#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa5 h VAL 278 N 0.00 0.41 -2.54 2.46 -1.51 -1.91 -3.38 116.25 109.77 2pa5 h VAL 278 Ca 0.00 -0.61 -0.73 0.00 -1.23 0.00 0.00 66.70 64.13 2pa5 h VAL 278 Cb 0.00 1.43 -0.19 0.00 -2.13 0.00 0.00 31.29 30.40 2pa5 h VAL 278 CO 0.00 0.11 0.94 -1.00 -1.23 0.00 0.00 177.57 176.39 2pa5 s HIS 279 N -3.98 3.43 0.18 5.19 0.09 -1.26 -4.98 115.29 113.96 2pa5 s HIS 279 Ca -0.02 -1.85 0.08 0.00 -0.00 0.00 0.00 55.06 53.27 2pa5 s HIS 279 Cb 0.12 -4.21 -0.04 0.00 -0.00 0.00 0.00 32.58 28.44 2pa5 s HIS 279 CO 0.57 -1.36 -0.03 0.14 -0.00 0.00 0.00 174.74 174.06 2pa5 s VAL 280 N 1.68 3.56 -0.03 -0.90 -7.23 -1.26 -0.46 120.40 115.75 2pa5 s VAL 280 Ca 0.35 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.70 2pa5 s VAL 280 Cb -0.05 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 2pa5 s VAL 280 CO -0.06 -0.13 1.39 -2.16 -0.31 0.00 0.00 175.10 173.84 2pa5 s PRO 281 N -2.95 4.27 1.30 4.82 0.04 -1.26 -4.77 135.00 136.45 2pa5 s PRO 281 Ca 0.27 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2pa5 s PRO 281 Cb -0.09 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2pa5 s PRO 281 CO 0.18 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2pa5 n GLY 282 N 3.67 -1.76 3.72 0.56 0.00 -1.26 -4.92 105.19 105.20 2pa5 n GLY 282 Ca 0.13 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 2pa5 n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pa5 s PRO 283 N 0.00 2.18 -0.21 1.61 0.02 -1.26 -4.92 135.00 132.42 2pa5 s PRO 283 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2pa5 s PRO 283 Cb 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.71 2pa5 s PRO 283 CO 0.00 -1.85 0.00 0.72 -0.33 0.00 0.00 177.00 175.54 2pa5 n HIS 284 N -2.45 -0.12 -1.43 6.54 8.25 -1.26 -5.05 115.22 119.71 2pa5 n HIS 284 Ca 0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.29 2pa5 n HIS 284 Cb 0.49 -1.34 0.08 0.00 1.12 0.00 0.00 29.99 30.33 2pa5 n HIS 284 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pa5 s ALA 285 N -2.12 2.30 -0.03 -1.41 0.00 -1.26 -4.91 121.76 114.32 2pa5 s ALA 285 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.43 2pa5 s ALA 285 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2pa5 s ALA 285 CO 0.00 -1.63 -0.24 -1.64 0.00 0.00 0.00 175.76 172.26 2pa5 s MET 286 N -4.57 2.12 0.94 0.00 -1.94 0.64 -4.84 119.30 111.66 2pa5 s MET 286 Ca 0.64 -0.84 -0.12 0.00 -1.71 0.00 0.00 55.69 53.65 2pa5 s MET 286 Cb -0.19 -1.93 0.16 0.00 2.01 0.00 0.00 34.83 34.87 2pa5 s MET 286 CO 0.50 0.44 1.10 0.95 -0.01 0.00 0.00 175.02 178.01 2pa5 s THR 287 N -0.36 2.25 0.24 2.05 -4.23 -1.26 -1.22 115.64 113.11 2pa5 s THR 287 Ca 0.03 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 2pa5 s THR 287 Cb -0.11 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.30 2pa5 s THR 287 CO 0.01 -0.11 1.89 0.40 -0.54 0.00 0.00 174.62 176.28 2pa5 h ILE 288 N -1.67 1.18 -0.47 2.99 1.08 -1.97 0.11 117.51 118.75 2pa5 h ILE 288 Ca -0.52 -0.40 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 2pa5 h ILE 288 Cb 1.32 -0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2pa5 h ILE 288 CO 0.58 0.21 0.20 -0.61 -0.69 0.00 0.00 178.15 177.84 2pa5 h GLN 289 N 1.16 0.38 -0.47 2.37 5.75 -1.93 -0.25 115.11 122.13 2pa5 h GLN 289 Ca 0.35 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.73 2pa5 h GLN 289 Cb -0.05 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2pa5 h GLN 289 CO -0.10 0.25 -0.09 0.93 -2.65 0.00 0.00 178.83 177.18 2pa5 h GLU 290 N 0.40 0.85 -0.53 1.69 5.08 -1.77 -2.53 114.58 117.76 2pa5 h GLU 290 Ca 0.22 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2pa5 h GLU 290 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2pa5 h GLU 290 CO -0.19 0.90 -0.08 1.25 -1.00 0.00 0.00 179.01 179.89 2pa5 h LEU 291 N 0.77 0.98 0.02 1.33 5.85 -0.37 -0.01 115.31 123.88 2pa5 h LEU 291 Ca 0.13 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2pa5 h LEU 291 Cb 0.59 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2pa5 h LEU 291 CO 0.04 1.09 -0.14 0.58 -0.34 0.00 0.00 178.44 179.67 2pa5 h VAL 292 N 0.86 0.67 -0.95 1.05 2.07 -0.89 -1.29 116.25 117.77 2pa5 h VAL 292 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 2pa5 h VAL 292 Cb 0.63 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2pa5 h VAL 292 CO 0.04 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.68 2pa5 h ASP 293 N -0.24 0.98 -0.05 0.57 3.32 -1.27 -0.75 116.42 118.98 2pa5 h ASP 293 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2pa5 h ASP 293 Cb 0.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2pa5 h ASP 293 CO -0.12 0.64 0.03 0.22 -1.72 0.00 0.00 179.24 178.29 2pa5 h TYR 294 N 1.13 0.07 -0.09 4.55 3.20 -0.62 -0.07 116.97 125.13 2pa5 h TYR 294 Ca 0.40 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 62.06 2pa5 h TYR 294 Cb 0.12 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2pa5 h TYR 294 CO -0.01 0.09 -0.80 0.28 -1.64 0.00 0.00 178.16 176.08 2pa5 h VAL 295 N 0.03 1.34 -0.37 1.81 2.07 -1.09 -2.50 116.25 117.54 2pa5 h VAL 295 Ca 0.02 -2.14 0.01 0.00 0.82 0.00 0.00 66.70 65.41 2pa5 h VAL 295 Cb 0.04 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2pa5 h VAL 295 CO -0.00 0.65 0.24 0.78 0.02 0.00 0.00 177.57 179.26 2pa5 h ASN 296 N 0.36 0.40 -0.67 0.57 2.35 -1.07 0.32 115.58 117.84 2pa5 h ASN 296 Ca -0.05 -0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.78 2pa5 h ASN 296 Cb 1.40 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.61 2pa5 h ASN 296 CO 0.15 0.29 0.31 0.00 -1.65 0.00 0.00 177.43 176.52 2pa5 h ALA 297 N 1.15 0.90 0.01 -0.83 0.00 -0.94 -3.23 119.26 116.32 2pa5 h ALA 297 Ca 0.14 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.80 2pa5 h ALA 297 Cb -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2pa5 h ALA 297 CO -0.04 -0.10 -1.89 0.54 0.00 0.00 0.00 179.25 177.76 2pa5 n ARG 298 N -4.91 0.66 -1.16 0.00 1.74 -0.95 -5.02 116.66 107.02 2pa5 n ARG 298 Ca 0.10 0.23 0.16 0.00 -0.77 0.00 0.00 57.85 57.57 2pa5 n ARG 298 Cb 0.27 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 2pa5 n ARG 298 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pa5 n GLN 299 N -3.05 -2.34 -0.16 5.56 -0.00 0.11 -1.68 117.38 115.83 2pa5 n GLN 299 Ca -0.22 1.55 -0.05 0.00 -0.00 0.00 0.00 57.00 58.28 2pa5 n GLN 299 Cb 1.07 -2.85 0.04 0.00 -0.00 0.00 0.00 30.24 28.50 2pa5 n GLN 299 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2pa5 h LYS 300 N -1.07 0.46 -0.50 2.61 3.64 -1.95 -1.15 116.57 118.61 2pa5 h LYS 300 Ca 0.02 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2pa5 h LYS 300 Cb 1.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2pa5 h LYS 300 CO 0.01 0.31 -0.10 0.37 -2.27 0.00 0.00 179.45 177.77 2pa5 h GLN 301 N 0.48 0.92 -0.61 1.90 5.75 -1.99 0.04 115.11 121.60 2pa5 h GLN 301 Ca 0.21 -0.32 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 2pa5 h GLN 301 Cb 0.12 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2pa5 h GLN 301 CO -0.15 0.97 0.09 0.78 -2.65 0.00 0.00 178.83 177.87 2pa5 h GLY 302 N 0.97 1.07 1.30 2.39 0.00 -0.87 -0.05 103.07 107.87 2pa5 h GLY 302 Ca 0.13 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 2pa5 h GLY 302 CO 0.04 0.64 -0.32 -2.22 0.00 0.00 0.00 176.54 174.69 2pa5 h ILE 303 N 0.93 1.28 -0.91 2.60 1.08 -0.94 -0.87 117.51 120.68 2pa5 h ILE 303 Ca 0.19 -1.47 0.03 0.00 -0.39 0.00 0.00 64.86 63.22 2pa5 h ILE 303 Cb 0.42 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2pa5 h ILE 303 CO 0.01 0.48 0.59 1.88 -0.69 0.00 0.00 178.15 180.43 2pa5 h TYR 304 N 0.66 1.11 -0.37 1.37 -1.99 -0.64 -1.97 116.97 115.14 2pa5 h TYR 304 Ca 0.07 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 2pa5 h TYR 304 Cb 0.85 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 2pa5 h TYR 304 CO 0.05 0.64 -0.13 0.93 -0.00 0.00 0.00 178.16 179.65 2pa5 h GLU 305 N 1.15 0.66 -0.65 4.88 5.08 -0.68 -1.78 114.58 123.23 2pa5 h GLU 305 Ca 0.36 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2pa5 h GLU 305 Cb 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2pa5 h GLU 305 CO -0.12 0.77 0.34 1.49 -1.00 0.00 0.00 179.01 180.49 2pa5 h GLU 306 N 0.60 0.92 -0.77 2.33 4.81 -0.67 -1.53 114.58 120.27 2pa5 h GLU 306 Ca 0.10 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2pa5 h GLU 306 Cb 0.57 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2pa5 h GLU 306 CO 0.04 0.71 0.51 -0.92 -0.73 0.00 0.00 179.01 178.61 2pa5 h TYR 307 N 0.89 0.97 -0.34 0.92 3.20 -1.04 -2.07 116.97 119.51 2pa5 h TYR 307 Ca 0.23 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 2pa5 h TYR 307 Cb 0.07 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2pa5 h TYR 307 CO -0.00 0.62 0.01 0.93 -1.64 0.00 0.00 178.16 178.07 2pa5 h GLU 308 N 1.05 0.52 -0.69 1.82 4.39 -0.86 0.51 114.58 121.32 2pa5 h GLU 308 Ca 0.28 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 2pa5 h GLU 308 Cb -0.12 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 2pa5 h GLU 308 CO -0.06 0.54 0.22 -0.44 -1.16 0.00 0.00 179.01 178.11 2pa5 h ASP 309 N 0.50 1.00 -0.03 1.42 3.32 -0.77 -0.60 116.42 121.27 2pa5 h ASP 309 Ca 0.11 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2pa5 h ASP 309 Cb 0.32 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2pa5 h ASP 309 CO 0.01 0.94 0.01 0.40 -1.72 0.00 0.00 179.24 178.88 2pa5 h ILE 310 N 1.00 1.09 -0.03 