#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx0 h GLN 247 N 0.00 -0.15 0.00 4.33 4.20 -1.93 -3.08 115.11 118.49 3hx0 h GLN 247 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hx0 h GLN 247 Cb 0.00 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hx0 h GLN 247 CO 0.00 -0.10 0.00 1.63 -0.67 0.00 0.00 178.83 179.69 3hx0 n LYS 248 N -3.28 0.00 -2.51 1.46 4.76 -1.26 -4.63 118.16 112.70 3hx0 n LYS 248 Ca -0.02 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.20 3hx0 n LYS 248 Cb 0.10 -1.28 0.06 0.00 -1.84 0.00 0.00 35.03 32.06 3hx0 n LYS 248 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hx0 s ALA 249 N -0.88 3.67 0.38 7.82 0.00 -1.17 -5.07 121.76 126.51 3hx0 s ALA 249 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 51.96 50.41 3hx0 s ALA 249 Cb 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.83 3hx0 s ALA 249 CO 0.00 -1.03 1.05 0.99 0.00 0.00 0.00 175.76 176.78 3hx0 s THR 250 N -2.96 3.70 -0.69 0.00 2.01 -1.26 -4.96 115.64 111.48 3hx0 s THR 250 Ca 0.60 1.35 -0.27 0.00 0.31 0.00 0.00 61.69 63.68 3hx0 s THR 250 Cb -0.09 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.70 3hx0 s THR 250 CO 0.41 0.05 1.53 0.21 -0.69 0.00 0.00 174.62 176.14 3hx0 s ASN 251 N -1.49 5.78 0.11 3.53 3.84 -1.26 -4.82 114.94 120.63 3hx0 s ASN 251 Ca 0.56 -0.13 0.21 0.00 0.21 0.00 0.00 52.86 53.71 3hx0 s ASN 251 Cb -0.23 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 38.77 3hx0 s ASN 251 CO 0.29 -2.07 1.65 1.41 -2.79 0.00 0.00 177.10 175.59 3hx0 n HIS 252 N 10.85 0.39 -2.06 0.43 8.25 -1.26 -3.11 115.22 128.71 3hx0 n HIS 252 Ca 0.11 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.57 3hx0 n HIS 252 Cb 0.50 -0.73 0.06 0.00 1.12 0.00 0.00 29.99 30.94 3hx0 n HIS 252 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hx0 n ASN 253 N -1.85 3.71 -0.14 0.41 3.02 -1.26 -4.51 115.26 114.65 3hx0 n ASN 253 Ca 0.04 -3.49 -0.03 0.00 -0.03 0.00 0.00 54.58 51.06 3hx0 n ASN 253 Cb 0.24 -0.39 0.05 0.00 -0.61 0.00 0.00 39.78 39.07 3hx0 n ASN 253 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hx0 h LEU 254 N 1.96 -0.01 -2.03 3.41 5.85 -1.94 -1.02 115.31 121.52 3hx0 h LEU 254 Ca 0.21 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.13 3hx0 h LEU 254 Cb 1.41 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 3hx0 h LEU 254 CO 0.51 0.03 0.32 1.12 -0.34 0.00 0.00 178.44 180.08 3hx0 h HIS 255 N 0.21 0.00 0.05 1.25 2.07 -1.90 0.94 115.15 117.78 3hx0 h HIS 255 Ca 0.23 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.74 3hx0 h HIS 255 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 3hx0 h HIS 255 CO -0.22 0.00 -0.02 0.82 -3.07 0.00 0.00 177.93 175.43 3hx0 h ILE 256 N 0.00 0.56 -0.77 6.12 2.04 -1.60 -3.36 117.51 120.50 3hx0 h ILE 256 Ca 0.20 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.77 3hx0 h ILE 256 Cb 0.84 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3hx0 h ILE 256 CO -0.00 0.18 0.51 0.71 0.00 0.00 0.00 178.15 179.55 3hx0 h THR 257 N -0.99 1.10 -0.77 -0.27 1.35 -1.08 -2.66 112.91 109.58 3hx0 h THR 257 Ca -0.01 -0.31 0.16 0.00 -0.55 0.00 0.00 66.41 65.70 3hx0 h THR 257 Cb 0.35 0.10 -0.14 0.00 -1.73 0.00 0.00 68.15 66.73 3hx0 h THR 257 CO 0.01 0.17 -0.14 -0.33 -0.25 0.00 0.00 175.52 174.98 3hx0 h GLU 258 N 0.92 0.02 0.02 4.72 5.08 -0.96 0.53 114.58 124.91 3hx0 h GLU 258 Ca 0.31 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3hx0 h GLU 258 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hx0 h GLU 258 CO -0.09 0.02 -0.01 0.87 -1.00 0.00 0.00 179.01 178.79 3hx0 h LYS 259 N 0.02 -0.03 -0.89 2.33 1.57 -1.63 -3.17 116.57 114.78 3hx0 h LYS 259 Ca 0.39 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.34 3hx0 h LYS 259 Cb 0.62 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 3hx0 h LYS 259 CO -0.76 0.69 0.58 -0.07 -0.57 0.00 0.00 179.45 179.32 3hx0 h LEU 260 N -0.81 0.53 -1.61 2.94 3.38 -1.15 0.51 115.31 119.11 3hx0 h LEU 260 Ca -0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3hx0 h LEU 260 Cb 0.73 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3hx0 h LEU 260 CO 0.00 0.24 0.34 -0.08 0.09 0.00 0.00 178.44 179.04 3hx0 h GLU 261 N 0.55 0.48 -0.61 1.13 4.57 0.04 -0.38 114.58 120.36 3hx0 h GLU 261 Ca 0.46 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.54 3hx0 h GLU 261 Cb 0.92 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3hx0 h GLU 261 CO -0.20 0.32 0.12 0.28 -1.18 0.00 0.00 179.01 178.35 3hx0 h VAL 262 N 0.49 1.26 -0.14 0.32 2.07 0.06 -2.42 116.25 117.88 3hx0 h VAL 262 Ca 0.22 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3hx0 h VAL 262 Cb 0.24 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hx0 h VAL 262 CO -0.06 0.36 -0.11 -0.07 0.02 0.00 0.00 177.57 177.71 3hx0 h LEU 263 N 0.91 0.34 -0.54 2.57 3.38 -1.11 -2.16 115.31 118.69 3hx0 h LEU 263 Ca 0.19 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.80 3hx0 h LEU 263 Cb 0.40 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 3hx0 h LEU 263 CO 0.01 0.73 -0.29 0.00 0.09 0.00 0.00 178.44 178.97 3hx0 h ALA 264 N 0.63 0.02 -0.73 1.53 0.00 -0.99 0.14 119.26 119.87 3hx0 h ALA 264 Ca 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hx0 h ALA 264 Cb 0.62 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3hx0 h ALA 264 CO 0.03 -0.63 0.23 0.87 0.00 0.00 0.00 179.25 179.74 3hx0 h LYS 265 N -0.15 1.13 0.51 0.00 1.57 -1.45 -1.97 116.57 116.21 3hx0 h LYS 265 Ca 0.23 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3hx0 h LYS 265 Cb 0.53 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3hx0 h LYS 265 CO -0.63 0.96 -0.42 0.00 -0.57 0.00 0.00 179.45 178.79 3hx0 h ALA 266 N 1.11 -1.14 -0.43 3.86 0.00 -0.26 -1.96 119.26 120.44 3hx0 h ALA 266 Ca 0.23 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3hx0 h ALA 266 Cb 0.31 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hx0 h ALA 266 CO -0.01 -1.14 0.32 1.88 0.00 0.00 0.00 179.25 180.30 3hx0 h TYR 267 N -0.90 0.00 0.67 0.00 0.05 -0.81 -2.70 116.97 113.28 3hx0 h TYR 267 Ca -0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 3hx0 h TYR 267 Cb 0.76 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.50 3hx0 h TYR 267 CO -0.16 0.00 -0.32 1.03 -1.05 0.00 0.00 178.16 177.65 3hx0 h SER 268 N 0.00 -0.76 -0.27 3.88 0.87 -0.71 -0.26 113.55 116.29 3hx0 h SER 268 Ca 0.20 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 3hx0 h SER 268 Cb 0.83 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3hx0 h SER 268 CO -0.00 -0.41 0.18 -0.37 -0.53 0.00 0.00 176.83 175.70 3hx0 h VAL 269 N -1.13 1.00 0.00 2.23 -1.51 -1.16 0.95 116.25 116.63 3hx0 h VAL 269 Ca -0.09 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3hx0 h VAL 269 Cb 0.72 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 3hx0 h VAL 269 CO 0.15 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 3hx0 n GLN 270 N -4.49 0.01 0.00 5.19 6.02 -1.04 -4.85 117.38 118.22 3hx0 n GLN 270 Ca 0.02 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 3hx0 n GLN 270 Cb 0.16 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3hx0 n GLN 270 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hx0 n GLY 271 N -0.03 1.42 3.29 1.08 0.00 0.33 -4.98 105.19 106.30 3hx0 n GLY 271 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3hx0 n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hx0 n ASP 272 N 0.00 2.67 0.22 1.61 -0.08 -0.12 -4.74 116.55 116.10 3hx0 n ASP 272 Ca 0.00 -2.68 -0.17 0.00 -1.51 0.00 0.00 54.79 50.43 3hx0 n ASP 272 Cb 0.00 -1.32 -0.10 0.00 2.34 0.00 0.00 41.12 42.05 3hx0 n ASP 272 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3hx0 h LYS 273 N 8.63 -0.85 -0.51 -0.67 5.09 -1.83 -2.52 116.57 123.90 3hx0 h LYS 273 Ca 0.34 0.06 -0.02 0.00 0.09 0.00 0.00 60.65 61.12 3hx0 h LYS 273 Cb 0.77 0.19 -0.02 0.00 0.10 0.00 0.00 32.23 33.27 3hx0 h LYS 273 CO 1.70 -0.57 0.23 -1.49 -2.09 0.00 0.00 179.45 177.23 3hx0 h TRP 274 N -0.89 0.75 -0.62 0.07 4.06 -1.96 0.30 115.95 117.67 3hx0 h TRP 274 Ca -0.04 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.91 3hx0 h TRP 274 Cb 0.81 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.69 3hx0 h TRP 274 CO -0.33 0.60 0.35 -0.09 -3.56 0.00 0.00 178.44 175.42 3hx0 h ARG 275 N 0.68 0.66 -0.61 0.49 2.43 -1.95 0.35 114.38 116.42 3hx0 h ARG 275 Ca 0.17 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3hx0 h ARG 275 Cb 0.15 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3hx0 h ARG 275 CO -0.02 0.43 0.22 0.00 -1.51 0.00 0.00 179.97 179.10 3hx0 h ALA 276 N 1.30 1.23 -0.89 2.80 0.00 -1.16 -1.45 119.26 121.10 3hx0 h ALA 276 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hx0 h ALA 276 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3hx0 h ALA 276 CO -0.15 0.55 0.50 0.00 0.00 0.00 0.00 179.25 180.16 3hx0 h ALA 277 N 1.35 1.21 0.08 0.00 0.00 0.13 -0.39 119.26 121.64 3hx0 h ALA 277 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hx0 h ALA 277 Cb 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hx0 h ALA 277 CO -0.01 0.65 -0.14 0.78 0.00 0.00 0.00 179.25 180.52 3hx0 h GLY 278 N 1.25 -0.25 0.68 0.00 0.00 0.63 -1.50 103.07 103.89 3hx0 h GLY 278 Ca 0.32 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.85 3hx0 h GLY 278 CO -0.05 -0.14 0.04 -0.97 0.00 0.00 0.00 176.54 175.41 3hx0 h TYR 279 N -0.28 0.06 -0.67 5.60 -1.99 -1.04 -2.10 116.97 116.55 3hx0 h TYR 279 Ca 0.02 0.02 0.14 0.00 2.00 0.00 0.00 58.73 60.91 3hx0 h TYR 279 Cb 0.30 0.01 -0.12 0.00 2.00 0.00 0.00 36.73 38.91 3hx0 h TYR 279 CO -0.16 0.01 -0.13 0.00 -0.00 0.00 0.00 178.16 177.88 3hx0 h ALA 280 N 1.19 0.50 0.08 3.88 0.00 -0.66 0.32 119.26 124.56 3hx0 h ALA 280 Ca 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hx0 h ALA 280 Cb 0.13 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hx0 h ALA 280 CO -0.17 -0.42 -0.04 -0.22 0.00 0.00 0.00 179.25 178.41 3hx0 h LYS 281 N 0.02 -0.10 -0.13 0.00 3.64 -0.73 -1.59 116.57 117.68 3hx0 h LYS 281 Ca 0.33 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.75 3hx0 h LYS 281 Cb 0.52 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3hx0 h LYS 281 CO -0.67 -0.06 -0.05 0.00 -2.27 0.00 0.00 179.45 176.41 3hx0 h ALA 282 N 0.81 0.07 -0.27 5.00 0.00 -0.60 -0.75 119.26 123.53 3hx0 h ALA 282 Ca -0.01 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hx0 h ALA 282 Cb 0.09 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3hx0 h ALA 282 CO 0.02 -0.50 -0.31 0.82 0.00 0.00 0.00 179.25 179.28 3hx0 h ILE 283 N -0.02 0.28 -0.88 0.00 2.04 -0.22 0.11 117.51 118.82 3hx0 h ILE 283 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3hx0 h ILE 283 Cb 0.13 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.43 3hx0 h ILE 283 CO -0.15 0.00 0.57 0.78 0.00 0.00 0.00 178.15 179.35 3hx0 h ASN 284 N -0.30 0.86 -0.14 1.72 2.35 -0.96 0.08 115.58 119.20 3hx0 h ASN 284 Ca 0.14 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hx0 h ASN 284 Cb 0.52 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3hx0 h ASN 284 CO -0.44 0.55 0.09 0.00 -1.65 0.00 0.00 177.43 175.98 3hx0 h ALA 285 N 1.53 0.17 -0.08 -0.83 0.00 0.57 -1.90 119.26 118.73 3hx0 h ALA 285 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hx0 h ALA 285 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hx0 h ALA 285 CO -0.14 -0.34 0.05 -0.07 0.00 0.00 0.00 179.25 178.74 3hx0 h LEU 286 N 0.18 0.09 -0.60 0.00 3.38 0.01 -2.75 115.31 115.62 3hx0 h LEU 286 Ca 0.05 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3hx0 h LEU 286 Cb -0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 