4.23 -1.26 -4.94 115.64 107.85 2wg4 s THR 399 Ca 0.45 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.66 2wg4 s THR 399 Cb -0.01 -1.47 0.67 0.00 1.34 0.00 0.00 72.50 73.03 2wg4 s THR 399 CO 0.01 0.03 1.76 0.47 -0.54 0.00 0.00 174.62 176.35 2wg4 n ASP 400 N 1.41 4.10 -4.84 3.99 8.00 -1.26 -4.53 116.55 123.42 2wg4 n ASP 400 Ca -0.19 -3.40 -0.32 0.00 0.71 0.00 0.00 54.79 51.59 2wg4 n ASP 400 Cb 0.54 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 2wg4 n ASP 400 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2wg4 s MET 401 N -3.11 3.19 -0.05 -1.24 1.75 -1.26 -5.03 119.30 113.55 2wg4 s MET 401 Ca 0.53 -0.49 0.04 0.00 -1.25 0.00 0.00 55.69 54.52 2wg4 s MET 401 Cb 0.44 -2.92 -0.06 0.00 2.84 0.00 0.00 34.83 35.13 2wg4 s MET 401 CO 0.10 0.62 0.01 0.00 -0.65 0.00 0.00 175.02 175.10 2wg4 n ASN 403 N -2.25 0.00 -4.01 0.00 6.94 -1.26 -4.68 115.26 110.00 2wg4 n ASN 403 Ca -0.09 0.44 -0.11 0.00 -0.02 0.00 0.00 54.58 54.80 2wg4 n ASN 403 Cb 0.66 -0.46 -0.12 0.00 -2.36 0.00 0.00 39.78 37.50 2wg4 n ASN 403 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2wg4 s VAL 404 N -2.92 0.31 0.42 3.53 -7.23 -1.26 -5.04 120.40 108.21 2wg4 s VAL 404 Ca 0.04 -0.88 0.18 0.00 -1.81 0.00 0.00 61.98 59.52 2wg4 s VAL 404 Cb 0.05 -0.40 0.20 0.00 0.56 0.00 0.00 36.38 36.79 2wg4 s VAL 404 CO 0.13 -0.38 1.99 1.55 -0.31 0.00 0.00 175.10 178.08 2wg4 h PRO 405 N 4.77 0.00 -3.02 4.82 0.13 -1.91 -3.46 132.00 133.33 2wg4 h PRO 405 Ca -0.33 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.87 2wg4 h PRO 405 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2wg4 h PRO 405 CO 0.42 0.20 0.22 1.52 -0.23 0.00 0.00 178.00 180.13 2wg4 s TYR 406 N -4.41 -0.17 0.44 1.56 -0.85 -1.26 -4.96 117.35 107.70 2wg4 s TYR 406 Ca -0.03 -0.28 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 2wg4 s TYR 406 Cb 0.15 0.69 -0.05 0.00 0.38 0.00 0.00 41.96 43.13 2wg4 s TYR 406 CO 0.67 -1.23 0.06 -1.54 -1.52 0.00 0.00 175.55 171.98 2wg4 s SER 407 N -2.92 4.07 -0.13 -0.18 1.04 -0.65 -5.00 113.70 109.93 2wg4 s SER 407 Ca 0.11 -1.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.15 2wg4 s SER 407 Cb -0.06 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2wg4 s SER 407 CO 0.07 -0.60 -0.08 -0.63 0.98 0.00 0.00 173.24 172.98 2wg4 s ILE 408 N -2.73 3.50 0.40 -1.02 1.09 -1.26 -1.21 121.20 119.97 2wg4 s ILE 408 Ca 0.29 -0.51 -0.27 0.00 -1.10 0.00 0.00 60.65 59.06 2wg4 s ILE 408 Cb 0.06 -2.49 -0.10 0.00 -1.06 0.00 0.00 42.46 38.87 2wg4 s ILE 408 CO 0.15 0.53 1.45 -2.84 -0.10 0.00 0.00 174.94 174.12 2wg4 s PRO 409 N 0.13 3.97 0.42 2.79 0.02 -1.26 -4.90 135.00 136.18 2wg4 s PRO 409 Ca -0.04 2.48 0.15 0.00 0.02 0.00 0.00 61.00 63.61 2wg4 s PRO 409 Cb -0.14 -2.86 0.93 0.00 0.02 0.00 0.00 34.50 32.45 2wg4 s PRO 409 CO 0.04 -0.61 1.93 0.00 -0.33 0.00 0.00 177.00 178.03 2wg4 h ARG 410 N 2.77 0.00 -0.94 5.54 -0.00 -1.99 -2.00 114.38 117.77 2wg4 h ARG 410 Ca -0.51 0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.08 2wg4 h ARG 410 Cb 1.25 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.15 2wg4 h ARG 410 CO 0.63 0.25 0.60 0.77 0.00 0.00 0.00 179.97 182.22 2wg4 h SER 411 N 0.00 0.85 -2.50 7.04 0.02 -1.90 -3.42 113.55 113.65 2wg4 h SER 411 Ca -0.00 0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 60.38 2wg4 h SER 411 Cb 0.46 -0.14 0.13 0.00 0.14 0.00 0.00 62.40 62.99 2wg4 h SER 411 CO 0.03 0.48 -0.12 0.59 -1.14 0.00 0.00 176.83 176.68 2wg4 n ASN 412 N -4.56 0.24 0.10 3.07 4.13 -0.75 0.37 115.26 117.85 2wg4 n ASN 412 Ca 0.17 1.02 -0.13 0.00 1.68 0.00 0.00 54.58 57.32 2wg4 n ASN 412 Cb 0.33 -1.21 -0.08 0.00 -1.54 0.00 0.00 39.78 37.27 2wg4 n ASN 412 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2wg4 h PRO 413 N 1.30 -0.19 -0.89 3.52 0.11 -1.80 -3.13 132.00 130.92 2wg4 h PRO 413 Ca -0.40 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.53 2wg4 h PRO 413 Cb 1.37 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.41 2wg4 h PRO 413 CO 0.55 -0.03 0.24 0.72 -0.21 0.00 0.00 178.00 179.27 2wg4 n HIS 414 N -5.12 1.69 -2.21 0.65 8.25 -1.26 -4.68 115.22 112.53 2wg4 n HIS 414 Ca -0.09 -0.98 -0.41 0.00 -0.26 0.00 0.00 57.72 55.99 2wg4 n HIS 414 Cb 0.14 -0.55 -0.03 0.00 1.12 0.00 0.00 29.99 30.67 2wg4 n HIS 414 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wg4 s PHE 415 N -2.11 3.24 -1.54 4.41 5.36 -1.18 -2.79 117.98 123.37 2wg4 s PHE 415 Ca 0.36 1.28 -0.05 0.00 -0.96 0.00 0.00 56.93 57.55 2wg4 s PHE 415 Cb 0.29 -3.60 0.01 0.00 -0.34 0.00 0.00 43.02 39.37 2wg4 s PHE 415 CO 0.08 -1.82 0.63 -1.71 -1.46 0.00 0.00 175.22 170.95 2wg4 n ASN 416 N 2.22 -6.13 -4.95 6.13 2.85 -1.26 -4.99 115.26 109.13 2wg4 n ASN 416 Ca 0.05 -0.30 -0.23 0.00 -0.11 0.00 0.00 54.58 53.99 2wg4 n ASN 416 Cb 0.43 -4.93 -0.01 0.00 1.24 0.00 0.00 39.78 36.50 2wg4 n ASN 416 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2wg4 s SER 417 N -2.74 6.23 0.00 1.20 0.15 -1.12 -5.02 113.70 112.40 2wg4 s SER 417 Ca 0.31 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2wg4 s SER 417 Cb -0.14 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2wg4 s SER 417 CO 0.39 -0.29 0.32 1.07 1.20 0.00 0.00 173.24 175.93 2wg4 n THR 418 N -1.71 0.00 -0.02 6.45 5.66 -1.26 -4.73 114.28 118.67 2wg4 n THR 418 Ca -0.05 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 2wg4 n THR 418 Cb 0.57 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.39 2wg4 n THR 418 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2wg4 n ASN 419 N -0.30 0.05 -4.06 1.09 5.03 -1.26 -5.08 115.26 110.73 2wg4 n ASN 419 Ca 0.00 -0.38 -0.11 0.00 0.87 0.00 0.00 54.58 54.95 2wg4 n ASN 419 Cb 0.01 0.63 -0.11 0.00 -1.02 0.00 0.00 39.78 39.29 2wg4 n ASN 419 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2wg4 s GLN 420 N -0.63 0.52 -0.13 3.52 -0.21 -1.26 -5.12 119.66 116.36 2wg4 s GLN 420 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 55.36 54.26 2wg4 s GLN 420 Cb 0.00 -0.15 -0.05 0.00 1.00 0.00 0.00 33.01 33.81 2wg4 s GLN 420 CO 0.00 0.01 1.73 -2.14 -2.12 0.00 0.00 175.29 172.77 2wg4 s PRO 421 N -2.01 3.91 0.58 2.91 0.02 -1.26 -4.75 135.00 134.39 2wg4 s PRO 421 Ca -0.07 2.00 0.28 0.00 0.02 0.00 0.00 61.00 63.23 2wg4 s PRO 421 Cb -0.07 -4.07 1.73 0.00 0.02 0.00 0.00 34.50 32.11 2wg4 s PRO 421 CO -0.01 -1.18 2.20 -1.35 -0.33 0.00 0.00 177.00 176.33 2wg4 h PRO 422 N 10.73 0.00 -0.47 5.54 0.11 -1.94 -2.40 132.00 143.57 2wg4 h PRO 422 Ca -0.38 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 2wg4 h PRO 422 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2wg4 h PRO 422 CO 0.97 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 179.63 2wg4 h GLU 423 N 0.00 0.81 -6.48 1.05 3.07 -1.89 -3.43 114.58 107.72 2wg4 h GLU 423 Ca 0.03 -0.25 -0.53 0.00 -0.50 0.00 0.00 59.36 58.11 2wg4 h GLU 423 Cb 0.15 -0.08 0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2wg4 h GLU 423 CO -0.00 0.85 0.93 0.08 -1.40 0.00 0.00 179.01 179.47 2wg4 s VAL 424 N -4.89 3.06 -0.22 3.13 1.01 -0.91 -0.93 120.40 120.66 2wg4 s VAL 424 Ca -0.10 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2wg4 s VAL 424 Cb 0.14 -3.38 -0.16 0.00 0.00 0.00 0.00 36.38 32.98 2wg4 s VAL 424 CO 0.82 0.01 -0.17 0.33 0.00 0.00 0.00 175.10 176.09 2wg4 n PHE 425 N 5.07 0.00 -3.54 5.22 7.35 0.48 -4.53 117.46 127.51 2wg4 n PHE 425 Ca 0.15 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.75 2wg4 n PHE 425 Cb 0.41 -0.87 -0.03 0.00 0.35 0.00 0.00 39.48 39.34 2wg4 n PHE 425 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wg4 s ALA 426 N -2.45 -1.91 0.22 3.13 0.00 -1.06 -4.05 121.76 115.65 2wg4 s ALA 426 Ca -0.28 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.00 2wg4 s ALA 426 Cb 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2wg4 s ALA 426 CO 0.54 -0.54 0.08 -3.38 0.00 0.00 0.00 175.76 172.46 2wg4 s HIS 427 N -2.33 1.35 0.00 0.00 -3.43 -1.26 0.89 115.29 110.51 2wg4 s HIS 427 Ca 0.04 -1.18 0.00 0.00 -0.80 0.00 0.00 55.06 53.11 2wg4 s HIS 427 Cb -0.01 -0.76 0.00 0.00 -1.43 0.00 0.00 32.58 30.38 2wg4 s HIS 