#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtj s SER 210 N 0.00 -0.06 0.19 6.12 0.15 -1.26 -5.18 113.70 113.67 2wtj s SER 210 Ca 0.00 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.52 2wtj s SER 210 Cb 0.00 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2wtj s SER 210 CO 0.00 -0.43 -0.12 0.68 1.20 0.00 0.00 173.24 174.57 2wtj s VAL 211 N -2.44 3.03 0.55 4.45 -7.23 -1.26 -5.12 120.40 112.39 2wtj s VAL 211 Ca 0.17 -1.78 -0.20 0.00 -1.81 0.00 0.00 61.98 58.37 2wtj s VAL 211 Cb 0.03 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 2wtj s VAL 211 CO -0.02 -0.14 1.23 -0.31 -0.31 0.00 0.00 175.10 175.55 2wtj s TYR 212 N -1.78 2.48 0.56 2.82 1.51 -1.26 -4.98 117.35 116.71 2wtj s TYR 212 Ca 0.25 1.49 -0.21 0.00 -1.01 0.00 0.00 57.07 57.59 2wtj s TYR 212 Cb -0.08 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 38.20 2wtj s TYR 212 CO 0.15 -2.18 1.27 -2.30 -1.11 0.00 0.00 175.55 171.37 2wtj n PRO 213 N -1.23 1.47 -0.25 -1.71 -0.02 -1.26 -4.80 135.00 127.20 2wtj n PRO 213 Ca 0.12 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 62.08 2wtj n PRO 213 Cb 0.48 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.54 2wtj n PRO 213 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wtj h LYS 214 N 1.17 1.02 -0.20 -0.52 3.64 -1.98 -1.06 116.57 118.63 2wtj h LYS 214 Ca -0.50 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 58.70 2wtj h LYS 214 Cb 1.32 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2wtj h LYS 214 CO 0.55 0.81 0.04 0.00 -2.27 0.00 0.00 179.45 178.59 2wtj h ALA 215 N 1.15 1.69 0.06 5.00 0.00 -1.99 0.20 119.26 125.37 2wtj h ALA 215 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wtj h ALA 215 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wtj h ALA 215 CO -0.03 0.24 -0.03 1.25 0.00 0.00 0.00 179.25 180.68 2wtj h LEU 216 N 0.28 -0.06 -1.43 0.00 5.85 -1.72 -3.18 115.31 115.05 2wtj h LEU 216 Ca 0.07 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.43 2wtj h LEU 216 Cb 0.13 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2wtj h LEU 216 CO -0.00 0.48 0.52 0.03 -0.34 0.00 0.00 178.44 179.13 2wtj h ARG 217 N -0.63 0.58 -0.38 1.25 3.08 -0.89 -0.73 114.38 116.65 2wtj h ARG 217 Ca -0.01 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.11 2wtj h ARG 217 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2wtj h ARG 217 CO 0.01 0.38 0.27 0.22 -1.07 0.00 0.00 179.97 179.79 2wtj h ASP 218 N 0.59 0.05 0.00 7.04 1.82 -0.59 -3.17 116.42 122.17 2wtj h ASP 218 Ca 0.38 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.00 2wtj h ASP 218 Cb 0.66 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 2wtj h ASP 218 CO -0.15 0.03 -1.36 -0.62 -1.61 0.00 0.00 179.24 175.53 2wtj n GLU 219 N -4.44 0.68 -4.18 0.28 1.02 -0.67 -4.95 120.64 108.38 2wtj n GLU 219 Ca 0.06 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2wtj n GLU 219 Cb 0.42 -1.17 -0.12 0.00 -0.02 0.00 0.00 31.44 30.54 2wtj n GLU 219 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wtj s TYR 220 N -2.45 0.89 -0.29 -0.32 2.02 -0.37 -0.87 117.35 115.97 2wtj s TYR 220 Ca -0.03 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.18 2wtj s TYR 220 Cb 0.04 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 41.04 2wtj s TYR 220 CO 0.30 -0.01 0.16 0.42 -1.57 0.00 0.00 175.55 174.85 2wtj s ILE 221 N -1.03 4.94 0.46 2.71 1.01 -0.26 -4.31 121.20 124.72 2wtj s ILE 221 Ca -0.04 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 2wtj s ILE 221 Cb -0.08 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 2wtj s ILE 221 CO 0.01 0.21 0.97 -0.04 0.00 0.00 0.00 174.94 176.09 2wtj s MET 222 N 1.70 4.09 0.00 2.79 -1.94 -1.26 -0.82 119.30 123.85 2wtj s MET 222 Ca 0.06 1.11 0.00 0.00 -1.71 0.00 0.00 55.69 55.16 2wtj s MET 222 Cb -0.16 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.52 2wtj s MET 222 CO 0.08 -0.16 0.00 0.45 -0.01 0.00 0.00 175.02 175.39 2wtj n SER 223 N -0.94 0.00 -4.76 3.03 2.88 0.64 -4.92 113.62 109.56 2wtj n SER 223 Ca 0.07 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.26 2wtj n SER 223 Cb 0.54 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 2wtj n SER 223 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2wtj s LYS 224 N 2.22 2.91 0.31 -1.46 -2.85 -1.26 -4.45 119.74 115.17 2wtj s LYS 224 Ca 0.00 1.67 -0.29 0.00 -1.00 0.00 0.00 55.97 56.35 2wtj s LYS 224 Cb 0.00 -1.94 -0.10 0.00 -2.06 0.00 0.00 37.83 33.73 2wtj s LYS 224 CO 0.00 -1.21 1.23 0.99 0.10 0.00 0.00 175.35 176.45 2wtj s THR 225 N -1.85 3.01 -0.09 3.79 2.01 -1.26 -0.45 115.64 120.80 2wtj s THR 225 Ca 0.74 1.02 0.10 0.00 0.31 0.00 0.00 61.69 63.86 2wtj s THR 225 Cb -0.26 -3.65 -0.15 0.00 0.01 0.00 0.00 72.50 68.45 2wtj s THR 225 CO 0.35 0.24 0.08 0.18 -0.69 0.00 0.00 174.62 174.78 2wtj n LEU 226 N 0.99 0.00 -3.54 4.42 4.77 0.15 -4.84 117.00 118.95 2wtj n LEU 226 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2wtj n LEU 226 Cb 0.43 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 2wtj n LEU 226 CO 0.57 0.22 0.80 -0.83 -1.33 0.00 0.00 177.39 176.82 2wtj s GLY 227 N -4.16 -0.40 -0.22 -0.72 0.00 -1.08 -4.99 107.32 95.75 2wtj s GLY 227 Ca -0.05 1.26 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 2wtj s GLY 227 CO 0.46 0.43 0.57 -1.35 0.00 0.00 0.00 173.10 173.21 2wtj s SER 228 N -2.31 -0.67 0.01 1.64 1.04 -1.26 0.29 113.70 112.43 2wtj s SER 228 Ca 0.06 1.19 0.02 0.00 0.48 0.00 0.00 55.95 57.71 2wtj s SER 228 Cb -0.01 1.14 -0.01 0.00 0.10 0.00 0.00 66.02 67.24 2wtj s SER 228 CO -0.07 -0.21 -0.08 -0.70 0.98 0.00 0.00 173.24 173.16 2wtj s GLU 233 N 0.89 0.58 -0.13 4.02 2.12 -1.14 -5.26 118.70 119.78 2wtj s GLU 233 Ca -0.05 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.94 2wtj s GLU 233 Cb -0.05 -0.53 0.00 0.00 0.26 0.00 0.00 34.13 33.81 2wtj s GLU 233 CO -0.08 0.14 -0.21 0.08 -0.54 0.00 0.00 175.26 174.65 2wtj s VAL 234 N -0.42 2.23 0.05 3.70 1.01 0.15 0.15 120.40 127.27 2wtj s VAL 234 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.13 2wtj s VAL 234 Cb -0.04 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2wtj s VAL 234 CO -0.00 0.55 -0.22 -0.54 0.00 0.00 0.00 175.10 174.88 2wtj s LYS 235 N 0.63 1.91 0.29 2.72 1.02 0.17 0.29 119.74 126.77 2wtj s LYS 235 Ca -0.11 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.52 2wtj s LYS 235 Cb -0.16 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.97 2wtj s LYS 235 CO 0.02 0.52 1.16 -1.17 -0.92 0.00 0.00 175.35 174.96 2wtj s LEU 236 N -1.42 4.52 0.11 3.17 1.98 0.40 -0.04 118.68 127.40 2wtj s LEU 236 Ca 0.13 2.38 -0.05 0.00 -2.89 0.00 0.00 54.13 53.70 2wtj s LEU 236 Cb -0.10 -3.63 -0.02 0.00 0.66 0.00 0.00 46.19 43.09 2wtj s LEU 236 CO 0.04 -0.25 0.13 0.00 -1.89 0.00 0.00 176.35 174.38 2wtj s ALA 237 N -1.13 0.26 -0.16 5.97 0.00 -0.43 -0.26 121.76 126.02 2wtj s ALA 237 Ca 0.46 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2wtj s ALA 237 Cb -0.34 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.42 2wtj s ALA 237 CO 0.44 -0.51 -0.18 -0.06 0.00 0.00 0.00 175.76 175.45 2wtj s PHE 238 N -3.95 2.74 -0.10 0.00 0.40 0.00 -0.56 117.98 116.52 2wtj s PHE 238 Ca 0.13 -1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 54.91 2wtj s PHE 238 Cb 0.06 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 2wtj s PHE 238 CO -0.05 -0.59 1.28 -2.00 0.70 0.00 0.00 175.22 174.56 2wtj s GLU 239 N 0.92 4.28 0.15 0.44 2.12 -0.15 -1.11 118.70 125.35 2wtj s GLU 239 Ca -0.04 1.73 -0.17 0.00 0.36 0.00 0.00 54.97 56.86 2wtj s GLU 239 Cb -0.15 -3.68 -0.00 0.00 0.26 0.00 0.00 34.13 30.56 2wtj s GLU 239 CO -0.03 -0.60 1.79 0.00 -0.54 0.00 0.00 175.26 175.88 2wtj h ARG 240 N 7.96 0.49 -0.97 4.30 3.08 -1.34 0.49 114.38 128.40 2wtj h ARG 240 Ca -0.31 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 59.83 2wtj h ARG 240 Cb 1.14 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.00 2wtj h ARG 240 CO 0.93 0.34 0.61 -0.22 -1.07 0.00 0.00 179.97 180.56 2wtj h LYS 241 N 0.49 0.87 0.00 0.04 3.64 -1.92 -3.12 116.57 116.58 2wtj h LYS 241 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2wtj h LYS 241 Cb -0.03 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2wtj h LYS 241 CO -0.03 0.58 -0.68 0.25 -2.27 0.00 0.00 179.45 177.30 2wtj n THR 242 N -4.61 0.00 -1.99 1.00 -2.24 -1.09 -4.98 114.28 100.37 2wtj n THR 242 Ca 0.19 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2wtj n THR 242 Cb 0.39 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 2wtj n THR 242 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wtj s LYS 244 N -4.36 3.27 0.33 0.00 -0.14 -1.22 -4.86 119.74 112.77 2wtj s LYS 244 Ca 0.00 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.69 2wtj s LYS 244 Cb 0.00 -2.87 -0.10 0.00 -1.68 0.00 0.00 37.83 33.18 2wtj s LYS 244 CO 0.00 0.52 0.98 0.15 -0.76 0.00 0.00 175.35 176.24 2wtj s LYS 245 N -3.10 4.50 0.23 1.68 1.02 -1.26 -0.98 119.74 121.83 2wtj s LYS 245 Ca 0.33 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.75 2wtj s LYS 245 Cb -0.11 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 2wtj s LYS 245 CO 0.27 0.18 0.12 0.14 -0.92 0.00 0.00 175.35 175.14 2wtj s VAL 246 N -1.57 0.22 -0.05 3.17 -7.23 0.28 -4.46 120.40 110.75 2wtj s VAL 246 Ca 0.51 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2wtj s VAL 246 Cb -0.21 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2wtj s VAL 246 CO 0.27 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 174.89 2wtj s ALA 247 N -3.98 2.55 -0.20 1.32 0.00 -0.15 -1.31 121.76 119.98 2wtj s ALA 247 Ca 0.39 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2wtj s ALA 247 Cb 0.07 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.31 2wtj s ALA 247 CO 0.13 0.51 -0.16 0.42 0.00 0.00 0.00 175.76 176.66 2wtj s ILE 248 N -0.55 2.03 -0.21 0.00 1.01 0.95 0.62 121.20 125.05 2wtj s ILE 248 Ca 0.08 -1.14 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 2wtj s ILE 248 Cb -0.11 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2wtj s ILE 248 CO 0.01 0.33 0.64 -0.75 0.00 0.00 