3hx0 h LEU 286 CO -0.01 0.11 0.01 0.11 0.09 0.00 0.00 178.44 178.75 3hx0 h LYS 287 N 0.06 0.13 -0.44 1.13 1.57 -0.78 -1.02 116.57 117.22 3hx0 h LYS 287 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hx0 h LYS 287 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hx0 h LYS 287 CO -0.01 0.08 0.00 0.43 -0.57 0.00 0.00 179.45 179.39 3hx0 n SER 288 N -5.26 1.52 -4.70 0.86 7.64 -0.74 -4.39 113.62 108.56 3hx0 n SER 288 Ca 0.08 -2.09 -0.42 0.00 1.01 0.00 0.00 58.87 57.45 3hx0 n SER 288 Cb 0.34 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3hx0 n SER 288 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3hx0 s PHE 289 N -1.64 3.50 0.64 1.43 5.36 -0.39 -4.78 117.98 122.09 3hx0 s PHE 289 Ca 0.14 1.52 0.24 0.00 -0.96 0.00 0.00 56.93 57.87 3hx0 s PHE 289 Cb 0.09 -3.24 1.24 0.00 -0.34 0.00 0.00 43.02 40.77 3hx0 s PHE 289 CO 0.08 -0.51 1.70 1.12 -1.46 0.00 0.00 175.22 176.14 3hx0 h HIS 290 N 7.00 0.00 -4.22 10.12 2.07 -1.90 -3.43 115.15 124.79 3hx0 h HIS 290 Ca -0.37 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 56.95 3hx0 h HIS 290 Cb 1.19 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 31.05 3hx0 h HIS 290 CO 0.70 0.00 -0.37 0.15 -3.07 0.00 0.00 177.93 175.34 3hx0 s LYS 291 N -4.28 1.48 0.20 5.12 3.01 -1.26 -5.04 119.74 118.97 3hx0 s LYS 291 Ca -0.03 -1.56 -0.28 0.00 -1.01 0.00 0.00 55.97 53.10 3hx0 s LYS 291 Cb 0.10 0.37 -0.08 0.00 -1.01 0.00 0.00 37.83 37.21 3hx0 s LYS 291 CO 0.34 -0.56 0.85 -1.25 0.51 0.00 0.00 175.35 175.24 3hx0 s PRO 292 N -3.87 4.71 0.23 -1.68 0.04 -1.26 -4.81 135.00 128.35 3hx0 s PRO 292 Ca 0.32 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3hx0 s PRO 292 Cb 0.03 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 3hx0 s PRO 292 CO 0.14 0.54 1.21 0.54 0.04 0.00 0.00 177.00 179.47 3hx0 s VAL 293 N -1.15 3.40 0.00 -0.36 0.11 -1.26 -4.92 120.40 116.21 3hx0 s VAL 293 Ca 0.38 1.24 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 3hx0 s VAL 293 Cb -0.24 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 3hx0 s VAL 293 CO 0.29 0.23 0.00 0.41 -3.33 0.00 0.00 175.10 172.70 3hx0 n THR 294 N 2.03 0.00 -4.31 5.04 -1.04 -1.26 -5.05 114.28 109.69 3hx0 n THR 294 Ca 0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.87 3hx0 n THR 294 Cb 0.44 0.19 -0.10 0.00 -1.82 0.00 0.00 70.33 69.04 3hx0 n THR 294 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hx0 s SER 295 N -1.49 2.25 0.13 8.00 1.04 -1.26 -5.05 113.70 117.33 3hx0 s SER 295 Ca 0.00 -1.01 -0.18 0.00 0.48 0.00 0.00 55.95 55.24 3hx0 s SER 295 Cb 0.00 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 3hx0 s SER 295 CO 0.00 -0.23 1.76 0.22 0.98 0.00 0.00 173.24 175.97 3hx0 h TYR 296 N 2.67 0.42 -0.38 5.02 3.20 -1.97 -2.66 116.97 123.27 3hx0 h TYR 296 Ca -0.38 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3hx0 h TYR 296 Cb 1.21 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 3hx0 h TYR 296 CO 0.69 0.32 0.25 1.96 -1.64 0.00 0.00 178.16 179.73 3hx0 h GLN 297 N 0.41 0.51 -0.96 1.82 1.08 -1.98 -2.32 115.11 113.68 3hx0 h GLN 297 Ca 0.11 -0.03 0.19 0.00 -1.45 0.00 0.00 58.65 57.47 3hx0 h GLN 297 Cb 0.02 -0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.25 3hx0 h GLN 297 CO -0.02 0.35 0.61 1.49 -0.95 0.00 0.00 178.83 180.30 3hx0 h GLU 298 N 0.52 0.61 -0.29 1.46 4.81 -1.91 -0.52 114.58 119.25 3hx0 h GLU 298 Ca 0.14 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 3hx0 h GLU 298 Cb -0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3hx0 h GLU 298 CO -0.03 0.40 -0.19 0.00 -0.73 0.00 0.00 179.01 178.46 3hx0 h ALA 299 N 1.62 0.41 0.00 2.92 0.00 -1.09 -2.96 119.26 120.15 3hx0 h ALA 299 Ca 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hx0 h ALA 299 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hx0 h ALA 299 CO -0.27 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3hx0 h SER 301 N 0.00 0.00 -3.50 0.00 4.64 -1.27 -3.45 113.55 109.98 3hx0 h SER 301 Ca 0.00 -0.09 -0.60 0.00 -0.47 0.00 0.00 61.79 60.63 3hx0 h SER 301 Cb 0.09 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.08 3hx0 h SER 301 CO 0.00 0.04 0.45 -0.63 -0.87 0.00 0.00 176.83 175.82 3hx0 s ILE 302 N -3.18 4.70 -0.09 0.95 1.01 -0.51 -4.99 121.20 119.08 3hx0 s ILE 302 Ca 0.07 1.03 -0.33 0.00 0.00 0.00 0.00 60.65 61.42 3hx0 s ILE 302 Cb 0.11 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 3hx0 s ILE 302 CO 0.69 -0.43 1.97 -0.81 0.00 0.00 0.00 174.94 176.36 3hx0 n PRO 303 N 6.48 2.24 0.00 2.79 -0.04 -1.26 -1.16 135.00 144.05 3hx0 n PRO 303 Ca 0.04 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 3hx0 n PRO 303 Cb 0.48 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3hx0 n PRO 303 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hx0 n GLY 304 N 4.76 1.41 3.25 0.55 0.00 -1.26 -4.95 105.19 108.95 3hx0 n GLY 304 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3hx0 n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hx0 s ILE 305 N -1.87 2.85 0.53 -0.61 1.01 -0.31 -4.28 121.20 118.52 3hx0 s ILE 305 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3hx0 s ILE 305 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3hx0 s ILE 305 CO 0.00 0.48 0.36 -0.83 0.00 0.00 0.00 174.94 174.95 3hx0 s GLY 306 N 1.27 2.41 0.12 6.18 0.00 -1.26 -4.63 107.32 111.42 3hx0 s GLY 306 Ca 0.03 -1.26 -0.32 0.00 0.00 0.00 0.00 44.72 43.17 3hx0 s GLY 306 CO -0.06 -1.95 1.53 0.50 0.00 0.00 0.00 173.10 173.13 3hx0 h LYS 307 N 0.84 -0.42 -0.67 2.90 1.57 -1.98 0.29 116.57 119.09 3hx0 h LYS 307 Ca -0.38 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3hx0 h LYS 307 Cb 1.30 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 33.58 3hx0 h LYS 307 CO 0.59 -0.28 -0.18 0.00 -0.57 0.00 0.00 179.45 179.01 3hx0 h ARG 308 N -0.44 -0.01 -0.45 3.15 3.08 -1.99 0.60 114.38 118.32 3hx0 h ARG 308 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3hx0 h ARG 308 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3hx0 h ARG 308 CO -0.54 -0.01 0.19 1.98 -1.07 0.00 0.00 179.97 180.53 3hx0 h MET 309 N -0.01 0.67 -0.57 0.04 4.05 -1.72 -2.72 114.93 114.67 3hx0 h MET 309 Ca 0.32 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.63 3hx0 h MET 309 Cb 0.50 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 3hx0 h MET 309 CO -0.70 0.60 0.37 0.00 0.23 0.00 0.00 176.91 177.42 3hx0 h ALA 310 N 1.04 0.72 -0.83 0.39 0.00 0.19 -1.50 119.26 119.26 3hx0 h ALA 310 Ca 0.15 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3hx0 h ALA 310 Cb 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3hx0 h ALA 310 CO -0.01 0.16 0.55 1.05 0.00 0.00 0.00 179.25 181.00 3hx0 h GLU 311 N 0.77 0.44 0.01 0.00 4.11 0.38 0.26 114.58 120.55 3hx0 h GLU 311 Ca 0.21 -0.03 -0.21 0.00 0.07 0.00 0.00 59.36 59.40 3hx0 h GLU 311 Cb -0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3hx0 h GLU 311 CO -0.04 0.29 -0.93 0.87 0.07 0.00 0.00 179.01 179.26 3hx0 h LYS 312 N 0.45 0.26 -0.28 1.06 1.57 -1.06 -2.83 116.57 115.74 3hx0 h LYS 312 Ca 0.42 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3hx0 h LYS 312 Cb 0.95 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3hx0 h LYS 312 CO -0.15 1.02 -0.07 0.82 -0.57 0.00 0.00 179.45 180.50 3hx0 h ILE 313 N 0.14 1.28 -0.87 1.86 2.04 0.31 -2.45 117.51 119.82 3hx0 h ILE 313 Ca -0.06 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 3hx0 h ILE 313 Cb 1.58 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 3hx0 h ILE 313 CO 0.15 0.35 0.53 0.40 0.00 0.00 0.00 178.15 179.57 3hx0 h ILE 314 N 0.30 1.24 0.05 -0.67 2.04 -0.69 -0.21 117.51 119.57 3hx0 h ILE 314 Ca 0.07 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3hx0 h ILE 314 Cb 0.55 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3hx0 h ILE 314 CO 0.03 0.25 -0.02 -0.08 0.00 0.00 0.00 178.15 178.32 3hx0 h GLU 315 N 1.19 -0.06 -0.32 2.37 4.81 -1.38 -1.73 114.58 119.46 3hx0 h GLU 315 Ca 0.31 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3hx0 h GLU 315 Cb -0.06 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3hx0 h GLU 315 CO -0.06 0.08 0.17 0.82 -0.73 0.00 0.00 179.01 179.29 3hx0 h ILE 316 N -0.19 1.14 0.00 2.32 2.04 -1.16 0.55 117.51 122.20 3hx0 h ILE 316 Ca -0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3hx0 h ILE 316 Cb 0.17 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3hx0 h ILE 316 CO 0.01 0.14 0.00 -0.07 0.00 0.00 0.00 178.15 178.23 3hx0 h LEU 317 N 0.39 0.00 0.00 1.44 3.38 -0.98 0.64 115.31 120.18 3hx0 h LEU 317 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 3hx0 h LEU 317 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hx0 h LEU 317 CO -0.02 0.00 -1.77 -0.62 0.09 0.00 0.00 178.44 176.12 3hx0 n GLU 318 N -3.02 1.57 0.00 1.13 1.02 -0.66 -4.68 120.64 116.00 3hx0 n GLU 318 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3hx0 n GLU 318 Cb 0.16 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3hx0 n GLU 318 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3hx0 n SER 319 N -2.32 0.69 0.00 1.62 3.41 0.19 -4.99 113.62 112.22 3hx0 n SER 319 Ca -0.15 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 3hx0 n SER 319 Cb 0.75 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 3hx0 n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hx0 n GLY 320 N 0.26 0.04 3.22 5.00 0.00 0.22 -4.92 105.19 109.01 3hx0 n GLY 320 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3hx0 n GLY 320 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hx0 s HIS 321 N -1.09 -0.38 -0.16 1.61 5.65 -1.26 -4.97 115.29 114.69 3hx0 s HIS 321 Ca 0.00 0.92 -0.09 0.00 0.25 0.00 0.00 55.06 56.14 3hx0 s HIS 321 Cb 0.00 0.13 -0.05 0.00 -1.18 0.00 0.00 32.58 31.49 3hx0 s HIS 321 CO 0.00 -0.19 0.14 -0.48 -0.65 0.00 0.00 174.74 173.56 3hx0 s LEU 322 N 0.32 4.30 0.13 8.88 -0.00 -1.26 -4.37 118.68 126.67 3hx0 s LEU 322 Ca -0.01 0.35 -0.07 0.00 -0.00 0.00 0.00 54.13 54.40 3hx0 s LEU 322 Cb -0.03 -2.09 -0.10 0.00 -0.00 0.00 0.00 46.19 43.97 3hx0 s LEU 322 CO -0.01 0.29 1.31 0.03 -0.00 0.00 0.00 176.35 177.97 3hx0 h ARG 323 N 5.87 0.51 -0.51 1.48 3.08 -1.98 -3.26 114.38 119.57 3hx0 h ARG 323 Ca -0.48 -0.50 0.15 0.00 0.07 0.00 0.00 59.98 59.22 3hx0 h ARG 323 Cb 1.19 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3hx0 h ARG 323 CO 0.68 1.14 0.43 -0.22 -1.07 0.00 0.00 179.97 180.92 3hx0 h LYS 324 N 0.31 0.00 0.00 0.04 1.63 -1.95 -0.59 116.57 116.01 3hx0 h LYS 324 Ca -0.08 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 3hx0 h LYS 324 Cb 1.52 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.14 3hx0 h LYS 324 CO 0.16 0.00 -0.36 -0.07 -3.45 0.00 0.00 179.45 175.73 3hx0 h LEU 325 N 0.00 0.00 -0.24 5.20 3.38 -1.98 -2.50 115.31 119.17 3hx0 h LEU 325 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hx0 h LEU 325 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hx0 h LEU 325 CO -0.00 0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.36 3hx0 n ASP 326 N -4.06 0.37 -2.84 -0.43 8.00 -0.23 -3.96 116.55 113.40 3hx0 n ASP 326 Ca -0.02 -1.30 -0.21 0.00 0.71 0.00 0.00 54.79 53.97 3hx0 n ASP 326 Cb 0.40 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.47 3hx0 n ASP 326 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hx0 n HIS 327 N -0.63 2.23 -4.53 1.24 8.25 -0.94 -5.04 115.22 115.80 3hx0 n HIS 327 Ca 0.19 -3.48 -0.33 0.00 -0.26 0.00 0.00 57.72 53.84 3hx0 n HIS 327 Cb 0.15 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 30.74 3hx0 n HIS 327 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hx0 s ILE 328 N -3.87 2.08 -0.37 1.59 