#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa9 n LYS 236 N 0.00 2.69 -0.41 7.34 4.81 -1.26 -4.95 118.16 126.37 1wa9 n LYS 236 Ca 0.00 -1.72 -0.12 0.00 -0.87 0.00 0.00 58.31 55.59 1wa9 n LYS 236 Cb 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 1wa9 n LYS 236 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wa9 n GLU 237 N -0.64 0.00 -3.35 1.64 1.02 -1.26 -4.53 120.64 113.52 1wa9 n GLU 237 Ca 0.03 -0.45 -0.11 0.00 -0.02 0.00 0.00 57.16 56.62 1wa9 n GLU 237 Cb 0.33 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 1wa9 n GLU 237 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wa9 s ASP 238 N 4.36 0.65 -0.05 1.62 2.15 -1.26 -5.14 116.67 119.00 1wa9 s ASP 238 Ca 0.19 -0.23 -0.30 0.00 0.43 0.00 0.00 52.55 52.64 1wa9 s ASP 238 Cb 0.04 0.95 0.12 0.00 -0.30 0.00 0.00 42.92 43.73 1wa9 s ASP 238 CO 0.10 -0.34 1.34 -0.94 -0.17 0.00 0.00 175.17 175.15 1wa9 s SER 239 N 2.50 -0.02 -0.03 -0.34 1.04 -1.26 -4.08 113.70 111.51 1wa9 s SER 239 Ca 0.11 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.34 1wa9 s SER 239 Cb -0.14 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.09 1wa9 s SER 239 CO -0.24 -0.19 0.19 0.72 0.98 0.00 0.00 173.24 174.69 1wa9 s PHE 240 N -2.15 -0.08 0.24 5.02 -0.71 -0.48 -4.81 117.98 115.01 1wa9 s PHE 240 Ca 0.21 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.28 1wa9 s PHE 240 Cb 0.03 0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.88 1wa9 s PHE 240 CO -0.04 -0.24 0.18 0.00 -1.34 0.00 0.00 175.22 173.78 1wa9 s VAL 243 N -2.31 0.69 0.11 0.00 1.01 -0.96 -2.58 120.40 116.36 1wa9 s VAL 243 Ca 0.15 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 61.91 1wa9 s VAL 243 Cb 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1wa9 s VAL 243 CO -0.05 0.22 -0.27 -0.63 0.00 0.00 0.00 175.10 174.37 1wa9 s ILE 244 N 0.15 2.23 -0.21 2.22 1.01 0.33 -0.36 121.20 126.58 1wa9 s ILE 244 Ca -0.02 -1.67 -0.16 0.00 0.00 0.00 0.00 60.65 58.80 1wa9 s ILE 244 Cb -0.07 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1wa9 s ILE 244 CO 0.00 0.15 0.41 -0.94 0.00 0.00 0.00 174.94 174.56 1wa9 s SER 245 N -1.87 6.43 0.00 3.58 1.04 -1.00 -0.22 113.70 121.66 1wa9 s SER 245 Ca 0.13 0.51 0.18 0.00 0.48 0.00 0.00 55.95 57.25 1wa9 s SER 245 Cb -0.10 -2.24 1.00 0.00 0.10 0.00 0.00 66.02 64.78 1wa9 s SER 245 CO 0.05 -0.10 1.48 0.23 0.98 0.00 0.00 173.24 175.88 1wa9 n MET 246 N 4.60 0.45 0.03 4.02 0.00 -0.91 -0.23 117.12 125.09 1wa9 n MET 246 Ca -0.08 0.04 -0.12 0.00 0.00 0.00 0.00 57.70 57.54 1wa9 n MET 246 Cb 0.51 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.14 1wa9 n MET 246 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1wa9 h HIS 247 N 0.00 -0.12 0.00 2.03 -0.00 -1.91 -3.40 115.15 111.75 1wa9 h HIS 247 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1wa9 h HIS 247 Cb 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1wa9 h HIS 247 CO 0.00 0.35 0.00 -0.40 -0.00 0.00 0.00 177.93 177.88 1wa9 n ASP 248 N -4.91 0.72 -0.45 3.26 3.85 -1.16 -5.01 116.55 112.85 1wa9 n ASP 248 Ca -0.08 -1.21 -0.06 0.00 -0.71 0.00 0.00 54.79 52.73 1wa9 n ASP 248 Cb 0.27 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.01 1wa9 n ASP 248 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wa9 n GLY 249 N -0.10 0.77 3.81 6.12 0.00 0.69 -4.92 105.19 111.56 1wa9 n GLY 249 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1wa9 n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wa9 s ILE 250 N -1.99 4.46 -0.19 -0.61 1.09 -1.25 -2.42 121.20 120.30 1wa9 s ILE 250 Ca 0.00 1.41 -0.29 0.00 -1.10 0.00 0.00 60.65 60.67 1wa9 s ILE 250 Cb 0.00 -3.84 -0.01 0.00 -1.06 0.00 0.00 42.46 37.56 1wa9 s ILE 250 CO 0.00 0.07 1.21 -0.69 -0.10 0.00 0.00 174.94 175.43 1wa9 s VAL 251 N -1.69 4.38 -0.56 2.92 1.01 -0.16 -2.38 120.40 123.92 1wa9 s VAL 251 Ca 0.49 1.66 0.22 0.00 0.00 0.00 0.00 61.98 64.35 1wa9 s VAL 251 Cb -0.15 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.91 1wa9 s VAL 251 CO 0.20 -0.16 0.81 0.18 0.00 0.00 0.00 175.10 176.13 1wa9 n LEU 252 N 6.57 0.56 -3.69 3.92 4.32 0.52 -0.96 117.00 128.23 1wa9 n LEU 252 Ca 0.13 -0.18 -0.05 0.00 -0.02 0.00 0.00 56.01 55.89 1wa9 n LEU 252 Cb 0.45 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.21 1wa9 n LEU 252 CO 0.55 0.10 0.69 -0.47 -1.22 0.00 0.00 177.39 177.05 1wa9 s TYR 253 N -3.23 -0.19 -0.29 -1.77 6.14 -1.20 -4.95 117.35 111.85 1wa9 s TYR 253 Ca 0.01 -0.08 -0.15 0.00 0.64 0.00 0.00 57.07 57.49 1wa9 s TYR 253 Cb 0.15 0.62 0.15 0.00 0.42 0.00 0.00 41.96 43.29 1wa9 s TYR 253 CO 0.86 -0.78 0.95 -0.08 0.64 0.00 0.00 175.55 177.13 1wa9 s THR 254 N -3.29 -0.17 0.65 4.34 -1.32 -1.26 -2.27 115.64 112.32 1wa9 s THR 254 Ca 0.10 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.41 1wa9 s THR 254 Cb -0.01 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1wa9 s THR 254 CO -0.01 0.00 0.74 1.07 -2.21 0.00 0.00 174.62 174.21 1wa9 n THR 255 N 4.13 2.73 0.27 5.08 5.66 -1.02 -4.87 114.28 126.26 1wa9 n THR 255 Ca -0.16 -0.45 0.11 0.00 -3.05 0.00 0.00 64.05 60.50 1wa9 n THR 255 Cb 0.56 -0.91 0.74 0.00 -1.55 0.00 0.00 70.33 69.17 1wa9 n THR 255 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1wa9 h PRO 256 N 0.06 0.00 -0.81 1.09 0.13 -1.93 -2.71 132.00 127.84 1wa9 h PRO 256 Ca -0.47 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1wa9 h PRO 256 Cb 1.37 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 1wa9 h PRO 256 CO 0.47 0.07 0.53 0.77 -0.23 0.00 0.00 178.00 179.60 1wa9 h SER 257 N 0.00 0.71 -0.76 1.44 0.02 -1.89 -2.96 113.55 110.11 1wa9 h SER 257 Ca -0.00 0.01 0.30 0.00 -0.84 0.00 0.00 61.79 61.26 1wa9 h SER 257 Cb 0.15 -0.14 -0.11 0.00 0.14 0.00 0.00 62.40 62.44 1wa9 h SER 257 CO 0.01 0.44 0.45 0.00 -1.14 0.00 0.00 176.83 176.58 1wa9 n ILE 258 N -4.50 -0.24 0.04 3.27 0.00 -1.02 0.23 119.36 117.14 1wa9 n ILE 258 Ca 0.13 1.30 -0.13 0.00 0.00 0.00 0.00 62.75 64.06 1wa9 n ILE 258 Cb 0.28 -2.13 -0.09 0.00 0.00 0.00 0.00 39.64 37.71 1wa9 n ILE 258 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wa9 h THR 259 N 0.00 1.15 0.00 9.51 2.02 -1.28 -2.43 112.91 121.87 1wa9 h THR 259 Ca 0.58 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1wa9 h THR 259 Cb 1.65 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1wa9 h THR 259 CO -0.44 0.22 0.00 0.47 0.37 0.00 0.00 175.52 176.14 1wa9 n ASP 260 N -4.94 0.00 -0.00 4.18 8.00 0.64 0.17 116.55 124.59 1wa9 n ASP 260 Ca -0.08 0.59 -0.11 0.00 0.71 0.00 0.00 54.79 55.90 1wa9 n ASP 260 Cb 0.24 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1wa9 n ASP 260 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1wa9 h VAL 261 N 0.00 1.06 0.00 2.53 -1.51 -1.63 -3.35 116.25 113.35 1wa9 h VAL 261 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1wa9 h VAL 261 Cb 0.00 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1wa9 h VAL 261 CO 0.00 0.06 -1.81 -0.11 -1.23 0.00 0.00 177.57 174.48 1wa9 n LEU 262 N -4.99 0.12 0.00 4.19 7.94 -0.95 -5.04 117.00 118.27 1wa9 n LEU 262 Ca -0.05 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1wa9 n LEU 262 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1wa9 n LEU 262 CO 0.34 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 1wa9 n GLY 263 N 1.36 0.83 3.65 -3.96 0.00 0.13 -3.25 105.19 103.95 1wa9 n GLY 263 Ca -0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 2.95 0.51 1.61 1.51 -1.23 -4.38 117.35 116.33 1wa9 s TYR 264 Ca 0.00 -0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 55.83 1wa9 s TYR 264 Cb 0.00 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.21 1wa9 s TYR 264 CO 0.00 0.44 1.11 -1.25 -1.11 0.00 0.00 175.55 174.74 1wa9 s PRO 265 N -1.92 3.56 0.47 -1.71 0.04 -1.26 -2.36 135.00 131.82 1wa9 s PRO 265 Ca 0.22 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.87 1wa9 s PRO 265 Cb -0.11 -2.10 0.16 0.00 0.04 0.00 0.00 34.50 32.48 1wa9 s PRO 265 CO 0.13 -0.67 0.78 2.89 0.04 0.00 0.00 177.00 180.17 1wa9 n ARG 266 N -1.05 0.02 0.00 4.56 1.85 -1.26 -0.52 116.66 120.26 1wa9 n ARG 266 Ca 0.10 0.70 0.00 0.00 -1.00 0.00 0.00 57.85 57.65 1wa9 n ARG 266 Cb 0.51 -1.86 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 1wa9 n ARG 266 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1wa9 n ASP 267 N -2.14 0.66 -0.32 2.89 10.43 -1.26 -4.82 116.55 121.99 1wa9 n ASP 267 Ca 0.04 -1.16 0.15 0.00 2.57 0.00 0.00 54.79 56.39 1wa9 n ASP 267 Cb 0.82 0.00 0.39 0.00 1.84 0.00 0.00 41.12 44.17 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 0.00 0.63 0.16 -1.24 4.05 -1.16 -2.93 114.93 114.44 1wa9 h MET 268 Ca 0.00 -0.04 -0.29 0.00 -0.28 0.00 0.00 59.70 59.09 1wa9 h MET 268 Cb 0.42 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1wa9 h MET 268 CO 0.00 0.42 -1.44 -1.49 0.23 0.00 0.00 176.91 174.62 1wa9 h TRP 269 N 0.65 0.60 -0.79 1.39 4.06 -1.88 -3.47 115.95 116.50 1wa9 h TRP 269 Ca 0.55 -0.44 -0.63 0.00 2.06 0.00 0.00 58.89 60.43 1wa9 h TRP 269 Cb 1.01 -0.02 0.04 0.00 -1.00 0.00 0.00 29.16 29.19 1wa9 h TRP 269 CO -0.00 1.56 0.10 1.28 -3.56 0.00 0.00 178.44 177.82 1wa9 n LEU 270 N -3.83 0.10 0.00 -4.49 4.77 -1.11 0.47 117.00 112.91 1wa9 n LEU 270 Ca -0.23 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1wa9 n LEU 270 Cb 0.96 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1wa9 n LEU 270 CO 0.47 -1.42 0.00 0.61 -1.33 0.00 0.00 177.39 175.73 1wa9 n GLY 271 N 1.42 0.72 3.67 -0.72 0.00 -0.14 -4.94 105.19 105.19 1wa9 n GLY 271 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.25 2.45 -1.03 1.61 0.52 0.18 -4.77 118.95 117.65 1wa9 s ARG 272 Ca 0.00 -0.93 -0.24 0.00 -0.52 0.00 0.00 55.73 54.04 1wa9 s ARG 272 Cb 0.00 -2.46 -0.06 0.00 0.52 0.00 0.00 34.95 32.95 1wa9 s ARG 272 CO 0.00 0.51 1.94 0.45 0.02 0.00 0.00 175.30 178.22 1wa9 s SER 273 N -2.45 5.11 0.27 0.23 0.15 -1.26 -0.98 113.70 114.77 1wa9 s SER 273 Ca 0.25 -1.13 0.23 0.00 0.70 0.00 0.00 55.95 56.00 1wa9 s SER 273 Cb -0.11 -2.57 0.86 0.00 -1.71 0.00 0.00 66.02 62.49 1wa9 s SER 273 CO 0.18 -2.87 0.83 0.33 1.20 0.00 0.00 173.24 172.90 1wa9 n PHE 274 N 14.09 0.17 0.27 3.44 -0.00 -1.02 0.04 117.46 134.45 1wa9 n PHE 274 Ca 0.42 0.17 0.13 0.00 -0.00 0.00 0.00 57.45 58.17 1wa9 n PHE 274 Cb 0.47 -0.49 0.74 0.00 -0.00 0.00 0.00 39.48 40.20 1wa9 n PHE 274 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1wa9 h ILE 275 N 0.00 0.57 0.00 -2.13 6.09 -1.88 -2.54 117.51 117.62 1wa9 h ILE 275 Ca 0.49 -0.48 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1wa9 h ILE 275 Cb 1.78 1.31 -0.00 0.00 0.47 0.00 0.00 36.82 40.38 1wa9 h ILE 275 CO -0.12 0.10 -0.01 0.44 -3.07 0.00 0.00 178.15 175.50 1wa9 h ASP 276 N 0.00 0.00 -0.31 2.19 3.32 -0.79 -2.92 116.42 117.92 1wa9 h ASP 276 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wa9 h ASP 276 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1wa9 h ASP 276 CO 0.01 0.01 