0.00 174.94 175.17 2wtj s LYS 249 N 1.25 4.19 -0.28 2.79 2.20 0.90 -0.66 119.74 130.14 2wtj s LYS 249 Ca 0.00 0.62 -0.09 0.00 -0.36 0.00 0.00 55.97 56.14 2wtj s LYS 249 Cb -0.15 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 2wtj s LYS 249 CO -0.10 -0.28 0.12 0.42 -0.36 0.00 0.00 175.35 175.15 2wtj s ILE 250 N 2.05 4.58 -0.27 5.43 1.01 0.12 -0.42 121.20 133.71 2wtj s ILE 250 Ca 0.28 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 2wtj s ILE 250 Cb -0.16 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2wtj s ILE 250 CO 0.10 0.21 0.04 -0.63 0.00 0.00 0.00 174.94 174.66 2wtj s ILE 251 N 1.64 3.77 0.23 2.92 1.01 0.10 -2.90 121.20 127.96 2wtj s ILE 251 Ca 0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2wtj s ILE 251 Cb -0.16 -2.88 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 2wtj s ILE 251 CO 0.06 0.18 1.29 -0.94 0.00 0.00 0.00 174.94 175.54 2wtj s SER 252 N 1.49 6.90 -0.05 3.58 1.04 -1.26 -0.44 113.70 124.96 2wtj s SER 252 Ca 0.03 2.44 -0.30 0.00 0.48 0.00 0.00 55.95 58.60 2wtj s SER 252 Cb -0.16 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.31 2wtj s SER 252 CO 0.01 -0.50 1.20 -0.54 0.98 0.00 0.00 173.24 174.38 2wtj s LYS 253 N -0.48 4.36 0.00 4.02 1.02 -1.26 -4.88 119.74 122.52 2wtj s LYS 253 Ca 0.55 1.67 0.00 0.00 0.02 0.00 0.00 55.97 58.21 2wtj s LYS 253 Cb -0.37 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 2wtj s LYS 253 CO 0.41 -0.43 0.00 -2.30 -0.92 0.00 0.00 175.35 172.10 2wtj n PRO 266 N 5.12 0.00 -0.32 -1.68 -0.02 -1.26 -5.13 135.00 131.71 2wtj n PRO 266 Ca 0.11 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.68 2wtj n PRO 266 Cb 0.46 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.21 2wtj n PRO 266 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wtj h ALA 267 N 0.00 1.43 0.62 3.55 0.00 -1.99 -1.79 119.26 121.09 2wtj h ALA 267 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2wtj h ALA 267 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wtj h ALA 267 CO 0.00 -0.10 -0.30 1.37 0.00 0.00 0.00 179.25 180.22 2wtj h LEU 268 N 0.66 -0.71 -1.51 0.00 -0.00 -2.00 0.94 115.31 112.68 2wtj h LEU 268 Ca 0.51 -0.01 0.01 0.00 -0.00 0.00 0.00 57.88 58.39 2wtj h LEU 268 Cb 0.78 0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.59 2wtj h LEU 268 CO -0.39 -0.44 0.34 0.78 -0.00 0.00 0.00 178.44 178.73 2wtj h ASN 269 N -0.94 0.58 -0.08 0.17 4.21 -1.77 -2.34 115.58 115.41 2wtj h ASN 269 Ca -0.09 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.26 2wtj h ASN 269 Cb 0.67 -0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.74 2wtj h ASN 269 CO 0.14 0.42 -0.53 0.58 -1.29 0.00 0.00 177.43 176.75 2wtj h VAL 270 N 0.68 1.38 -0.94 2.81 2.07 -1.20 -1.88 116.25 119.16 2wtj h VAL 270 Ca 0.19 -1.88 0.06 0.00 0.82 0.00 0.00 66.70 65.89 2wtj h VAL 270 Cb -0.07 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2wtj h VAL 270 CO -0.04 0.56 0.60 -0.08 0.02 0.00 0.00 177.57 178.63 2wtj h GLU 271 N 0.07 1.06 0.02 1.57 4.57 -0.57 -1.51 114.58 119.78 2wtj h GLU 271 Ca -0.04 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 57.92 2wtj h GLU 271 Cb 1.19 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2wtj h GLU 271 CO 0.11 0.70 -0.62 1.79 -1.18 0.00 0.00 179.01 179.81 2wtj h THR 272 N 1.09 1.44 -0.36 0.32 1.35 -1.44 -2.49 112.91 112.82 2wtj h THR 272 Ca 0.41 -2.13 0.08 0.00 -0.55 0.00 0.00 66.41 64.21 2wtj h THR 272 Cb 0.17 2.68 -0.09 0.00 -1.73 0.00 0.00 68.15 69.18 2wtj h THR 272 CO -0.17 0.62 -0.26 -0.08 -0.25 0.00 0.00 175.52 175.38 2wtj h GLU 273 N -0.15 -0.20 -0.26 4.72 4.81 -1.17 0.37 114.58 122.70 2wtj h GLU 273 Ca -0.08 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wtj h GLU 273 Cb 1.35 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2wtj h GLU 273 CO 0.12 -0.13 0.17 0.82 -0.73 0.00 0.00 179.01 179.26 2wtj h ILE 274 N -0.21 1.07 -0.18 2.32 5.03 -1.33 -0.85 117.51 123.37 2wtj h ILE 274 Ca 0.17 -0.12 -0.06 0.00 -0.12 0.00 0.00 64.86 64.73 2wtj h ILE 274 Cb 0.48 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 34.94 2wtj h ILE 274 CO -0.48 0.06 -0.16 -0.33 -0.68 0.00 0.00 178.15 176.56 2wtj h GLU 275 N 0.35 0.30 0.04 2.37 3.07 -0.99 -0.93 114.58 118.79 2wtj h GLU 275 Ca 0.10 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2wtj h GLU 275 Cb -0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2wtj h GLU 275 CO -0.02 0.46 -0.02 0.82 -1.40 0.00 0.00 179.01 178.85 2wtj h ILE 276 N 0.28 1.32 -0.86 3.13 2.04 -0.68 -3.08 117.51 119.65 2wtj h ILE 276 Ca 0.05 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 2wtj h ILE 276 Cb 0.46 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2wtj h ILE 276 CO 0.03 0.30 0.52 -0.07 0.00 0.00 0.00 178.15 178.93 2wtj h LEU 277 N -0.60 1.03 -1.25 1.44 3.38 -0.94 -2.03 115.31 116.36 2wtj h LEU 277 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wtj h LEU 277 Cb 0.54 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2wtj h LEU 277 CO 0.01 0.79 0.37 0.11 0.09 0.00 0.00 178.44 179.81 2wtj h LYS 278 N 1.19 0.89 0.00 1.13 1.57 -1.25 -3.08 116.57 117.01 2wtj h LYS 278 Ca 0.31 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2wtj h LYS 278 Cb -0.05 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.07 2wtj h LYS 278 CO -0.06 0.64 -0.83 0.87 -0.57 0.00 0.00 179.45 179.50 2wtj h LYS 279 N 0.90 0.00 -6.54 3.15 1.57 -1.32 -3.46 116.57 110.87 2wtj h LYS 279 Ca 0.23 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.49 2wtj h LYS 279 Cb -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2wtj h LYS 279 CO -0.04 0.00 0.09 -0.51 -0.57 0.00 0.00 179.45 178.42 2wtj s LEU 280 N -5.31 4.34 -0.34 2.94 1.43 -0.82 -5.05 118.68 115.88 2wtj s LEU 280 Ca 0.01 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2wtj s LEU 280 Cb 0.09 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.91 2wtj s LEU 280 CO 0.77 0.04 0.26 0.21 0.23 0.00 0.00 176.35 177.86 2wtj s ASN 281 N -1.65 2.31 -0.11 2.29 2.47 -1.26 -4.96 114.94 114.03 2wtj s ASN 281 Ca 0.42 -1.70 -0.14 0.00 0.42 0.00 0.00 52.86 51.86 2wtj s ASN 281 Cb -0.17 0.02 0.03 0.00 -1.45 0.00 0.00 41.25 39.69 2wtj s ASN 281 CO 0.21 -0.32 0.37 -2.28 -3.72 0.00 0.00 177.10 171.36 2wtj s HIS 282 N 1.48 -0.37 0.47 0.43 2.46 -1.26 -5.05 115.29 113.44 2wtj s HIS 282 Ca 0.15 0.86 0.30 0.00 0.47 0.00 0.00 55.06 56.85 2wtj s HIS 282 Cb -0.18 0.14 1.65 0.00 -0.13 0.00 0.00 32.58 34.05 2wtj s HIS 282 CO -0.10 -0.25 2.15 -1.35 -2.47 0.00 0.00 174.74 172.72 2wtj h PRO 283 N 5.16 0.00 -0.47 2.88 0.11 -2.00 -2.17 132.00 135.51 2wtj h PRO 283 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wtj h PRO 283 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wtj h PRO 283 CO 0.30 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.16 2wtj s ILE 285 N -2.67 1.26 0.47 0.00 1.01 -0.82 -0.94 121.20 119.52 2wtj s ILE 285 Ca 0.50 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 2wtj s ILE 285 Cb 0.38 -1.16 -0.08 0.00 0.01 0.00 0.00 42.46 41.61 2wtj s ILE 285 CO 0.14 0.39 1.21 0.00 0.00 0.00 0.00 174.94 176.69 2wtj n ILE 286 N 3.98 2.91 -4.10 2.92 0.13 -0.74 -4.61 119.36 119.85 2wtj n ILE 286 Ca -0.21 -0.50 -0.31 0.00 -1.10 0.00 0.00 62.75 60.63 2wtj n ILE 286 Cb 0.52 -1.48 -0.07 0.00 -0.84 0.00 0.00 39.64 37.76 2wtj n ILE 286 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2wtj s LYS 287 N -2.37 2.84 0.02 9.51 1.02 -1.26 -4.96 119.74 124.54 2wtj s LYS 287 Ca 0.65 -0.68 -0.19 0.00 0.02 0.00 0.00 55.97 55.78 2wtj s LYS 287 Cb -0.49 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.06 2wtj s LYS 287 CO 0.55 0.58 0.54 -1.50 -0.92 0.00 0.00 175.35 174.60 2wtj s ILE 288 N -1.31 4.87 -0.13 2.17 2.07 -1.26 -3.38 121.20 124.23 2wtj s ILE 288 Ca 0.27 1.14 0.11 0.00 -1.41 0.00 0.00 60.65 60.75 2wtj s ILE 288 Cb -0.12 -3.87 -0.15 0.00 0.13 0.00 0.00 42.46 38.44 2wtj s ILE 288 CO 0.19 0.50 0.03 0.29 -1.91 0.00 0.00 174.94 174.04 2wtj n LYS 289 N 2.18 1.78 -3.60 3.50 5.02 0.15 -4.99 118.16 122.20 2wtj n LYS 289 Ca -0.10 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.13 2wtj n LYS 289 Cb 0.51 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 2wtj n LYS 289 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wtj s ASN 290 N -4.66 -0.30 -0.09 4.39 3.84 -1.15 -4.98 114.94 111.98 2wtj s ASN 290 Ca -0.08 -0.16 -0.05 0.00 0.21 0.00 0.00 52.86 52.78 2wtj s ASN 290 Cb 0.04 0.43 0.04 0.00 -0.55 0.00 0.00 41.25 41.21 2wtj s ASN 290 CO 0.51 -0.75 0.21 0.12 -2.79 0.00 0.00 177.10 174.41 2wtj s PHE 291 N -3.21 -0.26 -0.13 0.43 2.19 -1.26 -1.13 117.98 114.61 2wtj s PHE 291 Ca 0.08 0.64 -0.00 0.00 0.33 0.00 0.00 56.93 57.98 2wtj s PHE 291 Cb -0.01 0.03 0.02 0.00 -1.31 0.00 0.00 43.02 41.76 2wtj s PHE 291 CO -0.05 -0.18 -0.10 -0.06 1.83 0.00 0.00 175.22 176.67 2wtj s PHE 292 N 0.82 1.71 -0.49 10.12 0.40 0.09 -4.99 117.98 125.64 2wtj s PHE 292 Ca -0.06 -0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 55.25 2wtj s PHE 292 Cb -0.07 -1.35 0.11 0.00 0.51 0.00 0.00 43.02 42.22 2wtj s PHE 292 CO -0.05 -0.57 0.39 0.34 0.70 0.00 0.00 175.22 176.04 2wtj s ASP 293 N 1.64 5.93 0.00 1.36 3.68 -1.26 0.00 116.67 128.02 2wtj s ASP 293 Ca 0.05 -1.72 0.00 0.00 2.13 0.00 0.00 52.55 53.01 2wtj s ASP 293 Cb -0.13 -2.10 0.00 0.00 -1.45 0.00 0.00 42.92 39.24 2wtj s ASP 293 CO -0.09 -0.72 0.00 0.00 0.13 0.00 0.00 175.17 174.49 2wtj n ALA 294 N 5.07 0.00 -0.33 3.66 0.00 -1.26 -4.97 120.51 122.67 2wtj n ALA 294 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.46 2wtj n ALA 294 Cb 0.41 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.21 2wtj n ALA 294 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wtj h GLU 295 N 0.00 0.72 -5.15 0.00 5.08 -1.98 -3.42 114.58 109.83 2wtj h GLU 295 Ca 0.00 -0.04 -0.50 0.00 -1.00 0.00 0.00 59.36 57.82 2wtj h GLU 295 Cb 0.00 -0.16 -0.14 0.00 0.50 0.00 0.00 28.75 28.95 2wtj h GLU 295 CO 0.00 0.47 -0.58 -0.51 -1.00 0.00 0.00 179.01 177.40 2wtj s ASP 296 N -5.50 2.50 -0.00 1.42 -0.00 -1.26 -4.27 116.67 109.55 2wtj s ASP 296 Ca -0.11 -1.48 -0.17 0.00 -0.00 0.00 0.00 52.55 50.79 2wtj s ASP 296 Cb 0.24 0.14 -0.06 0.00 -0.00 0.00 0.00 42.92 43.24 2wtj s ASP 296 CO 0.80 -0.73 0.46 -0.31 -0.00 0.00 0.00 175.17 175.40 2wtj s TYR 297 N -3.28 3.71 -0.15 4.23 1.51 0.42 -4.53 117.35 119.26 2wtj s TYR 297 Ca 0.31 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.44 2wtj s TYR 297 Cb 0.06 -2.39 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 2wtj s TYR 297 CO 0.15 0.55 -0.16 0.71 -1.11 0.00 0.00 175.55 175.68 2wtj s TYR 298 N -0.78 2.29 -0.25 2.71 1.51 0.10 -0.73 117.35 122.21 2wtj s TYR 298 Ca 0.26 -1.