427 CO -0.05 -0.37 0.00 0.41 -2.00 0.00 0.00 174.74 172.73 2wg4 n GLY 428 N -0.35 -0.21 3.98 -1.38 0.00 -0.86 -4.62 105.19 101.73 2wg4 n GLY 428 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2wg4 n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wg4 s LEU 429 N 0.00 3.51 0.00 0.99 1.43 -0.69 -5.05 118.68 118.86 2wg4 s LEU 429 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2wg4 s LEU 429 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2wg4 s LEU 429 CO 0.00 -0.89 0.00 1.41 0.23 0.00 0.00 176.35 177.10 2wg4 n HIS 430 N -2.12 -0.48 -3.34 0.29 8.25 -1.26 -4.18 115.22 112.38 2wg4 n HIS 430 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.26 2wg4 n HIS 430 Cb 0.59 0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.88 2wg4 n HIS 430 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wg4 n ASP 431 N -1.79 1.31 -4.75 0.41 4.64 -1.26 -0.68 116.55 114.43 2wg4 n ASP 431 Ca 0.00 -2.90 -0.40 0.00 -1.38 0.00 0.00 54.79 50.11 2wg4 n ASP 431 Cb 0.00 -0.65 -0.05 0.00 -1.04 0.00 0.00 41.12 39.38 2wg4 n ASP 431 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 2wg4 s PRO 432 N -1.40 4.76 0.00 -0.67 0.02 -1.26 -3.57 135.00 132.87 2wg4 s PRO 432 Ca 0.35 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2wg4 s PRO 432 Cb 0.13 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2wg4 s PRO 432 CO -0.10 0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.34 2wg4 n GLY 433 N 1.56 0.78 3.58 0.52 0.00 -1.02 -4.75 105.19 105.85 2wg4 n GLY 433 Ca -0.01 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2wg4 n GLY 433 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wg4 s ARG 434 N 0.00 3.77 -0.05 1.61 3.52 -1.20 -4.92 118.95 121.69 2wg4 s ARG 434 Ca 0.00 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 2wg4 s ARG 434 Cb 0.00 -3.77 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 2wg4 s ARG 434 CO 0.00 -0.61 1.01 0.00 -0.81 0.00 0.00 175.30 174.90 2wg4 s ALA 436 N 1.52 3.61 -0.51 0.00 0.00 0.30 -4.81 121.76 121.88 2wg4 s ALA 436 Ca 0.51 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 2wg4 s ALA 436 Cb -0.20 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.51 2wg4 s ALA 436 CO 0.23 -0.65 0.30 0.08 0.00 0.00 0.00 175.76 175.72 2wg4 s VAL 437 N 0.54 3.27 -0.52 0.00 1.01 -1.26 -0.90 120.40 122.53 2wg4 s VAL 437 Ca 0.62 -2.67 -0.29 0.00 0.00 0.00 0.00 61.98 59.65 2wg4 s VAL 437 Cb -0.39 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2wg4 s VAL 437 CO 0.36 -0.78 1.16 -0.62 0.00 0.00 0.00 175.10 175.22 2wg4 s ASP 438 N 0.93 6.55 0.00 3.32 3.68 -0.44 -4.71 116.67 126.00 2wg4 s ASP 438 Ca 0.14 0.31 0.26 0.00 2.13 0.00 0.00 52.55 55.38 2wg4 s ASP 438 Cb -0.22 -2.55 0.63 0.00 -1.45 0.00 0.00 42.92 39.34 2wg4 s ASP 438 CO -0.04 -1.35 1.49 0.54 0.13 0.00 0.00 175.17 175.94 2wg4 n ARG 439 N 8.11 0.43 -3.21 4.34 1.74 -1.26 -1.89 116.66 124.92 2wg4 n ARG 439 Ca 0.10 -0.25 -0.25 0.00 -0.77 0.00 0.00 57.85 56.68 2wg4 n ARG 439 Cb 0.49 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 2wg4 n ARG 439 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2wg4 n HIS 440 N -1.06 2.20 -1.65 -1.55 8.25 -1.26 -4.71 115.22 115.43 2wg4 n HIS 440 Ca 0.09 -3.92 -0.42 0.00 -0.26 0.00 0.00 57.72 53.21 2wg4 n HIS 440 Cb 0.34 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2wg4 n HIS 440 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2wg4 n PRO 441 N 0.62 1.69 0.00 -0.41 -0.02 -1.26 -4.82 135.00 130.80 2wg4 n PRO 441 Ca 0.27 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.39 2wg4 n PRO 441 Cb 0.48 -2.17 0.20 0.00 -0.02 0.00 0.00 33.50 31.98 2wg4 n PRO 441 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wg4 n THR 442 N -0.10 0.80 -2.69 3.45 -2.24 -1.26 -4.71 114.28 107.53 2wg4 n THR 442 Ca 0.08 0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.81 2wg4 n THR 442 Cb 0.37 -1.07 0.02 0.00 -2.10 0.00 0.00 70.33 67.55 2wg4 n THR 442 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wg4 s ASP 443 N -2.54 5.68 -0.16 3.42 -0.00 -1.26 -5.00 116.67 116.81 2wg4 s ASP 443 Ca 0.08 0.45 -0.12 0.00 -0.00 0.00 0.00 52.55 52.95 2wg4 s ASP 443 Cb 0.05 -1.56 -0.23 0.00 -0.00 0.00 0.00 42.92 41.18 2wg4 s ASP 443 CO 0.11 -0.90 0.27 0.00 -0.00 0.00 0.00 175.17 174.66 2wg4 n ILE 444 N -2.33 1.68 0.01 0.77 0.00 -1.26 -4.48 119.36 113.75 2wg4 n ILE 444 Ca 0.03 -0.41 -0.18 0.00 0.00 0.00 0.00 62.75 62.20 2wg4 n ILE 444 Cb 0.58 -1.85 -0.11 0.00 0.00 0.00 0.00 39.64 38.26 2wg4 n ILE 444 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2wg4 h ASN 445 N -0.37 0.54 -2.99 9.51 2.35 -1.96 -3.43 115.58 119.23 2wg4 h ASN 445 Ca -0.41 -0.77 -0.57 0.00 -0.55 0.00 0.00 56.30 54.00 2wg4 h ASN 445 Cb 1.74 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.91 2wg4 h ASN 445 CO -0.05 1.24 1.07 -0.63 -1.65 0.00 0.00 177.43 177.41 2wg4 s ILE 446 N -3.17 3.89 -0.96 2.81 1.09 -1.26 -4.52 121.20 119.08 2wg4 s ILE 446 Ca -0.13 0.98 0.22 0.00 -1.10 0.00 0.00 60.65 60.63 2wg4 s ILE 446 Cb 0.03 -3.96 -0.15 0.00 -1.06 0.00 0.00 42.46 37.32 2wg4 s ILE 446 CO 0.83 -0.44 1.06 0.59 -0.10 0.00 0.00 174.94 176.87 2wg4 n ASN 447 N 8.29 0.81 -3.63 3.58 5.03 0.31 -4.45 115.26 125.20 2wg4 n ASN 447 Ca 0.17 -0.71 -0.13 0.00 0.87 0.00 0.00 54.58 54.79 2wg4 n ASN 447 Cb 0.46 0.78 -0.07 0.00 -1.02 0.00 0.00 39.78 39.93 2wg4 n ASN 447 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2wg4 s LEU 448 N -3.08 -0.70 -0.01 3.41 2.96 -0.94 -4.58 118.68 115.74 2wg4 s LEU 448 Ca 0.08 1.35 -0.00 0.00 -0.22 0.00 0.00 54.13 55.34 2wg4 s LEU 448 Cb 0.16 2.36 0.01 0.00 0.50 0.00 0.00 46.19 49.22 2wg4 s LEU 448 CO 0.81 -0.23 0.01 0.28 -1.32 0.00 0.00 176.35 175.90 2wg4 s THR 449 N 0.41 -0.02 -0.15 3.68 -1.32 -0.79 -0.39 115.64 117.06 2wg4 s THR 449 Ca 0.00 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.56 2wg4 s THR 449 Cb -0.05 -0.03 0.01 0.00 -1.51 0.00 0.00 72.50 70.92 2wg4 s THR 449 CO -0.01 0.03 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.60 2wg4 s ILE 450 N 0.31 2.21 -0.18 5.08 1.01 -0.20 -1.33 121.20 128.10 2wg4 s ILE 450 Ca -0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2wg4 s ILE 450 Cb -0.04 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2wg4 s ILE 450 CO -0.01 0.54 -0.08 -0.22 0.00 0.00 0.00 174.94 175.17 2wg4 s LEU 451 N 0.91 2.80 0.28 2.97 0.20 -0.08 -0.33 118.68 125.42 2wg4 s LEU 451 Ca -0.04 -0.38 0.11 0.00 0.69 0.00 0.00 54.13 54.51 2wg4 s LEU 451 Cb -0.15 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 43.88 2wg4 s LEU 451 CO -0.03 0.05 -0.12 0.00 -0.29 0.00 0.00 176.35 175.96 2wg4 s SER 453 N -3.58 3.70 0.42 0.00 1.04 -1.26 -1.90 113.70 112.11 2wg4 s SER 453 Ca 0.31 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2wg4 s SER 453 Cb -0.05 -1.22 -0.01 0.00 0.10 0.00 0.00 66.02 64.84 2wg4 s SER 453 CO 0.17 -0.20 0.63 -1.81 0.98 0.00 0.00 173.24 173.01 2wg4 s ASP 454 N 1.38 5.93 0.00 7.02 1.01 0.00 -2.45 116.67 129.56 2wg4 s ASP 454 Ca -0.04 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.47 2wg4 s ASP 454 Cb -0.18 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.17 2wg4 s ASP 454 CO -0.07 -0.60 0.00 -1.54 0.21 0.00 0.00 175.17 173.17 2wg4 n SER 455 N -1.98 0.68 0.00 0.27 3.41 -1.23 -3.12 113.62 111.65 2wg4 n SER 455 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wg4 n SER 455 Cb 0.57 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2wg4 n SER 455 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wg4 n ASN 456 N -0.55 0.00 -0.87 4.04 5.15 -1.26 -4.16 115.26 117.60 2wg4 n ASN 456 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 2wg4 n ASN 456 Cb 0.05 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 2wg4 n ASN 456 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2wg4 n ARG 460 N 0.00 -1.59 0.00 1.20 1.85 -1.26 -5.11 116.66 111.75 2wg4 n ARG 460 Ca 0.00 1.11 0.00 0.00 -1.00 0.00 0.00 57.85 57.96 2wg4 n ARG 460 Cb 0.00 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.38 2wg4 n ARG 460 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2wg4 