#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa9 s ASP 238 N 0.00 4.50 0.47 -1.84 -1.08 -1.26 -5.10 116.67 112.36 1wa9 s ASP 238 Ca 0.00 -3.56 0.00 0.00 -0.52 0.00 0.00 52.55 48.47 1wa9 s ASP 238 Cb 0.00 -1.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.90 1wa9 s ASP 238 CO 0.00 -0.13 0.00 -1.54 0.52 0.00 0.00 175.17 174.02 1wa9 n SER 239 N 2.36 0.00 -3.47 -0.34 3.41 -1.26 -4.61 113.62 109.71 1wa9 n SER 239 Ca 0.16 -0.92 -0.12 0.00 -0.26 0.00 0.00 58.87 57.73 1wa9 n SER 239 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1wa9 n SER 239 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1wa9 s PHE 240 N 0.06 -0.46 0.31 7.33 -0.12 -0.89 -4.80 117.98 119.41 1wa9 s PHE 240 Ca 0.00 0.23 0.03 0.00 -0.05 0.00 0.00 56.93 57.14 1wa9 s PHE 240 Cb 0.00 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1wa9 s PHE 240 CO 0.00 -0.81 0.12 0.00 -0.05 0.00 0.00 175.22 174.48 1wa9 s VAL 243 N -1.98 3.15 -0.03 0.00 1.01 0.16 -1.46 120.40 121.24 1wa9 s VAL 243 Ca -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1wa9 s VAL 243 Cb -0.01 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1wa9 s VAL 243 CO 0.02 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.91 1wa9 s ILE 244 N 0.96 3.73 0.09 2.22 -1.09 0.27 0.15 121.20 127.53 1wa9 s ILE 244 Ca -0.01 -0.61 -0.27 0.00 -2.23 0.00 0.00 60.65 57.54 1wa9 s ILE 244 Cb -0.15 -2.58 -0.06 0.00 -1.58 0.00 0.00 42.46 38.09 1wa9 s ILE 244 CO -0.00 0.50 0.83 -0.55 -1.23 0.00 0.00 174.94 174.48 1wa9 s SER 245 N -1.13 7.34 -0.04 3.58 0.15 -1.03 0.24 113.70 122.81 1wa9 s SER 245 Ca 0.15 1.60 0.09 0.00 0.70 0.00 0.00 55.95 58.48 1wa9 s SER 245 Cb -0.11 -2.51 0.33 0.00 -1.71 0.00 0.00 66.02 62.01 1wa9 s SER 245 CO 0.05 0.03 1.17 0.23 1.20 0.00 0.00 173.24 175.92 1wa9 n MET 246 N 2.53 2.18 -0.10 5.44 2.81 -1.25 -1.83 117.12 126.90 1wa9 n MET 246 Ca -0.02 -1.30 -0.19 0.00 -1.81 0.00 0.00 57.70 54.39 1wa9 n MET 246 Cb 0.49 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.40 1wa9 n MET 246 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1wa9 h HIS 247 N 1.90 0.00 0.00 2.03 -0.00 -1.91 -3.43 115.15 113.75 1wa9 h HIS 247 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1wa9 h HIS 247 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1wa9 h HIS 247 CO 0.33 1.30 -1.16 -0.40 -0.00 0.00 0.00 177.93 178.01 1wa9 n ASP 248 N -4.48 4.28 0.00 3.26 5.68 -1.26 -5.06 116.55 118.97 1wa9 n ASP 248 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 1wa9 n ASP 248 Cb 0.61 1.03 0.00 0.00 -1.14 0.00 0.00 41.12 41.62 1wa9 n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wa9 n GLY 249 N 2.42 0.76 3.82 6.12 0.00 -0.76 -5.04 105.19 112.51 1wa9 n GLY 249 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1wa9 n GLY 249 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wa9 s ILE 250 N -2.06 5.00 0.54 -0.61 -4.36 -1.25 -2.78 121.20 115.69 1wa9 s ILE 250 Ca 0.00 0.91 -0.22 0.00 -0.26 0.00 0.00 60.65 61.09 1wa9 s ILE 250 Cb 0.00 -3.75 -0.06 0.00 1.25 0.00 0.00 42.46 39.90 1wa9 s ILE 250 CO 0.00 0.54 1.26 1.33 0.24 0.00 0.00 174.94 178.31 1wa9 n VAL 251 N 2.06 3.65 -0.00 8.37 0.24 -0.58 -2.46 118.33 129.61 1wa9 n VAL 251 Ca -0.12 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1wa9 n VAL 251 Cb 0.52 -1.53 -0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1wa9 n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1wa9 n LEU 252 N -0.79 0.90 -3.83 1.34 4.32 0.39 -2.48 117.00 116.86 1wa9 n LEU 252 Ca 0.11 -0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.99 1wa9 n LEU 252 Cb 0.44 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.16 1wa9 n LEU 252 CO 0.53 0.16 -0.07 -0.31 -1.22 0.00 0.00 177.39 176.48 1wa9 s TYR 253 N -2.01 0.03 -0.02 -1.77 2.02 -1.17 -4.90 117.35 109.53 1wa9 s TYR 253 Ca -0.00 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1wa9 s TYR 253 Cb 0.00 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.56 1wa9 s TYR 253 CO 0.01 -0.46 0.06 0.99 -1.57 0.00 0.00 175.55 174.58 1wa9 s THR 254 N -2.68 0.01 0.68 -0.71 2.01 -1.26 -0.67 115.64 113.01 1wa9 s THR 254 Ca -0.04 -0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.78 1wa9 s THR 254 Cb -0.00 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.41 1wa9 s THR 254 CO -0.04 -0.03 1.09 0.42 -0.69 0.00 0.00 174.62 175.37 1wa9 s THR 255 N -0.05 3.51 0.27 -0.82 -4.23 -0.86 -4.91 115.64 108.55 1wa9 s THR 255 Ca -0.01 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.10 1wa9 s THR 255 Cb -0.01 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.93 1wa9 s THR 255 CO 0.00 -0.52 1.83 -0.65 -0.54 0.00 0.00 174.62 174.74 1wa9 h PRO 256 N -0.30 0.90 0.00 3.99 0.11 -1.95 -2.32 132.00 132.43 1wa9 h PRO 256 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wa9 h PRO 256 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1wa9 h PRO 256 CO 0.54 0.60 0.19 -1.13 -0.21 0.00 0.00 178.00 177.99 1wa9 n SER 257 N -4.66 0.12 -0.29 -2.05 3.41 -1.26 -2.66 113.62 106.23 1wa9 n SER 257 Ca 0.17 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 1wa9 n SER 257 Cb 0.31 -0.40 0.26 0.00 -0.26 0.00 0.00 64.21 64.11 1wa9 n SER 257 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1wa9 h ILE 258 N 0.00 0.33 0.18 -1.33 -0.00 -1.73 -1.78 117.51 113.19 1wa9 h ILE 258 Ca 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 64.86 64.78 1wa9 h ILE 258 Cb 0.38 0.12 0.00 0.00 -0.00 0.00 0.00 36.82 37.32 1wa9 h ILE 258 CO 0.00 0.04 -0.09 0.74 -0.00 0.00 0.00 178.15 178.84 1wa9 h THR 259 N 0.20 0.90 0.00 2.19 2.02 -1.48 -1.63 112.91 115.10 1wa9 h THR 259 Ca 0.52 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1wa9 h THR 259 Cb 1.01 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1wa9 h THR 259 CO -0.65 0.08 0.00 0.47 0.37 0.00 0.00 175.52 175.79 1wa9 n ASP 260 N -5.12 0.36 -0.13 4.18 9.92 -0.74 1.00 116.55 126.02 1wa9 n ASP 260 Ca -0.09 0.58 -0.20 0.00 -0.53 0.00 0.00 54.79 54.56 1wa9 n ASP 260 Cb 0.18 -0.66 -0.11 0.00 -0.64 0.00 0.00 41.12 39.89 1wa9 n ASP 260 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1wa9 n VAL 261 N -1.89 1.43 -0.36 2.53 0.31 -0.77 -4.64 118.33 114.95 1wa9 n VAL 261 Ca 0.03 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.89 1wa9 n VAL 261 Cb 0.21 -1.49 0.06 0.00 -0.91 0.00 0.00 33.84 31.71 1wa9 n VAL 261 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1wa9 n LEU 262 N -3.46 2.26 0.00 7.52 4.77 -0.62 -4.99 117.00 122.48 1wa9 n LEU 262 Ca -0.46 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 1wa9 n LEU 262 Cb 0.95 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1wa9 n LEU 262 CO 0.20 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1wa9 n GLY 263 N -0.68 0.38 3.77 -0.72 0.00 0.28 -2.02 105.19 106.21 1wa9 n GLY 263 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1wa9 n GLY 263 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wa9 s TYR 264 N -1.85 2.70 0.33 1.61 2.02 -1.24 -4.75 117.35 116.17 1wa9 s TYR 264 Ca 0.00 1.53 -0.28 0.00 -0.37 0.00 0.00 57.07 57.95 1wa9 s TYR 264 Cb 0.00 -3.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.09 1wa9 s TYR 264 CO 0.00 -1.69 1.14 -2.14 -1.57 0.00 0.00 175.55 171.29 1wa9 s PRO 265 N -3.02 4.42 0.00 -1.71 0.02 -1.26 -3.24 135.00 130.21 1wa9 s PRO 265 Ca 0.69 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1wa9 s PRO 265 Cb -0.27 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1wa9 s PRO 265 CO 0.32 0.00 0.17 -2.13 -0.33 0.00 0.00 177.00 175.03 1wa9 n ARG 266 N 0.75 0.00 -0.44 5.54 3.00 -1.26 -0.14 116.66 124.11 1wa9 n ARG 266 Ca 0.01 0.17 0.05 0.00 -0.00 0.00 0.00 57.85 58.07 1wa9 n ARG 266 Cb 0.45 -0.27 0.22 0.00 0.00 0.00 0.00 32.46 32.86 1wa9 n ARG 266 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1wa9 n ASP 267 N -1.68 3.33 -0.19 6.15 10.43 -1.26 -4.54 116.55 128.79 1wa9 n ASP 267 Ca 0.00 -2.40 -0.04 0.00 2.57 0.00 0.00 54.79 54.93 1wa9 n ASP 267 Cb 0.00 -0.52 0.06 0.00 1.84 0.00 0.00 41.12 42.50 1wa9 n ASP 267 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 1wa9 h MET 268 N 2.32 0.58 -0.03 -1.24 4.05 -0.90 -3.00 114.93 116.72 1wa9 h MET 268 Ca 0.00 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.23 1wa9 h MET 268 Cb 1.15 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 1wa9 h MET 268 CO 0.21 0.39 -0.70 -1.49 0.23 0.00 0.00 176.91 175.54 1wa9 h TRP 269 N 0.60 0.22 -1.33 1.39 4.06 -1.80 -3.45 115.95 115.64 1wa9 h TRP 269 Ca 0.25 -0.10 -0.76 0.00 2.06 0.00 0.00 58.89 60.34 1wa9 h TRP 269 Cb 0.12 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1wa9 h TRP 269 CO -0.08 0.81 0.95 1.28 -3.56 0.00 0.00 178.44 177.83 1wa9 n LEU 270 N -3.77 2.11 0.00 -4.49 4.77 -1.13 0.43 117.00 114.91 1wa9 n LEU 270 Ca -0.02 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 1wa9 n LEU 270 Cb 0.69 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1wa9 n LEU 270 CO 0.45 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1wa9 n GLY 271 N 4.59 2.58 3.93 -0.72 0.00 -1.04 -5.03 105.19 109.51 1wa9 n GLY 271 Ca 0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 1wa9 n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wa9 s ARG 272 N -0.92 3.26 0.04 1.61 0.52 0.17 -4.84 118.95 118.79 1wa9 s ARG 272 Ca 0.00 -0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 1wa9 s ARG 272 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1wa9 s ARG 272 CO 0.00 -0.22 0.91 0.45 0.02 0.00 0.00 175.30 176.47 1wa9 s SER 273 N -4.16 7.36 0.30 0.23 0.15 -1.26 -1.52 113.70 114.80 1wa9 s SER 273 Ca 0.47 1.63 -0.00 0.00 0.70 0.00 0.00 55.95 58.75 1wa9 s SER 273 Cb -0.10 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.16 1wa9 s SER 273 CO 0.40 -0.13 1.94 0.15 1.20 0.00 0.00 173.24 176.80 1wa9 h PHE 274 N 6.16 1.03 -0.84 3.44 3.57 -1.87 -2.70 116.94 125.73 1wa9 h PHE 274 Ca -0.42 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.17 1wa9 h PHE 274 Cb 1.21 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 1wa9 h PHE 274 CO 0.66 0.60 0.54 -0.84 -2.23 0.00 0.00 178.31 177.04 1wa9 h ILE 275 N 1.06 1.03 0.00 1.41 3.07 -1.93 -2.11 117.51 120.05 1wa9 h ILE 275 Ca 0.34 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.44 1wa9 h ILE 275 Cb 0.04 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 36.64 1wa9 h ILE 275 CO -0.10 0.16 0.49 0.44 -1.05 0.00 0.00 178.15 178.09 1wa9 h ASP 276 N 0.90 0.00 -0.09 2.16 3.32 -1.89 1.17 116.42 122.00 1wa9 h ASP 276 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1wa9 h ASP 276 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1wa9 h ASP 276 CO -0.13 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.88 1wa9 n PHE 277 N -2.21 0.09 -3.62 4.55 3.01 -0.79 -4.90 117.46 113.58 1wa9 n PHE 277 Ca -0.01 -0.07 -0.37 0.00 1.01 0.00 0.00 57.45 58.01 1wa9 n PHE 277 Cb 0.51 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.87 1wa9 n PHE 277 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1wa9 s VAL 278 N -1.27 5.29 0.08 -4.37 1.01 0.40 -1.93 120.40 119.61 1wa9 s VAL 278 Ca 0.20 0.16 -0.37 0.00 0.00 0.00 0.00 61.98 61.98 1wa9 s VAL 278 Cb 0.14 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.84 1wa9 s VAL 278 CO 0.20 0.29 1.22 1.57 0.00 0.00 0.00 175.10 178.38 1wa9 n HIS 279 N 4.78 1.21 0.06 5.22 -0.00 -0.37 -4.74 115.22 121.38 1wa9 n HIS 279 Ca -0.14 0.76 0.21 0.00 0.46 0.00 0.00 57.72 59.00 1wa9 n HIS 279 Cb 0.52 -2.25 0.69 0.00 -0.12 0.00 0.00 29.99 28.83 1wa9 n HIS 279 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wa9 h LEU 280 N 3.89 0.00 0.00 0.27 7.12 -1.92 0.32 115.31 124.99 1wa9 h LEU 280 Ca -0.47 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1wa9 h LEU 280 Cb 1.36 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1wa9 h LEU 280 CO 0.73 0.00 -0.00 0.07 -0.13 0.00 0.00 178.44 179.10 1wa9 h LYS 281 N 0.00 0.00 -0.02 1.25 2.10 -1.98 -3.29 116.57 114.63 1wa9 h LYS 281 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1wa9 h LYS 281 Cb 1.