#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dg8 n ASP 284 N 0.00 0.00 0.03 1.67 5.75 -1.26 -4.92 116.55 117.82 3dg8 n ASP 284 Ca 0.00 -1.00 -0.13 0.00 -0.01 0.00 0.00 54.79 53.65 3dg8 n ASP 284 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 3dg8 n ASP 284 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3dg8 h GLU 285 N 0.00 -0.10 0.00 0.11 5.08 -2.08 -3.13 114.58 114.46 3dg8 h GLU 285 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3dg8 h GLU 285 Cb 0.87 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 3dg8 h GLU 285 CO 0.00 0.31 -0.05 0.93 -1.00 0.00 0.00 179.01 179.20 3dg8 h GLU 286 N -0.55 0.00 0.00 2.33 3.07 -2.01 -1.10 114.58 116.32 3dg8 h GLU 286 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dg8 h GLU 286 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3dg8 h GLU 286 CO 0.02 0.05 0.00 0.39 -1.40 0.00 0.00 179.01 178.07 3dg8 n GLU 287 N -3.65 0.09 -0.02 2.33 1.02 -1.18 -1.44 120.64 117.79 3dg8 n GLU 287 Ca -0.02 0.51 -0.22 0.00 -0.02 0.00 0.00 57.16 57.41 3dg8 n GLU 287 Cb 0.15 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 29.69 3dg8 n GLU 287 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3dg8 h ASP 288 N 0.00 0.32 -0.48 1.62 3.58 -1.33 -3.36 116.42 116.77 3dg8 h ASP 288 Ca 0.00 -0.84 0.09 0.00 0.42 0.00 0.00 57.03 56.70 3dg8 h ASP 288 Cb 0.09 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3dg8 h ASP 288 CO 0.00 1.76 0.32 0.44 -2.88 0.00 0.00 179.24 178.89 3dg8 h ASP 289 N -0.21 0.24 -0.47 2.28 3.32 -1.31 -2.01 116.42 118.27 3dg8 h ASP 289 Ca -0.40 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.71 3dg8 h ASP 289 Cb 1.84 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 41.30 3dg8 h ASP 289 CO 0.01 0.15 0.17 0.15 -1.72 0.00 0.00 179.24 178.01 3dg8 h PHE 290 N 0.27 0.31 -0.80 4.55 3.57 -1.63 -1.83 116.94 121.37 3dg8 h PHE 290 Ca 0.22 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3dg8 h PHE 290 Cb 0.51 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3dg8 h PHE 290 CO -0.00 0.12 0.53 0.28 -2.23 0.00 0.00 178.31 177.01 3dg8 h VAL 291 N 0.35 1.17 -0.10 1.41 2.07 -1.54 -2.69 116.25 116.93 3dg8 h VAL 291 Ca 0.22 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3dg8 h VAL 291 Cb 0.21 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3dg8 h VAL 291 CO -0.21 0.19 0.02 1.88 0.02 0.00 0.00 177.57 179.47 3dg8 h TYR 292 N 1.05 0.18 0.00 1.57 0.05 -1.35 -2.79 116.97 115.68 3dg8 h TYR 292 Ca 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3dg8 h TYR 292 Cb -0.06 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.63 3dg8 h TYR 292 CO -0.00 0.36 0.00 1.19 -1.05 0.00 0.00 178.16 178.66 3dg8 n PHE 293 N -4.86 0.64 -1.31 4.88 3.01 -0.80 -1.59 117.46 117.43 3dg8 n PHE 293 Ca -0.06 0.30 -0.08 0.00 1.01 0.00 0.00 57.45 58.63 3dg8 n PHE 293 Cb 0.16 -0.99 0.21 0.00 -0.01 0.00 0.00 39.48 38.86 3dg8 n PHE 293 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3dg8 n ASN 294 N -2.13 3.14 0.19 4.37 3.02 -1.04 -4.61 115.26 118.20 3dg8 n ASN 294 Ca -0.00 -3.60 0.07 0.00 -0.03 0.00 0.00 54.58 51.02 3dg8 n ASN 294 Cb 0.09 -0.68 0.31 0.00 -0.61 0.00 0.00 39.78 38.89 3dg8 n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 3dg8 h PHE 295 N 1.24 0.00 0.00 3.10 -0.00 -1.30 -3.27 116.94 116.70 3dg8 h PHE 295 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.27 3dg8 h PHE 295 Cb 1.98 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.93 3dg8 h PHE 295 CO 1.13 0.32 -1.20 -1.71 -0.00 0.00 0.00 178.31 176.85 3dg8 n ASN 296 N -3.37 0.71 -4.70 -0.68 5.15 -1.26 -4.96 115.26 106.15 3dg8 n ASN 296 Ca 0.01 -0.65 -0.44 0.00 -0.60 0.00 0.00 54.58 52.90 3dg8 n ASN 296 Cb 0.53 1.16 -0.03 0.00 -0.53 0.00 0.00 39.78 40.91 3dg8 n ASN 296 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3dg8 n LYS 297 N -1.72 2.40 -0.62 1.20 4.76 -1.24 -4.94 118.16 117.99 3dg8 n LYS 297 Ca 0.02 0.86 -0.31 0.00 -2.87 0.00 0.00 58.31 56.01 3dg8 n LYS 297 Cb 0.40 -2.61 0.19 0.00 -1.84 0.00 0.00 35.03 31.18 3dg8 n LYS 297 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3dg8 n GLU 298 N 2.62 -1.40 -3.08 1.97 4.71 -1.26 -5.01 120.64 119.18 3dg8 n GLU 298 Ca 0.12 -0.37 -0.30 0.00 -0.01 0.00 0.00 57.16 56.60 3dg8 n GLU 298 Cb 0.33 -2.08 -0.04 0.00 -1.01 0.00 0.00 31.44 28.65 3dg8 n GLU 298 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3dg8 s LYS 299 N -4.14 3.76 -0.17 3.49 1.02 -1.26 -4.95 119.74 117.48 3dg8 s LYS 299 Ca 0.64 0.32 -0.02 0.00 0.02 0.00 0.00 55.97 56.93 3dg8 s LYS 299 Cb -0.21 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3dg8 s LYS 299 CO 0.64 0.09 2.41 -0.85 -0.92 0.00 0.00 175.35 176.72 3dg8 n GLU 300 N -1.00 1.65 0.00 1.68 0.28 -1.26 -1.03 120.64 120.96 3dg8 n GLU 300 Ca 0.01 -1.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.96 3dg8 n GLU 300 Cb 0.54 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.86 3dg8 n GLU 300 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dg8 n GLU 301 N 1.19 2.19 -0.46 3.44 -0.58 -1.26 -4.44 120.64 120.72 3dg8 n GLU 301 Ca 0.25 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.08 3dg8 n GLU 301 Cb 0.61 -0.66 0.31 0.00 -0.57 0.00 0.00 31.44 31.13 3dg8 n GLU 301 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dg8 n LYS 302 N -0.81 3.25 0.08 3.49 4.76 -0.50 -4.38 118.16 124.04 3dg8 n LYS 302 Ca 0.00 -2.69 -0.12 0.00 -2.87 0.00 0.00 58.31 52.63 3dg8 n LYS 302 Cb 0.11 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.55 3dg8 n LYS 302 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3dg8 h ASN 303 N 3.72 -0.53 0.00 4.39 -0.00 -1.30 -3.44 115.58 118.41 3dg8 h ASN 303 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 3dg8 h ASN 303 Cb 1.20 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.73 3dg8 h ASN 303 CO 0.12 -0.26 0.00 0.29 -0.00 0.00 0.00 177.43 177.59 3dg8 n LYS 304 N -5.32 0.00 -3.16 6.67 5.02 -1.26 -4.78 118.16 115.34 3dg8 n LYS 304 Ca -0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.84 3dg8 n LYS 304 Cb 0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.19 3dg8 n LYS 304 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dg8 s ASN 305 N -4.00 6.87 0.01 4.39 0.01 -1.09 -4.99 114.94 116.15 3dg8 s ASN 305 Ca 0.00 1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 52.95 3dg8 s ASN 305 Cb 0.00 -2.36 -0.18 0.00 0.41 0.00 0.00 41.25 39.11 3dg8 s ASN 305 CO 0.00 -0.06 1.40 0.77 -1.51 0.00 0.00 177.10 177.70 3dg8 h SER 306 N 6.67 -0.04 0.00 -1.22 4.64 -1.89 -3.44 113.55 118.27 3dg8 h SER 306 Ca -0.41 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 3dg8 h SER 306 Cb 1.19 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3dg8 h SER 306 CO 0.75 0.30 0.00 -0.38 -0.87 0.00 0.00 176.83 176.63 3dg8 n ILE 307 N -4.95 0.00 -0.95 0.95 2.08 -1.26 -3.80 119.36 111.43 3dg8 n ILE 307 Ca -0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.23 3dg8 n ILE 307 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.08 3dg8 n ILE 307 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 3dg8 n HIS 308 N -0.47 0.00 0.00 1.39 8.25 -1.26 -4.74 115.22 118.38 3dg8 n HIS 308 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3dg8 n HIS 308 Cb 0.00 -1.22 0.00 0.00 1.12 0.00 0.00 29.99 29.89 3dg8 n HIS 308 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3dg8 n PRO 309 N -0.71 0.00 -0.01 -0.41 -0.04 -1.25 -3.53 135.00 129.05 3dg8 n PRO 309 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3dg8 n PRO 309 Cb 0.26 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.57 3dg8 n PRO 309 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dg8 n ASN 310 N 0.00 0.20 0.21 3.54 2.85 -1.26 -3.59 115.26 117.21 3dg8 n ASN 310 Ca 0.00 -0.18 0.14 0.00 -0.11 0.00 0.00 54.58 54.43 3dg8 n ASN 310 Cb 0.00 1.78 0.41 0.00 1.24 0.00 0.00 39.78 43.20 3dg8 n ASN 310 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3dg8 h ASP 311 N 0.00 0.00 -1.04 1.20 3.32 -1.86 -3.09 116.42 114.95 3dg8 h ASP 311 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3dg8 h ASP 311 Cb 0.91 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.20 3dg8 h ASP 311 CO 0.00 0.00 0.80 0.49 -1.72 0.00 0.00 179.24 178.81 3dg8 n PHE 312 N -2.87 2.83 -0.04 4.55 3.72 -1.24 -4.78 117.46 119.64 3dg8 n PHE 312 Ca 0.03 -2.71 -0.01 0.00 -0.05 0.00 0.00 57.45 54.71 3dg8 n PHE 312 Cb 0.41 -1.33 -0.01 0.00 -0.94 0.00 0.00 39.48 37.61 3dg8 n PHE 312 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3dg8 h GLN 313 N 2.08 -0.01 -0.08 -1.08 5.75 -1.76 -1.09 115.11 118.92 3dg8 h GLN 313 Ca 0.54 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 59.06 3dg8 h GLN 313 Cb 0.72 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 3dg8 h GLN 313 CO 1.40 -0.01 -0.03 0.82 -2.65 0.00 0.00 178.83 178.37 3dg8 h ILE 314 N -0.01 0.90 -0.74 2.39 2.04 -1.88 -2.40 117.51 117.81 3dg8 h ILE 314 Ca 0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.00 3dg8 h ILE 314 Cb 0.05 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 3dg8 h ILE 314 CO -0.09 0.00 0.32 0.22 0.00 0.00 0.00 178.15 178.60 3dg8 h TYR 315 N -0.01 0.55 0.00 1.37 3.20 -1.67 -0.98 116.97 119.43 3dg8 h TYR 315 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3dg8 h TYR 315 Cb 0.07 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3dg8 h TYR 315 CO -0.14 0.11 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.53 3dg8 h ASN 316 N 0.49 0.00 0.72 -2.11 2.35 -1.12 -3.23 115.58 112.68 3dg8 h ASN 316 Ca 0.39 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.93 3dg8 h ASN 316 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3dg8 h ASN 316 CO -0.36 0.01 -0.93 0.77 -1.65 0.00 0.00 177.43 175.26 3dg8 h SER 317 N 0.00 0.17 -2.46 5.81 4.64 -0.66 -3.45 113.55 117.60 3dg8 h SER 317 Ca 0.00 -0.16 -0.55 0.00 -0.47 0.00 0.00 61.79 60.62 3dg8 h SER 317 Cb 0.81 -0.05 0.05 0.00 -0.31 0.00 0.00 62.40 62.90 3dg8 h SER 317 CO 0.00 1.01 1.00 0.18 -0.87 0.00 0.00 176.83 178.15 3dg8 n LEU 318 N -3.56 3.76 -0.04 5.97 4.77 -0.95 -4.91 117.00 122.03 3dg8 n LEU 318 Ca -0.03 1.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.97 3dg8 n LEU 318 Cb 0.86 -1.