n SER 461 N -4.30 0.00 -1.03 2.89 3.41 -1.26 -5.12 113.62 108.21 2wg4 n SER 461 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2wg4 n SER 461 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2wg4 n SER 461 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wg4 n SER 462 N 0.00 -0.03 -4.07 4.04 3.41 -1.18 -5.00 113.62 110.78 2wg4 n SER 462 Ca 0.00 -1.02 -0.19 0.00 -0.26 0.00 0.00 58.87 57.40 2wg4 n SER 462 Cb 0.00 0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 2wg4 n SER 462 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wg4 s ALA 463 N -1.04 0.90 -0.01 7.33 0.00 -1.03 -0.82 121.76 127.11 2wg4 s ALA 463 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2wg4 s ALA 463 Cb -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2wg4 s ALA 463 CO 0.00 0.19 -0.05 -0.98 0.00 0.00 0.00 175.76 174.92 2wg4 s ARG 464 N -0.60 0.42 0.01 0.00 1.70 -0.80 -2.06 118.95 117.63 2wg4 s ARG 464 Ca 0.02 -0.18 0.05 0.00 -0.47 0.00 0.00 55.73 55.15 2wg4 s ARG 464 Cb -0.05 -0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 33.90 2wg4 s ARG 464 CO 0.00 0.10 -0.16 -1.50 -1.08 0.00 0.00 175.30 172.67 2wg4 s ILE 465 N -0.08 1.24 -0.19 4.99 -1.16 -0.61 -0.84 121.20 124.53 2wg4 s ILE 465 Ca 0.02 -0.84 -0.01 0.00 -0.51 0.00 0.00 60.65 59.30 2wg4 s ILE 465 Cb -0.02 -1.07 0.00 0.00 0.61 0.00 0.00 42.46 41.98 2wg4 s ILE 465 CO -0.00 0.21 -0.12 -0.22 -2.81 0.00 0.00 174.94 171.99 2wg4 s LEU 466 N -0.73 2.53 0.11 8.50 2.96 0.55 -1.85 118.68 130.76 2wg4 s LEU 466 Ca 0.05 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2wg4 s LEU 466 Cb -0.07 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2wg4 s LEU 466 CO 0.00 0.01 0.27 -1.10 -1.32 0.00 0.00 176.35 174.21 2wg4 s GLN 467 N 1.26 3.46 -0.06 1.98 -0.21 -1.26 -1.03 119.66 123.80 2wg4 s GLN 467 Ca 0.03 -0.47 -0.04 0.00 0.02 0.00 0.00 55.36 54.90 2wg4 s GLN 467 Cb -0.14 -2.98 0.02 0.00 1.00 0.00 0.00 33.01 30.91 2wg4 s GLN 467 CO -0.06 0.54 0.14 0.42 -2.12 0.00 0.00 175.29 174.22 2wg4 s ILE 468 N -1.65 -0.01 -0.10 1.08 1.01 0.47 -4.99 121.20 117.01 2wg4 s ILE 468 Ca 0.36 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 2wg4 s ILE 468 Cb -0.12 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 2wg4 s ILE 468 CO 0.28 0.02 -0.02 -0.63 0.00 0.00 0.00 174.94 174.59 2wg4 s ILE 469 N 0.38 4.10 0.02 2.92 1.09 -1.26 -0.53 121.20 127.92 2wg4 s ILE 469 Ca -0.03 -0.32 -0.27 0.00 -1.10 0.00 0.00 60.65 58.94 2wg4 s ILE 469 Cb -0.04 -2.73 -0.16 0.00 -1.06 0.00 0.00 42.46 38.46 2wg4 s ILE 469 CO -0.02 0.57 1.29 0.50 -0.10 0.00 0.00 174.94 177.19 2wg4 h LYS 470 N 5.59 -0.58 -3.20 2.79 3.64 -1.94 -3.32 116.57 119.55 2wg4 h LYS 470 Ca -0.45 0.04 -0.75 0.00 -1.27 0.00 0.00 60.65 58.21 2wg4 h LYS 470 Cb 1.19 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 2wg4 h LYS 470 CO 0.56 -0.28 2.16 0.41 -2.27 0.00 0.00 179.45 180.04 2wg4 n GLY 471 N -0.61 4.92 3.04 5.01 0.00 -1.26 -4.88 105.19 111.41 2wg4 n GLY 471 Ca -0.11 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 2wg4 n GLY 471 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wg4 s LYS 472 N -0.13 0.17 -0.51 1.61 2.20 -1.25 -5.11 119.74 116.71 2wg4 s LYS 472 Ca 0.44 0.76 -0.21 0.00 -0.36 0.00 0.00 55.97 56.60 2wg4 s LYS 472 Cb 0.13 -0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.48 2wg4 s LYS 472 CO -0.03 -0.27 0.75 0.34 -0.36 0.00 0.00 175.35 175.78 2wg4 s ASP 473 N 2.33 6.29 0.11 1.43 2.15 -1.26 -4.75 116.67 122.96 2wg4 s ASP 473 Ca 0.00 -0.61 -0.31 0.00 0.43 0.00 0.00 52.55 52.07 2wg4 s ASP 473 Cb -0.12 -2.35 -0.07 0.00 -0.30 0.00 0.00 42.92 40.08 2wg4 s ASP 473 CO -0.09 -1.00 1.31 -0.31 -0.17 0.00 0.00 175.17 174.91 2wg4 s TYR 474 N 3.17 3.31 -0.11 -5.34 2.02 0.16 -4.89 117.35 115.67 2wg4 s TYR 474 Ca 0.22 1.11 0.16 0.00 -0.37 0.00 0.00 57.07 58.19 2wg4 s TYR 474 Cb -0.16 -3.58 -0.23 0.00 -0.40 0.00 0.00 41.96 37.59 2wg4 s TYR 474 CO 0.16 -1.93 0.18 0.39 -1.57 0.00 0.00 175.55 172.78 2wg4 n GLU 475 N 3.73 1.04 -4.61 -0.62 -0.58 -1.26 -3.68 120.64 114.65 2wg4 n GLU 475 Ca 0.10 -0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.48 2wg4 n GLU 475 Cb 0.44 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.81 2wg4 n GLU 475 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2wg4 s SER 476 N -4.61 3.33 -0.12 1.62 1.04 -1.26 -4.80 113.70 108.89 2wg4 s SER 476 Ca -0.07 -1.68 -0.27 0.00 0.48 0.00 0.00 55.95 54.41 2wg4 s SER 476 Cb 0.07 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 2wg4 s SER 476 CO 0.69 -0.91 0.91 -0.70 0.98 0.00 0.00 173.24 174.20 2wg4 s GLU 477 N -3.77 4.38 0.18 4.02 2.56 -1.26 -4.56 118.70 120.26 2wg4 s GLU 477 Ca 0.17 1.20 -0.32 0.00 0.00 0.00 0.00 54.97 56.01 2wg4 s GLU 477 Cb 0.02 -3.54 -0.11 0.00 2.00 0.00 0.00 34.13 32.50 2wg4 s GLU 477 CO 0.10 -0.27 1.63 -2.14 -0.56 0.00 0.00 175.26 174.02 2wg4 s PRO 478 N 1.90 4.18 0.19 4.30 0.02 -1.26 -4.98 135.00 139.35 2wg4 s PRO 478 Ca 0.43 2.47 -0.25 0.00 0.02 0.00 0.00 61.00 63.67 2wg4 s PRO 478 Cb -0.18 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.14 2wg4 s PRO 478 CO 0.16 -0.67 0.80 -1.12 -0.33 0.00 0.00 177.00 175.84 2wg4 s SER 479 N 1.15 7.39 -0.19 2.53 0.01 -1.26 -4.66 113.70 118.67 2wg4 s SER 479 Ca 0.72 1.67 -0.23 0.00 1.31 0.00 0.00 55.95 59.41 2wg4 s SER 479 Cb -0.46 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.24 2wg4 s SER 479 CO 0.32 0.18 0.75 -0.76 0.41 0.00 0.00 173.24 174.13 2wg4 s LEU 480 N -1.27 4.15 -0.31 2.44 1.43 -1.26 -4.78 118.68 119.08 2wg4 s LEU 480 Ca 0.38 1.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.21 2wg4 s LEU 480 Cb -0.23 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2wg4 s LEU 480 CO 0.26 -0.36 1.34 -0.76 0.23 0.00 0.00 176.35 177.06 2wg4 s LEU 481 N 2.11 3.84 -0.60 1.79 1.43 -0.77 -4.86 118.68 121.62 2wg4 s LEU 481 Ca 0.34 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 2wg4 s LEU 481 Cb -0.16 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.67 2wg4 s LEU 481 CO 0.11 -1.14 0.50 -0.70 0.23 0.00 0.00 176.35 175.35 2wg4 s GLU 482 N 4.30 2.87 0.37 1.70 2.12 -1.26 -1.58 118.70 127.22 2wg4 s GLU 482 Ca 0.58 -2.06 0.02 0.00 0.36 0.00 0.00 54.97 53.86 2wg4 s GLU 482 Cb -0.17 -4.09 0.02 0.00 0.26 0.00 0.00 34.13 30.15 2wg4 s GLU 482 CO 0.25 -1.24 0.13 1.97 -0.54 0.00 0.00 175.26 175.83 2wg4 n PHE 483 N 4.49 0.04 -3.57 5.30 -1.74 -0.87 -5.00 117.46 116.11 2wg4 n PHE 483 Ca -0.01 -1.69 -0.29 0.00 -0.56 0.00 0.00 57.45 54.90 2wg4 n PHE 483 Cb 0.42 -0.27 -0.13 0.00 1.52 0.00 0.00 39.48 41.02 2wg4 n PHE 483 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2wg4 s LYS 484 N -3.42 0.76 -0.15 3.97 2.47 -1.26 -2.46 119.74 119.64 2wg4 s LYS 484 Ca 0.10 -1.45 -0.27 0.00 -1.56 0.00 0.00 55.97 52.79 2wg4 s LYS 484 Cb -0.01 -1.66 -0.25 0.00 -1.46 0.00 0.00 37.83 34.45 2wg4 s LYS 484 CO 0.06 -1.16 0.64 -1.35 0.16 0.00 0.00 175.35 173.70 2wg4 h PRO 485 N 7.13 0.02 0.00 4.03 0.11 -1.96 -3.47 132.00 137.85 2wg4 h PRO 485 Ca 0.00 -0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.71 2wg4 h PRO 485 Cb 0.96 0.01 0.21 0.00 0.11 0.00 0.00 31.00 32.30 2wg4 h PRO 485 CO 0.36 1.01 -0.12 1.19 -0.21 0.00 0.00 178.00 180.23 2wg4 n PHE 486 N -4.53 -3.83 0.00 0.65 3.72 -1.26 -4.90 117.46 107.31 2wg4 n PHE 486 Ca -0.16 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.39 2wg4 n PHE 486 Cb 0.55 -1.23 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 2wg4 n PHE 486 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wg4 n SER 487 N -5.67 0.00 0.02 4.37 2.88 -1.26 -5.09 113.62 108.87 2wg4 n SER 487 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2wg4 n SER 487 Cb 0.60 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2wg4 n SER 487 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wg4 n ASN 488 N -1.37 0.11 -3.41 -3.46 4.13 -1.26 -5.13 115.26 104.87 2wg4 n ASN 488 Ca 0.00 0.07 -0.18 0.00 1.68 0.00 0.00 54.58 56.15 2wg4 n ASN 488 Cb 0.00 0.01 0.18 0.00 -1.54 0.00 0.00 39.78 38.42 2wg4 n ASN 488 