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1wa9 h LYS 281 CO -0.00 0.00 -0.21 -0.25 -2.00 0.00 0.00 179.45 176.98 1wa9 n ASP 282 N -2.85 2.12 0.12 7.07 8.00 0.11 -4.49 116.55 126.64 1wa9 n ASP 282 Ca 0.04 -1.56 0.05 0.00 0.71 0.00 0.00 54.79 54.03 1wa9 n ASP 282 Cb 0.50 0.27 0.48 0.00 -0.02 0.00 0.00 41.12 42.35 1wa9 n ASP 282 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1wa9 h ARG 283 N 2.76 0.27 0.21 -1.24 3.08 -1.58 -0.45 114.38 117.42 1wa9 h ARG 283 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1wa9 h ARG 283 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1wa9 h ARG 283 CO 0.00 0.25 -0.10 0.00 -1.07 0.00 0.00 179.97 179.05 1wa9 h ALA 284 N 1.79 -0.28 -0.33 0.04 0.00 -1.82 -0.09 119.26 118.57 1wa9 h ALA 284 Ca 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1wa9 h ALA 284 Cb 0.10 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1wa9 h ALA 284 CO -0.00 -0.59 0.06 1.15 0.00 0.00 0.00 179.25 179.87 1wa9 h THR 285 N -0.41 0.83 -0.54 0.00 2.02 -1.69 -0.82 112.91 112.29 1wa9 h THR 285 Ca -0.03 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1wa9 h THR 285 Cb 0.32 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1wa9 h THR 285 CO 0.05 0.03 0.32 0.15 0.37 0.00 0.00 175.52 176.44 1wa9 h PHE 286 N 0.18 0.60 -0.54 3.16 3.04 -0.91 -1.75 116.94 120.71 1wa9 h PHE 286 Ca 0.16 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 1wa9 h PHE 286 Cb 0.18 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 1wa9 h PHE 286 CO -0.18 0.33 0.20 0.00 -2.02 0.00 0.00 178.31 176.64 1wa9 h ALA 287 N 1.25 0.70 -0.99 2.41 0.00 -0.59 -2.06 119.26 119.97 1wa9 h ALA 287 Ca 0.22 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1wa9 h ALA 287 Cb 0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 1wa9 h ALA 287 CO -0.10 0.32 0.63 1.03 0.00 0.00 0.00 179.25 181.13 1wa9 h SER 288 N 0.73 0.56 0.00 0.00 0.87 -0.50 -1.69 113.55 113.53 1wa9 h SER 288 Ca 0.18 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wa9 h SER 288 Cb 0.22 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1wa9 h SER 288 CO -0.01 0.17 -0.00 1.56 -0.53 0.00 0.00 176.83 178.02 1wa9 h GLN 289 N 0.53 -0.00 -0.97 2.24 1.08 -0.68 -2.84 115.11 114.46 1wa9 h GLN 289 Ca 0.56 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.76 1wa9 h GLN 289 Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1wa9 h GLN 289 CO -0.30 0.71 0.01 0.44 -0.95 0.00 0.00 178.83 178.73 1wa9 n ILE 290 N -4.75 0.33 -0.02 2.54 -0.00 -0.82 -2.80 119.36 113.84 1wa9 n ILE 290 Ca -0.09 -0.12 -0.03 0.00 -0.00 0.00 0.00 62.75 62.51 1wa9 n ILE 290 Cb 0.35 -0.53 -0.03 0.00 -0.00 0.00 0.00 39.64 39.43 1wa9 n ILE 290 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1wa9 n THR 291 N 0.09 0.28 -1.20 7.28 -1.04 -0.70 -4.06 114.28 114.93 1wa9 n THR 291 Ca 0.03 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 1wa9 n THR 291 Cb 0.36 -0.79 0.10 0.00 -1.82 0.00 0.00 70.33 68.18 1wa9 n THR 291 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wa9 n THR 292 N -2.40 3.37 -0.44 12.58 -2.24 -1.08 -4.06 114.28 120.02 1wa9 n THR 292 Ca -0.08 -2.47 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 1wa9 n THR 292 Cb 0.61 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1wa9 n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa9 n GLY 293 N -0.79 0.59 1.64 3.38 0.00 -1.16 -5.00 105.19 103.86 1wa9 n GLY 293 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1wa9 n GLY 293 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wa9 n ILE 294 N 0.00 0.10 -0.38 -0.61 0.13 -1.26 -4.91 119.36 112.43 1wa9 n ILE 294 Ca 0.00 -0.02 -0.13 0.00 -1.10 0.00 0.00 62.75 61.50 1wa9 n ILE 294 Cb 0.00 -0.86 0.01 0.00 -0.84 0.00 0.00 39.64 37.95 1wa9 n ILE 294 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wa9 n ALA 307 N 1.63 -2.86 -2.61 1.51 0.00 -1.26 -5.07 120.51 111.84 1wa9 n ALA 307 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 1wa9 n ALA 307 Cb 0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1wa9 n ALA 307 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wa9 s LYS 308 N -0.53 4.05 0.88 0.00 2.47 -1.26 -5.06 119.74 120.28 1wa9 s LYS 308 Ca 0.16 0.23 -0.13 0.00 -1.56 0.00 0.00 55.97 54.67 1wa9 s LYS 308 Cb -0.11 -3.66 0.15 0.00 -1.46 0.00 0.00 37.83 32.75 1wa9 s LYS 308 CO 0.26 -0.33 1.23 -1.54 0.16 0.00 0.00 175.35 175.13 1wa9 s SER 309 N 1.58 3.76 0.05 1.43 1.04 -1.26 -5.06 113.70 115.23 1wa9 s SER 309 Ca 0.19 0.39 0.01 0.00 0.48 0.00 0.00 55.95 57.02 1wa9 s SER 309 Cb -0.16 -0.64 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 1wa9 s SER 309 CO 0.09 -2.33 -0.06 0.42 0.98 0.00 0.00 173.24 172.34 1wa9 s THR 310 N -3.69 0.45 0.36 2.02 -4.23 -1.26 -4.47 115.64 104.82 1wa9 s THR 310 Ca 0.69 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.01 1wa9 s THR 310 Cb -0.07 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 1wa9 s THR 310 CO 0.50 -0.54 0.19 0.72 -0.54 0.00 0.00 174.62 174.96 1wa9 s PHE 311 N -1.97 1.74 0.19 3.99 -0.12 -1.07 -4.92 117.98 115.82 1wa9 s PHE 311 Ca -0.06 -1.44 0.09 0.00 -0.05 0.00 0.00 56.93 55.46 1wa9 s PHE 311 Cb -0.06 -0.94 -0.04 0.00 -0.63 0.00 0.00 43.02 41.35 1wa9 s PHE 311 CO -0.02 -0.55 -0.09 0.00 -0.05 0.00 0.00 175.22 174.52 1wa9 s VAL 313 N -1.76 0.00 -0.18 0.00 0.11 -0.82 -4.92 120.40 112.83 1wa9 s VAL 313 Ca 0.25 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 1wa9 s VAL 313 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1wa9 s VAL 313 CO 0.15 0.00 0.31 -0.04 -3.33 0.00 0.00 175.10 172.20 1wa9 s MET 314 N -1.91 4.21 0.06 1.54 -1.94 -1.26 -1.33 119.30 118.67 1wa9 s MET 314 Ca -0.05 0.09 0.06 0.00 -1.71 0.00 0.00 55.69 54.08 1wa9 s MET 314 Cb -0.00 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 1wa9 s MET 314 CO 0.02 0.13 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.53 1wa9 s LEU 315 N 0.82 2.93 -0.12 -0.03 1.43 -0.49 -1.24 118.68 121.98 1wa9 s LEU 315 Ca 0.16 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 1wa9 s LEU 315 Cb -0.14 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1wa9 s LEU 315 CO 0.05 0.23 0.47 0.00 0.23 0.00 0.00 176.35 177.33 1wa9 s ARG 316 N -1.75 4.33 1.31 1.70 1.70 -0.81 0.06 118.95 125.48 1wa9 s ARG 316 Ca 0.18 0.43 -0.18 0.00 -0.47 0.00 0.00 55.73 55.69 1wa9 s ARG 316 Cb -0.11 -3.43 0.33 0.00 -0.57 0.00 0.00 34.95 31.17 1wa9 s ARG 316 CO 0.09 0.18 0.97 1.03 -1.08 0.00 0.00 175.30 176.49 1wa9 s ARG 317 N 0.57 -2.04 -0.18 3.89 0.52 0.14 -4.97 118.95 116.88 1wa9 s ARG 317 Ca 0.25 0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 55.85 1wa9 s ARG 317 Cb -0.15 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 1wa9 s ARG 317 CO 0.10 -4.38 0.22 -0.47 0.02 0.00 0.00 175.30 170.79 1wa9 s TYR 318 N -2.33 3.43 0.00 -0.53 5.04 -0.85 -4.71 117.35 117.39 1wa9 s TYR 318 Ca 0.69 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1wa9 s TYR 318 Cb -0.20 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 39.84 1wa9 s TYR 318 CO 0.62 0.24 0.00 0.54 -1.34 0.00 0.00 175.55 175.61 1wa9 n ARG 319 N 3.62 0.00 -3.50 4.97 5.12 -1.26 -4.87 116.66 120.75 1wa9 n ARG 319 Ca -0.14 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.42 1wa9 n ARG 319 Cb 0.52 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.75 1wa9 n ARG 319 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1wa9 s GLY 320 N -0.91 2.21 0.05 -0.13 0.00 -1.26 -4.74 107.32 102.53 1wa9 s GLY 320 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1wa9 s GLY 320 CO 0.00 0.52 0.06 -0.10 0.00 0.00 0.00 173.10 173.58 1wa9 n LEU 321 N 3.73 0.00 -0.31 0.66 -0.00 -1.26 -4.95 117.00 114.87 1wa9 n LEU 321 Ca -0.11 -0.42 0.01 0.00 -0.00 0.00 0.00 56.01 55.50 1wa9 n LEU 321 Cb 0.52 0.31 0.15 0.00 -0.00 0.00 0.00 43.42 44.40 1wa9 n LEU 321 CO 0.40 -0.09 1.19 0.50 -0.00 0.00 0.00 177.39 179.39 1wa9 h LYS 322 N 0.00 0.92 -0.01 1.96 1.63 -2.05 -2.82 116.57 116.20 1wa9 h LYS 322 Ca -0.04 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1wa9 h LYS 322 Cb 0.17 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1wa9 h LYS 322 CO 0.05 0.61 -0.40 0.43 -3.45 0.00 0.00 179.45 176.69 1wa9 n SER 323 N -4.64 1.11 0.00 4.20 7.64 -1.26 -5.04 113.62 115.64 1wa9 n SER 323 Ca 0.13 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1wa9 n SER 323 Cb 0.20 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1wa9 n SER 323 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wa9 n GLY 324 N 1.14 2.31 0.00 0.23 0.00 -1.07 -4.68 105.19 103.12 1wa9 n GLY 324 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wa9 n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa9 n GLY 325 N 0.00 2.29 3.82 -0.02 0.00 -1.26 -4.32 105.19 105.70 1wa9 n GLY 325 Ca 0.00 0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1wa9 n GLY 325 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wa9 s PHE 326 N 0.00 3.47 0.00 1.61 -0.00 -1.26 -4.83 117.98 116.97 1wa9 s PHE 326 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 56.93 57.36 1wa9 s PHE 326 Cb 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 43.02 41.12 1wa9 s PHE 326 CO 0.00 0.65 0.00 0.41 -0.00 0.00 0.00 175.22 176.28 1wa9 n GLY 327 N 2.06 1.00 3.58 1.99 0.00 -1.26 -5.01 105.19 107.55 1wa9 n GLY 327 Ca -0.20 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 1wa9 n GLY 327 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wa9 n VAL 328 N 0.00 2.66 -1.81 1.61 0.31 -1.26 -4.86 118.33 114.97 1wa9 n VAL 328 Ca 0.00 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 1wa9 n VAL 328 Cb 0.00 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 1wa9 n VAL 328 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1wa9 s ILE 329 N -1.39 2.20 0.00 2.52 -0.00 -1.26 -4.97 121.20 118.29 1wa9 s ILE 329 Ca 0.67 0.16 0.00 0.00 -0.00 0.00 0.00 60.65 61.47 1wa9 s ILE 329 Cb -0.51 -3.10 0.00 0.00 -0.00 0.00 0.00 42.46 38.84 1wa9 s ILE 329 CO 0.54 0.02 0.00 0.61 -0.00 0.00 0.00 174.94 