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 3dg8 n LEU 318 CO 0.48 0.05 0.03 0.50 -1.33 0.00 0.00 177.39 177.12 3dg8 h LYS 319 N 7.36 -0.02 -4.95 3.23 1.63 -1.91 -3.45 116.57 118.46 3dg8 h LYS 319 Ca -0.45 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 58.69 3dg8 h LYS 319 Cb 1.23 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.58 3dg8 h LYS 319 CO 0.94 0.05 -0.71 0.71 -3.45 0.00 0.00 179.45 176.99 3dg8 s TYR 320 N -1.66 3.00 -0.79 1.91 2.02 -1.26 -5.03 117.35 115.54 3dg8 s TYR 320 Ca -0.02 -1.03 0.02 0.00 -0.37 0.00 0.00 57.07 55.68 3dg8 s TYR 320 Cb -0.00 -2.12 0.23 0.00 -0.40 0.00 0.00 41.96 39.66 3dg8 s TYR 320 CO 0.05 -0.58 0.79 1.63 -1.57 0.00 0.00 175.55 175.87 3dg8 n LYS 321 N 4.79 2.63 0.00 -0.62 5.02 -1.26 -4.88 118.16 123.84 3dg8 n LYS 321 Ca -0.17 -4.56 0.12 0.00 -2.02 0.00 0.00 58.31 51.68 3dg8 n LYS 321 Cb 0.50 -2.34 0.26 0.00 -0.02 0.00 0.00 35.03 33.42 3dg8 n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dg8 n TYR 322 N 1.61 0.00 -1.95 2.13 4.01 -1.26 -4.84 117.16 116.85 3dg8 n TYR 322 Ca 0.25 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 3dg8 n TYR 322 Cb 0.37 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3dg8 n TYR 322 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3dg8 s HIS 323 N -2.54 3.02 0.58 -0.72 2.46 -1.26 -4.88 115.29 111.95 3dg8 s HIS 323 Ca 0.21 0.79 0.29 0.00 0.47 0.00 0.00 55.06 56.83 3dg8 s HIS 323 Cb 0.19 -3.90 1.48 0.00 -0.13 0.00 0.00 32.58 30.22 3dg8 s HIS 323 CO 0.56 -3.14 1.91 -1.35 -2.47 0.00 0.00 174.74 170.24 3dg8 h PRO 324 N 5.98 0.00 -0.07 2.88 0.11 -1.96 -0.61 132.00 138.33 3dg8 h PRO 324 Ca -0.44 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 3dg8 h PRO 324 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dg8 h PRO 324 CO 0.85 0.00 0.06 1.49 -0.21 0.00 0.00 178.00 180.20 3dg8 h GLU 325 N 0.00 0.00 0.00 1.05 4.81 -1.97 -1.01 114.58 117.46 3dg8 h GLU 325 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3dg8 h GLU 325 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3dg8 h GLU 325 CO -0.00 0.00 0.00 1.88 -0.73 0.00 0.00 179.01 180.16 3dg8 h TYR 326 N 0.00 0.00 -0.31 0.92 0.05 -1.43 -1.19 116.97 115.01 3dg8 h TYR 326 Ca 0.03 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 3dg8 h TYR 326 Cb 0.16 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3dg8 h TYR 326 CO 0.00 0.00 -0.12 1.96 -1.05 0.00 0.00 178.16 178.95 3dg8 h GLN 327 N 0.00 0.53 0.02 4.88 4.20 -1.36 0.67 115.11 124.04 3dg8 h GLN 327 Ca 0.00 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3dg8 h GLN 327 Cb 0.28 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3dg8 h GLN 327 CO 0.00 0.64 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.87 3dg8 h TYR 328 N 0.49 -0.03 -0.99 2.96 3.20 -1.41 -3.17 116.97 118.02 3dg8 h TYR 328 Ca 0.09 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3dg8 h TYR 328 Cb 0.50 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 3dg8 h TYR 328 CO 0.02 0.69 0.65 -0.07 -1.64 0.00 0.00 178.16 177.80 3dg8 h LEU 329 N -0.94 1.07 -1.20 2.82 3.38 -1.21 -1.76 115.31 117.47 3dg8 h LEU 329 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3dg8 h LEU 329 Cb 0.73 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3dg8 h LEU 329 CO 0.00 0.73 -0.16 0.78 0.09 0.00 0.00 178.44 179.88 3dg8 h ASN 330 N 1.24 0.34 -0.32 -0.43 2.35 0.23 -1.49 115.58 117.50 3dg8 h ASN 330 Ca 0.40 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.91 3dg8 h ASN 330 Cb 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3dg8 h ASN 330 CO -0.13 0.53 -0.38 0.40 -1.65 0.00 0.00 177.43 176.20 3dg8 h ILE 331 N 0.33 1.28 -0.40 2.81 2.04 -1.31 -0.21 117.51 122.04 3dg8 h ILE 331 Ca 0.06 -1.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 3dg8 h ILE 331 Cb 0.48 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3dg8 h ILE 331 CO 0.03 0.51 0.01 0.40 0.00 0.00 0.00 178.15 179.10 3dg8 h ILE 332 N 0.72 1.22 -0.33 -0.67 2.04 -0.87 0.25 117.51 119.86 3dg8 h ILE 332 Ca 0.06 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 3dg8 h ILE 332 Cb 0.95 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3dg8 h ILE 332 CO 0.09 0.30 -0.21 0.22 0.00 0.00 0.00 178.15 178.55 3dg8 h TYR 333 N 0.60 0.85 -0.64 1.37 3.20 -1.02 -1.88 116.97 119.46 3dg8 h TYR 333 Ca 0.12 -0.23 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 3dg8 h TYR 333 Cb 0.37 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3dg8 h TYR 333 CO 0.02 0.96 0.19 0.22 -1.64 0.00 0.00 178.16 177.90 3dg8 h ASP 334 N 0.50 0.91 -0.19 -2.11 3.58 -0.43 -0.56 116.42 118.12 3dg8 h ASP 334 Ca 0.07 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.25 3dg8 h ASP 334 Cb 0.76 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 3dg8 h ASP 334 CO 0.06 0.86 -0.30 0.40 -2.88 0.00 0.00 179.24 177.38 3dg8 h ILE 335 N 0.94 1.34 -0.72 2.25 2.04 -0.90 0.10 117.51 122.56 3dg8 h ILE 335 Ca 0.21 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 3dg8 h ILE 335 Cb 0.29 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3dg8 h ILE 335 CO -0.01 0.46 0.34 0.24 0.00 0.00 0.00 178.15 179.19 3dg8 h MET 336 N 0.20 1.04 0.07 2.37 2.86 -1.13 1.19 114.93 121.54 3dg8 h MET 336 Ca 0.02 -0.15 -0.28 0.00 -2.06 0.00 0.00 59.70 57.23 3dg8 h MET 336 Cb 0.88 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3dg8 h MET 336 CO 0.07 0.80 -1.39 0.52 1.06 0.00 0.00 176.91 177.97 3dg8 h MET 337 N 1.03 0.16 0.00 1.72 2.86 -1.08 -3.41 114.93 116.21 3dg8 h MET 337 Ca 0.25 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3dg8 h MET 337 Cb 0.12 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3dg8 h MET 337 CO -0.03 1.01 0.00 0.09 1.06 0.00 0.00 176.91 179.04 3dg8 n ASN 338 N -3.38 0.77 -4.58 1.22 3.02 0.36 -2.67 115.26 110.00 3dg8 n ASN 338 Ca -0.12 -0.94 -0.31 0.00 -0.03 0.00 0.00 54.58 53.18 3dg8 n ASN 338 Cb 1.02 0.08 0.16 0.00 -0.61 0.00 0.00 39.78 40.44 3dg8 n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dg8 n GLY 339 N 0.08 -0.99 3.85 7.41 0.00 0.41 -4.97 105.19 110.99 3dg8 n GLY 339 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 3dg8 n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dg8 s ASN 340 N -2.44 6.50 -0.04 1.61 0.01 1.00 -4.75 114.94 116.84 3dg8 s ASN 340 Ca 0.64 0.60 -0.28 0.00 -0.71 0.00 0.00 52.86 53.11 3dg8 s ASN 340 Cb -0.22 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 3dg8 s ASN 340 CO 0.61 0.35 0.90 -0.54 -1.51 0.00 0.00 177.10 176.92 3dg8 s LYS 341 N -0.85 4.50 -0.05 -0.60 1.02 -1.26 -0.52 119.74 121.97 3dg8 s LYS 341 Ca 0.17 1.26 -0.15 0.00 0.02 0.00 0.00 55.97 57.27 3dg8 s LYS 341 Cb -0.13 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3dg8 s LYS 341 CO 0.06 -0.06 0.35 -0.65 -0.92 0.00 0.00 175.35 174.13 3dg8 s GLN 342 N 1.12 0.62 0.06 1.68 -0.21 -0.49 -4.99 119.66 117.45 3dg8 s GLN 342 Ca 0.47 0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.96 3dg8 s GLN 342 Cb -0.20 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.06 3dg8 s GLN 342 CO 0.24 -0.15 -0.10 -1.54 -2.12 0.00 0.00 175.29 171.61 3dg8 s SER 343 N -0.86 4.36 0.55 5.90 1.04 -1.26 0.04 113.70 123.46 3dg8 s SER 343 Ca -0.09 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3dg8 s SER 343 Cb -0.04 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.21 3dg8 s SER 343 CO 0.03 0.23 0.00 0.47 0.98 0.00 0.00 173.24 174.95 3dg8 n ASP 344 N 1.14 0.00 0.00 7.02 8.00 -0.23 -4.90 116.55 127.57 3dg8 n ASP 344 Ca -0.15 -0.87 0.10 0.00 0.71 0.00 0.00 54.79 54.58 3dg8 n ASP 344 Cb 0.52 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 42.14 3dg8 n ASP 344 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3dg8 n ARG 345 N -0.87 0.28 -0.08 -1.24 1.85 -1.26 -2.65 116.66 112.69 3dg8 n ARG 345 Ca 0.00 0.09 -0.13 0.00 -1.00 0.00 0.00 57.85 56.82 3dg8 n ARG 345 Cb 0.00 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 29.76 3dg8 n ARG 345 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3dg8 n THR 346 N -1.29 1.49 0.00 8.89 -1.04 -1.26 -4.99 114.28 116.07 3dg8 n THR 346 Ca 0.10 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 3dg8 n THR 346 Cb 0.17 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 3dg8 n THR 346 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dg8 n GLY 347 N 1.86 2.31 3.77 3.41 0.00 -1.08 -5.09 105.19 110.36 3dg8 n GLY 347 Ca -0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 3dg8 n GLY 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dg8 s VAL 348 N -2.07 2.09 0.10 1.61 1.01 -1.26 -4.59 120.40 117.29 3dg8 s VAL 348 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3dg8 s VAL 348 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3dg8 s VAL 348 CO 0.00 0.01 0.18 -0.83 0.00 0.00 0.00 175.10 174.47 3dg8 s GLY 349 N -0.42 1.95 0.14 4.51 0.00 -1.26 -1.07 107.32 111.17 3dg8 s GLY 349 Ca 0.58 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 3dg8 s GLY 349 CO 0.58 -0.98 0.21 -1.34 0.00 0.00 0.00 173.10 171.57 3dg8 s VAL 350 N -1.58 0.09 -0.15 1.40 -7.23 0.11 -1.57 120.40 111.46 3dg8 s VAL 350 Ca 0.33 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3dg8 s VAL 350 Cb -0.12 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3dg8 s VAL 350 CO 0.26 -0.40 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.77 3dg8 s LEU 351 N -2.97 2.66 0.14 1.32 1.43 0.37 -1.40 118.68 120.24 3dg8 s LEU 351 Ca 0.17 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3dg8 s LEU 351 Cb 0.04 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3dg8 s LEU 351 CO -0.01 0.11 -0.13 -0.94 0.23 0.00 0.00 176.35 175.61 3dg8 s SER 352 N 0.71 2.00 0.19 2.29 1.04 0.32 -0.29 113.70 119.96 3dg8 s SER 352 Ca -0.06 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 3dg8 s SER 352 Cb -0.15 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3dg8 s SER 352 CO 0.02 -0.22 0.18 -0.54 0.98 0.00 0.00 173.24 173.66 3dg8 s LYS 353 N -3.22 1.19 -0.18 4.02 -0.14 -0.24 -0.00 119.74 121.18 3dg8 s LYS 353 Ca 0.14 -1.49 -0.02 0.00 -1.36 0.00 0.00 55.97 53.23 3dg8 s LYS 353 Cb -0.02 0.30 0.05 0.00 -1.68 0.00 0.00 37.83 36.49 3dg8 s LYS 353 CO 0.03 -0.40 0.02 0.12 -0.76 0.00 0.00 175.35 174.35 3dg8 s PHE 354 N -4.10 1.08 0.00 3.18 5.36 -1.26 -1.62 117.98 120.62 3dg8 s PHE 354 Ca 0.31 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 3dg8 s PHE 354 Cb 0.06 -1.04 0.00 0.00 -0.34 0.00 0.00 43.02 41.70 3dg8 s PHE 354 CO 0.08 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.68 3dg8 n GLY 355 N 5.04 -0.65 3.07 13.12 0.00 -0.19 -5.02 105.19 120.55 3dg8 n GLY 355 Ca -0.09 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 3dg8 n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dg8 s TYR 356 N 0.00 0.51 -0.01 1.61 2.02 -0.73 -4.97 117.35 115.77 3dg8 s TYR 356 Ca 0.00 -0.85 0.01 0.00 -0.37 0.00 0.00 57.07 55.85 3dg8 s TYR 356 Cb 0.00 -0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.22 3dg8 s TYR 356 CO 0.00 -0.27 -0.01 -1.50 -1.57 0.00 0.00 175.55 172.20 3dg8 s ILE 357 N -2.99 0.15 0.04 2.71 2.07 -1.26 -0.30 121.20 121.63 3dg8 s ILE 357 Ca -0.00 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 3dg8 s ILE 357 Cb 0.01 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 3dg8 s ILE 357 CO -0.06 0.09 -0.19 -0.04 -1.91 0.00 0.00 174.94 172.83 3dg8 s MET 358 N 0.48 1.29 -0.04 3.50 -1.94 0.20 -4.98 119.30 117.81 3dg8 s MET 358 Ca -0.04 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 3dg8 s MET 358 Cb -0.07 -1.38 0.00 0.00 2.01 0.00 0.00 34.83 35.39 3dg8 s MET 358 CO -0.01 0.35 -0.11 0.15 -0.01 0.00 0.00 175.02 175.39 3dg8 s LYS 359 N -1.16 1.26 -0.06 2.03 1.02 -1.26 -0.54 119.74 121.03 3dg8 s LYS 359 Ca 0.06 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.68 3dg8 s LYS 359 Cb -0.09 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.11 3dg8 s LYS 359 CO 0.02 0.13 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.41 3dg8 s PHE 360 N 0.23 1.27 -0.81 3.18 0.08 -0.63 -4.98 117.98 116.32 3dg8 s PHE 360 Ca -0.05 -0.44 -0.21 0.00 0.12 0.00 0.00 56.93 56.35 3dg8 s PHE 360 Cb -0.10 -0.95 0.09 0.00 -0.57 0.00 0.00 43.02 41.49 3dg8 s PHE 360 CO 0.01 -0.24 1.10 0.34 -0.10 0.00 0.00 175.22 176.33 3dg8 s ASP 361 N 0.65 6.39 0.52 1.36 -1.08 -1.26 -1.35 116.67 121.90 3dg8 s ASP 361 Ca -0.13 -1.45 0.35 0.00 -0.52 0.00 0.00 52.55 50.80 3dg8 s ASP 361 Cb -0.15 -2.43 1.73 0.00 -1.46 0.00 0.00 42.92 40.61 3dg8 s ASP 361 CO 0.03 -1.31 2.05 -0.07 0.52 0.00 0.00 175.17 176.38 3dg8 h LEU 362 N 11.21 0.00 -0.06 -1.34 3.38 -0.98 -0.76 115.31 126.76 3dg8 h LEU 362 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3dg8 h LEU 362 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dg8 h LEU 362 CO 1.18 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.48 3dg8 h SER 363 N 0.00 0.00 0.00 -0.43 4.64 -1.55 -3.26 113.55 112.95 3dg8 h SER 363 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dg8 h SER 363 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3dg8 h SER 363 CO 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 176.83 175.33 3dg8 n GLN 364 N -2.32 2.90 0.00 4.77 1.13 -0.32 -5.09 117.38 118.45 3dg8 n GLN 364 Ca 0.05 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3dg8 n GLN 364 Cb 0.42 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.70 3dg8 n GLN 364 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 3dg8 n TYR 365 N -1.32 0.00 -4.04 1.08 0.18 -1.00 -5.05 117.16 107.00 3dg8 n TYR 365 Ca 0.02 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.47 3dg8 n TYR 365 Cb 0.19 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.00 3dg8 n TYR 365 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 3dg8 s PHE 366 N -2.00 3.08 -0.88 -3.48 5.36 -0.68 -4.20 117.98 115.17 3dg8 s PHE 366 Ca 0.00 -1.89 -0.16 0.00 -0.96 0.00 0.00 56.93 53.92 3dg8 s PHE 366 Cb 0.00 -1.98 -0.11 0.00 -0.34 0.00 0.00 43.02 40.60 3dg8 s PHE 366 CO 0.00 -0.81 2.02 -0.35 -1.46 0.00 0.00 175.22 174.62 3dg8 n PRO 367 N 4.56 1.83 -3.50 10.12 -0.04 -1.26 -3.89 135.00 142.82 3dg8 n PRO 367 Ca -0.17 -1.78 -0.42 0.00 -0.04 0.00 0.00 63.50 61.09 3dg8 n PRO 367 Cb 0.46 -2.