0.35 2.04 -0.70 -3.14 117.51 118.13 2pa5 h ILE 310 Ca 0.22 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2pa5 h ILE 310 Cb 0.30 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2pa5 h ILE 310 CO -0.01 0.07 -0.06 -0.09 0.00 0.00 0.00 178.15 178.07 2pa5 h ARG 311 N -0.07 0.04 0.00 2.37 2.43 -0.69 -1.96 114.38 116.50 2pa5 h ARG 311 Ca 0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pa5 h ARG 311 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2pa5 h ARG 311 CO -0.00 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.56 2pa5 h ARG 312 N 0.04 0.00 -6.89 0.20 -0.00 -1.06 -3.45 114.38 103.22 2pa5 h ARG 312 Ca 0.01 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.97 2pa5 h ARG 312 Cb 0.13 0.00 0.06 0.00 0.00 0.00 0.00 29.97 30.16 2pa5 h ARG 312 CO 0.01 0.00 0.59 -1.21 0.00 0.00 0.00 179.97 179.36 2pa5 s GLU 313 N -3.44 4.30 0.36 0.04 0.41 -0.74 -5.00 118.70 114.64 2pa5 s GLU 313 Ca 0.04 2.09 -0.27 0.00 -0.41 0.00 0.00 54.97 56.42 2pa5 s GLU 313 Cb 0.08 -2.99 -0.09 0.00 -1.78 0.00 0.00 34.13 29.34 2pa5 s GLU 313 CO 0.57 -0.18 1.26 -0.80 -0.49 0.00 0.00 175.26 175.62 2pa5 s ASN 314 N -0.67 6.65 0.55 -0.19 0.01 -1.26 -4.97 114.94 115.05 2pa5 s ASN 314 Ca 0.50 2.59 -0.22 0.00 -0.71 0.00 0.00 52.86 55.02 2pa5 s ASN 314 Cb -0.37 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.60 2pa5 s ASN 314 CO 0.48 -0.61 1.34 -2.65 -1.51 0.00 0.00 177.10 174.16 2pa5 n PRO 315 N 0.53 1.65 -2.80 -0.60 -0.02 -1.26 -4.93 135.00 127.57 2pa5 n PRO 315 Ca 0.02 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 2pa5 n PRO 315 Cb 0.43 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 2pa5 n PRO 315 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pa5 s VAL 316 N -1.30 4.23 -2.05 -1.45 0.11 -1.26 -4.90 120.40 113.79 2pa5 s VAL 316 Ca 0.72 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 2pa5 s VAL 316 Cb -0.42 -4.70 0.00 0.00 -1.53 0.00 0.00 36.38 29.73 2pa5 s VAL 316 CO 0.49 -1.46 0.00 0.61 -3.33 0.00 0.00 175.10 171.40 2pa5 n GLY 317 N 5.30 0.53 3.35 6.54 0.00 -1.26 -4.86 105.19 114.79 2pa5 n GLY 317 Ca -0.02 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.68 2pa5 n GLY 317 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pa5 s THR 318 N -0.82 1.19 -0.12 2.61 -4.23 -1.26 -5.03 115.64 107.97 2pa5 s THR 318 Ca 0.00 -2.06 0.17 0.00 -1.18 0.00 0.00 61.69 58.63 2pa5 s THR 318 Cb 0.00 -2.33 0.42 0.00 1.34 0.00 0.00 72.50 71.94 2pa5 s THR 318 CO 0.00 -0.35 1.20 0.49 -0.54 0.00 0.00 174.62 175.42 2pa5 n PHE 319 N -0.44 0.01 -0.08 3.99 3.72 -1.26 -0.71 117.46 122.69 2pa5 n PHE 319 Ca -0.06 -1.08 -0.09 0.00 -0.05 0.00 0.00 57.45 56.18 2pa5 n PHE 319 Cb 0.63 -0.21 0.07 0.00 -0.94 0.00 0.00 39.48 39.04 2pa5 n PHE 319 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pa5 h HIS 320 N 1.01 0.88 -0.38 1.38 3.86 -1.98 -3.07 115.15 116.84 2pa5 h HIS 320 Ca -0.10 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 58.85 2pa5 h HIS 320 Cb 1.38 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 2pa5 h HIS 320 CO 0.51 0.96 0.08 0.00 0.86 0.00 0.00 177.93 180.34 2pa5 h SER 322 N 0.47 0.70 0.12 0.00 0.02 -1.78 -2.54 113.55 110.53 2pa5 h SER 322 Ca 0.12 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2pa5 h SER 322 Cb 0.33 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2pa5 h SER 322 CO 0.00 0.32 -0.31 0.23 -1.14 0.00 0.00 176.83 175.93 2pa5 n MET 323 N -4.61 1.07 -1.29 3.45 2.81 -1.07 -3.65 117.12 113.83 2pa5 n MET 323 Ca 0.19 -0.75 -0.30 0.00 -1.81 0.00 0.00 57.70 55.03 2pa5 n MET 323 Cb 0.51 -1.48 0.11 0.00 -0.71 0.00 0.00 33.22 31.65 2pa5 n MET 323 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2pa5 s SER 324 N -2.44 4.13 0.24 7.83 0.01 -0.95 -4.63 113.70 117.89 2pa5 s SER 324 Ca 0.23 1.61 -0.31 0.00 1.31 0.00 0.00 55.95 58.79 2pa5 s SER 324 Cb 0.19 -2.32 -0.12 0.00 0.21 0.00 0.00 66.02 63.98 2pa5 s SER 324 CO 0.52 -2.24 1.65 -2.65 0.41 0.00 0.00 173.24 170.92 2pa5 n PRO 325 N -3.64 2.68 0.00 12.44 -0.02 -1.26 -1.17 135.00 144.02 2pa5 n PRO 325 Ca 0.08 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2pa5 n PRO 325 Cb 0.54 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2pa5 n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa5 n GLY 326 N 3.06 2.99 0.08 -1.23 0.00 -1.26 -4.84 105.19 103.98 2pa5 n GLY 326 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 2pa5 n GLY 326 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pa5 n ASN 327 N 0.18 0.03 -0.26 1.61 3.02 -0.32 -4.46 115.26 115.05 2pa5 n ASN 327 Ca 0.00 0.01 0.05 0.00 -0.03 0.00 0.00 54.58 54.61 2pa5 n ASN 327 Cb 0.00 1.23 0.19 0.00 -0.61 0.00 0.00 39.78 40.58 2pa5 n ASN 327 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2pa5 h LEU 328 N 0.00 0.38 0.00 3.41 5.85 -1.55 0.18 115.31 123.57 2pa5 h LEU 328 Ca -0.40 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2pa5 h LEU 328 Cb 1.92 0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.00 2pa5 h LEU 328 CO 0.02 0.16 0.00 -1.84 -0.34 0.00 0.00 178.44 176.45 2pa5 n GLU 329 N -4.94 0.02 -0.03 1.25 0.00 -1.26 -2.03 120.64 113.65 2pa5 n GLU 329 Ca 0.14 0.21 0.13 0.00 0.00 0.00 0.00 57.16 57.64 2pa5 n GLU 329 Cb 0.39 -1.50 0.32 0.00 0.00 0.00 0.00 31.44 30.66 2pa5 n GLU 329 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2pa5 n LYS 330 N -1.48 1.99 -3.62 3.44 5.02 0.05 -4.86 118.16 118.70 2pa5 n LYS 330 Ca 0.04 -1.45 -0.37 0.00 -2.02 0.00 0.00 58.31 54.51 2pa5 n LYS 330 Cb 0.18 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2pa5 n LYS 330 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2pa5 s ASN 331 N -1.91 6.53 0.22 4.39 0.01 -0.86 -4.54 114.94 118.78 2pa5 s ASN 331 Ca 0.34 0.62 -0.01 0.00 -0.71 0.00 0.00 52.86 53.10 2pa5 s ASN 331 Cb 0.20 -2.17 0.20 0.00 0.41 0.00 0.00 41.25 39.89 2pa5 s ASN 331 CO 0.31 0.25 1.57 -0.09 -1.51 0.00 0.00 177.10 177.63 2pa5 h ARG 332 N 5.65 0.53 -4.48 -0.60 2.43 -1.89 -3.43 114.38 112.59 2pa5 h ARG 332 Ca -0.48 -0.29 -0.50 0.00 -0.81 0.00 0.00 59.98 57.90 2pa5 h ARG 332 Cb 1.20 0.02 -0.34 0.00 -0.42 0.00 0.00 29.97 30.43 2pa5 h ARG 332 CO 0.67 0.88 -0.81 0.71 -1.51 0.00 0.00 179.97 179.91 2pa5 s TYR 333 N -4.14 1.39 0.44 2.20 2.02 -1.26 -5.03 117.35 112.96 2pa5 s TYR 333 Ca -0.07 -0.51 0.23 0.00 -0.37 0.00 0.00 57.07 56.35 2pa5 s TYR 333 Cb 0.12 -1.03 1.32 0.00 -0.40 0.00 0.00 41.96 41.97 2pa5 s TYR 333 CO 0.82 -0.27 2.05 0.78 -1.57 0.00 0.00 175.55 177.36 2pa5 h GLY 334 N 7.02 0.00 -0.97 0.71 0.00 -1.93 -2.51 103.07 105.40 2pa5 h GLY 334 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2pa5 h GLY 334 CO 0.47 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.10 2pa5 n ASP 335 N -3.88 1.73 -3.39 0.19 5.75 -1.26 -4.35 116.55 111.34 2pa5 n ASP 335 Ca -0.02 -1.80 -0.26 0.00 -0.01 0.00 0.00 54.79 52.70 2pa5 n ASP 335 Cb 0.23 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 2pa5 n ASP 335 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2pa5 n VAL 336 N 0.39 0.63 -1.56 2.12 0.31 -0.95 -5.10 118.33 114.17 2pa5 n VAL 336 Ca 0.15 -4.48 -0.30 0.00 -0.01 0.00 0.00 64.34 59.70 2pa5 n VAL 336 Cb 0.32 -2.00 0.21 0.00 -0.91 0.00 0.00 33.84 31.46 2pa5 n VAL 336 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2pa5 s PRO 337 N -1.52 -0.15 0.19 5.55 0.04 -1.26 -4.76 135.00 133.09 2pa5 s PRO 337 Ca 0.35 -0.26 0.11 0.00 0.04 0.00 0.00 61.00 61.24 2pa5 s PRO 337 Cb 0.12 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 2pa5 s PRO 337 CO -0.09 -2.97 -0.20 0.00 0.04 0.00 0.00 177.00 173.78 2pa5 s LEU 339 N -2.70 4.37 0.25 0.00 1.43 -1.26 -4.58 118.68 116.19 2pa5 s LEU 339 Ca 0.22 2.80 -0.06 0.00 -1.03 0.00 0.00 54.13 56.06 2pa5 s LEU 339 Cb -0.08 -3.68 0.27 0.00 0.03 0.00 0.00 46.19 42.73 2pa5 s LEU 339 CO 0.11 -0.68 1.92 0.44 0.23 0.00 0.00 176.35 178.38 2pa5 h ASP 340 N 3.19 1.13 0.62 2.29 3.32 -1.28 -2.88 116.42 122.81 2pa5 h ASP 340 Ca -0.50 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.44 2pa5 h ASP 340 Cb 1.