#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgt s ALA 251 N 0.00 0.89 -0.03 -0.43 0.00 0.00 0.84 121.76 123.04 3fgt s ALA 251 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3fgt s ALA 251 Cb 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3fgt s ALA 251 CO 0.00 0.09 0.05 -1.17 0.00 0.00 0.00 175.76 174.74 3fgt s LEU 252 N -1.57 1.07 -0.28 0.00 2.96 -0.28 -0.56 118.68 120.02 3fgt s LEU 252 Ca -0.05 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.91 3fgt s LEU 252 Cb -0.10 0.04 0.02 0.00 0.50 0.00 0.00 46.19 46.65 3fgt s LEU 252 CO 0.01 -0.12 0.03 -0.63 -1.32 0.00 0.00 176.35 174.32 3fgt s ILE 253 N 1.01 3.52 -0.19 6.68 1.01 0.74 -0.22 121.20 133.74 3fgt s ILE 253 Ca -0.08 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 3fgt s ILE 253 Cb -0.12 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.53 3fgt s ILE 253 CO -0.03 0.09 -0.16 -0.75 0.00 0.00 0.00 174.94 174.09 3fgt s LYS 254 N 1.42 3.10 -0.36 2.79 2.47 0.98 -0.40 119.74 129.74 3fgt s LYS 254 Ca 0.01 -0.78 -0.29 0.00 -1.56 0.00 0.00 55.97 53.35 3fgt s LYS 254 Cb -0.17 -2.68 0.02 0.00 -1.46 0.00 0.00 37.83 33.54 3fgt s LYS 254 CO -0.00 -0.19 1.12 -1.17 0.16 0.00 0.00 175.35 175.26 3fgt s LEU 255 N 1.31 3.85 0.80 5.43 2.96 0.35 -0.39 118.68 132.99 3fgt s LEU 255 Ca 0.05 0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 54.75 3fgt s LEU 255 Cb -0.13 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.09 3fgt s LEU 255 CO -0.10 -1.00 1.14 -0.76 -1.32 0.00 0.00 176.35 174.31 3fgt s LEU 256 N 3.95 3.09 0.35 -0.68 1.43 0.01 -4.86 118.68 121.97 3fgt s LEU 256 Ca 0.47 2.10 -0.27 0.00 -1.03 0.00 0.00 54.13 55.41 3fgt s LEU 256 Cb -0.11 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.43 3fgt s LEU 256 CO 0.21 -2.40 1.09 -2.65 0.23 0.00 0.00 176.35 172.82 3fgt n PRO 257 N -3.42 1.58 -1.13 1.29 -0.02 -1.26 -0.99 135.00 131.05 3fgt n PRO 257 Ca 0.11 0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 62.11 3fgt n PRO 257 Cb 0.52 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 3fgt n PRO 257 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fgt n GLY 258 N 1.07 0.65 2.41 -1.23 0.00 -1.26 -2.56 105.19 104.26 3fgt n GLY 258 Ca 0.08 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 3fgt n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgt n GLY 259 N -1.36 -0.27 0.26 -0.02 0.00 -0.16 -4.00 105.19 99.64 3fgt n GLY 259 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3fgt n GLY 259 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3fgt h HIS 260 N 0.00 0.00 -2.68 1.61 3.86 -1.53 0.42 115.15 116.83 3fgt h HIS 260 Ca -0.41 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 58.92 3fgt h HIS 260 Cb 1.29 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.69 3fgt h HIS 260 CO 0.60 0.05 0.35 0.34 0.86 0.00 0.00 177.93 180.13 3fgt s ASP 261 N -6.80 -0.22 -0.19 2.45 -1.08 -1.26 -4.54 116.67 105.03 3fgt s ASP 261 Ca -0.05 -0.51 -0.02 0.00 -0.52 0.00 0.00 52.55 51.45 3fgt s ASP 261 Cb 0.16 0.61 0.06 0.00 -1.46 0.00 0.00 42.92 42.29 3fgt s ASP 261 CO 0.64 -1.13 -0.00 -0.22 0.52 0.00 0.00 175.17 174.98 3fgt s LEU 262 N -2.93 1.54 -0.05 -1.34 2.96 -1.26 -0.81 118.68 116.78 3fgt s LEU 262 Ca 0.12 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.16 3fgt s LEU 262 Cb -0.04 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 3fgt s LEU 262 CO 0.05 -0.27 0.08 -0.76 -1.32 0.00 0.00 176.35 174.13 3fgt s LEU 263 N 1.72 3.95 -0.07 -0.68 1.43 0.48 -3.45 118.68 122.06 3fgt s LEU 263 Ca -0.02 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3fgt s LEU 263 Cb -0.17 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 43.95 3fgt s LEU 263 CO -0.07 0.33 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 3fgt s VAL 264 N -1.08 0.55 0.02 -1.59 1.01 -0.36 -0.01 120.40 118.94 3fgt s VAL 264 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 3fgt s VAL 264 Cb -0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3fgt s VAL 264 CO 0.09 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 175.43 3fgt s ALA 265 N 1.57 0.13 -0.03 5.51 0.00 0.69 -0.91 121.76 128.72 3fgt s ALA 265 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3fgt s ALA 265 Cb -0.13 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3fgt s ALA 265 CO -0.04 -0.16 0.09 -1.58 0.00 0.00 0.00 175.76 174.06 3fgt s HIS 266 N -1.52 -0.09 -0.25 0.00 2.46 -0.39 -1.13 115.29 114.37 3fgt s HIS 266 Ca -0.15 0.23 0.01 0.00 0.47 0.00 0.00 55.06 55.62 3fgt s HIS 266 Cb -0.10 0.02 0.07 0.00 -0.13 0.00 0.00 32.58 32.44 3fgt s HIS 266 CO -0.01 -0.05 -0.03 1.21 -2.47 0.00 0.00 174.74 173.38 3fgt s ASN 267 N 0.11 3.92 0.09 9.88 3.84 0.25 -1.05 114.94 131.98 3fgt s ASN 267 Ca -0.01 -1.27 -0.31 0.00 0.21 0.00 0.00 52.86 51.48 3fgt s ASN 267 Cb -0.01 -1.18 -0.08 0.00 -0.55 0.00 0.00 41.25 39.42 3fgt s ASN 267 CO -0.00 -0.26 1.57 -0.89 -2.79 0.00 0.00 177.10 174.73 3fgt s THR 268 N 1.38 3.02 -0.18 -5.21 2.01 -1.25 -0.66 115.64 114.75 3fgt s THR 268 Ca -0.03 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 3fgt s THR 268 Cb -0.19 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 3fgt s THR 268 CO -0.08 0.02 0.18 0.26 -0.69 0.00 0.00 174.62 174.31 3fgt s TRP 269 N 2.02 3.44 0.22 4.92 0.52 -1.26 0.32 118.94 129.12 3fgt s TRP 269 Ca 0.71 0.43 -0.18 0.00 0.02 0.00 0.00 56.10 57.08 3fgt s TRP 269 Cb -0.40 -2.20 0.02 0.00 -1.15 0.00 0.00 33.47 29.74 3fgt s TRP 269 CO 0.31 0.30 0.57 1.21 0.02 0.00 0.00 176.95 179.36 3fgt s ASN 270 N 0.30 -0.24 0.34 2.95 3.84 0.35 -4.92 114.94 117.56 3fgt s ASN 270 Ca 0.11 -0.58 -0.29 0.00 0.21 0.00 0.00 52.86 52.32 3fgt s ASN 270 Cb -0.12 0.62 -0.11 0.00 -0.55 0.00 0.00 41.25 41.09 3fgt s ASN 270 CO 0.00 -1.14 1.54 -0.55 -2.79 0.00 0.00 177.10 174.16 3fgt s SER 271 N -2.91 6.34 0.54 -4.21 0.15 -1.26 -1.86 113.70 110.49 3fgt s SER 271 Ca 0.12 3.02 0.28 0.00 0.70 0.00 0.00 55.95 60.07 3fgt s SER 271 Cb -0.02 -2.66 1.56 0.00 -1.71 0.00 0.00 66.02 63.19 3fgt s SER 271 CO 0.01 -0.90 2.12 1.88 1.20 0.00 0.00 173.24 177.56 3fgt h TYR 272 N 3.76 0.00 0.00 3.44 0.99 -1.17 -1.52 116.97 122.47 3fgt h TYR 272 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 3fgt h TYR 272 Cb 1.23 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.96 3fgt h TYR 272 CO 0.55 0.09 0.00 0.00 -0.00 0.00 0.00 178.16 178.80 3fgt n GLN 273 N -3.69 0.02 -0.06 4.88 10.64 -1.26 -2.22 117.38 125.69 3fgt n GLN 273 Ca -0.02 0.34 0.11 0.00 -1.83 0.00 0.00 57.00 55.60 3fgt n GLN 273 Cb 0.19 -1.54 0.43 0.00 -0.86 0.00 0.00 30.24 28.46 3fgt n GLN 273 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fgt n ASN 274 N -1.57 1.40 -1.23 2.61 4.13 -0.57 -4.57 115.26 115.46 3fgt n ASN 274 Ca 0.02 -1.63 -0.01 0.00 1.68 0.00 0.00 54.58 54.64 3fgt n ASN 274 Cb 0.12 -0.08 0.01 0.00 -1.54 0.00 0.00 39.78 38.29 3fgt n ASN 274 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3fgt n MET 275 N 0.14 1.08 -3.32 3.52 2.81 -0.94 -4.62 117.12 115.78 3fgt n MET 275 Ca 0.16 -0.17 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 3fgt n MET 275 Cb 0.30 -1.07 -0.08 0.00 -0.71 0.00 0.00 33.22 31.66 3fgt n MET 275 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fgt s LEU 276 N -0.19 4.21 -0.02 4.03 1.43 -1.26 -4.91 118.68 121.96 3fgt s LEU 276 Ca 0.03 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3fgt s LEU 276 Cb 0.03 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3fgt s LEU 276 CO 0.00 -0.32 -0.23 -0.13 0.23 0.00 0.00 176.35 175.90 3fgt s ARG 277 N 2.21 1.98 -0.07 1.70 1.81 -1.26 -4.24 118.95 121.08 3fgt s ARG 277 Ca 0.17 -0.83 0.01 0.00 -1.72 0.00 0.00 55.73 53.35 3fgt s ARG 277 Cb -0.16 -1.86 0.02 0.00 -0.45 0.00 0.00 34.95 32.50 3fgt s ARG 277 CO 0.11 0.47 -0.06 0.42 -0.68 0.00 0.00 175.30 175.56 3fgt s ILE 278 N -0.46 0.77 -0.19 1.52 1.01 -0.50 -4.91 121.20 118.44 3fgt s ILE 278 Ca 0.07 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 3fgt s ILE 278 Cb -0.10 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3fgt s ILE 278 CO -0.00 0.30 0.67 -0.63 0.00 0.00 0.00 174.94 175.28 3fgt s ILE 279 N 1.20 4.99 -0.11 2.92 1.01 -1.26 0.25 121.20 130.20 3fgt s ILE 279 Ca -0.06 1.28 0.02 0.00 0.00 0.00 0.00 60.65 61.89 3fgt s ILE 279 Cb -0.14 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3fgt s ILE 279 CO -0.02 0.09 -0.16 -0.54 0.00 0.00 0.00 174.94 174.31 3fgt s LYS 280 N 1.96 3.14 -0.26 2.79 1.02 -0.05 -4.95 119.74 123.39 3fgt s LYS 280 Ca 0.31 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 3fgt s LYS 280 Cb -0.16 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3fgt s LYS 280 CO 0.11 0.28 0.02 0.21 -0.92 0.00 0.00 175.35 175.05 3fgt s LYS 281 N 0.16 3.21 -0.18 1.68 2.20 -1.26 -1.02 119.74 124.52 3fgt s LYS 281 Ca -0.09 -0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 54.69 3fgt s LYS 281 Cb -0.15 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3fgt s LYS 281 CO 0.05 -0.33 0.07 0.71 -0.36 0.00 0.00 175.35 175.49 3fgt s TYR 282 N 1.48 3.27 -0.42 4.03 4.12 0.45 -4.99 117.35 125.30 3fgt s TYR 282 Ca 0.04 0.10 0.04 0.00 0.02 0.00 0.00 57.07 57.26 3fgt s TYR 282 Cb -0.16 -2.08 0.11 0.00 -1.52 0.00 0.00 41.96 38.31 3fgt s TYR 282 CO -0.00 0.18 0.14 1.03 0.02 0.00 0.00 175.55 176.92 3fgt s ARG 283 N 0.34 1.66 0.47 -0.62 0.52 -1.26 -1.95 118.95 118.11 3fgt s ARG 283 Ca 0.04 -2.17 0.08 0.00 -0.52 0.00 0.00 55.73 53.15 3fgt s ARG 283 Cb -0.12 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.16 3fgt s ARG 283 CO -0.00 -1.02 0.53 -0.51 0.02 0.00 0.00 175.30 174.33 3fgt s LEU 284 N 0.41 3.34 -0.35 2.53 1.43 -0.05 -5.02 118.68 120.98 3fgt s LEU 284 Ca 0.14 -0.72 0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3fgt s LEU 284 Cb -0.22 -2.07 0.44 0.00 0.03 0.00 0.00 46.19 44.37 3fgt s LEU 284 CO -0.05 -0.89 0.96 0.00 0.23 0.00 0.00 176.35 176.60 3fgt n GLN 285 N -1.82 1.51 -2.85 1.70 1.13 -1.26 -4.72 117.38 111.07 3fgt n GLN 285 Ca 0.07 -3.48 -0.32 0.00 -1.94 0.00 0.00 57.00 51.33 3fgt n GLN 285 Cb 0.61 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.46 3fgt n GLN 285 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3fgt s PHE 286 N -3.13 3.38 0.27 1.08 2.99 -1.26 -4.97 117.98 116.33 3fgt s PHE 286 Ca 0.32 1.38 0.09 0.00 0.00 0.00 0.00 56.93 58.72 3fgt s PHE 286 Cb 0.44 -2.68 -0.04 0.00 0.00 0.00 0.00 43.02 40.73 3fgt s PHE 286 CO -0.01 -0.09 0.04 1.03 -0.00 0.00 0.00 175.22 176.19 3fgt s ARG 287 N -3.37 2.41 0.32 0.44 0.52 -1.26 -0.53 118.95 117.48 3fgt s ARG 287 Ca 0.57 -1.36 0.08 0.00 -0.52 0.00 0.00 55.73 54.51 3fgt s ARG 287 Cb -0.10 -2.23 0.55 0.00 0.52 0.00 0.00 34.95 33.69 3fgt s ARG 287 CO 0.20 0.36 1.76 0.93 0.02 0.00 0.00 175.30 178.57 3fgt h GLU 288 N 1.80 0.20 -4.97 3.54 5.08 -1.45 -3.43 114.58 115.34 3fgt h GLU 288 Ca -0.45 -0.08 -0.40 0.00 -1.00 0.00 0.00 59.36 57.43 3fgt h GLU 288 Cb 1.25 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 3fgt h GLU 288 CO 0.61 0.54 -0.60 0.20 -1.00 0.00 0.00 179.01 178.75 3fgt s GLY 289 N -4.20 1.92 0.00 -3.84 0.00 -1.26 -5.03 107.32 94.91 3fgt s GLY 289 Ca -0.04 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.83 3fgt s GLY 289 CO 0.76 -1.66 0.46 -1.55 0.00 0.00 0.00 173.10 171.10 3fgt n PRO 290 N -0.56 0.48 -4.36 2.90 -0.04 -1.26 -4.72 135.00 127.43 3fgt n PRO 290 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 3fgt n PRO 290 Cb 0.66 -1.03 -0.13 0.00 -0.04 0.00 0.00 33.50 32.96 3fgt n PRO 290 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3fgt s GLN 291 N -1.89 1.01 0.22 0.54 1.11 -1.26 -5.04 119.66 114.36 3fgt s GLN 291 Ca 0.00 -0.86 0.19 0.00 0.01 0.00 0.00 55.36 54.70 3fgt s GLN 291 Cb 0.00 -1.06 0.90 0.00 -1.01 0.00 0.00 33.01 31.84 3fgt s GLN 291 CO 0.00 0.26 1.59 -1.91 0.01 0.00 0.00 175.29 175.24 3fgt n GLU 292 N 1.70 0.13 0.20 2.91 4.07 -1.26 -1.50 120.64 126.90 3fgt n GLU 292 Ca -0.19 0.48 0.13 0.00 -0.06 0.00 0.00 57.16 57.52 3fgt n GLU 292 Cb 0.54 -1.82 0.28 0.00 -0.06 0.00 0.00 31.44 30.38 3fgt n GLU 292 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3fgt h GLU 293 N 0.00 0.00 -6.88 5.31 3.07 -1.96 -3.45 114.58 110.67 3fgt h GLU 293 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 3fgt h GLU 293 Cb 0.19 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.17 3fgt h GLU 293 CO 0.00 0.00 0.66 0.71 -1.40 0.00 0.00 179.01 178.98 3fgt s TYR 294 N -3.24 3.00 0.72 4.33 1.51 -0.56 -4.99 117.35 118.11 3fgt s TYR 294 Ca 0.07 1.37 -0.15 0.00 -1.01 0.00 0.00 57.07 57.35 3fgt s TYR 294 Cb 0.07 -3.72 0.03 0.00 -0.11 0.00 0.00 41.96 38.23 3fgt s TYR 294 CO 0.64 -2.01 1.20 -2.14 -1.11 0.00 0.00 175.55 172.12 3fgt s PRO 295 N -1.75 2.23 0.33 -1.71 0.02 -1.26 -4.66 135.00 128.20 3fgt s PRO 295 Ca 0.50 1.72 -0.28 0.00 0.02 0.00 0.00 61.00 62.96 3fgt s PRO 295 Cb -0.41 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.14 3fgt s PRO 295 CO 0.53 -1.76 1.30 1.28 -0.33 0.00 0.00 177.00 178.02 3fgt n LEU 296 N -2.65 3.51 -4.73 -5.54 4.77 -1.26 -1.27 117.00 109.82 3fgt n LEU 296 Ca 0.13 1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 56.97 3fgt n LEU 296 Cb 0.50 -1.