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 3dg8 n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dg8 s LEU 368 N 0.88 5.00 0.22 1.53 2.96 -1.26 -4.52 118.68 123.49 3dg8 s LEU 368 Ca 0.51 -0.93 -0.28 0.00 -0.22 0.00 0.00 54.13 53.21 3dg8 s LEU 368 Cb 0.13 -2.12 -0.16 0.00 0.50 0.00 0.00 46.19 44.54 3dg8 s LEU 368 CO 0.05 -0.43 0.66 0.18 -1.32 0.00 0.00 176.35 175.49 3dg8 n LEU 369 N 5.11 -0.40 -0.00 -0.68 4.77 -1.26 -4.79 117.00 119.76 3dg8 n LEU 369 Ca -0.11 1.14 0.05 0.00 -0.03 0.00 0.00 56.01 57.07 3dg8 n LEU 369 Cb 0.47 -1.04 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 3dg8 n LEU 369 CO 0.40 -2.54 -0.18 0.35 -1.33 0.00 0.00 177.39 174.09 3dg8 n THR 370 N 0.09 0.00 1.50 -5.08 -2.24 -1.26 -4.47 114.28 102.82 3dg8 n THR 370 Ca 0.16 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.77 3dg8 n THR 370 Cb 0.27 0.81 0.43 0.00 -2.10 0.00 0.00 70.33 69.73 3dg8 n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dg8 n THR 371 N -1.42 0.00 -3.58 4.28 -2.24 -1.26 -0.23 114.28 109.83 3dg8 n THR 371 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 3dg8 n THR 371 Cb 0.21 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 3dg8 n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3dg8 s LYS 372 N -2.00 0.55 0.16 -0.78 -2.85 -1.26 -4.72 119.74 108.84 3dg8 s LYS 372 Ca 0.22 0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 3dg8 s LYS 372 Cb 0.10 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 36.05 3dg8 s LYS 372 CO 0.17 -0.19 1.12 0.21 0.10 0.00 0.00 175.35 176.76 3dg8 s LYS 373 N -1.45 4.56 0.03 1.78 2.20 -1.19 -4.67 119.74 120.99 3dg8 s LYS 373 Ca 0.01 1.74 0.03 0.00 -0.36 0.00 0.00 55.97 57.39 3dg8 s LYS 373 Cb -0.01 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 3dg8 s LYS 373 CO -0.01 0.00 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.37 3dg8 s LEU 374 N -0.13 2.16 0.08 5.43 1.43 -1.26 -4.75 118.68 121.63 3dg8 s LEU 374 Ca 0.51 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3dg8 s LEU 374 Cb -0.30 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 3dg8 s LEU 374 CO 0.34 -0.03 -0.18 -0.36 0.23 0.00 0.00 176.35 176.35 3dg8 s PHE 375 N -0.83 2.55 -0.27 0.29 0.40 -1.26 -5.06 117.98 113.80 3dg8 s PHE 375 Ca -0.02 -0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3dg8 s PHE 375 Cb -0.07 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 3dg8 s PHE 375 CO 0.01 0.32 0.31 1.28 0.70 0.00 0.00 175.22 177.84 3dg8 n LEU 376 N 1.16 0.57 -0.21 -0.37 4.77 -1.26 -4.72 117.00 116.94 3dg8 n LEU 376 Ca -0.16 -0.68 0.01 0.00 -0.03 0.00 0.00 56.01 55.16 3dg8 n LEU 376 Cb 0.52 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.73 3dg8 n LEU 376 CO 0.28 0.13 0.91 -0.09 -1.33 0.00 0.00 177.39 177.28 3dg8 h ARG 377 N 0.27 0.23 -0.13 3.23 2.43 -1.99 -0.85 114.38 117.56 3dg8 h ARG 377 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3dg8 h ARG 377 Cb 0.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3dg8 h ARG 377 CO 0.00 0.15 0.07 0.78 -1.51 0.00 0.00 179.97 179.46 3dg8 h GLY 378 N 0.24 0.19 2.00 2.80 0.00 -1.96 -2.10 103.07 104.23 3dg8 h GLY 378 Ca 0.33 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 3dg8 h GLY 378 CO -0.44 0.09 -0.31 0.16 0.00 0.00 0.00 176.54 176.04 3dg8 h ILE 379 N 0.10 0.87 -0.10 2.60 3.07 -1.74 -1.02 117.51 121.29 3dg8 h ILE 379 Ca 0.04 -1.22 -0.18 0.00 1.55 0.00 0.00 64.86 65.06 3dg8 h ILE 379 Cb 0.09 1.73 0.01 0.00 -0.27 0.00 0.00 36.82 38.38 3dg8 h ILE 379 CO -0.01 0.30 -0.62 0.40 -1.05 0.00 0.00 178.15 177.17 3dg8 h ILE 380 N 0.00 1.34 -0.78 0.16 2.04 -1.04 -1.82 117.51 117.41 3dg8 h ILE 380 Ca -0.00 -1.91 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 3dg8 h ILE 380 Cb 0.71 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 3dg8 h ILE 380 CO 0.04 0.58 0.33 -0.33 0.00 0.00 0.00 178.15 178.78 3dg8 h GLU 381 N 0.24 1.15 -0.90 2.37 4.39 -1.17 -0.27 114.58 120.39 3dg8 h GLU 381 Ca -0.05 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3dg8 h GLU 381 Cb 1.27 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 3dg8 h GLU 381 CO 0.13 0.91 0.51 1.49 -1.16 0.00 0.00 179.01 180.89 3dg8 h GLU 382 N 1.13 1.25 -0.52 2.33 4.81 -1.12 0.78 114.58 123.24 3dg8 h GLU 382 Ca 0.26 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3dg8 h GLU 382 Cb 0.18 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3dg8 h GLU 382 CO -0.03 0.90 0.15 1.25 -0.73 0.00 0.00 179.01 180.56 3dg8 h LEU 383 N 1.26 0.76 -0.80 1.64 5.85 -0.40 0.79 115.31 124.41 3dg8 h LEU 383 Ca 0.32 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3dg8 h LEU 383 Cb 0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3dg8 h LEU 383 CO -0.05 0.77 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.47 3dg8 h LEU 384 N 0.71 0.60 -0.49 2.25 3.38 -0.74 -0.76 115.31 120.25 3dg8 h LEU 384 Ca 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3dg8 h LEU 384 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dg8 h LEU 384 CO -0.00 0.85 0.27 -0.25 0.09 0.00 0.00 178.44 179.40 3dg8 h TRP 385 N 0.51 0.68 0.46 1.13 7.01 -0.36 -0.90 115.95 124.47 3dg8 h TRP 385 Ca 0.07 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 3dg8 h TRP 385 Cb 0.74 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 3dg8 h TRP 385 CO 0.03 0.50 -0.22 0.74 -2.79 0.00 0.00 178.44 176.70 3dg8 h PHE 386 N 0.65 -0.57 -0.55 2.65 0.04 -0.43 -2.42 116.94 116.31 3dg8 h PHE 386 Ca 0.17 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.09 3dg8 h PHE 386 Cb 0.05 0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3dg8 h PHE 386 CO -0.02 -0.32 0.45 0.82 -0.60 0.00 0.00 178.31 178.64 3dg8 h ILE 387 N -0.68 0.57 0.00 -0.55 2.04 -0.83 0.67 117.51 118.72 3dg8 h ILE 387 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3dg8 h ILE 387 Cb 0.51 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3dg8 h ILE 387 CO 0.10 0.00 -0.10 0.54 0.00 0.00 0.00 178.15 178.70 3dg8 n ARG 388 N -4.11 0.07 -0.81 2.37 1.74 -0.37 -4.91 116.66 110.64 3dg8 n ARG 388 Ca 0.10 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3dg8 n ARG 388 Cb 0.67 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3dg8 n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dg8 n GLY 389 N 1.45 0.56 3.79 -0.13 0.00 0.23 -5.04 105.19 106.06 3dg8 n GLY 389 Ca 0.06 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3dg8 n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dg8 s GLU 390 N -0.65 3.38 0.00 1.61 2.02 -0.93 -3.71 118.70 120.41 3dg8 s GLU 390 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.38 3dg8 s GLU 390 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.20 3dg8 s GLU 390 CO 0.00 -0.79 0.48 0.25 0.02 0.00 0.00 175.26 175.23 3dg8 n THR 391 N -1.61 0.00 -2.97 3.63 -2.24 -1.26 -4.23 114.28 105.61 3dg8 n THR 391 Ca 0.10 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 3dg8 n THR 391 Cb 0.52 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 3dg8 n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dg8 s ASN 392 N -0.00 6.31 0.54 3.42 3.84 -1.26 -2.33 114.94 125.46 3dg8 s ASN 392 Ca 0.00 -0.51 0.27 0.00 0.21 0.00 0.00 52.86 52.83 3dg8 s ASN 392 Cb 0.00 -2.38 1.55 0.00 -0.55 0.00 0.00 41.25 39.87 3dg8 s ASN 392 CO 0.00 -1.06 2.13 1.23 -2.79 0.00 0.00 177.10 176.61 3dg8 h GLY 393 N 10.39 0.00 1.79 1.21 0.00 -1.24 -2.38 103.07 112.85 3dg8 h GLY 393 Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3dg8 h GLY 393 CO 1.02 0.00 0.13 3.43 0.00 0.00 0.00 176.54 181.12 3dg8 h ASN 394 N 0.00 0.24 -0.54 0.19 -0.26 -1.92 -2.03 115.58 111.26 3dg8 h ASN 394 Ca -0.00 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 3dg8 h ASN 394 Cb 0.22 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 3dg8 h ASN 394 CO 0.01 0.19 0.34 0.74 -1.06 0.00 0.00 177.43 177.65 3dg8 h THR 395 N 0.28 1.09 -0.23 2.81 2.02 -1.82 0.06 112.91 117.13 3dg8 h THR 395 Ca 0.08 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.88 3dg8 h THR 395 Cb -0.01 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3dg8 h THR 395 CO -0.01 0.12 -0.41 -0.07 0.37 0.00 0.00 175.52 175.51 3dg8 h LEU 396 N 0.68 0.76 -1.83 2.58 3.38 -1.59 -3.11 115.31 116.18 3dg8 h LEU 396 Ca 0.21 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3dg8 h LEU 396 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3dg8 h LEU 396 CO -0.08 1.15 -0.01 -0.07 0.09 0.00 0.00 178.44 179.52 3dg8 h LEU 397 N 0.39 0.08 -1.20 1.67 3.38 -1.05 0.64 115.31 119.22 3dg8 h LEU 397 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dg8 h LEU 397 Cb 1.