1.01 -1.25 -5.02 121.20 115.37 3hx0 s ILE 328 Ca 0.42 -0.96 -0.42 0.00 0.00 0.00 0.00 60.65 59.69 3hx0 s ILE 328 Cb 0.37 -1.84 -0.18 0.00 0.01 0.00 0.00 42.46 40.81 3hx0 s ILE 328 CO -0.10 0.55 1.37 -1.20 0.00 0.00 0.00 174.94 175.56 3hx0 n SER 329 N 4.21 0.89 -0.42 3.58 7.64 -1.26 -4.66 113.62 123.60 3hx0 n SER 329 Ca -0.20 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.76 3hx0 n SER 329 Cb 0.51 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3hx0 n SER 329 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3hx0 n GLU 330 N 3.21 0.55 0.04 1.43 0.28 -1.26 -0.87 120.64 124.02 3hx0 n GLU 330 Ca 0.26 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.35 3hx0 n GLU 330 Cb -0.03 -1.23 -0.09 0.00 1.43 0.00 0.00 31.44 31.52 3hx0 n GLU 330 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hx0 n SER 331 N 0.10 0.46 -0.03 -1.84 3.41 -1.26 -4.23 113.62 110.23 3hx0 n SER 331 Ca 0.00 0.18 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3hx0 n SER 331 Cb 0.11 1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 65.08 3hx0 n SER 331 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hx0 h VAL 332 N 0.00 1.16 -0.76 -3.33 2.07 -1.33 -2.46 116.25 111.60 3hx0 h VAL 332 Ca -0.05 -0.48 0.17 0.00 0.82 0.00 0.00 66.70 67.17 3hx0 h VAL 332 Cb 1.14 1.21 -0.12 0.00 -1.52 0.00 0.00 31.29 32.00 3hx0 h VAL 332 CO 0.01 0.15 0.14 -0.65 0.02 0.00 0.00 177.57 177.24 3hx0 h PRO 333 N 0.07 0.21 0.11 1.57 0.11 -1.76 0.47 132.00 132.78 3hx0 h PRO 333 Ca 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3hx0 h PRO 333 Cb 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3hx0 h PRO 333 CO -0.00 0.14 -0.05 0.28 -0.21 0.00 0.00 178.00 178.16 3hx0 h VAL 334 N 0.22 0.96 -0.32 3.15 2.07 -1.75 0.36 116.25 120.94 3hx0 h VAL 334 Ca 0.43 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.75 3hx0 h VAL 334 Cb 0.77 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3hx0 h VAL 334 CO -0.57 0.06 0.05 -0.07 0.02 0.00 0.00 177.57 177.06 3hx0 h LEU 335 N -0.26 -0.03 -1.39 2.57 3.38 -0.70 0.38 115.31 119.27 3hx0 h LEU 335 Ca -0.01 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3hx0 h LEU 335 Cb 0.21 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3hx0 h LEU 335 CO 0.02 0.02 0.47 -0.08 0.09 0.00 0.00 178.44 178.97 3hx0 h GLU 336 N 0.15 0.72 -0.13 1.13 4.81 0.04 0.54 114.58 121.84 3hx0 h GLU 336 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3hx0 h GLU 336 Cb 0.18 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3hx0 h GLU 336 CO -0.22 0.47 -0.07 1.25 -0.73 0.00 0.00 179.01 179.72 3hx0 h LEU 337 N 0.74 0.29 0.03 1.64 5.85 0.13 -3.00 115.31 120.99 3hx0 h LEU 337 Ca 0.31 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hx0 h LEU 337 Cb 0.28 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hx0 h LEU 337 CO -0.10 0.64 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.36 3hx0 h PHE 338 N -0.06 -0.04 0.00 1.25 0.05 0.38 -2.96 116.94 115.55 3hx0 h PHE 338 Ca 0.03 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3hx0 h PHE 338 Cb 0.53 0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.49 3hx0 h PHE 338 CO 0.07 0.27 0.00 0.66 -0.18 0.00 0.00 178.31 179.12 3hx0 h SER 339 N -0.35 0.00 0.10 2.17 4.64 -1.02 0.61 113.55 119.69 3hx0 h SER 339 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hx0 h SER 339 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hx0 h SER 339 CO 0.01 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 3hx0 n ASN 340 N -2.98 0.00 -4.78 4.97 5.03 -1.12 -4.62 115.26 111.76 3hx0 n ASN 340 Ca -0.03 -0.43 -0.39 0.00 0.87 0.00 0.00 54.58 54.60 3hx0 n ASN 340 Cb 0.07 -0.08 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3hx0 n ASN 340 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hx0 s ILE 341 N -2.16 4.57 0.20 2.41 1.01 0.20 -5.01 121.20 122.43 3hx0 s ILE 341 Ca 0.26 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 62.11 3hx0 s ILE 341 Cb 0.13 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 3hx0 s ILE 341 CO 0.24 0.50 1.44 0.86 0.00 0.00 0.00 174.94 177.98 3hx0 s TRP 342 N -0.91 3.10 0.00 3.97 -0.00 -1.26 -1.54 118.94 122.30 3hx0 s TRP 342 Ca 0.34 0.97 0.00 0.00 -0.00 0.00 0.00 56.10 57.41 3hx0 s TRP 342 Cb -0.21 -3.78 0.00 0.00 -0.00 0.00 0.00 33.47 29.47 3hx0 s TRP 342 CO 0.23 -2.64 0.00 0.41 -0.00 0.00 0.00 176.95 174.95 3hx0 n GLY 343 N 2.72 0.90 3.29 5.86 0.00 -1.26 -3.50 105.19 113.20 3hx0 n GLY 343 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3hx0 n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx0 s ALA 344 N -3.57 2.72 0.25 4.61 0.00 -0.59 -4.85 121.76 120.34 3hx0 s ALA 344 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3hx0 s ALA 344 Cb 0.00 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.55 3hx0 s ALA 344 CO 0.00 -0.33 0.04 0.41 0.00 0.00 0.00 175.76 175.88 3hx0 n GLY 345 N 4.61 3.74 0.22 0.00 0.00 -1.26 -4.48 105.19 108.02 3hx0 n GLY 345 Ca -0.19 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.61 3hx0 n GLY 345 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hx0 n THR 346 N -0.60 -0.36 0.16 2.61 -1.04 -1.26 0.32 114.28 114.11 3hx0 n THR 346 Ca -0.07 1.54 -0.15 0.00 -2.04 0.00 0.00 64.05 63.33 3hx0 n THR 346 Cb 0.34 -1.93 -0.07 0.00 -1.82 0.00 0.00 70.33 66.85 3hx0 n THR 346 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3hx0 h LYS 347 N 0.00 -0.64 -0.23 -2.82 1.79 -1.96 0.18 116.57 112.88 3hx0 h LYS 347 Ca 0.08 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 3hx0 h LYS 347 Cb 0.22 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 3hx0 h LYS 347 CO -0.50 -0.43 -0.09 1.15 -1.08 0.00 0.00 179.45 178.51 3hx0 h THR 348 N -0.67 0.69 -0.43 -0.16 2.02 -1.50 0.47 112.91 113.34 3hx0 h THR 348 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3hx0 h THR 348 Cb 0.66 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3hx0 h THR 348 CO -0.17 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.01 3hx0 h ALA 349 N 1.17 1.72 -0.21 6.16 0.00 0.08 -1.25 119.26 126.93 3hx0 h ALA 349 Ca 0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3hx0 h ALA 349 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hx0 h ALA 349 CO -0.27 0.26 -0.44 0.37 0.00 0.00 0.00 179.25 179.17 3hx0 h GLN 350 N 0.56 0.66 0.70 0.00 4.15 0.85 -2.85 115.11 119.19 3hx0 h GLN 350 Ca 0.16 -0.44 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 3hx0 h GLN 350 Cb -0.03 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3hx0 h GLN 350 CO -0.04 1.06 -0.50 1.98 -1.93 0.00 0.00 178.83 179.40 3hx0 h MET 351 N 0.36 -1.10 -0.74 1.69 4.05 0.68 -1.26 114.93 118.61 3hx0 h MET 351 Ca 0.00 0.08 0.15 0.00 -0.28 0.00 0.00 59.70 59.65 3hx0 h MET 351 Cb 1.05 0.25 -0.10 0.00 -0.80 0.00 0.00 31.60 31.99 3hx0 h MET 351 CO 0.10 -0.73 0.25 -1.49 0.23 0.00 0.00 176.91 175.26 3hx0 h TRP 352 N -1.14 0.40 -0.62 1.39 6.55 -1.34 -0.71 115.95 120.48 3hx0 h TRP 352 Ca -0.09 0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.76 3hx0 h TRP 352 Cb 0.94 -0.07 -0.03 0.00 -0.86 0.00 0.00 29.16 29.14 3hx0 h TRP 352 CO -0.15 -0.01 0.29 -0.92 -1.05 0.00 0.00 178.44 176.60 3hx0 h TYR 353 N 0.36 0.91 0.00 0.49 5.03 -1.33 -1.22 116.97 121.20 3hx0 h TYR 353 Ca 0.41 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.68 3hx0 h TYR 353 Cb 0.67 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.67 3hx0 h TYR 353 CO -0.21 0.69 0.00 0.94 -1.32 0.00 0.00 178.16 178.26 3hx0 n GLN 354 N -4.49 0.08 -0.23 1.82 7.27 -0.35 -1.54 117.38 119.94 3hx0 n GLN 354 Ca 0.04 0.42 0.12 0.00 0.07 0.00 0.00 57.00 57.65 3hx0 n GLN 354 Cb 0.13 -1.68 0.24 0.00 2.41 0.00 0.00 30.24 31.34 3hx0 n GLN 354 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hx0 n GLN 355 N -1.83 2.57 0.00 3.69 6.02 -0.48 -4.96 117.38 122.39 3hx0 n GLN 355 Ca 0.02 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.62 3hx0 n GLN 355 Cb 0.13 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3hx0 n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hx0 n GLY 356 N 1.55 2.37 3.61 1.08 0.00 -0.59 -5.07 105.19 108.14 3hx0 n GLY 356 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3hx0 n GLY 356 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hx0 n PHE 357 N -0.11 1.26 -0.13 1.61 3.72 -1.09 -4.92 117.46 117.80 3hx0 n PHE 357 Ca 0.00 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 3hx0 n PHE 357 Cb 0.00 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 3hx0 n PHE 357 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3hx0 n ARG 358 N 0.23 0.42 -4.11 -1.08 5.12 -1.26 -4.37 116.66 111.61 3hx0 n ARG 358 Ca 0.09 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.93 3hx0 n ARG 358 Cb 0.38 -0.03 -0.10 0.00 -1.16 0.00 0.00 32.46 31.55 3hx0 n ARG 358 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hx0 s SER 359 N 0.00 0.71 0.62 0.55 1.04 -1.26 -4.86 113.70 110.50 3hx0 s SER 359 Ca 0.00 -0.97 0.37 0.00 0.48 0.00 0.00 55.95 55.83 3hx0 s SER 359 Cb 0.00 0.16 2.05 0.00 0.10 0.00 0.00 66.02 68.33 3hx0 s SER 359 CO 0.00 -0.53 2.27 -0.07 0.98 0.00 0.00 173.24 175.89 3hx0 h LEU 360 N 3.17 0.00 -0.36 2.42 3.38 -1.98 -0.62 115.31 121.33 3hx0 h LEU 360 Ca -0.34 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 3hx0 h LEU 360 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hx0 h LEU 360 CO 0.64 0.02 -0.28 -0.08 0.09 0.00 0.00 178.44 178.83 3hx0 h GLU 361 N 0.00 0.82 0.31 1.13 4.57 -1.96 0.80 114.58 120.25 3hx0 h GLU 361 Ca -0.00 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 3hx0 h GLU 361 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3hx0 h GLU 361 CO 0.00 1.04 -0.15 -0.44 -1.18 0.00 0.00 179.01 178.28 3hx0 h ASP 362 N 0.61 -0.36 -0.79 1.04 3.45 -1.52 -2.94 116.42 115.91 3hx0 h ASP 362 Ca 0.07 -0.05 0.03 0.00 0.43 0.00 0.00 57.03 57.51 3hx0 h ASP 362 Cb 0.85 0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 39.67 3hx0 h ASP 362 CO 0.07 -0.18 0.51 0.40 -1.57 0.00 0.00 179.24 178.47 3hx0 h ILE 363 N -0.51 1.14 0.00 0.35 1.08 -1.45 0.22 117.51 118.34 3hx0 h ILE 363 Ca -0.04 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3hx0 h ILE 363 Cb 0.38 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 3hx0 h ILE 363 CO 0.07 0.18 0.00 0.54 -0.69 0.00 0.00 178.15 178.25 3hx0 n ARG 364 N -4.59 0.12 0.00 2.37 3.00 0.27 -2.52 116.66 115.32 3hx0 n ARG 364 Ca 0.09 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 3hx0 n ARG 364 Cb 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.03 3hx0 n ARG 364 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hx0 n SER 365 N -1.02 0.00 0.00 0.55 3.41 -0.85 -4.94 113.62 110.77 3hx0 n SER 365 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3hx0 n SER 365 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3hx0 n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hx0 n GLN 366 N 0.00 -0.55 -3.95 4.33 6.02 0.72 -5.06 117.38 118.90 3hx0 n GLN 366 Ca 0.00 -0.50 -0.29 0.00 -0.01 0.00 0.00 57.00 56.21 3hx0 n GLN 366 Cb 0.00 -0.92 -0.04 0.00 1.02 0.00 0.00 30.24 30.30 3hx0 n GLN 366 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hx0 s ALA 367 N -0.07 3.95 -0.41 -1.58 0.00 -1.05 -4.97 121.76 117.63 3hx0 s ALA 367 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 3hx0 s ALA 367 Cb 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.38 3hx0 s ALA 367 CO 0.00 0.70 0.89 0.45 0.00 0.00 0.00 175.76 177.79 3hx0 s SER 368 N -2.81 6.56 0.07 0.00 0.15 -1.26 -4.96 113.70 111.44 3hx0 s SER 368 Ca 0.34 0.28 0.05 0.00 0.70 0.00 0.00 55.95 57.33 3hx0 s SER 368 Cb -0.12 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3hx0 s SER 368 CO 0.28 -0.92 -0.07 -0.76 1.20 0.00 0.00 173.24 172.97 3hx0 s LEU 369 N 3.51 3.18 0.28 3.45 1.43 -1.26 -5.10 118.68 124.17 3hx0 s LEU 369 Ca 0.36 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3hx0 s LEU 369 Cb -0.11 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3hx0 s LEU 369 CO 0.22 0.21 0.53 0.42 0.23 0.00 0.00 176.35 177.96 3hx0 s THR 370 N -1.17 5.06 0.41 5.49 -4.23 -1.26 -4.88 115.64 115.07 3hx0 s THR 370 Ca 0.21 -0.06 0.23 0.00 -1.18 0.00 0.00 61.69 60.89 3hx0 s THR 370 Cb -0.11 -3.75 0.43 0.00 1.34 0.00 0.00 72.50 70.41 3hx0 s THR 370 CO 0.13 -0.33 1.70 0.74 -0.54 0.00 0.00 174.62 176.33 3hx0 h THR 371 N 1.32 0.34 0.19 3.99 2.02 -2.00 0.32 112.91 119.09 3hx0 h THR 371 Ca -0.48 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3hx0 h THR 371 Cb 1.19 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3hx0 h THR 371 CO 0.66 0.05 -0.09 1.56 0.37 0.00 0.00 175.52 178.07 3hx0 h GLN 372 N 0.25 -0.24 -0.96 6.66 4.20 -1.91 -3.05 115.11 120.06 3hx0 h GLN 372 Ca 0.70 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.53 3hx0 h GLN 372 Cb 1.98 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 29.73 3hx0 h GLN 372 CO -0.36 0.14 0.59 1.96 -0.67 0.00 0.00 178.83 180.49 3hx0 h GLN 373 N -0.70 0.93 -0.84 1.46 4.20 -1.03 -0.64 115.11 118.49 3hx0 h GLN 373 Ca -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3hx0 h GLN 373 Cb 0.49 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 3hx0 h GLN 373 CO 0.04 0.61 0.49 0.00 -0.67 0.00 0.00 178.83 179.30 3hx0 h ALA 374 N 1.51 1.28 -0.24 3.87 0.00 -1.27 -0.19 119.26 124.23 3hx0 h ALA 374 Ca 0.47 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3hx0 h ALA 374 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hx0 h ALA 374 CO -0.26 0.61 -0.05 0.82 0.00 0.00 0.00 179.25 180.36 3hx0 h ILE 375 N 1.16 1.28 -0.26 0.00 2.04 -1.06 -0.10 117.51 120.58 3hx0 h ILE 375 Ca 0.30 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3hx0 h ILE 375 Cb -0.02 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3hx0 h ILE 375 CO -0.05 0.33 0.17 1.23 0.00 0.00 0.00 178.15 179.82 3hx0 h GLY 376 N 0.20 0.36 1.01 5.37 0.00 -0.67 -1.88 103.07 107.48 3hx0 h GLY 376 Ca 0.06 -0.14 -0.23 0.00 0.00 0.00 0.00 47.33 47.03 3hx0 h GLY 376 CO 0.02 0.13 -0.91 -2.00 0.00 0.00 0.00 176.54 173.79 3hx0 h LEU 377 N 0.35 0.73 -1.59 3.11 5.85 -0.80 -1.75 115.31 121.21 3hx0 h LEU 377 Ca 0.09 -0.79 0.03 0.00 0.84 0.00 0.00 57.88 58.06 3hx0 h LEU 377 Cb -0.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3hx0 h LEU 377 CO -0.02 1.43 0.32 0.50 -0.34 0.00 0.00 178.44 180.32 3hx0 h LYS 378 N 0.12 0.53 -0.42 1.25 3.64 -0.47 -2.01 116.57 119.21 3hx0 h LYS 378 Ca -0.13 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 58.97 3hx0 h LYS 378 Cb 1.61 -0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 33.15 3hx0 h LYS 378 CO 0.18 0.35 -0.16 0.72 -2.27 0.00 0.00 179.45 178.26 3hx0 n HIS 379 N -4.47 1.35 0.14 1.91 8.25 -0.76 -4.83 115.22 116.81 3hx0 n HIS 379 Ca 0.05 -1.78 -0.14 0.00 -0.26 0.00 0.00 57.72 55.59 3hx0 n HIS 379 Cb 0.14 -0.51 -0.08 0.00 1.12 0.00 0.00 29.99 30.65 3hx0 n HIS 379 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3hx0 h TYR 380 N 1.22 -1.28 -0.87 4.41 3.20 -0.53 -1.60 116.97 121.53 3hx0 h TYR 380 Ca 0.25 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.28 3hx0 h TYR 380 Cb 1.54 0.54 -0.07 0.00 1.54 0.00 0.00 36.73 40.28 3hx0 h TYR 380 CO 1.03 -0.53 0.56 0.77 -1.64 0.00 0.00 178.16 178.35 3hx0 h SER 381 N -0.70 0.65 0.42 -2.11 0.02 -1.87 -2.19 113.55 107.76 3hx0 h SER 381 Ca -0.02 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 3hx0 h SER 381 Cb 0.67 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3hx0 h SER 381 CO -0.20 0.34 -0.67 0.44 -1.14 0.00 0.00 176.83 175.61 3hx0 h ASP 382 N 0.70 0.27 0.59 3.07 3.45 -1.82 -3.07 116.42 119.61 3hx0 h ASP 382 Ca 0.43 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3hx0 h ASP 382 Cb 0.66 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3hx0 h ASP 382 CO -0.19 0.86 0.00 0.49 -1.57 0.00 0.00 179.24 178.83 3hx0 n PHE 383 N -3.82 0.00 0.10 4.55 3.72 -0.63 -2.89 117.46 118.49 3hx0 n PHE 383 Ca -0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.39 3hx0 n PHE 383 Cb 0.66 -0.34 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3hx0 n PHE 383 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx0 h LEU 384 N 0.00 0.00 -9.46 4.37 3.38 -1.42 -3.45 115.31 108.73 3hx0 h LEU 384 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3hx0 h LEU 384 Cb 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3hx0 h LEU 384 CO 0.00 0.50 -0.20 -1.61 0.09 0.00 0.00 178.44 177.22 3hx0 s GLU 385 N -2.97 4.16 0.57 1.13 0.41 -1.14 -5.08 118.70 115.77 3hx0 s GLU 385 Ca 0.01 0.36 -0.06 0.00 -0.41 0.00 0.00 54.97 54.87 3hx0 s GLU 385 Cb 0.08 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.07 3hx0 s GLU 385 CO 0.77 0.38 0.89 1.03 -0.49 0.00 0.00 175.26 177.84 3hx0 s ARG 386 N -0.06 3.17 0.17 1.61 0.52 -1.26 -4.95 118.95 118.15 3hx0 s ARG 386 Ca 0.23 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.67 3hx0 s ARG 386 Cb -0.15 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 3hx0 s ARG 386 CO 0.10 -0.55 -0.03 0.00 0.02 0.00 0.00 175.30 174.84 3hx0 s MET 387 N -4.95 2.32 0.37 3.54 0.23 0.26 -4.88 119.30 116.19 3hx0 s MET 387 Ca 0.52 -1.12 -0.27 0.00 -1.03 0.00 0.00 55.69 53.80 3hx0 s MET 387 Cb -0.11 -2.32 -0.09 0.00 -1.53 0.00 0.00 34.83 30.78 3hx0 s MET 387 CO 0.46 0.46 1.22 -2.14 -2.03 0.00 0.00 175.02 172.99 3hx0 s PRO 388 N -2.83 4.16 0.60 3.16 0.02 -1.26 -0.70 135.00 138.14 3hx0 s PRO 388 Ca 0.26 1.99 0.28 0.00 0.02 0.00 0.00 61.00 63.56 3hx0 s PRO 388 Cb -0.09 -2.84 1.33 0.00 0.02 0.00 0.00 34.50 32.92 3hx0 s PRO 388 CO 0.17 -0.27 1.74 -0.09 -0.33 0.00 0.00 177.00 178.22 3hx0 h ARG 389 N 2.93 0.00 0.45 5.54 2.43 -1.65 0.30 114.38 124.39 3hx0 h ARG 389 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 3hx0 h ARG 389 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hx0 h ARG 389 CO 0.64 0.00 -0.22 1.49 -1.51 0.00 0.00 179.97 180.37 3hx0 h GLU 390 N 0.00 -0.59 -0.18 0.20 4.81 -1.89 -1.54 114.58 115.40 3hx0 h GLU 390 Ca 0.27 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3hx0 h GLU 390 Cb 1.60 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 3hx0 h GLU 390 CO -0.00 -0.29 0.12 1.49 -0.73 0.00 0.00 179.01 179.59 3hx0 h GLU 391 N -0.84 0.24 -0.63 1.92 4.81 -0.81 -2.29 114.58 116.98 3hx0 h GLU 391 Ca -0.06 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3hx0 h GLU 391 Cb 0.56 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.79 3hx0 h GLU 391 CO 0.10 0.18 0.08 0.00 -0.73 0.00 0.00 179.01 178.64 3hx0 h ALA 392 N 1.05 0.70 -0.70 2.92 0.00 -1.22 -0.26 119.26 121.76 3hx0 h ALA 392 Ca 0.07 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3hx0 h ALA 392 Cb -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3hx0 h ALA 392 CO -0.01 -0.35 0.40 1.15 0.00 0.00 0.00 179.25 180.43 3hx0 h THR 393 N 0.20 0.97 0.00 0.00 2.02 -0.82 -0.71 112.91 114.57 3hx0 h THR 393 Ca 0.33 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3hx0 h THR 393 Cb 0.53 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3hx0 h THR 393 CO -0.47 0.13 -0.06 -0.08 0.37 0.00 0.00 175.52 175.41 3hx0 h GLU 394 N 0.73 0.00 0.18 6.66 4.81 -0.54 -1.53 114.58 124.89 3hx0 h GLU 394 Ca 0.31 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.28 3hx0 h GLU 394 Cb 0.19 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.59 3hx0 h GLU 394 CO -0.18 0.06 -1.22 0.82 -0.73 0.00 0.00 179.01 177.76 3hx0 h ILE 395 N 0.00 1.31 -0.19 2.32 2.04 -0.31 -2.97 117.51 119.71 3hx0 h ILE 395 Ca -0.00 -2.57 -0.00 0.00 1.00 0.00 0.00 64.86 63.29 3hx0 h ILE 395 Cb 0.32 3.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 3hx0 h ILE 395 CO 0.01 0.76 0.11 -0.08 0.00 0.00 0.00 178.15 178.95 3hx0 h GLU 396 N -0.14 0.26 -0.65 2.37 4.22 -0.96 -2.00 114.58 117.67 3hx0 h GLU 396 Ca -0.23 -0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.30 3hx0 h GLU 396 Cb 1.88 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 31.00 3hx0 h GLU 396 CO 0.18 0.21 0.23 1.96 -2.18 0.00 0.00 179.01 179.41 3hx0 h GLN 397 N 0.23 0.38 0.05 1.92 1.08 -1.39 0.25 115.11 117.63 3hx0 h GLN 397 Ca 0.07 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3hx0 h GLN 397 Cb 0.02 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3hx0 h GLN 397 CO -0.01 0.25 -0.17 1.15 -0.95 0.00 0.00 178.83 179.10 3hx0 h THR 398 N 0.39 0.61 -0.85 -0.54 2.02 -1.27 0.26 112.91 113.53 3hx0 h THR 398 Ca 0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 3hx0 h THR 398 Cb 0.46 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3hx0 h THR 398 CO -0.35 0.00 0.44 0.58 0.37 0.00 0.00 175.52 176.55 3hx0 h VAL 399 N -0.30 1.26 0.68 3.16 2.07 -0.64 -2.07 116.25 120.40 3hx0 h VAL 399 Ca 0.04 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hx0 h VAL 399 Cb 0.34 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3hx0 h VAL 399 CO -0.12 0.30 -0.32 -0.61 0.02 0.00 0.00 177.57 176.83 3hx0 h GLN 400 N 1.21 -0.88 -0.86 1.57 4.15 -0.02 -2.09 115.11 118.19 3hx0 h GLN 400 Ca 0.30 0.06 0.16 0.00 0.77 0.00 0.00 58.65 59.94 3hx0 h GLN 400 Cb 0.07 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 3hx0 h GLN 400 CO -0.04 -0.57 0.56 -0.22 -1.93 0.00 0.00 178.83 176.63 3hx0 h LYS 401 N -1.21 0.53 0.00 1.69 3.64 -0.51 0.34 116.57 121.05 3hx0 h LYS 401 Ca -0.09 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 3hx0 h LYS 401 Cb 0.71 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3hx0 h LYS 401 CO 0.15 0.35 -0.43 0.00 -2.27 0.00 0.00 179.45 177.25 3hx0 h ALA 402 N 1.62 1.20 0.00 5.00 0.00 -1.35 -1.22 119.26 124.51 3hx0 h ALA 402 Ca 0.44 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hx0 h ALA 402 Cb 0.87 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hx0 h ALA 402 CO -0.18 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 3hx0 h ALA 403 N 1.57 0.00 0.00 0.00 0.00 0.23 -3.24 119.26 117.82 3hx0 h ALA 403 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hx0 h ALA 403 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hx0 h ALA 403 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.35 3hx0 n GLN 404 N -4.68 0.09 -0.02 0.00 6.02 0.55 -1.83 117.38 117.51 3hx0 n GLN 404 Ca -0.06 0.24 -0.04 0.00 -0.01 0.00 0.00 57.00 57.13 3hx0 n GLN 404 Cb 0.29 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.22 3hx0 n GLN 404 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hx0 h ALA 405 N 2.33 1.06 -0.15 -1.58 0.00 -1.24 -2.97 119.26 116.71 3hx0 h ALA 405 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3hx0 h ALA 405 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hx0 h ALA 405 CO 0.00 0.57 -0.10 1.97 0.00 0.00 0.00 179.25 181.69 3hx0 n PHE 406 N -4.13 0.52 0.00 0.00 -1.74 -0.76 -4.87 117.46 106.48 3hx0 n PHE 406 Ca 0.00 -1.20 0.00 0.00 -0.56 0.00 0.00 57.45 55.69 3hx0 n PHE 406 Cb 0.40 -0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.10 3hx0 n PHE 406 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 3hx0 n ASN 407 N -1.06 0.00 0.16 5.98 2.85 -1.16 -5.02 115.26 117.01 3hx0 n ASN 407 Ca 0.22 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.80 3hx0 n ASN 407 Cb 0.81 0.00 0.57 0.00 1.24 0.00 0.00 39.78 42.40 3hx0 n ASN 407 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3hx0 n SER 408 N 0.00 0.55 0.07 