0.00 0.49 -1.72 0.00 0.00 179.24 178.03 1wa9 n PHE 277 N -3.11 0.61 -4.81 4.55 0.99 -0.96 -4.81 117.46 109.93 1wa9 n PHE 277 Ca -0.00 -0.26 -0.27 0.00 -0.00 0.00 0.00 57.45 56.92 1wa9 n PHE 277 Cb 0.25 -0.10 -0.17 0.00 -1.00 0.00 0.00 39.48 38.47 1wa9 n PHE 277 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1wa9 s VAL 278 N -1.63 1.46 0.06 -4.37 0.11 -1.10 -1.90 120.40 113.02 1wa9 s VAL 278 Ca 0.23 -0.67 -0.37 0.00 -2.93 0.00 0.00 61.98 58.24 1wa9 s VAL 278 Cb 0.14 -1.30 -0.19 0.00 -1.53 0.00 0.00 36.38 33.51 1wa9 s VAL 278 CO 0.12 0.43 0.98 1.57 -3.33 0.00 0.00 175.10 174.87 1wa9 n HIS 279 N 3.70 0.52 -0.38 1.54 -0.00 0.25 -4.69 115.22 116.16 1wa9 n HIS 279 Ca -0.21 0.98 -0.01 0.00 0.46 0.00 0.00 57.72 58.93 1wa9 n HIS 279 Cb 0.52 -2.10 0.04 0.00 -0.12 0.00 0.00 29.99 28.33 1wa9 n HIS 279 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1wa9 n LEU 280 N 1.72 -0.65 -0.12 0.27 7.94 -1.26 -0.35 117.00 124.55 1wa9 n LEU 280 Ca 0.19 1.72 0.00 0.00 -1.11 0.00 0.00 56.01 56.81 1wa9 n LEU 280 Cb 0.14 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1wa9 n LEU 280 CO 0.60 -1.54 0.01 2.29 -1.11 0.00 0.00 177.39 177.64 1wa9 n LYS 281 N -5.44 0.03 0.00 1.96 -0.00 -1.26 -1.90 118.16 111.55 1wa9 n LYS 281 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1wa9 n LYS 281 Cb 0.39 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.42 1wa9 n LYS 281 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wa9 n ASP 282 N -0.27 2.95 -0.31 -5.58 8.00 0.52 -4.77 116.55 117.09 1wa9 n ASP 282 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1wa9 n ASP 282 Cb 0.00 0.49 0.33 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.00 0.22 0.00 -1.24 -0.00 -1.34 0.78 114.38 112.81 1wa9 h ARG 283 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1wa9 h ARG 283 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1wa9 h ARG 283 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 179.97 180.12 1wa9 n ALA 284 N -2.63 -0.11 -0.33 0.04 0.00 -1.26 0.21 120.51 116.43 1wa9 n ALA 284 Ca 0.24 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.91 1wa9 n ALA 284 Cb 0.75 0.26 0.45 0.00 0.00 0.00 0.00 19.45 20.91 1wa9 n ALA 284 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wa9 h THR 285 N 0.00 0.06 0.00 0.00 2.02 -1.50 0.34 112.91 113.83 1wa9 h THR 285 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1wa9 h THR 285 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1wa9 h THR 285 CO 0.00 0.01 0.00 0.33 0.37 0.00 0.00 175.52 176.23 1wa9 n PHE 286 N -5.32 0.00 -0.33 3.16 -0.00 0.13 -1.34 117.46 113.76 1wa9 n PHE 286 Ca 0.31 0.00 0.25 0.00 -0.00 0.00 0.00 57.45 58.00 1wa9 n PHE 286 Cb 1.02 -0.24 0.47 0.00 -0.00 0.00 0.00 39.48 40.72 1wa9 n PHE 286 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1wa9 h ALA 287 N -2.00 1.78 0.35 3.13 0.00 0.28 0.86 119.26 123.65 1wa9 h ALA 287 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1wa9 h ALA 287 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wa9 h ALA 287 CO 0.00 -0.78 -0.20 0.77 0.00 0.00 0.00 179.25 179.04 1wa9 h SER 288 N 0.03 -0.49 0.00 0.00 0.02 -0.96 0.21 113.55 112.36 1wa9 h SER 288 Ca 0.75 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.72 1wa9 h SER 288 Cb 1.82 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1wa9 h SER 288 CO -0.81 -0.32 0.20 0.00 -1.14 0.00 0.00 176.83 174.75 1wa9 n GLN 289 N -5.33 0.08 0.00 3.45 1.13 0.29 -2.57 117.38 114.43 1wa9 n GLN 289 Ca -0.10 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1wa9 n GLN 289 Cb 0.24 -1.96 0.00 0.00 0.11 0.00 0.00 30.24 28.63 1wa9 n GLN 289 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1wa9 n ILE 290 N -1.93 0.00 0.21 5.09 2.08 0.55 -3.19 119.36 122.17 1wa9 n ILE 290 Ca -0.01 0.41 0.02 0.00 0.56 0.00 0.00 62.75 63.73 1wa9 n ILE 290 Cb 0.22 -1.31 0.09 0.00 -0.75 0.00 0.00 39.64 37.88 1wa9 n ILE 290 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1wa9 h THR 291 N 0.00 0.00 0.00 1.39 1.35 -0.73 -0.28 112.91 114.64 1wa9 h THR 291 Ca 0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.42 1wa9 h THR 291 Cb 0.00 0.07 -0.07 0.00 -1.73 0.00 0.00 68.15 66.42 1wa9 h THR 291 CO 0.00 0.00 -2.47 0.35 -0.25 0.00 0.00 175.52 173.15 1wa9 n THR 292 N -2.03 1.49 1.32 6.82 -2.24 -1.10 -4.45 114.28 114.09 1wa9 n THR 292 Ca -0.00 -0.36 0.03 0.00 -2.27 0.00 0.00 64.05 61.44 1wa9 n THR 292 Cb 0.74 -1.88 0.15 0.00 -2.10 0.00 0.00 70.33 67.24 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 1.31 -0.66 3.83 3.38 0.00 -0.17 -4.77 105.19 108.10 1wa9 n GLY 293 Ca -0.52 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1wa9 n GLY 293 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wa9 s ILE 294 N -2.00 5.44 0.00 -0.61 2.07 -0.84 -4.89 121.20 120.38 1wa9 s ILE 294 Ca 0.08 0.26 -0.00 0.00 -1.41 0.00 0.00 60.65 59.58 1wa9 s ILE 294 Cb 0.04 -3.45 -0.01 0.00 0.13 0.00 0.00 42.46 39.17 1wa9 s ILE 294 CO 0.06 0.55 0.43 -2.65 -1.91 0.00 0.00 174.94 171.43 1wa9 n PRO 295 N 2.51 0.19 -0.56 3.50 -0.02 -1.26 -5.02 135.00 134.34 1wa9 n PRO 295 Ca -0.18 -0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.33 1wa9 n PRO 295 Cb 0.54 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 1wa9 n PRO 295 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wa9 n SER 309 N 2.05 -3.02 -4.82 2.55 2.88 -1.26 -5.21 113.62 106.79 1wa9 n SER 309 Ca 0.01 0.59 -0.22 0.00 -1.33 0.00 0.00 58.87 57.92 1wa9 n SER 309 Cb 0.09 -1.78 -0.05 0.00 -0.75 0.00 0.00 64.21 61.73 1wa9 n SER 309 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1wa9 s THR 310 N -3.71 2.62 0.15 2.46 -4.23 -1.26 -4.56 115.64 107.10 1wa9 s THR 310 Ca 0.00 -1.47 -0.21 0.00 -1.18 0.00 0.00 61.69 58.82 1wa9 s THR 310 Cb 0.00 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.89 1wa9 s THR 310 CO 0.00 -0.02 0.55 0.72 -0.54 0.00 0.00 174.62 175.33 1wa9 s PHE 311 N -2.50 -0.46 0.10 3.99 -0.71 -1.04 -5.00 117.98 112.36 1wa9 s PHE 311 Ca 0.45 0.24 0.04 0.00 -1.04 0.00 0.00 56.93 56.62 1wa9 s PHE 311 Cb -0.01 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1wa9 s PHE 311 CO 0.26 -0.81 0.04 0.00 -1.34 0.00 0.00 175.22 173.37 1wa9 s VAL 313 N -1.40 0.02 -0.27 0.00 -7.23 -0.53 -4.93 120.40 106.06 1wa9 s VAL 313 Ca 0.27 -1.27 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 1wa9 s VAL 313 Cb -0.12 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1wa9 s VAL 313 CO 0.20 -0.09 0.11 -0.32 -0.31 0.00 0.00 175.10 174.70 1wa9 s MET 314 N -3.98 3.62 0.10 4.82 1.75 -1.26 -1.71 119.30 122.64 1wa9 s MET 314 Ca 0.19 -0.51 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1wa9 s MET 314 Cb 0.00 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.18 1wa9 s MET 314 CO 0.05 -0.25 0.16 -0.51 -0.65 0.00 0.00 175.02 173.82 1wa9 s LEU 315 N 1.64 4.05 -0.05 4.11 1.02 -1.14 0.85 118.68 129.16 1wa9 s LEU 315 Ca 0.06 0.08 -0.20 0.00 0.02 0.00 0.00 54.13 54.09 1wa9 s LEU 315 Cb -0.16 -2.68 -0.05 0.00 0.02 0.00 0.00 46.19 43.33 1wa9 s LEU 315 CO 0.06 0.14 0.56 -0.60 0.02 0.00 0.00 176.35 176.52 1wa9 s ARG 316 N -2.66 4.31 0.53 1.70 3.52 -0.80 -0.56 118.95 125.00 1wa9 s ARG 316 Ca 0.32 0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 56.51 1wa9 s ARG 316 Cb -0.12 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1wa9 s ARG 316 CO 0.25 0.29 0.83 1.03 -0.81 0.00 0.00 175.30 176.89 1wa9 s ARG 317 N 0.11 3.28 0.07 5.12 0.52 0.63 -4.96 118.95 123.73 1wa9 s ARG 317 Ca 0.30 0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 1wa9 s ARG 317 Cb -0.17 -2.34 -0.08 0.00 0.52 0.00 0.00 34.95 32.88 1wa9 s ARG 317 CO 0.15 -0.41 1.67 -0.47 0.02 0.00 0.00 175.30 176.26 1wa9 s TYR 318 N -2.84 2.39 -0.98 -0.53 6.14 -1.20 -4.67 117.35 115.66 1wa9 s TYR 318 Ca 0.50 0.28 -0.23 0.00 0.64 0.00 0.00 57.07 58.26 1wa9 s TYR 318 Cb -0.10 -3.99 0.03 0.00 0.42 0.00 0.00 41.96 38.32 1wa9 s TYR 318 CO 0.45 -3.97 1.55 1.03 0.64 0.00 0.00 175.55 175.24 1wa9 s ARG 319 N 2.66 3.36 0.00 4.97 0.52 -1.26 -4.95 118.95 124.24 1wa9 s ARG 319 Ca 0.75 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1wa9 s ARG 319 Cb -0.40 -5.25 0.00 0.00 0.52 0.00 0.00 34.95 29.81 1wa9 s ARG 319 CO 0.33 -2.44 0.00 0.41 0.02 0.00 0.00 175.30 173.61 1wa9 n GLY 320 N 6.82 0.07 3.30 -3.53 0.00 -1.26 -5.12 105.19 105.47 1wa9 n GLY 320 Ca 0.33 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 45.03 1wa9 n GLY 320 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wa9 s LEU 321 N 0.00 -0.19 -0.14 0.99 2.34 -1.26 -5.10 118.68 115.32 1wa9 s LEU 321 Ca 0.00 0.26 0.02 0.00 0.06 0.00 0.00 54.13 54.48 1wa9 s LEU 321 Cb 0.00 1.22 -0.10 0.00 -0.56 0.00 0.00 46.19 46.75 1wa9 s LEU 321 CO 0.00 -0.04 -0.11 0.29 -1.06 0.00 0.00 176.35 175.44 1wa9 n LYS 322 N 4.42 0.59 0.00 1.48 4.01 -1.26 -5.34 118.16 122.06 1wa9 n LYS 322 Ca -0.09 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1wa9 n LYS 322 Cb 0.55 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 1wa9 n LYS 322 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1wa9 n PRO 332 N -2.85 0.00 -3.77 1.97 -0.04 -1.26 -5.39 135.00 123.65 1wa9 n PRO 332 Ca -0.24 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 1wa9 n PRO 332 Cb 0.78 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.12 1wa9 n PRO 332 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wa9 s VAL 333 N 0.00 -0.01 0.01 0.52 -7.23 -1.26 -4.95 120.40 107.48 1wa9 s VAL 333 Ca 0.00 0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.29 1wa9 s VAL 333 Cb 0.00 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.57 1wa9 s VAL 333 CO 0.00 0.02 -0.24 -0.55 -0.31 0.00 0.00 175.10 174.02 1wa9 s SER 334 N 0.45 2.84 -0.01 4.85 0.15 -1.26 -5.05 113.70 115.67 1wa9 s SER 334 Ca -0.03 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.18 1wa9 s SER 334 Cb -0.04 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1wa9 s SER 334 CO -0.02 0.27 -0.14 -0.31 1.20 0.00 0.00 173.24 174.24 1wa9 s TYR 335 N -0.65 1.26 -0.03 3.44 2.02 -1.25 -0.26 117.35 121.86 1wa9 s TYR 335 Ca 0.10 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 1wa9 s TYR 335 Cb -0.09 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1wa9 s TYR 335 CO 0.00 -0.03 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.68 1wa9 s GLU 336 N -0.27 0.84 0.03 -0.62 2.02 0.28 -4.88 118.70 116.09 1wa9 s GLU 336 Ca 0.04 -0.18 -0.35 0.00 0.02 0.00 0.00 54.97 54.50 1wa9 s GLU 336 Cb -0.06 -0.81 -0.14 0.00 0.10 0.00 0.00 34.13 33.22 1wa9 s GLU 336 CO -0.00 0.00 1.61 -0.35 0.02 0.00 0.00 175.26 176.54 1wa9 n PRO 337 N 3.68 1.79 -4.21 0.39 -0.04 -1.26 -2.87 135.00 132.47 1wa9 n PRO 337 Ca -0.22 0.65 -0.17 0.00 -0.04 0.00 0.00 63.50 63.72 1wa9 n PRO 337 Cb 0.53 -2.39 -0.13 0.00 -0.04 0.00 0.00 33.50 31.47 1wa9 n PRO 337 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wa9 s PHE 338 N 