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2pa5 h ASP 340 CO 0.65 0.84 -0.32 1.56 -1.72 0.00 0.00 179.24 180.25 2pa5 h GLN 341 N 1.31 0.00 0.00 3.56 7.50 -1.92 -3.26 115.11 122.31 2pa5 h GLN 341 Ca 0.35 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.50 2pa5 h GLN 341 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.42 2pa5 h GLN 341 CO -0.07 0.32 0.00 0.25 -1.50 0.00 0.00 178.83 177.82 2pa5 n THR 342 N -3.69 0.61 -2.07 -0.54 -2.24 -1.22 -5.07 114.28 100.05 2pa5 n THR 342 Ca -0.01 -0.67 -0.36 0.00 -2.27 0.00 0.00 64.05 60.74 2pa5 n THR 342 Cb 0.42 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 2pa5 n THR 342 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pa5 s ARG 343 N -0.61 3.10 -0.27 -0.78 1.70 -1.09 -1.25 118.95 119.75 2pa5 s ARG 343 Ca 0.00 1.79 -0.26 0.00 -0.47 0.00 0.00 55.73 56.79 2pa5 s ARG 343 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 34.95 32.41 2pa5 s ARG 343 CO 0.00 -1.09 0.92 0.08 -1.08 0.00 0.00 175.30 174.13 2pa5 s VAL 344 N -1.62 4.73 -0.05 4.99 1.01 -0.33 -4.79 120.40 124.34 2pa5 s VAL 344 Ca 0.76 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 64.23 2pa5 s VAL 344 Cb -0.29 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 2pa5 s VAL 344 CO 0.32 -0.21 0.39 -0.54 0.00 0.00 0.00 175.10 175.06 2pa5 s LYS 345 N 3.11 4.04 0.01 2.72 1.02 -1.26 -4.10 119.74 125.28 2pa5 s LYS 345 Ca 0.39 0.35 -0.19 0.00 0.02 0.00 0.00 55.97 56.53 2pa5 s LYS 345 Cb -0.14 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 2pa5 s LYS 345 CO 0.10 0.51 0.55 -0.51 -0.92 0.00 0.00 175.35 175.08 2pa5 s LEU 346 N -0.47 4.45 -0.41 3.17 1.43 0.28 -5.05 118.68 122.08 2pa5 s LEU 346 Ca 0.23 1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 54.30 2pa5 s LEU 346 Cb -0.16 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.23 2pa5 s LEU 346 CO 0.11 0.18 0.37 0.42 0.23 0.00 0.00 176.35 177.66 2pa5 s THR 347 N -0.53 5.16 0.00 5.49 -4.23 -1.26 -4.53 115.64 115.74 2pa5 s THR 347 Ca 0.29 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2pa5 s THR 347 Cb -0.18 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.69 2pa5 s THR 347 CO 0.17 -0.33 0.00 0.29 -0.54 0.00 0.00 174.62 174.20 2pa5 n LYS 348 N 5.41 0.00 0.00 3.99 5.02 -1.26 -5.13 118.16 126.19 2pa5 n LYS 348 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2pa5 n LYS 348 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2pa5 n LYS 348 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2pa5 n GLN 354 N 0.00 0.00 -4.38 1.97 -0.06 -1.26 -5.08 117.38 108.57 2pa5 n GLN 354 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.81 2pa5 n GLN 354 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 2pa5 n GLN 354 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2pa5 s THR 355 N -2.35 0.82 -1.38 1.69 -4.23 -1.26 -5.05 115.64 103.89 2pa5 s THR 355 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2pa5 s THR 355 Cb 0.00 -2.70 0.24 0.00 1.34 0.00 0.00 72.50 71.39 2pa5 s THR 355 CO 0.00 0.00 1.04 -0.90 -0.54 0.00 0.00 174.62 174.22 2pa5 n ASP 356 N -0.59 1.92 -4.80 3.99 5.68 -1.26 -4.92 116.55 116.56 2pa5 n ASP 356 Ca -0.01 -2.15 -0.36 0.00 -0.50 0.00 0.00 54.79 51.76 2pa5 n ASP 356 Cb 0.66 -0.36 -0.07 0.00 -1.14 0.00 0.00 41.12 40.21 2pa5 n ASP 356 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2pa5 s TYR 357 N -1.63 3.53 0.01 2.11 5.04 -1.26 -0.56 117.35 124.60 2pa5 s TYR 357 Ca 0.17 0.53 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2pa5 s TYR 357 Cb 0.11 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 2pa5 s TYR 357 CO 0.08 0.51 -0.04 -1.50 -1.34 0.00 0.00 175.55 173.26 2pa5 s ILE 358 N -0.36 0.30 -1.11 3.14 2.07 -1.26 -4.94 121.20 119.04 2pa5 s ILE 358 Ca 0.14 -0.55 -0.21 0.00 -1.41 0.00 0.00 60.65 58.62 2pa5 s ILE 358 Cb -0.12 -0.33 0.05 0.00 0.13 0.00 0.00 42.46 42.19 2pa5 s ILE 358 CO 0.03 -0.17 1.59 0.21 -1.91 0.00 0.00 174.94 174.69 2pa5 s ASN 359 N -0.77 6.50 -0.25 4.50 3.84 -1.26 -4.60 114.94 122.89 2pa5 s ASN 359 Ca -0.05 -1.75 -0.22 0.00 0.21 0.00 0.00 52.86 51.05 2pa5 s ASN 359 Cb -0.05 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 2pa5 s ASN 359 CO -0.00 -1.51 0.67 0.00 -2.79 0.00 0.00 177.10 173.47 2pa5 s ALA 360 N 5.19 -1.68 -0.02 1.71 0.00 -1.26 -3.21 121.76 122.48 2pa5 s ALA 360 Ca 0.51 1.97 0.05 0.00 0.00 0.00 0.00 51.96 54.49 2pa5 s ALA 360 Cb 0.01 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 2pa5 s ALA 360 CO -0.03 -0.33 -0.17 -1.12 0.00 0.00 0.00 175.76 174.11 2pa5 s SER 361 N 0.59 2.05 0.26 0.00 0.01 -0.19 -1.18 113.70 115.24 2pa5 s SER 361 Ca -0.02 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 2pa5 s SER 361 Cb -0.05 -0.35 -0.10 0.00 0.21 0.00 0.00 66.02 65.73 2pa5 s SER 361 CO -0.03 0.19 1.34 -0.36 0.41 0.00 0.00 173.24 174.79 2pa5 s PHE 362 N -0.24 3.13 -0.04 2.43 0.08 -0.38 -1.10 117.98 121.85 2pa5 s PHE 362 Ca 0.03 1.25 0.01 0.00 0.12 0.00 0.00 56.93 58.33 2pa5 s PHE 362 Cb -0.08 -3.68 0.02 0.00 -0.57 0.00 0.00 43.02 38.71 2pa5 s PHE 362 CO 0.00 -2.06 -0.04 -1.64 -0.10 0.00 0.00 175.22 171.38 2pa5 s MET 363 N -0.81 0.75 0.71 0.44 -1.94 0.28 -4.60 119.30 114.13 2pa5 s MET 363 Ca 0.54 -0.08 -0.13 0.00 -1.71 0.00 0.00 55.69 54.31 2pa5 s MET 363 Cb -0.39 -0.78 0.02 0.00 2.01 0.00 0.00 34.83 35.69 2pa5 s MET 363 CO 0.45 -0.09 1.10 -0.51 -0.01 0.00 0.00 175.02 175.96 2pa5 s ASP 364 N 0.92 4.86 0.00 3.03 1.01 -1.26 -1.19 116.67 124.04 2pa5 s ASP 364 Ca -0.11 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.07 2pa5 s ASP 364 Cb -0.14 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2pa5 s ASP 364 CO -0.00 -1.80 0.00 0.61 0.21 0.00 0.00 175.17 174.19 2pa5 n GLY 365 N -0.82 3.90 3.61 0.21 0.00 0.25 -4.66 105.19 107.67 2pa5 n GLY 365 Ca 0.10 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 2pa5 n GLY 365 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pa5 s TYR 366 N -0.72 1.36 -1.44 1.61 5.04 -1.26 -2.08 117.35 119.86 2pa5 s TYR 366 Ca 0.00 0.45 -0.12 0.00 -2.44 0.00 0.00 57.07 54.96 2pa5 s TYR 366 Cb 0.00 -4.00 0.09 0.00 0.35 0.00 0.00 41.96 38.39 2pa5 s TYR 366 CO 0.00 -3.96 0.68 1.63 -1.34 0.00 0.00 175.55 172.56 2pa5 n LYS 367 N 8.49 -3.99 -3.58 4.97 5.02 0.39 -4.93 118.16 124.53 2pa5 n LYS 367 Ca 0.27 0.51 -0.13 0.00 -2.02 0.00 0.00 58.31 56.94 2pa5 n LYS 367 Cb 0.45 -5.29 -0.12 0.00 -0.02 0.00 0.00 35.03 30.06 2pa5 n LYS 367 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2pa5 s GLN 368 N -6.31 0.22 0.23 1.97 0.74 -0.88 -4.92 119.66 110.71 2pa5 s GLN 368 Ca 0.53 0.67 -0.30 0.00 0.05 0.00 0.00 55.36 56.31 2pa5 s GLN 368 Cb -0.27 -0.24 -0.09 0.00 1.10 0.00 0.00 33.01 33.50 2pa5 s GLN 368 CO 0.65 -0.40 1.26 0.21 -0.55 0.00 0.00 175.29 176.46 2pa5 s LYS 369 N 2.46 4.43 -1.33 1.67 2.20 -1.26 -0.59 119.74 127.32 2pa5 s LYS 369 Ca 0.04 2.02 -0.03 0.00 -0.36 0.00 0.00 55.97 57.64 2pa5 s LYS 369 Cb -0.13 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2pa5 s LYS 369 CO -0.11 -0.15 0.57 0.09 -0.36 0.00 0.00 175.35 175.39 2pa5 n ASN 370 N 2.06 -1.29 0.14 1.43 3.02 -1.24 -4.83 115.26 114.55 2pa5 n ASN 370 Ca 0.04 -0.94 -0.01 0.00 -0.03 0.00 0.00 54.58 53.64 2pa5 n ASN 370 Cb 0.43 -3.47 0.22 0.00 -0.61 0.00 0.00 39.78 36.35 2pa5 n ASN 370 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pa5 h ALA 371 N 0.84 1.09 -2.64 5.41 0.00 -1.28 -3.32 119.26 119.35 2pa5 h ALA 371 Ca -0.63 -0.49 -0.29 0.00 0.00 0.00 0.00 54.91 53.50 2pa5 h ALA 371 Cb 1.37 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 2pa5 h ALA 371 CO 0.58 0.68 -0.72 0.71 0.00 0.00 0.00 179.25 180.50 2pa5 s TYR 372 N -3.81 0.97 -0.22 0.00 2.02 -0.40 -1.39 117.35 114.51 2pa5 s TYR 372 Ca -0.02 -0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 2pa5 s TYR 372 Cb 0.13 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.16 2pa5 s TYR 372 CO 0.76 -0.05 -0.08 0.42 -1.57 0.00 0.00 175.55 175.03 2pa5 s ILE 373 N -2.63 2.93 -0.18 2.71 1.01 0.06 -0.56 121.20 124.53 2pa5 s ILE 373 Ca 0.05 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 2pa5 s ILE 373 Cb -0.02 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2pa5 s ILE 373 CO -0.01 0.35 0.41 -0.83 0.00 0.00 0.00 174.94 174.86 2pa5 s GLY 374 N 1.38 2.15 0.06 6.18 0.00 -0.26 -0.73 107.32 116.10 2pa5 s GLY 374 Ca 0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 2pa5 s GLY 374 CO -0.06 0.79 0.12 -1.08 0.00 0.00 0.00 173.10 172.87 2pa5 s THR 375 N 1.13 0.15 0.87 0.90 -1.32 -0.74 -1.02 115.64 115.61 2pa5 s THR 375 Ca 0.20 -1.27 -0.12 0.00 -1.21 0.00 0.00 61.69 59.30 2pa5 s THR 375 Cb -0.15 -1.21 0.11 0.00 -1.51 0.00 0.00 72.50 69.75 2pa5 s THR 375 CO 0.08 -0.70 1.10 0.00 -2.21 0.00 0.00 174.62 172.89 2pa5 s GLN 376 N -3.39 1.48 0.00 7.08 -2.07 -1.20 -3.44 119.66 118.13 2pa5 s GLN 376 Ca 0.02 0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 53.95 2pa5 s GLN 376 Cb 0.03 -1.84 -0.07 0.00 -1.09 0.00 0.00 33.01 30.04 2pa5 s GLN 376 CO -0.08 -2.05 1.75 0.20 -1.32 0.00 0.00 175.29 173.78 2pa5 s GLY 377 N -3.64 1.51 0.46 2.60 0.00 -0.32 -4.79 107.32 103.15 2pa5 s GLY 377 Ca 0.63 1.11 -0.23 0.00 0.00 0.00 0.00 44.72 46.23 2pa5 s GLY 377 CO 0.56 3.13 0.97 -1.05 0.00 0.00 0.00 173.10 176.71 2pa5 n PRO 378 N 6.90 1.23 -3.96 2.90 -0.02 -1.26 -4.62 135.00 136.17 2pa5 n PRO 378 Ca 0.18 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 2pa5 n PRO 378 Cb 0.42 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 2pa5 n PRO 378 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pa5 s LEU 379 N -0.67 3.97 0.31 2.45 1.43 -1.26 -1.11 118.68 123.80 2pa5 s LEU 379 Ca 0.65 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2pa5 s LEU 379 Cb -0.53 -2.54 0.73 0.00 0.03 0.00 0.00 46.19 43.88 2pa5 s LEU 379 CO 0.55 -0.13 1.80 -0.33 0.23 0.00 0.00 176.35 178.47 2pa5 h GLU 380 N 1.29 0.76 -0.00 1.70 3.07 -1.97 0.18 114.58 119.61 2pa5 h GLU 380 Ca -0.49 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2pa5 h GLU 380 Cb 1.24 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2pa5 h GLU 380 CO 0.60 0.51 -0.02 0.27 -1.40 0.00 0.00 179.01 178.96 2pa5 n ASN 381 N -4.70 0.13 -0.05 1.42 6.94 -1.26 -3.49 115.26 114.25 2pa5 n ASN 381 Ca 0.22 -0.53 0.01 0.00 -0.02 0.00 0.00 54.58 54.25 2pa5 n ASN 381 Cb 0.53 -0.15 0.01 0.00 -2.36 0.00 0.00 39.78 37.81 2pa5 n ASN 381 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2pa5 n THR 382 N -1.09 0.45 -0.21 5.53 -2.24 0.55 -4.76 114.28 112.51 2pa5 n THR 382 Ca 0.18 -0.73 -0.01 0.00 -2.27 0.00 0.00 64.05 61.22 2pa5 n THR 382 Cb 0.21 0.79 0.11 0.00 -2.10 0.00 0.00 70.33 69.33 2pa5 n THR 382 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2pa5 h TYR 383 N 0.19 0.52 -0.58 4.78 0.05 -1.34 0.62 116.97 121.22 2pa5 h TYR 383 Ca 0.00 