176.11 1wa9 n GLY 330 N 2.89 0.00 3.15 6.27 0.00 -1.26 -4.95 105.19 111.29 1wa9 n GLY 330 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1wa9 n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wa9 s ARG 331 N 0.00 0.39 -1.05 1.61 3.03 -1.26 -5.04 118.95 116.63 1wa9 s ARG 331 Ca 0.00 0.46 -0.23 0.00 2.03 0.00 0.00 55.73 57.99 1wa9 s ARG 331 Cb 0.00 0.23 -0.01 0.00 -1.03 0.00 0.00 34.95 34.14 1wa9 s ARG 331 CO 0.00 -0.64 1.77 -2.14 -1.13 0.00 0.00 175.30 173.16 1wa9 s PRO 332 N 2.89 3.06 -0.43 3.89 0.02 -1.26 -4.91 135.00 138.26 1wa9 s PRO 332 Ca 0.16 -0.96 -0.39 0.00 0.02 0.00 0.00 61.00 59.82 1wa9 s PRO 332 Cb -0.08 -5.26 -0.17 0.00 0.02 0.00 0.00 34.50 29.01 1wa9 s PRO 332 CO -0.22 -2.99 1.53 1.55 -0.33 0.00 0.00 177.00 176.53 1wa9 n VAL 333 N 7.35 0.00 -4.47 3.83 3.14 -1.26 -4.94 118.33 121.98 1wa9 n VAL 333 Ca 0.40 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.55 1wa9 n VAL 333 Cb 0.48 -0.43 -0.10 0.00 -1.06 0.00 0.00 33.84 32.73 1wa9 n VAL 333 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wa9 s SER 334 N 3.45 3.25 0.08 6.55 1.04 -1.26 -5.05 113.70 121.76 1wa9 s SER 334 Ca 0.94 -1.15 0.07 0.00 0.48 0.00 0.00 55.95 56.29 1wa9 s SER 334 Cb -1.28 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1wa9 s SER 334 CO 0.65 -0.21 -0.18 -0.31 0.98 0.00 0.00 173.24 174.16 1wa9 s TYR 335 N -2.78 1.59 0.04 5.02 2.02 -1.26 -0.69 117.35 121.30 1wa9 s TYR 335 Ca 0.30 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 1wa9 s TYR 335 Cb 0.02 -0.90 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 1wa9 s TYR 335 CO 0.14 0.13 -0.11 -1.21 -1.57 0.00 0.00 175.55 172.93 1wa9 s GLU 336 N -1.65 0.73 0.18 -0.62 2.02 0.11 -4.85 118.70 114.61 1wa9 s GLU 336 Ca 0.04 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 1wa9 s GLU 336 Cb -0.10 -0.66 -0.09 0.00 0.10 0.00 0.00 34.13 33.39 1wa9 s GLU 336 CO 0.03 0.15 1.34 -1.25 0.02 0.00 0.00 175.26 175.56 1wa9 s PRO 337 N -1.28 4.36 0.02 0.39 0.04 -1.26 -1.39 135.00 135.88 1wa9 s PRO 337 Ca -0.03 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1wa9 s PRO 337 Cb -0.08 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1wa9 s PRO 337 CO 0.01 -0.32 -0.05 -0.06 0.04 0.00 0.00 177.00 176.62 1wa9 s PHE 338 N 0.37 0.47 -0.13 0.56 0.08 -0.44 -1.46 117.98 117.43 1wa9 s PHE 338 Ca 0.59 -0.31 -0.15 0.00 0.12 0.00 0.00 56.93 57.18 1wa9 s PHE 338 Cb -0.37 -0.29 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1wa9 s PHE 338 CO 0.36 -0.06 0.35 0.50 -0.10 0.00 0.00 175.22 176.27 1wa9 s ARG 339 N -0.90 4.22 0.06 0.44 6.06 -0.05 -1.94 118.95 126.84 1wa9 s ARG 339 Ca -0.06 0.22 0.09 0.00 -2.50 0.00 0.00 55.73 53.48 1wa9 s ARG 339 Cb -0.06 -3.40 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 1wa9 s ARG 339 CO -0.00 0.28 -0.24 -0.51 -2.50 0.00 0.00 175.30 172.33 1wa9 s LEU 340 N 0.31 2.33 -0.20 -0.88 1.02 0.45 -1.01 118.68 120.70 1wa9 s LEU 340 Ca 0.20 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.78 1wa9 s LEU 340 Cb -0.14 -1.34 0.04 0.00 0.02 0.00 0.00 46.19 44.77 1wa9 s LEU 340 CO 0.07 0.24 -0.10 -0.83 0.02 0.00 0.00 176.35 175.74 1wa9 s GLY 341 N -1.49 1.28 0.62 -3.19 0.00 -0.78 -2.61 107.32 101.15 1wa9 s GLY 341 Ca 0.13 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.51 1wa9 s GLY 341 CO 0.04 0.70 1.03 1.08 0.00 0.00 0.00 173.10 175.95 1wa9 s LEU 342 N 1.39 3.26 -0.30 0.66 1.43 -1.26 -2.52 118.68 121.34 1wa9 s LEU 342 Ca -0.02 1.48 -0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1wa9 s LEU 342 Cb -0.16 -4.48 0.19 0.00 0.03 0.00 0.00 46.19 41.76 1wa9 s LEU 342 CO -0.08 -0.95 0.81 -0.89 0.23 0.00 0.00 176.35 175.46 1wa9 s THR 343 N -3.08 -0.68 0.23 5.49 2.01 -0.87 -4.98 115.64 113.77 1wa9 s THR 343 Ca 0.56 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.47 1wa9 s THR 343 Cb -0.12 -0.92 -0.07 0.00 0.01 0.00 0.00 72.50 71.41 1wa9 s THR 343 CO 0.51 0.00 0.54 -0.36 -0.69 0.00 0.00 174.62 174.62 1wa9 s PHE 344 N 2.90 3.43 -0.28 4.92 0.08 -1.26 0.29 117.98 128.06 1wa9 s PHE 344 Ca 0.12 0.83 -0.18 0.00 0.12 0.00 0.00 56.93 57.83 1wa9 s PHE 344 Cb -0.11 -2.23 0.09 0.00 -0.57 0.00 0.00 43.02 40.20 1wa9 s PHE 344 CO -0.18 0.27 0.78 0.50 -0.10 0.00 0.00 175.22 176.48 1wa9 s ARG 345 N -2.89 0.65 0.30 0.44 6.06 -0.90 -4.95 118.95 117.66 1wa9 s ARG 345 Ca 0.47 1.04 -0.30 0.00 -2.50 0.00 0.00 55.73 54.44 1wa9 s ARG 345 Cb -0.11 0.17 -0.11 0.00 0.06 0.00 0.00 34.95 34.96 1wa9 s ARG 345 CO 0.22 -0.12 1.50 -2.00 -2.50 0.00 0.00 175.30 172.40 1wa9 s GLU 346 N 1.30 4.18 0.01 5.12 2.12 -1.26 -2.79 118.70 127.39 1wa9 s GLU 346 Ca -0.08 2.46 -0.30 0.00 0.36 0.00 0.00 54.97 57.41 1wa9 s GLU 346 Cb -0.05 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1wa9 s GLU 346 CO -0.15 -0.51 1.07 0.00 -0.54 0.00 0.00 175.26 175.13 1wa9 s ALA 347 N -0.30 3.28 0.28 6.30 0.00 -1.02 -4.91 121.76 125.40 1wa9 s ALA 347 Ca 0.59 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1wa9 s ALA 347 Cb -0.45 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 1wa9 s ALA 347 CO 0.50 -0.36 1.40 -1.25 0.00 0.00 0.00 175.76 176.05 1wa9 s PRO 348 N 1.17 4.28 0.80 0.00 0.04 -1.26 -4.89 135.00 135.15 1wa9 s PRO 348 Ca 0.54 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.77 1wa9 s PRO 348 Cb -0.24 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.28 1wa9 s PRO 348 CO 0.27 -0.36 1.10 -1.21 0.04 0.00 0.00 177.00 176.85 1wa9 s GLU 349 N -0.89 2.04 0.00 4.56 8.01 -1.26 -5.00 118.70 126.16 1wa9 s GLU 349 Ca 0.56 1.25 0.00 0.00 0.01 0.00 0.00 54.97 56.78 1wa9 s GLU 349 Cb -0.41 -1.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.54 1wa9 s GLU 349 CO 0.47 -1.82 0.58 0.39 0.01 0.00 0.00 175.26 174.89 1wa9 n GLU 350 N -3.63 0.80 -3.12 1.61 1.02 -1.26 -5.10 120.64 110.96 1wa9 n GLU 350 Ca 0.10 -0.74 -0.10 0.00 -0.02 0.00 0.00 57.16 56.40 1wa9 n GLU 350 Cb 0.53 -0.76 -0.03 0.00 -0.02 0.00 0.00 31.44 31.16 1wa9 n GLU 350 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wa9 n ALA 351 N -0.17 0.01 -0.64 0.62 0.00 -1.26 -5.39 120.51 113.69 1wa9 n ALA 351 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1wa9 n ALA 351 Cb 0.28 0.83 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1wa9 n ALA 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wa9 n ARG 352 N -0.36 0.00 -0.59 0.00 3.00 -1.26 -5.29 116.66 112.16 1wa9 n ARG 352 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1wa9 n ARG 352 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.81 1wa9 n ARG 352 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wa9 n SER 359 N 6.92 -0.79 -4.40 0.55 7.64 -1.26 -5.23 113.62 117.04 1wa9 n SER 359 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wa9 n SER 359 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1wa9 n SER 359 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wa9 n ASN 360 N -0.44 -1.49 0.00 6.43 4.05 -1.26 -4.78 115.26 117.78 1wa9 n ASN 360 Ca 0.00 0.89 0.00 0.00 0.45 0.00 0.00 54.58 55.92 1wa9 n ASN 360 Cb 0.20 -1.04 0.00 0.00 1.23 0.00 0.00 39.78 40.17 1wa9 n ASN 360 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wa9 n GLY 361 N 1.96 1.96 3.72 8.20 0.00 -1.26 -5.06 105.19 114.71 1wa9 n GLY 361 Ca 0.12 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1wa9 n GLY 361 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wa9 s THR 362 N 0.00 2.06 -0.46 2.61 -1.32 -1.26 -4.96 115.64 112.30 1wa9 s THR 362 Ca 0.00 0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.35 1wa9 s THR 362 Cb 0.00 -3.03 0.05 0.00 -1.51 0.00 0.00 72.50 68.01 1wa9 s THR 362 CO 0.00 0.00 0.46 0.21 -2.21 0.00 0.00 174.62 173.08 1wa9 s ASN 363 N 1.08 6.18 0.91 8.08 2.47 -1.26 -5.07 114.94 127.32 1wa9 s ASN 363 Ca 0.73 -0.99 -0.13 0.00 0.42 0.00 0.00 52.86 52.89 1wa9 s ASN 363 Cb -0.49 -2.22 0.18 0.00 -1.45 0.00 0.00 41.25 37.27 1wa9 s ASN 363 CO 0.34 -0.67 1.25 -0.32 -3.72 0.00 0.00 177.10 173.98 1wa9 s MET 364 N 2.05 0.91 -0.20 0.43 1.75 -1.26 -2.42 119.30 120.55 1wa9 s MET 364 Ca 0.09 -0.54 -0.08 0.00 -1.25 0.00 0.00 55.69 53.91 1wa9 s MET 364 Cb -0.20 -1.95 0.09 0.00 2.84 0.00 0.00 34.83 35.60 1wa9 s MET 364 CO 0.10 -2.18 0.44 -1.17 -0.65 0.00 0.00 175.02 171.56 1wa9 s LEU 365 N -5.72 -0.57 -0.19 4.11 2.96 -1.12 -3.78 118.68 114.37 1wa9 s LEU 365 Ca 0.72 1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 55.52 1wa9 s LEU 365 Cb -0.04 1.44 -0.05 0.00 0.50 0.00 0.00 46.19 48.04 1wa9 s LEU 365 CO 0.51 -0.22 0.28 -0.22 -1.32 0.00 0.00 176.35 175.37 1wa9 s LEU 366 N 2.36 4.20 -0.31 -0.68 2.96 0.14 -2.12 118.68 125.22 1wa9 s LEU 366 Ca -0.04 0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1wa9 s LEU 366 Cb -0.11 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.29 1wa9 s LEU 366 CO -0.13 0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 1wa9 s VAL 367 N 0.76 3.61 -0.13 1.68 1.01 0.15 0.94 120.40 128.41 1wa9 s VAL 367 Ca 0.15 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1wa9 s VAL 367 Cb -0.13 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1wa9 s VAL 367 CO 0.04 -0.07 0.11 -0.63 0.00 0.00 0.00 175.10 174.55 1wa9 s ILE 368 N 1.39 5.21 -0.29 2.22 1.01 -0.54 -2.04 121.20 128.16 1wa9 s ILE 368 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.76 1wa9 s ILE 368 Cb -0.19 -3.28 0.08 0.00 0.01 0.00 0.00 42.46 39.09 1wa9 s ILE 368 CO 0.01 0.58 0.01 0.00 0.00 0.00 0.00 174.94 175.54 1wa9 s ALA 370 N 1.24 3.77 -0.03 0.00 0.00 -0.54 -1.86 121.76 124.34 1wa9 s ALA 370 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1wa9 s ALA 370 Cb -0.19 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.93 1wa9 s ALA 370 CO -0.11 0.43 0.01 -0.08 0.00 0.00 0.00 175.76 176.02 1wa9 s THR 371 N -0.45 0.11 0.24 0.00 -1.32 -0.18 -2.09 115.64 111.95 1wa9 s THR 371 Ca 0.12 0.15 -0.30 0.00 -1.21 0.00 0.00 61.69 60.45 1wa9 s THR 371 Cb -0.12 -0.24 -0.15 0.00 -1.51 0.00 0.00 72.50 70.48 1wa9 s THR 371 CO 0.02 0.15 0.97 -0.81 -2.21 0.00 0.00 174.62 172.73 1wa9 n PRO 372 N 4.34 1.06 -3.69 7.08 -0.04 -1.26 -0.87 135.00 141.62 1wa9 n PRO 372 Ca -0.23 0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 63.22 1wa9 n PRO 372 Cb 0.50 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 1wa9 n PRO 372 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wa9 s ILE 373 N -0.79 4.14 0.18 0.52 1.01 -0.53 -4.80 121.20 120.92 1wa9 s ILE 373 Ca 0.64 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 1wa9 s ILE 373 Cb -0.79 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1wa9 s ILE 373 CO 0.57 -0.16 0.46 -1.59 0.00 0.00 0.00 174.94 174.22 1wa9 s LYS 374 N 1.48 3.73 0.93 2.79 -2.85 -1.26 -4.74 119.74 119.81 1wa9 s LYS 374 Ca 0.00 0.12 -0.11 0.00 -1.00 0.00 0.00 55.97 54.98 1wa9 s LYS 374 Cb -0.19 -2.78 0.15 0.00 -2.06 0.00 0.00 37.83 32.95 1wa9 s LYS 374 CO 0.04 0.41 1.09 0.45 0.10 0.00 0.00 175.35 177.45 1wa9 s SER 375 N -2.31 3.06 -0.26 0.03 0.15 -1.26 -4.71 113.70 108.40 1wa9 s SER 375 Ca 0.43 1.71 0.10 0.00 0.70 0.00 0.00 55.95 58.90 1wa9 s SER 375 Cb -0.12 -2.34 0.49 0.00 -1.71 0.00 0.00 66.02 62.34 1wa9 s SER 375 CO 0.22 -2.93 1.42 -1.20 1.20 0.00 0.00 173.24 171.95 1wa9 n SER 376 N -4.09 2.51 -3.96 5.45 7.64 -0.94 -4.94 113.62 115.29 1wa9 n SER 376 Ca 0.08 -3.69 -0.31 0.00 1.01 0.00 0.00 58.87 55.96 1wa9 n SER 376 Cb 0.54 -0.61 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 1wa9 n SER 376 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1wa9 s TYR 377 N -3.19 2.71 -0.02 1.43 4.12 -1.26 -5.01 117.35 116.13 1wa9 s TYR 377 Ca 0.43 -2.06 -0.00 0.00 0.02 0.00 0.00 57.07 55.46 1wa9 s TYR 377 Cb 0.39 -1.87 -0.00 0.00 -1.52 0.00 0.00 41.96 38.96 1wa9 s TYR 377 CO -0.00 -0.83 -0.01 0.87 0.02 0.00 0.00 175.55 175.60 1wa9 h LYS 378 N 7.88 0.00 -6.72 -0.62 6.56 -1.92 -3.43 116.57 118.31 1wa9 h LYS 378 Ca -0.15 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 58.94 1wa9 h LYS 378 Cb 1.05 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.69 1wa9 h LYS 378 CO 0.44 0.00 0.25 0.14 -2.06 0.00 0.00 179.45 178.22 1wa9 s VAL 379 N -1.12 4.33 0.00 0.50 -7.23 -1.26 -4.85 120.40 110.76 1wa9 s VAL 379 Ca -0.01 1.