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wg4 n GLY 489 N 2.54 -2.43 0.00 7.41 0.00 -1.26 -5.03 105.19 106.42 2wg4 n GLY 489 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2wg4 n GLY 489 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wg4 n PRO 490 N -2.39 2.96 0.00 1.61 -0.02 -1.26 -5.10 135.00 130.79 2wg4 n PRO 490 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wg4 n PRO 490 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 2wg4 n PRO 490 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wg4 n LEU 491 N 0.00 0.00 0.15 2.45 7.94 -1.26 -4.92 117.00 121.36 2wg4 n LEU 491 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2wg4 n LEU 491 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2wg4 n LEU 491 CO 0.00 0.00 0.30 0.58 -1.11 0.00 0.00 177.39 177.16 2wg4 h VAL 492 N 0.00 0.00 -1.06 1.96 2.07 -1.42 -3.46 116.25 114.34 2wg4 h VAL 492 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2wg4 h VAL 492 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2wg4 h VAL 492 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2wg4 n GLY 493 N 0.02 1.52 2.67 2.17 0.00 -1.22 -3.20 105.19 107.15 2wg4 n GLY 493 Ca -0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 2wg4 n GLY 493 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg4 n GLY 494 N 0.00 1.80 3.56 -0.02 0.00 -0.47 -2.46 105.19 107.60 2wg4 n GLY 494 Ca 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 2wg4 n GLY 494 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wg4 s PHE 495 N -3.68 -0.22 -0.21 1.61 -0.71 -0.20 -3.90 117.98 110.67 2wg4 s PHE 495 Ca 0.17 0.14 -0.07 0.00 -1.04 0.00 0.00 56.93 56.14 2wg4 s PHE 495 Cb -0.02 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 2wg4 s PHE 495 CO 0.12 -0.35 0.05 0.08 -1.34 0.00 0.00 175.22 173.79 2wg4 s VAL 496 N -2.67 4.42 -0.16 -2.49 1.01 -1.26 -0.20 120.40 119.06 2wg4 s VAL 496 Ca 0.07 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 2wg4 s VAL 496 Cb -0.01 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2wg4 s VAL 496 CO -0.06 0.41 1.35 -0.47 0.00 0.00 0.00 175.10 176.33 2wg4 s TYR 497 N 0.91 2.65 -0.62 5.22 5.04 -1.07 -4.85 117.35 124.63 2wg4 s TYR 497 Ca 0.03 0.84 0.06 0.00 -2.44 0.00 0.00 57.07 55.56 2wg4 s TYR 497 Cb -0.14 -3.63 0.13 0.00 0.35 0.00 0.00 41.96 38.67 2wg4 s TYR 497 CO 0.02 -2.11 0.99 0.54 -1.34 0.00 0.00 175.55 173.65 2wg4 n ARG 498 N 6.81 1.86 -0.77 4.97 5.12 -1.26 -1.99 116.66 131.39 2wg4 n ARG 498 Ca 0.15 -1.49 -0.30 0.00 -1.93 0.00 0.00 57.85 54.29 2wg4 n ARG 498 Cb 0.45 -1.14 0.25 0.00 -1.16 0.00 0.00 32.46 30.85 2wg4 n ARG 498 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2wg4 s GLY 499 N -0.83 1.52 -0.09 -0.13 0.00 -1.22 -4.72 107.32 101.84 2wg4 s GLY 499 Ca 0.11 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.24 2wg4 s GLY 499 CO 0.09 0.17 0.06 0.00 0.00 0.00 0.00 173.10 173.42 2wg4 h GLN 501 N 0.00 -0.25 -5.50 0.00 5.75 -1.92 -3.40 115.11 109.79 2wg4 h GLN 501 Ca -0.25 0.02 -0.64 0.00 -0.15 0.00 0.00 58.65 57.63 2wg4 h GLN 501 Cb 1.50 0.06 -0.13 0.00 1.07 0.00 0.00 27.48 29.98 2wg4 h GLN 501 CO 0.01 -0.16 -0.54 0.45 -2.65 0.00 0.00 178.83 175.94 2wg4 s SER 502 N -5.11 5.84 -0.05 -0.69 0.15 -1.26 -4.80 113.70 107.78 2wg4 s SER 502 Ca -0.14 0.22 0.20 0.00 0.70 0.00 0.00 55.95 56.92 2wg4 s SER 502 Cb 0.13 -1.92 -0.25 0.00 -1.71 0.00 0.00 66.02 62.28 2wg4 s SER 502 CO 0.67 0.28 0.45 -0.62 1.20 0.00 0.00 173.24 175.22 2wg4 n GLU 503 N 2.86 0.66 0.08 5.44 1.02 -1.26 -3.86 120.64 125.58 2wg4 n GLU 503 Ca -0.18 -0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.78 2wg4 n GLU 503 Cb 0.53 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 2wg4 n GLU 503 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2wg4 h ARG 504 N 0.00 0.24 0.00 3.49 0.11 -1.98 -3.30 114.38 112.94 2wg4 h ARG 504 Ca -0.22 -0.41 0.00 0.00 0.10 0.00 0.00 59.98 59.46 2wg4 h ARG 504 Cb 1.53 0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.77 2wg4 h ARG 504 CO 0.02 1.13 0.00 1.25 0.10 0.00 0.00 179.97 182.47 2wg4 h LEU 505 N 0.07 0.00 -9.41 0.08 5.85 -1.99 -3.46 115.31 106.44 2wg4 h LEU 505 Ca -0.19 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 57.91 2wg4 h LEU 505 Cb 1.99 0.00 0.07 0.00 0.37 0.00 0.00 40.66 43.09 2wg4 h LEU 505 CO 0.18 0.00 0.49 0.00 -0.34 0.00 0.00 178.44 178.77 2wg4 n TYR 506 N -2.60 1.73 -0.38 1.25 9.36 -1.25 -1.67 117.16 123.61 2wg4 n TYR 506 Ca 0.05 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.80 2wg4 n TYR 506 Cb 0.45 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 2wg4 n TYR 506 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wg4 n GLY 507 N 2.42 2.19 3.77 2.98 0.00 -0.84 -5.00 105.19 110.71 2wg4 n GLY 507 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2wg4 n GLY 507 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wg4 s SER 508 N -3.59 7.05 0.36 1.61 0.01 -0.67 -4.83 113.70 113.64 2wg4 s SER 508 Ca 0.00 1.26 -0.27 0.00 1.31 0.00 0.00 55.95 58.25 2wg4 s SER 508 Cb 0.00 -2.39 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 2wg4 s SER 508 CO 0.00 0.12 1.15 -0.31 0.41 0.00 0.00 173.24 174.62 2wg4 s TYR 509 N -0.39 3.23 -0.07 2.43 1.51 -0.94 -2.58 117.35 120.55 2wg4 s TYR 509 Ca 0.32 1.59 -0.00 0.00 -1.01 0.00 0.00 57.07 57.96 2wg4 s TYR 509 Cb -0.19 -3.37 0.02 0.00 -0.11 0.00 0.00 41.96 38.31 2wg4 s TYR 509 CO 0.19 -1.10 -0.03 0.08 -1.11 0.00 0.00 175.55 173.58 2wg4 s VAL 510 N -1.34 0.53 -0.00 0.71 1.01 0.72 -0.96 120.40 121.07 2wg4 s VAL 510 Ca 0.53 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.52 2wg4 s VAL 510 Cb -0.31 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2wg4 s VAL 510 CO 0.40 0.26 -0.14 -0.36 0.00 0.00 0.00 175.10 175.26 2wg4 s PHE 511 N 1.51 1.26 0.20 5.22 0.40 -0.65 -1.04 117.98 124.88 2wg4 s PHE 511 Ca -0.02 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2wg4 s PHE 511 Cb -0.13 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 2wg4 s PHE 511 CO -0.03 -0.01 0.09 0.20 0.70 0.00 0.00 175.22 176.17 2wg4 s GLY 512 N -0.43 1.43 0.15 4.36 0.00 -1.03 -0.89 107.32 110.90 2wg4 s GLY 512 Ca 0.05 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 43.08 2wg4 s GLY 512 CO -0.00 -1.47 0.11 2.09 0.00 0.00 0.00 173.10 173.83 2wg4 n ASP 513 N -0.30 1.53 0.02 1.64 5.75 -0.73 -1.17 116.55 123.29 2wg4 n ASP 513 Ca -0.01 -1.53 0.08 0.00 -0.01 0.00 0.00 54.79 53.32 2wg4 n ASP 513 Cb 0.65 -0.00 0.34 0.00 -1.03 0.00 0.00 41.12 41.08 2wg4 n ASP 513 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wg4 n ARG 514 N -0.83 0.03 -0.21 0.11 1.85 -1.26 -2.86 116.66 113.49 2wg4 n ARG 514 Ca -0.01 0.27 0.08 0.00 -1.00 0.00 0.00 57.85 57.19 2wg4 n ARG 514 Cb 0.17 -1.55 0.19 0.00 -1.05 0.00 0.00 32.46 30.22 2wg4 n ARG 514 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wg4 n ASN 515 N -1.61 3.17 0.00 2.89 3.02 -1.26 -1.57 115.26 119.90 2wg4 n ASN 515 Ca 0.03 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 2wg4 n ASN 515 Cb 0.18 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2wg4 n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wg4 n GLY 516 N 0.97 0.65 3.60 7.41 0.00 -1.13 -5.00 105.19 111.68 2wg4 n GLY 516 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2wg4 n GLY 516 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wg4 s ASN 517 N -2.02 6.65 0.40 1.61 0.02 -1.26 -4.90 114.94 115.43 2wg4 s ASN 517 Ca 0.00 0.52 0.08 0.00 -1.02 0.00 0.00 52.86 52.43 2wg4 s ASN 517 Cb 0.00 -2.45 -0.04 0.00 0.02 0.00 0.00 41.25 38.78 2wg4 s ASN 517 CO 0.00 -0.84 0.24 -0.36 0.02 0.00 0.00 177.10 176.16 2wg4 s PHE 518 N 3.41 2.67 0.18 2.20 0.08 -1.26 -1.78 117.98 123.47 2wg4 s PHE 518 Ca 0.37 -0.51 -0.23 0.00 0.12 0.00 0.00 56.93 56.68 2wg4 s PHE 518 Cb -0.12 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 2wg4 s PHE 518 CO 0.19 0.12 0.62 -0.48 -0.10 0.00 0.00 175.22 175.56 2wg4 s LEU 519 N -3.97 -0.53 0.03 -0.37 0.05 -0.07 -2.41 118.68 111.41 2wg4 s LEU 519 Ca 0.43 -0.08 0.08 0.00 0.05 0.00 0.00 54.13 54.60 2wg4 s LEU 519 