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 2pa5 h TYR 383 Cb 0.26 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 2pa5 h TYR 383 CO 0.01 0.19 0.08 0.07 -1.05 0.00 0.00 178.16 177.46 2pa5 h ARG 384 N 0.52 0.94 -0.47 4.88 0.11 -1.85 -1.54 114.38 116.96 2pa5 h ARG 384 Ca 0.31 -0.24 -0.05 0.00 0.10 0.00 0.00 59.98 60.09 2pa5 h ARG 384 Cb 0.31 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 2pa5 h ARG 384 CO -0.25 0.88 0.09 -0.44 0.10 0.00 0.00 179.97 180.36 2pa5 h ASP 385 N 0.89 0.74 -0.04 0.08 3.32 -1.56 0.06 116.42 119.90 2pa5 h ASP 385 Ca 0.18 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2pa5 h ASP 385 Cb 0.41 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2pa5 h ASP 385 CO 0.01 0.79 -0.09 0.15 -1.72 0.00 0.00 179.24 178.39 2pa5 h PHE 386 N 0.65 -0.23 -0.42 4.55 3.57 -0.68 -0.06 116.94 124.32 2pa5 h PHE 386 Ca 0.15 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2pa5 h PHE 386 Cb 0.36 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2pa5 h PHE 386 CO 0.02 -0.14 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.31 2pa5 h TRP 387 N -0.14 0.90 -0.70 0.41 4.06 -1.13 -0.83 115.95 118.51 2pa5 h TRP 387 Ca 0.05 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 60.86 2pa5 h TRP 387 Cb 0.20 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 2pa5 h TRP 387 CO -0.18 0.91 0.43 1.25 -3.56 0.00 0.00 178.44 177.29 2pa5 h LEU 388 N 0.71 0.68 -0.24 -4.49 5.85 -0.79 -0.10 115.31 116.93 2pa5 h LEU 388 Ca 0.11 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2pa5 h LEU 388 Cb 0.67 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2pa5 h LEU 388 CO 0.05 0.46 0.12 -0.03 -0.34 0.00 0.00 178.44 178.70 2pa5 h MET 389 N 0.81 0.25 -0.99 1.25 4.05 -0.53 0.23 114.93 120.00 2pa5 h MET 389 Ca 0.29 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.75 2pa5 h MET 389 Cb 0.08 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.76 2pa5 h MET 389 CO -0.13 0.16 0.64 0.28 0.23 0.00 0.00 176.91 178.09 2pa5 h VAL 390 N 0.25 1.12 0.16 -5.77 2.07 -0.83 -0.41 116.25 112.84 2pa5 h VAL 390 Ca 0.10 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2pa5 h VAL 390 Cb 0.02 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 2pa5 h VAL 390 CO -0.07 0.22 -0.07 -0.25 0.02 0.00 0.00 177.57 177.42 2pa5 h TRP 391 N 1.19 -0.19 -0.53 1.57 2.91 -0.43 -1.82 115.95 118.65 2pa5 h TRP 391 Ca 0.41 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.40 2pa5 h TRP 391 Cb 0.10 0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 2pa5 h TRP 391 CO -0.00 0.19 0.21 0.93 -1.03 0.00 0.00 178.44 178.73 2pa5 h GLU 392 N -0.63 0.76 -0.20 2.65 5.08 -0.33 -1.98 114.58 119.93 2pa5 h GLU 392 Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2pa5 h GLU 392 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2pa5 h GLU 392 CO 0.04 0.63 0.00 1.04 -1.00 0.00 0.00 179.01 179.71 2pa5 n GLN 393 N -4.34 1.79 -2.97 2.33 1.13 -0.18 -4.93 117.38 110.21 2pa5 n GLN 393 Ca 0.04 -1.19 -0.21 0.00 -1.94 0.00 0.00 57.00 53.70 2pa5 n GLN 393 Cb 0.16 -1.39 0.01 0.00 0.11 0.00 0.00 30.24 29.13 2pa5 n GLN 393 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pa5 n LYS 394 N 0.42 -3.78 -2.01 -1.09 5.02 -0.75 -4.50 118.16 111.48 2pa5 n LYS 394 Ca 0.16 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 2pa5 n LYS 394 Cb 0.34 -5.53 -0.02 0.00 -0.02 0.00 0.00 35.03 29.80 2pa5 n LYS 394 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pa5 s VAL 395 N -3.03 2.66 -0.04 -0.18 1.01 -0.72 -4.74 120.40 115.37 2pa5 s VAL 395 Ca 0.26 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.88 2pa5 s VAL 395 Cb -0.12 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.76 2pa5 s VAL 395 CO 0.32 0.09 0.16 0.18 0.00 0.00 0.00 175.10 175.84 2pa5 n LEU 396 N 2.43 0.00 -3.92 3.92 4.77 -1.26 -4.84 117.00 118.10 2pa5 n LEU 396 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 2pa5 n LEU 396 Cb 0.40 0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 2pa5 n LEU 396 CO 0.61 0.08 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.65 2pa5 s VAL 397 N -2.54 0.53 -0.10 4.08 1.01 -1.26 -0.84 120.40 121.28 2pa5 s VAL 397 Ca -0.04 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2pa5 s VAL 397 Cb 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2pa5 s VAL 397 CO 0.41 0.20 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 2pa5 s ILE 398 N 0.61 2.41 -0.26 2.22 1.01 -0.02 -1.90 121.20 125.26 2pa5 s ILE 398 Ca -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2pa5 s ILE 398 Cb -0.11 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.45 2pa5 s ILE 398 CO 0.00 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 2pa5 s VAL 399 N 0.17 2.92 -0.15 2.92 1.01 0.13 -0.69 120.40 126.72 2pa5 s VAL 399 Ca -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 2pa5 s VAL 399 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2pa5 s VAL 399 CO 0.06 0.10 0.00 -0.32 0.00 0.00 0.00 175.10 174.95 2pa5 s MET 400 N 1.30 3.61 -0.08 2.72 0.00 0.55 -0.76 119.30 126.65 2pa5 s MET 400 Ca -0.02 -0.44 0.12 0.00 0.00 0.00 0.00 55.69 55.35 2pa5 s MET 400 Cb -0.18 -2.98 0.21 0.00 0.00 0.00 0.00 34.83 31.88 2pa5 s MET 400 CO -0.03 0.36 1.12 0.25 0.00 0.00 0.00 175.02 176.72 2pa5 n THR 401 N 3.21 1.56 -4.23 10.11 -2.24 -0.78 -0.83 114.28 121.08 2pa5 n THR 401 Ca -0.17 -1.72 -0.13 0.00 -2.27 0.00 0.00 64.05 59.76 2pa5 n THR 401 Cb 0.53 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 2pa5 n THR 401 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2pa5 s THR 402 N -2.10 0.16 0.54 4.28 -4.23 -1.26 -4.86 115.64 108.17 2pa5 s THR 402 Ca 0.21 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2pa5 s THR 402 Cb 0.18 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.60 2pa5 s THR 402 CO 0.03 -0.01 0.74 0.54 -0.54 0.00 0.00 174.62 175.38 2pa5 n ARG 403 N -0.32 -0.12 -0.10 3.99 1.74 -1.26 -4.86 116.66 115.73 2pa5 n ARG 403 Ca 0.01 -1.77 -0.13 0.00 -0.77 0.00 0.00 57.85 55.19 2pa5 n ARG 403 Cb 0.66 -0.57 -0.02 0.00 -1.02 0.00 0.00 32.46 31.51 2pa5 n ARG 403 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2pa5 h PHE 404 N -0.77 1.09 -3.80 -1.55 0.04 -1.95 -3.38 116.94 106.62 2pa5 h PHE 404 Ca -0.24 -0.35 -0.25 0.00 2.80 0.00 0.00 57.97 59.93 2pa5 h PHE 404 Cb 0.84 -0.22 -0.27 0.00 2.20 0.00 0.00 35.95 38.49 2pa5 h PHE 404 CO 0.00 1.17 -0.73 -2.00 -0.60 0.00 0.00 178.31 176.15 2pa5 s GLU 405 N -4.30 0.16 -0.04 1.51 2.12 -1.26 -0.28 118.70 116.61 2pa5 s GLU 405 Ca -0.11 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.11 2pa5 s GLU 405 Cb 0.11 -0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.41 2pa5 s GLU 405 CO 0.88 0.03 -0.00 -1.21 -0.54 0.00 0.00 175.26 174.42 2pa5 s GLU 406 N -0.17 0.41 -1.62 4.30 2.02 -0.19 -4.81 118.70 118.64 2pa5 s GLU 406 Ca -0.01 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2pa5 s GLU 406 Cb -0.01 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.60 2pa5 s GLU 406 CO -0.00 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2pa5 n GLY 407 N 4.36 -0.01 2.61 -1.39 0.00 -1.26 -1.04 105.19 108.46 2pa5 n GLY 407 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2pa5 n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa5 n GLY 408 N -0.81 0.66 3.63 -0.02 0.00 -1.26 -5.01 105.19 102.37 2pa5 n GLY 408 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2pa5 n GLY 408 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa5 s ARG 409 N -0.18 4.04 0.11 1.61 0.52 -0.20 -5.06 118.95 119.79 2pa5 s ARG 409 Ca 0.00 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 2pa5 s ARG 409 Cb 0.00 -3.60 -0.07 0.00 0.52 0.00 0.00 34.95 31.80 2pa5 s ARG 409 CO 0.00 -0.11 1.20 1.03 0.02 0.00 0.00 175.30 177.44 2pa5 s ARG 410 N 1.55 4.45 0.00 3.54 0.52 -1.26 -1.03 118.95 126.73 2pa5 s ARG 410 Ca 0.11 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 2pa5 s ARG 410 Cb -0.15 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.01 2pa5 s ARG 410 CO 0.08 -0.20 0.00 1.63 0.02 0.00 0.00 175.30 176.84 2pa5 n LYS 411 N 3.42 2.45 -3.64 3.54 5.02 0.62 -4.96 118.16 124.62 2pa5 n LYS 411 Ca 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 2pa5 n LYS 411 Cb 0.46 -0.