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 1wa9 s VAL 379 Cb 0.00 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1wa9 s VAL 379 CO 0.01 0.25 0.00 -2.65 -0.31 0.00 0.00 175.10 172.40 1wa9 n PRO 380 N 0.85 0.00 -0.67 4.82 -0.02 -1.26 -2.53 135.00 136.19 1wa9 n PRO 380 Ca -0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1wa9 n PRO 380 Cb 0.50 -0.41 -0.08 0.00 -0.02 0.00 0.00 33.50 33.49 1wa9 n PRO 380 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1wa9 n ASP 381 N -0.00 4.61 -4.55 2.55 10.43 -1.19 -3.71 116.55 124.68 1wa9 n ASP 381 Ca 0.00 -2.29 -0.56 0.00 2.57 0.00 0.00 54.79 54.51 1wa9 n ASP 381 Cb 0.00 -1.12 -0.07 0.00 1.84 0.00 0.00 41.12 41.77 1wa9 n ASP 381 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1wa9 n GLU 382 N 2.10 0.58 -2.93 -1.24 2.13 -1.05 -4.20 120.64 116.03 1wa9 n GLU 382 Ca 0.20 0.21 -0.23 0.00 0.66 0.00 0.00 57.16 58.00 1wa9 n GLU 382 Cb 0.63 -1.78 0.01 0.00 0.27 0.00 0.00 31.44 30.57 1wa9 n GLU 382 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1wa9 s ILE 383 N 0.37 3.91 0.05 6.31 2.07 -1.26 0.17 121.20 132.82 1wa9 s ILE 383 Ca 0.88 -0.47 -0.30 0.00 -1.41 0.00 0.00 60.65 59.35 1wa9 s ILE 383 Cb -1.12 -3.45 -0.09 0.00 0.13 0.00 0.00 42.46 37.93 1wa9 s ILE 383 CO 0.53 -0.33 1.86 -0.22 -1.91 0.00 0.00 174.94 174.87 1wa9 s LEU 384 N -4.59 4.40 -0.04 8.50 0.20 -0.63 -4.90 118.68 121.62 1wa9 s LEU 384 Ca 0.49 2.63 0.06 0.00 0.69 0.00 0.00 54.13 58.00 1wa9 s LEU 384 Cb -0.10 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1wa9 s LEU 384 CO 0.38 -1.01 -0.22 -0.44 -0.29 0.00 0.00 176.35 174.77 1wa9 s SER 385 N 3.61 2.70 0.00 3.68 0.01 -1.26 -4.99 113.70 117.46 1wa9 s SER 385 Ca 0.83 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1wa9 s SER 385 Cb -0.42 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1wa9 s SER 385 CO 0.38 0.24 0.35 0.00 0.41 0.00 0.00 173.24 174.62 1wa9 n GLN 386 N 2.80 0.00 0.09 12.44 3.00 -1.26 0.78 117.38 135.23 1wa9 n GLN 386 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.94 1wa9 n GLN 386 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1wa9 n GLN 386 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1wa9 n LYS 387 N -0.84 0.58 -1.76 -1.09 0.00 -1.26 -4.93 118.16 108.86 1wa9 n LYS 387 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 58.31 58.00 1wa9 n LYS 387 Cb 0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 35.03 33.22 1wa9 n LYS 387 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wa9 n SER 388 N -2.61 3.66 -4.76 3.14 2.88 0.23 -4.96 113.62 111.20 1wa9 n SER 388 Ca 0.00 1.21 -0.36 0.00 -1.33 0.00 0.00 58.87 58.38 1wa9 n SER 388 Cb 0.54 -1.59 0.03 0.00 -0.75 0.00 0.00 64.21 62.44 1wa9 n SER 388 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1wa9 s PRO 389 N -1.70 3.10 -0.22 -1.46 0.02 -1.26 -5.00 135.00 128.49 1wa9 s PRO 389 Ca 0.56 1.88 -0.03 0.00 0.02 0.00 0.00 61.00 63.43 1wa9 s PRO 389 Cb -0.50 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 31.98 1wa9 s PRO 389 CO 0.60 -1.11 -0.07 -1.59 -0.33 0.00 0.00 177.00 174.49 1wa9 s LYS 390 N -3.18 3.24 0.05 5.54 0.00 -1.26 -4.39 119.74 119.73 1wa9 s LYS 390 Ca 0.75 -0.71 0.03 0.00 0.00 0.00 0.00 55.97 56.04 1wa9 s LYS 390 Cb -0.32 -2.93 -0.02 0.00 0.00 0.00 0.00 37.83 34.56 1wa9 s LYS 390 CO 0.35 -0.23 -0.09 -0.59 0.00 0.00 0.00 175.35 174.80 1wa9 s PHE 391 N 1.43 0.76 0.13 1.78 -0.71 -0.43 -4.89 117.98 116.04 1wa9 s PHE 391 Ca 0.05 -0.49 0.08 0.00 -1.04 0.00 0.00 56.93 55.54 1wa9 s PHE 391 Cb -0.14 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 1wa9 s PHE 391 CO -0.05 -0.06 -0.14 0.00 -1.34 0.00 0.00 175.22 173.62 1wa9 s ALA 392 N -1.34 2.80 0.03 1.99 0.00 -1.26 0.14 121.76 124.12 1wa9 s ALA 392 Ca -0.08 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1wa9 s ALA 392 Cb -0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1wa9 s ALA 392 CO 0.01 0.58 -0.07 0.42 0.00 0.00 0.00 175.76 176.70 1wa9 s ILE 393 N -1.27 0.51 -0.02 0.00 1.01 -0.71 -1.91 121.20 118.80 1wa9 s ILE 393 Ca 0.20 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1wa9 s ILE 393 Cb -0.10 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1wa9 s ILE 393 CO 0.12 -0.25 -0.01 -0.60 0.00 0.00 0.00 174.94 174.19 1wa9 s ARG 394 N -1.20 0.34 0.17 2.79 3.52 -0.86 -0.10 118.95 123.61 1wa9 s ARG 394 Ca -0.07 -0.00 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 1wa9 s ARG 394 Cb -0.08 -0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 32.82 1wa9 s ARG 394 CO 0.00 -0.07 -0.13 -3.38 -0.81 0.00 0.00 175.30 170.92 1wa9 s HIS 395 N 0.67 1.52 0.41 5.12 -3.43 -0.80 0.17 115.29 118.95 1wa9 s HIS 395 Ca -0.07 -0.63 -0.06 0.00 -0.80 0.00 0.00 55.06 53.49 1wa9 s HIS 395 Cb -0.10 -0.74 0.09 0.00 -1.43 0.00 0.00 32.58 30.41 1wa9 s HIS 395 CO -0.01 0.24 0.55 0.25 -2.00 0.00 0.00 174.74 173.77 1wa9 n THR 396 N -0.20 0.00 -0.16 -5.38 -2.24 0.50 -1.45 114.28 105.35 1wa9 n THR 396 Ca -0.10 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 1wa9 n THR 396 Cb 0.60 -1.72 0.06 0.00 -2.10 0.00 0.00 70.33 67.17 1wa9 n THR 396 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wa9 h ALA 397 N -1.76 0.56 0.00 6.98 0.00 -1.80 0.15 119.26 123.40 1wa9 h ALA 397 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wa9 h ALA 397 Cb 0.51 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wa9 h ALA 397 CO 0.13 -0.29 0.00 0.25 0.00 0.00 0.00 179.25 179.34 1wa9 n THR 398 N -5.09 0.00 0.00 0.00 -2.24 -1.26 -4.79 114.28 100.89 1wa9 n THR 398 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1wa9 n THR 398 Cb 0.23 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1wa9 n THR 398 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa9 n GLY 399 N 0.32 1.65 3.69 3.38 0.00 0.04 -4.93 105.19 109.34 1wa9 n GLY 399 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1wa9 n GLY 399 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wa9 s ILE 400 N -2.47 3.28 0.56 -0.61 -4.36 -1.26 -0.16 121.20 116.18 1wa9 s ILE 400 Ca 0.00 0.69 -0.19 0.00 -0.26 0.00 0.00 60.65 60.89 1wa9 s ILE 400 Cb 0.00 -3.44 -0.05 0.00 1.25 0.00 0.00 42.46 40.22 1wa9 s ILE 400 CO 0.00 -0.01 1.12 -0.51 0.24 0.00 0.00 174.94 175.79 1wa9 s ILE 401 N 2.64 3.21 0.00 8.37 -1.16 -0.68 -0.37 121.20 133.21 1wa9 s ILE 401 Ca 0.71 0.71 0.00 0.00 -0.51 0.00 0.00 60.65 61.56 1wa9 s ILE 401 Cb -0.37 -3.26 0.00 0.00 0.61 0.00 0.00 42.46 39.44 1wa9 s ILE 401 CO 0.30 -0.20 0.00 -1.54 -2.81 0.00 0.00 174.94 170.69 1wa9 n SER 402 N -1.50 0.42 -3.91 4.50 3.41 0.46 -2.07 113.62 114.93 1wa9 n SER 402 Ca 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1wa9 n SER 402 Cb 0.51 0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 1wa9 n SER 402 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wa9 s HIS 403 N -0.18 0.11 -0.20 7.33 3.76 -1.13 -4.97 115.29 120.01 1wa9 s HIS 403 Ca 0.00 -0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1wa9 s HIS 403 Cb 0.00 -0.08 0.10 0.00 1.11 0.00 0.00 32.58 33.71 1wa9 s HIS 403 CO 0.00 -0.06 0.32 0.08 -0.85 0.00 0.00 174.74 174.23 1wa9 s VAL 404 N -0.45 -0.50 0.33 -0.90 1.01 -1.26 -2.03 120.40 116.60 1wa9 s VAL 404 Ca -0.05 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1wa9 s VAL 404 Cb -0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 36.38 35.56 1wa9 s VAL 404 CO -0.00 -0.06 1.43 0.47 0.00 0.00 0.00 175.10 176.94 1wa9 n ASP 405 N 5.35 3.33 -0.09 3.32 8.00 -0.80 -4.81 116.55 130.85 1wa9 n ASP 405 Ca -0.05 1.20 0.26 0.00 0.71 0.00 0.00 54.79 56.90 1wa9 n ASP 405 Cb 0.50 -1.55 0.72 0.00 -0.02 0.00 0.00 41.12 40.77 1wa9 n ASP 405 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1wa9 h SER 406 N 3.32 0.00 0.09 -2.24 0.87 -1.96 0.57 113.55 114.21 1wa9 h SER 406 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1wa9 h SER 406 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1wa9 h SER 406 CO 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.98 1wa9 n ALA 407 N -2.55 1.43 0.09 6.23 0.00 -1.26 -1.97 120.51 122.48 1wa9 n ALA 407 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.60 1wa9 n ALA 407 Cb 0.88 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1wa9 n ALA 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wa9 h ALA 408 N 2.23 0.66 -0.65 0.00 0.00 -0.17 -3.37 119.26 117.96 1wa9 h ALA 408 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1wa9 h ALA 408 Cb 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1wa9 h ALA 408 CO 0.00 0.64 0.43 0.28 0.00 0.00 0.00 179.25 180.60 1wa9 h VAL 409 N 0.00 1.16 0.00 0.00 2.07 -1.50 0.09 116.25 118.06 1wa9 h VAL 409 Ca -0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1wa9 h VAL 409 Cb 1.40 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1wa9 h VAL 409 CO 0.04 0.16 0.00 -1.20 0.02 0.00 0.00 177.57 176.59 1wa9 n SER 410 N -4.64 0.00 -0.02 0.57 7.64 -1.26 0.10 113.62 116.01 1wa9 n SER 410 Ca 0.05 -0.89 -0.01 0.00 1.01 0.00 0.00 58.87 59.04 1wa9 n SER 410 Cb 0.02 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 1wa9 n SER 410 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wa9 n ALA 411 N -1.02 1.99 -0.06 -0.43 0.00 -0.87 -2.22 120.51 117.89 1wa9 n ALA 411 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wa9 n ALA 411 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1wa9 n ALA 411 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wa9 n LEU 412 N -2.04 0.39 -1.77 0.00 4.77 -0.04 -4.97 117.00 113.33 1wa9 n LEU 412 Ca -0.06 -0.62 -0.20 0.00 -0.03 0.00 0.00 56.01 55.10 1wa9 n LEU 412 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1wa9 n LEU 412 CO 0.12 0.10 -0.21 0.61 -1.33 0.00 0.00 177.39 176.68 1wa9 n GLY 413 N 0.47 1.04 3.62 -0.72 0.00 0.28 -1.19 105.19 108.69 1wa9 n GLY 413 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1wa9 n GLY 413 