Cb 0.00 2.61 -0.03 0.00 -2.05 0.00 0.00 46.19 46.73 2wg4 s LEU 519 CO 0.24 -1.02 -0.21 0.28 -0.55 0.00 0.00 176.35 175.10 2wg4 s THR 520 N -3.77 2.58 0.12 5.48 -1.32 0.13 -1.64 115.64 117.22 2wg4 s THR 520 Ca 0.02 -1.22 0.09 0.00 -1.21 0.00 0.00 61.69 59.38 2wg4 s THR 520 Cb -0.02 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.88 2wg4 s THR 520 CO -0.10 0.37 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.73 2wg4 s LEU 521 N -1.30 2.65 -0.26 9.08 1.43 -0.13 -1.81 118.68 128.34 2wg4 s LEU 521 Ca 0.13 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 2wg4 s LEU 521 Cb -0.10 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.69 2wg4 s LEU 521 CO 0.04 0.18 0.66 -1.58 0.23 0.00 0.00 176.35 175.87 2wg4 s GLN 522 N -2.13 0.68 0.00 1.70 0.74 -1.05 -2.21 119.66 117.38 2wg4 s GLN 522 Ca 0.17 1.16 0.00 0.00 0.05 0.00 0.00 55.36 56.74 2wg4 s GLN 522 Cb -0.10 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.14 2wg4 s GLN 522 CO 0.10 -0.15 0.00 0.94 -0.55 0.00 0.00 175.29 175.63 2wg4 n GLN 523 N 4.21 2.63 -3.68 1.67 7.27 -1.26 -1.18 117.38 127.05 2wg4 n GLN 523 Ca -0.20 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.75 2wg4 n GLN 523 Cb 0.58 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.15 2wg4 n GLN 523 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wg4 s SER 524 N -1.00 -0.65 0.24 1.69 1.04 -1.20 -4.85 113.70 108.97 2wg4 s SER 524 Ca 0.00 1.16 -0.06 0.00 0.48 0.00 0.00 55.95 57.54 2wg4 s SER 524 Cb 0.00 1.12 0.45 0.00 0.10 0.00 0.00 66.02 67.69 2wg4 s SER 524 CO 0.00 -0.20 1.68 -0.65 0.98 0.00 0.00 173.24 175.04 2wg4 h PRO 525 N 5.98 0.23 -6.14 4.02 0.11 -1.95 -2.62 132.00 131.63 2wg4 h PRO 525 Ca -0.30 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.24 2wg4 h PRO 525 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2wg4 h PRO 525 CO 0.18 0.15 -0.52 0.14 -0.21 0.00 0.00 178.00 177.74 2wg4 s VAL 526 N -6.06 4.85 0.00 3.15 -7.23 -1.26 -4.50 120.40 109.36 2wg4 s VAL 526 Ca -0.13 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2wg4 s VAL 526 Cb 0.21 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.65 2wg4 s VAL 526 CO 0.75 -0.12 0.00 0.35 -0.31 0.00 0.00 175.10 175.77 2wg4 n THR 527 N -0.52 0.00 -3.31 5.32 -2.24 -1.26 -4.34 114.28 107.94 2wg4 n THR 527 Ca -0.08 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 2wg4 n THR 527 Cb 0.55 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.83 2wg4 n THR 527 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wg4 n LYS 528 N 0.00 -6.42 -3.36 -0.78 5.02 -0.99 -5.00 118.16 106.64 2wg4 n LYS 528 Ca 0.00 0.85 -0.29 0.00 -2.02 0.00 0.00 58.31 56.85 2wg4 n LYS 528 Cb 0.00 -5.78 -0.04 0.00 -0.02 0.00 0.00 35.03 29.20 2wg4 n LYS 528 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wg4 s GLN 529 N -6.00 3.67 -0.16 1.97 -1.52 -1.26 -4.71 119.66 111.65 2wg4 s GLN 529 Ca 0.45 0.07 -0.05 0.00 -1.95 0.00 0.00 55.36 53.87 2wg4 s GLN 529 Cb -0.20 -2.65 -0.03 0.00 -0.22 0.00 0.00 33.01 29.91 2wg4 s GLN 529 CO 0.55 0.24 0.02 -1.58 -0.25 0.00 0.00 175.29 174.27 2wg4 s TRP 530 N -2.02 3.16 -0.03 0.91 0.52 -1.26 -3.27 118.94 116.95 2wg4 s TRP 530 Ca 0.45 -0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.55 2wg4 s TRP 530 Cb -0.11 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 2wg4 s TRP 530 CO 0.28 0.11 -0.14 1.14 0.02 0.00 0.00 176.95 178.36 2wg4 s GLN 531 N 0.25 2.44 -0.19 4.98 -2.07 -0.32 -4.97 119.66 119.78 2wg4 s GLN 531 Ca 0.01 -0.74 -0.01 0.00 -1.82 0.00 0.00 55.36 52.80 2wg4 s GLN 531 Cb -0.13 -2.37 0.01 0.00 -1.09 0.00 0.00 33.01 29.43 2wg4 s GLN 531 CO 0.01 0.61 -0.14 -1.21 -1.32 0.00 0.00 175.29 173.24 2wg4 s GLU 532 N -0.95 3.16 -0.12 9.60 8.01 -1.26 -2.54 118.70 134.60 2wg4 s GLU 532 Ca 0.13 -0.75 0.03 0.00 0.01 0.00 0.00 54.97 54.39 2wg4 s GLU 532 Cb -0.11 -2.73 0.01 0.00 -4.31 0.00 0.00 34.13 26.99 2wg4 s GLU 532 CO 0.02 -0.16 -0.22 0.15 0.01 0.00 0.00 175.26 175.06 2wg4 s LYS 533 N 1.26 2.96 0.37 1.61 3.01 -0.75 -4.97 119.74 123.24 2wg4 s LYS 533 Ca 0.03 -0.84 -0.28 0.00 -1.01 0.00 0.00 55.97 53.88 2wg4 s LYS 533 Cb -0.14 -2.33 -0.11 0.00 -1.01 0.00 0.00 37.83 34.24 2wg4 s LYS 533 CO -0.07 0.07 1.40 -2.30 0.51 0.00 0.00 175.35 174.95 2wg4 n PRO 534 N 3.84 2.39 -3.72 -1.68 -0.02 -1.26 0.17 135.00 134.72 2wg4 n PRO 534 Ca -0.20 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 2wg4 n PRO 534 Cb 0.52 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 2wg4 n PRO 534 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wg4 s LEU 535 N -1.71 3.80 0.36 2.45 0.20 -1.01 -4.75 118.68 118.02 2wg4 s LEU 535 Ca 0.55 -0.45 -0.26 0.00 0.69 0.00 0.00 54.13 54.66 2wg4 s LEU 535 Cb -0.51 -1.94 -0.09 0.00 -0.43 0.00 0.00 46.19 43.22 2wg4 s LEU 535 CO 0.62 -0.14 1.08 0.00 -0.29 0.00 0.00 176.35 177.63 2wg4 n LEU 537 N 0.32 0.00 -4.67 0.00 7.94 -1.26 -1.20 117.00 118.14 2wg4 n LEU 537 Ca 0.03 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.51 2wg4 n LEU 537 Cb 0.48 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 2wg4 n LEU 537 CO 0.49 0.00 1.17 -1.00 -1.11 0.00 0.00 177.39 176.93 2wg4 s HIS 550 N 2.69 2.62 0.11 1.96 0.09 -1.25 -4.53 115.29 116.98 2wg4 s HIS 550 Ca 0.00 0.74 -0.30 0.00 -0.00 0.00 0.00 55.06 55.50 2wg4 s HIS 550 Cb 0.00 -3.65 -0.06 0.00 -0.00 0.00 0.00 32.58 28.87 2wg4 s HIS 550 CO 0.00 -2.47 0.99 0.42 -0.00 0.00 0.00 174.74 173.68 2wg4 s ILE 551 N 3.30 4.44 -0.06 0.60 1.01 -0.61 -0.80 121.20 129.08 2wg4 s ILE 551 Ca 0.62 1.98 0.08 0.00 0.00 0.00 0.00 60.65 63.33 2wg4 s ILE 551 Cb -0.28 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 37.82 2wg4 s ILE 551 CO 0.22 0.29 0.07 0.18 0.00 0.00 0.00 174.94 175.70 2wg4 n LEU 552 N 2.91 0.00 0.00 2.97 4.77 0.33 -4.70 117.00 123.28 2wg4 n LEU 552 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2wg4 n LEU 552 Cb 0.49 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2wg4 n LEU 552 CO 0.52 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2wg4 n GLY 553 N 2.36 -0.86 3.44 -0.72 0.00 -1.05 -4.78 105.19 103.58 2wg4 n GLY 553 Ca -0.10 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 2wg4 n GLY 553 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg4 s PHE 554 N -2.00 2.02 0.20 1.61 0.08 -1.26 -0.16 117.98 118.47 2wg4 s PHE 554 Ca 0.00 -0.66 -0.00 0.00 0.12 0.00 0.00 56.93 56.39 2wg4 s PHE 554 Cb 0.00 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 2wg4 s PHE 554 CO 0.00 0.34 0.11 0.20 -0.10 0.00 0.00 175.22 175.76 2wg4 s GLY 555 N -3.47 1.44 -0.25 4.36 0.00 -0.62 -2.64 107.32 106.15 2wg4 s GLY 555 Ca 0.30 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 2wg4 s GLY 555 CO 0.13 -1.44 0.42 1.85 0.00 0.00 0.00 173.10 174.05 2wg4 s GLU 556 N -4.11 0.39 1.08 2.90 2.12 -1.14 -0.37 118.70 119.57 2wg4 s GLU 556 Ca 0.36 0.67 -0.16 0.00 0.36 0.00 0.00 54.97 56.20 2wg4 s GLU 556 Cb 0.07 -0.22 0.23 0.00 0.26 0.00 0.00 34.13 34.47 2wg4 s GLU 556 CO 0.11 -0.61 1.15 0.16 -0.54 0.00 0.00 175.26 175.54 2wg4 s ASP 557 N 2.61 2.02 0.43 -1.70 3.84 -0.80 -3.40 116.67 119.68 2wg4 s ASP 557 Ca 0.13 0.69 0.12 0.00 -0.00 0.00 0.00 52.55 53.49 2wg4 s ASP 557 Cb -0.15 -1.01 1.00 0.00 -1.38 0.00 0.00 42.92 41.38 2wg4 s ASP 557 CO -0.17 -3.45 2.02 -0.33 -0.00 0.00 0.00 175.17 173.24 2wg4 h GLU 558 N -2.12 0.41 0.00 2.11 5.08 -1.91 -1.06 114.58 117.09 2wg4 h GLU 558 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wg4 h GLU 558 Cb 1.