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 2wtj s TYR 298 Cb -0.17 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2wtj s TYR 298 CO 0.14 -0.66 -0.03 0.42 -1.11 0.00 0.00 175.55 174.31 2wtj s ILE 299 N 1.32 3.24 -0.24 2.71 1.01 0.44 -0.74 121.20 128.96 2wtj s ILE 299 Ca 0.02 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.69 2wtj s ILE 299 Cb -0.13 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 2wtj s ILE 299 CO -0.09 0.25 0.59 -0.69 0.00 0.00 0.00 174.94 175.00 2wtj s VAL 300 N 1.41 5.03 0.31 2.92 1.01 -0.28 -0.07 120.40 130.73 2wtj s VAL 300 Ca 0.03 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.13 2wtj s VAL 300 Cb -0.16 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2wtj s VAL 300 CO -0.03 0.08 -0.06 -0.76 0.00 0.00 0.00 175.10 174.33 2wtj s LEU 301 N 2.23 2.56 0.29 3.92 1.43 0.20 0.31 118.68 129.63 2wtj s LEU 301 Ca 0.25 -1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 51.86 2wtj s LEU 301 Cb -0.16 -0.75 -0.14 0.00 0.03 0.00 0.00 46.19 45.18 2wtj s LEU 301 CO 0.09 -0.32 1.06 -0.62 0.23 0.00 0.00 176.35 176.79 2wtj n GLU 302 N -0.68 1.47 -2.94 1.70 1.02 -1.22 -0.98 120.64 119.02 2wtj n GLU 302 Ca -0.05 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 2wtj n GLU 302 Cb 0.64 -1.92 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 2wtj n GLU 302 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wtj s LEU 303 N 0.24 4.24 -0.45 -4.62 2.96 -1.26 -4.29 118.68 115.49 2wtj s LEU 303 Ca 0.59 1.20 -0.12 0.00 -0.22 0.00 0.00 54.13 55.58 2wtj s LEU 303 Cb -0.69 -3.20 0.09 0.00 0.50 0.00 0.00 46.19 42.90 2wtj s LEU 303 CO 0.60 -0.29 0.33 -0.04 -1.32 0.00 0.00 176.35 175.64 2wtj s MET 304 N 1.59 2.73 0.45 1.98 -1.94 -1.26 -4.95 119.30 117.89 2wtj s MET 304 Ca 0.39 -1.49 0.17 0.00 -1.71 0.00 0.00 55.69 53.04 2wtj s MET 304 Cb -0.17 -3.95 1.04 0.00 2.01 0.00 0.00 34.83 33.76 2wtj s MET 304 CO 0.16 -1.04 1.98 0.93 -0.01 0.00 0.00 175.02 177.03 2wtj h GLU 305 N 8.56 0.00 0.00 2.03 5.08 -1.60 -1.91 114.58 126.73 2wtj h GLU 305 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2wtj h GLU 305 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wtj h GLU 305 CO 0.83 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 179.46 2wtj n GLY 306 N -0.83 -1.31 7.00 -3.84 0.00 0.10 -4.64 105.19 101.66 2wtj n GLY 306 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2wtj n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wtj n GLY 307 N 0.26 -0.81 3.80 -0.02 0.00 -0.72 -4.66 105.19 103.05 2wtj n GLY 307 Ca 0.03 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2wtj n GLY 307 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wtj s GLU 308 N 0.00 4.37 0.42 1.61 2.02 -1.26 -0.34 118.70 125.51 2wtj s GLU 308 Ca 0.00 0.98 0.12 0.00 0.02 0.00 0.00 54.97 56.09 2wtj s GLU 308 Cb 0.00 -3.00 0.96 0.00 0.10 0.00 0.00 34.13 32.20 2wtj s GLU 308 CO 0.00 0.45 1.98 1.25 0.02 0.00 0.00 175.26 178.96 2wtj h LEU 309 N 3.70 0.43 -0.84 1.80 5.85 -0.70 -2.35 115.31 123.21 2wtj h LEU 309 Ca -0.48 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.44 2wtj h LEU 309 Cb 1.20 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 2wtj h LEU 309 CO 0.65 0.27 -0.09 0.15 -0.34 0.00 0.00 178.44 179.08 2wtj h PHE 310 N 0.48 -0.23 0.00 1.25 3.57 -1.66 0.19 116.94 120.54 2wtj h PHE 310 Ca 0.27 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2wtj h PHE 310 Cb 0.43 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2wtj h PHE 310 CO -0.00 -0.33 0.00 -0.44 -2.23 0.00 0.00 178.31 175.31 2wtj h ASP 311 N 0.04 0.00 0.92 0.41 3.32 -1.75 -1.28 116.42 118.08 2wtj h ASP 311 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2wtj h ASP 311 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2wtj h ASP 311 CO -0.81 0.00 -0.57 0.29 -1.72 0.00 0.00 179.24 176.43 2wtj n LYS 312 N -2.58 0.29 0.00 3.56 4.76 0.67 -4.29 118.16 120.56 2wtj n LYS 312 Ca -0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2wtj n LYS 312 Cb 0.11 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2wtj n LYS 312 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2wtj n VAL 313 N -2.13 0.00 -1.68 -0.18 0.24 -0.56 -4.19 118.33 109.83 2wtj n VAL 313 Ca 0.03 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.34 61.61 2wtj n VAL 313 Cb 0.44 1.12 0.05 0.00 -1.47 0.00 0.00 33.84 33.98 2wtj n VAL 313 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wtj s VAL 314 N -0.32 3.59 -1.51 3.34 0.11 -0.74 -3.70 120.40 121.17 2wtj s VAL 314 Ca 0.00 0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 59.64 2wtj s VAL 314 Cb 0.00 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.66 2wtj s VAL 314 CO 0.00 -0.55 0.70 0.61 -3.33 0.00 0.00 175.10 172.52 2wtj n GLY 315 N -1.12 -0.51 2.75 6.54 0.00 -1.26 -1.84 105.19 109.75 2wtj n GLY 315 Ca 0.09 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2wtj n GLY 315 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wtj n ASN 316 N -2.55 -5.68 -4.77 1.61 3.02 -1.25 -4.95 115.26 100.70 2wtj n ASN 316 Ca -0.09 0.31 -0.39 0.00 -0.03 0.00 0.00 54.58 54.38 2wtj n ASN 316 Cb 0.61 -4.30 0.01 0.00 -0.61 0.00 0.00 39.78 35.49 2wtj n ASN 316 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wtj s LYS 317 N -3.06 3.77 0.03 3.52 1.02 -0.77 -4.75 119.74 119.50 2wtj s LYS 317 Ca 0.00 2.26 0.03 0.00 0.02 0.00 0.00 55.97 58.29 2wtj s LYS 317 Cb 0.00 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2wtj s LYS 317 CO 0.00 -0.70 -0.10 -0.98 -0.92 0.00 0.00 175.35 172.65 2wtj s ARG 318 N -2.40 0.71 0.26 1.68 1.70 -1.26 -4.37 118.95 115.26 2wtj s ARG 318 Ca 0.60 -0.61 -0.16 0.00 -0.47 0.00 0.00 55.73 55.09 2wtj s ARG 318 Cb -0.40 -0.64 -0.08 0.00 -0.57 0.00 0.00 34.95 33.25 2wtj s ARG 318 CO 0.51 0.16 0.68 -0.51 -1.08 0.00 0.00 175.30 175.07 2wtj s LEU 319 N -0.98 4.20 0.55 -1.89 1.02 -1.17 -5.04 118.68 115.36 2wtj s LEU 319 Ca -0.01 1.25 -0.21 0.00 0.02 0.00 0.00 54.13 55.18 2wtj s LEU 319 Cb -0.07 -3.76 -0.05 0.00 0.02 0.00 0.00 46.19 42.33 2wtj s LEU 319 CO 0.01 -0.07 1.25 -1.59 0.02 0.00 0.00 176.35 175.97 2wtj s LYS 320 N -2.50 3.21 0.31 1.70 -2.85 -1.26 -4.75 119.74 113.60 2wtj s LYS 320 Ca 0.48 1.97 0.05 0.00 -1.00 0.00 0.00 55.97 57.46 2wtj s LYS 320 Cb -0.13 -2.16 0.69 0.00 -2.06 0.00 0.00 37.83 34.17 2wtj s LYS 320 CO 0.19 -1.05 1.83 1.49 0.10 0.00 0.00 175.35 177.91 2wtj h GLU 321 N 1.36 0.81 -0.16 1.78 4.81 -1.94 0.48 114.58 121.73 2wtj h GLU 321 Ca -0.50 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 2wtj h GLU 321 Cb 1.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2wtj h GLU 321 CO 0.57 0.54 -0.20 0.00 -0.73 0.00 0.00 179.01 179.19 2wtj h ALA 322 N 1.58 1.37 -0.06 2.92 0.00 -2.00 -1.12 119.26 121.95 2wtj h ALA 322 Ca 0.50 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2wtj h ALA 322 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2wtj h ALA 322 CO -0.27 0.44 -0.38 1.15 0.00 0.00 0.00 179.25 180.19 2wtj h THR 323 N 0.26 1.42 -0.84 0.00 2.02 -1.31 -2.69 112.91 111.77 2wtj h THR 323 Ca 0.05 -1.80 0.20 0.00 0.77 0.00 0.00 66.41 65.62 2wtj h THR 323 Cb 0.50 2.37 -0.12 0.00 -1.74 0.00 0.00 68.15 69.17 2wtj h THR 323 CO 0.03 0.52 0.31 0.00 0.37 0.00 0.00 175.52 176.75 2wtj h LYS 325 N 0.35 0.96 -0.43 0.00 3.64 -1.12 0.23 116.57 120.21 2wtj h LYS 325 Ca 0.50 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2wtj h LYS 325 Cb 0.92 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2wtj h LYS 325 CO -0.52 1.09 -0.05 1.25 -2.27 0.00 0.00 179.45 178.94 2wtj h LEU 326 N 0.82 0.79 -0.26 5.20 5.85 -1.03 -0.88 115.31 125.80 2wtj h LEU 326 Ca 0.10 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 2wtj h LEU 326 Cb 0.81 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2wtj h LEU 326 CO 0.07 0.94 -0.23 1.88 -0.34 0.00 0.00 178.44 180.75 2wtj h TYR 327 N 0.62 0.73 -0.63 1.25 0.05 -1.17 -3.10 116.97 114.72 2wtj h TYR 327 Ca 0.11 -0.21 -0.09 0.00 0.05 0.00 0.00 58.73 58.59 2wtj h TYR 327 Cb 0.56 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 2wtj h TYR 327 CO 0.04 0.92 0.02 0.35 -1.05 0.00 0.00 178.16 178.45 2wtj h PHE 328 N 0.33 1.18 -0.74 4.88 3.57 -0.46 -1.03 116.94 124.67 2wtj h PHE 328 Ca 0.04 -0.20 0.12 0.00 3.53 0.00 0.00 57.97 61.46 2wtj h PHE 328 Cb 0.79 -0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 2wtj h PHE 328 CO 0.07 1.03 0.34 -0.92 -2.23 0.00 0.00 178.31 176.60 2wtj h TYR 329 N 1.00 0.60 -0.11 0.41 3.20 -1.22 0.12 116.97 120.97 2wtj h TYR 329 Ca 0.18 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 2wtj h TYR 329 Cb 0.54 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2wtj h TYR 329 CO 0.04 0.16 -0.72 1.96 -1.64 0.00 0.00 178.16 177.96 2wtj h GLN 330 N 0.54 0.51 -0.45 1.82 4.20 -1.34 -1.43 115.11 118.96 2wtj h GLN 330 Ca 0.38 -0.40 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2wtj h GLN 330 Cb 0.49 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2wtj h GLN 330 CO -0.33 1.03 0.26 0.52 -0.67 0.00 0.00 178.83 179.64 2wtj h MET 331 N 0.35 0.50 -0.41 1.46 2.86 -0.54 -0.45 114.93 118.70 2wtj h MET 331 Ca -0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2wtj h MET 331 Cb 1.30 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2wtj h MET 331 CO 0.13 0.33 0.27 -0.07 1.06 0.00 0.00 176.91 178.63 2wtj h LEU 332 N 0.52 0.47 -0.76 1.22 3.38 -0.58 0.19 115.31 119.75 2wtj h LEU 332 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wtj h LEU 332 Cb 