1.87 0.95 -0.41 0.54 0.40 -0.70 -2.26 117.98 118.38 1wa9 s PHE 338 Ca 0.86 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.74 1wa9 s PHE 338 Cb -0.80 -0.56 0.08 0.00 0.51 0.00 0.00 43.02 42.25 1wa9 s PHE 338 CO 0.47 -0.00 0.23 0.50 0.70 0.00 0.00 175.22 177.11 1wa9 s ARG 339 N -1.21 2.49 0.46 0.44 6.06 -0.40 -1.45 118.95 125.34 1wa9 s ARG 339 Ca -0.02 -1.50 -0.13 0.00 -2.50 0.00 0.00 55.73 51.58 1wa9 s ARG 339 Cb -0.08 -3.69 -0.07 0.00 0.06 0.00 0.00 34.95 31.17 1wa9 s ARG 339 CO 0.01 -0.94 0.87 -0.51 -2.50 0.00 0.00 175.30 172.23 1wa9 s LEU 340 N 1.36 3.71 -0.50 -0.88 1.43 0.64 -2.82 118.68 121.62 1wa9 s LEU 340 Ca 0.03 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1wa9 s LEU 340 Cb -0.23 -4.24 0.18 0.00 0.03 0.00 0.00 46.19 41.94 1wa9 s LEU 340 CO 0.01 -0.51 0.43 0.61 0.23 0.00 0.00 176.35 177.12 1wa9 n GLY 341 N -1.51 2.86 3.68 -3.19 0.00 -1.23 -2.51 105.19 103.30 1wa9 n GLY 341 Ca 0.04 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1wa9 n GLY 341 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wa9 n LEU 342 N 2.32 3.30 -3.41 0.99 4.32 -1.26 -3.41 117.00 119.84 1wa9 n LEU 342 Ca 0.26 1.18 -0.15 0.00 -0.02 0.00 0.00 56.01 57.28 1wa9 n LEU 342 Cb 0.45 -1.45 -0.10 0.00 -1.62 0.00 0.00 43.42 40.69 1wa9 n LEU 342 CO 0.16 -0.52 -0.15 -0.89 -1.22 0.00 0.00 177.39 174.77 1wa9 s THR 343 N -0.67 -0.44 0.06 -5.08 2.01 -1.14 -4.87 115.64 105.51 1wa9 s THR 343 Ca 0.61 -0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.08 1wa9 s THR 343 Cb -0.60 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 1wa9 s THR 343 CO 0.57 -0.30 0.79 -0.36 -0.69 0.00 0.00 174.62 174.64 1wa9 s PHE 344 N 2.41 3.76 -0.03 4.92 0.40 -1.26 -0.80 117.98 127.38 1wa9 s PHE 344 Ca 0.09 1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 57.89 1wa9 s PHE 344 Cb -0.15 -2.85 0.01 0.00 0.51 0.00 0.00 43.02 40.55 1wa9 s PHE 344 CO -0.22 0.29 0.15 1.03 0.70 0.00 0.00 175.22 177.16 1wa9 s ARG 345 N -0.14 0.33 0.29 0.44 1.81 -0.47 -4.96 118.95 116.25 1wa9 s ARG 345 Ca 0.39 -0.06 -0.08 0.00 -1.72 0.00 0.00 55.73 54.26 1wa9 s ARG 345 Cb -0.21 0.14 -0.06 0.00 -0.45 0.00 0.00 34.95 34.37 1wa9 s ARG 345 CO 0.24 -0.07 0.59 -2.00 -0.68 0.00 0.00 175.30 173.38 1wa9 s GLU 346 N -0.60 3.72 0.10 3.54 2.12 -1.26 -0.85 118.70 125.46 1wa9 s GLU 346 Ca -0.07 0.18 -0.16 0.00 0.36 0.00 0.00 54.97 55.28 1wa9 s GLU 346 Cb -0.04 -2.60 -0.07 0.00 0.26 0.00 0.00 34.13 31.68 1wa9 s GLU 346 CO 0.01 0.21 0.54 0.00 -0.54 0.00 0.00 175.26 175.48 1wa9 s ALA 347 N -2.04 3.60 0.53 6.30 0.00 -1.21 -4.95 121.76 124.00 1wa9 s ALA 347 Ca 0.46 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 1wa9 s ALA 347 Cb -0.11 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 1wa9 s ALA 347 CO 0.27 0.43 1.09 -1.25 0.00 0.00 0.00 175.76 176.30 1wa9 s PRO 348 N -1.50 3.50 0.22 0.00 0.04 -1.26 -4.85 135.00 131.15 1wa9 s PRO 348 Ca 0.32 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1wa9 s PRO 348 Cb -0.17 -2.04 0.23 0.00 0.04 0.00 0.00 34.50 32.56 1wa9 s PRO 348 CO 0.18 -0.70 1.57 1.49 0.04 0.00 0.00 177.00 179.59 1wa9 h GLU 349 N 1.21 -0.06 0.00 4.56 4.81 -1.97 0.21 114.58 123.34 1wa9 h GLU 349 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wa9 h GLU 349 Cb 1.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1wa9 h GLU 349 CO 0.58 -0.04 0.11 0.39 -0.73 0.00 0.00 179.01 179.31 1wa9 n GLU 350 N -5.48 0.00 0.00 1.92 4.71 -1.26 -0.44 120.64 120.09 1wa9 n GLU 350 Ca 0.09 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1wa9 n GLU 350 Cb 0.39 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1wa9 n GLU 350 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wa9 n ALA 351 N -1.10 1.88 -2.71 0.62 0.00 0.72 -5.03 120.51 114.89 1wa9 n ALA 351 Ca 0.00 -0.82 -0.37 0.00 0.00 0.00 0.00 53.44 52.25 1wa9 n ALA 351 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1wa9 n ALA 351 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wa9 s ARG 352 N -0.67 4.13 1.32 0.00 0.52 0.42 -4.92 118.95 119.75 1wa9 s ARG 352 Ca 0.00 0.13 -0.18 0.00 -0.52 0.00 0.00 55.73 55.15 1wa9 s ARG 352 Cb 0.00 -3.37 0.34 0.00 0.52 0.00 0.00 34.95 32.43 1wa9 s ARG 352 CO 0.00 0.35 0.97 -1.25 0.02 0.00 0.00 175.30 175.39 1wa9 s PRO 353 N 0.11 -2.14 0.00 3.54 0.04 -1.26 -4.87 135.00 130.41 1wa9 s PRO 353 Ca 0.18 0.43 0.27 0.00 0.04 0.00 0.00 61.00 61.91 1wa9 s PRO 353 Cb -0.13 -1.44 1.15 0.00 0.04 0.00 0.00 34.50 34.11 1wa9 s PRO 353 CO 0.05 -4.43 1.86 -0.25 0.04 0.00 0.00 177.00 174.27 1wa9 n ASP 354 N -5.36 0.00 -0.03 6.66 10.43 -1.26 -2.92 116.55 124.07 1wa9 n ASP 354 Ca 0.08 0.48 0.13 0.00 2.57 0.00 0.00 54.79 58.05 1wa9 n ASP 354 Cb 0.58 -0.49 0.42 0.00 1.84 0.00 0.00 41.12 43.46 1wa9 n ASP 354 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1wa9 n ASN 355 N -1.49 0.39 -0.31 -2.24 6.94 -1.26 -3.59 115.26 113.69 1wa9 n ASN 355 Ca 0.07 -0.13 0.03 0.00 -0.02 0.00 0.00 54.58 54.53 1wa9 n ASN 355 Cb 0.31 -0.02 0.06 0.00 -2.36 0.00 0.00 39.78 37.77 1wa9 n ASN 355 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1wa9 n TYR 356 N -1.36 0.17 -0.10 -2.53 4.01 -1.15 -4.48 117.16 111.72 1wa9 n TYR 356 Ca 0.08 -0.34 -0.11 0.00 -0.16 0.00 0.00 57.90 57.37 1wa9 n TYR 356 Cb 0.33 -0.03 -0.15 0.00 -0.31 0.00 0.00 39.34 39.18 1wa9 n TYR 356 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1wa9 n MET 357 N 0.13 0.68 -0.00 -0.72 2.81 -1.21 -4.36 117.12 114.45 1wa9 n MET 357 Ca 0.05 0.03 0.15 0.00 -1.81 0.00 0.00 57.70 56.13 1wa9 n MET 357 Cb 0.28 -1.54 0.89 0.00 -0.71 0.00 0.00 33.22 32.14 1wa9 n MET 357 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1wa9 n VAL 358 N -2.84 0.00 -4.23 2.03 0.24 -1.25 -4.90 118.33 107.38 1wa9 n VAL 358 Ca -0.33 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 1wa9 n VAL 358 Cb 1.13 -0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 1wa9 n VAL 358 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wa9 s SER 359 N -1.97 0.80 0.00 -1.34 1.04 -1.26 -5.00 113.70 105.96 1wa9 s SER 359 Ca 0.46 -1.28 0.18 0.00 0.48 0.00 0.00 55.95 55.79 1wa9 s SER 359 Cb 0.21 0.22 0.80 0.00 0.10 0.00 0.00 66.02 67.36 1wa9 s SER 359 CO 0.36 -0.70 1.58 0.59 0.98 0.00 0.00 173.24 176.04 1wa9 n ASN 360 N -0.27 0.00 -3.80 7.02 4.13 -1.26 -4.85 115.26 116.22 1wa9 n ASN 360 Ca -0.03 0.41 -0.21 0.00 1.68 0.00 0.00 54.58 56.43 1wa9 n ASN 360 Cb 0.65 -0.46 0.11 0.00 -1.54 0.00 0.00 39.78 38.54 1wa9 n ASN 360 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa9 n GLY 361 N 0.35 -2.33 3.01 7.41 0.00 -1.26 -5.04 105.19 107.33 1wa9 n GLY 361 Ca 0.05 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.08 0.73 -0.93 2.61 -1.32 -1.26 -5.04 115.64 108.35 1wa9 s THR 362 Ca 0.34 -0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 60.32 1wa9 s THR 362 Cb -0.04 -0.63 0.24 0.00 -1.51 0.00 0.00 72.50 70.56 1wa9 s THR 362 CO 0.39 0.22 0.91 0.21 -2.21 0.00 0.00 174.62 174.13 1wa9 s ASN 363 N -0.07 6.96 0.28 8.08 3.04 -1.26 -5.02 114.94 126.95 1wa9 s ASN 363 Ca 0.01 -2.99 -0.28 0.00 0.04 0.00 0.00 52.86 49.64 1wa9 s ASN 363 Cb -0.05 -2.22 -0.09 0.00 -1.54 0.00 0.00 41.25 37.35 1wa9 s ASN 363 CO -0.00 -0.49 0.98 -0.04 -3.04 0.00 0.00 177.10 174.50 1wa9 s MET 364 N -0.23 4.69 -0.08 0.43 -1.94 -1.26 -3.30 119.30 117.60 1wa9 s MET 364 Ca 0.23 1.50 0.03 0.00 -1.71 0.00 0.00 55.69 55.74 1wa9 s MET 364 Cb -0.10 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.69 1wa9 s MET 364 CO -0.09 0.34 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.59 1wa9 s LEU 365 N -1.60 1.81 -0.15 -0.03 1.02 -0.03 -2.15 118.68 117.56 1wa9 s LEU 365 Ca 0.46 -0.41 -0.16 0.00 0.02 0.00 0.00 54.13 54.03 1wa9 s LEU 365 Cb -0.25 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.85 1wa9 s LEU 365 CO 0.31 0.07 0.39 -0.22 0.02 0.00 0.00 176.35 176.93 1wa9 s LEU 366 N 0.60 4.24 -0.82 1.79 0.20 0.70 -1.36 118.68 124.02 1wa9 s LEU 366 Ca -0.15 0.65 -0.03 0.00 0.69 0.00 0.00 54.13 55.28 1wa9 s LEU 366 Cb -0.16 -2.54 0.21 0.00 -0.43 0.00 0.00 46.19 43.26 1wa9 s LEU 366 CO 0.05 0.02 0.70 -0.69 -0.29 0.00 0.00 176.35 176.14 1wa9 s VAL 367 N 0.69 4.34 -0.42 1.68 1.01 0.02 -0.51 120.40 127.21 1wa9 s VAL 367 Ca 0.21 -3.50 -0.28 0.00 0.00 0.00 0.00 61.98 58.41 1wa9 s VAL 367 Cb -0.14 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1wa9 s VAL 367 CO 0.07 -1.03 1.04 -0.63 0.00 0.00 0.00 175.10 174.56 1wa9 s ILE 368 N -0.88 4.39 -1.11 2.22 1.01 -1.06 -2.87 121.20 122.90 1wa9 s ILE 368 Ca 0.24 1.24 -0.10 0.00 0.00 0.00 0.00 60.65 62.03 1wa9 s ILE 368 Cb -0.11 -4.48 0.27 0.00 0.01 0.00 0.00 42.46 38.15 1wa9 s ILE 368 CO -0.09 -0.77 1.13 0.00 0.00 0.00 0.00 174.94 175.20 1wa9 s ALA 370 N -1.05 2.82 -0.16 0.00 0.00 0.22 -3.50 121.76 120.08 1wa9 s ALA 370 Ca 0.31 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 1wa9 s ALA 370 Cb -0.10 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.59 1wa9 s ALA 370 CO -0.08 -1.17 0.35 0.99 0.00 0.00 0.00 175.76 175.85 1wa9 s THR 371 N -1.40 -0.44 0.69 0.00 2.01 -1.13 -1.38 115.64 113.99 1wa9 s THR 371 Ca 0.70 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.74 1wa9 s THR 371 Cb -0.36 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1wa9 s THR 371 CO 0.42 0.08 1.23 -2.84 -0.69 0.00 0.00 174.62 172.83 1wa9 s PRO 372 N 2.30 2.33 -0.26 4.92 0.02 -1.26 -1.27 135.00 141.78 1wa9 s PRO 372 Ca -0.02 1.85 0.01 0.00 0.02 0.00 0.00 61.00 62.86 1wa9 s PRO 372 Cb -0.11 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.63 1wa9 s PRO 372 CO -0.11 -1.71 -0.04 0.96 -0.33 0.00 0.00 177.00 175.77 1wa9 s ILE 373 N -1.79 1.70 0.33 2.83 -4.36 -0.96 -4.83 121.20 114.12 1wa9 s ILE 373 Ca 0.77 -1.46 -0.11 0.00 -0.26 0.00 0.00 60.65 59.59 1wa9 s ILE 373 Cb -0.31 -1.99 -0.07 0.00 1.25 0.00 0.00 42.46 41.33 1wa9 s ILE 373 CO 0.42 -0.19 0.69 -0.54 0.24 0.00 0.00 174.94 175.56 1wa9 s LYS 374 N 1.29 3.84 0.68 0.37 -0.14 -1.26 -4.83 119.74 119.68 1wa9 s LYS 374 Ca -0.03 0.44 -0.15 0.00 -1.36 0.00 0.00 55.97 54.87 1wa9 s LYS 374 Cb -0.19 -2.48 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 1wa9 s LYS 374 CO -0.08 0.12 1.13 0.45 -0.76 0.00 0.00 175.35 176.21 1wa9 s SER 375 N -2.72 4.90 0.00 2.83 0.15 -1.26 -4.83 113.70 112.77 1wa9 s SER 375 Ca 0.51 2.05 0.25 0.00 0.70 0.00 0.00 55.95 59.46 1wa9 s SER 375 Cb -0.10 -2.56 0.49 0.00 -1.71 0.00 0.00 66.02 62.14 1wa9 s SER 375 CO 0.25 -1.77 1.40 -0.24 1.20 0.00 0.00 173.24 174.07 1wa9 n SER 376 N -2.54 1.31 -4.55 5.45 2.88 -0.89 -4.81 113.62 110.47 1wa9 n SER 376 Ca 0.11 -1.06 -0.41 0.00 -1.33 0.00 0.00 58.87 56.17 1wa9 n SER 376 Cb 0.52 0.27 -0.08 0.00 -0.75 0.00 0.00 64.21 64.16 1wa9 n SER 376 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1wa9 s TYR 377 N -2.52 3.20 -0.12 0.66 1.51 -1.26 -4.90 117.35 113.91 1wa9 s TYR 377 Ca 0.22 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1wa9 s TYR 377 Cb 0.19 -2.