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.63 2pa5 n LYS 411 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pa5 s GLY 413 N 0.17 1.61 -1.26 0.00 0.00 -0.27 -4.52 107.32 103.06 2pa5 s GLY 413 Ca 0.03 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.92 2pa5 s GLY 413 CO -0.07 -0.37 1.63 1.20 0.00 0.00 0.00 173.10 175.49 2pa5 s GLN 414 N -5.06 4.02 0.00 2.90 1.11 -1.26 -4.76 119.66 116.61 2pa5 s GLN 414 Ca 0.55 -2.19 0.27 0.00 0.01 0.00 0.00 55.36 54.00 2pa5 s GLN 414 Cb -0.11 -5.37 0.85 0.00 -1.01 0.00 0.00 33.01 27.38 2pa5 s GLN 414 CO 0.46 -2.08 1.62 2.48 0.01 0.00 0.00 175.29 177.78 2pa5 n TYR 415 N 7.44 0.00 -4.20 0.91 0.18 -1.26 -4.90 117.16 115.33 2pa5 n TYR 415 Ca 0.44 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 60.06 2pa5 n TYR 415 Cb 0.45 -0.09 -0.11 0.00 -0.38 0.00 0.00 39.34 39.21 2pa5 n TYR 415 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2pa5 s TRP 416 N -2.37 1.20 -0.14 -3.48 -2.14 -1.26 -5.06 118.94 105.69 2pa5 s TRP 416 Ca 0.28 -0.59 -0.29 0.00 2.66 0.00 0.00 56.10 58.16 2pa5 s TRP 416 Cb 0.20 -0.65 -0.04 0.00 -3.10 0.00 0.00 33.47 29.88 2pa5 s TRP 416 CO 0.47 0.06 1.58 -1.25 -2.66 0.00 0.00 176.95 175.15 2pa5 s PRO 417 N -2.58 4.02 0.13 3.25 0.04 -1.26 -4.93 135.00 133.67 2pa5 s PRO 417 Ca 0.05 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2pa5 s PRO 417 Cb -0.05 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.46 2pa5 s PRO 417 CO 0.01 -1.02 1.44 -0.07 0.04 0.00 0.00 177.00 177.41 2pa5 h LEU 418 N 10.78 0.97 -9.56 -3.56 3.38 -1.98 -3.43 115.31 111.92 2pa5 h LEU 418 Ca -0.35 -0.49 -0.64 0.00 0.09 0.00 0.00 57.88 56.49 2pa5 h LEU 418 Cb 1.16 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 2pa5 h LEU 418 CO 0.98 1.26 -0.63 -1.61 0.09 0.00 0.00 178.44 178.53 2pa5 s GLU 419 N -4.30 2.74 0.19 1.13 2.02 -1.26 -4.93 118.70 114.28 2pa5 s GLU 419 Ca -0.11 -0.75 -0.32 0.00 0.02 0.00 0.00 54.97 53.81 2pa5 s GLU 419 Cb 0.10 -2.65 -0.15 0.00 0.10 0.00 0.00 34.13 31.53 2pa5 s GLU 419 CO 0.88 0.56 1.18 1.17 0.02 0.00 0.00 175.26 179.07 2pa5 n LYS 420 N 0.53 1.30 -0.39 1.61 4.81 -1.26 -1.51 118.16 123.26 2pa5 n LYS 420 Ca -0.10 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2pa5 n LYS 420 Cb 0.52 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2pa5 n LYS 420 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2pa5 n ASP 421 N 1.97 0.00 -4.81 3.14 8.00 0.29 -5.00 116.55 120.14 2pa5 n ASP 421 Ca 0.14 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 2pa5 n ASP 421 Cb 0.26 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 2pa5 n ASP 421 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pa5 s SER 422 N -3.29 5.62 0.09 -2.24 0.01 -0.57 -4.79 113.70 108.52 2pa5 s SER 422 Ca 0.00 1.75 -0.09 0.00 1.31 0.00 0.00 55.95 58.92 2pa5 s SER 422 Cb 0.00 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 2pa5 s SER 422 CO 0.00 -1.28 0.20 0.00 0.41 0.00 0.00 173.24 172.57 2pa5 s ARG 423 N -4.42 0.84 -0.02 12.44 1.70 -1.26 -1.03 118.95 127.20 2pa5 s ARG 423 Ca 0.62 -0.92 0.03 0.00 -0.47 0.00 0.00 55.73 54.98 2pa5 s ARG 423 Cb -0.15 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 2pa5 s ARG 423 CO 0.43 -0.27 -0.09 0.42 -1.08 0.00 0.00 175.30 174.72 2pa5 s ILE 424 N -3.76 0.77 -0.18 4.99 1.01 -0.44 -4.92 121.20 118.67 2pa5 s ILE 424 Ca 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2pa5 s ILE 424 Cb 0.04 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2pa5 s ILE 424 CO -0.10 0.24 0.04 -0.60 0.00 0.00 0.00 174.94 174.51 2pa5 s ARG 425 N 0.08 3.89 -0.73 2.79 3.52 -1.26 -0.90 118.95 126.34 2pa5 s ARG 425 Ca -0.01 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2pa5 s ARG 425 Cb -0.07 -3.17 0.18 0.00 -1.56 0.00 0.00 34.95 30.33 2pa5 s ARG 425 CO 0.00 0.22 0.54 -0.06 -0.81 0.00 0.00 175.30 175.19 2pa5 s PHE 426 N 0.49 3.61 0.00 5.12 0.08 0.88 -5.00 117.98 123.16 2pa5 s PHE 426 Ca 0.02 -3.25 0.00 0.00 0.12 0.00 0.00 56.93 53.82 2pa5 s PHE 426 Cb -0.13 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 2pa5 s PHE 426 CO 0.01 -0.61 0.00 0.41 -0.10 0.00 0.00 175.22 174.93 2pa5 n GLY 427 N 2.18 3.22 0.52 4.36 0.00 -1.26 -1.80 105.19 112.42 2pa5 n GLY 427 Ca 0.18 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.56 2pa5 n GLY 427 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2pa5 n PHE 428 N 9.49 0.25 -4.00 1.61 1.16 -1.26 -4.68 117.46 120.03 2pa5 n PHE 428 Ca 0.00 -0.13 -0.34 0.00 -1.87 0.00 0.00 57.45 55.11 2pa5 n PHE 428 Cb 0.00 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 37.72 2pa5 n PHE 428 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2pa5 s LEU 429 N -1.42 2.63 -0.13 5.98 1.43 -0.74 -0.29 118.68 126.13 2pa5 s LEU 429 Ca 0.29 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2pa5 s LEU 429 Cb 0.15 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 2pa5 s LEU 429 CO 0.23 -0.01 -0.08 -0.89 0.23 0.00 0.00 176.35 175.83 2pa5 s THR 430 N 1.39 3.52 -0.18 5.49 2.01 -0.22 -0.08 115.64 127.56 2pa5 s THR 430 Ca 0.05 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 2pa5 s THR 430 Cb -0.14 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 2pa5 s THR 430 CO -0.06 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.59 2pa5 s VAL 431 N 0.18 2.97 -0.04 3.82 1.01 -0.08 -0.18 120.40 128.08 2pa5 s VAL 431 Ca -0.04 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2pa5 s VAL 431 Cb -0.14 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2pa5 s VAL 431 CO 0.04 0.48 -0.24 -0.89 0.00 0.00 0.00 175.10 174.49 2pa5 s THR 432 N 1.09 2.20 -0.26 3.92 2.01 0.04 -1.32 115.64 123.32 2pa5 s THR 432 Ca 0.00 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 60.71 2pa5 s THR 432 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.57 2pa5 s THR 432 CO -0.03 0.58 0.87 0.21 -0.69 0.00 0.00 174.62 175.56 2pa5 s ASN 433 N -0.44 6.85 0.00 3.53 3.84 -0.20 -0.55 114.94 127.96 2pa5 s ASN 433 Ca 0.05 1.01 0.24 0.00 0.21 0.00 0.00 52.86 54.37 2pa5 s ASN 433 Cb -0.12 -2.45 0.20 0.00 -0.55 0.00 0.00 41.25 38.33 2pa5 s ASN 433 CO 0.01 -0.59 1.21 0.18 -2.79 0.00 0.00 177.10 175.12 2pa5 n LEU 434 N 6.17 1.66 0.00 3.21 4.77 0.65 -0.55 117.00 132.92 2pa5 n LEU 434 Ca 0.07 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2pa5 n LEU 434 Cb 0.47 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2pa5 n LEU 434 CO 0.50 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2pa5 n GLY 435 N 1.41 3.80 3.07 -0.72 0.00 -1.23 -4.90 105.19 106.62 2pa5 n GLY 435 Ca 0.10 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2pa5 n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pa5 s VAL 436 N -1.79 0.91 -0.05 1.61 1.01 -1.26 -1.20 120.40 119.62 2pa5 s VAL 436 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2pa5 s VAL 436 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2pa5 s VAL 436 CO 0.00 0.22 -0.06 -0.70 0.00 0.00 0.00 175.10 174.56 2pa5 s GLU 437 N -0.37 1.06 -0.22 2.72 2.12 -0.01 -5.00 118.70 119.00 2pa5 s GLU 437 Ca 0.04 -0.17 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 2pa5 s GLU 437 Cb -0.05 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.29 2pa5 s GLU 437 CO -0.00 -0.08 0.48 -0.80 -0.54 0.00 0.00 175.26 174.32 2pa5 s ASN 438 N 0.95 6.48 0.57 -1.70 -0.87 -1.26 -0.47 114.94 118.64 2pa5 s ASN 438 Ca -0.10 0.57 0.06 0.00 -1.57 0.00 0.00 52.86 51.81 2pa5 s ASN 438 Cb -0.14 -2.27 0.07 0.00 -0.02 0.00 0.00 41.25 38.89 2pa5 s ASN 438 CO 0.00 -0.19 0.79 -0.04 -2.57 0.00 0.00 177.10 175.10 2pa5 s MET 439 N 1.77 2.30 0.36 -0.60 -1.94 0.26 -5.01 119.30 116.44 2pa5 s MET 439 Ca 0.21 -1.31 0.09 0.00 -1.71 0.00 0.00 55.69 52.98 2pa5 s MET 439 Cb -0.15 -2.57 0.68 0.00 2.01 0.00 0.00 34.83 34.79 2pa5 s MET 439 CO 0.09 -0.85 1.84 -0.97 -0.01 0.00 0.00 175.02 175.12 2pa5 h ASN 440 N 0.09 0.21 0.00 3.03 -1.24 -2.02 -3.30 115.58 112.35 2pa5 h ASN 440 Ca -0.35 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.60 2pa5 h ASN 440 Cb 1.28 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2pa5 h ASN 440 CO 0.43 0.46 0.00 0.00 -1.29 0.00 0.00 177.43 177.03 2pa5 n HIS 441 N -4.19 0.00 -3.73 0.67 1.44 -1.26 -4.89 115.22 103.26 2pa5 n HIS 441 Ca -0.01 -0.09 -0.05 0.00 -2.01 0.00 0.00 57.72 55.56 2pa5 n HIS 441 Cb 0.34 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.43 2pa5 n HIS 441 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2pa5 s TYR 442 N -0.17 -0.18 0.03 -1.40 -0.85 -1.24 -0.99 117.35 112.55 2pa5 s TYR 442 Ca 0.00 -0.13 0.05 0.00 -0.52 0.00 0.00 57.07 56.47 2pa5 s TYR 442 Cb 0.00 0.64 -0.02 0.00 0.38 0.00 0.00 41.96 42.96 2pa5 s TYR 442 CO 0.00 -0.86 -0.14 -1.59 -1.52 0.00 0.00 175.55 171.44 2pa5 s LYS 443 N -3.38 0.95 -0.14 -3.49 -2.85 -0.07 -0.57 119.74 110.19 2pa5 s LYS 443 Ca 0.11 -0.71 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 2pa5 s LYS 443 Cb -0.02 -0.95 -0.00 0.00 -2.06 0.00 0.00 37.83 34.80 2pa5 s LYS 443 CO 0.01 0.24 -0.17 0.21 0.10 0.00 0.00 175.35 175.74 2pa5 s LYS 444 N -1.00 3.20 -0.09 1.78 2.20 0.38 -1.27 119.74 124.94 2pa5 s LYS 444 Ca 0.02 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2pa5 s LYS 444 Cb -0.07 -2.55 0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2pa5 s LYS 444 CO 0.01 0.08 -0.15 0.99 -0.36 0.00 0.00 175.35 175.92 2pa5 s THR 445 N 0.65 1.38 -0.19 3.43 2.01 0.00 -0.83 115.64 122.09 2pa5 s THR 445 Ca -0.09 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 2pa5 s THR 445 Cb -0.16 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2pa5 s THR 445 CO 0.02 0.41 0.35 -0.89 -0.69 0.00 0.00 174.62 173.83 2pa5 s THR 446 N 0.80 5.25 0.04 -0.82 2.01 -0.34 -0.79 115.64 121.79 2pa5 s THR 446 Ca -0.11 0.62 0.08 0.00 0.31 0.00 0.00 61.69 62.60 2pa5 s THR 446 Cb -0.16 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2pa5 s THR 446 CO 0.02 0.31 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.27 2pa5 s LEU 447 N 0.99 2.38 -0.19 4.42 1.43 0.01 -0.25 118.68 127.48 2pa5 s LEU 447 Ca 0.18 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2pa5 s LEU 447 Cb -0.14 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2pa5 s LEU 447 CO 0.07 0.26 -0.01 -0.70 0.23 0.00 0.00 176.35 176.19 2pa5 s GLU 448 N -1.32 3.60 -0.24 1.70 2.12 0.28 -0.79 118.70 124.06 2pa5 s GLU 448 Ca 0.13 -0.53 -0.10 0.00 0.36 0.00 0.00 54.97 54.83 2pa5 s GLU 448 Cb -0.10 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 2pa5 s GLU 448 CO 0.03 0.04 0.14 0.42 -0.54 0.00 0.00 175.26 175.36 2pa5 s ILE 449 N 0.90 5.14 -0.30 -3.70 1.01 0.83 -0.78 121.20 124.30 