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 3fgt n LEU 296 CO 0.47 -0.49 0.81 0.68 -1.33 0.00 0.00 177.39 177.54 3fgt s VAL 297 N -1.02 2.32 0.47 4.08 -7.23 0.31 -4.72 120.40 114.61 3fgt s VAL 297 Ca 0.56 0.17 0.14 0.00 -1.81 0.00 0.00 61.98 61.04 3fgt s VAL 297 Cb -0.57 -2.80 0.22 0.00 0.56 0.00 0.00 36.38 33.79 3fgt s VAL 297 CO 0.61 -0.08 2.06 0.00 -0.31 0.00 0.00 175.10 177.38 3fgt h ALA 298 N -0.11 1.81 -1.12 1.32 0.00 -1.73 -3.28 119.26 116.15 3fgt h ALA 298 Ca -0.48 -0.09 -0.65 0.00 0.00 0.00 0.00 54.91 53.69 3fgt h ALA 298 Cb 1.30 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.70 3fgt h ALA 298 CO 0.51 0.14 0.02 0.41 0.00 0.00 0.00 179.25 180.33 3fgt n GLY 299 N -1.26 5.94 0.14 0.00 0.00 0.82 -3.37 105.19 107.47 3fgt n GLY 299 Ca -0.02 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.41 3fgt n GLY 299 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fgt h ASN 300 N 2.50 0.00 -3.23 1.61 2.35 -1.80 -3.41 115.58 113.59 3fgt h ASN 300 Ca 0.44 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.56 3fgt h ASN 300 Cb 0.79 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.01 3fgt h ASN 300 CO 1.12 0.58 -0.58 0.20 -1.65 0.00 0.00 177.43 177.10 3fgt s ASN 301 N -6.71 5.50 -0.25 5.81 0.01 -1.26 -0.87 114.94 117.17 3fgt s ASN 301 Ca -0.01 0.10 -0.20 0.00 -0.71 0.00 0.00 52.86 52.05 3fgt s ASN 301 Cb 0.12 -1.84 0.07 0.00 0.41 0.00 0.00 41.25 40.01 3fgt s ASN 301 CO 0.75 0.24 0.65 -1.48 -1.51 0.00 0.00 177.10 175.75 3fgt s LEU 302 N -0.06 -0.59 -0.06 0.60 2.34 -0.82 -0.29 118.68 119.80 3fgt s LEU 302 Ca 0.05 1.34 0.05 0.00 0.06 0.00 0.00 54.13 55.64 3fgt s LEU 302 Cb -0.12 2.23 -0.02 0.00 -0.56 0.00 0.00 46.19 47.72 3fgt s LEU 302 CO 0.01 -0.23 -0.20 -0.69 -1.06 0.00 0.00 176.35 174.18 3fgt s VAL 303 N 0.74 2.49 -0.03 1.48 1.01 -0.42 -0.41 120.40 125.25 3fgt s VAL 303 Ca -0.03 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 3fgt s VAL 303 Cb -0.05 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.44 3fgt s VAL 303 CO -0.05 0.57 0.52 0.72 0.00 0.00 0.00 175.10 176.86 3fgt s PHE 304 N -0.32 -0.45 0.14 5.22 -0.12 -0.19 -0.45 117.98 121.81 3fgt s PHE 304 Ca 0.02 0.73 -0.30 0.00 -0.05 0.00 0.00 56.93 57.32 3fgt s PHE 304 Cb -0.13 0.28 -0.07 0.00 -0.63 0.00 0.00 43.02 42.48 3fgt s PHE 304 CO 0.02 -0.53 1.02 -1.54 -0.05 0.00 0.00 175.22 174.15 3fgt s SER 305 N -1.32 7.40 0.00 1.98 1.04 -1.14 -0.87 113.70 120.79 3fgt s SER 305 Ca -0.12 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.23 3fgt s SER 305 Cb -0.02 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3fgt s SER 305 CO 0.07 -0.14 0.00 -0.24 0.98 0.00 0.00 173.24 173.91 3fgt n SER 306 N 2.65 0.00 -3.85 7.02 2.88 0.14 -4.31 113.62 118.15 3fgt n SER 306 Ca 0.03 -0.29 -0.09 0.00 -1.33 0.00 0.00 58.87 57.18 3fgt n SER 306 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 3fgt n SER 306 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3fgt s TYR 307 N -3.70 0.13 0.25 0.66 1.51 -1.25 -1.41 117.35 113.55 3fgt s TYR 307 Ca 0.00 -0.54 -0.31 0.00 -1.01 0.00 0.00 57.07 55.21 3fgt s TYR 307 Cb 0.00 -0.04 -0.13 0.00 -0.11 0.00 0.00 41.96 41.68 3fgt s TYR 307 CO 0.00 -0.54 1.40 -2.30 -1.11 0.00 0.00 175.55 173.00 3fgt n PRO 308 N -0.01 2.09 -1.04 -1.71 -0.02 -1.26 -2.45 135.00 130.59 3fgt n PRO 308 Ca -0.15 0.74 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 3fgt n PRO 308 Cb 0.62 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3fgt n PRO 308 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fgt n GLY 309 N 2.00 0.36 3.19 -1.23 0.00 -1.26 -4.95 105.19 103.30 3fgt n GLY 309 Ca 0.11 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3fgt n GLY 309 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fgt s THR 310 N -1.58 3.42 -0.29 2.61 2.01 -1.03 -4.97 115.64 115.82 3fgt s THR 310 Ca 0.00 -1.57 0.02 0.00 0.31 0.00 0.00 61.69 60.45 3fgt s THR 310 Cb 0.00 -3.11 0.37 0.00 0.01 0.00 0.00 72.50 69.77 3fgt s THR 310 CO 0.00 -0.38 1.63 2.30 -0.69 0.00 0.00 174.62 177.48 3fgt n ILE 311 N 4.69 2.41 -3.71 1.82 -5.35 -1.26 -4.54 119.36 113.42 3fgt n ILE 311 Ca -0.09 -1.27 -0.08 0.00 -0.27 0.00 0.00 62.75 61.04 3fgt n ILE 311 Cb 0.43 -0.80 0.01 0.00 -1.74 0.00 0.00 39.64 37.54 3fgt n ILE 311 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 3fgt n PHE 312 N -0.36 -1.95 0.15 4.28 -1.74 -1.26 -5.03 117.46 111.55 3fgt n PHE 312 Ca 0.35 -1.60 -0.07 0.00 -0.56 0.00 0.00 57.45 55.58 3fgt n PHE 312 Cb 1.08 0.70 -0.03 0.00 1.52 0.00 0.00 39.48 42.74 3fgt n PHE 312 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3fgt h SER 313 N 1.61 -0.38 0.00 5.98 0.87 -1.86 -3.43 113.55 116.35 3fgt h SER 313 Ca -0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3fgt h SER 313 Cb 1.00 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3fgt h SER 313 CO 0.34 -0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.21 3fgt n GLY 314 N 0.45 3.19 0.15 5.77 0.00 -1.26 -4.38 105.19 109.11 3fgt n GLY 314 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3fgt n GLY 314 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fgt h ASP 315 N 0.00 -0.24 -3.27 1.61 3.32 -1.92 -3.49 116.42 112.43 3fgt h ASP 315 Ca 0.00 -0.29 -0.65 0.00 0.02 0.00 0.00 57.03 56.12 3fgt h ASP 315 Cb 0.00 0.06 -0.11 0.00 0.22 0.00 0.00 39.33 39.51 3fgt h ASP 315 CO 0.00 0.25 -0.63 -1.81 -1.72 0.00 0.00 179.24 175.33 3fgt s ASP 316 N -5.34 5.26 -0.22 6.45 1.11 -1.25 -4.77 116.67 117.92 3fgt s ASP 316 Ca -0.13 -0.10 -0.07 0.00 0.18 0.00 0.00 52.55 52.44 3fgt s ASP 316 Cb 0.01 -1.33 0.10 0.00 1.07 0.00 0.00 42.92 42.77 3fgt s ASP 316 CO 0.49 0.18 0.44 0.12 1.18 0.00 0.00 175.17 177.58 3fgt s PHE 317 N -1.34 -0.88 0.01 4.23 5.36 -1.25 -2.15 117.98 121.96 3fgt s PHE 317 Ca 0.27 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 57.81 3fgt s PHE 317 Cb -0.12 0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.89 3fgt s PHE 317 CO 0.20 -0.54 -0.07 0.71 -1.46 0.00 0.00 175.22 174.06 3fgt s TYR 318 N 2.64 0.64 -0.18 10.12 1.51 0.43 -2.86 117.35 129.66 3fgt s TYR 318 Ca -0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3fgt s TYR 318 Cb -0.12 -0.40 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 3fgt s TYR 318 CO -0.14 -0.03 -0.17 0.42 -1.11 0.00 0.00 175.55 174.52 3fgt s ILE 319 N -0.57 2.34 0.03 2.71 1.01 0.40 -1.23 121.20 125.89 3fgt s ILE 319 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3fgt s ILE 319 Cb -0.05 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3fgt s ILE 319 CO 0.00 0.52 -0.02 -0.76 0.00 0.00 0.00 174.94 174.68 3fgt s LEU 320 N 1.22 3.41 0.00 2.97 1.43 0.51 -1.31 118.68 126.92 3fgt s LEU 320 Ca 0.03 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 3fgt s LEU 320 Cb -0.14 -2.03 0.36 0.00 0.03 0.00 0.00 46.19 44.42 3fgt s LEU 320 CO -0.09 0.25 1.12 0.61 0.23 0.00 0.00 176.35 178.47 3fgt n GLY 321 N 1.15 -0.57 0.16 -3.19 0.00 0.61 -1.35 105.19 102.00 3fgt n GLY 321 Ca -0.13 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 45.96 3fgt n GLY 321 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fgt n SER 322 N -1.33 0.48 0.00 1.61 3.41 -1.22 -4.88 113.62 111.70 3fgt n SER 322 Ca 0.03 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 3fgt n SER 322 Cb 0.06 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3fgt n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgt n GLY 323 N 0.91 0.78 3.88 5.00 0.00 -0.45 -4.82 105.19 110.49 3fgt n GLY 323 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3fgt n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgt s LEU 324 N 0.00 4.30 -0.15 0.99 1.43 -1.23 -0.76 118.68 123.26 3fgt s LEU 324 Ca 0.00 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3fgt s LEU 324 Cb 0.00 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.07 3fgt s LEU 324 CO 0.00 0.10 -0.18 -0.69 0.23 0.00 0.00 176.35 175.81 3fgt s VAL 325 N -1.54 1.83 -0.08 -1.59 1.01 0.92 -0.36 120.40 120.58 3fgt s VAL 325 Ca 0.37 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3fgt s VAL 325 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3fgt s VAL 325 CO 0.21 0.50 -0.16 0.42 0.00 0.00 0.00 175.10 176.08 3fgt s THR 326 N 1.22 2.90 0.10 3.92 -4.23 -0.36 -0.63 115.64 118.55 3fgt s THR 326 Ca 0.01 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 59.61 3fgt s THR 326 Cb -0.14 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.58 3fgt s THR 326 CO -0.09 0.56 0.36 -1.48 -0.54 0.00 0.00 174.62 173.44 3fgt s LEU 327 N -0.24 0.59 0.07 4.79 2.34 -0.84 -0.43 118.68 124.97 3fgt s LEU 327 Ca 0.01 -0.29 -0.05 0.00 0.06 0.00 0.00 54.13 53.86 3fgt s LEU 327 Cb -0.13 1.66 -0.02 0.00 -0.56 0.00 0.00 46.19 47.14 3fgt s LEU 327 CO 0.03 -0.78 0.09 -1.83 -1.06 0.00 0.00 176.35 172.80 3fgt s GLU 328 N -3.43 0.74 0.13 1.48 4.04 -0.91 -0.38 118.70 120.36 3fgt s GLU 328 Ca 0.01 -1.09 0.08 0.00 0.04 0.00 0.00 54.97 54.01 3fgt s GLU 328 Cb 0.02 0.28 -0.04 0.00 0.02 0.00 0.00 34.13 34.41 3fgt s GLU 328 CO -0.09 -0.20 -0.19 0.95 -1.84 0.00 0.00 175.26 173.89 3fgt s THR 329 N -3.89 1.72 -0.10 1.83 -4.23 -0.77 -3.85 115.64 106.35 3fgt s THR 329 Ca 0.06 -1.71 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 3fgt s THR 329 Cb 0.06 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3fgt s THR 329 CO -0.10 -0.19 0.50 -0.89 -0.54 0.00 0.00 174.62 173.39 3fgt s THR 330 N -1.59 5.15 -0.19 3.99 2.01 -1.26 -0.17 115.64 123.57 3fgt s THR 330 Ca 0.10 1.00 0.16 0.00 0.31 0.00 0.00 61.69 63.26 3fgt s THR 330 Cb -0.08 -3.83 -0.23 0.00 0.01 0.00 0.00 72.50 68.37 3fgt s THR 330 CO 0.05 0.35 0.04 2.30 -0.69 0.00 0.00 174.62 176.67 3fgt n ILE 331 N 3.48 1.32 -4.78 1.82 -5.35 0.15 -4.16 119.36 111.84 3fgt n ILE 331 Ca -0.07 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 3fgt n ILE 331 Cb 0.52 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 3fgt n ILE 331 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fgt n GLY 332 N 1.87 0.42 3.43 3.28 0.00 0.13 -4.89 105.19 109.43 3fgt n GLY 332 Ca -0.32 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 3fgt n GLY 332 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fgt s ASN 333 N -4.00 -0.66 -0.01 1.61 3.04 -1.26 -4.84 114.94 108.82 3fgt s ASN 333 Ca 0.00 1.14 0.04 0.00 0.04 0.00 0.00 52.86 54.08 3fgt s ASN 333 Cb 0.00 1.06 0.10 0.00 -1.54 0.00 0.00 41.25 40.87 3fgt s ASN 333 CO 0.00 -0.21 1.08 0.29 -3.04 0.00 0.00 177.10 175.22 3fgt n LYS 334 N 3.86 2.88 -3.51 0.43 5.02 0.05 -4.92 118.16 121.97 3fgt n LYS 334 Ca -0.20 -1.72 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 3fgt n LYS 334 Cb 0.57 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.39 3fgt n LYS 334 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fgt s ASN 335 N -1.11 5.82 0.62 4.39 3.84 -1.12 -4.71 114.94 122.67 3fgt s ASN 335 Ca 0.08 -1.70 0.37 0.00 0.21 0.00 0.00 52.86 51.82 3fgt s ASN 335 Cb 0.05 -2.06 2.08 0.00 -0.55 0.00 0.00 41.25 40.77 3fgt s ASN 335 CO 0.04 -0.67 