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.18 1wa9 s TYR 377 CO 0.55 -0.48 -0.14 0.36 -1.11 0.00 0.00 175.55 174.73 1wa9 n LYS 378 N 5.58 0.25 -3.36 -0.62 2.85 -1.26 -4.80 118.16 116.80 1wa9 n LYS 378 Ca -0.07 0.10 -0.41 0.00 -1.05 0.00 0.00 58.31 56.89 1wa9 n LYS 378 Cb 0.49 -0.97 -0.09 0.00 -0.65 0.00 0.00 35.03 33.81 1wa9 n LYS 378 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1wa9 s VAL 379 N -2.21 5.13 0.11 0.58 -7.23 -1.26 -4.85 120.40 110.67 1wa9 s VAL 379 Ca -0.16 0.23 -0.35 0.00 -1.81 0.00 0.00 61.98 59.88 1wa9 s VAL 379 Cb 0.06 -3.83 -0.17 0.00 0.56 0.00 0.00 36.38 33.00 1wa9 s VAL 379 CO 0.21 -0.07 1.18 -2.65 -0.31 0.00 0.00 175.10 173.46 1wa9 n PRO 380 N 5.46 0.89 -3.47 4.82 -0.02 -1.26 -1.86 135.00 139.57 1wa9 n PRO 380 Ca -0.08 0.32 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 1wa9 n PRO 380 Cb 0.49 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.19 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 2.11 -6.16 -4.75 2.55 10.43 0.11 -4.94 116.55 115.89 1wa9 n ASP 381 Ca 0.17 -0.49 -0.40 0.00 2.57 0.00 0.00 54.79 56.64 1wa9 n ASP 381 Cb 0.20 -4.89 -0.04 0.00 1.84 0.00 0.00 41.12 38.22 1wa9 n ASP 381 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1wa9 s GLU 382 N -6.18 4.65 -0.55 -1.24 -1.05 -0.77 -4.45 118.70 109.11 1wa9 s GLU 382 Ca 0.52 1.74 0.07 0.00 -0.15 0.00 0.00 54.97 57.14 1wa9 s GLU 382 Cb -0.23 -3.23 0.31 0.00 -0.44 0.00 0.00 34.13 30.54 1wa9 s GLU 382 CO 0.64 0.20 0.82 1.51 0.95 0.00 0.00 175.26 179.38 1wa9 n ILE 383 N 1.61 2.05 -0.61 1.83 3.06 -1.26 0.69 119.36 126.74 1wa9 n ILE 383 Ca 0.00 -5.19 0.00 0.00 -2.50 0.00 0.00 62.75 55.06 1wa9 n ILE 383 Cb 0.45 -1.50 0.00 0.00 0.54 0.00 0.00 39.64 39.14 1wa9 n ILE 383 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1wa9 n LEU 384 N 0.31 0.00 0.00 9.51 7.99 -1.26 -4.99 117.00 128.55 1wa9 n LEU 384 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 1wa9 n LEU 384 Cb 0.45 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 1wa9 n LEU 384 CO 0.33 -0.15 0.00 -0.24 -1.51 0.00 0.00 177.39 175.81 1wa9 n SER 385 N -0.92 0.00 0.01 -1.43 2.88 -1.26 -4.82 113.62 108.08 1wa9 n SER 385 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1wa9 n SER 385 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1wa9 n SER 385 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wa9 n GLN 386 N 0.00 0.02 0.02 -1.46 1.13 -1.26 0.17 117.38 116.00 1wa9 n GLN 386 Ca 0.00 0.95 0.11 0.00 -1.94 0.00 0.00 57.00 56.12 1wa9 n GLN 386 Cb 0.00 -2.44 0.08 0.00 0.11 0.00 0.00 30.24 27.99 1wa9 n GLN 386 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wa9 n LYS 387 N -2.84 0.20 -2.18 -1.09 5.02 -1.26 -4.92 118.16 111.09 1wa9 n LYS 387 Ca 0.13 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.11 1wa9 n LYS 387 Cb 1.25 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 34.68 1wa9 n LYS 387 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wa9 s SER 388 N -3.69 6.26 0.07 4.39 0.15 0.44 -5.05 113.70 116.27 1wa9 s SER 388 Ca 0.06 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1wa9 s SER 388 Cb 0.15 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1wa9 s SER 388 CO 0.77 -0.84 0.21 -2.16 1.20 0.00 0.00 173.24 172.42 1wa9 s PRO 389 N -4.26 3.42 -0.22 5.44 0.04 -1.26 -4.98 135.00 133.17 1wa9 s PRO 389 Ca 0.60 -0.46 -0.07 0.00 0.04 0.00 0.00 61.00 61.11 1wa9 s PRO 389 Cb -0.12 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1wa9 s PRO 389 CO 0.37 0.60 0.05 0.15 0.04 0.00 0.00 177.00 178.21 1wa9 s LYS 390 N -2.55 3.71 -0.06 4.56 1.02 -1.26 -3.85 119.74 121.31 1wa9 s LYS 390 Ca 0.35 -0.46 -0.05 0.00 0.02 0.00 0.00 55.97 55.83 1wa9 s LYS 390 Cb -0.13 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1wa9 s LYS 390 CO 0.28 -0.02 0.15 -0.59 -0.92 0.00 0.00 175.35 174.25 1wa9 s PHE 391 N 1.15 -0.17 0.03 3.18 -0.12 -0.36 -4.93 117.98 116.76 1wa9 s PHE 391 Ca 0.04 0.43 -0.00 0.00 -0.05 0.00 0.00 56.93 57.35 1wa9 s PHE 391 Cb -0.14 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1wa9 s PHE 391 CO 0.03 -0.10 0.14 0.00 -0.05 0.00 0.00 175.22 175.24 1wa9 s ALA 392 N 0.28 3.78 0.02 1.99 0.00 -1.26 -0.96 121.76 125.61 1wa9 s ALA 392 Ca -0.02 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1wa9 s ALA 392 Cb -0.03 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1wa9 s ALA 392 CO -0.01 0.75 -0.16 0.42 0.00 0.00 0.00 175.76 176.76 1wa9 s ILE 393 N -1.34 1.26 -0.07 0.00 1.01 -0.16 -1.07 121.20 120.83 1wa9 s ILE 393 Ca 0.28 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1wa9 s ILE 393 Cb -0.12 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.27 1wa9 s ILE 393 CO 0.20 0.15 0.00 -0.60 0.00 0.00 0.00 174.94 174.69 1wa9 s ARG 394 N -0.91 0.57 0.11 2.79 3.52 -0.27 0.02 118.95 124.78 1wa9 s ARG 394 Ca 0.04 0.11 0.09 0.00 -0.13 0.00 0.00 55.73 55.84 1wa9 s ARG 394 Cb -0.07 -0.93 -0.04 0.00 -1.56 0.00 0.00 34.95 32.35 1wa9 s ARG 394 CO 0.01 -0.29 -0.19 -3.38 -0.81 0.00 0.00 175.30 170.64 1wa9 s HIS 395 N 1.92 2.52 1.16 5.12 -3.43 -0.31 0.54 115.29 122.81 1wa9 s HIS 395 Ca 0.04 -0.27 -0.15 0.00 -0.80 0.00 0.00 55.06 53.88 1wa9 s HIS 395 Cb -0.12 -1.35 0.27 0.00 -1.43 0.00 0.00 32.58 29.95 1wa9 s HIS 395 CO -0.05 0.37 1.04 -0.08 -2.00 0.00 0.00 174.74 174.02 1wa9 s THR 396 N -1.11 1.85 0.42 -5.38 -1.32 0.73 -1.43 115.64 109.40 1wa9 s THR 396 Ca 0.17 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.78 1wa9 s THR 396 Cb -0.11 -2.24 0.15 0.00 -1.51 0.00 0.00 72.50 68.80 1wa9 s THR 396 CO 0.09 0.00 1.94 0.00 -2.21 0.00 0.00 174.62 174.44 1wa9 h ALA 397 N -2.54 1.59 0.00 11.08 0.00 -1.83 0.10 119.26 127.66 1wa9 h ALA 397 Ca -0.56 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1wa9 h ALA 397 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wa9 h ALA 397 CO 0.48 0.31 0.00 0.25 0.00 0.00 0.00 179.25 180.29 1wa9 n THR 398 N -4.26 0.00 0.00 0.00 -2.24 -1.26 -4.05 114.28 102.47 1wa9 n THR 398 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1wa9 n THR 398 Cb 0.29 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 2.63 3.74 3.38 0.00 0.36 -4.93 105.19 110.70 1wa9 n GLY 399 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.12 4.51 0.39 -0.61 -4.36 -1.25 -1.55 121.20 116.21 1wa9 s ILE 400 Ca 0.00 1.91 -0.25 0.00 -0.26 0.00 0.00 60.65 62.05 1wa9 s ILE 400 Cb 0.00 -4.25 -0.11 0.00 1.25 0.00 0.00 42.46 39.35 1wa9 s ILE 400 CO 0.00 0.37 0.98 -0.38 0.24 0.00 0.00 174.94 176.15 1wa9 n ILE 401 N 2.55 2.28 0.00 8.37 5.41 -0.44 -0.20 119.36 137.34 1wa9 n ILE 401 Ca -0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1wa9 n ILE 401 Cb 0.49 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 1wa9 n ILE 401 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1wa9 n SER 402 N 0.73 2.06 -3.63 4.38 3.41 0.19 -2.71 113.62 118.04 1wa9 n SER 402 Ca 0.09 -0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 1wa9 n SER 402 Cb 0.38 0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.88 -0.73 -0.04 7.33 3.76 -0.99 -4.97 115.29 118.76 1wa9 s HIS 403 Ca 0.00 1.75 -0.01 0.00 -0.15 0.00 0.00 55.06 56.64 1wa9 s HIS 403 Cb 0.00 0.27 0.03 0.00 1.11 0.00 0.00 32.58 33.99 1wa9 s HIS 403 CO 0.00 -0.38 0.04 0.14 -0.85 0.00 0.00 174.74 173.68 1wa9 s VAL 404 N 0.20 0.05 0.25 -0.90 -7.23 -1.26 -1.11 120.40 110.39 1wa9 s VAL 404 Ca -0.01 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 1wa9 s VAL 404 Cb -0.04 -0.25 -0.14 0.00 0.56 0.00 0.00 36.38 36.50 1wa9 s VAL 404 CO 0.02 0.19 1.09 0.47 -0.31 0.00 0.00 175.10 176.56 1wa9 n ASP 405 N 5.03 1.45 -0.07 4.85 10.43 -0.24 -4.84 116.55 133.17 1wa9 n ASP 405 Ca -0.09 1.17 0.02 0.00 2.57 0.00 0.00 54.79 58.46 1wa9 n ASP 405 Cb 0.50 -1.28 0.36 0.00 1.84 0.00 0.00 41.12 42.53 1wa9 n ASP 405 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1wa9 h SER 406 N 2.59 0.60 0.00 -2.24 4.64 -1.99 -1.75 113.55 115.39 1wa9 h SER 406 Ca -0.41 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1wa9 h SER 406 Cb 1.33 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wa9 h SER 406 CO 0.65 0.45 0.00 0.00 -0.87 0.00 0.00 176.83 177.06 1wa9 n ALA 407 N -2.46 1.34 -0.12 5.18 0.00 -1.26 -1.41 120.51 121.78 1wa9 n ALA 407 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1wa9 n ALA 407 Cb 0.07 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 1wa9 n ALA 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wa9 n ALA 408 N -0.59 1.47 -0.34 0.00 0.00 -0.66 -4.45 120.51 115.94 1wa9 n ALA 408 Ca 0.00 -1.16 0.20 0.00 0.00 0.00 0.00 53.44 52.48 1wa9 n ALA 408 Cb 0.00 -0.12 0.44 0.00 0.00 0.00 0.00 19.45 19.78 1wa9 n ALA 408 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1wa9 h VAL 409 N 0.00 0.54 0.00 0.00 3.04 -1.40 0.71 116.25 119.14 1wa9 h VAL 409 Ca -0.56 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1wa9 h VAL 409 Cb 1.99 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1wa9 h VAL 409 CO -0.05 0.09 0.00 -1.20 -1.01 0.00 0.00 177.57 175.40 1wa9 n SER 410 N -4.76 0.00 0.00 3.17 7.64 -1.26 -2.99 113.62 115.42 1wa9 n SER 410 Ca 0.26 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1wa9 n SER 410 Cb 0.81 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 -0.66 1.07 -3.46 -0.43 0.00 0.24 -2.10 120.51 115.18 1wa9 n ALA 411 Ca 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.08 1wa9 n ALA 411 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 1wa9 n ALA 411 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wa9 s LEU 412 N -0.17 -0.74 0.00 0.00 1.02 -0.80 -4.99 118.68 113.00 1wa9 s LEU 412 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 54.13 55.14 1wa9 s LEU 412 Cb 0.00 1.83 0.00 0.00 0.02 0.00 0.00 46.19 48.04 1wa9 s LEU 412 CO 0.00 -0.14 0.06 0.61 0.02 0.00 0.00 176.35 176.90 1wa9 n GLY 413 N 5.12 0.00 3.67 -3.19 0.00 -1.25 -4.20 105.19 105.34 1wa9 n GLY 413 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.65 3.10 0.37 1.61 4.12 -1.26 -4.88 117.35 118.76 1wa9 s TYR 414 Ca 0.00 1.23 -0.24 0.00 0.02 0.00 0.00 57.07 58.08 1wa9 s TYR 414 Cb 0.00 -3.39 -0.10 0.00 -1.52 0.00 0.00 41.96 36.95 1wa9 s TYR 414 CO 0.00 -1.15 0.96 -0.51 0.02 0.00 0.00 175.55 174.88 1wa9 s LEU 415 N 3.09 4.18 0.24 -1.29 1.43 -1.26 -4.17 118.68 120.91 1wa9 s LEU 415 Ca 0.51 1.82 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1wa9 s LEU 415 Cb -0.20 -4.21 0.37 0.00 0.03 0.00 0.00 46.19 42.19 1wa9 s LEU 415 CO 0.13 -0.23 1.61 1.55 0.23 0.00 0.00 176.35 179.64 1wa9 h PRO 416 N 2.66 0.02 0.00 1.29 0.13 -1.91 1.10 132.00 135.29 1wa9 h PRO 416 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wa9 h PRO 416 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wa9 h PRO 416 CO 0.63 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1wa9 n GLN 417 N -5.47 0.21 0.08 0.86 0.00 -1.26 -0.37 