1.20 3.41 -1.13 -2.16 113.62 115.56 3hx0 n SER 408 Ca 0.00 0.75 -0.04 0.00 -0.26 0.00 0.00 58.87 59.32 3hx0 n SER 408 Cb 0.00 -0.82 0.15 0.00 -0.26 0.00 0.00 64.21 63.28 3hx0 n SER 408 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hx0 h GLY 409 N 0.11 0.32 -4.55 5.00 0.00 -1.94 -3.46 103.07 98.55 3hx0 h GLY 409 Ca 0.00 -0.35 -0.61 0.00 0.00 0.00 0.00 47.33 46.37 3hx0 h GLY 409 CO 0.00 0.32 0.24 1.04 0.00 0.00 0.00 176.54 178.14 3hx0 n LEU 410 N -3.95 2.08 -4.34 3.11 4.77 -0.92 -4.56 117.00 113.19 3hx0 n LEU 410 Ca -0.02 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.79 3hx0 n LEU 410 Cb 0.55 -1.31 -0.14 0.00 -2.33 0.00 0.00 43.42 40.19 3hx0 n LEU 410 CO 0.44 -1.19 -0.41 -0.22 -1.33 0.00 0.00 177.39 174.67 3hx0 s LEU 411 N 0.28 2.81 -0.10 2.23 2.96 0.73 -4.83 118.68 122.76 3hx0 s LEU 411 Ca 0.61 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3hx0 s LEU 411 Cb -0.70 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3hx0 s LEU 411 CO 0.58 0.07 -0.17 0.00 -1.32 0.00 0.00 176.35 175.51 3hx0 s VAL 413 N 0.13 0.16 -0.22 0.00 1.01 -0.36 -4.97 120.40 116.14 3hx0 s VAL 413 Ca -0.09 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 3hx0 s VAL 413 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3hx0 s VAL 413 CO 0.06 0.16 0.86 0.00 0.00 0.00 0.00 175.10 176.18 3hx0 s ALA 414 N 1.29 3.62 0.00 5.51 0.00 -1.26 -0.19 121.76 130.73 3hx0 s ALA 414 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3hx0 s ALA 414 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3hx0 s ALA 414 CO -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 175.76 174.87 3hx0 n GLY 416 N 5.00 1.53 0.35 0.00 0.00 0.53 -2.24 105.19 110.36 3hx0 n GLY 416 Ca 0.00 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.62 3hx0 n GLY 416 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hx0 h SER 417 N 8.48 0.23 0.44 1.61 4.64 -1.87 -2.27 113.55 124.80 3hx0 h SER 417 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3hx0 h SER 417 Cb 0.00 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3hx0 h SER 417 CO 0.00 0.14 -0.27 0.22 -0.87 0.00 0.00 176.83 176.05 3hx0 h TYR 418 N 0.26 -0.71 -0.11 4.77 3.20 -1.77 -2.34 116.97 120.27 3hx0 h TYR 418 Ca 0.23 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3hx0 h TYR 418 Cb 0.57 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3hx0 h TYR 418 CO -0.00 -0.42 -0.02 -0.09 -1.64 0.00 0.00 178.16 175.99 3hx0 h ARG 419 N -0.68 0.16 0.00 1.82 2.43 -1.06 0.15 114.38 117.20 3hx0 h ARG 419 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hx0 h ARG 419 Cb 0.56 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3hx0 h ARG 419 CO 0.05 0.20 0.00 0.54 -1.51 0.00 0.00 179.97 179.25 3hx0 n ARG 420 N -4.42 0.65 -1.72 0.20 1.74 -0.93 -4.52 116.66 107.66 3hx0 n ARG 420 Ca -0.01 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.01 3hx0 n ARG 420 Cb 0.16 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3hx0 n ARG 420 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hx0 n GLY 421 N 0.28 0.42 3.73 -0.13 0.00 0.51 -3.88 105.19 106.13 3hx0 n GLY 421 Ca 0.15 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 3hx0 n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx0 s LYS 422 N -3.55 1.57 0.25 1.61 -0.14 -0.92 -4.95 119.74 113.61 3hx0 s LYS 422 Ca 0.00 1.00 0.24 0.00 -1.36 0.00 0.00 55.97 55.85 3hx0 s LYS 422 Cb 0.00 -1.83 0.33 0.00 -1.68 0.00 0.00 37.83 34.65 3hx0 s LYS 422 CO 0.00 -2.07 1.41 0.00 -0.76 0.00 0.00 175.35 173.93 3hx0 h ALA 423 N -1.44 0.75 -2.61 5.17 0.00 -1.96 -3.45 119.26 115.73 3hx0 h ALA 423 Ca -0.47 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 3hx0 h ALA 423 Cb 1.26 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.88 3hx0 h ALA 423 CO 0.52 0.00 -0.70 0.95 0.00 0.00 0.00 179.25 180.03 3hx0 s THR 424 N -3.22 0.27 -0.01 0.00 -4.23 -1.26 -1.77 115.64 105.42 3hx0 s THR 424 Ca 0.05 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 3hx0 s THR 424 Cb 0.10 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.95 3hx0 s THR 424 CO 0.70 -0.74 -0.09 0.00 -0.54 0.00 0.00 174.62 173.96 3hx0 h GLY 426 N 5.98 0.55 -1.30 0.00 0.00 -1.92 0.77 103.07 107.15 3hx0 h GLY 426 Ca -0.31 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.12 3hx0 h GLY 426 CO 0.50 0.65 0.04 0.51 0.00 0.00 0.00 176.54 178.24 3hx0 s ASP 427 N -6.97 0.58 -0.22 0.19 3.84 -1.26 -4.55 116.67 108.27 3hx0 s ASP 427 Ca -0.07 -1.39 -0.02 0.00 -0.00 0.00 0.00 52.55 51.08 3hx0 s ASP 427 Cb 0.10 0.77 0.02 0.00 -1.38 0.00 0.00 42.92 42.43 3hx0 s ASP 427 CO 0.85 -1.53 -0.09 -0.69 -0.00 0.00 0.00 175.17 173.71 3hx0 s VAL 428 N -2.52 2.80 -0.54 2.11 1.01 -1.09 -4.85 120.40 117.32 3hx0 s VAL 428 Ca 0.24 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3hx0 s VAL 428 Cb -0.03 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.14 3hx0 s VAL 428 CO 0.17 0.34 0.51 -1.81 0.00 0.00 0.00 175.10 174.32 3hx0 s ASP 429 N 1.36 6.19 -0.16 3.32 1.01 -1.26 -1.98 116.67 125.13 3hx0 s ASP 429 Ca 0.03 -1.70 -0.12 0.00 0.71 0.00 0.00 52.55 51.47 3hx0 s ASP 429 Cb -0.15 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 3hx0 s ASP 429 CO -0.06 -0.87 0.24 -0.69 0.21 0.00 0.00 175.17 174.00 3hx0 s VAL 430 N 1.73 5.34 -0.17 -1.27 1.01 0.14 0.11 120.40 127.29 3hx0 s VAL 430 Ca 0.04 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3hx0 s VAL 430 Cb -0.29 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3hx0 s VAL 430 CO 0.04 0.43 -0.06 -0.22 0.00 0.00 0.00 175.10 175.29 3hx0 s LEU 431 N 0.28 3.04 -0.04 3.92 0.20 0.73 -2.10 118.68 124.71 3hx0 s LEU 431 Ca 0.14 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.79 3hx0 s LEU 431 Cb -0.12 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 3hx0 s LEU 431 CO 0.02 0.12 -0.25 -0.63 -0.29 0.00 0.00 176.35 175.32 3hx0 s ILE 432 N 0.66 2.01 0.37 6.68 1.01 -0.03 -1.23 121.20 130.67 3hx0 s ILE 432 Ca -0.03 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 3hx0 s ILE 432 Cb -0.15 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.68 3hx0 s ILE 432 CO 0.02 0.57 0.68 1.07 0.00 0.00 0.00 174.94 177.28 3hx0 n THR 433 N 2.67 0.00 -3.73 2.92 5.66 -0.75 -0.86 114.28 120.19 3hx0 n THR 433 Ca -0.17 -1.22 -0.12 0.00 -3.05 0.00 0.00 64.05 59.50 3hx0 n THR 433 Cb 0.52 1.00 -0.13 0.00 -1.55 0.00 0.00 70.33 70.17 3hx0 n THR 433 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3hx0 s HIS 434 N -2.56 -0.34 0.40 1.09 2.46 -1.26 -0.19 115.29 114.88 3hx0 s HIS 434 Ca 0.20 0.81 0.17 0.00 0.47 0.00 0.00 55.06 56.71 3hx0 s HIS 434 Cb -0.04 0.06 1.05 0.00 -0.13 0.00 0.00 32.58 33.53 3hx0 s HIS 434 CO 0.14 -0.24 1.81 -1.35 -2.47 0.00 0.00 174.74 172.63 3hx0 h PRO 435 N 7.17 0.43 -0.68 2.88 0.11 -1.95 -0.93 132.00 139.03 3hx0 h PRO 435 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hx0 h PRO 435 Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hx0 h PRO 435 CO 0.37 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3hx0 n ASP 436 N -4.59 0.68 -3.01 -2.05 3.85 -1.26 -4.84 116.55 105.34 3hx0 n ASP 436 Ca 0.23 -1.37 -0.19 0.00 -0.71 0.00 0.00 54.79 52.75 3hx0 n ASP 436 Cb 0.77 -0.34 -0.03 0.00 -1.35 0.00 0.00 41.12 40.16 3hx0 n ASP 436 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hx0 n GLY 437 N 0.16 -0.32 0.00 6.12 0.00 -0.35 -4.25 105.19 106.54 3hx0 n GLY 437 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hx0 n GLY 437 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hx0 n ARG 438 N -2.57 0.00 0.00 1.61 1.85 -1.26 -4.77 116.66 111.52 3hx0 n ARG 438 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3hx0 n ARG 438 Cb 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.75 3hx0 n ARG 438 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3hx0 n SER 439 N -1.03 0.00 0.05 2.89 2.88 -1.26 -0.96 113.62 116.18 3hx0 n SER 439 Ca 0.00 0.13 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 3hx0 n SER 439 Cb 0.00 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 3hx0 n SER 439 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3hx0 h HIS 440 N 0.00 0.00 -1.81 0.66 2.07 -1.91 -3.48 115.15 110.69 3hx0 h HIS 440 Ca 0.00 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.86 3hx0 h HIS 440 Cb 0.02 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.04 3hx0 h HIS 440 CO 0.00 0.75 0.64 0.54 -3.07 0.00 0.00 177.93 176.80 3hx0 n ARG 441 N -3.10 1.43 -3.40 5.12 1.74 -0.14 -3.60 116.66 114.72 3hx0 n ARG 441 Ca -0.07 0.52 -0.27 0.00 -0.77 0.00 0.00 57.85 57.26 3hx0 n ARG 441 Cb 0.89 -2.21 0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3hx0 n ARG 441 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hx0 n GLY 442 N 3.10 -0.53 0.00 -0.13 0.00 -1.26 -4.94 105.19 101.43 3hx0 n GLY 442 Ca 0.20 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.24 3hx0 n GLY 442 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hx0 n ILE 443 N -0.81 0.00 -0.32 -0.61 -5.35 -1.24 -4.80 119.36 106.24 3hx0 n ILE 443 Ca -0.08 -0.21 0.04 0.00 -0.27 0.00 0.00 62.75 62.23 3hx0 n ILE 443 Cb 0.63 1.15 0.19 0.00 -1.74 0.00 0.00 39.64 39.87 3hx0 n ILE 443 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 3hx0 h PHE 444 N 0.00 0.95 0.56 4.28 0.04 -1.92 -1.38 116.94 119.47 3hx0 h PHE 444 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3hx0 h PHE 444 Cb 0.08 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 3hx0 h PHE 444 CO 0.00 0.38 -0.47 1.03 -0.60 0.00 0.00 178.31 178.65 3hx0 h SER 445 N 0.86 -1.26 0.02 2.17 0.87 -1.96 0.74 113.55 114.98 3hx0 h SER 445 Ca 0.43 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.08 3hx0 h SER 445 Cb 0.41 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3hx0 h SER 445 CO -0.26 -0.65 -0.00 0.03 -0.53 0.00 0.00 176.83 175.41 3hx0 h ARG 446 N -1.01 0.00 0.00 2.24 3.08 -1.84 -1.52 114.38 115.33 3hx0 h ARG 446 Ca -0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3hx0 h ARG 446 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3hx0 h ARG 446 CO -0.01 0.00 -0.36 1.25 -1.07 0.00 0.00 179.97 179.78 3hx0 h LEU 447 N 0.00 0.00 -1.13 3.04 5.85 -0.63 -3.15 115.31 119.29 3hx0 h LEU 447 Ca -0.00 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.61 3hx0 h LEU 447 Cb 0.01 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3hx0 h LEU 447 CO 0.00 0.80 0.60 -0.07 -0.34 0.00 0.00 178.44 179.43 3hx0 h LEU 448 N -1.00 0.87 -0.27 2.25 3.38 0.55 -1.28 115.31 119.81 3hx0 h LEU 448 Ca -0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hx0 h LEU 448 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3hx0 h LEU 448 CO -0.03 0.51 -0.08 0.44 0.09 0.00 0.00 178.44 179.38 3hx0 h ASP 449 N 0.96 0.53 -0.79 -0.43 3.45 -1.45 -0.90 116.42 117.79 3hx0 h ASP 449 Ca 0.43 -0.37 0.02 0.00 0.43 0.00 0.00 57.03 57.54 3hx0 h ASP 449 Cb 0.37 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 3hx0 h ASP 449 CO -0.19 0.78 0.52 -1.28 -1.57 0.00 0.00 179.24 177.50 3hx0 h SER 450 N 0.28 0.88 0.01 6.45 0.87 -1.34 0.29 113.55 120.98 3hx0 h SER 450 Ca 0.07 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3hx0 h SER 450 Cb 0.56 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3hx0 h SER 450 CO 0.03 0.62 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.87 3hx0 h LEU 451 N 1.03 -0.01 -1.13 2.23 3.38 -1.08 -3.00 115.31 116.72 3hx0 h LEU 451 Ca 0.30 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hx0 h LEU 451 Cb -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hx0 h LEU 451 CO -0.07 0.44 0.59 0.03 0.09 0.00 0.00 178.44 179.51 3hx0 h ARG 452 N -0.47 