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wg4 h GLU 558 CO 0.43 0.27 0.00 -0.07 -1.00 0.00 0.00 179.01 178.64 2wg4 h LEU 559 N 0.42 0.00 0.00 1.33 3.38 -1.98 -3.47 115.31 115.00 2wg4 h LEU 559 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2wg4 h LEU 559 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wg4 h LEU 559 CO -0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.08 2wg4 n GLY 560 N 0.54 0.59 3.74 0.83 0.00 -0.40 -3.97 105.19 106.52 2wg4 n GLY 560 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2wg4 n GLY 560 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wg4 s GLU 561 N -0.62 4.19 0.36 1.61 0.41 -1.26 -3.43 118.70 119.96 2wg4 s GLU 561 Ca 0.00 2.44 -0.06 0.00 -0.41 0.00 0.00 54.97 56.93 2wg4 s GLU 561 Cb 0.00 -3.09 -0.05 0.00 -1.78 0.00 0.00 34.13 29.21 2wg4 s GLU 561 CO 0.00 -0.56 0.66 0.14 -0.49 0.00 0.00 175.26 175.01 2wg4 s VAL 562 N 0.36 4.94 0.11 2.63 -7.23 -1.26 -1.90 120.40 118.04 2wg4 s VAL 562 Ca 0.64 0.21 0.04 0.00 -1.81 0.00 0.00 61.98 61.07 2wg4 s VAL 562 Cb -0.45 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 2wg4 s VAL 562 CO 0.41 -0.49 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.30 2wg4 s TYR 563 N -2.30 1.14 -0.05 2.82 2.02 0.51 -2.64 117.35 118.83 2wg4 s TYR 563 Ca 0.46 -0.69 0.05 0.00 -0.37 0.00 0.00 57.07 56.52 2wg4 s TYR 563 Cb -0.10 -0.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 2wg4 s TYR 563 CO 0.33 0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.55 2wg4 s ILE 564 N -2.74 2.42 -0.16 2.71 1.01 -0.83 -1.59 121.20 122.03 2wg4 s ILE 564 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2wg4 s ILE 564 Cb -0.01 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2wg4 s ILE 564 CO 0.00 0.57 -0.16 -0.76 0.00 0.00 0.00 174.94 174.60 2wg4 s LEU 565 N -0.36 2.43 0.00 2.97 1.43 0.77 -0.07 118.68 125.86 2wg4 s LEU 565 Ca 0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2wg4 s LEU 565 Cb -0.12 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 2wg4 s LEU 565 CO 0.02 0.07 0.00 -1.54 0.23 0.00 0.00 176.35 175.13 2wg4 n SER 566 N 4.18 2.03 -3.93 2.29 3.41 -0.80 0.12 113.62 120.92 2wg4 n SER 566 Ca -0.19 -1.22 -0.10 0.00 -0.26 0.00 0.00 58.87 57.09 2wg4 n SER 566 Cb 0.51 0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 2wg4 n SER 566 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wg4 s SER 567 N -1.28 0.14 0.00 4.04 0.15 0.02 -3.41 113.70 113.37 2wg4 s SER 567 Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2wg4 s SER 567 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2wg4 s SER 567 CO 0.00 -0.25 0.00 1.41 1.20 0.00 0.00 173.24 175.60 2wg4 n HIS 575 N 1.89 0.00 -2.24 3.44 -0.00 -1.26 -3.76 115.22 113.28 2wg4 n HIS 575 Ca -0.21 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.08 2wg4 n HIS 575 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.53 2wg4 n HIS 575 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2wg4 s ASN 576 N 0.00 6.42 0.00 0.41 4.22 -1.25 -3.22 114.94 121.52 2wg4 s ASN 576 Ca 0.00 1.32 0.00 0.00 -2.14 0.00 0.00 52.86 52.04 2wg4 s ASN 576 Cb 0.00 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.99 2wg4 s ASN 576 CO 0.00 -1.27 0.00 0.61 -2.04 0.00 0.00 177.10 174.40 2wg4 n GLY 577 N 4.69 1.76 3.22 0.45 0.00 -1.19 -4.49 105.19 109.64 2wg4 n GLY 577 Ca 0.17 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 2wg4 n GLY 577 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wg4 s LYS 578 N -0.30 0.88 -0.10 1.61 -2.85 -1.22 -0.19 119.74 117.57 2wg4 s LYS 578 Ca 0.00 -1.01 0.01 0.00 -1.00 0.00 0.00 55.97 53.98 2wg4 s LYS 578 Cb 0.00 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 2wg4 s LYS 578 CO 0.00 -0.28 -0.14 -1.17 0.10 0.00 0.00 175.35 173.86 2wg4 s LEU 579 N -2.88 2.69 0.42 2.77 2.96 -0.07 -1.90 118.68 122.67 2wg4 s LEU 579 Ca 0.07 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.76 2wg4 s LEU 579 Cb 0.05 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 2wg4 s LEU 579 CO -0.09 0.23 0.09 -0.31 -1.32 0.00 0.00 176.35 174.95 2wg4 s TYR 580 N -0.05 2.48 -0.04 5.38 2.02 0.90 -0.70 117.35 127.35 2wg4 s TYR 580 Ca -0.03 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 2wg4 s TYR 580 Cb -0.14 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2wg4 s TYR 580 CO 0.04 0.29 -0.04 0.21 -1.57 0.00 0.00 175.55 174.48 2wg4 s LYS 581 N -3.82 0.73 0.07 -0.62 2.20 -0.30 -1.97 119.74 116.03 2wg4 s LYS 581 Ca 0.35 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 2wg4 s LYS 581 Cb 0.06 -0.75 -0.05 0.00 -1.51 0.00 0.00 37.83 35.59 2wg4 s LYS 581 CO 0.19 -0.05 0.99 0.42 -0.36 0.00 0.00 175.35 176.54 2wg4 s ILE 582 N 0.74 4.59 -0.01 5.43 -1.09 -1.08 -1.89 121.20 127.89 2wg4 s ILE 582 Ca -0.10 2.01 0.01 0.00 -2.23 0.00 0.00 60.65 60.34 2wg4 s ILE 582 Cb -0.13 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 2wg4 s ILE 582 CO 0.00 0.24 -0.01 0.68 -1.23 0.00 0.00 174.94 174.62 2wg4 s VAL 583 N 0.45 0.17 -0.45 2.92 -7.23 -0.26 -4.74 120.40 111.26 2wg4 s VAL 583 Ca 0.50 -0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.42 2wg4 s VAL 583 Cb -0.23 -0.19 0.03 0.00 0.56 0.00 0.00 36.38 36.55 2wg4 s VAL 583 CO 0.29 0.08 0.74 -0.62 -0.31 0.00 0.00 175.10 175.28 2wg4 s ASP 584 N 0.32 6.37 0.60 4.85 2.15 -1.26 -2.34 116.67 127.36 2wg4 s ASP 584 Ca -0.03 -0.22 0.31 0.00 0.43 0.00 0.00 52.55 53.04 2wg4 s ASP 584 Cb -0.05 -2.36 1.78 0.00 -0.30 0.00 0.00 42.92 41.98 2wg4 s ASP 584 CO -0.01 -0.88 2.15 -0.65 -0.17 0.00 0.00 175.17 175.62 2wg4 h PRO 585 N 8.96 0.00 0.00 4.34 0.11 -1.94 -1.69 132.00 141.78 2wg4 h PRO 585 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 2wg4 h PRO 585 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wg4 h PRO 585 CO 0.94 0.00 -0.05 0.87 -0.21 0.00 0.00 178.00 179.55 2wg4 h LYS 586 N 0.00 0.00 -5.15 1.05 1.57 -1.91 -3.43 116.57 108.70 2wg4 h LYS 586 Ca 0.05 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.47 2wg4 h LYS 586 Cb 0.34 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.47 2wg4 h LYS 586 CO -0.00 0.05 -0.74 1.03 -0.57 0.00 0.00 179.45 179.22 2wg4 s ARG 587 N -4.05 0.92 0.67 3.15 0.52 -0.64 -5.14 118.95 114.39 2wg4 s ARG 587 Ca -0.02 -1.19 -0.17 0.00 -0.52 0.00 0.00 55.73 53.83 2wg4 s ARG 587 Cb 0.12 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.88 2wg4 s ARG 587 CO 0.53 0.12 0.82 -2.30 0.02 0.00 0.00 175.30 174.48 2wg4 n PRO 588 N 0.55 0.56 -0.02 3.54 -0.02 -1.26 -4.71 135.00 133.64 2wg4 n PRO 588 Ca -0.16 0.24 0.17 0.00 -2.02 0.00 0.00 63.50 61.73 2wg4 n PRO 588 Cb 0.57 -2.06 0.63 0.00 -0.02 0.00 0.00 33.50 32.62 2wg4 n PRO 588 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wg4 h LEU 589 N -0.04 0.11 -5.84 2.45 3.38 -1.96 -3.31 115.31 110.10 2wg4 h LEU 589 Ca -0.47 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.08 2wg4 h LEU 589 Cb 1.35 -0.02 -0.30 0.00 0.09 0.00 0.00 40.66 41.79 2wg4 h LEU 589 CO 0.47 0.06 -0.80 0.80 0.09 0.00 0.00 178.44 179.06 2wg4 n MET 590 N -4.42 0.35 -1.14 1.13 0.00 -1.26 -4.94 117.12 106.84 2wg4 n MET 590 Ca 0.09 -2.74 -0.36 0.00 0.00 0.00 0.00 57.70 54.70 2wg4 n MET 590 Cb 0.53 -1.57 0.07 0.00 0.00 0.00 0.00 33.22 32.25 2wg4 n MET 590 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2wg4 n PRO 591 N 2.77 0.13 0.33 2.12 -0.02 -1.25 -4.77 135.00 134.31 2wg4 n PRO 591 Ca 0.25 0.08 0.22 0.00 -2.02 0.00 0.00 63.50 62.03 2wg4 n PRO 591 Cb 0.51 -1.71 1.19 0.00 -0.02 0.00 0.00 33.50 33.48 2wg4 n PRO 591 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wg4 h GLU 592 N -0.66 0.00 0.00 -0.52 3.07 -1.99 -1.11 114.58 113.37 2wg4 h GLU 592 Ca -0.45 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.30 2wg4 h GLU 592 Cb 1.34 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.23 2wg4 h GLU 592 CO 0.39 0.00 -1.40 -0.85 -1.40 0.00 0.00 179.01 175.75 2wg4 n GLU 593 N -3.04 0.62 0.00 2.33 0.28 -1.26 -3.93 120.64 115.65 2wg4 n GLU 593 Ca -0.03 0.14 0.14 0.00 -0.16 0.00 0.00 57.16 57.25 2wg4 n GLU 593 Cb 0.07 -1.77 0.61 0.00 1.43 0.00 0.00 31.44 31.78 2wg4 n GLU 593 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wg4 n ARG 595 N -1.41 1.07 -3.64 0.00 0.00 -1.16 -4.97 116.66 106.56 2wg4 n ARG 595 Ca 0.09 0.41 -0.07 0.00 -0.00 0.00 0.00 57.85 58.28 2wg4 n ARG 595 Cb 0.31 -2.25 -0.07 0.00 -0.00 0.00 0.00 32.46 30.45 2wg4 n ARG 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wg4 s ALA 596 N -1.45 -1.85 0.09 2.89 0.00 -1.26 -5.11 121.76 115.08 2wg4 s ALA 596 Ca 0.75 2.38 -0.31 0.00 0.00 0.00 0.00 51.96 54.78 2wg4 s ALA 596 Cb -0.43 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.23 2wg4 s ALA 596 CO 0.48 -0.37 1.25 0.99 0.00 0.00 0.00 175.76 178.10 2wg4 s THR 597 N 1.58 3.79 -0.46 0.00 2.01 -1.26 -4.98 115.64 116.32 2wg4 s THR 597 Ca -0.10 1.