117.38 111.43 1wa9 n GLN 417 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.24 1wa9 n GLN 417 Cb 0.43 -1.47 0.04 0.00 0.00 0.00 0.00 30.24 29.25 1wa9 n GLN 417 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wa9 n ASP 418 N -0.97 0.77 -0.11 2.61 8.00 0.38 -4.45 116.55 122.78 1wa9 n ASP 418 Ca 0.05 0.21 -0.22 0.00 0.71 0.00 0.00 54.79 55.54 1wa9 n ASP 418 Cb 0.02 0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 1wa9 n ASP 418 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wa9 n LEU 419 N -2.44 2.04 -4.68 0.64 4.77 0.50 -4.82 117.00 113.02 1wa9 n LEU 419 Ca 0.01 0.16 -0.47 0.00 -0.03 0.00 0.00 56.01 55.68 1wa9 n LEU 419 Cb 0.51 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1wa9 n LEU 419 CO 0.39 0.60 1.36 2.30 -1.33 0.00 0.00 177.39 180.71 1wa9 n ILE 420 N -3.75 0.32 0.00 -0.08 -6.64 -1.02 -1.44 119.36 106.75 1wa9 n ILE 420 Ca -0.43 -0.06 0.00 0.00 -1.77 0.00 0.00 62.75 60.49 1wa9 n ILE 420 Cb 0.85 -1.74 0.00 0.00 -1.44 0.00 0.00 39.64 37.31 1wa9 n ILE 420 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1wa9 n GLY 421 N 3.96 3.13 3.87 3.28 0.00 -1.10 -4.94 105.19 113.39 1wa9 n GLY 421 Ca 0.20 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 3.81 -0.35 1.61 0.52 -0.52 -4.74 118.95 119.28 1wa9 s ARG 422 Ca 0.00 0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 55.39 1wa9 s ARG 422 Cb 0.00 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 33.05 1wa9 s ARG 422 CO 0.00 0.04 1.24 0.45 0.02 0.00 0.00 175.30 177.05 1wa9 s SER 423 N -2.95 6.68 0.29 0.23 0.15 -1.26 -1.33 113.70 115.52 1wa9 s SER 423 Ca 0.51 1.01 0.03 0.00 0.70 0.00 0.00 55.95 58.19 1wa9 s SER 423 Cb -0.10 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 1wa9 s SER 423 CO 0.28 -1.11 0.84 0.00 1.20 0.00 0.00 173.24 174.45 1wa9 n ILE 424 N 6.35 0.15 0.43 6.45 3.06 -0.59 -1.22 119.36 133.98 1wa9 n ILE 424 Ca 0.14 0.72 -0.20 0.00 -2.50 0.00 0.00 62.75 60.91 1wa9 n ILE 424 Cb 0.47 -1.72 -0.10 0.00 0.54 0.00 0.00 39.64 38.83 1wa9 n ILE 424 CO 0.00 0.00 0.00 0.24 -2.50 0.00 0.00 176.55 174.29 1wa9 h MET 425 N 0.00 -1.16 -0.61 9.51 2.86 -1.90 -3.23 114.93 120.41 1wa9 h MET 425 Ca 0.00 0.08 0.20 0.00 -2.06 0.00 0.00 59.70 57.92 1wa9 h MET 425 Cb 1.25 0.26 -0.11 0.00 0.06 0.00 0.00 31.60 33.06 1wa9 h MET 425 CO 0.00 -0.77 0.14 -0.25 1.06 0.00 0.00 176.91 177.09 1wa9 n ASP 426 N -5.63 0.05 -0.04 1.22 10.43 -0.36 -0.48 116.55 121.74 1wa9 n ASP 426 Ca -0.15 1.02 0.00 0.00 2.57 0.00 0.00 54.79 58.24 1wa9 n ASP 426 Cb 0.51 -0.42 0.00 0.00 1.84 0.00 0.00 41.12 43.04 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 -4.61 0.00 -3.88 1.24 3.01 -1.22 -4.79 117.46 107.22 1wa9 n PHE 427 Ca 0.18 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.29 1wa9 n PHE 427 Cb 0.60 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.01 1wa9 n PHE 427 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1wa9 s TYR 428 N -1.92 3.58 0.05 1.38 4.12 0.36 -0.79 117.35 124.13 1wa9 s TYR 428 Ca 0.00 0.46 -0.30 0.00 0.02 0.00 0.00 57.07 57.25 1wa9 s TYR 428 Cb 0.00 -1.90 -0.08 0.00 -1.52 0.00 0.00 41.96 38.46 1wa9 s TYR 428 CO 0.00 0.69 1.71 -1.58 0.02 0.00 0.00 175.55 176.39 1wa9 s HIS 429 N -1.18 2.16 0.62 2.71 5.65 -1.16 -4.84 115.29 119.24 1wa9 s HIS 429 Ca 0.22 0.16 0.25 0.00 0.25 0.00 0.00 55.06 55.93 1wa9 s HIS 429 Cb -0.12 -4.01 1.19 0.00 -1.18 0.00 0.00 32.58 28.45 1wa9 s HIS 429 CO 0.12 -4.19 1.64 0.45 -0.65 0.00 0.00 174.74 172.11 1wa9 h HIS 430 N 8.87 0.00 0.00 3.88 -0.00 -1.95 0.73 115.15 126.68 1wa9 h HIS 430 Ca -0.43 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.76 1wa9 h HIS 430 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 1wa9 h HIS 430 CO 0.82 0.00 -1.27 0.93 -0.00 0.00 0.00 177.93 178.41 1wa9 h GLU 431 N 0.00 0.00 0.00 2.45 5.08 -2.02 -3.35 114.58 116.74 1wa9 h GLU 431 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1wa9 h GLU 431 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1wa9 h GLU 431 CO -0.00 0.42 -0.77 -0.44 -1.00 0.00 0.00 179.01 177.22 1wa9 h ASP 432 N 0.00 0.00 -0.70 1.42 3.45 0.05 -3.39 116.42 117.24 1wa9 h ASP 432 Ca -0.14 -0.16 0.29 0.00 0.43 0.00 0.00 57.03 57.45 1wa9 h ASP 432 Cb 1.64 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 40.28 1wa9 h ASP 432 CO 0.06 0.08 0.35 -0.11 -1.57 0.00 0.00 179.24 178.05 1wa9 n LEU 433 N -2.30 0.22 0.09 1.55 7.94 -0.50 0.12 117.00 124.12 1wa9 n LEU 433 Ca 0.02 1.17 -0.13 0.00 -1.11 0.00 0.00 56.01 55.96 1wa9 n LEU 433 Cb 0.48 -0.56 -0.08 0.00 0.53 0.00 0.00 43.42 43.78 1wa9 n LEU 433 CO 0.38 -1.30 0.60 -1.28 -1.11 0.00 0.00 177.39 174.68 1wa9 h SER 434 N 0.00 -0.20 0.22 1.96 0.87 -1.87 -2.35 113.55 112.18 1wa9 h SER 434 Ca 0.58 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1wa9 h SER 434 Cb 1.52 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1wa9 h SER 434 CO -0.55 0.17 -0.07 0.58 -0.53 0.00 0.00 176.83 176.42 1wa9 h VAL 435 N -0.60 0.56 0.32 2.23 2.07 0.65 -1.73 116.25 119.75 1wa9 h VAL 435 Ca -0.02 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1wa9 h VAL 435 Cb 0.44 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1wa9 h VAL 435 CO 0.04 0.07 -0.15 0.24 0.02 0.00 0.00 177.57 177.79 1wa9 h MET 436 N 0.00 -0.41 -0.96 1.57 2.07 -0.70 -2.71 114.93 113.79 1wa9 h MET 436 Ca -0.00 0.03 0.26 0.00 -2.07 0.00 0.00 59.70 57.92 1wa9 h MET 436 Cb 0.20 0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 29.97 1wa9 h MET 436 CO 0.01 -0.11 0.67 -0.22 1.07 0.00 0.00 176.91 178.33 1wa9 h LYS 437 N -0.73 0.14 -0.10 1.72 3.64 -0.80 0.74 116.57 121.18 1wa9 h LYS 437 Ca -0.04 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1wa9 h LYS 437 Cb 0.49 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1wa9 h LYS 437 CO 0.07 0.10 -0.32 1.49 -2.27 0.00 0.00 179.45 178.52 1wa9 h GLU 438 N 0.15 0.20 0.12 1.90 4.57 -1.05 -2.75 114.58 117.72 1wa9 h GLU 438 Ca 0.48 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.38 1wa9 h GLU 438 Cb 1.65 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.23 1wa9 h GLU 438 CO -0.09 0.50 -0.99 1.15 -1.18 0.00 0.00 179.01 178.40 1wa9 h THR 439 N 0.17 1.34 -0.24 0.32 2.02 0.74 -3.12 112.91 114.14 1wa9 h THR 439 Ca 0.02 -2.47 0.07 0.00 0.77 0.00 0.00 66.41 64.81 1wa9 h THR 439 Cb 0.65 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1wa9 h THR 439 CO 0.05 0.69 0.36 1.88 0.37 0.00 0.00 175.52 178.87 1wa9 h TYR 440 N -0.41 0.00 0.45 3.16 0.99 -1.25 0.84 116.97 120.74 1wa9 h TYR 440 Ca -0.20 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 1wa9 h TYR 440 Cb 1.63 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.37 1wa9 h TYR 440 CO 0.17 0.00 -0.22 1.49 -0.00 0.00 0.00 178.16 179.61 1wa9 h GLU 441 N 0.00 -0.58 -0.88 4.88 4.81 -1.49 -1.25 114.58 120.08 1wa9 h GLU 441 Ca 0.12 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 1wa9 h GLU 441 Cb 0.83 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.25 1wa9 h GLU 441 CO -0.00 -0.27 0.46 1.15 -0.73 0.00 0.00 179.01 179.61 1wa9 h THR 442 N -0.92 0.71 -0.42 0.32 2.02 0.57 0.79 112.91 115.97 1wa9 h THR 442 Ca -0.06 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.98 1wa9 h THR 442 Cb 0.57 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1wa9 h THR 442 CO 0.10 0.11 0.05 0.58 0.37 0.00 0.00 175.52 176.74 1wa9 h VAL 443 N 0.63 0.74 0.63 3.16 2.07 -0.32 0.27 116.25 123.43 1wa9 h VAL 443 Ca 0.49 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.92 1wa9 h VAL 443 Cb 0.72 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1wa9 h VAL 443 CO -0.38 0.03 -0.30 -0.03 0.02 0.00 0.00 177.57 176.91 1wa9 h MET 444 N 0.17 -0.81 0.00 1.57 -1.53 0.26 -1.08 114.93 113.52 1wa9 h MET 444 Ca 0.21 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.52 1wa9 h MET 444 Cb 0.28 0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.51 1wa9 h MET 444 CO -0.30 -0.54 0.15 0.87 0.14 0.00 0.00 176.91 177.23 1wa9 h LYS 445 N -1.03 0.00 0.00 0.39 1.57 -0.82 1.30 116.57 117.98 1wa9 h LYS 445 Ca -0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1wa9 h LYS 445 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1wa9 h LYS 445 CO 0.14 0.00 -0.91 0.87 -0.57 0.00 0.00 179.45 178.98 1wa9 h LYS 446 N 0.00 0.00 0.00 3.15 1.79 -0.16 -3.29 116.57 118.06 1wa9 h LYS 446 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wa9 h LYS 446 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1wa9 h LYS 446 CO 0.00 0.13 0.00 0.41 -1.08 0.00 0.00 179.45 178.91 1wa9 n GLY 447 N 1.23 -1.04 0.11 3.86 0.00 0.45 -2.56 105.19 107.24 1wa9 n GLY 447 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1wa9 n GLY 447 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wa9 h GLN 448 N 0.00 0.28 -4.75 1.61 4.20 -1.62 -3.36 115.11 111.47 1wa9 h GLN 448 Ca 0.00 -0.02 -0.69 0.00 0.06 0.00 0.00 58.65 58.00 1wa9 h GLN 448 Cb 0.27 -0.06 -0.19 0.00 0.30 0.00 0.00 27.48 27.79 1wa9 h GLN 448 CO 0.00 0.19 -0.32 -0.08 -0.67 0.00 0.00 178.83 177.95 1wa9 s THR 449 N -6.17 5.18 0.61 -0.54 -1.32 -1.06 -4.75 115.64 107.58 1wa9 s THR 449 Ca -0.13 -0.35 -0.19 0.00 -1.21 0.00 0.00 61.69 59.81 1wa9 s THR 449 Cb 0.09 -3.93 -0.03 0.00 -1.51 0.00 0.00 72.50 67.12 1wa9 s THR 449 CO 0.69 -0.28 1.20 0.00 -2.21 0.00 0.00 174.62 174.02 1wa9 n ALA 450 N 5.37 0.91 0.00 11.08 0.00 -1.26 -2.84 120.51 133.77 1wa9 n ALA 450 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wa9 n ALA 450 Cb 0.48 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1wa9 n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa9 n GLY 451 N 1.01 2.22 2.85 0.00 0.00 -1.26 -5.02 105.19 104.99 1wa9 n GLY 451 Ca 0.14 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -4.59 -3.55 4.61 0.00 -1.13 -4.92 120.51 110.93 1wa9 n ALA 452 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1wa9 n ALA 452 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.93 -0.38 -0.29 0.00 1.04 -1.26 -4.47 113.70 107.42 1wa9 s SER 453 Ca 0.42 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 1wa9 s SER 453 Cb -0.26 0.48 0.13 0.00 0.10 0.00 0.00 66.02 66.47 1wa9 s SER 453 CO 0.72 -0.81 0.91 0.72 0.98 0.00 0.00 173.24 175.75 1wa9 s PHE 454 N -3.37 -0.69 1.25 5.02 -0.71 -1.05 -4.98 117.98 113.46 1wa9 s PHE 454 Ca 0.06 1.39 -0.18 0.00 -1.04 0.00 0.00 56.93 57.16 1wa9 s PHE 454 Cb -0.01 0.41 0.31 0.00 -1.21 0.00 0.00 43.02 42.52 1wa9 s PHE 454 CO -0.07 -0.34 1.02 0.00 -1.34 0.00 0.00 175.22 174.49 1wa9 n SER 456 N -5.06 -0.97 -4.58 0.00 3.41 -0.89 -4.88 113.62 100.64 1wa9 n SER 456 Ca 0.09 -1.88 -0.42 0.00 -0.26 0.00 0.00 58.87 56.41 1wa9 n SER 456 Cb 0.58 1.68 -0.03 0.00 -0.26 0.00 0.00 64.21 66.19 1wa9 n SER 456 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wa9 s LYS 457 N -2.20 3.29 -0.09 4.33 -2.85 -1.26 -4.73 119.74 116.22 1wa9 s LYS 457 Ca 0.11 0.66 -0.25 0.00 -1.00 0.00 0.00 55.97 