2pa5 s ILE 449 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 2pa5 s ILE 449 Cb -0.14 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2pa5 s ILE 449 CO 0.02 0.34 0.04 -2.28 0.00 0.00 0.00 174.94 173.06 2pa5 s HIS 450 N 1.15 3.18 -0.47 3.97 2.46 0.75 -1.34 115.29 124.99 2pa5 s HIS 450 Ca 0.07 -1.39 -0.22 0.00 0.47 0.00 0.00 55.06 53.98 2pa5 s HIS 450 Cb -0.14 -2.19 0.03 0.00 -0.13 0.00 0.00 32.58 30.16 2pa5 s HIS 450 CO 0.05 -0.69 0.76 1.21 -2.47 0.00 0.00 174.74 173.60 2pa5 s ASN 451 N 1.39 6.35 0.00 9.88 3.84 0.21 -1.06 114.94 135.56 2pa5 s ASN 451 Ca -0.01 -0.31 0.29 0.00 0.21 0.00 0.00 52.86 53.04 2pa5 s ASN 451 Cb -0.18 -2.37 1.25 0.00 -0.55 0.00 0.00 41.25 39.40 2pa5 s ASN 451 CO 0.00 -0.94 1.88 0.35 -2.79 0.00 0.00 177.10 175.61 2pa5 n THR 452 N 6.02 0.00 -0.09 -5.21 -2.24 0.60 -0.81 114.28 112.54 2pa5 n THR 452 Ca 0.00 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 2pa5 n THR 452 Cb 0.48 -0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 2pa5 n THR 452 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2pa5 h GLU 453 N 0.28 0.02 0.00 -0.78 4.81 -1.92 -3.36 114.58 113.63 2pa5 h GLU 453 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2pa5 h GLU 453 Cb 0.37 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2pa5 h GLU 453 CO 0.00 1.01 0.00 0.39 -0.73 0.00 0.00 179.01 179.68 2pa5 n GLU 454 N -4.44 0.20 -3.46 1.92 1.02 -1.23 -4.95 120.64 109.69 2pa5 n GLU 454 Ca -0.26 0.17 -0.19 0.00 -0.02 0.00 0.00 57.16 56.86 2pa5 n GLU 454 Cb 0.65 -1.73 0.06 0.00 -0.02 0.00 0.00 31.44 30.39 2pa5 n GLU 454 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pa5 n ARG 455 N -2.08 -3.68 -3.99 3.49 1.74 0.01 -5.03 116.66 107.13 2pa5 n ARG 455 Ca 0.06 0.74 -0.09 0.00 -0.77 0.00 0.00 57.85 57.79 2pa5 n ARG 455 Cb 0.40 -5.43 -0.11 0.00 -1.02 0.00 0.00 32.46 26.31 2pa5 n ARG 455 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2pa5 s GLN 456 N -5.21 0.39 0.08 5.56 -0.21 -0.95 -5.02 119.66 114.30 2pa5 s GLN 456 Ca 0.26 -0.70 0.09 0.00 0.02 0.00 0.00 55.36 55.02 2pa5 s GLN 456 Cb -0.05 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.07 2pa5 s GLN 456 CO 0.77 -0.07 -0.23 0.15 -2.12 0.00 0.00 175.29 173.79 2pa5 s LYS 457 N -1.92 1.36 0.01 2.91 1.02 -1.26 -0.62 119.74 121.24 2pa5 s LYS 457 Ca -0.12 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 2pa5 s LYS 457 Cb -0.06 -1.60 -0.01 0.00 -0.52 0.00 0.00 37.83 35.64 2pa5 s LYS 457 CO -0.02 0.39 0.04 1.03 -0.92 0.00 0.00 175.35 175.87 2pa5 s ARG 458 N -1.60 0.32 -0.09 1.68 0.52 -0.45 -4.99 118.95 114.34 2pa5 s ARG 458 Ca 0.09 -0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 54.80 2pa5 s ARG 458 Cb -0.10 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.45 2pa5 s ARG 458 CO 0.03 -0.06 0.23 -0.65 0.02 0.00 0.00 175.30 174.87 2pa5 s GLN 459 N -1.13 3.66 -0.02 3.54 -0.21 -1.26 -0.12 119.66 124.12 2pa5 s GLN 459 Ca -0.12 0.04 0.05 0.00 0.02 0.00 0.00 55.36 55.34 2pa5 s GLN 459 Cb -0.07 -3.22 -0.01 0.00 1.00 0.00 0.00 33.01 30.70 2pa5 s GLN 459 CO 0.00 0.70 -0.16 0.08 -2.12 0.00 0.00 175.29 173.79 2pa5 s VAL 460 N -0.90 1.27 -0.18 1.09 1.01 0.03 -4.83 120.40 117.90 2pa5 s VAL 460 Ca 0.17 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2pa5 s VAL 460 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2pa5 s VAL 460 CO 0.06 0.36 0.09 -0.89 0.00 0.00 0.00 175.10 174.73 2pa5 s THR 461 N -0.33 5.07 -0.22 3.92 2.01 -0.02 -0.81 115.64 125.26 2pa5 s THR 461 Ca 0.05 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 2pa5 s THR 461 Cb -0.07 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2pa5 s THR 461 CO -0.00 0.47 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.09 2pa5 s HIS 462 N 0.20 2.97 -0.17 4.92 5.04 0.03 -0.84 115.29 127.43 2pa5 s HIS 462 Ca 0.06 -0.84 -0.01 0.00 -1.54 0.00 0.00 55.06 52.73 2pa5 s HIS 462 Cb -0.12 -2.11 -0.00 0.00 0.04 0.00 0.00 32.58 30.39 2pa5 s HIS 462 CO -0.00 -0.50 -0.12 -0.06 -2.34 0.00 0.00 174.74 171.72 2pa5 s PHE 463 N 1.42 2.84 -0.24 3.88 0.08 0.14 -0.82 117.98 125.28 2pa5 s PHE 463 Ca 0.05 -0.99 -0.04 0.00 0.12 0.00 0.00 56.93 56.07 2pa5 s PHE 463 Cb -0.14 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 2pa5 s PHE 463 CO -0.02 -0.47 -0.03 -1.14 -0.10 0.00 0.00 175.22 173.46 2pa5 s GLN 464 N 0.95 3.15 0.07 0.44 0.74 -0.40 -0.33 119.66 124.28 2pa5 s GLN 464 Ca -0.02 -0.78 -0.30 0.00 0.05 0.00 0.00 55.36 54.30 2pa5 s GLN 464 Cb -0.15 -3.06 -0.06 0.00 1.10 0.00 0.00 33.01 30.85 2pa5 s GLN 464 CO -0.01 -0.31 1.18 0.12 -0.55 0.00 0.00 175.29 175.72 2pa5 s PHE 465 N 1.43 3.47 -0.42 1.67 5.36 -0.01 -0.89 117.98 128.59 2pa5 s PHE 465 Ca 0.03 1.35 0.12 0.00 -0.96 0.00 0.00 56.93 57.48 2pa5 s PHE 465 Cb -0.15 -3.39 -0.14 0.00 -0.34 0.00 0.00 43.02 39.00 2pa5 s PHE 465 CO -0.03 -1.13 0.44 1.28 -1.46 0.00 0.00 175.22 174.32 2pa5 n LEU 466 N 3.78 0.42 -1.63 6.12 4.77 -0.16 -4.39 117.00 125.91 2pa5 n LEU 466 Ca 0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 2pa5 n LEU 466 Cb 0.47 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.86 2pa5 n LEU 466 CO 0.55 0.10 0.90 -1.20 -1.33 0.00 0.00 177.39 176.41 2pa5 n SER 467 N -1.42 4.56 -4.67 -1.43 7.64 -1.24 -4.89 113.62 112.17 2pa5 n SER 467 Ca 0.01 -3.18 -0.42 0.00 1.01 0.00 0.00 58.87 56.30 2pa5 n SER 467 Cb 0.21 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 2pa5 n SER 467 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2pa5 s TRP 468 N -2.94 3.42 0.67 1.43 -0.11 -1.26 -4.82 118.94 115.33 2pa5 s TRP 468 Ca 0.51 1.32 -0.14 0.00 1.22 0.00 0.00 56.10 59.01 2pa5 s TRP 468 Cb 0.41 -3.07 0.01 0.00 -1.50 0.00 0.00 33.47 29.32 2pa5 s TRP 468 CO 0.12 -0.27 1.10 -1.25 -4.62 0.00 0.00 176.95 172.02 2pa5 s PRO 469 N 2.27 2.78 0.36 5.86 0.04 -1.26 -4.93 135.00 140.12 2pa5 s PRO 469 Ca 0.40 1.29 0.05 0.00 0.04 0.00 0.00 61.00 62.79 2pa5 s PRO 469 Cb -0.17 -1.95 0.72 0.00 0.04 0.00 0.00 34.50 33.14 2pa5 s PRO 469 CO 0.12 -1.25 1.97 -0.44 0.04 0.00 0.00 177.00 177.44 2pa5 h ASP 470 N -0.18 0.67 -4.02 6.66 3.32 -1.98 -3.42 116.42 117.48 2pa5 h ASP 470 Ca -0.46 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 55.90 2pa5 h ASP 470 Cb 1.24 -0.15 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 2pa5 h ASP 470 CO 0.54 0.44 -0.87 -0.31 -1.72 0.00 0.00 179.24 177.33 2pa5 s TYR 471 N -5.68 2.48 0.00 4.55 2.02 -1.26 -4.98 117.35 114.47 2pa5 s TYR 471 Ca -0.10 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2pa5 s TYR 471 Cb 0.19 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 2pa5 s TYR 471 CO 0.77 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 175.00 2pa5 n GLY 472 N 2.87 -0.49 3.57 0.71 0.00 -1.26 -4.90 105.19 105.69 2pa5 n GLY 472 Ca -0.17 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 2pa5 n GLY 472 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pa5 s VAL 473 N 0.00 2.72 0.24 1.61 -7.23 -1.26 -4.71 120.40 111.77 2pa5 s VAL 473 Ca 0.00 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 57.73 2pa5 s VAL 473 Cb 0.00 -2.63 -0.13 0.00 0.56 0.00 0.00 36.38 34.18 2pa5 s VAL 473 CO 0.00 -0.30 1.37 -2.65 -0.31 0.00 0.00 175.10 173.20 2pa5 n PRO 474 N -0.81 1.96 0.24 4.82 -0.02 -1.26 -4.80 135.00 135.12 2pa5 n PRO 474 Ca -0.05 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 2pa5 n PRO 474 Cb 0.61 -2.32 0.59 0.00 -0.02 0.00 0.00 33.50 32.35 2pa5 n PRO 474 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2pa5 h SER 475 N 3.93 0.00 -4.05 2.55 4.64 -1.97 -3.42 113.55 115.23 2pa5 h SER 475 Ca -0.45 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.58 2pa5 h SER 475 Cb 1.28 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.10 2pa5 h SER 475 CO 0.74 0.19 -0.74 -0.55 -0.87 0.00 0.00 176.83 175.59 2pa5 s SER 476 N -6.20 0.51 0.00 4.97 0.15 -1.26 -5.05 113.70 106.82 2pa5 s SER 476 Ca -0.01 -0.16 0.29 0.00 0.70 0.00 0.00 55.95 56.76 2pa5 s SER 476 Cb 0.12 -0.03 1.28 0.00 -1.71 0.00 0.00 66.02 65.68 2pa5 s SER 476 CO 0.61 -0.00 1.89 0.00 1.20 0.00 0.00 173.24 176.94 2pa5 n ALA 477 N 2.69 2.72 -0.17 5.45 0.00 -1.26 -4.39 120.51 125.56 2pa5 n ALA 477 Ca -0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.01 2pa5 n ALA 477 Cb 0.58 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.74 2pa5 n ALA 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa5 h ALA 478 N 3.61 0.64 -0.28 0.00 0.00 -1.96 0.11 119.26 121.37 2pa5 h ALA 478 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2pa5 h ALA 478 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2pa5 h ALA 478 CO 0.00 -0.18 -0.48 0.66 0.00 0.00 0.00 179.25 179.25 2pa5 h SER 479 N 0.40 0.83 -0.55 0.00 4.64 -2.00 -0.80 113.55 116.07 2pa5 h SER 479 Ca 0.24 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2pa5 h SER 479 Cb 0.24 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 2pa5 h SER 479 CO -0.23 1.17 0.28 0.25 -0.87 0.00 0.00 176.83 177.44 2pa5 h LEU 480 N 0.60 0.71 -0.67 5.97 5.85 -1.70 -0.10 115.31 125.97 2pa5 h LEU 480 Ca 0.03 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2pa5 h LEU 480 Cb 1.