0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2wtj h LEU 332 CO -0.10 0.34 0.48 -0.07 0.09 0.00 0.00 178.44 179.19 2wtj h LEU 333 N 0.56 0.89 -0.18 1.67 3.38 -0.92 0.24 115.31 120.95 2wtj h LEU 333 Ca 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wtj h LEU 333 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2wtj h LEU 333 CO -0.03 0.67 0.05 0.00 0.09 0.00 0.00 178.44 179.21 2wtj h ALA 334 N 1.26 0.24 -0.26 1.53 0.00 -0.54 -1.07 119.26 120.42 2wtj h ALA 334 Ca 0.28 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2wtj h ALA 334 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wtj h ALA 334 CO -0.06 -0.12 -0.46 0.28 0.00 0.00 0.00 179.25 178.89 2wtj h VAL 335 N 0.11 1.30 -0.67 0.00 2.07 -0.72 -0.22 116.25 118.12 2wtj h VAL 335 Ca 0.06 -1.66 0.06 0.00 0.82 0.00 0.00 66.70 65.98 2wtj h VAL 335 Cb 0.26 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2wtj h VAL 335 CO 0.00 0.53 0.38 -0.61 0.02 0.00 0.00 177.57 177.89 2wtj h GLN 336 N 0.55 0.68 -0.63 1.57 4.15 -0.49 -0.79 115.11 120.15 2wtj h GLN 336 Ca 0.03 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 2wtj h GLN 336 Cb 1.01 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 2wtj h GLN 336 CO 0.10 0.45 0.08 -0.92 -1.93 0.00 0.00 178.83 176.61 2wtj h TYR 337 N 0.70 1.14 0.03 3.99 3.20 -0.58 -1.38 116.97 124.06 2wtj h TYR 337 Ca 0.30 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2wtj h TYR 337 Cb 0.18 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 2wtj h TYR 337 CO -0.07 0.97 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.19 2wtj h LEU 338 N 0.98 -0.45 -0.69 2.82 3.38 -0.55 -2.33 115.31 118.46 2wtj h LEU 338 Ca 0.19 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2wtj h LEU 338 Cb 0.46 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2wtj h LEU 338 CO 0.02 -0.22 0.36 0.45 0.09 0.00 0.00 178.44 179.13 2wtj h HIS 339 N -0.27 0.98 -0.63 1.13 3.86 -0.88 -0.32 115.15 119.02 2wtj h HIS 339 Ca 0.04 -0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 2wtj h HIS 339 Cb 0.33 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2wtj h HIS 339 CO -0.20 0.71 0.42 0.93 0.86 0.00 0.00 177.93 180.65 2wtj h GLU 340 N 0.96 0.44 -0.63 2.45 5.08 -1.21 -1.54 114.58 120.14 2wtj h GLU 340 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2wtj h GLU 340 Cb 0.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2wtj h GLU 340 CO -0.03 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.36 2wtj n ASN 341 N -4.47 3.53 -1.63 1.42 3.02 -0.44 -4.93 115.26 111.76 2wtj n ASN 341 Ca 0.10 -2.36 -0.14 0.00 -0.03 0.00 0.00 54.58 52.15 2wtj n ASN 341 Cb 0.37 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 2wtj n ASN 341 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wtj n GLY 342 N 0.79 -0.21 3.22 7.41 0.00 -0.58 -4.94 105.19 110.88 2wtj n GLY 342 Ca 0.18 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2wtj n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtj s ILE 343 N -2.72 1.90 -0.08 -0.61 1.01 -0.26 -0.20 121.20 120.24 2wtj s ILE 343 Ca 0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 2wtj s ILE 343 Cb -0.00 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2wtj s ILE 343 CO 0.01 0.53 -0.04 -0.63 0.00 0.00 0.00 174.94 174.81 2wtj s ILE 344 N -0.01 3.96 -0.12 2.92 1.01 -0.50 -3.30 121.20 125.16 2wtj s ILE 344 Ca -0.06 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 2wtj s ILE 344 Cb -0.14 -2.64 -0.26 0.00 0.01 0.00 0.00 42.46 39.43 2wtj s ILE 344 CO 0.04 0.60 0.65 -0.74 0.00 0.00 0.00 174.94 175.49 2wtj h HIS 345 N 5.23 0.22 0.00 3.97 -0.00 -1.91 -1.35 115.15 121.31 2wtj h HIS 345 Ca -0.49 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 59.72 2wtj h HIS 345 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2wtj h HIS 345 CO 0.59 1.28 0.00 0.54 -0.00 0.00 0.00 177.93 180.34 2wtj n ARG 346 N -4.32 0.00 -2.54 5.26 1.74 -1.26 -2.99 116.66 112.55 2wtj n ARG 346 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2wtj n ARG 346 Cb 0.69 -2.78 0.05 0.00 -1.02 0.00 0.00 32.46 29.40 2wtj n ARG 346 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wtj n ASP 347 N 0.00 0.91 -4.66 0.55 2.03 -1.26 -5.01 116.55 109.10 2wtj n ASP 347 Ca 0.00 -2.05 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 2wtj n ASP 347 Cb 0.00 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 2wtj n ASP 347 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wtj s LEU 348 N -3.14 4.28 0.15 -2.67 1.43 -1.26 -4.91 118.68 112.56 2wtj s LEU 348 Ca 0.24 2.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.36 2wtj s LEU 348 Cb 0.34 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 2wtj s LEU 348 CO -0.07 -0.85 0.18 -0.54 0.23 0.00 0.00 176.35 175.30 2wtj s LYS 349 N 3.62 1.05 0.59 1.70 1.02 -1.26 -4.84 119.74 121.62 2wtj s LYS 349 Ca 0.67 -1.30 0.28 0.00 0.02 0.00 0.00 55.97 55.65 2wtj s LYS 349 Cb -0.30 0.32 1.61 0.00 -0.52 0.00 0.00 37.83 38.94 2wtj s LYS 349 CO 0.25 -0.35 2.06 -1.35 -0.92 0.00 0.00 175.35 175.04 2wtj h PRO 350 N 2.69 0.00 0.00 -1.68 0.11 -1.94 0.36 132.00 131.54 2wtj h PRO 350 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2wtj h PRO 350 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wtj h PRO 350 CO 0.53 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 2wtj n GLU 351 N -3.81 0.07 -0.20 1.05 0.00 -1.26 -2.01 120.64 114.48 2wtj n GLU 351 Ca 0.03 0.02 0.09 0.00 0.00 0.00 0.00 57.16 57.30 2wtj n GLU 351 Cb 0.39 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.53 2wtj n GLU 351 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2wtj n ASN 352 N -1.46 3.21 -4.39 -1.84 5.03 0.11 -4.85 115.26 111.06 2wtj n ASN 352 Ca 0.08 -1.93 -0.37 0.00 0.87 0.00 0.00 54.58 53.24 2wtj n ASN 352 Cb 0.31 -0.27 -0.13 0.00 -1.02 0.00 0.00 39.78 38.67 2wtj n ASN 352 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wtj s VAL 353 N -1.15 4.06 -0.02 2.41 1.01 -1.13 -1.25 120.40 124.34 2wtj s VAL 353 Ca 0.33 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2wtj s VAL 353 Cb 0.18 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2wtj s VAL 353 CO 0.25 0.25 0.01 -0.76 0.00 0.00 0.00 175.10 174.85 2wtj s LEU 354 N 1.55 3.56 -0.12 3.92 1.43 0.38 -0.61 118.68 128.80 2wtj s LEU 354 Ca 0.05 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2wtj s LEU 354 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2wtj s LEU 354 CO 0.02 0.30 0.08 -0.76 0.23 0.00 0.00 176.35 176.22 2wtj s LEU 355 N -1.46 4.03 0.28 1.79 1.02 0.53 -0.83 118.68 124.03 2wtj s LEU 355 Ca 0.19 0.29 0.25 0.00 0.02 0.00 0.00 54.13 54.88 2wtj s LEU 355 Cb -0.12 -1.97 0.74 0.00 0.02 0.00 0.00 46.19 44.86 2wtj s LEU 355 CO 0.09 0.35 1.74 0.77 0.02 0.00 0.00 176.35 179.32 2wtj h SER 356 N 5.41 0.00 -5.05 2.29 4.64 -1.13 0.34 113.55 120.05 2wtj h SER 356 Ca -0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 2wtj h SER 356 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2wtj h SER 356 CO 0.60 0.00 0.21 -0.94 -0.87 0.00 0.00 176.83 175.83 2wtj s SER 357 N -4.91 0.00 0.08 4.97 1.04 -1.26 -3.56 113.70 110.06 2wtj s SER 357 Ca 0.09 -1.02 0.26 0.00 0.48 0.00 0.00 55.95 55.75 2wtj s SER 357 Cb 0.10 0.80 0.68 0.00 0.10 0.00 0.00 66.02 67.70 2wtj s SER 357 CO 0.59 -1.55 1.57 0.00 0.98 0.00 0.00 173.24 174.83 2wtj n GLN 358 N -0.51 0.14 -2.09 4.02 1.13 -1.26 -3.74 117.38 115.07 2wtj n GLN 358 Ca -0.06 0.07 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 2wtj n GLN 358 Cb 0.60 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2wtj n GLN 358 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2wtj s GLU 359 N -3.07 3.68 0.39 -1.09 0.41 -1.26 -4.93 118.70 112.83 2wtj s GLU 359 Ca 0.10 1.99 0.21 0.00 -0.41 0.00 0.00 54.97 56.86 2wtj s GLU 359 Cb 0.16 -2.48 0.33 0.00 -1.78 0.00 0.00 34.13 30.36 2wtj s GLU 359 CO 0.65 -0.68 1.59 1.05 -0.49 0.00 0.00 175.26 177.38 2wtj h GLU 360 N 2.10 0.00 -5.64 1.61 4.11 -2.04 -3.37 114.58 111.36 2wtj h GLU 360 Ca -0.50 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.30 2wtj h GLU 360 Cb 1.26 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 2wtj h GLU 360 CO 0.60 0.19 0.40 -0.51 0.07 0.00 0.00 179.01 179.76 2wtj s ASP 361 N -6.27 6.33 0.28 3.06 -0.00 -1.26 -4.99 116.67 113.81 2wtj s ASP 361 Ca 0.05 -0.42 -0.21 0.00 -0.00 0.00 0.00 52.55 51.97 2wtj s ASP 361 Cb 0.06 -2.39 0.03 0.00 -0.00 0.00 0.00 42.92 40.62 2wtj s ASP 361 CO 0.69 -1.08 0.76 0.00 -0.00 0.00 0.00 175.17 175.54 2wtj s LEU 363 N -2.94 4.01 0.15 0.00 1.43 -1.26 -4.89 118.68 115.18 2wtj s LEU 363 Ca 0.12 1.36 0.10 0.00 -1.03 0.00 0.00 54.13 54.67 2wtj s LEU 363 Cb -0.05 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2wtj s LEU 363 CO 0.07 -0.26 -0.19 0.27 0.23 0.00 0.00 176.35 176.47 2wtj s ILE 364 N -2.07 2.74 0.02 -0.59 -5.25 -1.26 -0.52 121.20 114.27 2wtj s ILE 364 Ca 0.56 -1.70 0.04 0.00 -0.99 0.00 0.00 60.65 58.56 2wtj s ILE 364 Cb -0.10 -2.29 -0.02 0.00 2.95 0.00 0.00 42.46 43.01 2wtj s ILE 364 CO 0.18 -0.00 -0.13 -0.54 -1.79 0.00 0.00 174.94 172.65 2wtj s LYS 365 N -2.42 0.93 0.25 0.37 1.02 -0.01 -4.32 119.74 115.57 2wtj s LYS 365 Ca 0.20 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.35 2wtj s LYS 365 Cb -0.09 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.21 2wtj s LYS 365 CO 0.11 0.23 0.77 0.42 -0.92 0.00 0.00 175.35 175.96 2wtj s ILE 366 N -0.65 4.51 0.20 2.17 -1.09 -0.12 -0.47 121.20 125.76 2wtj s ILE 366 Ca 0.02 1.36 0.02 0.00 -2.23 0.00 0.00 60.65 59.83 2wtj s ILE 366 Cb -0.07 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 2wtj s ILE 366 CO 0.01 0.15 0.21 1.07 -1.23 0.00 0.00 174.94 175.14 2wtj n THR 367 N 0.56 0.00 -2.74 2.92 5.66 -0.38 -1.80 114.28 118.50 2wtj n THR 367 Ca -0.01 -1.29 -0.01 0.00 -3.05 0.00 0.00 64.05 59.70 2wtj n THR 367 Cb 0.51 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 2wtj n THR 367 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2wtj n ASP 368 N -2.08 -6.70 -1.60 1.09 8.00 -1.26 -4.84 116.55 109.16 2wtj n ASP 368 Ca 0.03 -0.01 0.02 0.00 0.71 