55.49 1wa9 s LYS 457 Cb -0.02 -4.14 -0.12 0.00 -2.06 0.00 0.00 37.83 31.49 1wa9 s LYS 457 CO 0.08 -1.94 0.74 -2.30 0.10 0.00 0.00 175.35 172.03 1wa9 n PRO 458 N 8.58 0.00 -4.46 1.78 -0.02 -1.26 -4.95 135.00 134.67 1wa9 n PRO 458 Ca 0.15 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 1wa9 n PRO 458 Cb 0.49 -0.90 -0.11 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.57 2.04 -0.04 6.00 1.13 -1.17 -4.82 117.35 121.06 1wa9 s TYR 459 Ca 0.57 -0.78 -0.28 0.00 -1.41 0.00 0.00 57.07 55.16 1wa9 s TYR 459 Cb -0.80 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 38.76 1wa9 s TYR 459 CO 0.39 0.21 0.92 1.03 -2.51 0.00 0.00 175.55 175.59 1wa9 s ARG 460 N -3.78 4.50 -0.05 -3.49 0.52 -1.24 -1.83 118.95 113.57 1wa9 s ARG 460 Ca 0.33 1.28 0.01 0.00 -0.52 0.00 0.00 55.73 56.84 1wa9 s ARG 460 Cb 0.06 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 32.07 1wa9 s ARG 460 CO 0.14 -0.09 -0.07 0.12 0.02 0.00 0.00 175.30 175.42 1wa9 s PHE 461 N 1.20 0.98 -0.33 -0.53 2.19 -0.78 -3.01 117.98 117.71 1wa9 s PHE 461 Ca 0.48 -0.32 -0.29 0.00 0.33 0.00 0.00 56.93 57.13 1wa9 s PHE 461 Cb -0.20 -0.80 0.00 0.00 -1.31 0.00 0.00 43.02 40.72 1wa9 s PHE 461 CO 0.23 -0.22 1.40 -1.17 1.83 0.00 0.00 175.22 177.30 1wa9 s LEU 462 N 0.83 3.76 0.60 6.12 1.98 0.03 -1.33 118.68 130.67 1wa9 s LEU 462 Ca -0.12 1.12 0.01 0.00 -2.89 0.00 0.00 54.13 52.25 1wa9 s LEU 462 Cb -0.15 -3.54 0.06 0.00 0.66 0.00 0.00 46.19 43.23 1wa9 s LEU 462 CO 0.01 -1.26 0.84 0.27 -1.89 0.00 0.00 176.35 174.32 1wa9 s ILE 463 N 4.96 2.49 0.01 6.68 -4.36 -0.16 -4.89 121.20 125.93 1wa9 s ILE 463 Ca 0.61 -0.67 -0.02 0.00 -0.26 0.00 0.00 60.65 60.32 1wa9 s ILE 463 Cb -0.17 -2.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.72 1wa9 s ILE 463 CO 0.28 0.00 0.90 1.67 0.24 0.00 0.00 174.94 178.03 1wa9 n GLN 464 N -2.47 -0.02 -0.29 0.37 -0.06 -1.26 -2.37 117.38 111.27 1wa9 n GLN 464 Ca 0.10 0.90 0.24 0.00 -2.00 0.00 0.00 57.00 56.25 1wa9 n GLN 464 Cb 0.60 -1.35 0.56 0.00 -4.06 0.00 0.00 30.24 25.99 1wa9 n GLN 464 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1wa9 h ASN 465 N 0.00 0.34 0.00 1.69 -0.00 -1.93 -3.45 115.58 112.22 1wa9 h ASN 465 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1wa9 h ASN 465 Cb 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 1wa9 h ASN 465 CO -0.05 0.09 0.00 0.61 -0.00 0.00 0.00 177.43 178.08 1wa9 n GLY 466 N -1.55 0.24 3.90 9.14 0.00 -1.00 -2.24 105.19 113.69 1wa9 n GLY 466 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.70 3.11 0.24 0.00 1.51 -1.26 -0.99 117.35 117.27 1wa9 s TYR 468 Ca 0.48 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 1wa9 s TYR 468 Cb -0.10 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1wa9 s TYR 468 CO 0.44 0.52 0.13 0.14 -1.11 0.00 0.00 175.55 175.67 1wa9 s VAL 469 N -2.08 0.26 -0.20 0.71 -7.23 -0.44 -4.55 120.40 106.87 1wa9 s VAL 469 Ca 0.33 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1wa9 s VAL 469 Cb -0.08 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1wa9 s VAL 469 CO 0.25 0.00 0.01 -0.76 -0.31 0.00 0.00 175.10 174.29 1wa9 s LEU 470 N -3.26 3.35 -0.14 1.32 1.02 -0.98 -1.87 118.68 118.11 1wa9 s LEU 470 Ca 0.38 -0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.33 1wa9 s LEU 470 Cb 0.07 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1wa9 s LEU 470 CO 0.14 0.07 -0.03 -0.76 0.02 0.00 0.00 176.35 175.79 1wa9 s LEU 471 N 0.96 3.31 -0.74 1.79 1.02 -0.76 -2.81 118.68 121.44 1wa9 s LEU 471 Ca 0.02 -0.08 -0.14 0.00 0.02 0.00 0.00 54.13 53.95 1wa9 s LEU 471 Cb -0.14 -1.79 0.19 0.00 0.02 0.00 0.00 46.19 44.47 1wa9 s LEU 471 CO 0.02 0.21 0.68 -0.70 0.02 0.00 0.00 176.35 176.57 1wa9 s GLU 472 N 0.15 3.37 -0.05 1.70 2.56 0.18 -3.04 118.70 123.58 1wa9 s GLU 472 Ca -0.01 -2.29 -0.08 0.00 0.00 0.00 0.00 54.97 52.59 1wa9 s GLU 472 Cb -0.14 -4.34 -0.04 0.00 2.00 0.00 0.00 34.13 31.61 1wa9 s GLU 472 CO 0.03 -1.29 0.22 0.99 -0.56 0.00 0.00 175.26 174.65 1wa9 s THR 473 N 0.48 5.36 -0.69 -1.70 2.01 -1.26 -1.97 115.64 117.88 1wa9 s THR 473 Ca 0.14 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1wa9 s THR 473 Cb -0.15 -3.51 0.18 0.00 0.01 0.00 0.00 72.50 69.03 1wa9 s THR 473 CO -0.06 0.51 0.53 1.21 -0.69 0.00 0.00 174.62 176.12 1wa9 n GLU 474 N 1.60 1.88 -1.68 4.92 2.13 -0.95 -2.10 120.64 126.44 1wa9 n GLU 474 Ca -0.16 -4.47 -0.41 0.00 0.66 0.00 0.00 57.16 52.78 1wa9 n GLU 474 Cb 0.54 -2.26 0.01 0.00 0.27 0.00 0.00 31.44 30.00 1wa9 n GLU 474 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1wa9 n TRP 475 N 1.82 1.99 -3.87 4.31 7.02 -1.11 -3.89 117.44 123.71 1wa9 n TRP 475 Ca 0.22 0.52 -0.09 0.00 -1.02 0.00 0.00 57.50 57.13 1wa9 n TRP 475 Cb 0.36 -2.36 -0.08 0.00 -2.42 0.00 0.00 31.31 26.82 1wa9 n TRP 475 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1wa9 s THR 476 N -1.19 0.14 0.21 -0.99 -1.32 -0.52 -2.52 115.64 109.45 1wa9 s THR 476 Ca 0.60 -1.15 -0.13 0.00 -1.21 0.00 0.00 61.69 59.80 1wa9 s THR 476 Cb -0.53 -1.26 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 1wa9 s THR 476 CO 0.58 -0.64 0.44 -0.94 -2.21 0.00 0.00 174.62 171.85 1wa9 s SER 477 N -2.70 -0.10 -0.14 8.08 1.04 -1.26 -0.97 113.70 117.65 1wa9 s SER 477 Ca 0.03 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1wa9 s SER 477 Cb 0.04 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1wa9 s SER 477 CO -0.09 -1.05 -0.14 0.12 0.98 0.00 0.00 173.24 173.06 1wa9 s PHE 478 N -3.96 2.09 -0.18 5.02 5.99 -0.70 -4.64 117.98 121.59 1wa9 s PHE 478 Ca 0.17 -1.15 -0.05 0.00 0.00 0.00 0.00 56.93 55.90 1wa9 s PHE 478 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 43.02 41.45 1wa9 s PHE 478 CO 0.03 -0.64 0.00 0.08 -0.00 0.00 0.00 175.22 174.69 1wa9 s VAL 479 N 1.47 4.11 -0.10 3.12 1.01 -1.26 -1.09 120.40 127.66 1wa9 s VAL 479 Ca 0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1wa9 s VAL 479 Cb -0.13 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1wa9 s VAL 479 CO -0.10 0.45 1.69 0.21 0.00 0.00 0.00 175.10 177.36 1wa9 s ASN 480 N 0.66 6.51 0.21 3.32 3.84 -0.68 -4.89 114.94 123.92 1wa9 s ASN 480 Ca -0.00 2.08 -0.09 0.00 0.21 0.00 0.00 52.86 55.05 1wa9 s ASN 480 Cb -0.14 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.26 1wa9 s ASN 480 CO 0.02 -1.08 1.83 1.55 -2.79 0.00 0.00 177.10 176.64 1wa9 h PRO 481 N 10.23 0.79 0.00 0.43 0.13 -1.95 -3.05 132.00 138.58 1wa9 h PRO 481 Ca -0.38 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wa9 h PRO 481 Cb 1.18 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1wa9 h PRO 481 CO 0.97 0.52 0.00 0.91 -0.23 0.00 0.00 178.00 180.17 1wa9 n TRP 482 N -4.70 0.00 -2.44 1.56 8.01 -1.26 -3.87 117.44 114.74 1wa9 n TRP 482 Ca 0.08 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.85 1wa9 n TRP 482 Cb 0.13 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.08 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 -1.55 4.90 -0.59 -0.99 3.41 -1.25 -4.87 113.62 112.66 1wa9 n SER 483 Ca 0.00 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1wa9 n SER 483 Cb 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.38 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 5.36 0.00 -3.51 4.33 5.12 -1.15 -4.70 116.66 122.11 1wa9 n ARG 484 Ca 0.42 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 56.15 1wa9 n ARG 484 Cb 0.40 -0.21 -0.01 0.00 -1.16 0.00 0.00 32.46 31.48 1wa9 n ARG 484 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1wa9 s LYS 485 N 0.00 3.16 0.05 5.56 3.01 -1.25 -1.01 119.74 129.26 1wa9 s LYS 485 Ca 0.00 -0.95 -0.30 0.00 -1.01 0.00 0.00 55.97 53.71 1wa9 s LYS 485 Cb 0.00 -2.82 -0.05 0.00 -1.01 0.00 0.00 37.83 33.96 1wa9 s LYS 485 CO 0.00 0.09 1.04 -1.17 0.51 0.00 0.00 175.35 175.83 1wa9 s LEU 486 N -4.17 4.40 -0.19 3.17 0.20 -1.26 -1.69 118.68 119.14 1wa9 s LEU 486 Ca 0.44 1.81 -0.15 0.00 0.69 0.00 0.00 54.13 56.92 1wa9 s LEU 486 Cb -0.09 -3.58 -0.20 0.00 -0.43 0.00 0.00 46.19 41.88 1wa9 s LEU 486 CO 0.31 -0.28 0.17 1.21 -0.29 0.00 0.00 176.35 177.48 1wa9 n GLU 487 N 3.57 0.63 -3.53 1.98 4.07 -0.25 -4.67 120.64 122.45 1wa9 n GLU 487 Ca 0.06 0.43 -0.15 0.00 -0.06 0.00 0.00 57.16 57.43 1wa9 n GLU 487 Cb 0.49 -1.70 -0.05 0.00 -0.06 0.00 0.00 31.44 30.12 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 -2.45 -0.55 -0.18 4.31 -0.12 -1.20 -3.63 117.98 114.16 1wa9 s PHE 488 Ca -0.28 0.89 -0.03 0.00 -0.05 0.00 0.00 56.93 57.46 1wa9 s PHE 488 Cb 0.07 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1wa9 s PHE 488 CO 0.64 -0.54 -0.07 0.08 -0.05 0.00 0.00 175.22 175.28 1wa9 s VAL 489 N -1.39 3.38 -0.05 -2.49 1.01 -0.51 -1.73 120.40 118.62 1wa9 s VAL 489 Ca -0.07 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1wa9 s VAL 489 Cb -0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1wa9 s VAL 489 CO 0.05 0.46 -0.22 0.54 0.00 0.00 0.00 175.10 175.93 1wa9 s VAL 490 N 0.95 2.32 -0.13 2.92 0.11 -0.14 -1.16 120.40 125.27 1wa9 s VAL 490 Ca -0.01 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1wa9 s VAL 490 Cb -0.15 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.86 1wa9 s VAL 490 CO 0.00 0.57 -0.19 -0.83 -3.33 0.00 0.00 175.10 171.32 1wa9 s GLY 491 N -0.33 1.26 -0.40 6.54 0.00 0.10 -1.44 107.32 113.05 1wa9 s GLY 491 Ca 0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 1wa9 s GLY 491 CO 0.02 0.10 0.45 0.30 0.00 0.00 0.00 173.10 173.98 1wa9 s HIS 492 N 0.94 3.17 0.20 1.90 3.76 -1.25 -0.98 115.29 123.02 1wa9 s HIS 492 Ca -0.05 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1wa9 s HIS 492 Cb -0.15 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 1wa9 s HIS 492 CO -0.03 -0.65 0.36 -1.01 -0.85 0.00 0.00 174.74 172.55 1wa9 s HIS 493 N 2.22 3.48 -0.10 1.40 3.76 -0.14 -2.23 115.29 123.67 1wa9 s HIS 493 Ca 0.14 0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 55.19 1wa9 s HIS 493 Cb -0.16 -1.73 0.05 0.00 1.11 0.00 0.00 32.58 31.85 1wa9 s HIS 493 CO 0.14 0.42 0.22 1.03 -0.85 0.00 0.00 174.74 175.70 1wa9 s ARG 494 N -3.50 0.11 -0.36 1.40 0.52 -0.83 -1.23 118.95 115.07 1wa9 s ARG 494 Ca 0.36 0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 56.03 1wa9 s ARG 494 Cb -0.10 -0.14 -0.00 0.00 0.52 0.00 0.00 34.95 35.22 1wa9 s ARG 494 CO 0.29 -0.26 0.41 0.54 0.02 0.00 0.00 175.30 176.31 1wa9 s VAL 495 N 2.07 5.12 -0.95 3.52 0.11 -1.25 0.52 120.40 129.54 1wa9 s VAL 495 Ca -0.01 0.06 0.21 0.00 -2.93 0.00 0.00 61.98 59.31 1wa9 s VAL 495 Cb -0.12 -3.89 -0.24 0.00 -1.53 0.00 0.00 36.38 30.61 1wa9 s VAL 495 CO -0.07 -0.18 0.88 0.49 -3.33 0.00 0.00 175.10 172.89 1wa9 n PHE 496 N 5.51 0.00 -3.85 1.54 3.72 -1.12 -4.78 117.46 118.48 1wa9 n PHE 496 Ca -0.08 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.02 1wa9 n PHE 496 Cb 0.49 -0.