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wa9 s TYR 414 N -2.82 3.10 0.28 1.61 4.12 -1.24 -4.75 117.35 117.65 1wa9 s TYR 414 Ca 0.00 0.04 -0.22 0.00 0.02 0.00 0.00 57.07 56.91 1wa9 s TYR 414 Cb 0.00 -1.84 -0.09 0.00 -1.52 0.00 0.00 41.96 38.51 1wa9 s TYR 414 CO 0.00 0.30 0.82 -0.51 0.02 0.00 0.00 175.55 176.19 1wa9 s LEU 415 N -0.48 4.30 0.28 -1.29 1.43 -1.26 -3.85 118.68 117.81 1wa9 s LEU 415 Ca 0.08 1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1wa9 s LEU 415 Cb -0.12 -3.84 0.56 0.00 0.03 0.00 0.00 46.19 42.82 1wa9 s LEU 415 CO 0.02 -0.04 1.58 -0.65 0.23 0.00 0.00 176.35 177.48 1wa9 h PRO 416 N 3.16 0.01 0.00 1.29 0.11 -1.93 0.22 132.00 134.87 1wa9 h PRO 416 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wa9 h PRO 416 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wa9 h PRO 416 CO 0.65 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 1wa9 n GLN 417 N -5.53 0.10 -0.00 1.05 0.00 -1.26 -1.53 117.38 110.21 1wa9 n GLN 417 Ca 0.18 0.39 -0.17 0.00 0.00 0.00 0.00 57.00 57.39 1wa9 n GLN 417 Cb 0.59 -1.71 -0.10 0.00 0.00 0.00 0.00 30.24 29.02 1wa9 n GLN 417 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1wa9 h ASP 418 N 0.00 0.60 0.04 2.61 3.32 -0.92 -3.37 116.42 118.70 1wa9 h ASP 418 Ca 0.00 -0.72 -0.10 0.00 0.02 0.00 0.00 57.03 56.23 1wa9 h ASP 418 Cb 0.26 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1wa9 h ASP 418 CO 0.00 1.23 -0.50 -0.07 -1.72 0.00 0.00 179.24 178.18 1wa9 h LEU 419 N 0.02 0.13 -9.43 1.55 3.38 -1.45 -3.45 115.31 106.06 1wa9 h LEU 419 Ca -0.07 -0.90 -0.59 0.00 0.09 0.00 0.00 57.88 56.42 1wa9 h LEU 419 Cb 1.29 -0.04 0.04 0.00 0.09 0.00 0.00 40.66 42.04 1wa9 h LEU 419 CO 0.12 1.21 0.92 0.00 0.09 0.00 0.00 178.44 180.79 1wa9 n ILE 420 N -4.42 0.22 0.00 1.22 0.00 -0.58 -1.12 119.36 114.68 1wa9 n ILE 420 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 62.75 62.55 1wa9 n ILE 420 Cb 0.62 -1.70 0.00 0.00 0.00 0.00 0.00 39.64 38.56 1wa9 n ILE 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wa9 n GLY 421 N 3.81 2.20 3.90 4.50 0.00 -0.88 -4.93 105.19 113.80 1wa9 n GLY 421 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1wa9 n GLY 421 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wa9 s ARG 422 N -0.45 3.67 -0.01 1.61 1.81 -0.28 -4.81 118.95 120.49 1wa9 s ARG 422 Ca 0.00 0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.76 1wa9 s ARG 422 Cb 0.00 -2.68 -0.04 0.00 -0.45 0.00 0.00 34.95 31.78 1wa9 s ARG 422 CO 0.00 0.28 1.24 0.45 -0.68 0.00 0.00 175.30 176.59 1wa9 s SER 423 N -2.86 7.02 0.46 0.23 0.15 -1.26 -1.69 113.70 115.75 1wa9 s SER 423 Ca 0.44 1.93 0.29 0.00 0.70 0.00 0.00 55.95 59.31 1wa9 s SER 423 Cb -0.11 -2.56 1.36 0.00 -1.71 0.00 0.00 66.02 63.00 1wa9 s SER 423 CO 0.27 -0.58 1.72 -0.29 1.20 0.00 0.00 173.24 175.57 1wa9 h ILE 424 N 4.85 0.34 0.15 6.45 6.09 -0.89 -2.27 117.51 132.24 1wa9 h ILE 424 Ca -0.37 -0.06 0.02 0.00 -1.37 0.00 0.00 64.86 63.08 1wa9 h ILE 424 Cb 1.18 0.15 -0.04 0.00 0.47 0.00 0.00 36.82 38.58 1wa9 h ILE 424 CO 0.86 0.03 -0.39 0.24 -3.07 0.00 0.00 178.15 175.83 1wa9 h MET 425 N 0.17 -0.62 0.00 2.19 2.86 -1.90 -2.56 114.93 115.07 1wa9 h MET 425 Ca 0.68 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1wa9 h MET 425 Cb 2.18 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.98 1wa9 h MET 425 CO -0.23 -0.41 0.65 -0.25 1.06 0.00 0.00 176.91 177.73 1wa9 n ASP 426 N -5.46 0.00 -1.27 1.22 10.43 -0.85 0.99 116.55 121.61 1wa9 n ASP 426 Ca -0.07 0.25 0.10 0.00 2.57 0.00 0.00 54.79 57.64 1wa9 n ASP 426 Cb 0.37 0.00 0.30 0.00 1.84 0.00 0.00 41.12 43.63 1wa9 n ASP 426 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1wa9 n PHE 427 N -1.62 1.03 -4.07 1.24 3.72 -0.96 -4.92 117.46 111.88 1wa9 n PHE 427 Ca 0.00 -0.55 -0.35 0.00 -0.05 0.00 0.00 57.45 56.50 1wa9 n PHE 427 Cb 0.65 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 39.02 1wa9 n PHE 427 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1wa9 s TYR 428 N -1.31 3.31 -0.17 1.38 4.12 0.28 -1.42 117.35 123.54 1wa9 s TYR 428 Ca 0.45 0.21 -0.30 0.00 0.02 0.00 0.00 57.07 57.45 1wa9 s TYR 428 Cb 0.25 -1.98 -0.07 0.00 -1.52 0.00 0.00 41.96 38.65 1wa9 s TYR 428 CO 0.27 0.37 2.14 1.58 0.02 0.00 0.00 175.55 179.93 1wa9 n HIS 429 N 2.83 2.07 0.13 2.71 -0.00 -1.23 -4.79 115.22 116.94 1wa9 n HIS 429 Ca -0.18 -0.13 0.04 0.00 0.46 0.00 0.00 57.72 57.91 1wa9 n HIS 429 Cb 0.53 -2.72 0.20 0.00 -0.12 0.00 0.00 29.99 27.88 1wa9 n HIS 429 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1wa9 n HIS 430 N 10.22 0.24 1.06 1.57 1.44 -1.26 0.29 115.22 128.79 1wa9 n HIS 430 Ca 0.29 0.13 0.12 0.00 -2.01 0.00 0.00 57.72 56.24 1wa9 n HIS 430 Cb 0.40 -0.41 0.20 0.00 0.12 0.00 0.00 29.99 30.31 1wa9 n HIS 430 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1wa9 n GLU 431 N -1.81 0.28 -0.00 -1.40 2.13 -1.26 -4.10 120.64 114.47 1wa9 n GLU 431 Ca -0.00 -0.18 0.04 0.00 0.66 0.00 0.00 57.16 57.68 1wa9 n GLU 431 Cb 0.43 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.59 1wa9 n GLU 431 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wa9 n ASP 432 N -1.20 0.61 -0.54 4.31 8.00 0.84 -4.68 116.55 123.89 1wa9 n ASP 432 Ca 0.07 -0.66 0.43 0.00 0.71 0.00 0.00 54.79 55.35 1wa9 n ASP 432 Cb 0.35 1.03 0.70 0.00 -0.02 0.00 0.00 41.12 43.18 1wa9 n ASP 432 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wa9 n LEU 433 N -1.26 0.14 0.16 0.64 4.77 -1.04 -1.09 117.00 119.32 1wa9 n LEU 433 Ca 0.01 1.22 -0.09 0.00 -0.03 0.00 0.00 56.01 57.13 1wa9 n LEU 433 Cb 0.15 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1wa9 n LEU 433 CO 0.18 -1.30 0.24 0.28 -1.33 0.00 0.00 177.39 175.47 1wa9 h SER 434 N 0.00 -0.41 0.00 -1.43 0.02 -1.89 -0.87 113.55 108.97 1wa9 h SER 434 Ca 0.87 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.78 1wa9 h SER 434 Cb 3.06 0.11 0.00 0.00 0.14 0.00 0.00 62.40 65.70 1wa9 h SER 434 CO -0.31 0.04 0.16 1.62 -1.14 0.00 0.00 176.83 177.21 1wa9 h VAL 435 N -1.10 0.00 0.00 2.27 3.04 -1.44 -1.24 116.25 117.79 1wa9 h VAL 435 Ca -0.05 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.53 1wa9 h VAL 435 Cb 0.42 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 1wa9 h VAL 435 CO 0.08 0.00 -0.66 -0.03 -1.01 0.00 0.00 177.57 175.95 1wa9 h MET 436 N 0.00 0.00 -0.90 4.17 -1.53 -1.24 -3.26 114.93 112.18 1wa9 h MET 436 Ca 0.00 0.00 0.23 0.00 -3.44 0.00 0.00 59.70 56.49 1wa9 h MET 436 Cb 0.33 0.00 -0.13 0.00 -0.55 0.00 0.00 31.60 31.25 1wa9 h MET 436 CO 0.00 0.82 0.36 -0.22 0.14 0.00 0.00 176.91 178.01 1wa9 h LYS 437 N -1.00 0.33 0.00 0.39 3.11 0.05 1.77 116.57 121.22 1wa9 h LYS 437 Ca -0.17 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1wa9 h LYS 437 Cb 1.02 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1wa9 h LYS 437 CO -0.10 0.22 0.00 -0.85 -2.81 0.00 0.00 179.45 175.91 1wa9 n GLU 438 N -5.09 0.16 -0.07 1.90 0.28 -0.98 -1.81 120.64 115.03 1wa9 n GLU 438 Ca 0.22 0.40 -0.11 0.00 -0.16 0.00 0.00 57.16 57.51 1wa9 n GLU 438 Cb 0.68 -1.81 -0.09 0.00 1.43 0.00 0.00 31.44 31.65 1wa9 n GLU 438 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1wa9 h THR 439 N 0.00 1.14 -0.96 3.84 2.02 0.26 -3.30 112.91 115.92 1wa9 h THR 439 Ca 0.00 -1.93 0.10 0.00 0.77 0.00 0.00 66.41 65.35 1wa9 h THR 439 Cb 0.34 2.23 -0.08 0.00 -1.74 0.00 0.00 68.15 68.90 1wa9 h THR 439 CO 0.00 0.39 0.60 1.88 0.37 0.00 0.00 175.52 178.75 1wa9 h TYR 440 N -1.00 1.09 0.00 3.16 -1.99 -1.20 0.49 116.97 117.52 1wa9 h TYR 440 Ca -0.05 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1wa9 h TYR 440 Cb 0.77 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1wa9 h TYR 440 CO 0.16 0.47 0.26 0.39 -0.00 0.00 0.00 178.16 179.45 1wa9 n GLU 441 N -4.62 0.07 -0.12 4.88 -0.58 -0.75 -1.01 120.64 118.51 1wa9 n GLU 441 Ca 0.17 0.52 -0.18 0.00 -0.42 0.00 0.00 57.16 57.25 1wa9 n GLU 441 Cb 0.29 -2.00 -0.10 0.00 -0.57 0.00 0.00 31.44 29.05 1wa9 n GLU 441 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1wa9 n THR 442 N -1.91 1.32 0.22 2.62 -1.04 0.17 -3.52 114.28 112.14 1wa9 n THR 442 Ca -0.01 -0.48 0.15 0.00 -2.04 0.00 0.00 64.05 61.68 1wa9 n THR 442 Cb 0.28 -1.40 0.80 0.00 -1.82 0.00 0.00 70.33 68.20 1wa9 n THR 442 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1wa9 h VAL 443 N -0.15 0.61 0.03 12.58 3.04 -0.47 0.41 116.25 132.30 1wa9 h VAL 443 Ca -0.53 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1wa9 h VAL 443 Cb 1.75 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1wa9 h VAL 443 CO -0.13 0.00 -0.01 0.24 -1.01 0.00 0.00 177.57 176.66 1wa9 h MET 444 N 0.00 -0.03 -0.32 4.17 2.07 -1.49 -1.58 114.93 117.74 1wa9 h MET 444 Ca 0.06 0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.75 1wa9 h MET 444 Cb 0.32 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.01 1wa9 h MET 444 CO -0.00 0.68 0.01 -0.22 1.07 0.00 0.00 176.91 178.45 1wa9 h LYS 445 N -0.88 0.10 -0.36 1.72 3.11 -1.38 0.35 116.57 119.23 1wa9 h LYS 445 Ca -0.00 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.89 1wa9 h LYS 445 Cb 0.73 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.92 1wa9 h LYS 445 CO 0.01 0.07 0.25 0.87 -2.81 0.00 0.00 179.45 177.83 1wa9 h LYS 446 N 0.11 0.24 0.00 1.90 1.79 -0.28 -1.46 116.57 118.86 1wa9 h LYS 446 Ca 0.15 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1wa9 h LYS 446 Cb 0.20 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1wa9 h LYS 446 CO -0.25 0.16 0.00 0.41 -1.08 0.00 0.00 179.45 178.69 1wa9 n GLY 447 N -1.54 -0.00 0.14 3.86 0.00 0.12 -1.45 105.19 106.32 1wa9 n GLY 447 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1wa9 n GLY 447 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wa9 n GLN 448 N -0.96 1.18 -3.78 1.61 6.02 -0.55 -4.53 117.38 116.38 1wa9 n GLN 448 Ca 0.00 -0.27 -0.23 0.00 -0.01 0.00 0.00 57.00 56.48 1wa9 n GLN 448 Cb 0.00 -1.32 -0.17 0.00 1.02 0.00 0.00 30.24 29.77 1wa9 n GLN 448 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wa9 s THR 449 N -1.95 0.42 0.31 5.09 2.01 -0.53 -4.90 115.64 116.10 1wa9 s THR 449 Ca 0.29 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1wa9 s THR 449 Cb 0.14 -0.59 -0.11 0.00 0.01 0.00 0.00 72.50 71.95 1wa9 s THR 449 CO 0.23 0.24 1.50 0.00 -0.69 0.00 0.00 174.62 175.90 1wa9 s ALA 450 N 1.95 3.65 0.00 7.40 0.00 -1.26 -2.22 121.76 131.28 1wa9 s ALA 450 Ca 0.05 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1wa9 s ALA 450 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1wa9 s ALA 450 CO -0.06 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1wa9 n GLY 451 N 1.51 2.93 3.66 0.00 0.00 -1.26 -4.99 105.19 107.03 1wa9 n GLY 451 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1wa9 n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa9 n ALA 452 N 0.02 0.94 -2.41 4.61 0.00 -0.94 -4.99 120.51 117.73 1wa9 n ALA 452 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 1wa9 n ALA 452 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 1wa9 n ALA 452 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wa9 