0.00 0.00 54.79 55.54 2wtj n ASP 368 Cb 0.35 -4.49 0.28 0.00 -0.02 0.00 0.00 41.12 37.24 2wtj n ASP 368 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wtj n PHE 369 N -1.50 1.67 0.23 1.24 3.01 -1.26 -4.50 117.46 116.35 2wtj n PHE 369 Ca 0.01 -0.68 0.08 0.00 1.01 0.00 0.00 57.45 57.87 2wtj n PHE 369 Cb 0.49 -0.46 0.57 0.00 -0.01 0.00 0.00 39.48 40.07 2wtj n PHE 369 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wtj h GLY 370 N 3.93 0.00 -2.47 1.37 0.00 -1.91 -2.03 103.07 101.97 2wtj h GLY 370 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2wtj h GLY 370 CO 0.43 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.39 2wtj n HIS 371 N -3.95 0.74 -1.19 5.60 8.25 -1.26 -4.67 115.22 118.73 2wtj n HIS 371 Ca -0.02 -0.37 -0.32 0.00 -0.26 0.00 0.00 57.72 56.75 2wtj n HIS 371 Cb 0.28 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.49 2wtj n HIS 371 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wtj s SER 372 N -1.23 4.12 0.09 0.41 0.01 -0.76 -4.63 113.70 111.71 2wtj s SER 372 Ca 0.44 2.00 0.07 0.00 1.31 0.00 0.00 55.95 59.77 2wtj s SER 372 Cb 0.24 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2wtj s SER 372 CO 0.32 -2.29 -0.19 -1.59 0.41 0.00 0.00 173.24 169.90 2wtj s LYS 373 N -4.63 1.05 -0.28 12.44 0.00 -0.51 -4.99 119.74 122.83 2wtj s LYS 373 Ca 0.65 -1.08 -0.10 0.00 0.00 0.00 0.00 55.97 55.44 2wtj s LYS 373 Cb -0.20 -1.23 -0.03 0.00 0.00 0.00 0.00 37.83 36.37 2wtj s LYS 373 CO 0.53 0.28 0.16 0.42 0.00 0.00 0.00 175.35 176.75 2wtj s ILE 374 N -1.16 4.93 0.62 3.79 1.01 -1.26 -1.40 121.20 127.73 2wtj s ILE 374 Ca 0.04 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2wtj s ILE 374 Cb -0.10 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2wtj s ILE 374 CO 0.03 0.22 1.26 -0.76 0.00 0.00 0.00 174.94 175.70 2wtj s LEU 375 N 1.70 3.63 -0.00 2.97 1.43 0.72 -5.02 118.68 124.10 2wtj s LEU 375 Ca 0.06 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2wtj s LEU 375 Cb -0.16 -4.60 0.01 0.00 0.03 0.00 0.00 46.19 41.48 2wtj s LEU 375 CO 0.08 -1.81 0.80 -0.62 0.23 0.00 0.00 176.35 175.04 2wtj n GLU 377 N -1.73 1.05 -0.30 1.70 1.02 -1.26 -5.01 120.64 116.11 2wtj n GLU 377 Ca 0.15 -0.05 0.21 0.00 -0.02 0.00 0.00 57.16 57.44 2wtj n GLU 377 Cb 0.49 -1.23 0.49 0.00 -0.02 0.00 0.00 31.44 31.17 2wtj n GLU 377 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2wtj h THR 378 N 0.08 0.60 0.52 2.62 1.35 -2.00 -0.03 112.91 116.03 2wtj h THR 378 Ca 0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.69 2wtj h THR 378 Cb 0.24 0.13 0.01 0.00 -1.73 0.00 0.00 68.15 66.79 2wtj h THR 378 CO 0.00 0.08 -0.25 0.28 -0.25 0.00 0.00 175.52 175.38 2wtj h SER 379 N 0.43 -0.59 -0.44 5.36 0.02 -2.04 -2.05 113.55 114.23 2wtj h SER 379 Ca 0.55 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.53 2wtj h SER 379 Cb 1.34 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 2wtj h SER 379 CO -0.26 -0.37 0.18 0.25 -1.14 0.00 0.00 176.83 175.50 2wtj h LEU 380 N -0.77 0.23 -0.36 5.07 5.85 -1.51 0.14 115.31 123.97 2wtj h LEU 380 Ca -0.07 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2wtj h LEU 380 Cb 0.57 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2wtj h LEU 380 CO 0.12 0.17 0.13 0.24 -0.34 0.00 0.00 178.44 178.75 2wtj h MET 381 N 0.37 0.27 -0.11 1.25 2.86 -1.07 0.23 114.93 118.73 2wtj h MET 381 Ca 0.20 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2wtj h MET 381 Cb 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2wtj h MET 381 CO -0.18 0.18 0.06 0.07 1.06 0.00 0.00 176.91 178.10 2wtj h ARG 382 N 0.28 0.13 -0.96 1.72 -0.00 -0.98 -1.94 114.38 112.63 2wtj h ARG 382 Ca 0.16 -0.01 0.18 0.00 -0.00 0.00 0.00 59.98 60.31 2wtj h ARG 382 Cb 0.13 -0.03 -0.09 0.00 -0.00 0.00 0.00 29.97 29.99 2wtj h ARG 382 CO -0.16 0.09 0.61 1.15 -0.00 0.00 0.00 179.97 181.65 2wtj h THR 383 N 0.13 0.74 -0.41 0.08 2.02 0.32 -0.10 112.91 115.69 2wtj h THR 383 Ca 0.04 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 2wtj h THR 383 Cb -0.00 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 2wtj h THR 383 CO -0.02 0.12 -0.19 -0.07 0.37 0.00 0.00 175.52 175.73 2wtj h LEU 384 N 0.67 0.80 -7.99 2.58 3.38 0.00 -3.32 115.31 111.42 2wtj h LEU 384 Ca 0.51 -0.27 -0.64 0.00 0.09 0.00 0.00 57.88 57.57 2wtj h LEU 384 Cb 0.91 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 2wtj h LEU 384 CO -0.27 0.98 1.66 0.00 0.09 0.00 0.00 178.44 180.89 2wtj n GLY 386 N 6.11 0.13 3.55 0.00 0.00 -1.25 -4.89 105.19 108.84 2wtj n GLY 386 Ca 0.38 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2wtj n GLY 386 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wtj s THR 387 N -2.01 3.25 0.55 2.61 2.01 -1.26 -4.78 115.64 116.02 2wtj s THR 387 Ca 0.30 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.54 2wtj s THR 387 Cb -0.00 -3.62 0.32 0.00 0.01 0.00 0.00 72.50 69.21 2wtj s THR 387 CO -0.02 -0.59 2.20 -0.65 -0.69 0.00 0.00 174.62 174.87 2wtj h PRO 388 N 14.96 0.00 -0.99 4.92 0.11 -1.91 -2.67 132.00 146.42 2wtj h PRO 388 Ca -0.14 0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.34 2wtj h PRO 388 Cb 1.13 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.06 2wtj h PRO 388 CO 1.18 0.01 0.36 2.41 -0.21 0.00 0.00 178.00 181.75 2wtj n THR 389 N -4.10 -0.42 0.79 -1.15 -1.04 -1.26 -1.29 114.28 105.81 2wtj n THR 389 Ca -0.03 2.07 0.09 0.00 -2.04 0.00 0.00 64.05 64.14 2wtj n THR 389 Cb 0.10 -3.24 0.06 0.00 -1.82 0.00 0.00 70.33 65.43 2wtj n THR 389 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wtj n TYR 390 N -5.32 0.00 -2.02 -1.42 4.01 -1.00 -5.00 117.16 106.41 2wtj n TYR 390 Ca 0.33 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.65 2wtj n TYR 390 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.11 2wtj n TYR 390 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2wtj s LEU 391 N -1.69 4.38 0.32 7.72 2.96 -0.41 -4.98 118.68 126.97 2wtj s LEU 391 Ca 0.21 2.56 -0.27 0.00 -0.22 0.00 0.00 54.13 56.40 2wtj s LEU 391 Cb 0.15 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.15 2wtj s LEU 391 CO 0.28 -0.74 1.05 0.00 -1.32 0.00 0.00 176.35 175.61 2wtj s ALA 392 N 0.79 3.27 0.23 5.97 0.00 -1.26 -4.95 121.76 125.81 2wtj s ALA 392 Ca 0.65 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 2wtj s ALA 392 Cb -0.41 -3.28 0.33 0.00 0.00 0.00 0.00 23.12 19.76 2wtj s ALA 392 CO 0.34 -0.10 1.63 -1.35 0.00 0.00 0.00 175.76 176.29 2wtj h PRO 393 N 3.37 0.06 0.00 0.00 0.11 -2.00 -0.36 132.00 133.18 2wtj h PRO 393 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2wtj h PRO 393 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wtj h PRO 393 CO 0.65 0.04 -0.15 1.05 -0.21 0.00 0.00 178.00 179.38 2wtj h GLU 394 N 0.06 0.00 -0.23 1.05 9.09 -1.99 0.23 114.58 122.80 2wtj h GLU 394 Ca 0.35 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.72 2wtj h GLU 394 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.67 2wtj h GLU 394 CO -0.64 0.15 -0.01 0.28 0.05 0.00 0.00 179.01 178.83 2wtj h VAL 395 N 0.00 1.26 -0.64 -1.06 2.07 -1.45 -1.22 116.25 115.22 2wtj h VAL 395 Ca -0.00 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2wtj h VAL 395 Cb 0.28 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2wtj h VAL 395 CO 0.02 0.29 0.24 -0.07 0.02 0.00 0.00 177.57 178.06 2wtj h LEU 396 N 0.17 0.87 -0.78 2.57 3.38 -1.07 -2.26 115.31 118.19 2wtj h LEU 396 Ca 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2wtj h LEU 396 Cb 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2wtj h LEU 396 CO 0.01 0.79 0.27 0.58 0.09 0.00 0.00 178.44 180.18 2wtj h VAL 397 N 0.92 1.26 0.00 1.22 2.07 -0.88 -2.58 116.25 118.27 2wtj h VAL 397 Ca 0.21 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wtj h VAL 397 Cb 0.21 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2wtj h VAL 397 CO -0.02 0.35 0.00 0.77 0.02 0.00 0.00 177.57 178.70 2wtj h SER 398 N 1.14 0.00 -0.43 0.57 4.64 -0.61 -2.63 113.55 116.23 2wtj h SER 398 Ca 0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2wtj h SER 398 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2wtj h SER 398 CO -0.01 0.00 0.27 0.58 -0.87 0.00 0.00 176.83 176.80 2wtj h VAL 399 N 0.00 1.13 -0.42 0.95 2.07 -1.34 -2.05 116.25 116.59 2wtj h VAL 399 Ca 0.00 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2wtj h VAL 399 Cb 0.17 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2wtj h VAL 399 CO 0.00 0.13 0.29 1.23 0.02 0.00 0.00 177.57 179.24 2wtj h GLY 400 N 0.65 0.34 0.00 2.17 0.00 -1.64 -3.15 103.07 101.43 2wtj h GLY 400 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2wtj h GLY 400 CO -0.03 0.08 -0.38 -1.30 0.00 0.00 0.00 176.54 174.90 2wtj n THR 401 N -4.47 0.00 -1.54 4.70 -2.24 -0.97 -5.04 114.28 104.73 2wtj n THR 401 Ca 0.06 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 2wtj n THR 401 Cb 0.30 0.98 0.06 0.00 -2.10 0.00 0.00 70.33 69.57 2wtj n THR 401 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wtj n ALA 402 N -1.20 -0.05 -0.83 6.98 0.00 -0.81 -3.13 120.51 121.47 2wtj n ALA 402 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wtj n ALA 402 Cb 0.12 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2wtj n ALA 402 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wtj n GLY 403 N 1.28 0.55 0.39 0.00 0.00 -1.26 -4.91 105.19 101.24 2wtj n GLY 403 Ca 0.14 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2wtj n GLY 403 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wtj n TYR 404 N -2.83 0.36 0.09 1.61 4.02 -1.18 -4.69 117.16 114.54 2wtj n TYR 404 Ca 0.00 -0.87 0.11 0.00 -0.01 0.00 0.00 57.90 57.13 2wtj n TYR 404 Cb 0.00 -0.19 0.59 0.00 -0.02 0.00 0.00 39.34 39.73 2wtj n TYR 404 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2wtj h ASN 405 N 0.78 0.14 0.17 7.72 2.35 -1.91 -1.65 115.58 123.17 2wtj h ASN 405 Ca 0.00 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wtj h ASN 405 Cb 1.08 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 2wtj h ASN 405 CO 0.08 0.09 -0.02 0.08 -1.65 0.00 0.00 177.43 176.01 2wtj h ARG 406 N 0.16 0.00 