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.85 1wa9 n PHE 496 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1wa9 s GLN 497 N -3.02 1.05 1.22 -1.08 2.00 -1.21 -4.03 119.66 114.59 1wa9 s GLN 497 Ca 0.07 -1.37 -0.18 0.00 -2.00 0.00 0.00 55.36 51.89 1wa9 s GLN 497 Cb 0.16 -2.49 0.25 0.00 0.80 0.00 0.00 33.01 31.74 1wa9 s GLN 497 CO 0.87 -0.94 0.56 0.41 -0.50 0.00 0.00 175.29 175.69 1wa9 n GLY 498 N 4.61 -2.92 3.86 2.59 0.00 0.22 -2.33 105.19 111.23 1wa9 n GLY 498 Ca -0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1wa9 n GLY 498 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wa9 s PRO 499 N -4.15 3.83 0.03 1.61 0.04 -1.26 -4.21 135.00 130.89 1wa9 s PRO 499 Ca 0.56 0.61 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 1wa9 s PRO 499 Cb -0.12 -2.32 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1wa9 s PRO 499 CO 0.53 -0.09 1.27 -0.22 0.04 0.00 0.00 177.00 178.52 1wa9 h LYS 500 N 1.20 -0.59 -5.44 4.56 3.64 -1.93 0.30 116.57 118.31 1wa9 h LYS 500 Ca -0.47 0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.34 1wa9 h LYS 500 Cb 1.19 0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 33.03 1wa9 h LYS 500 CO 0.63 -0.40 -0.08 -1.14 -2.27 0.00 0.00 179.45 176.20 1wa9 s GLN 501 N -4.41 4.14 0.00 1.90 0.74 -1.26 -4.05 119.66 116.72 1wa9 s GLN 501 Ca -0.09 0.33 -0.00 0.00 0.05 0.00 0.00 55.36 55.64 1wa9 s GLN 501 Cb 0.01 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 1wa9 s GLN 501 CO 0.29 -0.19 0.96 0.00 -0.55 0.00 0.00 175.29 175.80 1wa9 n ASN 503 N 4.94 0.00 -1.88 0.00 5.15 -1.26 -4.82 115.26 117.39 1wa9 n ASN 503 Ca 0.01 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.93 1wa9 n ASN 503 Cb 0.01 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.32 1wa9 n ASN 503 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1wa9 n VAL 504 N 0.00 1.61 -3.36 3.44 0.31 -1.26 -4.74 118.33 114.33 1wa9 n VAL 504 Ca 0.00 -3.03 -0.17 0.00 -0.01 0.00 0.00 64.34 61.13 1wa9 n VAL 504 Cb 0.00 0.17 0.07 0.00 -0.91 0.00 0.00 33.84 33.17 1wa9 n VAL 504 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wa9 n PHE 505 N -0.53 -2.32 0.00 3.52 0.99 -1.26 -5.04 117.46 112.83 1wa9 n PHE 505 Ca 0.21 0.84 0.00 0.00 -0.00 0.00 0.00 57.45 58.50 1wa9 n PHE 505 Cb 0.90 -4.33 0.00 0.00 -1.00 0.00 0.00 39.48 35.05 1wa9 n PHE 505 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1wa9 n GLU 506 N -3.60 0.00 0.00 -1.08 0.28 -1.26 -4.97 120.64 110.00 1wa9 n GLU 506 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1wa9 n GLU 506 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 1wa9 n GLU 506 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wa9 n ALA 507 N -3.00 0.00 -2.84 -1.84 0.00 -1.26 -4.74 120.51 106.83 1wa9 n ALA 507 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1wa9 n ALA 507 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1wa9 n ALA 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wa9 n ALA 508 N -1.24 -0.56 -0.02 0.00 0.00 -0.95 -5.02 120.51 112.72 1wa9 n ALA 508 Ca 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 53.44 51.61 1wa9 n ALA 508 Cb 0.00 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 1wa9 n ALA 508 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wa9 n PRO 509 N 1.51 0.04 -3.80 0.00 -0.02 -1.26 -4.64 135.00 126.82 1wa9 n PRO 509 Ca 0.11 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 1wa9 n PRO 509 Cb 0.61 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.50 1wa9 n PRO 509 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1wa9 n THR 510 N 2.21 2.14 -2.33 3.45 -2.24 -1.26 -5.08 114.28 111.17 1wa9 n THR 510 Ca 0.00 -4.97 -0.19 0.00 -2.27 0.00 0.00 64.05 56.62 1wa9 n THR 510 Cb 0.02 -2.25 0.11 0.00 -2.10 0.00 0.00 70.33 66.11 1wa9 n THR 510 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wa9 s LYS 512 N -4.69 0.55 0.41 0.00 -2.85 -1.26 -5.17 119.74 106.74 1wa9 s LYS 512 Ca 0.53 0.80 0.01 0.00 -1.00 0.00 0.00 55.97 56.31 1wa9 s LYS 512 Cb -0.03 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1wa9 s LYS 512 CO 0.36 -0.79 0.09 1.47 0.10 0.00 0.00 175.35 176.58 1wa9 n LEU 513 N 5.42 0.00 0.00 2.77 -0.00 -1.26 -5.17 117.00 118.76 1wa9 n LEU 513 Ca 0.01 -2.43 -0.10 0.00 -0.00 0.00 0.00 56.01 53.49 1wa9 n LEU 513 Cb 0.52 0.19 -0.02 0.00 -0.00 0.00 0.00 43.42 44.11 1wa9 n LEU 513 CO -0.00 -0.40 -0.06 1.17 -0.00 0.00 0.00 177.39 178.09 1wa9 n LYS 514 N -1.14 1.60 -0.93 1.47 3.00 -1.26 -5.13 118.16 115.77 1wa9 n LYS 514 Ca -0.12 -1.11 -0.15 0.00 -0.00 0.00 0.00 58.31 56.93 1wa9 n LYS 514 Cb 0.50 0.28 0.10 0.00 0.00 0.00 0.00 35.03 35.92 1wa9 n LYS 514 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1wa9 n ILE 515 N -0.42 0.00 -0.06 3.15 -6.64 -1.26 -4.47 119.36 109.65 1wa9 n ILE 515 Ca -0.06 -0.48 -0.03 0.00 -1.77 0.00 0.00 62.75 60.41 1wa9 n ILE 515 Cb 0.19 -1.72 -0.02 0.00 -1.44 0.00 0.00 39.64 36.65 1wa9 n ILE 515 CO 0.00 0.00 0.00 -1.28 -1.77 0.00 0.00 176.55 173.50 1wa9 h SER 516 N -0.94 -0.46 0.00 7.28 0.87 -2.00 0.58 113.55 118.88 1wa9 h SER 516 Ca -0.22 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1wa9 h SER 516 Cb 0.60 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1wa9 h SER 516 CO 0.15 -0.08 0.00 -0.62 -0.53 0.00 0.00 176.83 175.75 1wa9 n GLU 517 N -3.41 0.33 0.00 2.24 -0.58 -1.26 -0.40 120.64 117.57 1wa9 n GLU 517 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1wa9 n GLU 517 Cb 0.07 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1wa9 n GLU 517 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wa9 n GLU 518 N 0.73 0.92 -0.09 3.49 1.02 -0.42 -4.79 120.64 121.49 1wa9 n GLU 518 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1wa9 n GLU 518 Cb 0.15 -0.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.28 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 -0.33 1.65 0.27 0.62 0.00 0.19 -4.08 120.51 118.83 1wa9 n ALA 519 Ca 0.00 -0.77 0.17 0.00 0.00 0.00 0.00 53.44 52.84 1wa9 n ALA 519 Cb 0.00 0.21 0.87 0.00 0.00 0.00 0.00 19.45 20.53 1wa9 n ALA 519 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wa9 h GLN 520 N -0.73 0.00 -0.17 0.00 -0.00 -0.84 0.94 115.11 114.31 1wa9 h GLN 520 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1wa9 h GLN 520 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.79 1wa9 h GLN 520 CO -0.25 0.00 0.00 0.43 0.00 0.00 0.00 178.83 179.01 1wa9 n SER 521 N -2.68 2.01 -0.00 -0.69 7.64 -1.12 -3.01 113.62 115.76 1wa9 n SER 521 Ca -0.02 -1.74 0.07 0.00 1.01 0.00 0.00 58.87 58.19 1wa9 n SER 521 Cb 0.09 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 1wa9 n SER 521 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wa9 n ARG 522 N 0.55 0.99 0.03 1.43 3.00 0.32 -4.27 116.66 118.71 1wa9 n ARG 522 Ca 0.17 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.85 57.87 1wa9 n ARG 522 Cb 0.40 -1.27 -0.10 0.00 0.00 0.00 0.00 32.46 31.49 1wa9 n ARG 522 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1wa9 h ASN 523 N 0.00 0.00 1.02 0.55 2.35 -1.35 -2.70 115.58 115.46 1wa9 h ASN 523 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wa9 h ASN 523 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wa9 h ASN 523 CO 0.00 0.86 0.00 0.74 -1.65 0.00 0.00 177.43 177.38 1wa9 h THR 524 N 0.00 0.00 0.00 2.81 2.02 -1.73 -2.48 112.91 113.53 1wa9 h THR 524 Ca -0.14 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1wa9 h THR 524 Cb 1.78 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 1wa9 h THR 524 CO 0.09 0.00 -0.31 -0.09 0.37 0.00 0.00 175.52 175.58 1wa9 h ARG 525 N 0.00 0.00 0.12 6.66 2.43 -1.71 -3.14 114.38 118.75 1wa9 h ARG 525 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1wa9 h ARG 525 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1wa9 h ARG 525 CO 0.00 0.72 -0.06 -0.84 -1.51 0.00 0.00 179.97 178.28 1wa9 h ILE 526 N -1.00 0.88 0.00 1.20 3.07 -1.47 -0.01 117.51 120.18 1wa9 h ILE 526 Ca -0.07 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.32 1wa9 h ILE 526 Cb 0.82 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 1wa9 h ILE 526 CO -0.05 0.00 0.13 0.11 -1.05 0.00 0.00 178.15 177.30 1wa9 h LYS 527 N -0.17 0.00 0.00 0.16 1.57 -1.62 0.66 116.57 117.16 1wa9 h LYS 527 Ca -0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1wa9 h LYS 527 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1wa9 h LYS 527 CO 0.03 0.00 -1.05 1.49 -0.57 0.00 0.00 179.45 179.35 1wa9 h GLU 528 N 0.00 0.00 0.03 3.15 4.81 -0.96 -3.18 114.58 118.44 1wa9 h GLU 528 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wa9 h GLU 528 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1wa9 h GLU 528 CO 0.00 0.79 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.61 1wa9 h ASP 529 N 0.00 -0.04 -0.11 1.04 5.19 0.82 -1.13 116.42 122.20 1wa9 h ASP 529 Ca -0.06 -0.56 0.03 0.00 -0.62 0.00 0.00 57.03 55.82 1wa9 h ASP 529 Cb 1.73 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 41.25 1wa9 h ASP 529 CO 0.11 0.56 0.45 0.40 -3.12 0.00 0.00 179.24 177.63 1wa9 h ILE 530 N -0.66 0.07 0.00 0.35 2.04 -1.51 -2.29 117.51 115.51 1wa9 h ILE 530 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wa9 h ILE 530 Cb 0.59 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1wa9 h ILE 530 CO 0.01 0.00 -0.39 0.58 0.00 0.00 0.00 178.15 178.34 1wa9 h VAL 531 N 0.00 0.06 0.00 1.67 2.07 -1.44 -3.22 116.25 115.40 1wa9 h VAL 531 Ca 0.05 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1wa9 h VAL 531 Cb 0.95 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1wa9 h VAL 531 CO -0.00 0.02 0.36 1.17 0.02 0.00 0.00 177.57 179.14 1wa9 n LYS 532 N -4.65 0.00 0.00 1.57 3.00 -0.46 -3.79 118.16 113.82 1wa9 n LYS 532 Ca -0.06 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1wa9 n LYS 532 Cb 0.21 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.38 1wa9 n LYS 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wa9 n ARG 533 N -1.05 0.00 0.00 1.64 1.74 -1.19 -4.58 116.66 113.22 1wa9 n ARG 533 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wa9 n ARG 533 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 1wa9 n ARG 533 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1wa9 n LEU 534 N 0.00 0.00 -0.10 0.55 7.94 -1.21 0.42 117.00 124.60 1wa9 n LEU 534 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1wa9 n LEU 534 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1wa9 n LEU 534 CO 0.00 0.00 -1.12 0.00 -1.11 0.00 0.00 177.39 175.16 1wa9 n ALA 535 N 0.00 1.59 -1.34 1.96 0.00 -1.26 -4.56 120.51 116.90 1wa9 n ALA 535 Ca 0.00 -0.82 -0.44 0.00 0.00 0.00 0.00 53.44 52.17 1wa9 n ALA 535 Cb 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 1wa9 n ALA 535 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wa9 n GLU 536 N -3.04 0.00 -2.03 0.00 4.07 1.43 -4.77 120.64 116.30 1wa9 n GLU 536 Ca -0.34 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.35 1wa9 n GLU 536 Cb 0.87 -1.42 -0.02 0.00 -0.06 0.00 0.00 31.44 30.81 1wa9 