1.10 0.14 1.13 3.08 -0.80 -2.26 114.38 116.30 3hx0 h ARG 452 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3hx0 h ARG 452 Cb 0.45 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3hx0 h ARG 452 CO 0.00 0.73 -0.49 1.96 -1.07 0.00 0.00 179.97 181.10 3hx0 h GLN 453 N 1.13 -0.68 0.00 0.04 1.08 -0.36 -0.78 115.11 115.54 3hx0 h GLN 453 Ca 0.35 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 3hx0 h GLN 453 Cb 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3hx0 h GLN 453 CO -0.10 -0.46 0.00 -0.85 -0.95 0.00 0.00 178.83 176.47 3hx0 n GLU 454 N -5.22 0.12 0.00 1.46 0.28 -1.14 -4.85 120.64 111.29 3hx0 n GLU 454 Ca -0.08 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 3hx0 n GLU 454 Cb 0.38 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.75 3hx0 n GLU 454 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hx0 n GLY 455 N -0.05 0.65 0.01 -1.84 0.00 -0.30 -4.99 105.19 98.67 3hx0 n GLY 455 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 3hx0 n GLY 455 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hx0 h PHE 456 N 0.00 -0.06 -3.98 1.61 3.57 -1.64 -3.40 116.94 113.04 3hx0 h PHE 456 Ca 0.00 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 3hx0 h PHE 456 Cb 0.00 0.03 0.09 0.00 2.79 0.00 0.00 35.95 38.86 3hx0 h PHE 456 CO 0.00 -0.02 0.59 -0.51 -2.23 0.00 0.00 178.31 176.15 3hx0 s LEU 457 N -5.70 4.09 0.00 0.59 1.43 -1.22 -2.93 118.68 114.94 3hx0 s LEU 457 Ca -0.00 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 3hx0 s LEU 457 Cb 0.00 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.17 3hx0 s LEU 457 CO 0.02 -1.04 0.00 0.35 0.23 0.00 0.00 176.35 175.91 3hx0 n THR 458 N -0.27 0.00 -4.02 5.49 -2.24 0.19 -4.70 114.28 108.74 3hx0 n THR 458 Ca 0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 3hx0 n THR 458 Cb 0.45 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 67.92 3hx0 n THR 458 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hx0 s ASP 459 N -2.40 0.36 -0.07 3.42 1.11 -1.04 -4.98 116.67 113.06 3hx0 s ASP 459 Ca 0.00 -0.90 0.02 0.00 0.18 0.00 0.00 52.55 51.86 3hx0 s ASP 459 Cb 0.00 0.25 0.01 0.00 1.07 0.00 0.00 42.92 44.26 3hx0 s ASP 459 CO 0.00 -0.65 -0.13 -1.81 1.18 0.00 0.00 175.17 173.76 3hx0 s ASP 460 N -2.91 1.92 -0.19 0.27 1.01 -1.26 -1.12 116.67 114.39 3hx0 s ASP 460 Ca 0.07 -0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.00 3hx0 s ASP 460 Cb 0.07 -0.88 -0.11 0.00 1.01 0.00 0.00 42.92 43.01 3hx0 s ASP 460 CO -0.10 0.04 -0.18 0.18 0.21 0.00 0.00 175.17 175.32 3hx0 n LEU 461 N 3.86 2.64 -3.64 1.23 4.77 0.29 -4.92 117.00 121.23 3hx0 n LEU 461 Ca -0.22 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 3hx0 n LEU 461 Cb 0.52 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 3hx0 n LEU 461 CO 0.25 0.72 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.17 3hx0 s VAL 462 N -2.36 -0.36 -0.30 4.08 1.01 0.26 -4.84 120.40 117.88 3hx0 s VAL 462 Ca -0.25 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3hx0 s VAL 462 Cb 0.07 -0.44 0.19 0.00 0.00 0.00 0.00 36.38 36.20 3hx0 s VAL 462 CO 0.40 0.08 0.96 -0.55 0.00 0.00 0.00 175.10 176.00 3hx0 s SER 463 N 2.37 -0.63 -1.35 3.32 0.15 -1.26 -0.63 113.70 115.68 3hx0 s SER 463 Ca 0.03 0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.55 3hx0 s SER 463 Cb -0.13 1.34 0.07 0.00 -1.71 0.00 0.00 66.02 65.59 3hx0 s SER 463 CO -0.08 -0.11 1.90 0.00 1.20 0.00 0.00 173.24 176.14 3hx0 n GLN 464 N 5.04 3.10 0.00 5.44 0.00 -1.26 -4.78 117.38 124.92 3hx0 n GLN 464 Ca 0.08 -3.09 0.11 0.00 0.00 0.00 0.00 57.00 54.10 3hx0 n GLN 464 Cb 0.58 -3.38 0.63 0.00 0.00 0.00 0.00 30.24 28.06 3hx0 n GLN 464 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3hx0 n GLU 465 N 7.29 0.79 -0.08 2.61 1.02 -1.26 -3.51 120.64 127.50 3hx0 n GLU 465 Ca 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.50 3hx0 n GLU 465 Cb 0.43 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 3hx0 n GLU 465 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3hx0 h GLU 466 N 0.00 0.00 -7.09 3.49 5.08 -2.05 -3.46 114.58 110.54 3hx0 h GLU 466 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 3hx0 h GLU 466 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hx0 h GLU 466 CO 0.00 0.77 0.38 1.21 -1.00 0.00 0.00 179.01 180.37 3hx0 s ASN 467 N -6.26 6.35 0.00 1.42 3.84 -1.23 -4.95 114.94 114.10 3hx0 s ASN 467 Ca -0.19 1.88 0.27 0.00 0.21 0.00 0.00 52.86 55.04 3hx0 s ASN 467 Cb 0.00 -2.55 0.94 0.00 -0.55 0.00 0.00 41.25 39.09 3hx0 s ASN 467 CO 0.52 -0.78 1.68 0.61 -2.79 0.00 0.00 177.10 176.35 3hx0 n GLY 468 N -0.42 -0.33 1.53 1.21 0.00 -1.26 -3.85 105.19 102.07 3hx0 n GLY 468 Ca 0.09 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.70 3hx0 n GLY 468 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx0 n GLN 469 N -0.26 3.38 -1.71 1.61 0.00 -1.26 -4.36 117.38 114.78 3hx0 n GLN 469 Ca 0.16 -2.16 -0.41 0.00 0.00 0.00 0.00 57.00 54.59 3hx0 n GLN 469 Cb 0.34 -1.99 0.01 0.00 0.00 0.00 0.00 30.24 28.60 3hx0 n GLN 469 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 3hx0 n GLN 470 N 0.24 2.01 0.04 2.61 7.27 -1.25 -4.95 117.38 123.35 3hx0 n GLN 470 Ca 0.23 0.71 0.00 0.00 0.07 0.00 0.00 57.00 58.01 3hx0 n GLN 470 Cb 0.98 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 31.21 3hx0 n GLN 470 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hx0 n GLN 471 N 0.05 0.00 -3.90 3.69 6.02 -1.26 -4.88 117.38 117.10 3hx0 n GLN 471 Ca 0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 3hx0 n GLN 471 Cb 0.40 -0.41 -0.05 0.00 1.02 0.00 0.00 30.24 31.20 3hx0 n GLN 471 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3hx0 s LYS 472 N -2.00 2.56 -0.10 -1.09 -2.85 -1.26 -2.03 119.74 112.96 3hx0 s LYS 472 Ca 0.00 -1.43 -0.04 0.00 -1.00 0.00 0.00 55.97 53.49 3hx0 s LYS 472 Cb 0.00 -2.34 0.05 0.00 -2.06 0.00 0.00 37.83 33.48 3hx0 s LYS 472 CO 0.00 0.06 0.22 -0.47 0.10 0.00 0.00 175.35 175.26 3hx0 s TYR 473 N -2.38 -0.30 -0.24 1.78 5.04 0.13 -4.72 117.35 116.65 3hx0 s TYR 473 Ca 0.40 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 3hx0 s TYR 473 Cb -0.04 -0.03 0.06 0.00 0.35 0.00 0.00 41.96 42.31 3hx0 s TYR 473 CO 0.25 -0.25 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.65 3hx0 s LEU 474 N 1.60 2.72 0.00 6.97 1.43 0.20 -1.49 118.68 130.11 3hx0 s LEU 474 Ca -0.06 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 3hx0 s LEU 474 Cb -0.11 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.90 3hx0 s LEU 474 CO -0.08 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3hx0 n GLY 475 N 4.64 4.96 2.98 -3.19 0.00 -1.01 0.11 105.19 113.68 3hx0 n GLY 475 Ca -0.11 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 3hx0 n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hx0 s VAL 476 N -1.03 0.55 0.07 1.61 1.01 -0.28 -1.25 120.40 121.10 3hx0 s VAL 476 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3hx0 s VAL 476 Cb 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 3hx0 s VAL 476 CO 0.00 0.16 0.03 0.00 0.00 0.00 0.00 175.10 175.29 3hx0 s ARG 478 N -2.29 0.05 0.88 0.00 3.52 -1.15 -1.70 118.95 118.26 3hx0 s ARG 478 Ca 0.04 0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 55.65 3hx0 s ARG 478 Cb 0.00 0.07 0.12 0.00 -1.56 0.00 0.00 34.95 33.59 3hx0 s ARG 478 CO 0.03 -0.02 1.10 -0.51 -0.81 0.00 0.00 175.30 175.09 3hx0 s LEU 479 N 2.17 2.61 0.64 -0.88 1.43 -1.26 -4.72 118.68 118.68 3hx0 s LEU 479 Ca -0.01 1.84 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 3hx0 s LEU 479 Cb -0.02 -4.31 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 3hx0 s LEU 479 CO -0.15 -2.69 1.09 -2.84 0.23 0.00 0.00 176.35 171.99 3hx0 s PRO 480 N -4.79 2.93 0.00 1.29 0.02 -1.26 -4.88 135.00 128.30 3hx0 s PRO 480 Ca 0.64 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.99 3hx0 s PRO 480 Cb -0.20 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3hx0 s PRO 480 CO 0.58 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3hx0 n GLY 481 N -0.69 2.52 3.82 0.52 0.00 -1.26 -4.99 105.19 105.11 3hx0 n GLY 481 Ca 0.10 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3hx0 n GLY 481 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hx0 s PRO 482 N -2.27 4.24 -1.13 1.61 0.04 -1.26 -4.12 135.00 132.11 3hx0 s PRO 482 Ca 0.00 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 3hx0 s PRO 482 Cb 0.00 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.28 3hx0 s PRO 482 CO 0.00 0.02 0.96 0.41 0.04 0.00 0.00 177.00 178.43 3hx0 n GLY 483 N -0.49 -0.28 3.73 0.56 0.00 -1.26 -5.00 105.19 102.45 3hx0 n GLY 483 Ca 0.06 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3hx0 n GLY 483 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx0 s ARG 484 N -6.06 3.88 0.35 1.61 1.81 -1.26 -5.10 118.95 114.18 3hx0 s ARG 484 Ca 0.48 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.25 3hx0 s ARG 484 Cb -0.21 -3.27 -0.03 0.00 -0.45 0.00 0.00 34.95 30.99 3hx0 s ARG 484 CO 0.59 0.43 0.55 1.03 -0.68 0.00 0.00 175.30 177.21 3hx0 s ARG 485 N -0.04 3.45 -0.15 3.54 0.52 -1.26 -5.02 118.95 119.99 3hx0 s ARG 485 Ca 0.09 -0.37 -0.26 0.00 -0.52 0.00 0.00 55.73 54.66 3hx0 s ARG 485 Cb -0.12 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 3hx0 s ARG 485 CO 0.00 0.14 0.86 -1.01 0.02 0.00 0.00 175.30 175.31 3hx0 s HIS 486 N -2.31 3.45 0.04 -0.53 3.76 -1.26 -4.65 115.29 113.78 3hx0 s HIS 486 Ca 0.40 1.32 0.03 0.00 -0.15 0.00 0.00 55.06 56.66 3hx0 s HIS 486 Cb -0.10 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 3hx0 s HIS 486 CO 0.36 -0.22 0.00 1.03 -0.85 0.00 0.00 174.74 175.06 3hx0 s ARG 487 N 2.03 2.69 -0.12 1.40 1.81 -0.69 -4.54 118.95 121.53 3hx0 s ARG 487 Ca 0.40 -0.71 -0.28 0.00 -1.72 0.00 0.00 55.73 53.42 3hx0 s ARG 487 Cb -0.17 -2.62 -0.01 0.00 -0.45 0.00 0.00 34.95 31.70 3hx0 s ARG 487 CO 0.14 0.59 0.94 1.03 -0.68 0.00 0.00 175.30 177.32 3hx0 s ARG 488 N -1.89 4.39 0.03 3.54 0.52 -1.26 -1.07 118.95 123.21 3hx0 s ARG 488 Ca 0.22 1.26 0.01 0.00 -0.52 0.00 0.00 55.73 56.71 3hx0 s ARG 488 Cb -0.12 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3hx0 s ARG 488 CO 0.14 -0.31 0.07 -1.17 0.02 0.00 0.00 175.30 174.05 3hx0 s LEU 489 N 2.01 3.80 -0.25 2.53 2.96 -0.38 -2.68 118.68 126.68 3hx0 s LEU 489 Ca 0.45 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3hx0 s LEU 489 Cb -0.18 -2.33 0.10 0.00 0.50 0.00 0.00 46.19 44.28 3hx0 s LEU 489 CO 0.16 0.23 0.18 -0.62 -1.32 0.00 0.00 176.35 174.98 3hx0 s ASP 490 N -2.01 2.42 -0.02 3.68 -1.08 -0.84 -2.41 116.67 116.42 3hx0 s ASP 490 Ca 0.25 -0.80 0.07 0.00 -0.52 0.00 0.00 52.55 51.56 3hx0 s ASP 490 Cb -0.12 0.01 -0.02 0.00 -1.46 0.00 0.00 42.92 41.33 3hx0 s ASP 490 CO 0.17 -0.39 -0.24 -0.63 0.52 0.00 0.00 175.17 174.60 3hx0 s ILE 491 N 2.21 2.22 0.02 4.11 1.01 -0.55 -0.69 121.20 129.53 3hx0 s ILE 491 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3hx0 s ILE 491 Cb -0.15 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 3hx0 s ILE 491 CO -0.25 0.56 -0.03 0.27 0.00 0.00 0.00 174.94 175.49 3hx0 s ILE 492 N -0.65 0.17 -0.11 2.92 -4.36 -0.89 0.18 121.20 118.46 3hx0 s ILE 492 Ca 0.10 -0.