2.29 1.55 -2.79 0.00 0.00 177.10 177.52 3fgt h PRO 336 N 8.55 0.00 0.00 0.43 0.13 -1.94 -1.28 132.00 137.89 3fgt h PRO 336 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3fgt h PRO 336 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3fgt h PRO 336 CO 0.86 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 3fgt n ALA 337 N -2.19 1.90 0.65 -0.56 0.00 -1.26 -2.72 120.51 116.32 3fgt n ALA 337 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.45 3fgt n ALA 337 Cb 0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 3fgt n ALA 337 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fgt n LEU 338 N -1.34 0.64 0.31 0.00 4.77 -0.48 -4.30 117.00 116.60 3fgt n LEU 338 Ca 0.07 -0.16 0.19 0.00 -0.03 0.00 0.00 56.01 56.08 3fgt n LEU 338 Cb 0.15 -0.06 0.98 0.00 -2.33 0.00 0.00 43.42 42.15 3fgt n LEU 338 CO 0.14 0.11 1.10 -0.50 -1.33 0.00 0.00 177.39 176.90 3fgt h TRP 339 N 0.00 0.00 0.00 -1.77 -0.00 -1.66 -0.72 115.95 111.80 3fgt h TRP 339 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3fgt h TRP 339 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.84 3fgt h TRP 339 CO 0.00 0.02 0.00 0.36 -0.00 0.00 0.00 178.44 178.82 3fgt n LYS 340 N -3.22 0.00 0.00 0.49 2.85 -1.26 -0.70 118.16 116.32 3fgt n LYS 340 Ca -0.02 0.34 0.13 0.00 -1.05 0.00 0.00 58.31 57.71 3fgt n LYS 340 Cb 0.16 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.40 3fgt n LYS 340 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3fgt n TYR 341 N -1.50 0.00 -3.03 5.58 0.53 -0.27 -4.66 117.16 113.80 3fgt n TYR 341 Ca 0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.47 3fgt n TYR 341 Cb 0.11 -0.20 -0.06 0.00 -1.03 0.00 0.00 39.34 38.17 3fgt n TYR 341 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3fgt s VAL 342 N -2.73 4.70 0.03 -0.72 1.01 0.12 -4.64 120.40 118.17 3fgt s VAL 342 Ca 0.19 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3fgt s VAL 342 Cb 0.19 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3fgt s VAL 342 CO 0.59 -0.78 -0.10 -1.10 0.00 0.00 0.00 175.10 173.71 3fgt s GLN 343 N 3.13 0.68 0.33 2.72 -1.52 -1.26 -5.05 119.66 118.69 3fgt s GLN 343 Ca 0.24 -0.66 0.14 0.00 -1.95 0.00 0.00 55.36 53.13 3fgt s GLN 343 Cb -0.14 -0.60 0.58 0.00 -0.22 0.00 0.00 33.01 32.62 3fgt s GLN 343 CO 0.18 0.14 1.72 -1.00 -0.25 0.00 0.00 175.29 176.08 3fgt h PRO 344 N 4.95 0.00 -5.55 2.91 0.13 -1.96 -3.37 132.00 129.11 3fgt h PRO 344 Ca -0.35 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.13 3fgt h PRO 344 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 3fgt h PRO 344 CO 0.44 0.47 -0.55 -0.65 -0.23 0.00 0.00 178.00 177.48 3fgt s GLN 345 N -3.78 3.60 0.00 0.86 1.11 -1.26 -4.37 119.66 115.83 3fgt s GLN 345 Ca -0.01 -0.29 0.00 0.00 0.01 0.00 0.00 55.36 55.07 3fgt s GLN 345 Cb 0.13 -3.12 0.00 0.00 -1.01 0.00 0.00 33.01 29.00 3fgt s GLN 345 CO 0.73 0.53 0.00 0.41 0.01 0.00 0.00 175.29 176.96 3fgt n GLY 346 N 2.75 0.74 2.89 3.09 0.00 -1.26 -5.03 105.19 108.36 3fgt n GLY 346 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 3fgt n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgt s VAL 348 N 1.41 5.18 0.60 0.00 1.01 -0.25 -4.91 120.40 123.45 3fgt s VAL 348 Ca -0.02 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 3fgt s VAL 348 Cb -0.13 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3fgt s VAL 348 CO -0.04 0.51 1.30 -0.76 0.00 0.00 0.00 175.10 176.11 3fgt s LEU 349 N -0.10 3.68 0.21 3.92 1.43 -1.26 -3.90 118.68 122.67 3fgt s LEU 349 Ca 0.09 2.64 -0.09 0.00 -1.03 0.00 0.00 54.13 55.74 3fgt s LEU 349 Cb -0.12 -4.50 0.30 0.00 0.03 0.00 0.00 46.19 41.91 3fgt s LEU 349 CO 0.00 -1.79 1.73 -0.08 0.23 0.00 0.00 176.35 176.44 3fgt h GLU 350 N 0.92 0.36 -0.91 1.70 4.22 -1.93 -2.29 114.58 116.65 3fgt h GLU 350 Ca -0.51 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.00 3fgt h GLU 350 Cb 1.32 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 3fgt h GLU 350 CO 0.55 0.24 0.56 0.11 -2.18 0.00 0.00 179.01 178.29 3fgt h TRP 351 N 0.38 1.02 -0.19 0.92 5.08 -1.91 0.11 115.95 121.35 3fgt h TRP 351 Ca 0.32 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 60.27 3fgt h TRP 351 Cb 0.43 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 3fgt h TRP 351 CO -0.19 0.45 -0.06 0.82 -1.28 0.00 0.00 178.44 178.18 3fgt h ILE 352 N 0.94 1.29 -0.95 0.12 2.04 -1.82 -1.91 117.51 117.23 3fgt h ILE 352 Ca 0.43 -1.07 0.09 0.00 1.00 0.00 0.00 64.86 65.31 3fgt h ILE 352 Cb 0.34 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3fgt h ILE 352 CO -0.23 0.32 0.59 0.03 0.00 0.00 0.00 178.15 178.87 3fgt h ARG 353 N 0.09 0.98 0.23 2.37 3.08 -0.69 0.98 114.38 121.41 3fgt h ARG 353 Ca 0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3fgt h ARG 353 Cb 0.52 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3fgt h ARG 353 CO 0.02 0.65 -0.11 -0.97 -1.07 0.00 0.00 179.97 178.49 3fgt h ASN 354 N 1.01 -0.26 -0.15 7.04 -1.24 -0.77 0.71 115.58 121.91 3fgt h ASN 354 Ca 0.44 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.42 3fgt h ASN 354 Cb 0.33 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3fgt h ASN 354 CO -0.22 -0.14 0.09 0.58 -1.29 0.00 0.00 177.43 176.45 3fgt h VAL 355 N -0.36 1.07 0.25 2.57 2.07 -0.58 -0.12 116.25 121.13 3fgt h VAL 355 Ca -0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3fgt h VAL 355 Cb 0.28 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3fgt h VAL 355 CO 0.05 0.06 -0.21 0.58 0.02 0.00 0.00 177.57 178.08 3fgt h VAL 356 N 0.18 0.55 -0.65 2.57 2.07 -0.79 -1.60 116.25 118.58 3fgt h VAL 356 Ca 0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 3fgt h VAL 356 Cb 0.02 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 3fgt h VAL 356 CO -0.01 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.83 3fgt h ALA 357 N 0.23 0.86 -0.43 1.67 0.00 -0.76 -1.05 119.26 119.78 3fgt h ALA 357 Ca -0.01 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3fgt h ALA 357 Cb 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3fgt h ALA 357 CO -0.03 -0.19 0.29 -0.91 0.00 0.00 0.00 179.25 178.41 3fgt h ASN 358 N 0.42 0.25 0.15 0.00 -0.26 -0.66 -1.53 115.58 113.95 3fgt h ASN 358 Ca 0.34 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.81 3fgt h ASN 358 Cb 0.44 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.66 3fgt h ASN 358 CO -0.33 0.16 -1.30 -0.09 -1.06 0.00 0.00 177.43 174.80 3fgt h ARG 359 N 0.28 0.32 0.01 0.81 2.43 -0.33 -3.37 114.38 114.53 3fgt h ARG 359 Ca 0.19 -0.54 -0.26 0.00 -0.81 0.00 0.00 59.98 58.56 3fgt h ARG 359 Cb 0.39 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3fgt h ARG 359 CO -0.04 1.26 -1.42 -0.07 -1.51 0.00 0.00 179.97 178.18 3fgt h LEU 360 N -0.21 0.04 -9.73 3.80 3.38 -1.08 0.24 115.31 111.75 3fgt h LEU 360 Ca -0.26 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.12 3fgt h LEU 360 Cb 1.82 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 42.60 3fgt h LEU 360 CO 0.13 1.06 0.63 0.00 0.09 0.00 0.00 178.44 180.34 3fgt s ALA 361 N -2.64 3.50 -0.41 1.53 0.00 -0.59 -4.46 121.76 118.69 3fgt s ALA 361 Ca -0.03 1.11 0.12 0.00 0.00 0.00 0.00 51.96 53.16 3fgt s ALA 361 Cb 0.09 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 3fgt s ALA 361 CO 0.82 -0.51 0.44 -0.11 0.00 0.00 0.00 175.76 176.41 3fgt n LEU 362 N 2.09 0.40 -4.06 0.00 7.94 -1.26 -4.50 117.00 117.62 3fgt n LEU 362 Ca 0.04 -0.35 -0.10 0.00 -1.11 0.00 0.00 56.01 54.49 3fgt n LEU 362 Cb 0.43 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.32 3fgt n LEU 362 CO 0.58 0.10 0.07 1.51 -1.11 0.00 0.00 177.39 178.54 3fgt s ASP 363 N -2.53 0.08 0.31 1.96 3.84 -1.26 -4.88 116.67 114.19 3fgt s ASP 363 Ca 0.02 -1.10 0.00 0.00 -0.00 0.00 0.00 52.55 51.47 3fgt s ASP 363 Cb 0.09 0.55 0.51 0.00 -1.38 0.00 0.00 42.92 42.68 3fgt s ASP 363 CO 0.51 -1.09 1.91 1.23 -0.00 0.00 0.00 175.17 177.73 3fgt h GLY 364 N 2.33 0.88 0.84 2.12 0.00 -1.89 -1.75 103.07 105.60 3fgt h GLY 364 Ca -0.29 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 3fgt h GLY 364 CO 0.40 0.40 0.02 0.00 0.00 0.00 0.00 176.54 177.36 3fgt h ALA 365 N 1.47 0.30 -0.07 3.60 0.00 -1.97 -1.32 119.26 121.27 3fgt h ALA 365 Ca 0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3fgt h ALA 365 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fgt h ALA 365 CO -0.02 -0.01 -0.51 1.79 0.00 0.00 0.00 179.25 180.50 3fgt h THR 366 N 0.17 1.35 0.35 0.00 1.35 -1.95 0.09 112.91 114.28 3fgt h THR 366 Ca 0.07 -1.76 -0.02 0.00 -0.55 0.00 0.00 66.41 64.15 3fgt h THR 366 Cb 0.36 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3fgt h THR 366 CO 0.01 0.52 -0.17 -0.25 -0.25 0.00 0.00 175.52 175.38 3fgt h TRP 367 N 0.16 -0.44 -0.82 4.73 7.01 -1.11 0.93 115.95 126.41 3fgt h TRP 367 Ca 0.00 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.13 3fgt h TRP 367 Cb 0.95 0.15 -0.09 0.00 -2.10 0.00 0.00 29.16 28.07 3fgt h TRP 367 CO 0.01 -0.23 0.42 0.00 -2.79 0.00 0.00 178.44 175.85 3fgt h ALA 368 N 0.09 1.20 -0.41 2.65 0.00 -1.13 0.32 119.26 121.98 3fgt h ALA 368 Ca -0.05 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3fgt h ALA 368 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fgt h ALA 368 CO 0.08 -0.07 0.02 0.22 0.00 0.00 0.00 179.25 179.49 3fgt h ASP 369 N 0.62 0.69 -0.04 0.00 3.58 -0.45 -2.42 116.42 118.41 3fgt h ASP 369 Ca 0.43 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3fgt h ASP 369 Cb 0.58 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 3fgt h ASP 369 CO -0.34 0.82 -0.01 0.58 -2.88 0.00 0.00 179.24 177.41 3fgt h VAL 370 N 0.54 1.31 -0.69 2.25 2.07 -0.64 -3.34 116.25 117.75 3fgt h VAL 370 Ca 0.12 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3fgt h VAL 370 Cb 0.45 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3fgt h VAL 370 CO 0.02 0.26 0.37 0.15 0.02 0.00 0.00 177.57 178.39 3fgt h PHE 371 N -0.30 0.94 0.00 1.57 3.57 -0.87 -2.84 116.94 119.01 3fgt h PHE 371 Ca 0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3fgt h PHE 371 Cb 0.42 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3fgt h PHE 371 CO 0.06 0.66 0.00 0.36 -2.23 0.00 0.00 178.31 177.16 3fgt n LYS 372 N -4.37 0.07 -2.31 1.11 2.85 -0.92 -4.75 118.16 109.85 3fgt n LYS 372 Ca 0.07 0.13 -0.39 0.00 -1.05 0.00 0.00 58.31 57.07 3fgt n LYS 372 Cb 0.10 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 3fgt n LYS 372 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3fgt s ARG 373 N -3.05 4.31 -1.46 -1.58 0.52 -1.07 -2.96 118.95 113.66 3fgt s ARG 373 Ca 0.11 1.92 -0.07 0.00 -0.52 0.00 0.00 55.73 57.17 3fgt s ARG 373 Cb 0.15 -2.93 0.05 0.00 0.52 0.00 0.00 34.95 32.74 3fgt s ARG 373 CO 0.48 -0.12 0.70 1.19 0.02 0.00 0.00 175.30 177.57 3fgt n PHE 374 N 0.59 -1.91 -1.66 -0.53 3.01 -1.26 -4.74 117.46 110.96 3fgt n PHE 374 Ca 0.02 0.82 -0.51 0.00 1.01 0.00 0.00 57.45 58.79 3fgt n PHE 374 Cb 0.45 -3.86 -0.06 0.00 -0.01 0.00 0.00 39.48 36.00 3fgt n PHE 374 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3fgt n ASN 375 N -2.91 2.99 0.11 4.37 5.15 -1.16 -1.09 115.26 122.71 3fgt n ASN 375 Ca -0.15 0.90 0.13 0.00 -0.60 0.00 0.00 54.58 54.85 3fgt n ASN 375 Cb 0.61 -1.30 0.29 0.00 -0.53 0.00 0.00 39.78 38.85 3fgt n ASN 375 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3fgt h SER 376 N 9.30 0.00 -0.86 1.20 4.64 -1.88 -3.45 113.55 122.50 3fgt h SER 376 Ca -0.45 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 60.53 3fgt h SER 376 Cb 1.