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3dg8 h LEU 397 CO 0.09 0.11 -0.01 0.78 0.09 0.00 0.00 178.44 179.50 3dg8 h ASN 398 N 0.09 0.00 -0.73 -0.43 2.35 -0.92 -1.57 115.58 114.36 3dg8 h ASN 398 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3dg8 h ASN 398 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3dg8 h ASN 398 CO 0.00 0.01 0.00 0.29 -1.65 0.00 0.00 177.43 176.08 3dg8 n LYS 399 N -3.10 2.86 -3.20 0.81 5.02 0.05 -4.94 118.16 115.66 3dg8 n LYS 399 Ca 0.01 -2.70 -0.22 0.00 -2.02 0.00 0.00 58.31 53.38 3dg8 n LYS 399 Cb 0.35 -1.62 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 3dg8 n LYS 399 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dg8 n ASN 400 N 1.60 -6.11 -4.31 4.39 5.15 -0.59 -4.99 115.26 110.40 3dg8 n ASN 400 Ca 0.25 -0.37 -0.36 0.00 -0.60 0.00 0.00 54.58 53.50 3dg8 n ASN 400 Cb 0.66 -4.85 -0.13 0.00 -0.53 0.00 0.00 39.78 34.93 3dg8 n ASN 400 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dg8 s VAL 401 N -3.22 3.64 -1.09 3.44 1.01 -0.25 -4.99 120.40 118.94 3dg8 s VAL 401 Ca 0.40 -0.73 0.17 0.00 0.00 0.00 0.00 61.98 61.81 3dg8 s VAL 401 Cb -0.17 -2.84 0.58 0.00 0.00 0.00 0.00 36.38 33.94 3dg8 s VAL 401 CO 0.49 0.16 1.49 0.54 0.00 0.00 0.00 175.10 177.78 3dg8 n ARG 402 N 4.81 3.25 -0.32 2.72 1.74 -1.26 -3.25 116.66 124.35 3dg8 n ARG 402 Ca -0.15 -2.64 0.18 0.00 -0.77 0.00 0.00 57.85 54.47 3dg8 n ARG 402 Cb 0.48 -1.67 0.38 0.00 -1.02 0.00 0.00 32.46 30.63 3dg8 n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dg8 h ILE 403 N 3.30 0.30 -0.44 0.55 2.04 -1.96 -1.66 117.51 119.63 3dg8 h ILE 403 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3dg8 h ILE 403 Cb 1.19 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3dg8 h ILE 403 CO 0.13 0.05 0.00 0.79 0.00 0.00 0.00 178.15 179.12 3dg8 n TRP 404 N -5.14 0.59 0.06 1.37 7.02 -1.26 -4.72 117.44 115.35 3dg8 n TRP 404 Ca 0.27 -0.43 -0.11 0.00 -1.02 0.00 0.00 57.50 56.20 3dg8 n TRP 404 Cb 0.84 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.67 3dg8 n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3dg8 h GLU 405 N 3.01 -0.32 0.00 -0.99 4.81 -1.61 -2.46 114.58 117.02 3dg8 h GLU 405 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3dg8 h GLU 405 Cb 0.82 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 3dg8 h GLU 405 CO 0.00 -0.22 -0.05 0.00 -0.73 0.00 0.00 179.01 178.02 3dg8 h ALA 406 N 0.55 1.81 -0.00 2.92 0.00 -1.84 -1.77 119.26 120.91 3dg8 h ALA 406 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dg8 h ALA 406 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dg8 h ALA 406 CO -0.19 0.06 -0.06 0.09 0.00 0.00 0.00 179.25 179.14 3dg8 n ASN 407 N -4.31 0.11 -0.81 0.00 3.02 -0.95 -3.63 115.26 108.69 3dg8 n ASN 407 Ca -0.03 0.11 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 3dg8 n ASN 407 Cb 0.13 -0.31 0.20 0.00 -0.61 0.00 0.00 39.78 39.19 3dg8 n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dg8 n GLY 408 N 1.41 3.12 3.88 7.41 0.00 -0.67 -4.60 105.19 115.74 3dg8 n GLY 408 Ca 0.10 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 3dg8 n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dg8 s THR 409 N -1.59 4.06 0.14 2.61 -4.23 -1.23 0.30 115.64 115.71 3dg8 s THR 409 Ca 0.31 0.64 -0.18 0.00 -1.18 0.00 0.00 61.69 61.28 3dg8 s THR 409 Cb 0.20 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 3dg8 s THR 409 CO 0.15 -0.86 1.75 -0.09 -0.54 0.00 0.00 174.62 175.03 3dg8 h ARG 410 N -0.47 0.21 -0.13 3.99 9.65 -1.96 0.18 114.38 125.85 3dg8 h ARG 410 Ca -0.45 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 3dg8 h ARG 410 Cb 1.22 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 3dg8 h ARG 410 CO 0.63 0.14 0.08 0.93 2.80 0.00 0.00 179.97 184.55 3dg8 h GLU 411 N 0.21 0.18 -0.42 0.20 3.07 -1.96 0.12 114.58 115.98 3dg8 h GLU 411 Ca 0.12 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3dg8 h GLU 411 Cb 0.09 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3dg8 h GLU 411 CO -0.12 0.16 0.17 0.35 -1.40 0.00 0.00 179.01 178.16 3dg8 h PHE 412 N 0.14 0.65 -0.54 4.33 3.04 -1.76 -1.30 116.94 121.50 3dg8 h PHE 412 Ca 0.05 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 3dg8 h PHE 412 Cb 0.03 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 3dg8 h PHE 412 CO -0.06 0.56 0.14 -0.07 -2.02 0.00 0.00 178.31 176.87 3dg8 h LEU 413 N 0.54 0.80 -1.17 0.59 3.38 -0.47 -2.30 115.31 116.68 3dg8 h LEU 413 Ca 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3dg8 h LEU 413 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dg8 h LEU 413 CO -0.01 0.82 0.04 0.44 0.09 0.00 0.00 178.44 179.82 3dg8 h ASP 414 N 0.75 0.58 1.27 -0.43 3.32 -0.61 0.80 116.42 122.11 3dg8 h ASP 414 Ca 0.17 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3dg8 h ASP 414 Cb 0.32 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3dg8 h ASP 414 CO -0.00 0.62 0.00 0.78 -1.72 0.00 0.00 179.24 178.92 3dg8 h ASN 415 N 0.60 0.00 -0.07 6.45 4.21 -0.96 -1.17 115.58 124.64 3dg8 h ASN 415 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3dg8 h ASN 415 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3dg8 h ASN 415 CO 0.01 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.69 3dg8 n ARG 416 N -3.05 1.46 -1.20 0.81 5.12 -0.57 -4.88 116.66 114.35 3dg8 n ARG 416 Ca 0.02 -0.69 -0.07 0.00 -1.93 0.00 0.00 57.85 55.18 3dg8 n ARG 416 Cb 0.36 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.22 3dg8 n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3dg8 n LYS 417 N -0.13 -0.62 -2.48 5.56 4.76 -0.44 -4.93 118.16 119.89 3dg8 n LYS 417 Ca 0.18 0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 55.90 3dg8 n LYS 417 Cb 0.25 -4.50 0.01 0.00 -1.84 0.00 0.00 35.03 28.95 3dg8 n LYS 417 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dg8 n LEU 418 N -0.79 7.40 0.22 -0.35 4.77 0.17 -4.74 117.00 123.68 3dg8 n LEU 418 Ca -0.07 -5.17 0.05 0.00 -0.03 0.00 0.00 56.01 50.79 3dg8 n LEU 418 Cb 0.26 -1.26 0.48 0.00 -2.33 0.00 0.00 43.42 40.57 3dg8 n LEU 418 CO 0.11 1.96 0.88 -0.26 -1.33 0.00 0.00 177.39 178.75 3dg8 h PHE 419 N 4.59 0.01 -0.43 -1.77 0.04 -1.86 -2.39 116.94 115.12 3dg8 h PHE 419 Ca 0.53 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 3dg8 h PHE 419 Cb 0.37 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 3dg8 h PHE 419 CO 1.37 0.21 0.00 0.72 -0.60 0.00 0.00 178.31 180.01 3dg8 n HIS 420 N -4.30 1.48 -4.06 -0.55 8.25 -1.26 -4.88 115.22 109.90 3dg8 n HIS 420 Ca -0.02 -0.52 -0.35 0.00 -0.26 0.00 0.00 57.72 56.57 3dg8 n HIS 420 Cb 0.26 -0.37 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 3dg8 n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3dg8 s ARG 421 N -2.22 3.82 0.46 -0.41 6.06 -0.90 -5.08 118.95 120.67 3dg8 s ARG 421 Ca 0.40 -0.35 -0.23 0.00 -2.50 0.00 0.00 55.73 53.05 3dg8 s ARG 421 Cb 0.30 -3.15 -0.07 0.00 0.06 0.00 0.00 34.95 32.09 3dg8 s ARG 421 CO 0.13 0.35 1.18 -2.00 -2.50 0.00 0.00 175.30 172.46 3dg8 s GLU 422 N 0.13 3.77 0.16 5.12 2.12 -1.26 -4.94 118.70 123.80 3dg8 s GLU 422 Ca 0.04 1.81 -0.34 0.00 0.36 0.00 0.00 54.97 56.85 3dg8 s GLU 422 Cb -0.12 -2.44 -0.15 0.00 0.26 0.00 0.00 34.13 31.68 3dg8 s GLU 422 CO 0.01 -0.56 1.47 0.28 -0.54 0.00 0.00 175.26 175.92 3dg8 n VAL 423 N -0.43 0.24 -0.95 3.70 0.31 -1.26 -0.85 118.33 119.08 3dg8 n VAL 423 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3dg8 n VAL 423 Cb 0.48 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3dg8 n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dg8 n ASN 424 N 2.89 -2.36 -4.39 4.52 5.03 0.15 -4.95 115.26 116.15 3dg8 n ASN 424 Ca 0.16 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.16 3dg8 n ASN 424 Cb 0.27 -1.07 -0.04 0.00 -1.02 0.00 0.00 39.78 37.91 3dg8 n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3dg8 s ASP 425 N -2.28 6.31 0.00 6.41 -1.08 -0.03 -0.63 116.67 125.37 3dg8 s ASP 425 Ca 0.00 -1.62 0.20 0.00 -0.52 0.00 0.00 52.55 50.61 3dg8 s ASP 425 Cb 0.00 -2.32 1.09 0.00 -1.46 0.00 0.00 42.92 40.23 3dg8 s ASP 425 CO 0.00 -1.08 1.61 0.18 0.52 0.00 0.00 175.17 176.40 3dg8 n LEU 426 N 6.23 0.00 0.00 -1.34 4.77 -0.98 -4.73 117.00 120.94 3dg8 n LEU 426 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3dg8 n LEU 426 Cb 0.44 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3dg8 n LEU 426 CO 0.55 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3dg8 n GLY 427 N 0.33 -1.90 2.87 -0.72 0.00 -1.26 -1.60 105.19 102.91 3dg8 n GLY 427 Ca 0.12 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3dg8 n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dg8 n PRO 428 N 0.00 2.04 -0.74 1.61 -0.04 -1.26 -4.82 135.00 131.78 3dg8 n PRO 428 Ca 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 3dg8 n PRO 428 Cb 0.00 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 3dg8 n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3dg8 n ILE 429 N 5.30 0.00 -0.03 0.52 -5.35 -1.26 -4.62 119.36 113.92 3dg8 n ILE 429 Ca 0.51 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.98 3dg8 n ILE 429 Cb 0.34 -1.21 -0.01 0.00 -1.74 0.00 0.00 39.64 37.02 3dg8 n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3dg8 n TYR 430 N -1.14 -0.03 -0.14 4.28 4.01 -1.26 -0.63 117.16 122.25 3dg8 n TYR 430 Ca 0.00 0.08 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 3dg8 n TYR 430 Cb 0.00 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 3dg8 n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3dg8 h GLY 431 N 0.00 -0.70 0.55 2.72 0.00 -1.75 0.25 103.07 104.13 3dg8 h GLY 431 Ca 0.01 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.01 3dg8 h GLY 431 CO -0.06 -0.16 0.13 -2.75 0.00 0.00 0.00 176.54 173.70 3dg8 h PHE 432 N -0.35 0.22 -0.41 5.60 3.57 -0.95 -2.61 116.94 122.02 3dg8 h PHE 432 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3dg8 h PHE 432 Cb 0.59 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3dg8 h PHE 432 CO -0.66 0.07 -0.12 1.96 -2.23 0.00 0.00 178.31 177.32 3dg8 h GLN 433 N 0.28 0.73 -0.27 1.11 1.08 -0.46 0.58 115.11 118.16 3dg8 h GLN 433 Ca 0.21 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 3dg8 h GLN 433 Cb 0.22 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3dg8 h GLN 433 CO -0.23 0.82 -0.17 -1.49 -0.95 0.00 0.00 178.83 176.80 3dg8 h TRP 434 N 0.66 0.51 0.00 2.96 4.06 -0.23 -2.91 115.95 121.00 3dg8 h TRP 434 Ca 0.11 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3dg8 h TRP 434 Cb 0.58 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 3dg8 h TRP 434 CO 0.03 0.62 -1.59 0.54 -3.56 0.00 0.00 178.44 174.48 3dg8 n ARG 435 N -4.17 0.47 -1.84 0.49 5.12 -1.01 -1.53 116.66 114.19 3dg8 n ARG 435 Ca 0.00 -0.12 0.03 0.00 -1.93 0.00 0.00 57.85 55.83 3dg8 n ARG 435 Cb 0.35 -1.31 0.03 0.00 -1.16 0.00 0.00 32.46 30.37 3dg8 n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3dg8 n HIS 436 N -1.95 0.35 -1.66 -1.55 8.25 0.20 -3.13 115.22 115.73 3dg8 n HIS 436 Ca -0.02 -0.97 -0.51 0.00 -0.26 0.00 0.00 57.72 55.96 3dg8 n HIS 436 Cb 0.35 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 3dg8 n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dg8 n PHE 437 N 0.17 2.03 0.00 4.41 -0.00 -0.95 -1.84 117.46 121.28 3dg8 n PHE 437 Ca 0.07 0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 3dg8 n PHE 437 Cb 1.05 -2.50 0.00 0.00 -0.00 0.00 0.00 39.48 38.03 3dg8 n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dg8 n GLY 438 N 3.58 2.24 3.77 7.13 0.00 -1.26 0.12 105.19 120.77 3dg8 n GLY 438 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3dg8 n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dg8 s ALA 439 N -2.31 2.21 -0.18 4.61 0.00 -0.77 -4.84 121.76 120.48 3dg8 s ALA 439 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 3dg8 s ALA 439 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3dg8 s ALA 439 CO 0.00 -1.77 0.81 -1.21 0.00 0.00 0.00 175.76 173.59 3dg8 s GLU 440 N -4.94 4.27 0.25 0.00 0.41 -1.26 -4.99 118.70 112.43 3dg8 s GLU 440 Ca 0.61 0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 55.83 3dg8 s GLU 440 Cb -0.17 -3.58 -0.09 0.00 -1.78 0.00 0.00 34.13 28.51 3dg8 s GLU 440 CO 0.56 -0.35 1.07 -0.47 -0.49 0.00 0.00 175.26 175.58 3dg8 s TYR 441 N 2.22 3.66 0.00 1.61 5.04 -1.26 -4.96 117.35 123.67 3dg8 s TYR 441 Ca 0.37 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 3dg8 s TYR 441 Cb -0.16 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 38.93 3dg8 s TYR 441 CO 0.11 -0.36 0.00 0.25 -1.34 0.00 0.00 175.55 174.21 3dg8 n THR 442 N 1.54 0.00 -3.83 4.34 -2.24 -1.26 -5.08 114.28 107.75 3dg8 n THR 442 Ca -0.00 0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 3dg8 n THR 442 Cb 0.46 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 3dg8 n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dg8 s ASN 443 N -1.74 -0.09 0.00 3.42 2.20 -1.26 -5.05 114.94 112.42 3dg8 s ASN 443 Ca 0.00 -0.64 0.03 0.00 -0.94 0.00 0.00 52.86 51.31 3dg8 s ASN 443 Cb 0.00 0.48 0.14 0.00 -2.00 0.00 0.00 41.25 39.87 3dg8 s ASN 443 CO 0.00 -0.93 1.06 1.15 -2.94 0.00 0.00 177.10 175.44 3dg8 n MET 444 N -0.24 0.01 0.00 3.55 0.00 -1.26 -2.14 117.12 117.04 3dg8 n MET 444 Ca -0.10 0.39 0.10 0.00 0.00 0.00 0.00 57.70 58.09 3dg8 n MET 444 Cb 0.63 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.25 3dg8 n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3dg8 n TYR 445 N -1.44 0.00 -2.20 3.17 4.01 -1.26 -4.66 117.16 114.78 3dg8 n TYR 445 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 3dg8 n TYR 445 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 3dg8 n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dg8 s ASP 446 N -2.82 5.63 -0.45 7.72 -1.08 -0.91 -5.00 116.67 119.77 3dg8 s ASP 446 Ca 0.10 2.17 -0.15 0.00 -0.52 0.00 0.00 52.55 54.15 3dg8 s ASP 446 Cb 0.16 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 39.09 3dg8 s ASP 446 CO 0.78 -1.28 0.35 0.21 0.52 0.00 0.00 175.17 175.75 3dg8 s ASN 447 N -1.85 6.11 -0.28 -0.34 3.84 -1.26 -4.93 114.94 116.22 3dg8 s ASN 447 Ca 0.72 -1.17 0.04 0.00 0.21 0.00 0.00 52.86 52.66 3dg8 s ASN 447 Cb -0.24 -2.17 0.48 0.00 -0.55 0.00 0.00 41.25 38.77 3dg8 s ASN 447 CO 0.29 -0.57 1.59 -1.22 -2.79 0.00 0.00 177.10 174.40 3dg8 n TYR 448 N 5.17 2.00 -1.67 0.43 4.01 -1.26 -4.99 117.16 120.86 3dg8 n TYR 448 Ca -0.12 -1.27 -0.47 0.00 -0.16 0.00 0.00 57.90 55.88 3dg8 n TYR 448 Cb 0.45 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 3dg8 n TYR 448 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3dg8 n GLU 449 N -0.46 2.14 -2.31 -0.72 2.13 -1.26 -1.56 120.64 118.61 3dg8 n GLU 449 Ca 0.38 0.78 -0.17 0.00 0.66 0.00 0.00 57.16 58.80 3dg8 n GLU 449 Cb 1.24 -2.56 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 3dg8 n GLU 449 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3dg8 n ASN 450 N 4.25 -4.99 -4.25 4.31 3.02 -1.26 -5.01 115.26 111.33 3dg8 n ASN 450 Ca 0.18 -0.01 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 3dg8 n ASN 450 Cb 0.29 -4.09 -0.16 0.00 -0.61 0.00 0.00 39.78 35.20 3dg8 n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dg8 s LYS 451 N -4.82 2.53 0.14 3.52 -0.14 -0.60 -5.06 119.74 115.31 3dg8 s LYS 451 Ca 0.00 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 3dg8 s LYS 451 Cb 0.00 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 34.03 3dg8 s LYS 451 CO 0.00 0.36 0.00 0.41 -0.76 0.00 0.00 175.35 175.36 3dg8 n GLY 452 N 3.00 -1.63 3.72 -3.33 0.00 -1.26 -4.43 105.19 101.26 3dg8 n GLY 452 Ca -0.18 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 3dg8 n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dg8 s VAL 453 N -1.65 5.18 -1.03 1.61 1.01 0.12 -4.76 120.40 120.88 3dg8 s VAL 453 Ca 0.00 0.97 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 3dg8 s VAL 453 Cb 0.00 -3.82 0.15 0.00 0.00 0.00 0.00 36.38 32.70 3dg8 s VAL 453 CO 0.00 0.32 1.23 -0.62 0.00 0.00 0.00 175.10 176.03 3dg8 s ASP 454 N 0.65 6.80 0.13 3.32 -1.08 -1.18 -2.24 116.67 123.07 3dg8 s ASP 454 Ca 0.26 -2.43 -0.19 0.00 -0.52 0.00 0.00 52.55 49.68 3dg8 s ASP 454 Cb -0.15 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 3dg8 s ASP 454 CO 0.10 -0.93 1.78 1.56 0.52 0.00 0.00 175.17 178.21 3dg8 h GLN 455 N 8.17 0.31 -0.40 4.34 4.20 -1.52 -2.26 115.11 127.95 3dg8 h GLN 455 Ca 0.22 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.99 3dg8 h GLN 455 Cb 0.97 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.59 3dg8 h GLN 455 CO 1.15 0.21 -0.21 1.25 -0.67 0.00 0.00 178.83 180.55 3dg8 h LEU 456 N 0.32 -0.72 -0.23 1.46 5.85 -1.76 0.83 115.31 121.06 3dg8 h LEU 456 Ca 0.10 0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3dg8 h LEU 456 Cb -0.01 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3dg8 h LEU 456 CO -0.04 -0.24 0.06 0.11 -0.34 0.00 0.00 178.44 177.99 3dg8 h LYS 457 N -0.14 0.16 -0.55 1.25 1.79 -1.81 -2.26 116.57 115.00 3dg8 h LYS 457 Ca 0.19 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.71 3dg8 h LYS 457 Cb 0.44 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 3dg8 h LYS 457 CO -0.49 0.10 0.26 -0.91 -1.08 0.00 0.00 179.45 177.34 3dg8 h ASN 458 N 0.16 0.35 0.55 0.86 2.35 -0.61 -1.34 115.58 117.90 3dg8 h ASN 458 Ca 0.10 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3dg8 h ASN 458 Cb 0.08 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3dg8 h ASN 458 CO -0.12 0.24 -0.56 0.16 -1.65 0.00 0.00 177.43 175.50 3dg8 h ILE 459 N 0.50 1.40 -0.17 2.81 3.07 -0.74 -0.57 117.51 123.81 3dg8 h ILE 459 Ca 0.25 -1.91 -0.10 0.00 1.55 0.00 0.00 64.86 64.65 3dg8 h ILE 459 Cb 0.19 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.76 3dg8 h ILE 459 CO -0.19 0.55 -0.33 0.40 -1.05 0.00 0.00 178.15 177.53 3dg8 h ILE 460 N 0.01 1.28 0.06 0.16 2.04 -0.81 -1.45 117.51 118.81 3dg8 h ILE 460 Ca -0.01 -1.37 -0.24 0.00 1.00 0.00 0.00 64.86 64.25 3dg8 h ILE 460 Cb 0.99 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3dg8 h ILE 460 CO 0.07 0.42 -1.08 0.78 0.00 0.00 0.00 178.15 178.35 3dg8 h ASN 461 N 0.31 0.37 -0.53 1.72 2.35 -0.91 -2.72 115.58 116.17 3dg8 h ASN 461 Ca 0.04 -0.36 -0.12 0.00 -0.55 0.00 0.00 56.30 55.32 3dg8 h ASN 461 Cb 0.73 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3dg8 h ASN 461 CO 0.06 1.22 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.86 3dg8 h LEU 462 N 0.11 1.03 -0.90 1.61 3.38 -0.93 -1.16 115.31 118.44 3dg8 h LEU 462 Ca -0.09 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3dg8 h LEU 462 Cb 1.77 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 3dg8 h LEU 462 CO 0.17 1.15 0.19 0.40 0.09 0.00 0.00 178.44 180.45 3dg8 h ILE 463 N 0.90 1.24 -0.02 1.22 2.04 -1.29 0.38 117.51 121.98 3dg8 h ILE 463 Ca 0.13 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3dg8 h ILE 463 Cb 0.70 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3dg8 h ILE 463 CO 0.05 0.33 -0.09 0.11 0.00 0.00 0.00 178.15 178.55 3dg8 h LYS 464 N 0.96 0.10 0.02 2.37 1.57 -1.32 -3.30 116.57 116.96 3dg8 h LYS 464 Ca 0.21 -0.08 -0.35 0.00 -1.87 0.00 0.00 60.65 58.57 3dg8 h LYS 464 Cb 0.29 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 3dg8 h LYS 464 CO -0.01 0.73 -2.12 0.09 -0.57 0.00 0.00 179.45 177.58 3dg8 n ASN 465 N -4.68 0.88 -3.08 0.86 3.02 -0.45 -4.67 115.26 107.14 3dg8 n ASN 465 Ca -0.09 0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 3dg8 n ASN 465 Cb 0.37 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3dg8 n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dg8 n ASP 466 N -3.02 2.49 0.31 6.41 2.03 0.13 -4.96 116.55 119.94 3dg8 n ASP 466 Ca -0.29 -3.32 0.16 0.00 0.52 0.00 0.00 54.79 51.87 3dg8 n ASP 466 Cb 1.08 -0.59 0.85 0.00 -0.72 0.00 0.00 41.12 41.74 3dg8 n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3dg8 h PRO 467 N 3.00 0.00 -0.01 -0.67 0.13 -1.53 -0.96 132.00 131.97 3dg8 h PRO 467 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dg8 h PRO 467 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3dg8 h PRO 467 CO 0.65 0.00 -0.21 0.25 -0.23 0.00 0.00 178.00 178.45 3dg8 n THR 468 N -3.00 0.00 -1.55 1.56 -2.24 -1.26 -3.87 114.28 103.91 3dg8 n THR 468 Ca -0.01 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 3dg8 n THR 468 Cb 0.37 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3dg8 n THR 468 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3dg8 n SER 469 N -0.59 0.08 -0.51 3.42 2.88 -0.36 -4.91 113.62 113.62 3dg8 n SER 469 Ca 0.13 0.81 0.06 0.00 -1.33 0.00 0.00 58.87 58.55 3dg8 n SER 469 Cb 0.34 -1.29 0.19 0.00 -0.75 0.00 0.00 64.21 62.70 3dg8 n SER 469 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3dg8 n ARG 470 N -0.43 1.59 -0.13 -1.46 1.74 -1.26 -4.49 116.66 112.22 3dg8 n ARG 470 Ca 0.12 -3.04 0.05 0.00 -0.77 0.00 0.00 57.85 54.21 3dg8 n ARG 470 Cb 0.46 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 3dg8 n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dg8 n ARG 471 N -1.19 1.30 -2.67 5.56 1.74 -1.26 -4.94 116.66 115.20 3dg8 n ARG 471 Ca 0.20 -1.79 -0.43 0.00 -0.77 0.00 0.00 57.85 55.06 3dg8 n ARG 471 Cb 0.73 -1.08 -0.01 0.00 -1.02 0.00 0.00 32.46 31.08 3dg8 n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dg8 s ILE 472 N -1.56 4.27 0.09 0.55 1.01 -1.26 -4.93 121.20 119.37 3dg8 s ILE 472 Ca 0.15 -1.69 0.07 0.00 0.00 0.00 0.00 60.65 59.17 3dg8 s ILE 472 Cb 0.13 -5.07 -0.03 0.00 0.01 0.00 0.00 42.46 37.49 3dg8 s ILE 472 CO 0.01 -1.89 -0.18 -0.76 0.00 0.00 0.00 174.94 172.12 3dg8 s LEU 473 N 3.85 2.28 -0.23 2.97 1.02 -1.26 -0.84 118.68 126.47 3dg8 s LEU 473 Ca 0.48 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 54.00 3dg8 s LEU 473 Cb 0.01 -0.74 0.05 0.00 0.02 0.00 0.00 46.19 45.53 3dg8 s LEU 473 CO 0.00 0.01 -0.10 -0.22 0.02 0.00 0.00 176.35 176.07 3dg8 s LEU 474 N -1.78 2.75 -0.21 1.79 2.96 0.21 -4.90 118.68 119.50 3dg8 s LEU 474 Ca 0.03 -1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 52.77 3dg8 s LEU 474 Cb -0.10 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3dg8 s LEU 474 CO 0.03 -0.18 -0.03 0.00 -1.32 0.00 0.00 176.35 174.86 3dg8 n ALA 476 N 4.51 3.17 -2.59 0.00 0.00 -0.25 -4.72 120.51 120.63 3dg8 n ALA 476 Ca -0.18 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 3dg8 n ALA 476 Cb 0.51 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 3dg8 n ALA 476 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3dg8 s TRP 477 N -3.31 2.77 -0.77 0.00 -0.11 -1.23 -4.80 118.94 111.50 3dg8 s TRP 477 Ca -0.00 -1.56 -0.21 0.00 1.22 0.00 0.00 56.10 55.55 3dg8 s TRP 477 Cb 0.13 -4.74 0.10 0.00 -1.50 0.00 0.00 33.47 27.46 3dg8 s TRP 477 CO 0.83 -1.81 1.01 1.21 -4.62 0.00 0.00 176.95 173.57 3dg8 s ASN 478 N 4.27 6.36 0.43 5.86 3.84 -1.26 -4.91 114.94 129.53 3dg8 s ASN 478 Ca 0.53 -1.47 0.27 0.00 0.21 0.00 0.00 52.86 52.40 3dg8 s ASN 478 Cb 0.03 -2.40 1.33 0.00 -0.55 0.00 0.00 41.25 39.66 3dg8 s ASN 478 CO 0.06 -1.26 1.67 0.58 -2.79 0.00 0.00 177.10 175.36 3dg8 h VAL 479 N 5.92 0.23 -0.07 -5.21 2.07 -2.01 0.45 116.25 117.64 3dg8 h VAL 479 Ca -0.10 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 3dg8 h VAL 479 Cb 1.05 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3dg8 h VAL 479 CO 1.15 0.03 -0.70 0.50 0.02 0.00 0.00 177.57 178.57 3dg8 h LYS 480 N 0.17 0.35 -0.01 1.57 3.64 -2.01 -3.25 116.57 117.03 3dg8 h LYS 480 Ca 0.75 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3dg8 h LYS 480 Cb 2.26 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 34.13 3dg8 h LYS 480 CO -0.39 0.92 -0.18 -0.25 -2.27 0.00 0.00 179.45 177.27 3dg8 n ASP 481 N -3.83 1.46 -0.24 4.20 8.00 0.10 -4.60 116.55 121.63 3dg8 n ASP 481 Ca -0.04 -1.25 -0.07 0.00 0.71 0.00 0.00 54.79 54.14 3dg8 n ASP 481 Cb 0.69 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.89 3dg8 n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dg8 h LEU 482 N 2.01 -1.46 -0.09 0.64 3.38 -1.46 -0.04 115.31 118.29 3dg8 h LEU 482 Ca 0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dg8 h LEU 482 Cb 0.58 0.69 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3dg8 h LEU 482 CO 0.00 -0.32 0.00 0.47 0.09 0.00 0.00 178.44 178.68 3dg8 n ASP 483 N -5.41 0.06 -0.11 -0.43 8.00 -1.26 -2.21 116.55 115.19 3dg8 n ASP 483 Ca 0.03 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.17 3dg8 n ASP 483 Cb 0.35 -0.53 0.14 0.00 -0.02 0.00 0.00 41.12 41.06 3dg8 n ASP 483 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dg8 n GLN 484 N -1.57 0.31 -3.37 -1.24 6.02 -0.04 -4.91 117.38 112.57 3dg8 n GLN 484 Ca 0.02 -0.21 -0.32 0.00 -0.01 0.00 