0.00 0.81 0.11 -1.98 -2.30 114.38 111.18 2wtj h ARG 406 Ca 0.14 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 2wtj h ARG 406 Cb 0.34 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2wtj h ARG 406 CO -0.02 0.02 -0.04 0.00 0.10 0.00 0.00 179.97 180.02 2wtj h ALA 407 N 1.98 1.29 -0.55 0.08 0.00 -1.63 -1.97 119.26 118.46 2wtj h ALA 407 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wtj h ALA 407 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wtj h ALA 407 CO 0.00 0.05 0.37 -0.39 0.00 0.00 0.00 179.25 179.28 2wtj h VAL 408 N 0.00 1.05 -0.35 0.00 -1.51 -1.61 -1.52 116.25 112.30 2wtj h VAL 408 Ca -0.00 -0.21 -0.07 0.00 -1.23 0.00 0.00 66.70 65.19 2wtj h VAL 408 Cb 0.15 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.68 2wtj h VAL 408 CO 0.01 0.11 -0.09 0.44 -1.23 0.00 0.00 177.57 176.81 2wtj h ASP 409 N 0.61 0.58 0.10 4.19 3.32 -1.58 -1.40 116.42 122.24 2wtj h ASP 409 Ca 0.22 -0.15 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 2wtj h ASP 409 Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wtj h ASP 409 CO -0.06 0.71 -0.59 0.00 -1.72 0.00 0.00 179.24 177.58 2wtj h TRP 411 N 0.37 -0.05 -0.87 0.00 2.91 -1.07 -1.89 115.95 115.35 2wtj h TRP 411 Ca -0.00 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.09 2wtj h TRP 411 Cb 1.13 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.75 2wtj h TRP 411 CO 0.04 -0.03 0.54 0.77 -1.03 0.00 0.00 178.44 178.73 2wtj h SER 412 N -0.01 0.85 -0.57 2.65 0.02 -1.02 -1.25 113.55 114.22 2wtj h SER 412 Ca 0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2wtj h SER 412 Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2wtj h SER 412 CO -0.06 0.54 0.25 -0.07 -1.14 0.00 0.00 176.83 176.35 2wtj h LEU 413 N 0.98 0.79 -0.44 5.07 3.38 -0.88 -0.49 115.31 123.72 2wtj h LEU 413 Ca 0.38 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2wtj h LEU 413 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2wtj h LEU 413 CO -0.18 0.70 0.08 1.23 0.09 0.00 0.00 178.44 180.36 2wtj h GLY 414 N 0.97 0.78 0.92 0.83 0.00 -0.43 0.99 103.07 107.12 2wtj h GLY 414 Ca 0.21 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2wtj h GLY 414 CO -0.02 0.48 0.12 -2.08 0.00 0.00 0.00 176.54 175.04 2wtj h VAL 415 N 0.59 1.19 -0.52 4.60 2.07 -0.92 0.16 116.25 123.41 2wtj h VAL 415 Ca 0.13 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2wtj h VAL 415 Cb 0.37 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2wtj h VAL 415 CO 0.01 0.21 0.33 0.40 0.02 0.00 0.00 177.57 178.53 2wtj h ILE 416 N 0.39 1.09 -0.62 4.57 2.04 -0.94 -1.12 117.51 122.91 2wtj h ILE 416 Ca 0.11 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2wtj h ILE 416 Cb 0.21 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2wtj h ILE 416 CO -0.01 0.12 0.27 0.25 0.00 0.00 0.00 178.15 178.79 2wtj h LEU 417 N 0.66 0.84 -0.27 1.44 5.85 -0.57 -0.74 115.31 122.51 2wtj h LEU 417 Ca 0.20 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2wtj h LEU 417 Cb -0.02 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2wtj h LEU 417 CO -0.07 0.76 -0.03 0.15 -0.34 0.00 0.00 178.44 178.91 2wtj h PHE 418 N 0.87 -0.07 -0.79 1.25 3.57 -0.56 -0.94 116.94 120.27 2wtj h PHE 418 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2wtj h PHE 418 Cb 0.17 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2wtj h PHE 418 CO 0.01 -0.08 0.33 0.82 -2.23 0.00 0.00 178.31 177.16 2wtj h ILE 419 N 0.05 1.26 -0.28 1.41 2.04 -0.92 -1.55 117.51 119.52 2wtj h ILE 419 Ca 0.13 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 2wtj h ILE 419 Cb 0.18 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2wtj h ILE 419 CO -0.24 0.33 -0.08 0.00 0.00 0.00 0.00 178.15 178.15 2wtj h LEU 421 N 0.31 0.96 0.00 0.00 3.38 -1.10 -3.10 115.31 115.76 2wtj h LEU 421 Ca 0.07 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2wtj h LEU 421 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wtj h LEU 421 CO 0.03 1.01 -1.67 -1.54 0.09 0.00 0.00 178.44 176.36 2wtj n SER 422 N -4.19 2.07 0.00 -0.43 3.41 -0.59 -4.83 113.62 109.06 2wtj n SER 422 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2wtj n SER 422 Cb 0.33 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 2wtj n SER 422 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wtj n GLY 423 N 1.96 0.74 3.08 5.00 0.00 0.77 -4.91 105.19 111.84 2wtj n GLY 423 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2wtj n GLY 423 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wtj s TYR 424 N -2.82 0.21 0.32 1.61 -0.85 -1.25 -3.85 117.35 110.72 2wtj s TYR 424 Ca 0.00 -0.49 -0.28 0.00 -0.52 0.00 0.00 57.07 55.78 2wtj s TYR 424 Cb 0.00 -0.16 -0.10 0.00 0.38 0.00 0.00 41.96 42.09 2wtj s TYR 424 CO 0.00 -0.31 1.16 -1.25 -1.52 0.00 0.00 175.55 173.63 2wtj s PRO 425 N -2.23 4.46 0.26 -3.49 0.04 -1.26 -4.03 135.00 128.75 2wtj s PRO 425 Ca -0.08 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 2wtj s PRO 425 Cb -0.04 -3.06 0.34 0.00 0.04 0.00 0.00 34.50 31.79 2wtj s PRO 425 CO -0.03 0.01 1.75 -1.35 0.04 0.00 0.00 177.00 177.43 2wtj h PRO 426 N 3.47 0.76 -4.76 0.56 0.11 -1.88 -3.42 132.00 126.83 2wtj h PRO 426 Ca -0.48 -0.21 -0.58 0.00 0.11 0.00 0.00 66.00 64.84 2wtj h PRO 426 Cb 1.22 -0.08 -0.34 0.00 0.11 0.00 0.00 31.00 31.90 2wtj h PRO 426 CO 0.66 0.79 -0.84 -0.06 -0.21 0.00 0.00 178.00 178.34 2wtj s PHE 427 N -4.93 1.91 0.13 0.65 0.40 -1.26 -0.06 117.98 114.82 2wtj s PHE 427 Ca -0.09 -0.84 -0.25 0.00 -0.60 0.00 0.00 56.93 55.15 2wtj s PHE 427 Cb 0.14 -1.37 0.07 0.00 0.51 0.00 0.00 43.02 42.38 2wtj s PHE 427 CO 0.81 -0.42 0.90 -1.54 0.70 0.00 0.00 175.22 175.68 2wtj s SER 428 N 0.82 -0.24 0.00 1.36 1.04 -1.26 -5.03 113.70 110.39 2wtj s SER 428 Ca -0.10 -0.32 0.16 0.00 0.48 0.00 0.00 55.95 56.16 2wtj s SER 428 Cb -0.16 0.50 0.56 0.00 0.10 0.00 0.00 66.02 67.02 2wtj s SER 428 CO 0.01 -0.89 1.42 -0.62 0.98 0.00 0.00 173.24 174.14 2wtj n GLU 429 N -0.42 1.69 -2.38 4.02 1.02 -1.26 -4.83 120.64 118.48 2wtj n GLU 429 Ca -0.07 -1.05 -0.43 0.00 -0.02 0.00 0.00 57.16 55.59 2wtj n GLU 429 Cb 0.61 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 2wtj n GLU 429 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2wtj s HIS 430 N -1.70 2.69 -1.22 -0.32 2.46 -1.26 -3.81 115.29 112.12 2wtj s HIS 430 Ca 0.27 0.88 -0.04 0.00 0.47 0.00 0.00 55.06 56.65 2wtj s HIS 430 Cb 0.14 -3.73 -0.01 0.00 -0.13 0.00 0.00 32.58 28.85 2wtj s HIS 430 CO 0.21 -1.88 0.80 0.54 -2.47 0.00 0.00 174.74 171.94 2wtj n ARG 431 N 7.01 -4.36 -3.52 2.88 1.74 -1.26 -5.00 116.66 114.15 2wtj n ARG 431 Ca 0.15 0.68 -0.12 0.00 -0.77 0.00 0.00 57.85 57.79 2wtj n ARG 431 Cb 0.46 -5.29 -0.04 0.00 -1.02 0.00 0.00 32.46 26.57 2wtj n ARG 431 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wtj s THR 432 N -3.54 0.00 -0.68 0.55 -1.32 -1.25 -5.06 115.64 104.34 2wtj s THR 432 Ca 0.13 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.74 2wtj s THR 432 Cb -0.03 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.84 2wtj s THR 432 CO 0.79 0.00 0.56 0.00 -2.21 0.00 0.00 174.62 173.76 2wtj n GLN 433 N 0.39 2.74 -2.63 7.08 6.02 -1.26 -4.94 117.38 124.78 2wtj n GLN 433 Ca -0.13 -0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.34 2wtj n GLN 433 Cb 0.60 -1.10 -0.04 0.00 1.02 0.00 0.00 30.24 30.72 2wtj n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wtj s VAL 434 N -2.09 4.41 0.63 5.09 0.11 -1.26 -5.01 120.40 122.27 2wtj s VAL 434 Ca 0.06 1.88 -0.19 0.00 -2.93 0.00 0.00 61.98 60.79 2wtj s VAL 434 Cb 0.10 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 2wtj s VAL 434 CO 0.48 0.23 1.29 -1.54 -3.33 0.00 0.00 175.10 172.24 2wtj n SER 435 N 3.23 2.15 -0.22 3.54 3.41 -1.26 -4.81 113.62 119.66 2wtj n SER 435 Ca 0.05 0.86 0.01 0.00 -0.26 0.00 0.00 58.87 59.52 2wtj n SER 435 Cb 0.49 -1.55 0.12 0.00 -0.26 0.00 0.00 64.21 63.00 2wtj n SER 435 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wtj h LEU 436 N 0.71 0.32 -0.48 1.04 5.85 -1.95 -1.01 115.31 119.79 2wtj h LEU 436 Ca -0.51 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2wtj h LEU 436 Cb 1.33 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 2wtj h LEU 436 CO 0.54 0.18 0.28 0.50 -0.34 0.00 0.00 178.44 179.60 2wtj h LYS 437 N 0.48 0.55 -0.54 1.25 3.64 -2.00 -1.24 116.57 118.71 2wtj h LYS 437 Ca 0.32 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2wtj h LYS 437 Cb 0.38 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2wtj h LYS 437 CO -0.29 0.36 0.06 -0.44 -2.27 0.00 0.00 179.45 176.87 2wtj h ASP 438 N 0.56 0.83 0.00 4.20 3.32 -1.73 -1.27 116.42 122.33 2wtj h ASP 438 Ca 0.19 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2wtj h ASP 438 Cb 0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2wtj h ASP 438 CO -0.09 0.86 -0.08 1.56 -1.72 0.00 0.00 179.24 179.76 2wtj h GLN 439 N 0.82 -0.13 0.28 3.56 4.20 -0.62 -1.97 115.11 121.25 2wtj h GLN 439 Ca 0.17 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2wtj h GLN 439 Cb 0.40 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2wtj h GLN 439 CO 0.01 -0.09 -0.13 0.82 -0.67 0.00 0.00 178.83 178.77 2wtj h ILE 440 N -0.14 0.76 0.00 2.54 2.04 -0.87 0.34 117.51 122.19 2wtj h ILE 440 Ca 0.03 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2wtj h ILE 440 Cb 0.18 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2wtj h ILE 440 CO -0.08 0.07 -0.26 0.71 0.00 0.00 0.00 178.15 178.59 2wtj h THR 441 N -0.53 0.91 0.00 -0.27 1.35 -1.29 -1.10 112.91 111.98 2wtj h THR 441 Ca -0.04 -0.98 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 2wtj h THR 441 Cb 0.39 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2wtj h THR 441 CO 0.06 0.25 -0.44 0.77 -0.25 0.00 0.00 175.52 175.91 2wtj h SER 442 N 0.00 0.00 -0.02 5.36 4.64 -1.25 -3.48 113.55 118.81 2wtj h SER 442 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wtj h SER 442 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2wtj h SER 442 CO 0.03 0.44 -0.01 0.61 -0.87 0.00 0.00 176.83 177.04 2wtj n GLY 443 N 1.04 0.47 3.47 -0.77 0.00 0.04 -4.96 