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 3fgt h SER 376 CO 0.96 0.03 -0.27 0.61 -0.87 0.00 0.00 176.83 177.30 3fgt n GLY 377 N 1.29 1.14 3.21 -0.77 0.00 -1.26 -4.24 105.19 104.56 3fgt n GLY 377 Ca 0.04 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 3fgt n GLY 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fgt s THR 378 N -2.53 1.30 -1.15 2.61 -4.23 -1.26 -4.30 115.64 106.08 3fgt s THR 378 Ca 0.00 -1.43 -0.23 0.00 -1.18 0.00 0.00 61.69 58.85 3fgt s THR 378 Cb 0.00 -1.27 -0.00 0.00 1.34 0.00 0.00 72.50 72.57 3fgt s THR 378 CO 0.00 -0.21 0.78 0.00 -0.54 0.00 0.00 174.62 174.65 3fgt n TYR 379 N 1.11 -1.84 -2.25 3.99 -0.00 -1.26 -4.35 117.16 112.56 3fgt n TYR 379 Ca -0.20 0.40 -0.42 0.00 -0.00 0.00 0.00 57.90 57.69 3fgt n TYR 379 Cb 0.54 -3.36 -0.03 0.00 -0.00 0.00 0.00 39.34 36.50 3fgt n TYR 379 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3fgt s ASN 380 N -3.48 6.04 0.24 2.98 0.01 -1.26 -4.95 114.94 114.52 3fgt s ASN 380 Ca 0.47 0.67 0.10 0.00 -0.71 0.00 0.00 52.86 53.40 3fgt s ASN 380 Cb -0.18 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 3fgt s ASN 380 CO 0.88 -1.70 -0.18 0.20 -1.51 0.00 0.00 177.10 174.78 3fgt s ASN 381 N 5.06 3.21 -0.31 -1.22 0.01 -1.23 0.31 114.94 120.77 3fgt s ASN 381 Ca 0.63 -1.01 -0.18 0.00 -0.71 0.00 0.00 52.86 51.60 3fgt s ASN 381 Cb -0.14 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.26 3fgt s ASN 381 CO 0.29 -0.02 0.49 -1.58 -1.51 0.00 0.00 177.10 174.77 3fgt s GLN 382 N -3.45 3.83 -0.04 -0.60 0.74 0.76 -1.88 119.66 119.02 3fgt s GLN 382 Ca 0.26 0.03 -0.14 0.00 0.05 0.00 0.00 55.36 55.56 3fgt s GLN 382 Cb -0.04 -3.73 -0.05 0.00 1.10 0.00 0.00 33.01 30.28 3fgt s GLN 382 CO 0.12 -0.49 0.36 -1.58 -0.55 0.00 0.00 175.29 173.14 3fgt s TRP 383 N 2.32 3.68 -0.14 1.67 0.52 0.75 -1.86 118.94 125.89 3fgt s TRP 383 Ca 0.19 0.89 -0.00 0.00 0.02 0.00 0.00 56.10 57.19 3fgt s TRP 383 Cb -0.16 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 29.91 3fgt s TRP 383 CO 0.11 0.61 -0.13 -1.64 0.02 0.00 0.00 176.95 175.93 3fgt s MET 384 N -0.89 3.37 -0.28 4.98 -1.94 0.48 -1.28 119.30 123.74 3fgt s MET 384 Ca 0.22 -0.69 -0.00 0.00 -1.71 0.00 0.00 55.69 53.51 3fgt s MET 384 Cb -0.16 -2.65 0.05 0.00 2.01 0.00 0.00 34.83 34.09 3fgt s MET 384 CO 0.11 0.17 -0.05 0.42 -0.01 0.00 0.00 175.02 175.66 3fgt s ILE 385 N 0.45 2.67 -0.27 2.53 1.09 0.25 -1.98 121.20 125.94 3fgt s ILE 385 Ca -0.10 -1.43 -0.15 0.00 -1.10 0.00 0.00 60.65 57.87 3fgt s ILE 385 Cb -0.16 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 3fgt s ILE 385 CO 0.05 -0.04 0.37 -0.69 -0.10 0.00 0.00 174.94 174.52 3fgt s VAL 386 N 1.21 5.18 -0.52 2.92 1.01 0.20 -1.47 120.40 128.92 3fgt s VAL 386 Ca -0.06 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 3fgt s VAL 386 Cb -0.19 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.59 3fgt s VAL 386 CO -0.03 0.15 0.50 -0.62 0.00 0.00 0.00 175.10 175.10 3fgt s ASP 387 N 1.65 6.18 0.51 3.32 3.68 0.36 -0.06 116.67 132.31 3fgt s ASP 387 Ca 0.15 -1.52 0.30 0.00 2.13 0.00 0.00 52.55 53.60 3fgt s ASP 387 Cb -0.16 -2.22 1.29 0.00 -1.45 0.00 0.00 42.92 40.38 3fgt s ASP 387 CO 0.10 -0.82 1.97 1.88 0.13 0.00 0.00 175.17 178.43 3fgt h TYR 388 N 8.89 0.00 -0.14 -5.34 0.99 -1.24 -2.24 116.97 117.88 3fgt h TYR 388 Ca -0.29 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.48 3fgt h TYR 388 Cb 1.10 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.83 3fgt h TYR 388 CO 0.71 0.10 0.11 0.87 -0.00 0.00 0.00 178.16 179.96 3fgt h LYS 389 N 0.00 0.00 -0.12 4.88 1.57 -1.88 -1.48 116.57 119.54 3fgt h LYS 389 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fgt h LYS 389 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3fgt h LYS 389 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 3fgt n ALA 390 N -2.47 2.52 -2.62 3.86 0.00 -0.85 -4.85 120.51 116.09 3fgt n ALA 390 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 53.44 52.47 3fgt n ALA 390 Cb 0.24 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 3fgt n ALA 390 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3fgt s PHE 391 N -1.86 3.28 -0.32 0.00 5.36 -0.56 -4.75 117.98 119.13 3fgt s PHE 391 Ca 0.35 0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 56.75 3fgt s PHE 391 Cb 0.20 -2.58 0.03 0.00 -0.34 0.00 0.00 43.02 40.33 3fgt s PHE 391 CO 0.30 -0.18 0.09 -1.17 -1.46 0.00 0.00 175.22 172.80 3fgt s LEU 392 N 1.91 4.13 0.02 6.12 2.96 -1.26 -5.01 118.68 127.54 3fgt s LEU 392 Ca 0.17 -1.02 -0.37 0.00 -0.22 0.00 0.00 54.13 52.69 3fgt s LEU 392 Cb -0.15 -1.86 -0.16 0.00 0.50 0.00 0.00 46.19 44.52 3fgt s LEU 392 CO 0.09 -0.28 1.47 -2.65 -1.32 0.00 0.00 176.35 173.66 3fgt n PRO 393 N 4.81 1.30 -0.28 0.98 -0.02 -1.26 -0.64 135.00 139.88 3fgt n PRO 393 Ca -0.13 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3fgt n PRO 393 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3fgt n PRO 393 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fgt n ASN 394 N 3.34 0.00 -4.89 2.55 3.02 0.15 -4.96 115.26 114.47 3fgt n ASN 394 Ca 0.20 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 3fgt n ASN 394 Cb 0.19 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3fgt n ASN 394 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3fgt s GLY 395 N -2.00 1.62 0.89 7.41 0.00 0.18 -4.81 107.32 110.61 3fgt s GLY 395 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 3fgt s GLY 395 CO 0.00 -0.04 1.24 2.56 0.00 0.00 0.00 173.10 176.86 3fgt s PRO 396 N -5.15 1.12 0.08 2.90 0.04 -1.26 -4.79 135.00 127.94 3fgt s PRO 396 Ca 0.55 -0.38 -0.35 0.00 0.04 0.00 0.00 61.00 60.85 3fgt s PRO 396 Cb -0.11 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 3fgt s PRO 396 CO 0.51 -2.07 1.53 0.45 0.04 0.00 0.00 177.00 177.46 3fgt n SER 397 N -3.52 2.57 -0.35 6.66 2.88 -1.26 -4.85 113.62 115.76 3fgt n SER 397 Ca 0.13 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.87 3fgt n SER 397 Cb 0.60 -1.32 0.50 0.00 -0.75 0.00 0.00 64.21 63.24 3fgt n SER 397 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3fgt n PRO 398 N 3.52 1.46 0.00 -1.46 -0.04 -1.26 -4.92 135.00 132.30 3fgt n PRO 398 Ca 0.19 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 3fgt n PRO 398 Cb 0.24 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3fgt n PRO 398 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgt n GLY 399 N 1.04 2.69 3.84 0.55 0.00 -1.26 -4.92 105.19 107.14 3fgt n GLY 399 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 3fgt n GLY 399 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fgt s SER 400 N 0.41 -0.19 0.00 1.61 1.04 -1.26 -4.25 113.70 111.06 3fgt s SER 400 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3fgt s SER 400 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3fgt s SER 400 CO 0.00 -1.42 0.00 -2.11 0.98 0.00 0.00 173.24 170.69 3fgt n ARG 401 N -0.48 0.00 -0.04 4.02 1.85 -1.26 -4.78 116.66 115.97 3fgt n ARG 401 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.65 3fgt n ARG 401 Cb 0.59 -3.39 -0.08 0.00 -1.05 0.00 0.00 32.46 28.53 3fgt n ARG 401 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3fgt h VAL 402 N 0.00 1.39 -3.19 8.89 2.07 -1.85 -3.35 116.25 120.20 3fgt h VAL 402 Ca 0.00 -1.59 -0.52 0.00 0.82 0.00 0.00 66.70 65.41 3fgt h VAL 402 Cb 0.00 2.14 -0.37 0.00 -1.52 0.00 0.00 31.29 31.54 3fgt h VAL 402 CO 0.00 0.46 -0.80 -0.22 0.02 0.00 0.00 177.57 177.03 3fgt s LEU 403 N -8.82 1.15 -0.16 2.57 2.96 -1.26 -0.49 118.68 114.63 3fgt s LEU 403 Ca -0.14 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3fgt s LEU 403 Cb 0.04 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 3fgt s LEU 403 CO 0.77 -0.12 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.67 3fgt s THR 404 N 1.70 2.92 -0.17 3.68 2.01 -0.54 0.19 115.64 125.43 3fgt s THR 404 Ca 0.04 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 3fgt s THR 404 Cb -0.13 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 3fgt s THR 404 CO -0.08 0.50 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 3fgt s ILE 405 N 0.78 4.34 -0.07 1.82 -1.09 0.84 -0.59 121.20 127.24 3fgt s ILE 405 Ca -0.05 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 3fgt s ILE 405 Cb -0.15 -2.93 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 3fgt s ILE 405 CO 0.01 0.48 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.82 3fgt s LEU 406 N 0.31 1.82 -0.10 2.97 0.20 -0.41 -0.95 118.68 122.52 3fgt s LEU 406 Ca -0.00 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.46 3fgt s LEU 406 Cb -0.13 -1.01 0.01 0.00 -0.43 0.00 0.00 46.19 44.63 3fgt s LEU 406 CO 0.02 0.09 -0.17 -1.61 -0.29 0.00 0.00 176.35 174.39 3fgt s GLU 407 N 0.45 2.38 -0.12 1.98 2.02 0.82 -0.18 118.70 126.04 3fgt s GLU 407 Ca -0.14 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3fgt s GLU 407 Cb -0.16 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 3fgt s GLU 407 CO 0.05 0.01 -0.15 -1.14 0.02 0.00 0.00 175.26 174.04 3fgt s GLN 408 N 0.77 3.29 0.32 1.61 0.74 -0.79 -1.03 119.66 124.57 3fgt s GLN 408 Ca -0.11 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.61 3fgt s GLN 408 Cb -0.16 -2.55 -0.05 0.00 1.10 0.00 0.00 33.01 31.35 3fgt s GLN 408 CO 0.02 0.22 0.11 0.96 -0.55 0.00 0.00 175.29 176.04 3fgt s ILE 409 N 0.31 0.69 0.19 -2.34 -4.36 -0.42 -3.53 121.20 111.75 3fgt s ILE 409 Ca -0.12 -2.00 -0.32 0.00 -0.26 0.00 0.00 60.65 57.95 3fgt s ILE 409 Cb -0.16 -2.59 -0.12 0.00 1.25 0.00 0.00 42.46 40.84 3fgt s ILE 409 CO 0.06 0.00 1.72 -2.84 0.24 0.00 0.00 174.94 174.12 3fgt s PRO 410 N -3.88 4.14 0.00 0.37 0.02 -1.26 -2.51 135.00 131.88 3fgt s PRO 410 Ca 0.34 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3fgt s PRO 410 Cb 0.06 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3fgt s PRO 410 CO 0.15 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3fgt n GLY 411 N 3.98 0.93 3.22 0.52 0.00 -1.26 -4.93 105.19 107.65 3fgt n GLY 411 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3fgt n GLY 411 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fgt s MET 412 N -0.03 0.32 -0.10 1.61 -2.45 -1.04 -5.13 119.30 112.47 3fgt s MET 412 Ca 0.00 0.86 0.02 0.00 -1.25 0.00 0.00 55.69 55.32 3fgt s MET 412 Cb 0.00 0.11 0.01 0.00 1.25 0.00 0.00 34.83 36.20 3fgt s MET 412 CO 0.00 -0.21 -0.15 0.08 1.05 0.00 0.00 175.02 175.79 3fgt s VAL 413 N 2.02 1.42 -0.08 10.11 1.01 -1.26 -1.30 120.40 132.32 3fgt s VAL 413 Ca -0.05 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3fgt s VAL 413 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3fgt s VAL 413 CO -0.12 0.42 -0.16 -0.69 0.00 0.00 0.00 175.10 174.55 3fgt s VAL 414 N 0.90 2.86 -0.04 2.92 1.01 -0.20 -4.96 120.40 122.89 3fgt s VAL 414 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3fgt s VAL 414 Cb -0.15 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3fgt s VAL 414 CO 0.00 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 3fgt s VAL 415 N -0.26 0.78 0.00 2.92 1.01 -1.26 -0.13 120.40 123.46 3fgt s VAL 415 Ca 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3fgt s VAL 415 Cb -0.13 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 3fgt s VAL 415 CO 0.03 0.26 0.07 0.00 0.00 0.00 0.00 175.10 175.46 3fgt s ALA 416 N 0.53 -0.14 -0.11 5.51 0.00 -0.13 -5.00 121.76 122.41 3fgt s ALA 416 Ca -0.09 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 3fgt s ALA 416 Cb -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3fgt s ALA 416 CO 0.01 -0.15 1.11 0.34 0.00 0.00 0.00 175.76 177.07 3fgt s ASP 417 N -1.07 7.12 -0.17 0.00 -1.08 -1.26 -0.11 116.67 120.09 3fgt s ASP 417 Ca -0.12 1.64 0.15 0.00 -0.52 0.00 0.00 52.55 53.71 3fgt s ASP 417 Cb -0.07 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.21 3fgt s ASP 417 CO 0.00 -0.56 1.23 0.29 0.52 0.00 0.00 175.17 176.65 3fgt n LYS 418 N 5.42 1.61 -0.08 4.34 4.76 0.49 -4.71 118.16 129.99 3fgt n LYS 418 Ca 0.11 -2.88 -0.07 0.00 -2.87 0.00 0.00 58.31 52.60 3fgt n LYS 418 Cb 0.47 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3fgt n LYS 418 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3fgt h THR 419 N 0.59 0.86 -0.59 -0.18 2.02 -1.83 0.15 112.91 113.93 3fgt h THR 419 Ca 0.02 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3fgt h THR 419 Cb 1.11 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3fgt h THR 419 CO 0.06 0.03 0.36 0.00 0.37 0.00 0.00 175.52 176.34 3fgt h ALA 420 N 1.21 0.76 -0.39 6.16 0.00 -1.85 0.59 119.26 125.75 3fgt h ALA 420 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3fgt h ALA 420 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fgt h ALA 420 CO -0.18 0.10 0.03 1.49 0.00 0.00 0.00 179.25 