0.00 57.00 56.48 3dg8 n GLN 484 Cb 0.13 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 3dg8 n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3dg8 s MET 485 N -2.84 3.86 0.29 -1.09 -1.94 -0.94 -4.20 119.30 112.43 3dg8 s MET 485 Ca 0.14 0.36 0.04 0.00 -1.71 0.00 0.00 55.69 54.51 3dg8 s MET 485 Cb 0.17 -2.66 0.69 0.00 2.01 0.00 0.00 34.83 35.04 3dg8 s MET 485 CO 0.70 0.32 1.75 0.00 -0.01 0.00 0.00 175.02 177.77 3dg8 h ALA 486 N 2.66 1.50 -2.04 3.03 0.00 -1.62 -3.42 119.26 119.37 3dg8 h ALA 486 Ca -0.47 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3dg8 h ALA 486 Cb 1.17 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 3dg8 h ALA 486 CO 0.68 -0.16 0.14 -0.48 0.00 0.00 0.00 179.25 179.44 3dg8 s LEU 487 N -10.37 -0.58 0.57 0.00 2.34 -1.26 -4.96 118.68 104.41 3dg8 s LEU 487 Ca -0.12 0.86 -0.21 0.00 0.06 0.00 0.00 54.13 54.73 3dg8 s LEU 487 Cb 0.24 2.44 -0.04 0.00 -0.56 0.00 0.00 46.19 48.26 3dg8 s LEU 487 CO 0.79 -0.51 1.30 -2.65 -1.06 0.00 0.00 176.35 174.23 3dg8 n PRO 488 N 1.38 1.52 -1.88 1.48 -0.02 -1.26 -4.93 135.00 131.30 3dg8 n PRO 488 Ca -0.18 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 3dg8 n PRO 488 Cb 0.56 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3dg8 n PRO 488 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dg8 s PRO 489 N -2.93 4.18 0.10 0.52 0.04 -1.26 -4.90 135.00 130.75 3dg8 s PRO 489 Ca 0.74 2.46 0.08 0.00 0.04 0.00 0.00 61.00 64.31 3dg8 s PRO 489 Cb -0.42 -3.06 -0.21 0.00 0.04 0.00 0.00 34.50 30.86 3dg8 s PRO 489 CO 0.48 -0.54 1.21 0.00 0.04 0.00 0.00 177.00 178.19 3dg8 s HIS 491 N -2.70 3.37 0.07 0.00 3.76 -1.26 -1.40 115.29 117.13 3dg8 s HIS 491 Ca 0.00 -1.57 -0.34 0.00 -0.15 0.00 0.00 55.06 53.01 3dg8 s HIS 491 Cb 0.10 -3.72 -0.19 0.00 1.11 0.00 0.00 32.58 29.87 3dg8 s HIS 491 CO 0.82 -1.01 1.61 0.82 -0.85 0.00 0.00 174.74 176.13 3dg8 h ILE 492 N 5.75 0.28 -3.38 0.60 1.08 -1.38 -3.42 117.51 117.05 3dg8 h ILE 492 Ca -0.21 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 3dg8 h ILE 492 Cb 1.08 0.28 -0.09 0.00 -3.07 0.00 0.00 36.82 35.02 3dg8 h ILE 492 CO 0.95 0.00 0.01 -1.48 -0.69 0.00 0.00 178.15 176.94 3dg8 s LEU 493 N -10.04 0.12 -0.06 1.44 0.05 -1.24 -1.09 118.68 107.86 3dg8 s LEU 493 Ca -0.18 -0.67 0.02 0.00 0.05 0.00 0.00 54.13 53.35 3dg8 s LEU 493 Cb 0.03 2.10 0.02 0.00 -2.05 0.00 0.00 46.19 46.29 3dg8 s LEU 493 CO 0.61 -1.14 -0.09 0.00 -0.55 0.00 0.00 176.35 175.18 3dg8 s GLN 495 N 0.73 2.23 0.22 0.00 0.74 0.16 -0.62 119.66 123.12 3dg8 s GLN 495 Ca -0.13 -0.91 0.07 0.00 0.05 0.00 0.00 55.36 54.43 3dg8 s GLN 495 Cb -0.15 -2.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 3dg8 s GLN 495 CO 0.02 0.49 0.14 -0.06 -0.55 0.00 0.00 175.29 175.33 3dg8 s PHE 496 N -0.44 3.06 -0.03 1.67 0.08 -0.02 -0.87 117.98 121.43 3dg8 s PHE 496 Ca 0.05 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3dg8 s PHE 496 Cb -0.11 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3dg8 s PHE 496 CO 0.01 0.53 0.06 -0.47 -0.10 0.00 0.00 175.22 175.25 3dg8 s TYR 497 N -1.98 -0.04 -0.13 0.36 5.04 -0.74 -4.70 117.35 115.16 3dg8 s TYR 497 Ca 0.32 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.16 3dg8 s TYR 497 Cb -0.09 -0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.11 3dg8 s TYR 497 CO 0.23 -0.09 -0.15 0.08 -1.34 0.00 0.00 175.55 174.28 3dg8 s VAL 498 N 0.81 1.58 -0.03 3.14 1.01 -1.25 -0.93 120.40 124.73 3dg8 s VAL 498 Ca -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3dg8 s VAL 498 Cb -0.09 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.86 3dg8 s VAL 498 CO -0.03 0.46 0.07 0.12 0.00 0.00 0.00 175.10 175.72 3dg8 s PHE 499 N 1.22 -0.04 -1.33 5.22 5.36 -0.48 -4.72 117.98 123.21 3dg8 s PHE 499 Ca -0.01 0.23 -0.21 0.00 -0.96 0.00 0.00 56.93 55.98 3dg8 s PHE 499 Cb -0.14 -0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.42 3dg8 s PHE 499 CO -0.06 -0.10 0.40 -3.47 -1.46 0.00 0.00 175.22 170.53 3dg8 n ASP 500 N 3.99 -2.02 -0.29 6.13 2.03 -1.26 -0.21 116.55 124.92 3dg8 n ASP 500 Ca -0.25 -1.28 -0.04 0.00 0.52 0.00 0.00 54.79 53.75 3dg8 n ASP 500 Cb 0.52 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 3dg8 n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dg8 n GLY 501 N -2.28 0.53 3.38 0.27 0.00 -1.26 -4.99 105.19 100.84 3dg8 n GLY 501 Ca -0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3dg8 n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dg8 s LYS 502 N -1.80 2.21 -0.13 1.61 1.02 0.71 -1.25 119.74 122.11 3dg8 s LYS 502 Ca 0.00 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.12 3dg8 s LYS 502 Cb 0.00 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 3dg8 s LYS 502 CO 0.00 0.57 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.68 3dg8 s LEU 503 N -0.80 2.55 0.24 3.17 2.96 0.58 -1.38 118.68 126.00 3dg8 s LEU 503 Ca 0.11 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3dg8 s LEU 503 Cb -0.10 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3dg8 s LEU 503 CO 0.00 0.15 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.63 3dg8 s SER 504 N 0.45 4.06 -0.01 3.68 0.01 -0.10 0.16 113.70 121.94 3dg8 s SER 504 Ca -0.11 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.39 3dg8 s SER 504 Cb -0.16 -0.59 0.01 0.00 0.21 0.00 0.00 66.02 65.49 3dg8 s SER 504 CO 0.05 0.06 -0.01 0.00 0.41 0.00 0.00 173.24 173.75 3dg8 s ILE 506 N 0.40 3.58 -0.09 0.00 1.01 -0.05 0.16 121.20 126.21 3dg8 s ILE 506 Ca -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3dg8 s ILE 506 Cb -0.06 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3dg8 s ILE 506 CO -0.01 0.49 -0.21 -0.32 0.00 0.00 0.00 174.94 174.89 3dg8 s MET 507 N 0.55 2.71 -0.23 2.79 1.75 0.12 -0.67 119.30 126.34 3dg8 s MET 507 Ca -0.04 -0.77 -0.07 0.00 -1.25 0.00 0.00 55.69 53.55 3dg8 s MET 507 Cb -0.15 -2.08 -0.03 0.00 2.84 0.00 0.00 34.83 35.41 3dg8 s MET 507 CO 0.03 0.15 0.07 -0.47 -0.65 0.00 0.00 175.02 174.15 3dg8 s TYR 508 N 0.39 3.12 -0.23 4.11 6.14 -0.57 -0.84 117.35 129.47 3dg8 s TYR 508 Ca -0.17 -0.27 -0.05 0.00 0.64 0.00 0.00 57.07 57.22 3dg8 s TYR 508 Cb -0.17 -2.19 -0.02 0.00 0.42 0.00 0.00 41.96 40.00 3dg8 s TYR 508 CO 0.08 -0.20 0.01 -1.14 0.64 0.00 0.00 175.55 174.93 3dg8 s GLN 509 N 1.24 3.50 0.15 4.97 0.74 0.09 -1.19 119.66 129.16 3dg8 s GLN 509 Ca 0.05 -0.56 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 3dg8 s GLN 509 Cb -0.14 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 3dg8 s GLN 509 CO 0.03 -0.18 1.36 0.07 -0.55 0.00 0.00 175.29 176.02 3dg8 h ARG 510 N 8.13 0.41 -4.14 1.67 0.11 -1.54 0.37 114.38 119.39 3dg8 h ARG 510 Ca -0.40 -0.39 -0.41 0.00 0.10 0.00 0.00 59.98 58.89 3dg8 h ARG 510 Cb 1.17 0.10 -0.33 0.00 1.11 0.00 0.00 29.97 32.01 3dg8 h ARG 510 CO 0.59 1.04 -0.77 0.45 0.10 0.00 0.00 179.97 181.38 3dg8 s SER 511 N -7.03 0.97 -0.11 0.08 0.15 -1.26 -1.25 113.70 105.26 3dg8 s SER 511 Ca -0.06 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 3dg8 s SER 511 Cb 0.10 -0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3dg8 s SER 511 CO 0.85 -0.02 0.02 0.00 1.20 0.00 0.00 173.24 175.29 3dg8 s ASP 513 N 1.97 6.39 0.24 0.00 2.15 -1.26 -1.54 116.67 124.62 3dg8 s ASP 513 Ca 0.03 -1.52 -0.05 0.00 0.43 0.00 0.00 52.55 51.44 3dg8 s ASP 513 Cb -0.14 -2.40 0.43 0.00 -0.30 0.00 0.00 42.92 40.51 3dg8 s ASP 513 CO -0.06 -1.24 1.74 -0.07 -0.17 0.00 0.00 175.17 175.37 3dg8 h LEU 514 N 10.83 0.33 -0.83 -1.34 -0.00 -1.77 -0.48 115.31 122.05 3dg8 h LEU 514 Ca -0.07 0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.83 3dg8 h LEU 514 Cb 1.05 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 3dg8 h LEU 514 CO 1.15 0.15 0.06 1.23 -0.00 0.00 0.00 178.44 181.02 3dg8 h GLY 515 N 0.49 1.00 0.00 0.83 0.00 -1.91 -3.39 103.07 100.09 3dg8 h GLY 515 Ca 0.40 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3dg8 h GLY 515 CO -0.37 0.61 -1.10 1.04 0.00 0.00 0.00 176.54 176.73 3dg8 n LEU 516 N -4.22 2.14 -0.03 3.11 4.77 -1.14 -4.89 117.00 116.75 3dg8 n LEU 516 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 3dg8 n LEU 516 Cb 0.29 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 3dg8 n LEU 516 CO 0.42 0.38 0.32 1.23 -1.33 0.00 0.00 177.39 178.41 3dg8 h GLY 517 N 0.07 -0.05 -0.57 -0.72 0.00 -1.34 -3.38 103.07 97.08 3dg8 h GLY 517 Ca -0.04 0.02 0.20 0.00 0.00 0.00 0.00 47.33 47.51 3dg8 h GLY 517 CO -0.01 -0.02 -0.01 -2.08 0.00 0.00 0.00 176.54 174.42 3dg8 h VAL 518 N -0.94 0.23 -0.67 4.60 2.07 -1.59 0.49 116.25 120.44 3dg8 h VAL 518 Ca -0.01 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.63 3dg8 h VAL 518 Cb 0.63 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 3dg8 h VAL 518 CO 0.01 0.01 0.11 -0.65 0.02 0.00 0.00 177.57 177.07 3dg8 h PRO 519 N 0.07 0.21 -0.28 1.57 0.11 -1.78 0.52 132.00 132.43 3dg8 h PRO 519 Ca 0.47 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.38 3dg8 h PRO 519 Cb 0.86 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3dg8 h PRO 519 CO -0.76 0.14 -0.56 0.74 -0.21 0.00 0.00 178.00 177.34 3dg8 h PHE 520 N 0.22 1.09 -0.95 0.65 0.04 -1.17 -3.14 116.94 113.67 3dg8 h PHE 520 Ca 0.36 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3dg8 h PHE 520 Cb 0.60 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 3dg8 h PHE 520 CO -0.29 1.22 0.60 -0.91 -0.60 0.00 0.00 178.31 178.33 3dg8 h ASN 521 N 0.66 1.12 -0.81 2.17 -0.26 0.24 0.27 115.58 118.97 3dg8 h ASN 521 Ca 0.01 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3dg8 h ASN 521 Cb 1.17 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 38.11 3dg8 h ASN 521 CO 0.12 0.84 0.50 0.40 -1.06 0.00 0.00 177.43 178.24 3dg8 h ILE 522 N 1.30 1.22 -0.03 2.81 2.04 -0.96 -2.55 117.51 121.35 3dg8 h ILE 522 Ca 0.35 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3dg8 h ILE 522 Cb -0.10 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.06 3dg8 h ILE 522 CO -0.07 0.23 -0.01 0.00 0.00 0.00 0.00 178.15 178.30 3dg8 h ALA 523 N 1.27 0.04 -0.04 1.87 0.00 -1.31 -2.44 119.26 118.64 3dg8 h ALA 523 Ca 0.29 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dg8 h ALA 523 Cb -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3dg8 h ALA 523 CO -0.06 -0.25 -0.52 0.77 0.00 0.00 0.00 179.25 179.20 3dg8 h SER 524 N -0.33 -1.60 0.57 0.00 0.02 -0.82 0.01 113.55 111.40 3dg8 h SER 524 Ca 0.01 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3dg8 h SER 524 Cb 0.42 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3dg8 h SER 524 CO 0.00 -0.50 -0.36 1.88 -1.14 0.00 0.00 176.83 176.72 3dg8 h TYR 525 N -0.63 0.00 -0.27 3.45 -1.99 -1.56 -0.18 116.97 115.79 3dg8 h TYR 525 Ca 0.03 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 3dg8 h TYR 525 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 3dg8 h TYR 525 CO -0.52 0.36 -0.00 0.77 -0.00 0.00 0.00 178.16 178.77 3dg8 h SER 526 N 0.00 0.46 -0.53 3.88 0.02 -1.03 -0.37 113.55 115.99 3dg8 h SER 526 Ca -0.00 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3dg8 h SER 526 Cb 0.74 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3dg8 h SER 526 CO 0.05 0.66 0.32 0.40 -1.14 0.00 0.00 176.83 177.11 3dg8 h ILE 527 N 0.25 1.16 -0.63 3.27 2.04 -0.61 -2.28 117.51 120.72 3dg8 h ILE 527 Ca 0.08 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3dg8 h ILE 527 Cb 0.42 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3dg8 h ILE 527 CO 0.01 0.16 0.39 0.15 0.00 0.00 0.00 178.15 178.87 3dg8 h PHE 528 N 0.71 0.74 -0.51 1.37 3.57 -0.79 -1.14 