105.19 104.48 2wtj n GLY 443 Ca 0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2wtj n GLY 443 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtj s LYS 444 N -0.75 3.69 0.61 1.61 3.01 -0.75 -5.01 119.74 122.14 2wtj s LYS 444 Ca 0.00 -1.80 -0.15 0.00 -1.01 0.00 0.00 55.97 53.02 2wtj s LYS 444 Cb 0.00 -5.03 -0.03 0.00 -1.01 0.00 0.00 37.83 31.75 2wtj s LYS 444 CO 0.00 -1.86 1.05 1.52 0.51 0.00 0.00 175.35 176.57 2wtj s TYR 445 N 2.93 3.09 -0.64 3.18 -0.85 -1.26 -4.80 117.35 119.01 2wtj s TYR 445 Ca 0.37 1.48 -0.27 0.00 -0.52 0.00 0.00 57.07 58.13 2wtj s TYR 445 Cb -0.03 -2.94 0.01 0.00 0.38 0.00 0.00 41.96 39.37 2wtj s TYR 445 CO -0.07 -1.03 1.51 1.21 -1.52 0.00 0.00 175.55 175.64 2wtj s ASN 446 N -3.08 5.87 -0.39 -0.18 2.47 0.91 -4.98 114.94 115.56 2wtj s ASN 446 Ca 0.62 0.05 -0.18 0.00 0.42 0.00 0.00 52.86 53.76 2wtj s ASN 446 Cb -0.15 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.12 2wtj s ASN 446 CO 0.41 -1.96 0.50 0.12 -3.72 0.00 0.00 177.10 172.44 2wtj s PHE 447 N 6.88 3.16 -0.59 0.43 5.36 -1.26 -4.85 117.98 127.10 2wtj s PHE 447 Ca 0.51 -0.06 -0.08 0.00 -0.96 0.00 0.00 56.93 56.34 2wtj s PHE 447 Cb -0.10 -2.98 0.15 0.00 -0.34 0.00 0.00 43.02 39.75 2wtj s PHE 447 CO 0.20 -0.65 0.46 0.42 -1.46 0.00 0.00 175.22 174.19 2wtj s ILE 448 N 2.36 4.34 0.35 3.12 1.01 -1.26 -4.97 121.20 126.15 2wtj s ILE 448 Ca 0.17 -2.29 0.12 0.00 0.00 0.00 0.00 60.65 58.65 2wtj s ILE 448 Cb -0.16 -3.81 0.34 0.00 0.01 0.00 0.00 42.46 38.85 2wtj s ILE 448 CO 0.14 -0.86 1.78 -0.65 0.00 0.00 0.00 174.94 175.36 2wtj h PRO 449 N 7.88 0.56 -0.17 2.79 0.11 -1.97 -0.70 132.00 140.49 2wtj h PRO 449 Ca -0.08 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.04 2wtj h PRO 449 Cb 1.03 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 2wtj h PRO 449 CO 0.79 0.37 -0.23 0.93 -0.21 0.00 0.00 178.00 179.65 2wtj h GLU 450 N 0.58 -0.26 -0.35 1.05 3.07 -2.00 0.61 114.58 117.28 2wtj h GLU 450 Ca 0.57 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.40 2wtj h GLU 450 Cb 1.16 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2wtj h GLU 450 CO -0.33 -0.17 0.04 0.28 -1.40 0.00 0.00 179.01 177.43 2wtj h VAL 451 N -0.27 1.24 0.00 3.13 2.07 -1.54 -3.06 116.25 117.83 2wtj h VAL 451 Ca 0.11 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2wtj h VAL 451 Cb 0.44 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2wtj h VAL 451 CO -0.33 0.29 0.00 -0.50 0.02 0.00 0.00 177.57 177.05 2wtj h TRP 452 N 0.42 0.00 -0.88 1.57 4.06 -1.22 -3.07 115.95 116.82 2wtj h TRP 452 Ca 0.10 0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.23 2wtj h TRP 452 Cb 0.38 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.47 2wtj h TRP 452 CO 0.03 0.00 0.58 0.00 -3.56 0.00 0.00 178.44 175.48 2wtj h ALA 453 N 2.30 2.03 0.00 1.49 0.00 -0.77 0.73 119.26 125.04 2wtj h ALA 453 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wtj h ALA 453 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wtj h ALA 453 CO 0.00 -0.30 0.00 0.93 0.00 0.00 0.00 179.25 179.88 2wtj h GLU 454 N 0.53 0.00 -5.92 0.00 3.07 -1.71 -3.45 114.58 107.10 2wtj h GLU 454 Ca 0.46 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.65 2wtj h GLU 454 Cb 0.96 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.75 2wtj h GLU 454 CO -0.19 0.00 -0.58 0.08 -1.40 0.00 0.00 179.01 176.92 2wtj s VAL 455 N -3.38 4.72 0.74 3.13 1.01 0.25 -5.04 120.40 121.83 2wtj s VAL 455 Ca 0.04 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 2wtj s VAL 455 Cb 0.09 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.42 2wtj s VAL 455 CO 0.43 0.51 0.93 -1.54 0.00 0.00 0.00 175.10 175.43 2wtj n SER 456 N 1.74 0.28 0.17 3.32 3.41 -1.26 -4.90 113.62 116.37 2wtj n SER 456 Ca -0.17 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.11 2wtj n SER 456 Cb 0.54 -1.39 0.26 0.00 -0.26 0.00 0.00 64.21 63.36 2wtj n SER 456 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2wtj h GLU 457 N -0.39 0.00 -0.33 4.33 9.09 -1.97 -2.95 114.58 122.35 2wtj h GLU 457 Ca -0.47 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.92 2wtj h GLU 457 Cb 1.33 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.41 2wtj h GLU 457 CO 0.46 0.48 0.11 0.87 0.05 0.00 0.00 179.01 180.98 2wtj h LYS 458 N 0.00 0.51 0.10 1.06 1.57 -1.99 -0.46 116.57 117.35 2wtj h LYS 458 Ca -0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2wtj h LYS 458 Cb 0.98 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2wtj h LYS 458 CO 0.06 0.54 -0.09 0.00 -0.57 0.00 0.00 179.45 179.39 2wtj h ALA 459 N 0.95 -0.17 -0.80 3.86 0.00 -1.91 -2.41 119.26 118.76 2wtj h ALA 459 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wtj h ALA 459 Cb 0.24 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2wtj h ALA 459 CO -0.00 -0.61 0.47 1.25 0.00 0.00 0.00 179.25 180.36 2wtj h LEU 460 N -0.20 0.96 -0.84 0.00 5.85 -1.48 -2.23 115.31 117.38 2wtj h LEU 460 Ca 0.00 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2wtj h LEU 460 Cb 0.19 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2wtj h LEU 460 CO -0.02 0.75 0.55 -0.78 -0.34 0.00 0.00 178.44 178.60 2wtj h ASP 461 N 1.11 0.93 -0.49 1.25 3.58 -0.78 -1.76 116.42 120.25 2wtj h ASP 461 Ca 0.29 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.66 2wtj h ASP 461 Cb -0.03 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 2wtj h ASP 461 CO -0.05 0.65 0.08 0.25 -2.88 0.00 0.00 179.24 177.29 2wtj h LEU 462 N 1.09 0.79 -0.46 2.28 5.85 -0.93 -2.41 115.31 121.53 2wtj h LEU 462 Ca 0.33 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2wtj h LEU 462 Cb -0.05 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 2wtj h LEU 462 CO -0.10 0.85 0.03 0.58 -0.34 0.00 0.00 178.44 179.47 2wtj h VAL 463 N 0.69 0.68 -0.50 1.05 2.07 -1.10 -1.41 116.25 117.74 2wtj h VAL 463 Ca 0.15 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2wtj h VAL 463 Cb 0.40 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2wtj h VAL 463 CO 0.01 0.03 0.33 0.11 0.02 0.00 0.00 177.57 178.07 2wtj h LYS 464 N 0.15 0.53 0.00 1.57 1.57 -0.95 0.43 116.57 119.87 2wtj h LYS 464 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2wtj h LYS 464 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wtj h LYS 464 CO -0.35 0.35 0.00 0.87 -0.57 0.00 0.00 179.45 179.75 2wtj h LYS 465 N 0.55 0.00 0.03 3.15 1.57 -0.80 -3.24 116.57 117.82 2wtj h LYS 465 Ca 0.20 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 2wtj h LYS 465 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2wtj h LYS 465 CO -0.05 0.00 -1.98 1.28 -0.57 0.00 0.00 179.45 178.13 2wtj n LEU 466 N -2.68 1.35 -2.34 2.94 4.77 -0.29 -1.83 117.00 118.90 2wtj n LEU 466 Ca 0.04 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.02 2wtj n LEU 466 Cb 0.45 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2wtj n LEU 466 CO 0.31 0.58 1.53 0.18 -1.33 0.00 0.00 177.39 178.65 2wtj n LEU 467 N -3.12 6.33 -4.73 2.23 4.77 -0.01 -4.24 117.00 118.23 2wtj n LEU 467 Ca -0.26 -3.85 -0.36 0.00 -0.03 0.00 0.00 56.01 51.50 2wtj n LEU 467 Cb 1.07 -1.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2wtj n LEU 467 CO 0.42 1.65 -0.00 -0.69 -1.33 0.00 0.00 177.39 177.44 2wtj s VAL 468 N -1.89 5.29 0.17 4.08 1.01 -1.25 -4.95 120.40 122.86 2wtj s VAL 468 Ca 0.55 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 2wtj s VAL 468 Cb 0.35 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2wtj s VAL 468 CO -0.17 0.40 1.56 0.58 0.00 0.00 0.00 175.10 177.47 2wtj h VAL 469 N 4.65 1.27 -3.30 2.92 2.07 -1.93 -3.41 116.25 118.52 2wtj h VAL 469 Ca -0.42 -1.41 -0.57 0.00 0.82 0.00 0.00 66.70 65.12 2wtj h VAL 469 Cb 1.17 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 2wtj h VAL 469 CO 0.75 0.48 0.92 -0.62 0.02 0.00 0.00 177.57 179.12 2wtj s ASP 470 N -6.76 6.75 0.50 0.57 2.15 -1.26 -4.92 116.67 113.70 2wtj s ASP 470 Ca -0.11 1.02 0.20 0.00 0.43 0.00 0.00 52.55 54.09 2wtj s ASP 470 Cb 0.12 -2.54 1.28 0.00 -0.30 0.00 0.00 42.92 41.48 2wtj s ASP 470 CO 0.86 -1.05 2.08 -0.65 -0.17 0.00 0.00 175.17 176.25 2wtj h PRO 471 N 8.89 0.00 0.00 4.34 0.11 -1.96 -0.90 132.00 142.49 2wtj h PRO 471 Ca -0.24 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.72 2wtj h PRO 471 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2wtj h PRO 471 CO 1.05 0.11 -0.74 0.87 -0.21 0.00 0.00 178.00 179.08 2wtj h LYS 472 N 0.00 0.00 0.00 1.05 1.57 -1.93 -3.21 116.57 114.05 2wtj h LYS 472 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wtj h LYS 472 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2wtj h LYS 472 CO 0.01 0.74 -0.86 0.00 -0.57 0.00 0.00 179.45 178.77 2wtj h ALA 473 N 1.26 0.64 -2.53 3.86 0.00 -1.78 -3.48 119.26 117.24 2wtj h ALA 473 Ca -0.01 -0.23 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 2wtj h ALA 473 Cb 1.36 0.05 0.12 0.00 0.00 0.00 0.00 17.79 19.33 2wtj h ALA 473 CO 0.10 0.26 0.42 -2.13 0.00 0.00 0.00 179.25 177.90 2wtj n ARG 474 N -2.85 1.88 -1.64 0.00 0.63 -0.41 -4.89 116.66 109.38 2wtj n ARG 474 Ca -0.01 0.66 -0.46 0.00 -0.92 0.00 0.00 57.85 57.12 2wtj n ARG 474 Cb 0.63 -2.26 -0.03 0.00 0.45 0.00 0.00 32.46 31.24 2wtj n ARG 474 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wtj n PHE 475 N 0.03 1.95 -2.01 -0.14 3.01 -0.76 -5.02 117.46 114.51 2wtj n PHE 475 Ca 0.06 0.47 -0.28 0.00 1.01 0.00 0.00 57.45 58.71 2wtj n PHE 475 Cb 0.37 -2.42 0.13 0.00 -0.01 0.00 0.00 39.48 37.55 2wtj n PHE 475 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2wtj s THR 476 N 0.11 2.05 0.29 4.37 -4.23 -1.26 -4.87 115.64 112.10 2wtj s THR 476 Ca 0.72 -0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2wtj s THR 476 Cb -0.72 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 70.35 2wtj s THR 476 CO 0.48 0.00 1.89 0.71 -0.54 0.00 0.00 174.62 177.16 2wtj h THR 477 N -1.20 1.22 -0.38 3.99 1.35 -1.95 -1.30 112.91 114.64 2wtj h THR 477 Ca -0.44 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 64.76 2wtj h THR 477 Cb 1.28 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2wtj h THR 