180.69 3fgt h GLU 421 N 0.72 0.67 -0.44 0.00 4.57 -1.83 -0.26 114.58 118.01 3fgt h GLU 421 Ca 0.24 -0.20 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 3fgt h GLU 421 Cb 0.01 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 3fgt h GLU 421 CO -0.10 0.75 0.12 1.25 -1.18 0.00 0.00 179.01 179.85 3fgt h LEU 422 N 0.50 0.07 -0.63 1.64 5.85 -0.51 0.21 115.31 122.45 3fgt h LEU 422 Ca 0.11 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 3fgt h LEU 422 Cb 0.43 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3fgt h LEU 422 CO 0.02 0.07 -0.58 1.88 -0.34 0.00 0.00 178.44 179.49 3fgt h TYR 423 N 0.26 0.43 0.25 1.25 0.05 -0.63 0.37 116.97 118.95 3fgt h TYR 423 Ca 0.21 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3fgt h TYR 423 Cb 0.24 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3fgt h TYR 423 CO -0.19 0.83 -0.12 -0.22 -1.05 0.00 0.00 178.16 177.42 3fgt h LYS 424 N 0.25 -0.32 0.00 4.88 3.64 -0.87 -3.32 116.57 120.83 3fgt h LYS 424 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3fgt h LYS 424 Cb 1.09 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3fgt h LYS 424 CO 0.10 0.04 -0.43 1.79 -2.27 0.00 0.00 179.45 178.67 3fgt h THR 425 N -0.79 0.14 0.00 1.00 1.35 -1.01 -3.48 112.91 110.13 3fgt h THR 425 Ca -0.03 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3fgt h THR 425 Cb 0.51 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3fgt h THR 425 CO 0.06 0.08 0.00 0.35 -0.25 0.00 0.00 175.52 175.76 3fgt n THR 426 N -2.98 0.00 -3.69 6.82 -2.24 0.13 -5.00 114.28 107.31 3fgt n THR 426 Ca 0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 3fgt n THR 426 Cb 0.58 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 3fgt n THR 426 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fgt s TYR 427 N -3.39 -0.17 -0.17 4.78 1.13 -1.19 -0.49 117.35 117.85 3fgt s TYR 427 Ca 0.00 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.63 3fgt s TYR 427 Cb 0.00 0.18 0.03 0.00 -1.10 0.00 0.00 41.96 41.07 3fgt s TYR 427 CO 0.00 -0.60 -0.10 -0.46 -2.51 0.00 0.00 175.55 171.88 3fgt s TRP 428 N -3.11 2.07 -0.02 -3.49 -0.11 0.47 -4.58 118.94 110.16 3fgt s TRP 428 Ca -0.01 -1.26 -0.01 0.00 1.22 0.00 0.00 56.10 56.03 3fgt s TRP 428 Cb 0.01 -1.50 -0.04 0.00 -1.50 0.00 0.00 33.47 30.44 3fgt s TRP 428 CO -0.07 -0.66 0.10 0.00 -4.62 0.00 0.00 176.95 171.69 3fgt s ALA 429 N 1.52 3.65 -0.02 5.86 0.00 -1.26 -0.19 121.76 131.32 3fgt s ALA 429 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3fgt s ALA 429 Cb -0.14 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.31 3fgt s ALA 429 CO -0.09 0.69 -0.12 0.45 0.00 0.00 0.00 175.76 176.69 3fgt s SER 430 N -1.66 1.46 -0.36 0.00 0.15 0.28 -4.98 113.70 108.57 3fgt s SER 430 Ca 0.22 -0.23 0.12 0.00 0.70 0.00 0.00 55.95 56.76 3fgt s SER 430 Cb -0.12 -0.27 0.41 0.00 -1.71 0.00 0.00 66.02 64.33 3fgt s SER 430 CO 0.13 0.12 1.44 0.00 1.20 0.00 0.00 173.24 176.13 3fgt n TYR 431 N 2.99 -2.06 -1.01 3.44 4.11 -1.26 -0.82 117.16 122.55 3fgt n TYR 431 Ca -0.16 -1.85 -0.00 0.00 -0.00 0.00 0.00 57.90 55.89 3fgt n TYR 431 Cb 0.55 1.48 -0.00 0.00 -0.00 0.00 0.00 39.34 41.36 3fgt n TYR 431 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3fgt n ASN 432 N -1.06 -3.88 -4.06 9.48 3.02 -1.26 -4.99 115.26 112.51 3fgt n ASN 432 Ca -0.10 0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.18 3fgt n ASN 432 Cb 0.86 -1.41 -0.17 0.00 -0.61 0.00 0.00 39.78 38.46 3fgt n ASN 432 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fgt s ILE 433 N -1.73 1.49 0.44 2.41 1.01 -1.26 -4.38 121.20 119.18 3fgt s ILE 433 Ca 0.00 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 3fgt s ILE 433 Cb 0.00 -1.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.02 3fgt s ILE 433 CO 0.00 0.44 1.38 -0.81 0.00 0.00 0.00 174.94 175.95 3fgt n PRO 434 N 4.19 2.14 0.04 2.79 -0.04 -1.26 -4.93 135.00 137.92 3fgt n PRO 434 Ca -0.19 0.76 -0.21 0.00 -0.04 0.00 0.00 63.50 63.82 3fgt n PRO 434 Cb 0.51 -2.54 -0.14 0.00 -0.04 0.00 0.00 33.50 31.28 3fgt n PRO 434 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3fgt h TYR 435 N 2.21 0.58 -2.93 0.54 5.03 -1.99 -3.44 116.97 116.97 3fgt h TYR 435 Ca -0.50 -0.42 -0.56 0.00 2.58 0.00 0.00 58.73 59.84 3fgt h TYR 435 Cb 1.28 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.51 3fgt h TYR 435 CO 0.49 1.67 0.85 -0.06 -1.32 0.00 0.00 178.16 179.79 3fgt s PHE 436 N -2.57 2.86 0.35 -3.82 0.40 -1.26 -4.90 117.98 109.03 3fgt s PHE 436 Ca -0.18 0.95 0.02 0.00 -0.60 0.00 0.00 56.93 57.12 3fgt s PHE 436 Cb 0.06 -3.55 0.62 0.00 0.51 0.00 0.00 43.02 40.66 3fgt s PHE 436 CO 0.82 -1.95 2.00 0.93 0.70 0.00 0.00 175.22 177.73 3fgt h GLU 437 N 8.05 0.85 -0.63 0.44 5.08 -1.98 0.54 114.58 126.94 3fgt h GLU 437 Ca -0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3fgt h GLU 437 Cb 1.14 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 3fgt h GLU 437 CO 0.93 0.57 0.35 1.79 -1.00 0.00 0.00 179.01 181.65 3fgt h THR 438 N 0.88 1.20 -0.42 1.13 1.35 -1.99 0.25 112.91 115.32 3fgt h THR 438 Ca 0.24 -0.50 -0.13 0.00 -0.55 0.00 0.00 66.41 65.47 3fgt h THR 438 Cb -0.09 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 66.69 3fgt h THR 438 CO -0.05 0.22 -0.23 0.58 -0.25 0.00 0.00 175.52 175.79 3fgt h VAL 439 N 0.86 1.28 -0.21 6.82 2.07 -1.72 -0.07 116.25 125.27 3fgt h VAL 439 Ca 0.22 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3fgt h VAL 439 Cb 0.04 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3fgt h VAL 439 CO -0.04 0.47 0.14 0.15 0.02 0.00 0.00 177.57 178.31 3fgt h PHE 440 N 0.72 0.27 -0.28 1.57 3.04 0.45 -2.37 116.94 120.34 3fgt h PHE 440 Ca 0.09 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 3fgt h PHE 440 Cb 0.80 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3fgt h PHE 440 CO 0.06 0.17 -0.15 -0.91 -2.02 0.00 0.00 178.31 175.46 3fgt h ASN 441 N 0.28 0.62 0.37 0.41 4.21 -0.48 -2.85 115.58 118.14 3fgt h ASN 441 Ca 0.08 -0.42 -0.05 0.00 1.21 0.00 0.00 56.30 57.12 3fgt h ASN 441 Cb -0.03 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 3fgt h ASN 441 CO -0.02 0.90 -0.24 0.00 -1.29 0.00 0.00 177.43 176.77 3fgt h ALA 442 N 0.74 1.40 -0.58 -0.83 0.00 -0.95 -2.53 119.26 116.50 3fgt h ALA 442 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3fgt h ALA 442 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3fgt h ALA 442 CO 0.04 0.31 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3fgt n SER 443 N -3.96 4.30 -0.07 0.00 3.41 -0.90 -4.66 113.62 111.75 3fgt n SER 443 Ca -0.02 -2.39 -0.01 0.00 -0.26 0.00 0.00 58.87 56.19 3fgt n SER 443 Cb 0.32 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3fgt n SER 443 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgt n GLY 444 N 1.06 0.42 0.16 5.00 0.00 -0.95 -0.77 105.19 110.11 3fgt n GLY 444 Ca 0.23 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.28 3fgt n GLY 444 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fgt h LEU 445 N 0.00 0.00 -0.97 0.99 3.38 -1.72 -3.27 115.31 113.71 3fgt h LEU 445 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3fgt h LEU 445 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3fgt h LEU 445 CO 0.03 0.42 0.64 1.56 0.09 0.00 0.00 178.44 181.18 3fgt h GLN 446 N 0.00 1.23 -0.14 1.13 1.08 -1.87 -0.90 115.11 115.64 3fgt h GLN 446 Ca -0.00 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 3fgt h GLN 446 Cb 1.26 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 3fgt h GLN 446 CO 0.05 0.81 -0.16 0.00 -0.95 0.00 0.00 178.83 178.59 3fgt h ALA 447 N 1.38 1.47 0.02 3.87 0.00 -1.97 0.16 119.26 124.19 3fgt h ALA 447 Ca 0.38 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 3fgt h ALA 447 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3fgt h ALA 447 CO -0.11 0.38 -1.29 -0.07 0.00 0.00 0.00 179.25 178.16 3fgt h LEU 448 N 0.22 0.07 -0.02 0.00 3.38 -1.55 -0.76 115.31 116.65 3fgt h LEU 448 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3fgt h LEU 448 Cb 0.42 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3fgt h LEU 448 CO 0.03 1.08 0.01 0.58 0.09 0.00 0.00 178.44 180.22 3fgt h VAL 449 N 0.01 1.09 -0.85 1.22 2.07 -0.91 0.14 116.25 119.02 3fgt h VAL 449 Ca -0.13 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.22 3fgt h VAL 449 Cb 1.88 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.81 3fgt h VAL 449 CO 0.12 0.07 0.51 0.00 0.02 0.00 0.00 177.57 178.29 3fgt h ALA 450 N 0.90 1.21 0.19 1.67 0.00 -0.66 0.44 119.26 123.01 3fgt h ALA 450 Ca 0.01 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 3fgt h ALA 450 Cb 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fgt h ALA 450 CO -0.00 0.17 -1.59 0.37 0.00 0.00 0.00 179.25 178.20 3fgt h GLN 451 N 0.87 0.40 0.00 0.00 4.15 -1.07 -3.41 115.11 116.06 3fgt h GLN 451 Ca 0.40 -0.69 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3fgt h GLN 451 Cb 0.30 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3fgt h GLN 451 CO -0.22 1.31 -1.01 0.66 -1.93 0.00 0.00 178.83 177.64 3fgt n TYR 452 N -3.59 0.00 -1.25 3.99 0.53 0.48 -5.08 117.16 112.25 3fgt n TYR 452 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.68 3fgt n TYR 452 Cb 1.08 -0.06 0.00 0.00 -1.03 0.00 0.00 39.34 39.32 3fgt n TYR 452 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3fgt n GLY 453 N 2.16 0.30 0.22 2.72 0.00 0.16 -4.61 105.19 106.14 3fgt n GLY 453 Ca -0.00 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.55 3fgt n GLY 453 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fgt h ASP 454 N 2.63 0.00 -1.15 1.61 3.32 -1.89 -2.32 116.42 118.62 3fgt h ASP 454 Ca 0.00 0.00 0.32 0.00 0.02 0.00 0.00 57.03 57.37 3fgt h ASP 454 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3fgt h ASP 454 CO 0.00 0.18 0.79 -0.25 -1.72 0.00 0.00 179.24 178.24 3fgt h TRP 455 N 0.00 0.29 -0.05 4.55 7.01 -1.82 0.28 115.95 126.21 3fgt h TRP 455 Ca -0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3fgt h TRP 455 Cb 0.32 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 3fgt h TRP 455 CO 0.00 0.01 0.00 1.19 -2.79 0.00 0.00 178.44 176.85 3fgt n PHE 456 N -4.38 0.03 -2.55 2.65 3.01 -0.87 -4.66 117.46 110.69 3fgt n PHE 456 Ca 0.27 -0.01 -0.41 0.00 1.01 0.00 0.00 57.45 58.30 3fgt n PHE 456 Cb 1.13 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.56 3fgt n PHE 456 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3fgt s SER 457 N -1.97 7.28 0.21 4.37 0.15 0.94 -4.79 113.70 119.88 3fgt s SER 457 Ca 0.30 1.99 -0.10 0.00 0.70 0.00 0.00 55.95 58.85 3fgt s SER 457 Cb 0.20 -2.59 0.27 0.00 -1.71 0.00 0.00 66.02 62.19 3fgt s SER 457 CO 0.31 -0.25 1.75 0.22 1.20 0.00 0.00 173.24 176.47 3fgt h TYR 458 N 5.64 0.42 0.00 3.44 5.03 -1.87 -2.83 116.97 126.80 3fgt h TYR 458 Ca -0.43 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 60.81 3fgt h TYR 458 Cb 1.21 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 3fgt h TYR 458 CO 0.64 0.12 -1.88 0.25 -1.32 0.00 0.00 178.16 175.97 3fgt n THR 459 N -4.98 0.53 0.77 1.81 -2.24 -1.26 -4.51 114.28 104.40 3fgt n THR 459 Ca 0.08 -0.61 0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3fgt n THR 459 Cb 0.26 -0.24 0.04 0.00 -2.10 0.00 0.00 70.33 68.30 3fgt n THR 459 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fgt n LYS 460 N -2.50 1.57 -1.12 -0.78 5.02 -1.24 -4.18 118.16 114.93 3fgt n LYS 460 Ca -0.10 -1.30 -0.31 0.00 -2.02 0.00 0.00 58.31 54.58 3fgt n LYS 460 Cb 0.73 -1.34 0.11 0.00 -0.02 0.00 0.00 35.03 34.51 3fgt n LYS 460 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fgt s ASN 461 N -1.72 4.05 0.29 4.39 2.20 -0.99 -4.62 114.94 118.52 3fgt s ASN 461 Ca 0.19 1.89 0.03 0.00 -0.94 0.00 0.00 52.86 54.02 3fgt s ASN 461 Cb 0.15 -2.51 0.62 0.00 -2.00 0.00 0.00 41.25 37.51 3fgt s ASN 461 CO 0.31 -2.34 1.80 -0.65 -2.94 0.00 0.00 177.10 173.28 3fgt h PRO 462 N -1.34 0.82 -0.11 3.55 0.11 -1.83 0.02 132.00 133.22 3fgt h PRO 462 Ca -0.44 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3fgt h PRO 462 Cb 1.24 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.17 