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 2wg4 s THR 597 Cb -0.05 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.65 2wg4 s THR 597 CO -0.19 0.12 0.91 -0.69 -0.69 0.00 0.00 174.62 174.07 2wg4 s VAL 598 N 0.92 4.49 -0.51 3.82 1.01 -1.26 -4.99 120.40 123.88 2wg4 s VAL 598 Ca 0.59 0.68 -0.21 0.00 0.00 0.00 0.00 61.98 63.04 2wg4 s VAL 598 Cb -0.32 -4.42 0.05 0.00 0.00 0.00 0.00 36.38 31.68 2wg4 s VAL 598 CO 0.30 -0.83 0.74 -1.10 0.00 0.00 0.00 175.10 174.21 2wg4 s GLN 599 N 3.70 3.23 0.43 2.72 1.11 -0.94 -4.97 119.66 124.94 2wg4 s GLN 599 Ca 0.36 -0.56 -0.25 0.00 0.01 0.00 0.00 55.36 54.92 2wg4 s GLN 599 Cb -0.10 -4.05 -0.09 0.00 -1.01 0.00 0.00 33.01 27.75 2wg4 s GLN 599 CO 0.26 -1.26 1.24 -2.30 0.01 0.00 0.00 175.29 173.24 2wg4 n PRO 600 N 6.63 1.83 -1.85 2.91 -0.02 -1.26 -1.49 135.00 141.74 2wg4 n PRO 600 Ca -0.03 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2wg4 n PRO 600 Cb 0.47 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2wg4 n PRO 600 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wg4 s ALA 601 N -1.22 3.81 0.43 3.55 0.00 -1.26 -4.80 121.76 122.27 2wg4 s ALA 601 Ca 0.62 1.42 0.07 0.00 0.00 0.00 0.00 51.96 54.07 2wg4 s ALA 601 Cb -0.50 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 2wg4 s ALA 601 CO 0.57 -0.93 0.22 -0.65 0.00 0.00 0.00 175.76 174.97 2wg4 s GLN 602 N 1.59 2.26 0.58 0.00 -1.52 -1.26 -4.89 119.66 116.41 2wg4 s GLN 602 Ca 0.73 -1.86 -0.19 0.00 -1.95 0.00 0.00 55.36 52.09 2wg4 s GLN 602 Cb -0.45 -2.02 -0.04 0.00 -0.22 0.00 0.00 33.01 30.28 2wg4 s GLN 602 CO 0.32 -0.20 1.16 0.99 -0.25 0.00 0.00 175.29 177.32 2wg4 s THR 603 N -2.62 2.92 -0.02 -0.19 2.01 -1.26 -4.77 115.64 111.70 2wg4 s THR 603 Ca 0.39 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 2wg4 s THR 603 Cb 0.02 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 2wg4 s THR 603 CO 0.22 -0.13 1.69 -0.76 -0.69 0.00 0.00 174.62 174.95 2wg4 s LEU 604 N -4.00 4.34 -0.03 4.42 1.02 -1.26 -4.87 118.68 118.30 2wg4 s LEU 604 Ca 0.75 2.33 0.07 0.00 0.02 0.00 0.00 54.13 57.30 2wg4 s LEU 604 Cb -0.27 -3.54 0.18 0.00 0.02 0.00 0.00 46.19 42.59 2wg4 s LEU 604 CO 0.31 -0.93 1.14 0.35 0.02 0.00 0.00 176.35 177.24 2wg4 n THR 605 N 5.36 1.19 -0.68 5.49 -2.24 -1.26 -4.83 114.28 117.31 2wg4 n THR 605 Ca 0.17 -1.19 -0.31 0.00 -2.27 0.00 0.00 64.05 60.45 2wg4 n THR 605 Cb 0.42 0.37 0.17 0.00 -2.10 0.00 0.00 70.33 69.19 2wg4 n THR 605 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wg4 n SER 606 N -0.21 -0.29 -0.20 3.42 3.41 -1.26 -4.83 113.62 113.66 2wg4 n SER 606 Ca 0.08 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 2wg4 n SER 606 Cb 0.40 -1.41 0.02 0.00 -0.26 0.00 0.00 64.21 62.96 2wg4 n SER 606 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wg4 h GLU 607 N -1.92 0.96 0.13 4.33 4.81 -1.96 -2.25 114.58 118.68 2wg4 h GLU 607 Ca -0.45 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 2wg4 h GLU 607 Cb 1.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2wg4 h GLU 607 CO 0.40 0.94 -0.06 0.00 -0.73 0.00 0.00 179.01 179.57 2wg4 h SER 609 N -0.56 0.24 0.00 0.00 4.64 -1.93 -2.33 113.55 113.62 2wg4 h SER 609 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wg4 h SER 609 Cb 0.44 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2wg4 h SER 609 CO 0.03 0.13 0.00 0.54 -0.87 0.00 0.00 176.83 176.65 2wg4 n ARG 610 N -4.44 0.00 -2.80 4.77 1.74 -0.85 -4.50 116.66 110.59 2wg4 n ARG 610 Ca 0.13 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 2wg4 n ARG 610 Cb 0.56 -0.91 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 2wg4 n ARG 610 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2wg4 n LEU 611 N -0.64 6.01 -3.85 0.55 -0.00 -0.97 -4.91 117.00 113.20 2wg4 n LEU 611 Ca 0.00 -5.52 -0.30 0.00 -0.00 0.00 0.00 56.01 50.19 2wg4 n LEU 611 Cb 0.00 -0.90 -0.15 0.00 -0.00 0.00 0.00 43.42 42.37 2wg4 n LEU 611 CO 0.00 2.17 -0.35 0.00 -0.00 0.00 0.00 177.39 179.21 2wg4 s ARG 613 N 1.41 2.10 -1.43 0.00 0.52 -1.24 -4.72 118.95 115.60 2wg4 s ARG 613 Ca 0.06 -1.86 -0.06 0.00 -0.52 0.00 0.00 55.73 53.35 2wg4 s ARG 613 Cb -0.18 -1.88 0.03 0.00 0.52 0.00 0.00 34.95 33.44 2wg4 s ARG 613 CO -0.16 0.00 0.49 0.09 0.02 0.00 0.00 175.30 175.75 2wg4 n ASN 614 N -1.06 -5.08 0.00 0.23 3.02 -1.26 -4.41 115.26 106.70 2wg4 n ASN 614 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2wg4 n ASN 614 Cb 0.64 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 2wg4 n ASN 614 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wg4 n GLY 615 N -1.32 -1.11 3.27 7.41 0.00 -1.26 -0.56 105.19 111.62 2wg4 n GLY 615 Ca -0.09 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2wg4 n GLY 615 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wg4 s TYR 616 N -3.00 1.36 -0.20 1.61 -0.85 -0.81 -4.93 117.35 110.53 2wg4 s TYR 616 Ca 0.00 -0.71 -0.14 0.00 -0.52 0.00 0.00 57.07 55.70 2wg4 s TYR 616 Cb 0.00 -0.68 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 2wg4 s TYR 616 CO 0.00 0.14 0.32 0.00 -1.52 0.00 0.00 175.55 174.50 2wg4 s THR 618 N 1.09 3.94 -1.24 0.00 -4.23 0.19 -4.89 115.64 110.52 2wg4 s THR 618 Ca 0.16 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 2wg4 s THR 618 Cb -0.14 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.29 2wg4 s THR 618 CO 0.06 -0.68 0.68 -2.65 -0.54 0.00 0.00 174.62 171.50 2wg4 n PRO 619 N -2.51 0.00 0.00 3.99 -0.02 -1.26 0.21 135.00 135.41 2wg4 n PRO 619 Ca 0.08 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2wg4 n PRO 619 Cb 0.53 -1.54 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 2wg4 n PRO 619 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wg4 n THR 620 N -1.18 0.00 0.00 3.45 -2.24 -1.26 -4.93 114.28 108.12 2wg4 n THR 620 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2wg4 n THR 620 Cb 0.04 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2wg4 n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg4 n GLY 621 N 1.38 0.59 3.73 3.38 0.00 0.13 -5.08 105.19 109.33 2wg4 n GLY 621 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2wg4 n GLY 621 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wg4 s LYS 622 N -0.74 4.59 -0.65 1.61 2.20 -1.26 -4.58 119.74 120.91 2wg4 s LYS 622 Ca 0.00 1.65 -0.19 0.00 -0.36 0.00 0.00 55.97 57.07 2wg4 s LYS 622 Cb 0.00 -3.32 0.11 0.00 -1.51 0.00 0.00 37.83 33.11 2wg4 s LYS 622 CO 0.00 0.04 0.78 0.00 -0.36 0.00 0.00 175.35 175.81 2wg4 s SER 626 N -0.99 4.25 0.33 0.00 1.04 0.28 -4.92 113.70 113.69 2wg4 s SER 626 Ca 0.54 1.36 -0.28 0.00 0.48 0.00 0.00 55.95 58.04 2wg4 s SER 626 Cb -0.32 -2.08 -0.13 0.00 0.10 0.00 0.00 66.02 63.59 2wg4 s SER 626 CO 0.41 -2.13 1.21 -2.65 0.98 0.00 0.00 173.24 171.06 2wg4 n PRO 627 N -3.54 1.90 -0.48 4.02 -0.02 -1.26 -2.30 135.00 133.32 2wg4 n PRO 627 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2wg4 n PRO 627 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2wg4 n PRO 627 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg4 n GLY 628 N 0.89 0.76 3.08 -1.23 0.00 -1.26 -5.06 105.19 102.38 2wg4 n GLY 628 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2wg4 n GLY 628 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wg4 s TRP 629 N -2.23 0.69 0.07 1.61 0.52 -0.97 -2.17 118.94 116.46 2wg4 s TRP 629 Ca 0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 56.10 55.47 2wg4 s TRP 629 Cb 0.00 -0.41 0.01 0.00 -1.15 0.00 0.00 33.47 31.91 2wg4 s TRP 629 CO 0.00 -0.12 0.12 -0.85 0.02 0.00 0.00 176.95 176.12 2wg4 n GLU 630 N 1.03 0.18 0.00 4.98 0.28 -0.64 -4.75 120.64 121.72 2wg4 n GLU 630 Ca -0.20 -0.51 0.00 0.00 -0.16 0.00 0.00 57.16 56.29 2wg4 n GLU 630 Cb 0.56 0.55 0.00 0.00 1.43 0.00 0.00 31.44 33.98 2wg4 n GLU 630 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wg4 n GLY 631 N -0.11 -0.09 0.23 -1.84 0.00 -1.26 -2.59 105.19 99.52 2wg4 n GLY 631 Ca -0.01 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 