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.86 3hx0 s ILE 492 Cb -0.10 -0.26 -0.01 0.00 1.25 0.00 0.00 42.46 43.34 3hx0 s ILE 492 CO -0.00 -0.31 -0.18 -0.69 0.24 0.00 0.00 174.94 174.00 3hx0 s VAL 493 N -0.98 2.59 0.05 8.37 1.01 -0.86 -0.85 120.40 129.73 3hx0 s VAL 493 Ca -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3hx0 s VAL 493 Cb -0.07 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3hx0 s VAL 493 CO -0.00 0.54 -0.06 0.68 0.00 0.00 0.00 175.10 176.26 3hx0 s VAL 494 N 0.31 0.42 0.32 2.92 -7.23 -0.04 -4.86 120.40 112.24 3hx0 s VAL 494 Ca -0.14 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 3hx0 s VAL 494 Cb -0.17 -0.86 -0.11 0.00 0.56 0.00 0.00 36.38 35.81 3hx0 s VAL 494 CO 0.07 -0.60 1.41 -2.84 -0.31 0.00 0.00 175.10 172.83 3hx0 s PRO 495 N -2.32 4.25 0.00 4.82 0.02 -1.26 -4.33 135.00 136.17 3hx0 s PRO 495 Ca -0.05 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.35 3hx0 s PRO 495 Cb -0.04 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.49 3hx0 s PRO 495 CO -0.02 -0.37 0.71 0.98 -0.33 0.00 0.00 177.00 177.96 3hx0 n TYR 496 N 1.17 0.00 1.08 6.54 9.36 -1.26 -0.52 117.16 133.54 3hx0 n TYR 496 Ca 0.02 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.36 3hx0 n TYR 496 Cb 0.40 -0.16 0.16 0.00 -0.63 0.00 0.00 39.34 39.11 3hx0 n TYR 496 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3hx0 n SER 497 N -1.16 1.15 -0.05 2.98 3.41 -1.26 -4.00 113.62 114.69 3hx0 n SER 497 Ca 0.01 -0.92 0.01 0.00 -0.26 0.00 0.00 58.87 57.71 3hx0 n SER 497 Cb 0.01 0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3hx0 n SER 497 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hx0 n GLU 498 N -0.85 2.83 -0.32 4.33 1.02 0.33 -4.82 120.64 123.15 3hx0 n GLU 498 Ca 0.08 -0.32 -0.03 0.00 -0.02 0.00 0.00 57.16 56.87 3hx0 n GLU 498 Cb 0.37 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 3hx0 n GLU 498 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hx0 n PHE 499 N -0.46 -0.07 -0.29 -0.32 7.35 -1.11 -0.42 117.46 122.14 3hx0 n PHE 499 Ca 0.01 1.00 0.08 0.00 -0.76 0.00 0.00 57.45 57.77 3hx0 n PHE 499 Cb 0.05 -0.74 0.30 0.00 0.35 0.00 0.00 39.48 39.43 3hx0 n PHE 499 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hx0 h ALA 500 N 0.93 1.64 0.00 3.13 0.00 -1.79 0.17 119.26 123.34 3hx0 h ALA 500 Ca 0.24 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3hx0 h ALA 500 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hx0 h ALA 500 CO -0.79 0.17 -0.77 0.00 0.00 0.00 0.00 179.25 177.86 3hx0 h ALA 502 N 1.56 0.11 -0.40 0.00 0.00 -0.43 -2.60 119.26 117.50 3hx0 h ALA 502 Ca -0.05 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 3hx0 h ALA 502 Cb 1.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3hx0 h ALA 502 CO 0.05 0.90 -0.00 1.25 0.00 0.00 0.00 179.25 181.44 3hx0 h LEU 503 N 0.12 0.69 0.18 0.00 5.85 -0.77 0.65 115.31 122.03 3hx0 h LEU 503 Ca -0.14 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3hx0 h LEU 503 Cb 1.93 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 3hx0 h LEU 503 CO 0.21 0.83 -0.11 0.25 -0.34 0.00 0.00 178.44 179.28 3hx0 h LEU 504 N 0.53 -0.27 0.43 2.25 5.85 -1.57 -0.83 115.31 121.71 3hx0 h LEU 504 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3hx0 h LEU 504 Cb 0.48 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3hx0 h LEU 504 CO 0.02 -0.18 -0.34 0.22 -0.34 0.00 0.00 178.44 177.82 3hx0 h TYR 505 N -0.28 -0.93 0.00 1.25 3.20 -1.33 -1.89 116.97 117.00 3hx0 h TYR 505 Ca -0.02 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hx0 h TYR 505 Cb 0.23 0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3hx0 h TYR 505 CO -0.08 -0.48 0.00 0.35 -1.64 0.00 0.00 178.16 176.31 3hx0 h PHE 506 N -0.75 0.00 0.10 -3.82 -0.00 -0.89 -1.10 116.94 110.48 3hx0 h PHE 506 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 57.64 3hx0 h PHE 506 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.57 3hx0 h PHE 506 CO -0.12 0.00 -1.27 1.15 -0.00 0.00 0.00 178.31 178.07 3hx0 h THR 507 N 0.00 1.45 0.00 4.41 2.02 -0.93 0.15 112.91 120.02 3hx0 h THR 507 Ca 0.00 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.11 3hx0 h THR 507 Cb 0.07 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3hx0 h THR 507 CO 0.00 0.88 0.00 0.61 0.37 0.00 0.00 175.52 177.38 3hx0 n GLY 508 N 1.52 1.14 3.73 2.16 0.00 -0.42 -3.79 105.19 109.54 3hx0 n GLY 508 Ca -0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3hx0 n GLY 508 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hx0 s SER 509 N -4.00 2.22 0.09 1.61 1.04 -0.74 -4.80 113.70 109.13 3hx0 s SER 509 Ca 0.00 0.67 -0.34 0.00 0.48 0.00 0.00 55.95 56.76 3hx0 s SER 509 Cb 0.00 -0.98 -0.15 0.00 0.10 0.00 0.00 66.02 64.99 3hx0 s SER 509 CO 0.00 -3.32 1.58 0.00 0.98 0.00 0.00 173.24 172.47 3hx0 h ALA 510 N -2.03 -1.00 -0.75 5.32 0.00 -1.89 0.87 119.26 119.78 3hx0 h ALA 510 Ca -0.47 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.44 3hx0 h ALA 510 Cb 1.29 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 19.68 3hx0 h ALA 510 CO 0.44 -1.11 0.23 0.00 0.00 0.00 0.00 179.25 178.81 3hx0 h ALA 511 N -0.62 1.01 -0.50 0.00 0.00 -1.94 0.35 119.26 117.56 3hx0 h ALA 511 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hx0 h ALA 511 Cb 0.80 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3hx0 h ALA 511 CO -0.11 -0.29 0.28 0.35 0.00 0.00 0.00 179.25 179.48 3hx0 h PHE 512 N 0.34 0.53 0.80 0.00 3.04 -1.57 -1.31 116.94 118.76 3hx0 h PHE 512 Ca 0.42 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.35 3hx0 h PHE 512 Cb 0.70 -0.16 0.01 0.00 2.56 0.00 0.00 35.95 39.05 3hx0 h PHE 512 CO -0.22 0.29 -0.39 -0.91 -2.02 0.00 0.00 178.31 175.06 3hx0 h ASN 513 N 0.56 -0.92 -0.79 0.41 2.35 0.12 -0.28 115.58 117.03 3hx0 h ASN 513 Ca 0.21 0.03 0.19 0.00 -0.55 0.00 0.00 56.30 56.18 3hx0 h ASN 513 Cb 0.06 0.24 -0.12 0.00 0.05 0.00 0.00 38.32 38.55 3hx0 h ASN 513 CO -0.11 -0.65 0.19 0.00 -1.65 0.00 0.00 177.43 175.21 3hx0 h ALA 514 N -1.49 1.06 0.44 -0.83 0.00 -1.26 0.58 119.26 117.75 3hx0 h ALA 514 Ca -0.11 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hx0 h ALA 514 Cb 0.83 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hx0 h ALA 514 CO 0.18 -0.38 -0.28 0.77 0.00 0.00 0.00 179.25 179.54 3hx0 h SER 515 N 0.25 -0.70 -0.50 0.00 0.02 -1.09 0.23 113.55 111.77 3hx0 h SER 515 Ca 0.46 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.46 3hx0 h SER 515 Cb 0.84 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 3hx0 h SER 515 CO -0.57 -0.44 0.33 -0.03 -1.14 0.00 0.00 176.83 174.99 3hx0 h MET 516 N -0.69 0.65 -0.70 3.45 -1.53 0.35 -1.86 114.93 114.61 3hx0 h MET 516 Ca -0.05 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 3hx0 h MET 516 Cb 0.57 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.44 3hx0 h MET 516 CO 0.05 0.43 0.40 0.00 0.14 0.00 0.00 176.91 177.93 3hx0 h ARG 517 N 0.67 0.95 -0.54 0.39 3.08 0.27 -1.66 114.38 117.54 3hx0 h ARG 517 Ca 0.19 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3hx0 h ARG 517 Cb -0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 3hx0 h ARG 517 CO -0.05 0.68 0.35 0.00 -1.07 0.00 0.00 179.97 179.89 3hx0 h ALA 518 N 1.48 0.69 0.04 0.04 0.00 0.22 -2.43 119.26 119.30 3hx0 h ALA 518 Ca 0.25 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3hx0 h ALA 518 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hx0 h ALA 518 CO -0.04 0.12 -0.13 1.25 0.00 0.00 0.00 179.25 180.44 3hx0 h LEU 519 N 0.72 -0.36 -0.79 0.00 5.85 -0.56 -2.30 115.31 117.86 3hx0 h LEU 519 Ca 0.20 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.14 3hx0 h LEU 519 Cb -0.07 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 40.99 3hx0 h LEU 519 CO -0.05 -0.19 0.29 0.00 -0.34 0.00 0.00 178.44 178.15 3hx0 h ALA 520 N 0.68 1.14 0.00 1.25 0.00 -1.14 0.40 119.26 121.60 3hx0 h ALA 520 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hx0 h ALA 520 Cb 0.27 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hx0 h ALA 520 CO -0.10 -0.29 0.24 -0.22 0.00 0.00 0.00 179.25 178.88 3hx0 h LYS 521 N 0.37 0.00 0.00 0.00 3.64 -0.93 0.13 116.57 119.79 3hx0 h LYS 521 Ca 0.46 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.55 3hx0 h LYS 521 Cb 0.78 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 3hx0 h LYS 521 CO -0.48 0.00 -1.67 1.79 -2.27 0.00 0.00 179.45 176.82 3hx0 h THR 522 N 0.00 0.89 -0.11 1.00 1.35 -0.16 -3.29 112.91 112.60 3hx0 h THR 522 Ca 0.00 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 3hx0 h THR 522 Cb 0.48 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3hx0 h THR 522 CO 0.00 0.52 0.00 0.29 -0.25 0.00 0.00 175.52 176.08 3hx0 n LYS 523 N -3.07 1.25 -1.63 4.72 4.01 0.31 -4.84 118.16 118.90 3hx0 n LYS 523 Ca -0.16 -0.38 -0.06 0.00 -0.51 0.00 0.00 58.31 57.20 3hx0 n LYS 523 Cb 1.05 -1.08 -0.01 0.00 -0.51 0.00 0.00 35.03 34.47 3hx0 n LYS 523 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hx0 n GLY 524 N 0.67 0.50 0.00 0.72 0.00 -1.00 -4.95 105.19 101.12 3hx0 n GLY 524 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3hx0 n GLY 524 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hx0 n MET 525 N -2.23 1.86 -3.67 1.61 2.81 -0.29 -0.30 117.12 116.92 3hx0 n MET 525 Ca -0.07 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.74 3hx0 n MET 525 Cb 0.37 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.79 3hx0 n MET 525 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hx0 s SER 526 N -0.97 -0.66 0.02 7.83 0.15 -0.70 -3.65 113.70 115.71 3hx0 s SER 526 Ca 0.00 1.15 0.04 0.00 0.70 0.00 0.00 55.95 57.84 3hx0 s SER 526 Cb 0.00 1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 65.41 3hx0 s SER 526 CO 0.00 -0.21 -0.10 -0.22 1.20 0.00 0.00 173.24 173.91 3hx0 s LEU 527 N 1.71 3.00 0.00 3.45 2.96 -1.26 -1.66 118.68 126.88 3hx0 s LEU 527 Ca -0.09 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 3hx0 s LEU 527 Cb -0.08 -1.74 0.05 0.00 0.50 0.00 0.00 46.19 44.92 3hx0 s LEU 527 CO -0.15 0.27 0.65 -1.54 -1.32 0.00 0.00 176.35 174.26 3hx0 n SER 528 N 1.53 -1.61 0.00 3.68 3.41 -1.19 -4.96 113.62 114.47 3hx0 n SER 528 Ca -0.15 -2.05 0.12 0.00 -0.26 0.00 0.00 58.87 56.52 3hx0 n SER 528 Cb 0.52 2.67 0.57 0.00 -0.26 0.00 0.00 64.21 67.71 3hx0 n SER 528 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hx0 n GLU 529 N -0.45 0.16 -0.07 4.33 0.00 -1.26 -3.52 120.64 119.83 3hx0 n GLU 529 Ca -0.05 0.07 -0.22 0.00 0.00 0.00 0.00 57.16 56.96 3hx0 n GLU 529 Cb 0.45 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.26 3hx0 n GLU 529 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hx0 n HIS 530 N -1.40 1.06 0.00 -1.84 8.25 -1.26 -2.93 115.22 117.10 3hx0 n HIS 530 Ca 0.09 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 3hx0 n HIS 530 Cb 0.24 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.24 3hx0 n HIS 530 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hx0 n ALA 531 N -3.33 0.00 -2.96 -1.41 0.00 -1.23 -4.66 120.51 106.93 3hx0 n ALA 531 Ca -0.33 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 3hx0 n ALA 531 Cb 0.79 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 3hx0 n ALA 531 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hx0 s LEU 532 N 0.00 5.40 0.51 0.00 2.96 -1.26 -3.19 118.68 123.11 3hx0 s LEU 532 Ca 0.00 -1.33 0.08 0.00 -0.22 0.00 0.00 54.13 52.66 3hx0 s LEU 532 Cb 0.00 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3hx0 s LEU 532 CO 0.00 -0.59 0.55 -0.44 -1.32 0.00 0.00 176.35 174.55 3hx0 s SER 533 N 2.34 5.00 0.32 3.68 0.01 -0.66 -1.10 113.70 123.28 3hx0 s SER 533 Ca 0.04 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.41 3hx0 s SER 533 Cb -0.23 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.08 3hx0 s SER 533 CO 0.06 -1.05 0.32 0.35 0.41 0.00 0.00 173.24 173.33 3hx0 n THR 534 N -1.89 0.00 -1.72 1.44 -2.24 -1.12 -1.71 114.28 107.03 3hx0 n THR 534 Ca 0.07 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 3hx0 n THR 534 Cb 0.62 -0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 67.88 3hx0 n THR 534 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hx0 n ALA 535 N -2.83 1.77 -1.80 6.98 0.00 0.59 -4.34 120.51 120.88 3hx0 n ALA 535 Ca -0.05 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.44 3hx0 n ALA 535 Cb 0.22 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 3hx0 n ALA 535 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hx0 s VAL 536 N -0.50 4.30 0.01 0.00 -7.23 -1.26 -4.23 120.40 111.49 3hx0 s VAL 536 Ca 0.61 1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 61.68 3hx0 s VAL 536 Cb -0.56 -3.61 -0.06 0.00 0.56 0.00 0.00 36.38 32.72 3hx0 s VAL 536 CO 0.55 -0.53 1.37 -0.69 -0.31 0.00 0.00 175.10 175.49 3hx0 s VAL 537 N -2.44 3.73 -0.07 1.32 1.01 0.28 -4.91 120.40 119.32 3hx0 s VAL 537 Ca 0.61 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 3hx0 s VAL 537 Cb -0.11 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3hx0 s VAL 537 CO 0.27 0.01 -0.00 -0.13 0.00 0.00 0.00 175.10 175.25 3hx0 s ARG 538 N 2.18 0.63 0.67 2.72 0.52 -1.26 0.68 118.95 125.09 3hx0 s ARG 538 Ca 0.63 0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.83 3hx0 s ARG 538 Cb -0.31 -0.98 0.17 0.00 0.52 0.00 0.00 34.95 34.35 3hx0 s ARG 538 CO 0.27 -0.30 0.39 0.27 0.02 0.00 0.00 175.30 175.95 3hx0 n ASN 539 N 5.11 -2.96 -0.22 0.23 0.23 -1.08 -4.59 115.26 111.98 3hx0 n ASN 539 Ca -0.08 -0.39 -0.04 0.00 -0.53 0.00 0.00 54.58 53.54 3hx0 n ASN 539 Cb 0.50 -0.46 0.02 0.00 -2.08 0.00 0.00 39.78 37.77 3hx0 n ASN 539 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3hx0 h THR 540 N -2.73 0.20 -0.86 5.53 2.02 -2.01 0.23 112.91 115.28 3hx0 h THR 540 Ca -0.18 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.17 3hx0 h THR 540 Cb 0.60 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 3hx0 h THR 540 CO 0.11 0.00 0.56 0.45 0.37 0.00 0.00 175.52 177.01 3hx0 h HIS 541 N -0.12 0.63 0.00 3.16 3.86 -2.05 -3.45 115.15 117.18 3hx0 h HIS 541 Ca 0.26 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3hx0 h HIS 541 Cb 0.54 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3hx0 h HIS 541 CO -0.62 0.21 0.00 0.41 0.86 0.00 0.00 177.93 178.78 3hx0 n GLY 542 N -1.48 1.83 3.72 2.45 0.00 0.80 -5.09 105.19 107.41 3hx0 n GLY 542 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3hx0 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx0 s ALA 543 N -2.00 3.62 -0.41 4.61 0.00 -1.26 -4.85 121.76 121.47 3hx0 s ALA 543 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 3hx0 s ALA 543 Cb 0.00 -2.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 3hx0 s ALA 543 CO 0.00 0.05 2.34 0.36 0.00 0.00 0.00 175.76 178.51 3hx0 n LYS 544 N 3.70 1.28 -0.02 0.00 0.00 -1.26 -2.64 118.16 119.23 3hx0 n LYS 544 Ca -0.13 0.22 0.06 0.00 -0.00 0.00 0.00 58.31 58.46 3hx0 n LYS 544 Cb 0.52 -3.08 -0.12 0.00 -0.00 0.00 0.00 35.03 32.35 3hx0 n LYS 544 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3hx0 n VAL 545 N 7.76 0.14 -3.79 0.58 0.24 0.21 -4.97 118.33 118.51 3hx0 n VAL 545 Ca 0.37 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 3hx0 n VAL 545 Cb 0.42 0.04 -0.09 0.00 -1.47 0.00 0.00 33.84 32.74 3hx0 n VAL 545 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hx0 s GLY 546 N -3.92 -0.11 0.82 7.63 0.00 -0.63 -4.98 107.32 106.13 3hx0 s GLY 546 Ca -0.06 0.29 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 3hx0 s GLY 546 CO 0.63 0.12 1.10 -4.14 0.00 0.00 0.00 173.10 170.82 3hx0 s PRO 547 N -1.10 1.83 0.74 2.90 0.02 -1.26 1.00 135.00 139.12 3hx0 s PRO 547 Ca -0.12 1.24 -0.03 0.00 0.02 0.00 0.00 61.00 62.11 3hx0 s PRO 547 Cb -0.05 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.75 3hx0 s PRO 547 CO 0.03 -1.97 1.02 0.20 -0.33 0.00 0.00 177.00 175.95 3hx0 s GLY 548 N -3.20 1.76 -0.37 0.52 0.00 -1.26 -4.17 107.32 100.61 3hx0 s GLY 548 Ca 0.63 -1.55 -0.28 0.00 0.00 0.00 0.00 44.72 43.51 3hx0 s GLY 548 CO 0.57 -1.00 1.05 -1.60 0.00 0.00 0.00 173.10 172.12 3hx0 s ARG 549 N -5.22 3.93 -0.08 2.90 3.52 -1.26 -4.67 118.95 118.07 3hx0 s ARG 549 Ca 0.66 0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 56.80 3hx0 s ARG 549 Cb -0.06 -3.79 -0.06 0.00 -1.56 0.00 0.00 34.95 29.48 3hx0 s ARG 549 CO 0.45 -1.02 1.82 0.08 -0.81 0.00 0.00 175.30 175.82 3hx0 s VAL 550 N 3.78 3.36 0.43 7.11 1.01 -1.26 -2.81 120.40 132.02 3hx0 s VAL 550 Ca 0.44 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 3hx0 s VAL 550 Cb -0.11 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 3hx0 s VAL 550 CO 0.20 -0.09 0.97 -0.76 0.00 0.00 0.00 175.10 175.42 3hx0 s LEU 551 N 4.98 3.96 -0.35 3.92 1.43 -0.26 -4.99 118.68 127.36 3hx0 s LEU 551 Ca 0.81 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 55.39 3hx0 s LEU 551 Cb -0.34 -4.49 -0.00 0.00 0.03 0.00 0.00 46.19 41.38 3hx0 s LEU 551 CO 0.34 -0.43 1.53 -2.16 0.23 0.00 0.00 176.35 175.86 3hx0 s PRO 552 N -3.08 3.57 -0.60 1.29 0.04 -1.26 -4.60 135.00 130.36 3hx0 s PRO 552 Ca 0.62 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.90 3hx0 s PRO 552 Cb -0.12 -4.06 0.19 0.00 0.04 0.00 0.00 34.50 30.55 3hx0 s PRO 552 CO 0.16 -1.56 0.49 0.25 0.04 0.00 0.00 177.00 176.38 3hx0 n THR 553 N 7.00 0.81 0.15 1.26 -2.24 -1.26 -4.89 114.28 115.11 3hx0 n THR 553 Ca 0.18 -4.47 0.04 0.00 -2.27 0.00 0.00 64.05 57.53 3hx0 n THR 553 Cb 0.47 -2.01 0.43 0.00 -2.10 0.00 0.00 70.33 67.12 3hx0 n THR 553 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3hx0 h PRO 554 N 5.17 0.17 -4.96 -0.78 0.11 -1.95 -3.40 132.00 126.36 3hx0 h PRO 554 Ca 0.18 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.77 3hx0 h PRO 554 Cb 0.79 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 31.74 3hx0 h PRO 554 CO 0.62 0.30 -0.52 0.95 -0.21 0.00 0.00 178.00 179.14 3hx0 s THR 555 N -4.74 0.38 0.09 -1.15 -4.23 -1.26 -4.50 115.64 100.23 3hx0 s THR 555 Ca -0.05 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.29 3hx0 s THR 555 Cb 0.16 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.48 3hx0 s THR 555 CO 0.72 0.00 1.46 -0.33 -0.54 0.00 0.00 174.62 175.93 3hx0 h GLU 556 N 2.01 0.59 -0.87 3.99 5.08 -1.88 -3.17 114.58 120.34 3hx0 h GLU 556 Ca -0.32 -0.25 0.23 0.00 -1.00 0.00 0.00 59.36 58.01 3hx0 h GLU 556 Cb 1.26 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 3hx0 h GLU 556 CO 0.51 0.82 0.28 0.87 -1.00 0.00 0.00 179.01 180.49 3hx0 h LYS 557 N 0.34 0.26 -0.66 2.33 1.57 -1.97 0.14 116.57 118.59 3hx0 h LYS 557 Ca 0.06 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3hx0 h LYS 557 Cb 0.64 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3hx0 h LYS 557 CO 0.04 0.17 0.44 -0.44 -0.57 0.00 0.00 179.45 179.09 3hx0 h ASP 558 N 0.27 0.70 -0.55 0.86 3.32 -1.93 -0.51 116.42 118.59 3hx0 h ASP 558 Ca 0.55 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.56 3hx0 h ASP 558 Cb 1.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3hx0 h ASP 558 CO -0.60 0.49 0.25 0.58 -1.72 0.00 0.00 179.24 178.24 3hx0 h VAL 559 N 0.82 1.21 0.77 -1.35 2.07 -0.81 -1.61 116.25 117.34 3hx0 h VAL 559 Ca 0.26 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3hx0 h VAL 559 Cb 0.01 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3hx0 h VAL 559 CO -0.07 0.24 -0.37 -0.26 0.02 0.00 0.00 177.57 177.13 3hx0 h PHE 560 N 0.74 -0.96 -0.98 1.57 -1.00 -1.16 -2.14 116.94 113.01 3hx0 h PHE 560 Ca 0.19 -0.02 0.13 0.00 2.81 0.00 0.00 57.97 61.08 3hx0 h PHE 560 Cb 0.14 0.32 -0.15 0.00 3.61 0.00 0.00 35.95 39.87 3hx0 h PHE 560 CO -0.00 -0.59 -0.45 -0.09 -1.61 0.00 0.00 178.31 175.56 3hx0 h ARG 561 N -1.25 -0.01 -0.89 1.51 2.43 -1.08 0.75 114.38 115.84 3hx0 h ARG 561 Ca -0.11 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3hx0 h ARG 561 Cb 0.79 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 3hx0 h ARG 561 CO 0.17 -0.01 0.58 -0.07 -1.51 0.00 0.00 179.97 179.14 3hx0 h LEU 562 N -0.01 0.91 0.00 3.80 3.38 -1.32 0.28 115.31 122.36 3hx0 h LEU 562 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3hx0 h LEU 562 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hx0 h LEU 562 CO -0.96 0.60 0.00 0.18 0.09 0.00 0.00 178.44 178.35 3hx0 n LEU 563 N -4.47 0.00 -2.22 1.67 4.77 0.23 -4.89 117.00 112.08 3hx0 n LEU 563 Ca 0.13 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 3hx0 n LEU 563 Cb 0.17 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3hx0 n LEU 563 CO 0.33 -0.01 0.12 0.61 -1.33 0.00 0.00 177.39 177.12 3hx0 n GLY 564 N 0.86 0.06 3.14 -0.72 0.00 0.98 -5.00 105.19 104.50 3hx0 n GLY 564 Ca 0.20 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3hx0 n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx0 s LEU 565 N -4.57 2.14 0.15 0.99 1.43 -0.82 -4.99 118.68 113.00 3hx0 s LEU 565 Ca 0.31 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 3hx0 s LEU 565 Cb -0.14 -0.64 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 3hx0 s LEU 565 CO 0.38 0.07 1.27 -2.16 0.23 0.00 0.00 176.35 176.14 3hx0 s PRO 566 N -0.95 4.42 0.21 1.29 0.04 -1.26 -3.62 135.00 135.13 3hx0 s PRO 566 Ca 0.03 1.95 -0.32 0.00 0.04 0.00 0.00 61.00 62.69 3hx0 s PRO 566 Cb -0.07 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 31.09 3hx0 s PRO 566 CO 0.01 -0.23 1.45 0.98 0.04 0.00 0.00 177.00 179.25 3hx0 n TYR 567 N 3.06 2.18 -4.90 0.56 4.19 -1.26 -4.99 117.16 116.00 3hx0 n TYR 567 Ca 0.07 0.39 -0.33 0.00 3.31 0.00 0.00 57.90 61.35 3hx0 n TYR 567 Cb 0.44 -2.48 -0.15 0.00 0.49 0.00 0.00 39.34 37.64 3hx0 n TYR 567 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3hx0 s ARG 568 N -0.03 3.27 0.79 2.98 0.52 -1.26 -5.11 118.95 120.11 3hx0 s ARG 568 Ca 0.71 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 55.03 3hx0 s ARG 568 Cb -0.67 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.32 3hx0 s ARG 568 CO 0.46 0.19 0.98 0.39 0.02 0.00 0.00 175.30 177.34 3hx0 n GLU 569 N 3.56 0.22 -0.15 3.54 -0.58 -1.26 -4.88 120.64 121.10 3hx0 n GLU 569 Ca -0.18 0.14 -0.03 0.00 -0.42 0.00 0.00 57.16 56.66 3hx0 n GLU 569 Cb 0.53 -2.25 0.06 0.00 -0.57 0.00 0.00 31.44 29.20 3hx0 n GLU 569 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3hx0 h PRO 570 N -0.76 0.29 -0.42 3.49 0.11 -1.94 -1.52 132.00 131.25 3hx0 h PRO 570 Ca -0.46 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.75 3hx0 h PRO 570 Cb 1.31 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3hx0 h PRO 570 CO 0.44 0.19 0.35 0.00 -0.21 0.00 0.00 178.00 178.77 3hx0 h ALA 571 N 1.34 2.27 -0.80 -0.75 0.00 -1.80 -0.36 119.26 119.15 3hx0 h ALA 571 Ca 0.23 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.71 3hx0 h ALA 571 Cb 0.27 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 17.84 3hx0 h ALA 571 CO -0.27 -0.56 0.54 0.39 0.00 0.00 0.00 179.25 179.35 3hx0 n GLU 572 N -4.13 2.01 -0.49 0.00 -0.58 -0.57 -4.26 120.64 112.62 3hx0 n GLU 572 Ca 0.07 -2.42 0.07 0.00 -0.42 0.00 0.00 57.16 54.46 3hx0 n GLU 572 Cb 0.54 -1.95 0.18 0.00 -0.57 0.00 0.00 31.44 29.63 3hx0 n GLU 572 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hx0 n ARG 573 N -0.81 1.39 -0.10 3.49 1.74 -0.15 -4.71 116.66 117.52 3hx0 n ARG 573 Ca 0.48 -2.99 -0.04 0.00 -0.77 0.00 0.00 57.85 54.54 3hx0 n ARG 573 Cb 1.42 -1.48 0.18 0.00 -1.02 0.00 0.00 32.46 31.56 3hx0 n ARG 573 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hx0 h ASP 574 N 0.70 0.72 0.00 0.55 3.45 -1.78 -1.97 116.42 118.09 3hx0 h ASP 574 Ca -0.01 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.28 3hx0 h ASP 574 Cb 1.05 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 3hx0 h ASP 574 CO 0.01 0.78 0.00 -2.67 -1.57 0.00 0.00 179.24 175.79