3fgt h PRO 462 CO 0.49 0.54 -0.45 0.00 -0.21 0.00 0.00 178.00 178.37 3fgt h ARG 463 N 0.85 0.50 -0.45 1.05 3.08 -1.89 0.12 114.38 117.64 3fgt h ARG 463 Ca 0.52 -0.39 0.09 0.00 0.07 0.00 0.00 59.98 60.27 3fgt h ARG 463 Cb 0.68 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 3fgt h ARG 463 CO -0.33 1.02 -0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3fgt h ALA 464 N 0.48 0.32 -0.64 0.04 0.00 -1.77 0.20 119.26 117.90 3fgt h ALA 464 Ca -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3fgt h ALA 464 Cb 1.09 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3fgt h ALA 464 CO 0.10 -0.44 0.34 0.87 0.00 0.00 0.00 179.25 180.11 3fgt h LYS 465 N 0.02 0.91 -0.25 0.00 1.57 -0.83 0.90 116.57 118.89 3fgt h LYS 465 Ca 0.22 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3fgt h LYS 465 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3fgt h LYS 465 CO -0.45 0.70 -0.04 0.82 -0.57 0.00 0.00 179.45 179.91 3fgt h ILE 466 N 0.88 1.27 -0.39 1.86 2.04 -0.36 -1.74 117.51 121.07 3fgt h ILE 466 Ca 0.22 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.13 3fgt h ILE 466 Cb 0.07 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3fgt h ILE 466 CO -0.03 0.31 0.11 -0.26 0.00 0.00 0.00 178.15 178.29 3fgt h PHE 467 N 0.22 0.20 -0.85 1.37 0.05 -0.88 0.44 116.94 117.50 3fgt h PHE 467 Ca 0.07 0.02 0.08 0.00 3.82 0.00 0.00 57.97 61.96 3fgt h PHE 467 Cb 0.48 -0.03 -0.06 0.00 2.00 0.00 0.00 35.95 38.34 3fgt h PHE 467 CO 0.05 0.06 0.55 1.96 -0.18 0.00 0.00 178.31 180.75 3fgt h GLN 468 N 0.26 0.83 0.20 1.51 4.20 -0.69 0.59 115.11 122.01 3fgt h GLN 468 Ca 0.18 -0.05 -0.29 0.00 0.06 0.00 0.00 58.65 58.55 3fgt h GLN 468 Cb 0.18 -0.19 0.03 0.00 0.30 0.00 0.00 27.48 27.80 3fgt h GLN 468 CO -0.21 0.55 -1.31 -0.09 -0.67 0.00 0.00 178.83 177.11 3fgt h ARG 469 N 0.86 0.42 0.00 1.46 2.43 -0.79 -3.41 114.38 115.35 3fgt h ARG 469 Ca 0.38 -0.72 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3fgt h ARG 469 Cb 0.35 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3fgt h ARG 469 CO -0.15 1.34 -0.71 -0.25 -1.51 0.00 0.00 179.97 178.69 3fgt n ASP 470 N -3.85 1.14 -0.34 -3.80 8.00 0.15 -4.70 116.55 113.15 3fgt n ASP 470 Ca -0.18 -0.50 0.08 0.00 0.71 0.00 0.00 54.79 54.90 3fgt n ASP 470 Cb 0.99 1.12 0.25 0.00 -0.02 0.00 0.00 41.12 43.46 3fgt n ASP 470 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 3fgt h GLN 471 N 0.00 0.80 0.00 -1.24 -0.00 -1.04 -1.09 115.11 112.55 3fgt h GLN 471 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3fgt h GLN 471 Cb 0.27 -0.18 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3fgt h GLN 471 CO 0.00 0.53 0.00 0.66 -0.00 0.00 0.00 178.83 180.02 3fgt h SER 472 N 0.83 0.00 0.72 0.06 4.64 -1.84 0.79 113.55 118.75 3fgt h SER 472 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3fgt h SER 472 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3fgt h SER 472 CO -0.31 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.83 3fgt n LEU 473 N -2.95 0.19 -4.53 5.97 4.77 -0.41 -4.50 117.00 115.54 3fgt n LEU 473 Ca -0.02 0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 3fgt n LEU 473 Cb 0.12 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 3fgt n LEU 473 CO 0.20 -0.25 1.08 0.68 -1.33 0.00 0.00 177.39 177.77 3fgt s VAL 474 N -3.07 3.85 -0.79 4.08 -7.23 0.27 -4.74 120.40 112.78 3fgt s VAL 474 Ca 0.08 0.27 0.09 0.00 -1.81 0.00 0.00 61.98 60.61 3fgt s VAL 474 Cb 0.12 -4.87 -0.02 0.00 0.56 0.00 0.00 36.38 32.18 3fgt s VAL 474 CO 0.37 -1.76 0.57 -1.84 -0.31 0.00 0.00 175.10 172.13 3fgt n GLU 475 N 9.01 2.40 -3.12 4.82 0.28 -1.26 -4.85 120.64 127.92 3fgt n GLU 475 Ca 0.02 -0.50 -0.01 0.00 -0.16 0.00 0.00 57.16 56.51 3fgt n GLU 475 Cb 0.48 -1.04 0.01 0.00 1.43 0.00 0.00 31.44 32.33 3fgt n GLU 475 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fgt n ASP 476 N -0.40 -1.07 -0.19 -1.84 5.68 -1.26 -4.94 116.55 112.53 3fgt n ASP 476 Ca 0.04 -1.49 -0.08 0.00 -0.50 0.00 0.00 54.79 52.75 3fgt n ASP 476 Cb 0.19 1.72 0.02 0.00 -1.14 0.00 0.00 41.12 41.91 3fgt n ASP 476 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3fgt h MET 477 N 0.00 0.80 -0.05 0.11 2.86 -1.99 -0.81 114.93 115.85 3fgt h MET 477 Ca -0.17 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.16 3fgt h MET 477 Cb 0.80 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3fgt h MET 477 CO 0.23 0.69 -0.70 -0.44 1.06 0.00 0.00 176.91 177.76 3fgt h ASP 478 N 0.74 0.30 -0.64 1.22 3.45 -1.99 -1.48 116.42 118.03 3fgt h ASP 478 Ca 0.18 -0.19 -0.09 0.00 0.43 0.00 0.00 57.03 57.36 3fgt h ASP 478 Cb 0.18 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3fgt h ASP 478 CO -0.02 0.90 0.04 0.00 -1.57 0.00 0.00 179.24 178.60 3fgt h ALA 479 N 1.09 0.86 -0.16 3.45 0.00 -1.83 -1.02 119.26 121.66 3fgt h ALA 479 Ca -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3fgt h ALA 479 Cb 1.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3fgt h ALA 479 CO 0.11 0.67 0.01 1.98 0.00 0.00 0.00 179.25 182.03 3fgt h MET 480 N 1.01 0.07 -0.63 0.00 1.85 -0.95 -1.11 114.93 115.17 3fgt h MET 480 Ca 0.19 -0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.39 3fgt h MET 480 Cb 0.52 -0.02 -0.09 0.00 0.43 0.00 0.00 31.60 32.44 3fgt h MET 480 CO 0.02 0.04 0.15 0.28 -0.40 0.00 0.00 176.91 177.01 3fgt h VAL 481 N 0.07 0.63 -0.22 -5.77 2.07 -1.14 0.35 116.25 112.24 3fgt h VAL 481 Ca 0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3fgt h VAL 481 Cb 0.08 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3fgt h VAL 481 CO -0.11 0.05 0.09 -0.09 0.02 0.00 0.00 177.57 177.53 3fgt h ARG 482 N 0.28 0.33 -0.50 1.57 2.43 -0.73 0.31 114.38 118.07 3fgt h ARG 482 Ca 0.33 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 3fgt h ARG 482 Cb 0.51 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3fgt h ARG 482 CO -0.42 0.38 -0.13 1.25 -1.51 0.00 0.00 179.97 179.55 3fgt h LEU 483 N 0.21 0.95 -1.31 3.80 5.85 -1.00 -2.64 115.31 121.16 3fgt h LEU 483 Ca 0.07 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3fgt h LEU 483 Cb 0.17 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3fgt h LEU 483 CO -0.01 1.08 -0.33 0.24 -0.34 0.00 0.00 178.44 179.08 3fgt h MET 484 N 0.84 0.03 0.00 1.25 2.86 -0.63 -1.36 114.93 117.92 3fgt h MET 484 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3fgt h MET 484 Cb 0.67 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3fgt h MET 484 CO 0.05 0.35 0.00 0.54 1.06 0.00 0.00 176.91 178.91 3fgt n ARG 485 N -4.14 0.99 -2.23 1.72 5.12 0.11 -3.97 116.66 114.25 3fgt n ARG 485 Ca -0.02 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.47 3fgt n ARG 485 Cb 0.37 -1.26 -0.02 0.00 -1.16 0.00 0.00 32.46 30.39 3fgt n ARG 485 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3fgt s TYR 486 N -2.00 2.38 -0.20 -1.55 5.04 -0.51 -4.59 117.35 115.92 3fgt s TYR 486 Ca 0.25 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.49 3fgt s TYR 486 Cb 0.11 -3.82 0.10 0.00 0.35 0.00 0.00 41.96 38.71 3fgt s TYR 486 CO 0.19 -2.60 0.32 1.21 -1.34 0.00 0.00 175.55 173.33 3fgt s ASN 487 N 3.15 0.45 -0.37 4.32 3.84 -1.26 -1.48 114.94 123.59 3fgt s ASN 487 Ca 0.65 0.33 0.14 0.00 0.21 0.00 0.00 52.86 54.18 3fgt s ASN 487 Cb -0.25 0.88 0.40 0.00 -0.55 0.00 0.00 41.25 41.74 3fgt s ASN 487 CO 0.24 -0.28 0.86 -0.67 -2.79 0.00 0.00 177.10 174.46 3fgt n ASP 488 N 5.35 1.57 0.25 -4.21 2.03 -1.26 -4.25 116.55 116.04 3fgt n ASP 488 Ca -0.05 -2.97 0.12 0.00 0.52 0.00 0.00 54.79 52.41 3fgt n ASP 488 Cb 0.50 -0.57 0.67 0.00 -0.72 0.00 0.00 41.12 41.00 3fgt n ASP 488 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fgt h PHE 489 N 2.97 0.00 0.00 -0.67 -0.00 -1.89 -0.37 116.94 116.98 3fgt h PHE 489 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.90 3fgt h PHE 489 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.96 3fgt h PHE 489 CO 0.52 0.14 -0.47 -0.07 -0.00 0.00 0.00 178.31 178.43 3fgt h LEU 490 N 0.00 0.00 0.00 2.10 3.38 -1.93 -3.36 115.31 115.50 3fgt h LEU 490 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fgt h LEU 490 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fgt h LEU 490 CO 0.02 0.47 -0.24 1.41 0.09 0.00 0.00 178.44 180.19 3fgt n HIS 491 N -3.94 0.00 -3.16 1.13 8.25 -0.67 -4.93 115.22 111.90 3fgt n HIS 491 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 3fgt n HIS 491 Cb 0.50 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 3fgt n HIS 491 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3fgt s ASP 492 N -1.30 6.52 0.58 0.41 -1.08 -0.24 -4.94 116.67 116.62 3fgt s ASP 492 Ca 0.00 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 52.95 3fgt s ASP 492 Cb 0.01 -2.31 1.77 0.00 -1.46 0.00 0.00 42.92 40.93 3fgt s ASP 492 CO 0.05 -0.33 2.24 -0.65 0.52 0.00 0.00 175.17 176.99 3fgt h PRO 493 N 7.94 0.00 0.00 4.34 0.11 -1.90 -0.55 132.00 141.94 3fgt h PRO 493 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fgt h PRO 493 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fgt h PRO 493 CO 0.75 0.01 0.00 -0.07 -0.21 0.00 0.00 178.00 178.48 3fgt h LEU 494 N 0.00 0.00 -0.74 2.35 3.38 -1.93 -2.36 115.31 116.02 3fgt h LEU 494 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fgt h LEU 494 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fgt h LEU 494 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 3fgt n SER 495 N -2.79 1.13 -4.69 -0.43 7.64 -0.22 -4.65 113.62 109.62 3fgt n SER 495 Ca 0.02 -1.43 -0.42 0.00 1.01 0.00 0.00 58.87 58.05 3fgt n SER 495 Cb 0.32 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 3fgt n SER 495 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fgt s LEU 496 N -1.90 4.30 -0.36 -3.43 1.02 -0.89 -1.29 118.68 116.13 3fgt s LEU 496 Ca 0.38 2.03 -0.10 0.00 0.02 0.00 0.00 54.13 56.46 3fgt s LEU 496 Cb 0.20 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.88 3fgt s LEU 496 CO 0.32 -0.70 0.18 0.00 0.02 0.00 0.00 176.35 176.17 3fgt h GLU 498 N 8.38 0.34 0.00 0.00 4.39 -1.95 -2.21 114.58 123.54 3fgt h GLU 498 Ca -0.26 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3fgt h GLU 498 Cb 1.11 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3fgt h GLU 498 CO 0.65 0.79 0.00 0.00 -1.16 0.00 0.00 179.01 179.29 3fgt n ALA 499 N -2.48 2.42 -2.68 3.43 0.00 -1.26 -4.89 120.51 115.04 3fgt n ALA 499 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 3fgt n ALA 499 Cb 0.58 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 3fgt n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgt s ASN 501 N -2.99 2.55 0.98 0.00 2.47 -0.17 -3.86 114.94 113.93 3fgt s ASN 501 Ca 0.40 -0.60 -0.14 0.00 0.42 0.00 0.00 52.86 52.95 3fgt s ASN 501 Cb -0.11 -0.62 0.18 0.00 -1.45 0.00 0.00 41.25 39.25 3fgt s ASN 501 CO 0.28 -0.25 1.14 -2.16 -3.72 0.00 0.00 177.10 172.39 3fgt s PRO 502 N 1.84 0.57 -0.09 0.43 0.04 -1.26 0.19 135.00 136.73 3fgt s PRO 502 Ca 0.01 0.21 -0.23 0.00 0.04 0.00 0.00 61.00 61.03 3fgt s PRO 502 Cb -0.15 -1.78 -0.29 0.00 0.04 0.00 0.00 34.50 32.32 3fgt s PRO 502 CO -0.07 -2.57 0.79 0.87 0.04 0.00 0.00 177.00 176.06 3fgt h LYS 503 N -1.76 0.21 -6.54 4.56 1.57 -1.77 -3.44 116.57 109.39 3fgt h LYS 503 Ca -0.50 -0.35 -0.56 0.00 -1.87 0.00 0.00 60.65 57.37 3fgt h LYS 503 Cb 1.32 0.13 0.06 0.00 0.08 0.00 0.00 32.23 33.81 3fgt h LYS 503 CO 0.55 1.17 0.90 -2.30 -0.57 0.00 0.00 179.45 179.20 3fgt n PRO 504 N -4.23 2.40 -4.16 3.15 -0.02 -1.26 0.91 135.00 131.79 3fgt n PRO 504 Ca -0.15 0.87 -0.27 0.00 -2.02 0.00 0.00 63.50 61.92 3fgt n PRO 504 Cb 0.74 -2.67 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 3fgt n PRO 504 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fgt s ASN 505 N 1.27 2.18 0.26 2.55 3.84 -0.41 -4.85 114.94 119.77 3fgt s ASN 505 Ca 0.78 -0.34 0.21 0.00 0.21 0.00 0.00 52.86 53.72 3fgt s ASN 505 Cb -0.61 -0.91 0.99 0.00 -0.55 0.00 0.00 41.25 40.17 3fgt s ASN 505 CO 0.37 -0.06 1.63 0.00 -2.79 0.00 0.00 177.10 176.25 3fgt n ALA 506 N 4.55 1.34 0.20 1.71 0.00 -1.26 -1.28 120.51 125.76 3fgt n ALA 506 Ca -0.17 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.46 3fgt n ALA 506 Cb 0.51 -1.32 0.43 0.00 0.00 0.00 0.00 19.45 19.06 3fgt n ALA 506 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fgt h GLU 507 N 0.00 0.00 -2.91 0.00 4.57 -1.89 -1.24 114.58 113.11 3fgt h GLU 507 Ca 0.00 0.00 -0.76 0.00 -1.18 0.00 0.00 59.36 57.42 3fgt h GLU 507 Cb 0.17 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 28.59 3fgt h GLU 507 CO 0.00 0.32 1.93 0.09 -1.18 0.00 0.00 179.01 180.17 3fgt n ASN 508 N -3.73 6.77 -3.88 1.04 3.02 -0.41 -4.63 115.26 113.43 3fgt n ASN 508 Ca -0.01 -3.23 -0.09 0.00 -0.03 0.00 0.00 54.58 51.22 3fgt n ASN 508 Cb 0.42 -1.