2wg4 n GLY 631 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wg4 h ASP 632 N 0.00 -0.60 -0.15 1.61 3.32 -2.00 -3.07 116.42 115.53 2wg4 h ASP 632 Ca 0.00 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2wg4 h ASP 632 Cb 0.00 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2wg4 h ASP 632 CO 0.00 -0.23 -0.34 0.49 -1.72 0.00 0.00 179.24 177.44 2wg4 n PHE 633 N -5.34 0.48 -3.56 4.55 3.72 -1.26 -4.47 117.46 111.58 2wg4 n PHE 633 Ca -0.02 -1.56 -0.21 0.00 -0.05 0.00 0.00 57.45 55.60 2wg4 n PHE 633 Cb 0.25 -0.35 0.08 0.00 -0.94 0.00 0.00 39.48 38.52 2wg4 n PHE 633 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wg4 n ARG 635 N -4.59 1.26 -1.99 0.00 5.12 -1.16 -4.57 116.66 110.74 2wg4 n ARG 635 Ca -0.13 0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.38 2wg4 n ARG 635 Cb 0.61 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 2wg4 n ARG 635 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2wg4 s THR 636 N -2.39 3.42 0.49 0.55 2.01 -1.07 -4.93 115.64 113.72 2wg4 s THR 636 Ca -0.10 0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 2wg4 s THR 636 Cb 0.05 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 2wg4 s THR 636 CO 0.64 -0.52 1.33 0.00 -0.69 0.00 0.00 174.62 175.38 2wg4 s ALA 637 N 7.69 3.00 -0.17 7.40 0.00 -1.26 -1.62 121.76 136.80 2wg4 s ALA 637 Ca 0.77 1.27 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2wg4 s ALA 637 Cb -0.20 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.43 2wg4 s ALA 637 CO 0.30 -1.12 -0.10 0.21 0.00 0.00 0.00 175.76 175.05 2wg4 s LYS 638 N -2.67 1.88 0.78 0.00 2.20 -0.92 -4.50 119.74 116.51 2wg4 s LYS 638 Ca 0.66 -0.61 -0.09 0.00 -0.36 0.00 0.00 55.97 55.57 2wg4 s LYS 638 Cb -0.39 -2.12 0.10 0.00 -1.51 0.00 0.00 37.83 33.91 2wg4 s LYS 638 CO 0.47 -0.36 1.10 0.00 -0.36 0.00 0.00 175.35 176.21 2wg4 s GLU 640 N -5.43 0.25 0.81 0.00 2.56 -1.26 -3.04 118.70 112.58 2wg4 s GLU 640 Ca 0.64 0.13 -0.11 0.00 0.00 0.00 0.00 54.97 55.63 2wg4 s GLU 640 Cb -0.09 -0.97 0.08 0.00 2.00 0.00 0.00 34.13 35.15 2wg4 s GLU 640 CO 0.47 -0.76 1.10 -2.14 -0.56 0.00 0.00 175.26 173.37 2wg4 s PRO 641 N 2.36 1.94 0.64 4.30 0.02 -1.26 -4.89 135.00 138.10 2wg4 s PRO 641 Ca 0.08 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.13 2wg4 s PRO 641 Cb -0.15 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2wg4 s PRO 641 CO -0.19 -1.88 1.22 0.00 -0.33 0.00 0.00 177.00 175.82 2wg4 s ALA 642 N -2.86 2.41 0.30 -1.55 0.00 -1.17 -4.95 121.76 113.94 2wg4 s ALA 642 Ca 0.62 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 2wg4 s ALA 642 Cb -0.18 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2wg4 s ALA 642 CO 0.57 -1.42 1.23 0.00 0.00 0.00 0.00 175.76 176.14 2wg4 s ARG 644 N -1.56 2.15 -1.07 0.00 0.52 -1.11 -4.49 118.95 113.40 2wg4 s ARG 644 Ca 0.48 -2.09 -0.17 0.00 -0.52 0.00 0.00 55.73 53.42 2wg4 s ARG 644 Cb -0.37 -1.79 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 2wg4 s ARG 644 CO 0.47 -0.24 0.77 0.72 0.02 0.00 0.00 175.30 177.04 2wg4 n HIS 645 N -1.25 -2.02 -2.63 -0.53 8.25 -1.26 -1.28 115.22 114.49 2wg4 n HIS 645 Ca -0.07 0.55 -0.18 0.00 -0.26 0.00 0.00 57.72 57.76 2wg4 n HIS 645 Cb 0.66 -3.43 -0.00 0.00 1.12 0.00 0.00 29.99 28.34 2wg4 n HIS 645 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wg4 n GLY 646 N -1.69 -0.50 3.75 -1.41 0.00 -1.26 -4.68 105.19 99.40 2wg4 n GLY 646 Ca -0.11 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2wg4 n GLY 646 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wg4 s GLY 647 N -2.22 3.04 -0.20 -0.02 0.00 -0.40 -4.65 107.32 102.87 2wg4 s GLY 647 Ca 0.10 0.54 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 2wg4 s GLY 647 CO 0.12 1.17 -0.14 0.54 0.00 0.00 0.00 173.10 174.79 2wg4 s VAL 648 N -0.89 2.58 0.25 1.40 0.11 -1.11 -4.61 120.40 118.13 2wg4 s VAL 648 Ca 0.41 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 58.38 2wg4 s VAL 648 Cb -0.25 -2.14 -0.09 0.00 -1.53 0.00 0.00 36.38 32.38 2wg4 s VAL 648 CO 0.30 0.48 1.11 0.00 -3.33 0.00 0.00 175.10 173.66 2wg4 n VAL 650 N 1.55 0.00 -1.64 0.00 0.31 -1.13 -4.42 118.33 112.99 2wg4 n VAL 650 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 2wg4 n VAL 650 Cb 0.45 -0.35 0.14 0.00 -0.91 0.00 0.00 33.84 33.17 2wg4 n VAL 650 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wg4 s ARG 651 N -0.78 1.04 -0.80 5.55 3.00 -1.26 -4.88 118.95 120.82 2wg4 s ARG 651 Ca 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 55.73 55.61 2wg4 s ARG 651 Cb 0.00 -1.84 -0.18 0.00 0.00 0.00 0.00 34.95 32.92 2wg4 s ARG 651 CO 0.00 -2.23 2.40 -0.35 0.00 0.00 0.00 175.30 175.12 2wg4 n PRO 652 N -3.75 0.45 -1.14 3.54 -0.04 -1.26 -1.70 135.00 131.09 2wg4 n PRO 652 Ca 0.09 -0.30 -0.05 0.00 -0.04 0.00 0.00 63.50 63.20 2wg4 n PRO 652 Cb 0.60 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 2wg4 n PRO 652 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wg4 n ASN 653 N 13.55 -4.24 -4.38 3.54 5.03 -1.26 -4.97 115.26 122.52 2wg4 n ASN 653 Ca 0.53 0.12 -0.45 0.00 0.87 0.00 0.00 54.58 55.65 2wg4 n ASN 653 Cb 0.32 -2.17 -0.03 0.00 -1.02 0.00 0.00 39.78 36.87 2wg4 n ASN 653 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2wg4 s LYS 654 N -1.89 3.29 1.16 3.52 3.01 -0.69 -4.74 119.74 123.40 2wg4 s LYS 654 Ca 0.00 -1.68 -0.14 0.00 -1.01 0.00 0.00 55.97 53.15 2wg4 s LYS 654 Cb 0.00 -4.45 0.28 0.00 -1.01 0.00 0.00 37.83 32.65 2wg4 s LYS 654 CO 0.00 -1.54 1.04 0.00 0.51 0.00 0.00 175.35 175.36 2wg4 s LEU 656 N -7.10 0.03 -0.08 0.00 2.96 -1.04 -4.87 118.68 108.58 2wg4 s LEU 656 Ca 0.68 -1.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.21 2wg4 s LEU 656 Cb -0.23 0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.73 2wg4 s LEU 656 CO 0.63 -0.36 0.69 0.00 -1.32 0.00 0.00 176.35 175.99 2wg4 n LYS 658 N 3.88 -2.64 -1.67 0.00 5.02 -1.26 -4.78 118.16 116.71 2wg4 n LYS 658 Ca -0.01 -0.85 -0.45 0.00 -2.02 0.00 0.00 58.31 54.97 2wg4 n LYS 658 Cb 0.51 -0.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.59 2wg4 n LYS 658 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wg4 n LYS 659 N -3.52 2.05 0.00 1.97 3.00 -1.26 -2.45 118.16 117.95 2wg4 n LYS 659 Ca 0.08 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 2wg4 n LYS 659 Cb 0.31 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 32.92 2wg4 n LYS 659 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wg4 n GLY 660 N 2.42 2.05 3.39 3.14 0.00 -1.26 -5.06 105.19 109.87 2wg4 n GLY 660 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2wg4 n GLY 660 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wg4 s TYR 661 N -2.52 2.21 0.10 1.61 2.02 -1.03 -5.15 117.35 114.60 2wg4 s TYR 661 Ca 0.00 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 2wg4 s TYR 661 Cb 0.00 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.42 2wg4 s TYR 661 CO 0.00 0.39 0.26 -0.51 -1.57 0.00 0.00 175.55 174.11 2wg4 s LEU 662 N -2.33 1.10 0.00 -1.29 1.43 -1.26 -4.73 118.68 111.60 2wg4 s LEU 662 Ca 0.16 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2wg4 s LEU 662 Cb -0.09 1.28 0.00 0.00 0.03 0.00 0.00 46.19 47.41 2wg4 s LEU 662 CO 0.07 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.49 2wg4 n GLY 663 N -0.12 2.62 0.36 -3.19 0.00 -1.26 -4.23 105.19 99.37 2wg4 n GLY 663 Ca -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 46.02 43.73 2wg4 n GLY 663 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wg4 h PRO 664 N 0.00 1.22 0.00 1.61 0.11 -1.98 -3.08 132.00 129.88 2wg4 h PRO 664 Ca 0.00 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 2wg4 h PRO 664 Cb 0.00 -0.25 -0.07 0.00 0.11 0.00 0.00 31.00 30.79 2wg4 h PRO 664 CO 0.00 0.87 -0.57 1.04 -0.21 0.00 0.00 178.00 179.13 2wg4 n GLN 665 N -4.35 1.27 -0.58 1.05 3.00 -1.26 -3.74 117.38 112.77 2wg4 n GLN 665 Ca 0.10 -3.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.07 2wg4 n GLN 665 Cb 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2wg4 n GLN 665 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06