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2pa5 h LEU 480 CO 0.10 0.62 -0.18 0.40 -0.34 0.00 0.00 178.44 179.04 2pa5 h ILE 481 N 0.74 1.27 -0.83 4.05 2.04 -0.69 -0.31 117.51 123.79 2pa5 h ILE 481 Ca 0.19 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.76 2pa5 h ILE 481 Cb 0.09 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2pa5 h ILE 481 CO -0.03 0.44 0.54 -0.78 0.00 0.00 0.00 178.15 178.33 2pa5 h ASP 482 N 0.74 0.96 -0.60 1.72 3.58 -0.94 -1.37 116.42 120.51 2pa5 h ASP 482 Ca 0.11 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2pa5 h ASP 482 Cb 0.71 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 2pa5 h ASP 482 CO 0.05 0.70 0.25 0.15 -2.88 0.00 0.00 179.24 177.52 2pa5 h PHE 483 N 1.12 0.89 -0.83 0.28 3.57 -0.67 -1.13 116.94 120.18 2pa5 h PHE 483 Ca 0.30 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.82 2pa5 h PHE 483 Cb -0.12 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.29 2pa5 h PHE 483 CO -0.01 0.70 0.49 1.25 -2.23 0.00 0.00 178.31 178.51 2pa5 h LEU 484 N 0.82 0.75 -0.66 0.59 5.85 -0.68 0.67 115.31 122.65 2pa5 h LEU 484 Ca 0.20 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 2pa5 h LEU 484 Cb 0.17 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2pa5 h LEU 484 CO -0.02 0.46 -0.01 0.03 -0.34 0.00 0.00 178.44 178.56 2pa5 h ARG 485 N 0.87 1.03 -0.24 1.25 3.08 -0.42 0.59 114.38 120.55 2pa5 h ARG 485 Ca 0.38 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2pa5 h ARG 485 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2pa5 h ARG 485 CO -0.20 1.01 0.12 0.28 -1.07 0.00 0.00 179.97 180.11 2pa5 h VAL 486 N 0.94 1.00 -0.14 2.04 2.07 -0.34 -1.13 116.25 120.69 2pa5 h VAL 486 Ca 0.17 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2pa5 h VAL 486 Cb 0.56 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2pa5 h VAL 486 CO 0.03 0.05 0.09 0.58 0.02 0.00 0.00 177.57 178.34 2pa5 h VAL 487 N 0.26 1.05 -0.33 2.57 2.07 -0.60 -1.23 116.25 120.05 2pa5 h VAL 487 Ca 0.10 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2pa5 h VAL 487 Cb 0.02 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2pa5 h VAL 487 CO -0.06 0.05 0.04 0.03 0.02 0.00 0.00 177.57 177.65 2pa5 h ARG 488 N 0.17 0.14 -0.75 1.57 3.08 -0.80 -0.14 114.38 117.65 2pa5 h ARG 488 Ca 0.05 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2pa5 h ARG 488 Cb 0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2pa5 h ARG 488 CO -0.01 0.09 0.35 -0.91 -1.07 0.00 0.00 179.97 178.43 2pa5 h ASN 489 N 0.14 0.99 -0.52 7.04 -0.26 -1.01 -1.07 115.58 120.88 2pa5 h ASN 489 Ca 0.16 -0.14 -0.11 0.00 -0.56 0.00 0.00 56.30 55.64 2pa5 h ASN 489 Cb 0.19 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2pa5 h ASN 489 CO -0.23 0.85 -0.12 -0.61 -1.06 0.00 0.00 177.43 176.26 2pa5 h GLN 490 N 1.06 1.00 -0.27 0.81 5.75 -0.77 -1.05 115.11 121.64 2pa5 h GLN 490 Ca 0.26 -0.38 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 2pa5 h GLN 490 Cb 0.13 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 2pa5 h GLN 490 CO -0.03 1.06 0.07 0.37 -2.65 0.00 0.00 178.83 177.64 2pa5 h GLN 491 N 0.87 0.17 -0.38 1.69 5.75 -0.84 0.19 115.11 122.55 2pa5 h GLN 491 Ca 0.13 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 2pa5 h GLN 491 Cb 0.69 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2pa5 h GLN 491 CO 0.05 0.11 0.23 1.03 -2.65 0.00 0.00 178.83 177.60 2pa5 h SER 492 N 0.17 0.37 -0.02 -0.69 0.87 -1.00 0.94 113.55 114.19 2pa5 h SER 492 Ca 0.12 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2pa5 h SER 492 Cb 0.11 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2pa5 h SER 492 CO -0.15 0.26 0.01 0.25 -0.53 0.00 0.00 176.83 176.67 2pa5 h LEU 493 N 0.46 0.03 -0.63 2.23 6.46 -0.84 -0.68 115.31 122.33 2pa5 h LEU 493 Ca 0.15 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2pa5 h LEU 493 Cb 0.00 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2pa5 h LEU 493 CO -0.07 0.23 0.32 0.00 -0.62 0.00 0.00 178.44 178.30 2pa5 h ALA 494 N 0.80 0.82 -0.73 1.25 0.00 -0.42 -1.56 119.26 119.41 2pa5 h ALA 494 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2pa5 h ALA 494 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2pa5 h ALA 494 CO -0.00 0.36 0.33 0.28 0.00 0.00 0.00 179.25 180.22 2pa5 h VAL 495 N 0.87 1.24 -0.38 0.00 2.07 -0.69 -0.73 116.25 118.63 2pa5 h VAL 495 Ca 0.22 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2pa5 h VAL 495 Cb 0.09 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2pa5 h VAL 495 CO -0.03 0.29 0.11 0.77 0.02 0.00 0.00 177.57 178.73 2pa5 h SER 496 N 1.03 0.50 1.05 0.57 4.64 -0.76 -2.44 113.55 118.14 2pa5 h SER 496 Ca 0.25 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2pa5 h SER 496 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2pa5 h SER 496 CO -0.03 0.49 -0.36 0.59 -0.87 0.00 0.00 176.83 176.65 2pa5 n ASN 497 N -4.35 0.67 0.18 4.97 3.02 -0.62 -4.38 115.26 114.76 2pa5 n ASN 497 Ca 0.02 0.27 0.06 0.00 -0.03 0.00 0.00 54.58 54.91 2pa5 n ASN 497 Cb 0.17 -0.20 0.24 0.00 -0.61 0.00 0.00 39.78 39.38 2pa5 n ASN 497 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pa5 h MET 498 N 0.00 0.00 -0.10 3.52 -0.00 -0.63 -3.50 114.93 114.22 2pa5 h MET 498 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 2pa5 h MET 498 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2pa5 h MET 498 CO 0.00 0.34 -0.03 0.41 -0.00 0.00 0.00 176.91 177.63 2pa5 n GLY 499 N 0.68 -2.72 3.40 -3.00 0.00 -1.26 -5.12 105.19 97.18 2pa5 n GLY 499 Ca 0.01 -1.38 -0.49 0.00 0.00 0.00 0.00 46.02 44.17 2pa5 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa5 n ALA 500 N -1.85 0.27 -2.84 4.61 0.00 -1.26 -5.13 120.51 114.31 2pa5 n ALA 500 Ca -0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 2pa5 n ALA 500 Cb 0.02 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 2pa5 n ALA 500 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pa5 s GLU 508 N 7.74 3.11 0.70 0.00 2.02 -1.26 -5.32 118.70 125.69 2pa5 s GLU 508 Ca 1.29 -0.64 -0.15 0.00 0.02 0.00 0.00 54.97 55.49 2pa5 s GLU 508 Cb -1.35 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 30.07 2pa5 s GLU 508 CO 0.56 0.56 1.18 -2.14 0.02 0.00 0.00 175.26 175.44 2pa5 s PRO 509 N -2.64 2.39 0.65 0.39 0.02 -1.26 -4.87 135.00 129.68 2pa5 s PRO 509 Ca 0.32 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 62.88 2pa5 s PRO 509 Cb -0.12 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 2pa5 s PRO 509 CO 0.25 -1.63 1.09 -1.25 -0.33 0.00 0.00 177.00 175.13 2pa5 s PRO 510 N -3.88 2.95 -0.10 5.54 0.04 -1.25 -4.91 135.00 133.38 2pa5 s PRO 510 Ca 0.73 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 2pa5 s PRO 510 Cb -0.27 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2pa5 s PRO 510 CO 0.43 -1.12 0.63 0.42 0.04 0.00 0.00 177.00 177.40 2pa5 s ILE 511 N -2.47 5.08 -0.10 0.56 1.01 -0.49 -4.41 121.20 120.38 2pa5 s ILE 511 Ca 0.65 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 62.31 2pa5 s ILE 511 Cb -0.18 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2pa5 s ILE 511 CO 0.42 0.24 0.86 -0.69 0.00 0.00 0.00 174.94 175.77 2pa5 s VAL 512 N 0.96 4.91 -0.09 2.92 1.01 -0.80 -0.76 120.40 128.53 2pa5 s VAL 512 Ca 0.33 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.07 2pa5 s VAL 512 Cb -0.17 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2pa5 s VAL 512 CO 0.15 0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.51 2pa5 s VAL 513 N 1.54 1.47 0.11 2.92 1.01 0.09 0.22 120.40 127.75 2pa5 s VAL 513 Ca 0.43 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2pa5 s VAL 513 Cb -0.18 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2pa5 s VAL 513 CO 0.18 0.43 -0.09 -1.38 0.00 0.00 0.00 175.10 174.25 2pa5 s HIS 514 N 0.80 1.03 0.00 5.22 -3.43 0.06 -1.80 115.29 117.17 2pa5 s HIS 514 Ca -0.11 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.39 2pa5 s HIS 514 Cb -0.16 -0.56 0.00 0.00 -1.43 0.00 0.00 32.58 30.43 2pa5 s HIS 514 CO 0.02 -0.04 0.00 0.00 -2.00 0.00 0.00 174.74 172.72 2pa5 h SER 516 N 0.00 -1.48 -0.01 0.00 4.64 -1.89 -0.82 113.55 113.98 2pa5 h SER 516 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2pa5 h SER 516 Cb 0.00 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2pa5 h SER 516 CO 0.00 -0.57 -0.33 0.00 -0.87 0.00 0.00 176.83 175.05 2pa5 n ALA 517 N -2.89 3.17 -1.55 5.18 0.00 -1.26 -1.33 120.51 121.83 2pa5 n ALA 517 Ca -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 2pa5 n ALA 517 Cb 0.42 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 2pa5 n ALA 517 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pa5 n GLY 518 N 1.13 0.48 0.00 0.00 0.00 -1.19 -4.06 105.19 101.55 2pa5 n GLY 518 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2pa5 n GLY 518 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2pa5 n ILE 519 N -3.38 0.00 0.00 -0.61 -5.35 -1.26 -4.43 119.36 104.33 2pa5 n ILE 519 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2pa5 n ILE 519 Cb 0.32 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 2pa5 n ILE 519 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pa5 n GLY 520 N 3.00 1.00 0.34 3.28 0.00 -1.26 -0.84 105.19 110.71 2pa5 n GLY 520 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2pa5 n GLY 520 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pa5 h ARG 521 N 0.00 1.05 -0.20 1.61 3.08 -1.96 -1.05 114.38 116.91 2pa5 h ARG 521 Ca 0.00 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 59.96 2pa5 h ARG 521 Cb 0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2pa5 h ARG 521 CO 0.00 0.78 0.03 1.15 -1.07 0.00 0.00 179.97 180.86 2pa5 h THR 522 N 1.06 0.90 -0.52 2.04 2.02 -1.86 -0.01 112.91 116.53 2pa5 h THR 522 Ca 0.27 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 2pa5 h THR 522 Cb 0.04 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2pa5 h THR 522 CO -0.04 0.02 0.13 1.23 0.37 0.00 0.00 175.52 177.23 2pa5 h GLY 523 N 0.11 0.85 0.72 2.16 0.00 -1.12 -1.62 103.07 104.17 2pa5 h GLY 523 Ca 0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2pa5 h GLY 523 CO -0.13 0.45 -0.02 -0.84 0.00 0.00 0.00 176.54 176.00 2pa5 h THR 524 N 0.77 1.28 -0.27 4.70 2.02 -0.77 0.28 112.91 120.93 2pa5 h THR 524 Ca 0.17 -0.91 0.06 0.00 0.77 0.00 0.00 66.41 66.50 2pa5 h THR 524 Cb 0.27 1.