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.18 3fgt n ASN 508 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgt s ALA 509 N -1.21 -0.73 0.14 5.41 0.00 -1.26 -4.03 121.76 120.07 3fgt s ALA 509 Ca 0.44 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 3fgt s ALA 509 Cb 0.14 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3fgt s ALA 509 CO -0.04 -0.89 1.67 0.82 0.00 0.00 0.00 175.76 177.32 3fgt h ILE 510 N 2.17 1.22 -3.54 0.00 1.08 -1.65 -3.35 117.51 113.44 3fgt h ILE 510 Ca -0.25 -0.73 -0.70 0.00 -0.39 0.00 0.00 64.86 62.79 3fgt h ILE 510 Cb 1.25 0.84 -0.35 0.00 -3.07 0.00 0.00 36.82 35.49 3fgt h ILE 510 CO 0.33 0.27 -0.38 -0.55 -0.69 0.00 0.00 178.15 177.13 3fgt s SER 511 N -6.01 5.24 0.51 1.72 0.15 -0.55 -4.48 113.70 110.27 3fgt s SER 511 Ca -0.13 -2.81 -0.21 0.00 0.70 0.00 0.00 55.95 53.50 3fgt s SER 511 Cb 0.11 -1.85 -0.08 0.00 -1.71 0.00 0.00 66.02 62.49 3fgt s SER 511 CO 0.77 -0.38 0.97 0.00 1.20 0.00 0.00 173.24 175.80 3fgt n ALA 512 N 3.55 0.15 -3.23 5.45 0.00 -1.26 -4.51 120.51 120.67 3fgt n ALA 512 Ca 0.07 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 3fgt n ALA 512 Cb 0.38 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 3fgt n ALA 512 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fgt n ARG 513 N -0.36 1.09 0.28 0.00 5.12 -0.47 -0.59 116.66 121.73 3fgt n ARG 513 Ca 0.11 -3.51 0.13 0.00 -1.93 0.00 0.00 57.85 52.64 3fgt n ARG 513 Cb 0.43 -1.44 0.79 0.00 -1.16 0.00 0.00 32.46 31.08 3fgt n ARG 513 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3fgt h SER 514 N 3.95 0.00 -0.15 0.55 0.02 -1.52 -1.16 113.55 115.24 3fgt h SER 514 Ca 0.10 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3fgt h SER 514 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3fgt h SER 514 CO 0.54 0.06 0.23 -2.24 -1.14 0.00 0.00 176.83 174.27 3fgt h ASP 515 N 0.00 0.00 0.35 3.07 2.03 -1.01 -2.26 116.42 118.60 3fgt h ASP 515 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3fgt h ASP 515 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 3fgt h ASP 515 CO 0.01 0.00 -0.44 0.18 -1.03 0.00 0.00 179.24 177.95 3fgt n LEU 516 N -3.52 0.79 -4.75 0.15 4.77 -0.44 -4.80 117.00 109.20 3fgt n LEU 516 Ca 0.01 -0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 3fgt n LEU 516 Cb 0.34 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3fgt n LEU 516 CO 0.24 0.17 0.89 0.20 -1.33 0.00 0.00 177.39 177.55 3fgt s ASN 517 N -2.79 7.06 0.35 -1.43 0.01 -0.89 -4.94 114.94 112.31 3fgt s ASN 517 Ca 0.16 2.35 -0.29 0.00 -0.71 0.00 0.00 52.86 54.38 3fgt s ASN 517 Cb 0.18 -2.62 -0.11 0.00 0.41 0.00 0.00 41.25 39.11 3fgt s ASN 517 CO 0.64 -0.35 1.50 -2.16 -1.51 0.00 0.00 177.10 175.21 3fgt s PRO 518 N -0.88 4.14 0.36 -0.60 0.04 -1.26 -4.43 135.00 132.36 3fgt s PRO 518 Ca 0.50 2.54 0.07 0.00 0.04 0.00 0.00 61.00 64.15 3fgt s PRO 518 Cb -0.34 -2.99 0.67 0.00 0.04 0.00 0.00 34.50 31.88 3fgt s PRO 518 CO 0.41 -0.53 1.88 0.00 0.04 0.00 0.00 177.00 178.80 3fgt h ALA 519 N 3.54 1.41 -0.33 8.56 0.00 -1.94 -2.39 119.26 128.12 3fgt h ALA 519 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3fgt h ALA 519 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fgt h ALA 519 CO 0.68 0.41 0.00 0.27 0.00 0.00 0.00 179.25 180.61 3fgt n ASN 520 N -4.26 2.01 -4.72 0.00 0.23 -1.26 -4.91 115.26 102.35 3fgt n ASN 520 Ca 0.00 -1.92 -0.35 0.00 -0.53 0.00 0.00 54.58 51.79 3fgt n ASN 520 Cb 0.28 -0.22 0.09 0.00 -2.08 0.00 0.00 39.78 37.85 3fgt n ASN 520 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3fgt s GLY 521 N -1.18 2.43 -0.23 4.83 0.00 -0.90 -5.00 107.32 107.27 3fgt s GLY 521 Ca 0.28 0.93 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 3fgt s GLY 521 CO 0.21 1.35 0.09 -0.45 0.00 0.00 0.00 173.10 174.29 3fgt s SER 522 N -1.93 5.46 -0.01 1.64 0.15 0.13 -4.98 113.70 114.16 3fgt s SER 522 Ca 0.76 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 57.34 3fgt s SER 522 Cb -0.30 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3fgt s SER 522 CO 0.44 0.03 -0.03 -0.31 1.20 0.00 0.00 173.24 174.57 3fgt s TYR 523 N 1.24 0.39 0.12 3.44 2.02 -1.26 -1.00 117.35 122.31 3fgt s TYR 523 Ca 0.05 -0.07 0.31 0.00 -0.37 0.00 0.00 57.07 56.99 3fgt s TYR 523 Cb -0.14 -0.31 1.25 0.00 -0.40 0.00 0.00 41.96 42.36 3fgt s TYR 523 CO 0.04 -0.05 1.95 -1.00 -1.57 0.00 0.00 175.55 174.92 3fgt h PRO 524 N 6.37 0.00 -3.01 -1.71 0.13 -1.97 -3.45 132.00 128.36 3fgt h PRO 524 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3fgt h PRO 524 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 3fgt h PRO 524 CO 0.50 0.06 0.17 -0.59 -0.23 0.00 0.00 178.00 177.91 3fgt s PHE 525 N -3.69 -0.50 0.33 1.56 -0.71 -1.26 -5.09 117.98 108.63 3fgt s PHE 525 Ca 0.01 0.30 0.05 0.00 -1.04 0.00 0.00 56.93 56.26 3fgt s PHE 525 Cb 0.09 0.51 0.70 0.00 -1.21 0.00 0.00 43.02 43.12 3fgt s PHE 525 CO 0.57 -0.82 1.89 0.37 -1.34 0.00 0.00 175.22 175.89 3fgt h GLN 526 N 2.10 0.80 -0.93 1.99 5.75 -2.00 -2.50 115.11 120.32 3fgt h GLN 526 Ca -0.34 -0.05 0.24 0.00 -0.15 0.00 0.00 58.65 58.35 3fgt h GLN 526 Cb 1.29 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 29.61 3fgt h GLN 526 CO 0.39 0.53 0.63 0.00 -2.65 0.00 0.00 178.83 177.74 3fgt h ALA 527 N 1.57 2.49 -0.01 3.38 0.00 -1.99 -1.48 119.26 123.22 3fgt h ALA 527 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3fgt h ALA 527 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3fgt h ALA 527 CO -0.19 -0.78 -0.21 1.28 0.00 0.00 0.00 179.25 179.36 3fgt n LEU 528 N -4.42 0.87 -4.72 0.00 4.77 -0.94 -4.86 117.00 107.69 3fgt n LEU 528 Ca 0.20 -0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 3fgt n LEU 528 Cb 0.84 -0.14 0.16 0.00 -2.33 0.00 0.00 43.42 41.96 3fgt n LEU 528 CO 0.33 0.16 0.67 -1.00 -1.33 0.00 0.00 177.39 176.23 3fgt s HIS 529 N -2.48 2.28 0.13 -1.77 3.76 -0.56 -4.87 115.29 111.78 3fgt s HIS 529 Ca 0.26 0.92 -0.31 0.00 -0.15 0.00 0.00 55.06 55.78 3fgt s HIS 529 Cb 0.19 -3.32 -0.10 0.00 1.11 0.00 0.00 32.58 30.47 3fgt s HIS 529 CO 0.50 -2.68 1.66 -1.14 -0.85 0.00 0.00 174.74 172.24 3fgt s GLN 530 N -5.10 4.19 -0.02 1.40 0.74 -1.26 -4.80 119.66 114.80 3fgt s GLN 530 Ca 0.65 2.42 -0.14 0.00 0.05 0.00 0.00 55.36 58.33 3fgt s GLN 530 Cb -0.17 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.59 3fgt s GLN 530 CO 0.56 -0.71 0.31 1.03 -0.55 0.00 0.00 175.29 175.92 3fgt s ARG 531 N 1.95 0.64 -1.46 1.67 0.52 -0.98 -4.94 118.95 116.35 3fgt s ARG 531 Ca 0.74 -0.14 -0.13 0.00 -0.52 0.00 0.00 55.73 55.68 3fgt s ARG 531 Cb -0.43 0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.36 3fgt s ARG 531 CO 0.33 -0.17 2.28 0.00 0.02 0.00 0.00 175.30 177.76 3fgt n ALA 532 N 1.43 5.81 -3.59 2.13 0.00 -1.26 -0.63 120.51 124.40 3fgt n ALA 532 Ca -0.21 -3.89 -0.15 0.00 0.00 0.00 0.00 53.44 49.19 3fgt n ALA 532 Cb 0.56 -3.44 -0.07 0.00 0.00 0.00 0.00 19.45 16.51 3fgt n ALA 532 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fgt s HIS 533 N 2.64 -0.75 -3.28 0.00 5.04 -1.26 -0.54 115.29 117.14 3fgt s HIS 533 Ca 0.49 1.66 0.00 0.00 -1.54 0.00 0.00 55.06 55.67 3fgt s HIS 533 Cb 0.14 0.32 0.00 0.00 0.04 0.00 0.00 32.58 33.08 3fgt s HIS 533 CO -0.07 -0.46 0.00 0.41 -2.34 0.00 0.00 174.74 172.28 3fgt n GLY 534 N 2.10 -1.01 3.72 1.59 0.00 -0.78 -1.72 105.19 109.09 3fgt n GLY 534 Ca -0.16 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3fgt n GLY 534 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fgt s GLY 535 N 0.00 1.95 0.00 -0.02 0.00 0.24 -0.49 107.32 109.00 3fgt s GLY 535 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 3fgt s GLY 535 CO 0.00 2.37 0.67 0.29 0.00 0.00 0.00 173.10 176.43 3fgt n ILE 536 N 3.87 0.37 -3.77 0.90 -5.35 0.15 -3.62 119.36 111.92 3fgt n ILE 536 Ca 0.11 -0.67 -0.01 0.00 -0.27 0.00 0.00 62.75 61.91 3fgt n ILE 536 Cb 0.42 0.84 -0.00 0.00 -1.74 0.00 0.00 39.64 39.15 3fgt n ILE 536 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3fgt s ASP 537 N -0.37 -0.08 -0.00 7.28 1.47 -1.22 0.17 116.67 123.91 3fgt s ASP 537 Ca 0.00 -0.38 0.00 0.00 1.18 0.00 0.00 52.55 53.35 3fgt s ASP 537 Cb 0.00 0.37 -0.00 0.00 -0.34 0.00 0.00 42.92 42.95 3fgt s ASP 537 CO 0.00 -0.71 -0.02 0.54 0.68 0.00 0.00 175.17 175.67 3fgt s VAL 538 N -2.66 0.12 -0.04 2.11 0.11 -0.18 -3.78 120.40 116.08 3fgt s VAL 538 Ca 0.17 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 3fgt s VAL 538 Cb 0.00 -0.11 -0.00 0.00 -1.53 0.00 0.00 36.38 34.74 3fgt s VAL 538 CO 0.01 0.04 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.12 3fgt s LYS 539 N -0.02 1.66 -0.00 1.54 3.01 -0.22 -0.20 119.74 125.51 3fgt s LYS 539 Ca 0.00 -0.54 0.02 0.00 -1.01 0.00 0.00 55.97 54.44 3fgt s LYS 539 Cb -0.01 -1.44 -0.01 0.00 -1.01 0.00 0.00 37.83 35.36 3fgt s LYS 539 CO -0.00 0.20 -0.07 0.08 0.51 0.00 0.00 175.35 176.07 3fgt s VAL 540 N 0.13 0.55 0.23 3.17 1.01 0.21 -1.26 120.40 124.45 3fgt s VAL 540 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3fgt s VAL 540 Cb -0.12 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 3fgt s VAL 540 CO 0.02 0.14 0.11 0.28 0.00 0.00 0.00 175.10 175.65 3fgt s THR 541 N -0.20 0.28 0.32 3.92 -1.32 -0.08 0.10 115.64 118.66 3fgt s THR 541 Ca 0.02 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.56 3fgt s THR 541 Cb -0.03 -2.56 -0.03 0.00 -1.51 0.00 0.00 72.50 68.37 3fgt s THR 541 CO -0.00 -0.01 0.23 -0.94 -2.21 0.00 0.00 174.62 171.68 3fgt s SER 542 N -3.23 1.57 0.17 8.08 1.04 -1.26 -1.22 113.70 118.85 3fgt s SER 542 Ca 0.38 -1.68 -0.14 0.00 0.48 0.00 0.00 55.95 54.99 3fgt s SER 542 Cb 0.07 0.51 0.12 0.00 0.10 0.00 0.00 66.02 66.82 3fgt s SER 542 CO 0.13 -1.00 1.77 0.15 0.98 0.00 0.00 173.24 175.26 3fgt h PHE 543 N 2.18 0.37 -0.19 5.02 3.57 -1.97 0.31 116.94 126.23 3fgt h PHE 543 Ca -0.28 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.02 3fgt h PHE 543 Cb 1.24 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.89 3fgt h PHE 543 CO 1.43 0.17 -0.71 1.15 -2.23 0.00 0.00 178.31 178.11 3fgt h THR 544 N 0.40 1.28 -0.20 4.41 2.02 -1.97 -2.37 112.91 116.49 3fgt h THR 544 Ca 0.21 -1.91 -0.05 0.00 0.77 0.00 0.00 66.41 65.42 3fgt h THR 544 Cb 0.15 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3fgt h THR 544 CO -0.17 0.61 -0.09 -0.07 0.37 0.00 0.00 175.52 176.17 3fgt h LEU 545 N 0.56 0.42 -0.84 2.58 3.38 -1.78 -2.30 115.31 117.34 3fgt h LEU 545 Ca -0.03 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3fgt h LEU 545 Cb 1.33 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3fgt h LEU 545 CO 0.15 0.73 0.53 0.00 0.09 0.00 0.00 178.44 179.94 3fgt h ALA 546 N 0.71 1.14 -0.83 1.53 0.00 -0.44 0.31 119.26 121.68 3fgt h ALA 546 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3fgt h ALA 546 Cb 0.57 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3fgt h ALA 546 CO 0.03 0.30 0.54 -0.22 0.00 0.00 0.00 179.25 179.90 3fgt h LYS 547 N 0.99 0.92 -0.67 0.00 3.64 -1.31 0.67 116.57 120.81 3fgt h LYS 547 Ca 0.36 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3fgt h LYS 547 Cb 0.12 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3fgt h LYS 547 CO -0.15 0.61 0.05 0.66 -2.27 0.00 0.00 179.45 178.34 3fgt n TYR 548 N -4.47 1.90 -3.61 1.91 4.01 -0.70 -4.93 117.16 111.28 3fgt n TYR 548 Ca 0.12 -0.72 -0.21 0.00 -0.16 0.00 0.00 57.90 56.93 3fgt n TYR 548 Cb 0.18 -0.50 0.06 0.00 -0.31 0.00 0.00 39.34 38.77 3fgt n TYR 548 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3fgt