477 CO 0.51 0.26 0.13 -0.33 -0.25 0.00 0.00 175.52 175.84 2wtj h GLU 478 N 0.92 0.58 -0.64 4.72 3.07 -1.94 0.16 114.58 121.45 2wtj h GLU 478 Ca 0.22 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2wtj h GLU 478 Cb 0.12 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2wtj h GLU 478 CO -0.03 0.58 0.37 0.93 -1.40 0.00 0.00 179.01 179.47 2wtj h GLU 479 N 0.46 0.88 -0.89 2.33 5.08 -1.89 -1.85 114.58 118.71 2wtj h GLU 479 Ca 0.12 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2wtj h GLU 479 Cb 0.24 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2wtj h GLU 479 CO -0.01 0.65 0.58 0.00 -1.00 0.00 0.00 179.01 179.23 2wtj h ALA 480 N 1.19 1.34 0.00 3.43 0.00 -0.86 -1.98 119.26 122.38 2wtj h ALA 480 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wtj h ALA 480 Cb 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2wtj h ALA 480 CO -0.04 0.60 -0.16 -0.07 0.00 0.00 0.00 179.25 179.58 2wtj h LEU 481 N 1.21 0.00 -1.17 0.00 3.38 -0.39 -2.55 115.31 115.79 2wtj h LEU 481 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2wtj h LEU 481 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wtj h LEU 481 CO -0.07 0.16 -0.05 0.54 0.09 0.00 0.00 178.44 179.11 2wtj n ARG 482 N -3.28 1.73 -2.20 1.13 1.74 -0.75 -4.73 116.66 110.30 2wtj n ARG 482 Ca 0.01 -1.17 -0.39 0.00 -0.77 0.00 0.00 57.85 55.52 2wtj n ARG 482 Cb 0.42 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2wtj n ARG 482 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2wtj s HIS 483 N -2.08 3.06 0.47 -1.55 2.46 -0.88 -4.90 115.29 111.86 2wtj s HIS 483 Ca 0.33 1.49 0.27 0.00 0.47 0.00 0.00 55.06 57.62 2wtj s HIS 483 Cb 0.20 -3.54 1.31 0.00 -0.13 0.00 0.00 32.58 30.43 2wtj s HIS 483 CO 0.36 -1.59 1.80 -1.35 -2.47 0.00 0.00 174.74 171.49 2wtj h PRO 484 N 3.00 0.20 0.00 2.88 0.11 -1.92 0.11 132.00 136.37 2wtj h PRO 484 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2wtj h PRO 484 Cb 1.23 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wtj h PRO 484 CO 0.64 0.13 -0.04 2.35 -0.21 0.00 0.00 178.00 180.87 2wtj h TRP 485 N 0.20 0.00 -0.01 0.65 7.01 -1.91 -2.41 115.95 119.48 2wtj h TRP 485 Ca 0.55 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.55 2wtj h TRP 485 Cb 1.78 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.84 2wtj h TRP 485 CO -0.00 0.04 -0.60 1.28 -2.79 0.00 0.00 178.44 176.37 2wtj n LEU 486 N -3.36 1.49 -4.58 0.65 4.77 0.36 -4.66 117.00 111.66 2wtj n LEU 486 Ca -0.02 -0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 54.92 2wtj n LEU 486 Cb 0.18 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2wtj n LEU 486 CO 0.26 0.30 1.82 -1.10 -1.33 0.00 0.00 177.39 177.33 2wtj s GLN 487 N -2.45 3.49 -0.37 3.23 -1.52 -0.91 -4.80 119.66 116.34 2wtj s GLN 487 Ca 0.13 -1.71 0.02 0.00 -1.95 0.00 0.00 55.36 51.84 2wtj s GLN 487 Cb 0.15 -5.44 0.15 0.00 -0.22 0.00 0.00 33.01 27.65 2wtj s GLN 487 CO 0.61 -2.82 0.30 0.34 -0.25 0.00 0.00 175.29 173.46 2wtj s ASP 488 N 4.98 2.05 0.51 5.90 -1.08 -1.26 -5.01 116.67 122.77 2wtj s ASP 488 Ca 0.59 -2.11 0.24 0.00 -0.52 0.00 0.00 52.55 50.74 2wtj s ASP 488 Cb 0.02 -0.03 1.37 0.00 -1.46 0.00 0.00 42.92 42.82 2wtj s ASP 488 CO 0.09 -0.27 2.07 -0.08 0.52 0.00 0.00 175.17 177.51 2wtj h GLU 489 N 6.78 0.00 0.27 4.34 4.57 -1.99 -1.23 114.58 127.31 2wtj h GLU 489 Ca 0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2wtj h GLU 489 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2wtj h GLU 489 CO 0.25 0.12 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.63 2wtj h ASP 490 N 0.00 -0.30 -0.51 1.04 3.32 -1.99 -0.22 116.42 117.76 2wtj h ASP 490 Ca -0.00 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 56.99 2wtj h ASP 490 Cb 0.28 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 2wtj h ASP 490 CO 0.02 -0.01 0.08 -0.03 -1.72 0.00 0.00 179.24 177.58 2wtj h MET 491 N -0.61 0.21 -0.83 3.56 4.05 -1.72 -0.94 114.93 118.65 2wtj h MET 491 Ca -0.04 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2wtj h MET 491 Cb 0.44 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 2wtj h MET 491 CO 0.06 0.14 0.52 0.87 0.23 0.00 0.00 176.91 178.73 2wtj h LYS 492 N 0.21 1.11 -0.51 0.39 1.57 -1.17 -1.50 116.57 116.68 2wtj h LYS 492 Ca 0.26 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2wtj h LYS 492 Cb 0.37 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2wtj h LYS 492 CO -0.36 0.76 0.33 -0.09 -0.57 0.00 0.00 179.45 179.52 2wtj h ARG 493 N 1.13 0.66 -0.66 3.15 9.65 -0.20 0.27 114.38 128.38 2wtj h ARG 493 Ca 0.30 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.20 2wtj h ARG 493 Cb -0.09 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.29 2wtj h ARG 493 CO -0.06 0.43 0.37 -0.22 2.80 0.00 0.00 179.97 183.29 2wtj h LYS 494 N 0.68 0.66 0.22 0.20 3.64 -0.54 0.28 116.57 121.71 2wtj h LYS 494 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2wtj h LYS 494 Cb -0.07 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2wtj h LYS 494 CO -0.05 0.43 -0.10 0.35 -2.27 0.00 0.00 179.45 177.81 2wtj h PHE 495 N 0.68 -0.27 -0.86 1.91 3.04 -0.73 -0.47 116.94 120.23 2wtj h PHE 495 Ca 0.30 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.35 2wtj h PHE 495 Cb 0.19 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.73 2wtj h PHE 495 CO -0.08 -0.05 0.56 1.96 -2.02 0.00 0.00 178.31 178.67 2wtj h GLN 496 N -0.45 0.74 -0.18 1.11 1.08 -0.59 0.97 115.11 117.80 2wtj h GLN 496 Ca -0.03 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 2wtj h GLN 496 Cb 0.34 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2wtj h GLN 496 CO 0.05 0.49 0.05 -0.44 -0.95 0.00 0.00 178.83 178.03 2wtj h ASP 497 N 0.77 0.28 -0.85 1.46 3.32 -0.11 -2.48 116.42 118.80 2wtj h ASP 497 Ca 0.41 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2wtj h ASP 497 Cb 0.53 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2wtj h ASP 497 CO -0.18 0.43 0.44 -0.07 -1.72 0.00 0.00 179.24 178.15 2wtj h LEU 498 N 0.11 1.09 0.11 1.55 3.38 -0.03 -1.88 115.31 119.64 2wtj h LEU 498 Ca 0.06 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wtj h LEU 498 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2wtj h LEU 498 CO 0.00 0.89 -0.24 -0.07 0.09 0.00 0.00 178.44 179.11 2wtj h LEU 499 N 1.20 -0.68 -0.86 1.67 3.38 -0.71 -1.34 115.31 117.97 2wtj h LEU 499 Ca 0.30 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 2wtj h LEU 499 Cb 0.07 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2wtj h LEU 499 CO -0.04 -0.33 0.43 0.77 0.09 0.00 0.00 178.44 179.36 2wtj h SER 500 N -0.44 1.11 -0.17 -0.43 4.64 -1.20 -2.30 113.55 114.76 2wtj h SER 500 Ca 0.03 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2wtj h SER 500 Cb 0.47 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2wtj h SER 500 CO -0.14 0.92 0.05 -0.08 -0.87 0.00 0.00 176.83 176.71 2wtj h GLU 501 N 1.22 0.12 -0.33 4.77 4.81 -1.14 -1.61 114.58 122.42 2wtj h GLU 501 Ca 0.30 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 2wtj h GLU 501 Cb 0.09 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2wtj h GLU 501 CO -0.04 0.08 0.24 1.49 -0.73 0.00 0.00 179.01 180.05 2wtj h GLU 502 N 0.12 0.00 0.00 1.92 4.81 -0.73 -2.99 114.58 117.72 2wtj h GLU 502 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2wtj h GLU 502 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2wtj h GLU 502 CO -0.09 0.00 -1.20 0.09 -0.73 0.00 0.00 179.01 177.08 2wtj n ASN 503 N -4.40 0.61 -0.34 1.04 3.02 -0.76 -4.37 115.26 110.06 2wtj n ASN 503 Ca 0.05 0.14 0.20 0.00 -0.03 0.00 0.00 54.58 54.93 2wtj n ASN 503 Cb 0.42 0.84 0.44 0.00 -0.61 0.00 0.00 39.78 40.86 2wtj n ASN 503 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2wtj h GLU 504 N 0.00 0.50 0.00 3.52 5.08 -1.16 -0.30 114.58 122.22 2wtj h GLU 504 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2wtj h GLU 504 Cb 0.93 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2wtj h GLU 504 CO 0.00 0.33 0.00 0.43 -1.00 0.00 0.00 179.01 178.77 2wtj n SER 505 N -4.76 0.38 0.00 1.42 7.64 -1.26 -3.24 113.62 113.81 2wtj n SER 505 Ca 0.26 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.71 2wtj n SER 505 Cb 0.79 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2wtj n SER 505 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wtj n THR 506 N -1.89 0.00 -2.28 0.44 -2.24 -0.20 -5.01 114.28 103.09 2wtj n THR 506 Ca 0.04 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 2wtj n THR 506 Cb 0.28 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2wtj n THR 506 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wtj s ALA 507 N -0.23 3.47 0.59 6.98 0.00 -0.71 -5.01 121.76 126.84 2wtj s ALA 507 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 2wtj s ALA 507 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 2wtj s ALA 507 CO 0.00 -1.58 0.97 -0.51 0.00 0.00 0.00 175.76 174.63 2wtj s LEU 508 N 4.29 3.31 0.94 0.00 1.43 -1.26 -5.03 118.68 122.35 2wtj s LEU 508 Ca 0.62 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2wtj s LEU 508 Cb -0.23 -4.23 0.15 0.00 0.03 0.00 0.00 46.19 41.91 2wtj s LEU 508 CO 0.23 -0.84 1.09 -2.16 0.23 0.00 0.00 176.35 174.90 2wtj s PRO 509 N -5.07 0.91 0.28 1.29 0.04 -1.26 -5.06 135.00 126.13 2wtj s PRO 509 Ca 0.53 0.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 2wtj s PRO 509 Cb -0.11 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2wtj s PRO 509 CO 0.51 -2.52 0.55 1.14 0.04 0.00 0.00 177.00 176.71 2wtj s GLN 510 N -4.80 1.69 0.05 4.56 -2.07 -1.26 -5.12 119.66 112.72 2wtj s GLN 510 Ca 0.65 -1.28 -0.30 0.00 -1.82 0.00 0.00 55.36 52.60 2wtj s GLN 510 Cb -0.20 0.50 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 2wtj s GLN 510 CO 0.58 -0.73 1.83 0.08 -1.32 0.00 0.00 175.29 175.73 2wtj s VAL 511 N -3.74 2.98 -1.88 3.63 1.01 -1.26 -5.35 120.40 115.79 2wtj s VAL 511 Ca 0.21 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2wtj s VAL 511 Cb -0.02 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2wtj s VAL 511 CO 0.10 -0.01 0.47 0.00 0.00 0.00 0.00 175.10 175.66