s SER 453 N 0.73 2.37 -0.19 0.00 1.04 -1.26 -4.67 113.70 111.72 1wa9 s SER 453 Ca 0.78 -1.28 -0.32 0.00 0.48 0.00 0.00 55.95 55.61 1wa9 s SER 453 Cb -0.72 -0.09 0.15 0.00 0.10 0.00 0.00 66.02 65.46 1wa9 s SER 453 CO 0.41 -0.50 1.17 0.72 0.98 0.00 0.00 173.24 176.02 1wa9 s PHE 454 N -3.23 -0.18 0.26 5.02 -0.71 -1.18 -5.03 117.98 112.93 1wa9 s PHE 454 Ca 0.32 0.22 0.04 0.00 -1.04 0.00 0.00 56.93 56.47 1wa9 s PHE 454 Cb 0.06 0.50 0.05 0.00 -1.21 0.00 0.00 43.02 42.42 1wa9 s PHE 454 CO 0.13 -0.22 0.37 0.00 -1.34 0.00 0.00 175.22 174.15 1wa9 s SER 456 N -2.61 -0.06 -0.32 0.00 1.04 -0.91 -4.87 113.70 105.96 1wa9 s SER 456 Ca 0.27 -0.88 -0.29 0.00 0.48 0.00 0.00 55.95 55.53 1wa9 s SER 456 Cb -0.02 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1wa9 s SER 456 CO 0.17 -1.38 1.28 -1.59 0.98 0.00 0.00 173.24 172.70 1wa9 s LYS 457 N -3.47 3.89 -0.04 4.02 0.00 -1.26 -4.51 119.74 118.36 1wa9 s LYS 457 Ca 0.16 1.17 -0.09 0.00 0.00 0.00 0.00 55.97 57.21 1wa9 s LYS 457 Cb -0.04 -3.88 -0.04 0.00 0.00 0.00 0.00 37.83 33.87 1wa9 s LYS 457 CO 0.10 -1.16 0.27 -2.30 0.00 0.00 0.00 175.35 172.26 1wa9 n PRO 458 N 7.37 0.00 -4.50 1.78 -0.02 -1.26 -4.96 135.00 133.42 1wa9 n PRO 458 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 1wa9 n PRO 458 Cb 0.47 -0.31 -0.10 0.00 -0.02 0.00 0.00 33.50 33.54 1wa9 n PRO 458 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1wa9 s TYR 459 N 0.26 2.41 -0.26 6.00 1.13 -1.11 -4.82 117.35 120.95 1wa9 s TYR 459 Ca 0.20 -0.46 -0.20 0.00 -1.41 0.00 0.00 57.07 55.20 1wa9 s TYR 459 Cb -0.28 -1.33 -0.02 0.00 -1.10 0.00 0.00 41.96 39.23 1wa9 s TYR 459 CO 0.14 0.59 0.61 1.03 -2.51 0.00 0.00 175.55 175.41 1wa9 s ARG 460 N -3.61 4.07 -0.12 -3.49 0.52 -1.23 -0.24 118.95 114.85 1wa9 s ARG 460 Ca 0.32 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 1wa9 s ARG 460 Cb 0.01 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1wa9 s ARG 460 CO 0.17 -0.43 -0.14 0.12 0.02 0.00 0.00 175.30 175.04 1wa9 s PHE 461 N 2.48 2.79 -0.63 -0.53 2.19 -0.28 -3.52 117.98 120.48 1wa9 s PHE 461 Ca 0.25 -0.66 -0.28 0.00 0.33 0.00 0.00 56.93 56.57 1wa9 s PHE 461 Cb -0.15 -1.82 0.02 0.00 -1.31 0.00 0.00 43.02 39.75 1wa9 s PHE 461 CO 0.09 -0.22 1.35 -1.17 1.83 0.00 0.00 175.22 177.11 1wa9 s LEU 462 N 0.31 3.32 0.00 6.12 2.96 -0.51 -0.50 118.68 130.38 1wa9 s LEU 462 Ca -0.11 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1wa9 s LEU 462 Cb -0.16 -2.88 0.08 0.00 0.50 0.00 0.00 46.19 43.74 1wa9 s LEU 462 CO 0.06 -1.75 0.36 2.30 -1.32 0.00 0.00 176.35 176.00 1wa9 n ILE 463 N 6.69 0.00 0.23 6.68 -0.00 -1.11 -4.92 119.36 126.92 1wa9 n ILE 463 Ca 0.09 -0.21 -0.11 0.00 -0.00 0.00 0.00 62.75 62.52 1wa9 n ILE 463 Cb 0.49 -1.41 -0.05 0.00 -0.00 0.00 0.00 39.64 38.67 1wa9 n ILE 463 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1wa9 h GLN 464 N 0.00 -0.63 -0.32 6.28 5.75 -1.39 -3.26 115.11 121.54 1wa9 h GLN 464 Ca -0.13 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1wa9 h GLN 464 Cb 0.37 0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1wa9 h GLN 464 CO 0.09 -0.42 0.00 0.27 -2.65 0.00 0.00 178.83 176.12 1wa9 n ASN 465 N -3.98 0.32 0.00 -0.69 2.04 -1.19 -4.65 115.26 107.12 1wa9 n ASN 465 Ca -0.08 -0.65 0.00 0.00 -0.44 0.00 0.00 54.58 53.41 1wa9 n ASN 465 Cb 0.27 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 1wa9 n ASN 465 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wa9 n GLY 466 N 0.33 2.83 3.47 4.83 0.00 -1.23 -4.27 105.19 111.15 1wa9 n GLY 466 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wa9 n GLY 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa9 s TYR 468 N -2.77 1.43 0.37 0.00 2.02 -1.26 -2.76 117.35 114.38 1wa9 s TYR 468 Ca 0.71 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 1wa9 s TYR 468 Cb -0.08 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 1wa9 s TYR 468 CO 0.56 0.17 0.11 0.14 -1.57 0.00 0.00 175.55 174.96 1wa9 s VAL 469 N -2.47 0.73 -0.30 0.71 -7.23 0.34 -4.61 120.40 107.56 1wa9 s VAL 469 Ca 0.12 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1wa9 s VAL 469 Cb -0.03 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1wa9 s VAL 469 CO 0.03 0.00 0.06 -0.76 -0.31 0.00 0.00 175.10 174.12 1wa9 s LEU 470 N -3.54 3.87 -0.21 1.32 1.43 -1.00 -1.13 118.68 119.42 1wa9 s LEU 470 Ca 0.29 -0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1wa9 s LEU 470 Cb 0.05 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1wa9 s LEU 470 CO 0.15 -0.22 0.13 -0.22 0.23 0.00 0.00 176.35 176.42 1wa9 s LEU 471 N 1.44 4.15 -0.42 1.79 2.96 0.67 0.26 118.68 129.52 1wa9 s LEU 471 Ca 0.01 0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 1wa9 s LEU 471 Cb -0.18 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1wa9 s LEU 471 CO 0.01 0.16 0.59 -0.70 -1.32 0.00 0.00 176.35 175.09 1wa9 s GLU 472 N 0.50 3.29 0.01 1.98 2.12 0.46 -2.77 118.70 124.29 1wa9 s GLU 472 Ca 0.07 -0.41 0.08 0.00 0.36 0.00 0.00 54.97 55.07 1wa9 s GLU 472 Cb -0.12 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 1wa9 s GLU 472 CO -0.01 -0.94 -0.25 0.99 -0.54 0.00 0.00 175.26 174.52 1wa9 s THR 473 N 2.64 2.21 -0.51 -1.70 2.01 -1.26 -2.60 115.64 116.43 1wa9 s THR 473 Ca 0.20 -1.22 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1wa9 s THR 473 Cb -0.15 -1.82 0.13 0.00 0.01 0.00 0.00 72.50 70.67 1wa9 s THR 473 CO 0.17 0.47 0.25 -0.70 -0.69 0.00 0.00 174.62 174.13 1wa9 s GLU 474 N -0.96 1.97 0.58 4.92 2.12 -0.98 -2.15 118.70 124.21 1wa9 s GLU 474 Ca 0.11 -2.58 -0.19 0.00 0.36 0.00 0.00 54.97 52.67 1wa9 s GLU 474 Cb -0.10 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1wa9 s GLU 474 CO 0.01 -1.10 1.15 -1.58 -0.54 0.00 0.00 175.26 173.20 1wa9 s TRP 475 N -0.22 2.56 0.16 5.30 0.52 -0.21 -3.15 118.94 123.91 1wa9 s TRP 475 Ca 0.17 1.54 -0.21 0.00 0.02 0.00 0.00 56.10 57.61 1wa9 s TRP 475 Cb -0.25 -3.34 0.06 0.00 -1.15 0.00 0.00 33.47 28.79 1wa9 s TRP 475 CO -0.01 -1.81 0.56 0.95 0.02 0.00 0.00 176.95 176.67 1wa9 s THR 476 N -1.80 0.02 0.20 2.01 -4.23 -0.93 -3.13 115.64 107.78 1wa9 s THR 476 Ca 0.73 -0.23 -0.23 0.00 -1.18 0.00 0.00 61.69 60.79 1wa9 s THR 476 Cb -0.25 -1.14 0.05 0.00 1.34 0.00 0.00 72.50 72.50 1wa9 s THR 476 CO 0.31 -0.07 0.71 -0.94 -0.54 0.00 0.00 174.62 174.10 1wa9 s SER 477 N -2.78 -0.37 -0.03 3.99 1.04 -1.26 -0.35 113.70 113.94 1wa9 s SER 477 Ca 0.03 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.19 1wa9 s SER 477 Cb -0.01 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1wa9 s SER 477 CO -0.11 -1.12 -0.23 0.12 0.98 0.00 0.00 173.24 172.89 1wa9 s PHE 478 N -3.74 2.11 -0.15 5.02 2.19 -0.60 -4.57 117.98 118.24 1wa9 s PHE 478 Ca 0.07 -0.46 0.01 0.00 0.33 0.00 0.00 56.93 56.87 1wa9 s PHE 478 Cb -0.03 -1.37 0.02 0.00 -1.31 0.00 0.00 43.02 40.33 1wa9 s PHE 478 CO -0.02 -0.08 -0.15 0.08 1.83 0.00 0.00 175.22 176.88 1wa9 s VAL 479 N -0.41 1.63 -0.29 3.12 1.01 -1.26 -0.71 120.40 123.48 1wa9 s VAL 479 Ca 0.05 -0.68 -0.35 0.00 0.00 0.00 0.00 61.98 61.01 1wa9 s VAL 479 Cb -0.10 -1.52 -0.11 0.00 0.00 0.00 0.00 36.38 34.65 1wa9 s VAL 479 CO 0.00 0.47 2.12 -3.20 0.00 0.00 0.00 175.10 174.49 1wa9 n ASN 480 N 4.67 2.45 0.00 3.32 2.85 -0.28 -4.79 115.26 123.48 1wa9 n ASN 480 Ca -0.18 0.52 0.09 0.00 -0.11 0.00 0.00 54.58 54.90 1wa9 n ASN 480 Cb 0.50 -1.30 0.54 0.00 1.24 0.00 0.00 39.78 40.77 1wa9 n ASN 480 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1wa9 n PRO 481 N 7.83 0.69 -0.04 1.20 -0.04 -1.26 0.77 135.00 144.15 1wa9 n PRO 481 Ca 0.36 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1wa9 n PRO 481 Cb 0.25 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 1wa9 n PRO 481 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1wa9 n TRP 482 N -0.92 0.00 1.02 0.54 8.01 -1.26 -4.53 117.44 120.30 1wa9 n TRP 482 Ca 0.14 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.44 1wa9 n TRP 482 Cb 0.06 -0.36 -0.01 0.00 -2.01 0.00 0.00 31.31 28.99 1wa9 n TRP 482 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1wa9 n SER 483 N -2.54 1.33 -4.01 -0.99 3.41 -1.20 -4.97 113.62 104.64 1wa9 n SER 483 Ca -0.15 -1.11 -0.33 0.00 -0.26 0.00 0.00 58.87 57.03 1wa9 n SER 483 Cb 0.71 0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 1wa9 n SER 483 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wa9 n ARG 484 N -0.90 -3.50 -4.39 4.33 1.74 0.23 -4.97 116.66 109.21 1wa9 n ARG 484 Ca 0.07 0.41 -0.28 0.00 -0.77 0.00 0.00 57.85 57.28 1wa9 n ARG 484 Cb 0.38 -5.16 -0.13 0.00 -1.02 0.00 0.00 32.46 26.53 1wa9 n ARG 484 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wa9 s LYS 485 N -6.71 1.39 0.14 5.56 3.01 -1.18 -2.45 119.74 119.50 1wa9 s LYS 485 Ca 0.67 -1.36 -0.31 0.00 -1.01 0.00 0.00 55.97 53.97 1wa9 s LYS 485 Cb -0.36 -1.85 -0.08 0.00 -1.01 0.00 0.00 37.83 34.53 1wa9 s LYS 485 CO 0.83 0.43 1.32 -1.17 0.51 0.00 0.00 175.35 177.27 1wa9 s LEU 486 N -2.13 4.39 -0.17 3.17 2.96 -1.26 -1.12 118.68 124.51 1wa9 s LEU 486 Ca 0.14 2.30 -0.14 0.00 -0.22 0.00 0.00 54.13 56.22 1wa9 s LEU 486 Cb -0.10 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1wa9 s LEU 486 CO 0.06 -0.57 -0.16 1.21 -1.32 0.00 0.00 176.35 175.58 1wa9 n GLU 487 N 3.39 0.50 -3.75 1.98 4.07 0.11 -4.61 120.64 122.34 1wa9 n GLU 487 Ca 0.09 0.45 -0.13 0.00 -0.06 0.00 0.00 57.16 57.51 1wa9 n GLU 487 Cb 0.43 -1.63 -0.08 0.00 -0.06 0.00 0.00 31.44 30.10 1wa9 n GLU 487 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1wa9 s PHE 488 N -2.43 -0.16 -0.09 4.31 -0.71 -1.22 -3.11 117.98 114.58 1wa9 s PHE 488 Ca -0.22 0.14 0.02 0.00 -1.04 0.00 0.00 56.93 55.82 1wa9 s PHE 488 Cb 0.04 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1wa9 s PHE 488 CO 0.36 -0.46 -0.14 0.08 -1.34 0.00 0.00 175.22 173.72 1wa9 s VAL 489 N -1.96 3.04 -0.04 -2.49 1.01 -0.53 -1.56 120.40 117.87 1wa9 s VAL 489 Ca -0.09 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1wa9 s VAL 489 Cb -0.03 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1wa9 s VAL 489 CO 0.01 0.56 -0.14 0.54 0.00 0.00 0.00 175.10 176.07 1wa9 s VAL 490 N -0.20 1.17 -0.20 2.92 0.11 0.52 -1.91 120.40 122.81 1wa9 s VAL 490 Ca 0.00 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1wa9 s VAL 490 Cb -0.13 -1.02 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1wa9 s VAL 490 CO 0.03 0.35 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.26 1wa9 s GLY 491 N 0.21 1.61 0.06 6.54 0.00 0.86 -2.18 107.32 114.42 1wa9 s GLY 491 Ca -0.06 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.31 1wa9 s GLY 491 CO 0.02 0.27 0.85 0.30 0.00 0.00 0.00 173.10 174.54 1wa9 s HIS 492 N 1.17 3.76 0.26 1.90 3.76 -1.19 -1.74 115.29 123.20 1wa9 s HIS 492 Ca 0.02 1.60 0.06 0.00 -0.15 0.00 0.00 55.06 56.59 1wa9 s HIS 492 Cb -0.14 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 1wa9 s HIS 492 CO -0.01 0.23 -0.07 -1.01 -0.85 0.00 0.00 174.74 173.03 1wa9 s HIS 493 N 0.04 1.84 -0.23 1.40 3.76 0.37 -2.30 115.29 120.15 1wa9 s HIS 493 Ca 0.42 -0.71 -0.20 0.00 -0.15 0.00 0.00 55.06 54.43 1wa9 s HIS 493 Cb -0.21 -1.01 0.06 0.00 1.11 0.00 0.00 32.58 32.53 1wa9 s HIS 493 CO 0.26 0.25 0.61 1.03 -0.85 0.00 0.00 174.74 176.04 1wa9 s ARG 494 N -3.73 0.70 -0.17 1.40 1.81 -1.07 -1.31 118.95 116.58 1wa9 s ARG 494 Ca 0.28 0.90 -0.24 0.00 -1.72 0.00 0.00 55.73 54.95 1wa9 s ARG 494 Cb 0.03 0.30 -0.02 0.00 -0.45 0.00 0.00 34.95 34.81 1wa9 s ARG 494 CO 0.10 -0.10 0.76 0.08 -0.68 0.00 0.00 175.30 175.46 1wa9 s VAL 495 N 0.58 4.94 -0.06 3.52 1.01 -1.26 -0.40 120.40 128.73 1wa9 s VAL 495 Ca -0.02 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1wa9 s VAL 495 Cb -0.05 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1wa9 s VAL 495 CO -0.03 0.08 -0.00 0.15 0.00 0.00 0.00 175.10 175.30 1wa9 h PHE 496 N 7.31 0.00 -3.48 5.22 -0.00 0.31 -3.40 116.94 122.91 1wa9 h PHE 496 Ca -0.31 0.00 -0.67 0.00 -0.00 0.00 0.00 57.97 56.99 1wa9 h PHE 496 Cb 1.14 0.00 -0.28 0.00 -0.00 0.00 0.00 35.95 36.81 1wa9 h PHE 496 CO 0.71 0.00 -0.70 -1.14 -0.00 0.00 0.00 178.31 177.17 1wa9 s GLN 497 N -1.34 3.16 0.38 1.11 0.74 -1.04 -1.61 119.66 121.06 1wa9 s GLN 497 Ca -0.00 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 1wa9 s GLN 497 Cb 0.00 -3.09 0.07 0.00 1.10 0.00 0.00 33.01 31.09 1wa9 s GLN 497 CO 0.00 -0.31 0.17 0.41 -0.55 0.00 0.00 175.29 175.01 1wa9 n GLY 498 N 4.78 -1.87 1.83 2.59 0.00 0.46 -2.38 105.19 110.61 1wa9 n GLY 498 Ca -0.17 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1wa9 n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wa9 n PRO 499 N -1.12 0.18 -0.07 1.61 -0.04 -1.24 -4.63 135.00 129.68 1wa9 n PRO 499 Ca 0.03 -1.25 -0.09 0.00 -0.04 0.00 0.00 63.50 62.15 1wa9 n PRO 499 Cb 0.12 -0.35 -0.07 0.00 -0.04 0.00 0.00 33.50 33.16 1wa9 n PRO 499 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wa9 h LYS 500 N 0.00 0.00 -5.41 0.54 3.11 -1.83 -3.16 116.57 109.82 1wa9 h LYS 500 Ca -0.16 0.00 -0.64 0.00 -2.81 0.00 0.00 60.65 57.04 1wa9 h LYS 500 Cb 0.58 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 31.66 1wa9 h LYS 500 CO 0.17 0.52 0.44 -0.65 -2.81 0.00 0.00 179.45 177.11 1wa9 s GLN 501 N -2.01 3.16 0.62 1.90 -1.52 -1.26 -4.62 119.66 115.94 1wa9 s GLN 501 Ca -0.13 -0.74 0.24 0.00 -1.95 0.00 0.00 55.36 52.78 1wa9 s GLN 501 Cb 0.00 -4.17 1.06 0.00 -0.22 0.00 0.00 33.01 29.68 1wa9 s GLN 501 CO 0.37 -1.62 1.53 0.00 -0.25 0.00 0.00 175.29 175.33 1wa9 s ASN 503 N -4.07 6.19 0.33 0.00 2.47 -1.26 -4.36 114.94 114.24 1wa9 s ASN 503 Ca -0.03 -1.09 0.04 0.00 0.42 0.00 0.00 52.86 52.20 1wa9 s ASN 503 Cb 0.11 -2.40 0.65 0.00 -1.45 0.00 0.00 41.25 38.17 1wa9 s ASN 503 CO 0.39 -1.38 1.93 1.62 -3.72 0.00 0.00 177.10 175.94 1wa9 h VAL 504 N 5.96 1.03 -0.00 -5.21 3.04 -1.94 -0.86 116.25 118.27 1wa9 h VAL 504 Ca -0.28 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 1wa9 h VAL 504 Cb 1.07 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1wa9 h VAL 504 CO 1.17 0.16 -0.05 0.49 -1.01 0.00 0.00 177.57 178.33 1wa9 n PHE 505 N -4.49 0.00 -1.47 3.17 3.72 -1.26 -3.15 117.46 113.98 1wa9 n PHE 505 Ca 0.12 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 1wa9 n PHE 505 Cb 0.23 -0.26 0.08 0.00 -0.94 0.00 0.00 39.48 38.60 1wa9 n PHE 505 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1wa9 n GLU 506 N -1.19 0.68 -2.05 -1.08 2.13 -0.33 -4.91 120.64 113.89 1wa9 n GLU 506 Ca 0.14 0.29 -0.41 0.00 0.66 0.00 0.00 57.16 57.84 1wa9 n GLU 506 Cb 0.26 -2.29 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 1wa9 n GLU 506 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wa9 s ALA 507 N -1.69 3.51 -0.24 4.31 0.00 -1.26 -4.16 121.76 122.23 1wa9 s ALA 507 Ca 0.76 1.32 -0.24 0.00 0.00 0.00 0.00 51.96 53.80 1wa9 s ALA 507 Cb -0.36 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 1wa9 s ALA 507 CO 0.47 -0.73 0.80 0.00 0.00 0.00 0.00 175.76 176.31 1wa9 s ALA 508 N -1.14 3.64 -0.11 0.00 0.00 -1.26 -4.88 121.76 118.00 1wa9 s ALA 508 Ca 0.50 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 1wa9 s ALA 508 Cb -0.41 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1wa9 s ALA 508 CO 0.55 -0.89 1.14 -1.25 0.00 0.00 0.00 175.76 175.31 1wa9 s PRO 509 N 2.74 4.33 0.03 0.00 0.04 -1.26 -4.94 135.00 135.94 1wa9 s PRO 509 Ca 0.34 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1wa9 s PRO 509 Cb -0.15 -3.60 -0.07 0.00 0.04 0.00 0.00 34.50 30.71 1wa9 s PRO 509 CO 0.08 -0.49 1.55 -0.08 0.04 0.00 0.00 177.00 178.10 1wa9 s THR 510 N 2.54 3.36 0.00 1.26 -1.32 -1.26 -4.95 115.64 115.28 1wa9 s THR 510 Ca 0.52 0.76 0.00 0.00 -1.21 0.00 0.00 61.69 61.76 1wa9 s THR 510 Cb -0.21 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 1wa9 s THR 510 CO 0.17 -0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.57 1wa9 n LYS 512 N 0.00 0.59 -4.08 0.00 4.01 -1.26 -5.19 118.16 112.23 1wa9 n LYS 512 Ca 0.00 -1.48 -0.11 0.00 -0.51 0.00 0.00 58.31 56.21 1wa9 n LYS 512 Cb 0.00 1.66 -0.07 0.00 -0.51 0.00 0.00 35.03 36.12 1wa9 n LYS 512 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1wa9 s LEU 513 N 0.00 0.70 0.00 -0.35 0.05 -1.26 -5.18 118.68 112.64 1wa9 s LEU 513 Ca 0.13 -1.17 0.00 0.00 0.05 0.00 0.00 54.13 53.14 1wa9 s LEU 513 Cb -0.02 1.27 0.00 0.00 -2.05 0.00 0.00 46.19 45.39 1wa9 s LEU 513 CO 0.09 -1.07 0.00 2.29 -0.55 0.00 0.00 176.35 177.12 1wa9 n LYS 514 N -0.38 -2.27 -3.17 1.48 -0.00 -1.26 -5.13 118.16 107.42 1wa9 n LYS 514 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1wa9 n LYS 514 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.65 1wa9 n LYS 514 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1wa9 s ILE 515 N -2.42 -0.94 0.00 0.58 2.07 -1.26 -5.07 121.20 114.15 1wa9 s ILE 515 Ca 0.00 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1wa9 s ILE 515 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1wa9 s ILE 515 CO 0.00 -0.04 0.00 -0.24 -1.91 0.00 0.00 174.94 172.75 1wa9 n SER 516 N 5.41 0.00 0.31 4.50 2.88 -1.26 -0.18 113.62 125.28 1wa9 n SER 516 Ca 0.04 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.77 1wa9 n SER 516 Cb 0.53 0.00 1.04 0.00 -0.75 0.00 0.00 64.21 65.03 1wa9 n SER 516 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1wa9 h GLU 517 N 0.00 0.00 0.00 -1.46 9.09 -1.99 -1.24 114.58 118.98 1wa9 h GLU 517 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1wa9 h GLU 517 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1wa9 h GLU 517 CO 0.00 0.00 -0.15 0.39 0.05 0.00 0.00 179.01 179.30 1wa9 n GLU 518 N -2.89 1.17 0.19 1.06 1.02 0.75 -4.48 120.64 117.46 1wa9 n GLU 518 Ca -0.03 -2.52 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 1wa9 n GLU 518 Cb 0.12 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1wa9 n GLU 518 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wa9 n ALA 519 N -1.21 0.97 0.14 0.62 0.00 -0.51 -4.54 120.51 115.98 1wa9 n ALA 519 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1wa9 n ALA 519 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.14 1wa9 n ALA 519 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wa9 n GLN 520 N -3.38 0.07 0.00 0.00 -0.06 -0.50 -2.01 117.38 111.49 1wa9 n GLN 520 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1wa9 n GLN 520 Cb 0.00 -1.17 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 1wa9 n GLN 520 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1wa9 n SER 521 N -0.67 0.00 -0.34 1.69 7.64 -1.23 -4.55 113.62 116.16 1wa9 n SER 521 Ca 0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.99 1wa9 n SER 521 Cb 0.00 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.48 1wa9 n SER 521 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1wa9 h ARG 522 N 0.00 0.74 0.00 1.43 9.65 -1.75 0.68 114.38 125.12 1wa9 h ARG 522 Ca 0.00 -0.04 -0.25 0.00 -1.10 0.00 0.00 59.98 58.59 1wa9 h ARG 522 Cb 0.00 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 1wa9 h ARG 522 CO 0.00 0.49 -1.40 0.09 2.80 0.00 0.00 179.97 181.94 1wa9 n ASN 523 N -4.78 1.87 0.00 -3.80 4.13 -0.85 -2.66 115.26 109.17 1wa9 n ASN 523 Ca 0.21 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.89 1wa9 n ASN 523 Cb 0.49 -0.94 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 1wa9 n ASN 523 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1wa9 n THR 524 N -4.42 1.04 -0.09 3.41 5.66 -1.13 -0.63 114.28 118.12 1wa9 n THR 524 Ca -0.34 0.49 -0.15 0.00 -3.05 0.00 0.00 64.05 61.00 1wa9 n THR 524 Cb 0.69 -1.49 -0.08 0.00 -1.55 0.00 0.00 70.33 67.90 1wa9 n THR 524 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1wa9 n ARG 525 N -1.26 0.42 -0.04 1.09 1.74 0.22 -4.15 116.66 114.68 1wa9 n ARG 525 Ca 0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1wa9 n ARG 525 Cb 0.23 -1.28 0.30 0.00 -1.02 0.00 0.00 32.46 30.68 1wa9 n ARG 525 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1wa9 h ILE 526 N -0.24 1.19 0.09 0.55 -0.00 -0.64 -2.38 117.51 116.07 1wa9 h ILE 526 Ca -0.42 -0.65 -0.00 0.00 -0.00 0.00 0.00 64.86 63.78 1wa9 h ILE 526 Cb 1.54 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 39.11 1wa9 h ILE 526 CO -0.14 0.24 -0.04 0.11 -0.00 0.00 0.00 178.15 178.31 1wa9 h LYS 527 N 0.61 -0.11 -1.23 2.19 1.57 -1.36 -2.68 116.57 115.56 1wa9 h LYS 527 Ca 0.14 0.01 0.38 0.00 -1.87 0.00 0.00 60.65 59.31 1wa9 h LYS 527 Cb 0.22 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.44 1wa9 h LYS 527 CO -0.00 0.17 0.79 1.49 -0.57 0.00 0.00 179.45 181.33 1wa9 h GLU 528 N -0.40 0.17 0.00 3.15 4.57 -1.60 1.84 114.58 122.31 1wa9 h GLU 528 Ca -0.01 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1wa9 h GLU 528 Cb 0.34 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1wa9 h GLU 528 CO 0.02 0.12 -0.02 -0.44 -1.18 0.00 0.00 179.01 177.50 1wa9 h ASP 529 N 0.18 0.00 -0.01 1.04 3.32 -1.12 -2.78 116.42 117.05 1wa9 h ASP 529 Ca 0.74 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.59 1wa9 h ASP 529 Cb 2.23 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.80 1wa9 h ASP 529 CO -0.38 0.02 -0.81 0.40 -1.72 0.00 0.00 179.24 176.76 1wa9 h ILE 530 N 0.00 1.35 0.52 0.35 2.04 0.30 -1.93 117.51 120.13 1wa9 h ILE 530 Ca -0.00 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.69 1wa9 h ILE 530 Cb 0.81 2.46 0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1wa9 h ILE 530 CO 0.00 0.65 -0.25 1.62 0.00 0.00 0.00 178.15 180.17 1wa9 h VAL 531 N 0.16 0.44 -0.93 1.67 3.04 -1.42 -2.43 116.25 116.78 1wa9 h VAL 531 Ca -0.10 -0.25 0.22 0.00 -1.01 0.00 0.00 66.70 65.56 1wa9 h VAL 531 Cb 1.49 0.55 -0.12 0.00 -2.01 0.00 0.00 31.29 31.20 1wa9 h VAL 531 CO 0.16 0.04 0.47 0.50 -1.01 0.00 0.00 177.57 177.73 1wa9 h LYS 532 N -0.86 0.49 0.00 4.17 3.11 -1.57 0.48 116.57 122.39 1wa9 h LYS 532 Ca -0.07 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1wa9 h LYS 532 Cb 0.60 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1wa9 h LYS 532 CO 0.12 0.32 0.00 -2.13 -2.81 0.00 0.00 179.45 174.95 1wa9 n ARG 533 N -4.96 0.79 -0.07 1.90 3.00 -0.73 -1.73 116.66 114.87 1wa9 n ARG 