n MET 549 N 0.42 -5.91 -4.00 -0.72 2.81 0.23 -4.95 117.12 105.00 3fgt n MET 549 Ca 0.27 0.72 -0.08 0.00 -1.81 0.00 0.00 57.70 56.80 3fgt n MET 549 Cb 1.12 -5.53 -0.10 0.00 -0.71 0.00 0.00 33.22 28.00 3fgt n MET 549 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3fgt s SER 550 N -4.16 0.31 0.07 7.83 0.15 0.10 -4.69 113.70 113.30 3fgt s SER 550 Ca 0.12 -0.72 -0.10 0.00 0.70 0.00 0.00 55.95 55.96 3fgt s SER 550 Cb -0.06 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 3fgt s SER 550 CO 0.78 -0.51 0.21 0.00 1.20 0.00 0.00 173.24 174.91 3fgt s MET 551 N -2.95 0.79 -0.08 5.44 0.23 -1.21 -3.66 119.30 117.86 3fgt s MET 551 Ca -0.02 -0.78 -0.22 0.00 -1.03 0.00 0.00 55.69 53.64 3fgt s MET 551 Cb 0.01 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 3fgt s MET 551 CO -0.06 -0.25 0.66 -0.51 -2.03 0.00 0.00 175.02 172.83 3fgt s LEU 552 N -2.48 4.31 -0.04 0.18 2.01 0.12 -0.62 118.68 122.16 3fgt s LEU 552 Ca -0.00 1.12 0.02 0.00 0.01 0.00 0.00 54.13 55.27 3fgt s LEU 552 Cb 0.02 -3.01 0.01 0.00 0.01 0.00 0.00 46.19 43.23 3fgt s LEU 552 CO -0.08 -0.09 -0.06 0.00 1.01 0.00 0.00 176.35 177.13 3fgt s ALA 553 N 0.77 0.73 -0.06 4.21 0.00 0.72 0.68 121.76 128.81 3fgt s ALA 553 Ca 0.35 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.21 3fgt s ALA 553 Cb -0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3fgt s ALA 553 CO 0.17 0.05 -0.22 0.00 0.00 0.00 0.00 175.76 175.76 3fgt s ALA 554 N 0.61 1.96 -0.11 0.00 0.00 0.72 -0.30 121.76 124.64 3fgt s ALA 554 Ca -0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3fgt s ALA 554 Cb -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3fgt s ALA 554 CO 0.01 0.34 -0.07 0.45 0.00 0.00 0.00 175.76 176.48 3fgt s SER 555 N 0.04 4.58 0.00 0.00 0.15 -1.26 -1.01 113.70 116.20 3fgt s SER 555 Ca -0.08 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.46 3fgt s SER 555 Cb -0.14 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 3fgt s SER 555 CO 0.04 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.35 3fgt n GLY 556 N 2.91 2.56 3.73 9.45 0.00 0.13 -4.34 105.19 119.62 3fgt n GLY 556 Ca -0.18 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 3fgt n GLY 556 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fgt s PRO 557 N -2.52 2.39 0.32 1.61 0.02 -1.24 -3.44 135.00 132.14 3fgt s PRO 557 Ca 0.00 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 62.75 3fgt s PRO 557 Cb 0.00 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 3fgt s PRO 557 CO 0.00 -1.71 1.47 -0.08 -0.33 0.00 0.00 177.00 176.36 3fgt s THR 558 N -1.52 2.29 -0.06 0.99 -1.32 -1.26 -4.76 115.64 110.00 3fgt s THR 558 Ca 0.81 0.27 0.11 0.00 -1.21 0.00 0.00 61.69 61.67 3fgt s THR 558 Cb -0.36 -3.17 0.20 0.00 -1.51 0.00 0.00 72.50 67.66 3fgt s THR 558 CO 0.42 0.05 1.09 -2.67 -2.21 0.00 0.00 174.62 171.30 3fgt n TRP 559 N 1.31 0.00 -0.13 9.09 4.27 -1.26 -4.59 117.44 126.13 3fgt n TRP 559 Ca 0.04 -0.52 -0.11 0.00 -3.89 0.00 0.00 57.50 53.03 3fgt n TRP 559 Cb 0.39 -0.12 0.02 0.00 -1.36 0.00 0.00 31.31 30.25 3fgt n TRP 559 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 3fgt h ASP 560 N 0.29 0.95 0.00 -0.67 3.45 -1.90 -3.38 116.42 115.16 3fgt h ASP 560 Ca -0.04 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3fgt h ASP 560 Cb 1.34 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 3fgt h ASP 560 CO 0.02 1.14 -0.24 0.00 -1.57 0.00 0.00 179.24 178.60 3fgt n GLN 561 N -4.10 0.00 -4.25 3.56 6.02 -1.26 -5.06 117.38 112.29 3fgt n GLN 561 Ca -0.00 -0.60 -0.21 0.00 -0.01 0.00 0.00 57.00 56.18 3fgt n GLN 561 Cb 0.47 -0.37 -0.12 0.00 1.02 0.00 0.00 30.24 31.24 3fgt n GLN 561 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fgt s PRO 563 N -1.72 4.02 0.28 0.00 0.04 -1.26 -4.43 135.00 131.93 3fgt s PRO 563 Ca 0.02 2.40 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 3fgt s PRO 563 Cb -0.10 -2.87 -0.14 0.00 0.04 0.00 0.00 34.50 31.43 3fgt s PRO 563 CO 0.03 -0.54 1.12 -2.30 0.04 0.00 0.00 177.00 175.35 3fgt n PRO 564 N 0.29 1.55 -2.34 0.56 -0.02 -1.26 -4.84 135.00 128.94 3fgt n PRO 564 Ca 0.02 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3fgt n PRO 564 Cb 0.41 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3fgt n PRO 564 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fgt s PHE 565 N -0.85 3.39 -0.14 6.00 5.36 -1.25 -4.88 117.98 125.61 3fgt s PHE 565 Ca 0.61 1.49 -0.04 0.00 -0.96 0.00 0.00 56.93 58.03 3fgt s PHE 565 Cb -0.69 -3.45 0.07 0.00 -0.34 0.00 0.00 43.02 38.61 3fgt s PHE 565 CO 0.58 -1.18 0.22 -1.14 -1.46 0.00 0.00 175.22 172.25 3fgt s GLN 566 N -0.94 0.13 0.14 10.12 0.74 -1.26 0.02 119.66 128.61 3fgt s GLN 566 Ca 0.50 0.56 -0.23 0.00 0.05 0.00 0.00 55.36 56.24 3fgt s GLN 566 Cb -0.34 -0.40 -0.00 0.00 1.10 0.00 0.00 33.01 33.36 3fgt s GLN 566 CO 0.41 -0.39 1.65 -1.49 -0.55 0.00 0.00 175.29 174.92 3fgt h TRP 567 N 8.32 -0.52 0.00 1.67 4.06 -1.08 -1.31 115.95 127.09 3fgt h TRP 567 Ca -0.15 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 3fgt h TRP 567 Cb 1.12 0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 29.54 3fgt h TRP 567 CO 0.33 -0.28 -0.04 0.66 -3.56 0.00 0.00 178.44 175.55 3fgt h SER 568 N -0.24 0.00 -1.37 -3.49 4.64 -1.87 -2.11 113.55 109.11 3fgt h SER 568 Ca 0.11 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.78 3fgt h SER 568 Cb 0.40 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.13 3fgt h SER 568 CO -0.30 0.04 0.07 0.29 -0.87 0.00 0.00 176.83 176.06 3fgt n LYS 569 N -3.31 3.14 -4.06 4.77 4.01 -0.52 -4.85 118.16 117.35 3fgt n LYS 569 Ca -0.02 -3.92 -0.09 0.00 -0.51 0.00 0.00 58.31 53.78 3fgt n LYS 569 Cb 0.20 -2.27 -0.09 0.00 -0.51 0.00 0.00 35.03 32.36 3fgt n LYS 569 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3fgt s SER 570 N -2.54 0.25 0.00 4.39 1.04 -0.81 -4.63 113.70 111.41 3fgt s SER 570 Ca 0.53 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 56.00 3fgt s SER 570 Cb 0.44 0.32 0.32 0.00 0.10 0.00 0.00 66.02 67.19 3fgt s SER 570 CO -0.16 -0.75 0.98 -2.65 0.98 0.00 0.00 173.24 171.64 3fgt n PRO 571 N -0.08 0.11 -0.07 4.02 -0.02 -1.26 -3.26 135.00 134.44 3fgt n PRO 571 Ca -0.09 0.17 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 3fgt n PRO 571 Cb 0.63 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.75 3fgt n PRO 571 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3fgt n PHE 572 N -1.21 0.01 -0.02 6.00 3.72 -1.26 -4.76 117.46 119.94 3fgt n PHE 572 Ca 0.03 -1.00 0.21 0.00 -0.05 0.00 0.00 57.45 56.65 3fgt n PHE 572 Cb 0.04 -0.15 0.70 0.00 -0.94 0.00 0.00 39.48 39.13 3fgt n PHE 572 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3fgt h HIS 573 N 0.02 0.00 -0.00 1.38 2.07 -1.50 -1.10 115.15 116.03 3fgt h HIS 573 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3fgt h HIS 573 Cb 1.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.98 3fgt h HIS 573 CO 0.01 0.00 -0.25 0.43 -3.07 0.00 0.00 177.93 175.05 3fgt n SER 574 N -4.30 0.28 -4.77 3.10 7.64 -1.26 -4.80 113.62 109.51 3fgt n SER 574 Ca 0.11 0.05 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 3fgt n SER 574 Cb 0.65 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 3fgt n SER 574 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3fgt s MET 575 N -2.96 4.04 0.04 1.43 1.00 -0.42 -4.95 119.30 117.49 3fgt s MET 575 Ca 0.14 1.94 -0.31 0.00 0.00 0.00 0.00 55.69 57.46 3fgt s MET 575 Cb 0.18 -2.71 -0.07 0.00 0.00 0.00 0.00 34.83 32.23 3fgt s MET 575 CO 0.61 -0.36 1.45 -1.17 0.00 0.00 0.00 175.02 175.54 3fgt s LEU 576 N -2.45 4.34 -0.35 -0.03 2.96 -1.26 -4.88 118.68 117.00 3fgt s LEU 576 Ca 0.57 2.25 0.14 0.00 -0.22 0.00 0.00 54.13 56.87 3fgt s LEU 576 Cb -0.33 -3.57 0.43 0.00 0.50 0.00 0.00 46.19 43.22 3fgt s LEU 576 CO 0.42 -0.74 1.14 0.00 -1.32 0.00 0.00 176.35 175.86 3fgt n HIS 577 N 5.04 -0.48 -1.67 5.38 1.44 -1.26 -4.79 115.22 118.88 3fgt n HIS 577 Ca 0.13 -2.37 -0.45 0.00 -2.01 0.00 0.00 57.72 53.02 3fgt n HIS 577 Cb 0.43 0.53 -0.03 0.00 0.12 0.00 0.00 29.99 31.04 3fgt n HIS 577 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3fgt n MET 578 N -0.34 2.06 -0.16 -1.40 2.81 -1.26 -1.81 117.12 117.01 3fgt n MET 578 Ca 0.03 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 3fgt n MET 578 Cb 0.83 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 3fgt n MET 578 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fgt n GLY 579 N 2.23 2.31 3.81 3.03 0.00 -1.26 -4.97 105.19 110.34 3fgt n GLY 579 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3fgt n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgt s GLN 580 N -0.13 4.21 0.55 1.61 -0.21 -0.75 -5.04 119.66 119.91 3fgt s GLN 580 Ca 0.00 0.75 -0.20 0.00 0.02 0.00 0.00 55.36 55.93 3fgt s GLN 580 Cb 0.00 -3.22 -0.07 0.00 1.00 0.00 0.00 33.01 30.72 3fgt s GLN 580 CO 0.00 0.63 0.90 -2.30 -2.12 0.00 0.00 175.29 172.39 3fgt n PRO 581 N 1.65 0.95 -0.04 2.91 -0.02 -1.26 -4.93 135.00 134.27 3fgt n PRO 581 Ca -0.10 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3fgt n PRO 581 Cb 0.51 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 3fgt n PRO 581 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3fgt h ASP 582 N 0.72 0.01 -3.06 2.55 3.58 -1.95 -3.45 116.42 114.82 3fgt h ASP 582 Ca -0.47 -0.73 -0.63 0.00 0.42 0.00 0.00 57.03 55.62 3fgt h ASP 582 Cb 1.36 -0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.30 3fgt h ASP 582 CO 0.52 0.74 -0.51 -0.22 -2.88 0.00 0.00 179.24 176.88 3fgt s LEU 583 N -8.74 4.15 -0.52 2.28 2.96 -1.26 -0.47 118.68 117.07 3fgt s LEU 583 Ca -0.17 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3fgt s LEU 583 Cb -0.01 -2.04 0.14 0.00 0.50 0.00 0.00 46.19 44.78 3fgt s LEU 583 CO 0.68 0.27 0.33 0.26 -1.32 0.00 0.00 176.35 176.58 3fgt s TRP 584 N -0.22 3.49 -0.27 5.38 0.52 0.10 -4.89 118.94 123.06 3fgt s TRP 584 Ca 0.10 -2.55 0.19 0.00 0.02 0.00 0.00 56.10 53.86 3fgt s TRP 584 Cb -0.12 -3.22 0.50 0.00 -1.15 0.00 0.00 33.47 29.48 3fgt s TRP 584 CO 0.01 -0.91 1.12 -1.33 0.02 0.00 0.00 176.95 175.86 3fgt n MET 585 N 4.04 2.13 -3.13 4.98 2.81 -1.26 -3.91 117.12 122.78 3fgt n MET 585 Ca 0.03 -3.65 -0.39 0.00 -1.81 0.00 0.00 57.70 51.88 3fgt n MET 585 Cb 0.39 -1.75 -0.06 0.00 -0.71 0.00 0.00 33.22 31.10 3fgt n MET 585 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3fgt s PHE 586 N -3.75 3.83 0.42 2.03 0.08 -1.26 -5.08 117.98 114.25 3fgt s PHE 586 Ca 0.32 1.44 0.01 0.00 0.12 0.00 0.00 56.93 58.82 3fgt s PHE 586 Cb 0.34 -2.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3fgt s PHE 586 CO -0.02 0.52 0.63 -1.12 -0.10 0.00 0.00 175.22 175.13 3fgt s SER 587 N -1.21 5.96 0.53 1.36 0.01 -1.26 -4.60 113.70 114.49 3fgt s SER 587 Ca 0.34 0.30 -0.22 0.00 1.31 0.00 0.00 55.95 57.68 3fgt s SER 587 Cb -0.21 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 3fgt s SER 587 CO 0.22 -0.58 1.34 -2.84 0.41 0.00 0.00 173.24 171.79 3fgt s PRO 588 N -4.47 3.26 0.06 12.44 0.02 -1.26 -4.63 135.00 140.42 3fgt s PRO 588 Ca 0.46 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.72 3fgt s PRO 588 Cb -0.10 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 3fgt s PRO 588 CO 0.37 -1.08 -0.13 0.96 -0.33 0.00 0.00 177.00 176.79 3fgt s ILE 589 N -1.32 0.98 -0.03 2.83 -5.25 0.59 -4.92 121.20 114.09 3fgt s ILE 589 Ca 0.70 -1.22 -0.30 0.00 -0.99 0.00 0.00 60.65 58.84 3fgt s ILE 589 Cb -0.39 -0.96 -0.03 0.00 2.95 0.00 0.00 42.46 44.03 3fgt s ILE 589 CO 0.47 -0.24 1.08 -0.60 -1.79 0.00 0.00 174.94 173.86 3fgt s ARG 590 N -1.64 4.45 -0.40 0.37 6.06 -1.26 -0.20 118.95 126.33 3fgt s ARG 590 Ca -0.03 1.54 0.01 0.00 -2.50 0.00 0.00 55.73 54.75 3fgt s ARG 590 Cb -0.10 -3.48 0.12 0.00 0.06 0.00 0.00 34.95 31.56 3fgt s ARG 590 CO 0.02 -0.25 0.19 0.08 -2.50 0.00 0.00 175.30 172.84 3fgt s VAL 591 N 1.54 1.33 -0.41 7.11 1.01 0.21 -4.96 120.40 126.23 3fgt s VAL 591 Ca 0.53 -2.24 0.03 0.00 0.00 0.00 0.00 61.98 60.31 3fgt s VAL 591 Cb -0.23 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3fgt s VAL 591 CO 0.24 -0.82 0.61 -0.81 0.00 0.00 0.00 175.10 174.32