n GLU 536 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1wa9 s THR 537 N 7.61 2.73 0.07 6.31 2.01 -1.26 -4.68 115.64 128.43 1wa9 s THR 537 Ca 1.24 0.60 -0.23 0.00 0.31 0.00 0.00 61.69 63.61 1wa9 s THR 537 Cb -1.26 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 67.80 1wa9 s THR 537 CO 0.51 0.09 0.71 -0.69 -0.69 0.00 0.00 174.62 174.55 1wa9 s VAL 538 N 0.10 4.68 0.31 3.82 1.01 -0.18 -5.02 120.40 125.11 1wa9 s VAL 538 Ca 0.60 1.51 -0.28 0.00 0.00 0.00 0.00 61.98 63.81 1wa9 s VAL 538 Cb -0.41 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 1wa9 s VAL 538 CO 0.42 0.44 1.07 -0.44 0.00 0.00 0.00 175.10 176.59 1wa9 s SER 539 N -0.50 7.15 -0.41 3.32 0.01 -1.26 -4.87 113.70 117.14 1wa9 s SER 539 Ca 0.35 2.18 0.09 0.00 1.31 0.00 0.00 55.95 59.87 1wa9 s SER 539 Cb -0.21 -2.61 0.30 0.00 0.21 0.00 0.00 66.02 63.71 1wa9 s SER 539 CO 0.22 -0.22 0.79 0.54 0.41 0.00 0.00 173.24 174.98 1wa9 n ARG 540 N 0.85 0.89 -1.73 12.44 5.12 -1.26 -4.49 116.66 128.47 1wa9 n ARG 540 Ca 0.01 -2.75 -0.43 0.00 -1.93 0.00 0.00 57.85 52.75 1wa9 n ARG 540 Cb 0.46 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 1wa9 n ARG 540 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wa9 s PRO 541 N -1.00 3.55 -0.42 5.56 0.04 -1.26 -4.97 135.00 136.50 1wa9 s PRO 541 Ca 0.33 2.11 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 1wa9 s PRO 541 Cb 0.27 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.58 1wa9 s PRO 541 CO -0.11 -1.62 0.78 -1.54 0.04 0.00 0.00 177.00 174.55 1wa9 s SER 542 N 6.37 6.46 0.26 6.66 1.04 -1.26 -5.01 113.70 128.22 1wa9 s SER 542 Ca 0.91 0.05 -0.31 0.00 0.48 0.00 0.00 55.95 57.09 1wa9 s SER 542 Cb -0.34 -2.39 -0.13 0.00 0.10 0.00 0.00 66.02 63.26 1wa9 s SER 542 CO 0.36 -0.84 1.40 -0.67 0.98 0.00 0.00 173.24 174.47 1wa9 n ASP 543 N 6.60 2.86 -0.03 7.02 2.03 -1.26 -4.95 116.55 128.82 1wa9 n ASP 543 Ca 0.02 1.15 -0.14 0.00 0.52 0.00 0.00 54.79 56.35 1wa9 n ASP 543 Cb 0.48 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1wa9 n ASP 543 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wa9 h THR 544 N 2.99 1.51 0.34 5.18 1.03 -2.01 -3.23 112.91 118.72 1wa9 h THR 544 Ca -0.45 -1.63 -0.02 0.00 -0.01 0.00 0.00 66.41 64.30 1wa9 h THR 544 Cb 1.27 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.90 1wa9 h THR 544 CO 0.74 0.44 -0.16 1.62 -0.01 0.00 0.00 175.52 178.14 1wa9 h VAL 545 N -0.53 0.58 -0.64 0.00 3.04 -2.01 -3.25 116.25 113.45 1wa9 h VAL 545 Ca -0.01 -0.64 0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1wa9 h VAL 545 Cb 0.76 0.87 -0.10 0.00 -2.01 0.00 0.00 31.29 30.80 1wa9 h VAL 545 CO 0.02 0.11 -0.53 0.11 -1.01 0.00 0.00 177.57 176.27 1wa9 h LYS 546 N -0.86 -0.22 -0.96 4.17 1.57 -1.99 0.58 116.57 118.86 1wa9 h LYS 546 Ca -0.05 0.01 0.40 0.00 -1.87 0.00 0.00 60.65 59.15 1wa9 h LYS 546 Cb 0.53 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 32.71 1wa9 h LYS 546 CO 0.08 -0.15 0.50 1.04 -0.57 0.00 0.00 179.45 180.35 1wa9 n GLN 547 N -5.36 -0.06 -0.04 3.15 6.02 -1.22 -0.08 117.38 119.80 1wa9 n GLN 547 Ca 0.00 1.33 -0.08 0.00 -0.01 0.00 0.00 57.00 58.24 1wa9 n GLN 547 Cb 0.33 -2.38 -0.07 0.00 1.02 0.00 0.00 30.24 29.14 1wa9 n GLN 547 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1wa9 h GLU 548 N 0.00 -0.03 -0.41 -1.09 4.57 0.02 -2.48 114.58 115.15 1wa9 h GLU 548 Ca 0.81 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 59.04 1wa9 h GLU 548 Cb 2.12 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 30.63 1wa9 h GLU 548 CO -0.75 0.47 -0.52 -0.24 -1.18 0.00 0.00 179.01 176.79 1wa9 h VAL 549 N -0.98 0.03 -0.09 0.32 3.04 0.11 1.39 116.25 120.07 1wa9 h VAL 549 Ca -0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1wa9 h VAL 549 Cb 0.51 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1wa9 h VAL 549 CO 0.01 0.00 0.22 0.28 -1.01 0.00 0.00 177.57 177.07 1wa9 h SER 550 N -0.38 0.00 0.71 3.17 0.02 -0.63 0.46 113.55 116.91 1wa9 h SER 550 Ca 0.09 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.81 1wa9 h SER 550 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1wa9 h SER 550 CO -0.59 0.00 -1.05 -0.09 -1.14 0.00 0.00 176.83 173.96 1wa9 h ARG 551 N 0.00 0.17 0.06 3.45 9.65 0.22 -3.31 114.38 124.63 1wa9 h ARG 551 Ca 0.04 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1wa9 h ARG 551 Cb 0.48 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1wa9 h ARG 551 CO -0.00 1.07 -0.03 -0.09 2.80 0.00 0.00 179.97 183.72 1wa9 h ARG 552 N 0.07 -0.08 -2.26 0.20 2.43 0.23 -3.45 114.38 111.52 1wa9 h ARG 552 Ca -0.07 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.91 1wa9 h ARG 552 Cb 1.76 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.28 1wa9 h ARG 552 CO 0.16 0.45 0.85 0.00 -1.51 0.00 0.00 179.97 179.92 1wa9 h GLN 554 N 5.21 0.00 0.24 0.00 5.75 -1.90 -2.03 115.11 122.37 1wa9 h GLN 554 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1wa9 h GLN 554 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1wa9 h GLN 554 CO 0.68 0.00 -0.11 0.00 -2.65 0.00 0.00 178.83 176.74 1wa9 h ALA 555 N 2.00 -0.32 -0.58 3.38 0.00 -1.97 -2.89 119.26 118.88 1wa9 h ALA 555 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1wa9 h ALA 555 Cb 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1wa9 h ALA 555 CO 0.00 -0.31 0.03 1.25 0.00 0.00 0.00 179.25 180.21 1wa9 h LEU 556 N -1.05 -0.20 -0.05 0.00 5.85 -1.79 0.26 115.31 118.33 1wa9 h LEU 556 Ca -0.03 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1wa9 h LEU 556 Cb 0.35 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1wa9 h LEU 556 CO 0.05 -0.08 -0.10 0.00 -0.34 0.00 0.00 178.44 177.98 1wa9 h ALA 557 N 1.52 -0.44 -0.76 1.25 0.00 -1.45 0.87 119.26 120.25 1wa9 h ALA 557 Ca 0.30 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.33 1wa9 h ALA 557 Cb 0.48 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1wa9 h ALA 557 CO -0.48 -0.48 0.50 0.77 0.00 0.00 0.00 179.25 179.56 1wa9 h SER 558 N -0.08 0.52 0.28 0.00 0.02 -1.18 0.25 113.55 113.36 1wa9 h SER 558 Ca 0.01 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1wa9 h SER 558 Cb 0.11 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1wa9 h SER 558 CO -0.09 0.29 -0.41 0.15 -1.14 0.00 0.00 176.83 175.63 1wa9 h PHE 559 N 0.57 -1.13 -0.39 3.45 -0.00 0.85 0.18 116.94 120.46 1wa9 h PHE 559 Ca 0.36 0.02 0.05 0.00 -0.00 0.00 0.00 57.97 58.40 1wa9 h PHE 559 Cb 0.63 0.46 -0.04 0.00 -0.00 0.00 0.00 35.95 36.99 1wa9 h PHE 559 CO -0.00 -0.54 0.14 0.52 -0.00 0.00 0.00 178.31 178.43 1wa9 h MET 560 N -0.75 0.29 -1.00 1.11 2.86 0.21 -0.31 114.93 117.34 1wa9 h MET 560 Ca -0.01 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.80 1wa9 h MET 560 Cb 0.71 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 1wa9 h MET 560 CO -0.14 0.19 0.61 1.49 1.06 0.00 0.00 176.91 180.12 1wa9 h GLU 561 N 0.30 0.72 0.14 1.72 4.81 0.01 0.65 114.58 122.94 1wa9 h GLU 561 Ca 0.18 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1wa9 h GLU 561 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1wa9 h GLU 561 CO -0.19 0.48 -0.07 1.15 -0.73 0.00 0.00 179.01 179.65 1wa9 h THR 562 N 0.74 0.00 -0.46 0.32 2.02 -0.05 -2.72 112.91 112.77 1wa9 h THR 562 Ca 0.58 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 67.40 1wa9 h THR 562 Cb 0.92 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1wa9 h THR 562 CO -0.37 0.00 -0.27 -0.11 0.37 0.00 0.00 175.52 175.14 1wa9 n LEU 563 N -3.62 -0.48 -0.07 2.58 7.94 -0.22 0.24 117.00 123.37 1wa9 n LEU 563 Ca -0.02 0.82 -0.13 0.00 -1.11 0.00 0.00 56.01 55.57 1wa9 n LEU 563 Cb 0.08 -0.11 -0.09 0.00 0.53 0.00 0.00 43.42 43.83 1wa9 n LEU 563 CO 0.06 -0.67 0.50 -0.03 -1.11 0.00 0.00 177.39 176.14 1wa9 h MET 564 N 0.00 -0.42 -0.43 1.96 4.05 -1.01 -1.41 114.93 117.68 1wa9 h MET 564 Ca 0.07 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.62 1wa9 h MET 564 Cb 0.19 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 1wa9 h MET 564 CO -0.43 -0.28 0.30 0.22 0.23 0.00 0.00 176.91 176.95 1wa9 h ASP 565 N -0.43 0.12 1.73 1.39 1.82 0.35 0.30 116.42 121.70 1wa9 h ASP 565 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1wa9 h ASP 565 Cb 0.57 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 1wa9 h ASP 565 CO -0.46 0.07 -0.12 1.05 -1.61 0.00 0.00 179.24 178.17 1wa9 h GLU 566 N 0.13 0.00 0.12 0.28 4.11 0.86 -2.50 114.58 117.59 1wa9 h GLU 566 Ca 0.20 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.29 1wa9 h GLU 566 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1wa9 h GLU 566 CO -0.03 0.12 -1.79 0.28 0.07 0.00 0.00 179.01 177.66 1wa9 h VAL 567 N 0.00 0.85 -0.31 -1.06 2.07 -0.27 -2.54 116.25 114.99 1wa9 h VAL 567 Ca -0.00 -2.54 0.09 0.00 0.82 0.00 0.00 66.70 65.07 1wa9 h VAL 567 Cb 1.02 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1wa9 h VAL 567 CO 0.02 0.81 0.26 0.28 0.02 0.00 0.00 177.57 178.96 1wa9 h SER 568 N 0.07 0.00 0.00 0.57 0.02 -0.43 -3.18 113.55 110.60 1wa9 h SER 568 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1wa9 h SER 568 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1wa9 h SER 568 CO 0.13 0.00 -0.11 0.03 -1.14 0.00 0.00 176.83 175.73 1wa9 h ARG 569 N 0.00 0.00 0.00 3.45 3.08 -1.47 -3.37 114.38 116.07 1wa9 h ARG 569 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1wa9 h ARG 569 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1wa9 h ARG 569 CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1wa9 n ALA 570 N -2.60 0.00 0.29 0.04 0.00 -0.96 -1.80 120.51 115.48 1wa9 n ALA 570 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1wa9 n ALA 570 Cb 0.06 0.03 0.21 0.00 0.00 0.00 0.00 19.45 19.75 1wa9 n ALA 570 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wa9 h ASP 571 N 0.00 0.00 0.00 0.00 5.19 -1.81 -2.84 116.42 116.96 1wa9 h ASP 571 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wa9 h ASP 571 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1wa9 h ASP 571 CO 0.00 0.00 -0.62 -0.11 -3.12 0.00 0.00 179.24 175.39 1wa9 n LEU 572 N -2.42 1.45 -0.36 1.55 -0.00 -1.20 -4.55 117.00 111.48 1wa9 n LEU 572 Ca -0.01 0.37 0.01 0.00 -0.00 0.00 0.00 56.01 56.39 1wa9 n LEU 572 Cb 0.76 -0.72 0.05 0.00 -0.00 0.00 0.00 43.42 43.51 1wa9 n LEU 572 CO 0.03 -0.38 0.47 2.29 -0.00 0.00 0.00 177.39 179.80 1wa9 n LYS 573 N -4.03 1.35 -0.02 1.96 -0.00 -0.75 -4.28 118.16 112.38 1wa9 n LYS 573 Ca -0.09 -0.40 -0.03 0.00 -0.00 0.00 0.00 58.31 57.79 1wa9 n LYS 573 Cb 0.32 -1.26 -0.01 0.00 -0.00 0.00 0.00 35.03 34.09 1wa9 n LYS 573 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1wa9 n LEU 574 N -0.10 0.93 0.00 -5.58 4.77 -1.09 -5.05 117.00 110.88 1wa9 n LEU 574 Ca 0.04 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1wa9 n LEU 574 Cb 0.19 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1wa9 n LEU 574 CO 0.03 -0.48 0.00 1.21 -1.33 0.00 0.00 177.39 176.82