533 Ca 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 58.03 1wa9 n ARG 533 Cb 0.65 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.48 1wa9 n ARG 533 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1wa9 n LEU 534 N -1.01 0.00 0.11 6.15 7.94 0.16 -4.14 117.00 126.21 1wa9 n LEU 534 Ca 0.19 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.21 1wa9 n LEU 534 Cb 0.09 0.33 0.45 0.00 0.53 0.00 0.00 43.42 44.83 1wa9 n LEU 534 CO 0.14 0.33 0.87 0.00 -1.11 0.00 0.00 177.39 177.63 1wa9 n ALA 535 N -2.53 1.98 -1.61 1.96 0.00 -0.58 -4.48 120.51 115.25 1wa9 n ALA 535 Ca -0.23 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 1wa9 n ALA 535 Cb 0.93 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1wa9 n ALA 535 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wa9 s GLU 536 N -3.19 2.31 -0.87 0.00 0.41 -1.08 -4.84 118.70 111.44 1wa9 s GLU 536 Ca 0.08 1.44 -0.33 0.00 -0.41 0.00 0.00 54.97 55.74 1wa9 s GLU 536 Cb 0.11 -4.53 -0.20 0.00 -1.78 0.00 0.00 34.13 27.73 1wa9 s GLU 536 CO 0.49 -3.04 2.57 -2.37 -0.49 0.00 0.00 175.26 172.41 1wa9 n THR 537 N 7.89 -0.00 -0.48 3.63 5.66 -1.26 -4.88 114.28 124.83 1wa9 n THR 537 Ca 0.34 -0.05 -0.29 0.00 -3.05 0.00 0.00 64.05 61.01 1wa9 n THR 537 Cb 0.53 -0.65 0.25 0.00 -1.55 0.00 0.00 70.33 68.92 1wa9 n THR 537 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1wa9 n VAL 538 N 7.34 0.00 -4.15 1.08 3.14 -1.03 -5.02 118.33 119.70 1wa9 n VAL 538 Ca 0.62 -0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 61.38 1wa9 n VAL 538 Cb 0.05 -0.95 -0.14 0.00 -1.06 0.00 0.00 33.84 31.73 1wa9 n VAL 538 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wa9 s SER 539 N -2.32 0.60 -0.56 6.55 0.15 -1.26 -4.83 113.70 112.02 1wa9 s SER 539 Ca 0.67 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 57.27 1wa9 s SER 539 Cb -0.24 -0.08 0.15 0.00 -1.71 0.00 0.00 66.02 64.14 1wa9 s SER 539 CO 0.66 0.06 0.35 -0.13 1.20 0.00 0.00 173.24 175.38 1wa9 s ARG 540 N -0.08 1.89 0.83 5.44 1.81 -1.26 -4.83 118.95 122.75 1wa9 s ARG 540 Ca 0.01 -2.71 -0.13 0.00 -1.72 0.00 0.00 55.73 51.18 1wa9 s ARG 540 Cb -0.02 -2.93 0.07 0.00 -0.45 0.00 0.00 34.95 31.61 1wa9 s ARG 540 CO -0.00 -1.22 0.99 -2.30 -0.68 0.00 0.00 175.30 172.09 1wa9 n PRO 541 N 2.74 0.07 -3.67 3.54 -0.02 -1.26 -5.03 135.00 131.36 1wa9 n PRO 541 Ca 0.14 0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 1wa9 n PRO 541 Cb 0.35 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 1wa9 n PRO 541 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wa9 s SER 542 N -2.06 -0.67 0.00 2.55 0.15 -1.26 -5.02 113.70 107.38 1wa9 s SER 542 Ca 0.69 1.17 0.01 0.00 0.70 0.00 0.00 55.95 58.52 1wa9 s SER 542 Cb -0.28 1.09 0.05 0.00 -1.71 0.00 0.00 66.02 65.17 1wa9 s SER 542 CO 0.55 -0.21 0.65 0.47 1.20 0.00 0.00 173.24 175.90 1wa9 n ASP 543 N 3.76 0.00 -1.35 5.45 10.43 -1.26 -2.50 116.55 131.08 1wa9 n ASP 543 Ca -0.19 -1.19 0.08 0.00 2.57 0.00 0.00 54.79 56.06 1wa9 n ASP 543 Cb 0.57 0.00 0.32 0.00 1.84 0.00 0.00 41.12 43.84 1wa9 n ASP 543 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1wa9 n THR 544 N -0.52 1.91 0.03 -3.53 -2.24 -1.26 -4.18 114.28 104.49 1wa9 n THR 544 Ca 0.01 -1.33 -0.15 0.00 -2.27 0.00 0.00 64.05 60.31 1wa9 n THR 544 Cb 0.00 0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 1wa9 n THR 544 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1wa9 h VAL 545 N 3.34 1.00 -0.50 2.28 -1.51 -1.93 -3.22 116.25 115.71 1wa9 h VAL 545 Ca 0.00 -2.71 -0.09 0.00 -1.23 0.00 0.00 66.70 62.67 1wa9 h VAL 545 Cb 1.41 2.63 -0.02 0.00 -2.13 0.00 0.00 31.29 33.18 1wa9 h VAL 545 CO 0.23 0.76 -0.02 0.50 -1.23 0.00 0.00 177.57 177.80 1wa9 h LYS 546 N 0.05 0.90 0.00 5.19 3.11 -1.82 -1.53 116.57 122.47 1wa9 h LYS 546 Ca -0.28 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 1wa9 h LYS 546 Cb 2.01 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 33.16 1wa9 h LYS 546 CO 0.12 0.94 0.00 0.37 -2.81 0.00 0.00 179.45 178.08 1wa9 h GLN 547 N 0.76 0.00 0.00 1.90 -0.00 -1.76 0.80 115.11 116.81 1wa9 h GLN 547 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1wa9 h GLN 547 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1wa9 h GLN 547 CO 0.03 0.00 -0.19 -1.91 0.00 0.00 0.00 178.83 176.76 1wa9 n GLU 548 N -2.57 0.13 0.32 1.69 4.07 -0.75 -3.22 120.64 120.31 1wa9 n GLU 548 Ca -0.02 0.23 0.14 0.00 -0.06 0.00 0.00 57.16 57.45 1wa9 n GLU 548 Cb 0.05 -0.92 0.72 0.00 -0.06 0.00 0.00 31.44 31.23 1wa9 n GLU 548 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1wa9 h VAL 549 N -0.28 0.01 0.00 6.31 2.07 -1.27 0.62 116.25 123.72 1wa9 h VAL 549 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1wa9 h VAL 549 Cb 0.19 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wa9 h VAL 549 CO 0.00 0.00 -1.21 -1.20 0.02 0.00 0.00 177.57 175.18 1wa9 n SER 550 N -2.88 0.85 -0.05 0.57 7.64 0.27 -3.17 113.62 116.85 1wa9 n SER 550 Ca -0.01 0.35 0.14 0.00 1.01 0.00 0.00 58.87 60.36 1wa9 n SER 550 Cb 0.47 0.32 0.62 0.00 -1.01 0.00 0.00 64.21 64.61 1wa9 n SER 550 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1wa9 n ARG 551 N -2.77 0.44 0.00 1.43 0.63 0.21 -2.45 116.66 114.14 1wa9 n ARG 551 Ca -0.05 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1wa9 n ARG 551 Cb 0.69 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1wa9 n ARG 551 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wa9 n ARG 552 N -1.19 0.00 -0.34 -0.14 5.12 -0.70 -2.46 116.66 116.95 1wa9 n ARG 552 Ca 0.12 0.32 0.23 0.00 -1.93 0.00 0.00 57.85 56.59 1wa9 n ARG 552 Cb 0.28 -0.81 0.48 0.00 -1.16 0.00 0.00 32.46 31.25 1wa9 n ARG 552 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wa9 h GLN 554 N 0.42 0.44 0.00 0.00 3.07 -1.64 -1.14 115.11 116.25 1wa9 h GLN 554 Ca 0.65 -0.34 -0.13 0.00 0.09 0.00 0.00 58.65 58.92 1wa9 h GLN 554 Cb 1.54 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 29.14 1wa9 h GLN 554 CO -0.40 0.97 -0.80 0.00 0.09 0.00 0.00 178.83 178.68 1wa9 h ALA 555 N 0.94 0.65 -0.02 0.06 0.00 -0.46 -1.18 119.26 119.24 1wa9 h ALA 555 Ca -0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 1wa9 h ALA 555 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wa9 h ALA 555 CO 0.12 0.74 -0.18 1.25 0.00 0.00 0.00 179.25 181.18 1wa9 h LEU 556 N 0.00 0.19 -0.07 0.00 6.46 0.21 -3.16 115.31 118.94 1wa9 h LEU 556 Ca -0.05 -0.71 -0.01 0.00 -0.12 0.00 0.00 57.88 56.99 1wa9 h LEU 556 Cb 1.46 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.33 1wa9 h LEU 556 CO 0.06 0.87 0.01 0.00 -0.62 0.00 0.00 178.44 178.77 1wa9 h ALA 557 N 0.32 0.09 0.00 1.25 0.00 -1.29 0.37 119.26 120.01 1wa9 h ALA 557 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1wa9 h ALA 557 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wa9 h ALA 557 CO 0.04 -0.26 0.28 0.45 0.00 0.00 0.00 179.25 179.75 1wa9 n SER 558 N -4.89 0.19 -0.07 0.00 2.88 -0.45 0.11 113.62 111.39 1wa9 n SER 558 Ca -0.06 0.44 -0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1wa9 n SER 558 Cb 0.16 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1wa9 n SER 558 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1wa9 n PHE 559 N -1.73 0.00 -0.27 0.66 7.35 -0.91 -3.85 117.46 118.71 1wa9 n PHE 559 Ca -0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1wa9 n PHE 559 Cb 0.29 -0.55 0.41 0.00 0.35 0.00 0.00 39.48 39.98 1wa9 n PHE 559 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1wa9 h MET 560 N 0.00 0.59 0.23 -4.13 4.05 0.29 0.58 114.93 116.55 1wa9 h MET 560 Ca -0.32 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.05 1wa9 h MET 560 Cb 1.50 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1wa9 h MET 560 CO -0.05 0.39 -0.11 0.93 0.23 0.00 0.00 176.91 178.30 1wa9 h GLU 561 N 0.61 -0.30 -1.04 0.39 4.39 -0.54 -2.73 114.58 115.37 1wa9 h GLU 561 Ca 0.48 0.02 0.27 0.00 0.34 0.00 0.00 59.36 60.47 1wa9 h GLU 561 Cb 0.90 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.51 1wa9 h GLU 561 CO -0.23 0.07 0.65 1.15 -1.16 0.00 0.00 179.01 179.50 1wa9 h THR 562 N -0.76 0.51 0.51 1.13 2.02 -1.09 0.16 112.91 115.39 1wa9 h THR 562 Ca -0.03 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1wa9 h THR 562 Cb 0.50 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1wa9 h THR 562 CO 0.05 0.08 -0.24 0.25 0.37 0.00 0.00 175.52 176.03 1wa9 h LEU 563 N 0.44 -0.58 -0.86 2.58 5.85 0.23 0.72 115.31 123.69 1wa9 h LEU 563 Ca 0.62 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.37 1wa9 h LEU 563 Cb 1.47 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 1wa9 h LEU 563 CO -0.36 -0.37 0.55 0.24 -0.34 0.00 0.00 178.44 178.16 1wa9 h MET 564 N -0.74 1.05 0.33 1.25 2.86 -0.81 -0.36 114.93 118.51 1wa9 h MET 564 Ca -0.07 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1wa9 h MET 564 Cb 0.55 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1wa9 h MET 564 CO 0.11 0.69 -0.16 0.22 1.06 0.00 0.00 176.91 178.84 1wa9 h ASP 565 N 1.08 -0.37 0.03 1.22 1.82 -0.46 3.90 116.42 123.63 1wa9 h ASP 565 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1wa9 h ASP 565 Cb -0.00 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1wa9 h ASP 565 CO -0.11 -0.25 0.00 -0.08 -1.61 0.00 0.00 179.24 177.18 1wa9 h GLU 566 N -0.45 0.00 0.00 0.28 4.81 0.10 -1.86 114.58 117.46 1wa9 h GLU 566 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wa9 h GLU 566 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1wa9 h GLU 566 CO 0.07 0.00 -0.80 0.28 -0.73 0.00 0.00 179.01 177.83 1wa9 n VAL 567 N -2.42 1.29 0.17 0.32 0.31 -0.20 -3.47 118.33 114.33 1wa9 n VAL 567 Ca -0.02 0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.58 1wa9 n VAL 567 Cb 0.05 -2.18 0.38 0.00 -0.91 0.00 0.00 33.84 31.17 1wa9 n VAL 567 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1wa9 h SER 568 N -0.80 0.00 0.00 4.52 0.87 0.75 -0.57 113.55 118.31 1wa9 h SER 568 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1wa9 h SER 568 Cb 0.80 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 1wa9 h SER 568 CO 0.00 0.00 -2.06 0.54 -0.53 0.00 0.00 176.83 174.78 1wa9 n ARG 569 N -2.09 0.98 0.00 2.24 5.12 -0.71 -4.82 116.66 117.38 1wa9 n ARG 569 Ca -0.01 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1wa9 n ARG 569 Cb 0.32 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1wa9 n ARG 569 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wa9 n ALA 570 N -2.83 -0.19 -1.32 7.54 0.00 -0.24 -4.89 120.51 118.59 1wa9 n ALA 570 Ca -0.29 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 1wa9 n ALA 570 Cb 0.92 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.53 1wa9 n ALA 570 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wa9 n ASP 571 N -1.34 -0.97 0.00 0.00 5.68 -1.14 -5.09 116.55 113.70 1wa9 n ASP 571 Ca 0.00 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.14 1wa9 n ASP 571 Cb 0.00 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.25 1wa9 n ASP 571 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87