116.94 120.88 3dg8 h PHE 528 Ca 0.19 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3dg8 h PHE 528 Cb -0.01 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3dg8 h PHE 528 CO -0.03 0.44 0.31 1.15 -2.23 0.00 0.00 178.31 177.95 3dg8 h THR 529 N 0.79 1.15 -0.29 4.41 2.02 -0.73 0.05 112.91 120.30 3dg8 h THR 529 Ca 0.24 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3dg8 h THR 529 Cb -0.02 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3dg8 h THR 529 CO -0.09 0.15 0.09 0.45 0.37 0.00 0.00 175.52 176.50 3dg8 h HIS 530 N 0.71 0.46 0.25 3.16 3.86 -0.72 -0.66 115.15 122.20 3dg8 h HIS 530 Ca 0.19 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3dg8 h HIS 530 Cb -0.03 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.31 3dg8 h HIS 530 CO 0.00 0.49 -0.12 0.52 0.86 0.00 0.00 177.93 179.68 3dg8 h MET 531 N 0.30 -0.32 -0.99 2.45 2.07 -0.32 -1.51 114.93 116.60 3dg8 h MET 531 Ca 0.09 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.77 3dg8 h MET 531 Cb 0.24 0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 29.99 3dg8 h MET 531 CO -0.00 -0.21 0.65 0.82 1.07 0.00 0.00 176.91 179.24 3dg8 h ILE 532 N -0.34 1.21 0.24 -1.22 1.08 -0.98 -2.27 117.51 115.22 3dg8 h ILE 532 Ca -0.03 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 3dg8 h ILE 532 Cb 0.26 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 33.81 3dg8 h ILE 532 CO 0.06 0.24 -0.12 0.00 -0.69 0.00 0.00 178.15 177.63 3dg8 h ALA 533 N 1.39 -0.33 0.17 1.87 0.00 -0.86 -2.78 119.26 118.72 3dg8 h ALA 533 Ca 0.38 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.23 3dg8 h ALA 533 Cb -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dg8 h ALA 533 CO -0.11 -0.69 -0.20 0.37 0.00 0.00 0.00 179.25 178.62 3dg8 h GLN 534 N -0.34 -0.40 0.00 0.00 4.15 -0.98 -0.05 115.11 117.49 3dg8 h GLN 534 Ca -0.03 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dg8 h GLN 534 Cb 0.27 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3dg8 h GLN 534 CO 0.04 -0.27 0.00 1.33 -1.93 0.00 0.00 178.83 178.01 3dg8 n VAL 535 N -5.33 1.25 0.03 2.39 0.24 -0.88 -1.18 118.33 114.86 3dg8 n VAL 535 Ca -0.08 0.31 0.05 0.00 -2.04 0.00 0.00 64.34 62.59 3dg8 n VAL 535 Cb 0.24 -1.21 0.10 0.00 -1.47 0.00 0.00 33.84 31.51 3dg8 n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dg8 n ASN 537 N 0.46 -2.45 -4.29 0.00 3.02 -0.32 -4.87 115.26 106.81 3dg8 n ASN 537 Ca 0.09 -0.58 -0.15 0.00 -0.03 0.00 0.00 54.58 53.91 3dg8 n ASN 537 Cb 0.35 -4.76 -0.10 0.00 -0.61 0.00 0.00 39.78 34.66 3dg8 n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dg8 s LEU 538 N -5.93 1.72 -0.10 3.41 1.43 -0.11 -5.01 118.68 114.09 3dg8 s LEU 538 Ca 0.04 -1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 51.78 3dg8 s LEU 538 Cb -0.01 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 3dg8 s LEU 538 CO 0.67 -0.70 0.05 -1.10 0.23 0.00 0.00 176.35 175.50 3dg8 s GLN 539 N -4.01 3.17 0.04 1.70 -1.52 -0.38 -4.08 119.66 114.58 3dg8 s GLN 539 Ca 0.34 -0.31 -0.31 0.00 -1.95 0.00 0.00 55.36 53.14 3dg8 s GLN 539 Cb 0.07 -2.94 -0.07 0.00 -0.22 0.00 0.00 33.01 29.85 3dg8 s GLN 539 CO 0.11 0.72 1.47 -2.14 -0.25 0.00 0.00 175.29 175.19 3dg8 s PRO 540 N -0.89 4.27 0.00 2.91 0.02 -1.26 -0.31 135.00 139.73 3dg8 s PRO 540 Ca 0.13 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3dg8 s PRO 540 Cb -0.12 -3.50 0.00 0.00 0.02 0.00 0.00 34.50 30.90 3dg8 s PRO 540 CO 0.03 -0.59 0.00 0.00 -0.33 0.00 0.00 177.00 176.11 3dg8 n ALA 541 N 5.11 0.00 -2.86 -1.55 0.00 0.12 -3.31 120.51 118.02 3dg8 n ALA 541 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 3dg8 n ALA 541 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3dg8 n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dg8 s GLN 542 N 1.77 3.48 -0.17 0.00 -0.21 -1.25 -0.53 119.66 122.75 3dg8 s GLN 542 Ca 0.00 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.96 3dg8 s GLN 542 Cb 0.00 -2.94 0.02 0.00 1.00 0.00 0.00 33.01 31.10 3dg8 s GLN 542 CO 0.00 0.50 -0.17 0.12 -2.12 0.00 0.00 175.29 173.63 3dg8 s PHE 543 N -1.71 2.49 -0.18 0.91 5.36 -0.46 -0.45 117.98 123.94 3dg8 s PHE 543 Ca 0.36 -1.46 -0.03 0.00 -0.96 0.00 0.00 56.93 54.84 3dg8 s PHE 543 Cb -0.12 -1.76 -0.02 0.00 -0.34 0.00 0.00 43.02 40.79 3dg8 s PHE 543 CO 0.28 -0.74 -0.06 0.42 -1.46 0.00 0.00 175.22 173.66 3dg8 s ILE 544 N 1.38 3.48 -0.31 3.12 1.01 0.41 -1.60 121.20 128.69 3dg8 s ILE 544 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3dg8 s ILE 544 Cb -0.13 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.82 3dg8 s ILE 544 CO -0.12 0.46 0.06 -2.28 0.00 0.00 0.00 174.94 173.07 3dg8 s HIS 545 N 0.92 3.19 -0.21 3.97 2.46 0.30 0.14 115.29 126.06 3dg8 s HIS 545 Ca -0.01 -1.32 -0.09 0.00 0.47 0.00 0.00 55.06 54.12 3dg8 s HIS 545 Cb -0.15 -2.22 -0.04 0.00 -0.13 0.00 0.00 32.58 30.04 3dg8 s HIS 545 CO 0.01 -0.68 0.10 0.08 -2.47 0.00 0.00 174.74 171.78 3dg8 s VAL 546 N 1.41 5.04 -0.17 0.89 1.01 -0.02 -0.62 120.40 127.94 3dg8 s VAL 546 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 3dg8 s VAL 546 Cb -0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3dg8 s VAL 546 CO 0.01 0.42 -0.01 -0.76 0.00 0.00 0.00 175.10 174.76 3dg8 s LEU 547 N 0.65 3.38 0.00 3.92 1.43 0.59 -0.73 118.68 127.93 3dg8 s LEU 547 Ca 0.06 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3dg8 s LEU 547 Cb -0.13 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3dg8 s LEU 547 CO 0.01 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3dg8 n GLY 548 N 3.63 1.15 3.51 -3.19 0.00 0.13 -1.78 105.19 108.63 3dg8 n GLY 548 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3dg8 n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dg8 s ASN 549 N -1.00 6.29 -0.22 1.61 3.84 -0.38 -1.02 114.94 124.06 3dg8 s ASN 549 Ca 0.00 -0.51 -0.11 0.00 0.21 0.00 0.00 52.86 52.45 3dg8 s ASN 549 Cb 0.00 -2.44 -0.05 0.00 -0.55 0.00 0.00 41.25 38.21 3dg8 s ASN 549 CO 0.00 -1.30 0.18 0.00 -2.79 0.00 0.00 177.10 173.19 3dg8 s ALA 550 N 4.04 3.63 0.02 1.71 0.00 -0.64 -1.09 121.76 129.44 3dg8 s ALA 550 Ca 0.29 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 3dg8 s ALA 550 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3dg8 s ALA 550 CO 0.17 -0.06 0.06 -3.38 0.00 0.00 0.00 175.76 172.55 3dg8 s HIS 551 N 0.79 0.20 -0.10 0.00 -3.43 -0.59 -1.08 115.29 111.09 3dg8 s HIS 551 Ca 0.09 -0.46 0.03 0.00 -0.80 0.00 0.00 55.06 53.92 3dg8 s HIS 551 Cb -0.13 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.86 3dg8 s HIS 551 CO 0.02 -0.29 -0.21 0.08 -2.00 0.00 0.00 174.74 172.34 3dg8 s VAL 552 N -2.04 2.33 0.17 -5.38 1.01 0.60 -1.86 120.40 115.24 3dg8 s VAL 552 Ca -0.10 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 3dg8 s VAL 552 Cb -0.05 -1.91 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 3dg8 s VAL 552 CO -0.02 0.55 1.07 -0.31 0.00 0.00 0.00 175.10 176.39 3dg8 s TYR 553 N 0.24 3.65 0.51 5.22 2.02 -1.26 -0.48 117.35 127.24 3dg8 s TYR 553 Ca -0.14 1.65 0.25 0.00 -0.37 0.00 0.00 57.07 58.46 3dg8 s TYR 553 Cb -0.17 -3.22 1.35 0.00 -0.40 0.00 0.00 41.96 39.52 3dg8 s TYR 553 CO 0.07 -0.42 1.95 -0.91 -1.57 0.00 0.00 175.55 174.67 3dg8 h ASN 554 N 5.16 0.08 0.33 2.29 2.35 -1.64 0.23 115.58 124.39 3dg8 h ASN 554 Ca -0.44 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.27 3dg8 h ASN 554 Cb 1.21 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 3dg8 h ASN 554 CO 0.72 0.04 -0.22 0.78 -1.65 0.00 0.00 177.43 177.10 3dg8 h ASN 555 N 0.08 0.00 0.68 5.81 -0.26 -1.91 -2.92 115.58 117.07 3dg8 h ASN 555 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 3dg8 h ASN 555 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 3dg8 h ASN 555 CO -0.03 0.22 -0.42 1.41 -1.06 0.00 0.00 177.43 177.56 3dg8 n HIS 556 N -3.99 0.12 -0.16 1.19 8.25 0.07 -4.49 115.22 116.20 3dg8 n HIS 556 Ca -0.02 0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 3dg8 n HIS 556 Cb 0.30 -0.38 0.04 0.00 1.12 0.00 0.00 29.99 31.07 3dg8 n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3dg8 h ILE 557 N 0.00 0.51 -0.58 1.59 2.04 -1.48 0.72 117.51 120.30 3dg8 h ILE 557 Ca 0.00 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3dg8 h ILE 557 Cb 0.55 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3dg8 h ILE 557 CO 0.00 0.00 0.34 0.44 0.00 0.00 0.00 178.15 178.93 3dg8 h ASP 558 N 0.02 0.52 -0.34 1.72 3.32 -1.82 -1.63 116.42 118.22 3dg8 h ASP 558 Ca 0.25 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 3dg8 h ASP 558 Cb 0.38 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3dg8 h ASP 558 CO -0.50 0.36 -0.29 0.28 -1.72 0.00 0.00 179.24 177.37 3dg8 h SER 559 N 0.65 0.89 -0.20 6.45 0.02 -1.68 -2.77 113.55 116.90 3dg8 h SER 559 Ca 0.25 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 3dg8 h SER 559 Cb 0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3dg8 h SER 559 CO -0.13 1.11 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.54 3dg8 h LEU 560 N 0.73 0.51 -0.57 5.07 3.38 -0.56 -1.71 115.31 122.15 3dg8 h LEU 560 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dg8 h LEU 560 Cb 0.84 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3dg8 h LEU 560 CO 0.07 0.62 0.30 0.11 0.09 0.00 0.00 178.44 179.64 3dg8 h LYS 561 N 0.51 0.81 -0.29 1.13 1.57 -1.12 -0.58 116.57 118.59 3dg8 h LYS 561 Ca 0.10 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3dg8 h LYS 561 Cb 0.42 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3dg8 h LYS 561 CO 0.02 0.63 0.18 0.82 -0.57 0.00 0.00 179.45 180.53 3dg8 h ILE 562 N 0.78 1.05 0.13 1.86 2.04 -1.16 -3.08 117.51 119.12 3dg8 h ILE 562 Ca 0.20 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3dg8 h ILE 562 Cb 0.07 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3dg8 h ILE 562 CO -0.03 0.07 -0.06 -0.61 0.00 0.00 0.00 178.15 177.51 3dg8 h GLN 563 N 0.37 -0.17 0.00 2.37 4.15 -0.91 -2.55 115.11 118.36 3dg8 h GLN 563 Ca 0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3dg8 h GLN 563 Cb -0.01 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3dg8 h GLN 563 CO -0.04 -0.09 0.21 -0.07 -1.93 0.00 0.00 178.83 176.90 3dg8 h LEU 564 N -0.21 0.00 -2.20 -2.39 4.07 -1.03 0.24 115.31 113.79 3dg8 h LEU 564 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3dg8 h LEU 564 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3dg8 h LEU 564 CO 0.03 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.98 3dg8 n ASN 565 N -2.30 3.26 -4.85 -0.43 3.02 -0.96 -4.20 115.26 108.78 3dg8 n ASN 565 Ca -0.01 -1.96 -0.37 0.00 -0.03 0.00 0.00 54.58 52.21 3dg8 n ASN 565 Cb 0.24 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 3dg8 n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dg8 s ARG 566 N -1.42 3.60 -0.12 3.52 0.52 0.84 -4.74 118.95 121.14 3dg8 s ARG 566 Ca 0.40 -0.08 -0.22 0.00 -0.52 0.00 0.00 55.73 55.31 3dg8 s ARG 566 Cb 0.22 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 3dg8 s ARG 566 CO 0.31 0.70 0.65 0.42 0.02 0.00 0.00 175.30 177.39 3dg8 s ILE 567 N -0.84 5.06 0.70 1.52 1.01 -1.26 -4.96 121.20 122.42 3dg8 s ILE 567 Ca 0.15 1.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.93 3dg8 s ILE 567 Cb -0.12 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3dg8 s ILE 567 CO 0.04 0.21 1.22 -2.65 0.00 0.00 0.00 174.94 173.77 3dg8 n PRO 568 N 4.23 0.76 -4.13 2.79 -0.02 -1.26 -4.89 135.00 132.48 3dg8 n PRO 568 Ca -0.02 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 3dg8 n PRO 568 Cb 0.51 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3dg8 n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dg8 s TYR 569 N -1.65 3.07 0.41 6.00 2.02 -1.26 -5.06 117.35 120.86 3dg8 s TYR 569 Ca 0.79 -0.12 -0.27 0.00 -0.37 0.00 0.00 57.07 57.10 3dg8 s TYR 569 Cb -0.35 -1.38 -0.10 0.00 -0.40 0.00 0.00 41.96 39.73 3dg8 s TYR 569 CO 0.45 0.53 1.46 -0.35 -1.57 0.00 0.00 175.55 176.06 3dg8 n PRO 570 N -1.12 2.48 -1.20 -1.71 -0.04 -1.26 -4.85 135.00 127.29 3dg8 n PRO 570 Ca -0.08 0.87 -0.33 0.00 -0.04 0.00 0.00 63.50 63.93 3dg8 n PRO 570 Cb 0.58 -2.64 0.11 0.00 -0.04 0.00 0.00 33.50 31.51 3dg8 n PRO 570 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dg8 s PHE 571 N -1.15 2.03 0.09 0.54 0.08 -1.26 -4.62 117.98 113.69 3dg8 s PHE 571 Ca 0.56 1.65 -0.01 0.00 0.12 0.00 0.00 56.93 59.26 3dg8 s PHE 571 Cb -0.47 -3.34 0.02 0.00 -0.57 0.00 0.00 43.02 38.66 3dg8 s PHE 571 CO 0.61 -2.48 0.13 -0.35 -0.10 0.00 0.00 175.22 173.03 3dg8 n PRO 572 N -3.30 0.23 -4.40 0.24 -0.04 -1.25 -4.81 135.00 121.66 3dg8 n PRO 572 Ca 0.12 -0.27 -0.23 0.00 -0.04 0.00 0.00 63.50 63.08 3dg8 n PRO 572 Cb 0.51 -0.11 -0.11 0.00 -0.04 0.00 0.00 33.50 33.76 3dg8 n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dg8 s THR 573 N -0.66 2.16 -0.11 0.52 -4.23 -0.40 -1.69 115.64 111.22 3dg8 s THR 573 Ca 0.08 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 3dg8 s THR 573 Cb -0.00 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.73 3dg8 s THR 573 CO 0.05 -0.35 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.35 3dg8 s LEU 574 N -3.09 2.24 -0.09 4.79 2.96 -1.26 -1.13 118.68 123.10 3dg8 s LEU 574 Ca 0.23 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3dg8 s LEU 574 Cb -0.05 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.19 3dg8 s LEU 574 CO 0.10 0.16 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.54 3dg8 s LYS 575 N 0.34 2.67 -0.09 1.98 -0.14 -0.28 -5.00 119.74 119.22 3dg8 s LYS 575 Ca -0.17 -0.77 -0.01 0.00 -1.36 0.00 0.00 55.97 53.66 3dg8 s LYS 575 Cb -0.17 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.88 3dg8 s LYS 575 CO 0.08 0.16 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.30 3dg8 s LEU 576 N 0.37 3.42 -0.20 3.17 1.43 -1.26 -1.46 118.68 124.15 3dg8 s LEU 576 Ca -0.17 0.05 -0.33 0.00 -1.03 0.00 0.00 54.13 52.66 3dg8 s LEU 576 Cb -0.17 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 3dg8 s LEU 576 CO 0.07 0.34 2.05 -3.20 0.23 0.00 0.00 176.35 175.84 3dg8 n ASN 577 N 2.41 3.01 0.05 2.29 5.15 -0.10 -4.78 115.26 123.30 3dg8 n ASN 577 Ca -0.18 0.64 0.06 0.00 -0.60 0.00 0.00 54.58 54.50 3dg8 n ASN 577 Cb 0.53 -1.38 0.27 0.00 -0.53 0.00 0.00 39.78 38.68 3dg8 n ASN 577 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dg8 n PRO 578 N 7.56 0.06 0.23 1.20 -0.04 -1.26 -2.82 135.00 139.93 3dg8 n PRO 578 Ca 0.30 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.34 3dg8 n PRO 578 Cb 0.31 -1.65 0.26 0.00 -0.04 0.00 0.00 33.50 32.37 3dg8 n PRO 578 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3dg8 h ASP 579 N 0.00 0.00 -2.78 3.54 3.32 -2.01 -3.44 116.42 115.05 3dg8 h ASP 579 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3dg8 h ASP 579 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3dg8 h ASP 579 CO 0.00 0.02 0.94 -0.63 -1.72 0.00 0.00 179.24 177.86 3dg8 s ILE 580 N -3.29 3.62 -0.10 0.35 -1.09 -1.13 -4.89 121.20 114.68 3dg8 s ILE 580 Ca 0.06 0.93 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 3dg8 s ILE 580 Cb 0.06 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 3dg8 s ILE 580 CO 0.65 -0.03 0.09 0.29 -1.23 0.00 0.00 174.94 174.71 3dg8 n LYS 581 N 6.07 6.08 -5.19 2.79 4.76 -1.26 -4.64 118.16 126.77 3dg8 n LYS 581 Ca 0.15 -0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.28 3dg8 n LYS 581 Cb 0.43 -0.62 -0.16 0.00 -1.84 0.00 0.00 35.03 32.84 3dg8 n LYS 581 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dg8 s ASN 582 N -1.24 2.92 0.54 4.39 0.01 -1.26 -4.63 114.94 115.68 3dg8 s ASN 582 Ca 0.01 -0.49 0.34 0.00 -0.71 0.00 0.00 52.86 52.00 3dg8 s ASN 582 Cb 0.02 -0.86 1.51 0.00 0.41 0.00 0.00 41.25 42.32 3dg8 s ASN 582 CO 0.09 0.22 1.85 -0.29 -1.51 0.00 0.00 177.10 177.45 3dg8 h ILE 583 N 5.16 0.47 0.00 0.60 6.09 -1.92 -0.23 117.51 127.68 3dg8 h ILE 583 Ca -0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3dg8 h ILE 583 Cb 1.18 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.96 3dg8 h ILE 583 CO 0.47 0.00 -0.24 -0.62 -3.07 0.00 0.00 178.15 174.69 3dg8 n GLU 584 N -4.17 0.17 -0.04 2.19 1.02 -1.26 -4.12 120.64 114.43 3dg8 n GLU 584 Ca 0.21 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 3dg8 n GLU 584 Cb 1.07 -1.66 0.51 0.00 -0.02 0.00 0.00 31.44 31.34 3dg8 n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dg8 n ASP 585 N -1.93 1.01 -4.79 1.62 8.00 -0.10 -4.93 116.55 115.43 3dg8 n ASP 585 Ca 0.05 -1.52 -0.36 0.00 0.71 0.00 0.00 54.79 53.67 3dg8 n ASP 585 Cb 0.40 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 3dg8 n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dg8 s PHE 586 N -1.90 3.34 0.08 1.24 0.08 -1.26 -5.00 117.98 114.55 3dg8 s PHE 586 Ca 0.34 1.66 0.01 0.00 0.12 0.00 0.00 56.93 59.06 3dg8 s PHE 586 Cb 0.17 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 3dg8 s PHE 586 CO 0.27 -0.37 -0.06 0.95 -0.10 0.00 0.00 175.22 175.92 3dg8 s THR 587 N -1.78 0.53 0.34 0.64 -4.23 -1.26 -5.04 115.64 104.84 3dg8 s THR 587 Ca 0.58 -1.80 0.14 0.00 -1.18 0.00 0.00 61.69 59.43 3dg8 s THR 587 Cb -0.18 -1.51 0.33 0.00 1.34 0.00 0.00 72.50 72.49 3dg8 s THR 587 CO 0.23 -0.86 1.64 -0.29 -0.54 0.00 0.00 174.62 174.81 3dg8 h ILE 588 N 3.19 0.23 0.00 2.99 6.09 -1.97 0.39 117.51 128.43 3dg8 h ILE 588 Ca -0.35 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3dg8 h ILE 588 Cb 1.16 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.42 3dg8 h ILE 588 CO 0.62 0.04 0.00 -1.54 -3.07 0.00 0.00 178.15 174.21 3dg8 n SER 589 N -5.13 0.00 -0.20 2.19 3.41 -1.26 -2.89 113.62 109.74 3dg8 n SER 589 Ca 0.32 -1.18 0.13 0.00 -0.26 0.00 0.00 58.87 57.88 3dg8 n SER 589 Cb 1.01 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.43 3dg8 n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dg8 n ASP 590 N -0.84 0.83 -4.41 4.04 8.00 0.14 -4.84 116.55 119.47 3dg8 n ASP 590 Ca 0.15 -0.79 -0.33 0.00 0.71 0.00 0.00 54.79 54.53 3dg8 n ASP 590 Cb 0.07 0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 41.08 3dg8 n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dg8 s PHE 591 N -2.48 2.75 -0.05 1.24 0.40 -1.14 -0.92 117.98 117.78 3dg8 s PHE 591 Ca 0.26 -0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 56.13 3dg8 s PHE 591 Cb 0.20 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 42.01 3dg8 s PHE 591 CO 0.50 -0.05 0.02 0.99 0.70 0.00 0.00 175.22 177.38 3dg8 s THR 592 N -0.12 0.14 -0.37 0.64 2.01 -0.54 -5.01 115.64 112.40 3dg8 s THR 592 Ca -0.02 0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 3dg8 s THR 592 Cb -0.14 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.05 3dg8 s THR 592 CO 0.04 0.20 0.35 -0.63 -0.69 0.00 0.00 174.62 173.89 3dg8 s ILE 593 N 1.83 5.18 -0.08 1.82 -1.09 -1.26 -1.12 121.20 126.49 3dg8 s ILE 593 Ca 0.02 -0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.21 3dg8 s ILE 593 Cb -0.12 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 3dg8 s ILE 593 CO -0.04 -0.20 0.02 -1.10 -1.23 0.00 0.00 174.94 172.40 3dg8 s GLN 594 N 1.94 3.02 -1.22 2.79 -0.21 -0.29 -4.64 119.66 121.05 3dg8 s GLN 594 Ca 0.10 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.01 3dg8 s GLN 594 Cb -0.17 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.02 3dg8 s GLN 594 CO 0.12 0.70 1.06 0.09 -2.12 0.00 0.00 175.29 175.13 3dg8 n ASN 595 N 2.00 -5.35 -4.57 5.90 3.02 -1.26 -1.28 115.26 113.72 3dg8 n ASN 595 Ca -0.18 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.44 3dg8 n ASN 595 Cb 0.54 -4.65 -0.03 0.00 -0.61 0.00 0.00 39.78 35.03 3dg8 n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dg8 s TYR 596 N -3.30 2.56 -0.13 3.10 5.04 -1.26 -4.26 117.35 119.10 3dg8 s TYR 596 Ca 0.45 0.29 -0.05 0.00 -2.44 0.00 0.00 57.07 55.31 3dg8 s TYR 596 Cb -0.20 -4.51 -0.04 0.00 0.35 0.00 0.00 41.96 37.57 3dg8 s TYR 596 CO 0.67 -1.67 0.05 0.08 -1.34 0.00 0.00 175.55 173.34 3dg8 s VAL 597 N 5.03 4.71 0.19 3.14 1.01 -1.26 -5.06 120.40 128.16 3dg8 s VAL 597 Ca 0.40 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 3dg8 s VAL 597 Cb -0.08 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.28 3dg8 s VAL 597 CO 0.23 0.55 0.55 -1.38 0.00 0.00 0.00 175.10 175.05 3dg8 s HIS 598 N -0.38 -0.26 0.90 5.22 -3.43 -1.26 -4.76 115.29 111.32 3dg8 s HIS 598 Ca 0.09 -0.06 -0.13 0.00 -0.80 0.00 0.00 55.06 54.16 3dg8 s HIS 598 Cb -0.12 0.46 0.13 0.00 -1.43 0.00 0.00 32.58 31.62 3dg8 s HIS 598 CO 0.02 -0.91 1.18 -1.01 -2.00 0.00 0.00 174.74 172.02 3dg8 s HIS 599 N -3.84 2.42 0.64 0.38 3.76 0.69 -4.95 115.29 114.39 3dg8 s HIS 599 Ca 0.06 0.71 -0.18 0.00 -0.15 0.00 0.00 55.06 55.50 3dg8 s HIS 599 Cb -0.01 -3.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.11 3dg8 s HIS 599 CO -0.06 -2.28 1.19 -1.91 -0.85 0.00 0.00 174.74 170.83 3dg8 n GLU 600 N -3.66 1.02 -1.78 1.40 2.13 -1.26 -3.17 120.64 115.33 3dg8 n GLU 600 Ca 0.09 0.40 -0.37 0.00 0.66 0.00 0.00 57.16 57.94 3dg8 n GLU 600 Cb 0.60 -2.42 0.06 0.00 0.27 0.00 0.00 31.44 29.95 3dg8 n GLU 600 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3dg8 s LYS 601 N -3.19 2.72 -0.02 5.31 2.20 -1.26 -3.67 119.74 121.83 3dg8 s LYS 601 Ca 0.81 2.08 0.02 0.00 -0.36 0.00 0.00 55.97 58.52 3dg8 s LYS 601 Cb -0.39 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 3dg8 s LYS 601 CO 0.42 -1.47 -0.09 0.42 -0.36 0.00 0.00 175.35 174.28 3dg8 s ILE 602 N -1.39 0.74 -0.45 5.43 1.01 -1.26 -4.86 121.20 120.41 3dg8 s ILE 602 Ca 0.80 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 3dg8 s ILE 602 Cb -0.37 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.47 3dg8 s ILE 602 CO 0.41 0.23 0.53 -0.44 0.00 0.00 0.00 174.94 175.67 3dg8 s SER 603 N 0.14 6.23 0.34 3.58 0.01 -1.26 -4.91 113.70 117.82 3dg8 s SER 603 Ca -0.02 -0.71 0.22 0.00 1.31 0.00 0.00 55.95 56.75 3dg8 s SER 603 Cb -0.08 -2.26 1.18 0.00 0.21 0.00 0.00 66.02 65.07 3dg8 s SER 603 CO 0.00 -0.72 1.65 0.24 0.41 0.00 0.00 173.24 174.83 3dg8 h MET 604 N 8.84 0.00 0.01 12.44 0.00 -1.94 -3.00 114.93 131.28 3dg8 h MET 604 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 59.70 59.06 3dg8 h MET 604 Cb 1.10 0.00 -0.05 0.00 0.00 0.00 0.00 31.60 32.65 3dg8 h MET 604 CO 0.87 0.00 -2.06 -3.47 0.00 0.00 0.00 176.91 172.25 3dg8 n ASP 605 N -2.27 1.94 -1.30 1.22 -0.08 -1.26 -3.58 116.55 111.21 3dg8 n ASP 605 Ca -0.01 0.32 -0.17 0.00 -1.51 0.00 0.00 54.79 53.42 3dg8 n ASP 605 Cb 0.07 -0.84 -0.07 0.00 2.34 0.00 0.00 41.12 42.61 3dg8 n ASP 605 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3dg8 n MET 606 N -4.19 -1.33 -3.45 -0.67 2.81 -1.14 -4.89 117.12 104.26 3dg8 n MET 606 Ca -0.45 1.09 -0.38 0.00 -1.81 0.00 0.00 57.70 56.16 3dg8 n MET 606 Cb 0.83 -5.38 -0.06 0.00 -0.71 0.00 0.00 33.22 27.90 3dg8 n MET 606 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dg8 s ALA 607 N -2.56 3.62 0.00 3.04 0.00 -1.26 -5.17 121.76 119.43 3dg8 s ALA 607 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3dg8 s ALA 607 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 3dg8 s ALA 607 CO 0.00 0.31 0.14 0.00 0.00 0.00 0.00 175.76 176.21