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 2pa5 h THR 524 CO -0.00 0.26 -0.09 0.15 0.37 0.00 0.00 175.52 176.20 2pa5 h PHE 525 N -0.15 -0.20 -0.34 3.16 3.57 -0.92 -0.63 116.94 121.42 2pa5 h PHE 525 Ca 0.02 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.38 2pa5 h PHE 525 Cb 0.41 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2pa5 h PHE 525 CO 0.05 -0.15 -0.46 0.00 -2.23 0.00 0.00 178.31 175.52 2pa5 h SER 527 N 0.73 0.72 -0.68 0.00 0.02 -0.74 -0.98 113.55 112.62 2pa5 h SER 527 Ca 0.04 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 2pa5 h SER 527 Cb 1.06 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2pa5 h SER 527 CO 0.11 0.67 0.17 0.25 -1.14 0.00 0.00 176.83 176.89 2pa5 h LEU 528 N 0.72 1.02 -0.26 5.07 5.85 -0.95 -1.04 115.31 125.73 2pa5 h LEU 528 Ca 0.18 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2pa5 h LEU 528 Cb 0.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2pa5 h LEU 528 CO -0.02 0.99 0.09 -0.78 -0.34 0.00 0.00 178.44 178.38 2pa5 h ASP 529 N 1.01 0.11 -0.24 1.25 3.58 -0.99 0.10 116.42 121.25 2pa5 h ASP 529 Ca 0.21 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 2pa5 h ASP 529 Cb 0.36 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2pa5 h ASP 529 CO 0.00 0.10 0.13 0.40 -2.88 0.00 0.00 179.24 176.99 2pa5 h ILE 530 N 0.22 1.11 -0.44 2.25 2.04 -0.90 -0.43 117.51 121.37 2pa5 h ILE 530 Ca 0.11 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 2pa5 h ILE 530 Cb 0.07 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2pa5 h ILE 530 CO -0.11 0.11 0.04 0.00 0.00 0.00 0.00 178.15 178.19 2pa5 h LEU 532 N 0.60 0.32 -0.40 0.00 3.38 -0.67 -0.19 115.31 118.35 2pa5 h LEU 532 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pa5 h LEU 532 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2pa5 h LEU 532 CO 0.01 0.56 0.17 0.00 0.09 0.00 0.00 178.44 179.27 2pa5 h ALA 533 N 1.48 0.52 -0.33 1.53 0.00 -0.77 0.32 119.26 122.01 2pa5 h ALA 533 Ca 0.05 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2pa5 h ALA 533 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2pa5 h ALA 533 CO 0.04 0.11 -0.30 0.37 0.00 0.00 0.00 179.25 179.47 2pa5 h GLN 534 N 0.50 0.69 -0.37 0.00 4.15 -0.99 -1.64 115.11 117.46 2pa5 h GLN 534 Ca 0.13 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 2pa5 h GLN 534 Cb 0.17 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2pa5 h GLN 534 CO -0.01 0.90 -0.09 1.25 -1.93 0.00 0.00 178.83 178.95 2pa5 h LEU 535 N 0.59 0.61 -0.13 -2.39 5.85 -0.47 0.62 115.31 119.99 2pa5 h LEU 535 Ca 0.07 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2pa5 h LEU 535 Cb 0.80 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2pa5 h LEU 535 CO 0.07 0.75 0.01 -0.33 -0.34 0.00 0.00 178.44 178.60 2pa5 h GLU 536 N 0.58 0.22 -0.09 1.25 5.08 -0.57 -1.29 114.58 119.76 2pa5 h GLU 536 Ca 0.11 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 2pa5 h GLU 536 Cb 0.51 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2pa5 h GLU 536 CO 0.03 0.43 -0.77 1.49 -1.00 0.00 0.00 179.01 179.19 2pa5 h GLU 537 N -0.02 0.68 0.00 2.33 4.81 -0.97 -3.39 114.58 118.02 2pa5 h GLU 537 Ca 0.04 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2pa5 h GLU 537 Cb 0.32 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2pa5 h GLU 537 CO 0.00 1.22 0.00 1.28 -0.73 0.00 0.00 179.01 180.78 2pa5 n LEU 538 N -4.01 0.33 -0.95 1.64 4.77 0.18 -5.01 117.00 113.95 2pa5 n LEU 538 Ca -0.09 -0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 55.31 2pa5 n LEU 538 Cb 0.74 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.80 2pa5 n LEU 538 CO 0.52 0.08 -0.11 0.61 -1.33 0.00 0.00 177.39 177.16 2pa5 n GLY 539 N 0.29 0.87 3.19 -0.72 0.00 -0.49 -5.00 105.19 103.34 2pa5 n GLY 539 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 2pa5 n GLY 539 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pa5 s THR 540 N -2.44 0.47 0.28 2.61 -4.23 -1.25 -4.25 115.64 106.83 2pa5 s THR 540 Ca 0.00 -1.94 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 2pa5 s THR 540 Cb 0.00 -1.98 0.04 0.00 1.34 0.00 0.00 72.50 71.90 2pa5 s THR 540 CO 0.00 -0.58 0.80 -1.48 -0.54 0.00 0.00 174.62 172.83 2pa5 s LEU 541 N -3.09 -0.16 -0.29 4.79 2.34 -0.35 -2.09 118.68 119.83 2pa5 s LEU 541 Ca 0.21 -0.71 0.02 0.00 0.06 0.00 0.00 54.13 53.71 2pa5 s LEU 541 Cb 0.07 2.61 0.18 0.00 -0.56 0.00 0.00 46.19 48.49 2pa5 s LEU 541 CO 0.01 -1.33 0.52 0.21 -1.06 0.00 0.00 176.35 174.70 2pa5 s ASN 542 N -3.00 -0.86 0.08 1.48 3.84 -1.26 -0.26 114.94 114.95 2pa5 s ASN 542 Ca 0.13 0.22 -0.20 0.00 0.21 0.00 0.00 52.86 53.23 2pa5 s ASN 542 Cb -0.05 1.73 -0.10 0.00 -0.55 0.00 0.00 41.25 42.29 2pa5 s ASN 542 CO 0.07 -0.30 1.53 0.58 -2.79 0.00 0.00 177.10 176.19 2pa5 h VAL 543 N 6.06 1.24 -0.27 -5.21 2.07 -1.98 -1.25 116.25 116.91 2pa5 h VAL 543 Ca -0.10 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2pa5 h VAL 543 Cb 1.16 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 2pa5 h VAL 543 CO 0.22 0.25 -0.06 0.15 0.02 0.00 0.00 177.57 178.15 2pa5 h PHE 544 N 0.14 -0.14 -0.35 1.57 3.57 -1.99 -0.71 116.94 119.02 2pa5 h PHE 544 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pa5 h PHE 544 Cb 0.36 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2pa5 h PHE 544 CO 0.03 -0.11 0.21 1.96 -2.23 0.00 0.00 178.31 178.16 2pa5 h GLN 545 N 0.01 0.48 -0.25 1.11 4.20 -1.97 -0.96 115.11 117.73 2pa5 h GLN 545 Ca 0.13 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2pa5 h GLN 545 Cb 0.20 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2pa5 h GLN 545 CO -0.28 0.37 0.12 1.15 -0.67 0.00 0.00 178.83 179.52 2pa5 h THR 546 N 0.46 0.99 -0.24 -0.54 2.02 -0.68 0.04 112.91 114.95 2pa5 h THR 546 Ca 0.13 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2pa5 h THR 546 Cb 0.02 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2pa5 h THR 546 CO -0.02 0.05 -0.28 0.58 0.37 0.00 0.00 175.52 176.21 2pa5 h VAL 547 N 0.25 1.32 -0.56 3.16 2.07 -1.11 0.68 116.25 122.06 2pa5 h VAL 547 Ca 0.10 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.19 2pa5 h VAL 547 Cb 0.03 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2pa5 h VAL 547 CO -0.07 0.46 0.33 0.28 0.02 0.00 0.00 177.57 178.58 2pa5 h SER 548 N 0.33 0.51 -0.38 0.57 0.02 -1.04 -1.29 113.55 112.28 2pa5 h SER 548 Ca 0.03 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2pa5 h SER 548 Cb 0.85 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2pa5 h SER 548 CO 0.07 0.36 0.03 0.03 -1.14 0.00 0.00 176.83 176.18 2pa5 h ARG 549 N 0.64 0.64 -0.82 3.45 3.08 -0.85 -2.88 114.38 117.64 2pa5 h ARG 549 Ca 0.23 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2pa5 h ARG 549 Cb 0.06 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2pa5 h ARG 549 CO -0.12 0.72 0.52 1.98 -1.07 0.00 0.00 179.97 182.01 2pa5 h MET 550 N 0.48 1.10 0.00 0.04 4.05 -0.42 -2.01 114.93 118.16 2pa5 h MET 550 Ca 0.11 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2pa5 h MET 550 Cb 0.41 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2pa5 h MET 550 CO 0.01 0.75 0.00 0.54 0.23 0.00 0.00 176.91 178.44 2pa5 n ARG 551 N -4.39 0.04 0.00 0.39 1.74 -0.52 -0.82 116.66 113.09 2pa5 n ARG 551 Ca 0.09 0.34 0.14 0.00 -0.77 0.00 0.00 57.85 57.65 2pa5 n ARG 551 Cb 0.04 -1.58 0.59 0.00 -1.02 0.00 0.00 32.46 30.49 2pa5 n ARG 551 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pa5 n THR 552 N -1.65 0.00 -0.00 0.55 -2.24 -0.76 -3.68 114.28 106.50 2pa5 n THR 552 Ca 0.02 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 2pa5 n THR 552 Cb 0.15 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 2pa5 n THR 552 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pa5 n GLN 553 N -1.33 0.08 -3.59 -0.78 6.02 -0.15 -4.86 117.38 112.77 2pa5 n GLN 553 Ca 0.10 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.72 2pa5 n GLN 553 Cb 0.30 -0.64 -0.08 0.00 1.02 0.00 0.00 30.24 30.85 2pa5 n GLN 553 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2pa5 s ARG 554 N -2.09 2.62 0.41 -1.09 6.06 -0.00 -4.71 118.95 120.15 2pa5 s ARG 554 Ca -0.05 -2.11 -0.25 0.00 -2.50 0.00 0.00 55.73 50.82 2pa5 s ARG 554 Cb 0.02 -3.91 -0.11 0.00 0.06 0.00 0.00 34.95 31.01 2pa5 s ARG 554 CO 0.07 -1.19 1.12 0.00 -2.50 0.00 0.00 175.30 172.79 2pa5 n ALA 555 N 4.31 0.62 -0.97 6.12 0.00 -1.24 -2.23 120.51 127.12 2pa5 n ALA 555 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2pa5 n ALA 555 Cb 0.41 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2pa5 n ALA 555 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2pa5 n PHE 556 N -0.30 0.00 -1.64 0.00 3.72 -1.26 -4.90 117.46 113.08 2pa5 n PHE 556 Ca 0.08 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.03 2pa5 n PHE 556 Cb 0.39 -0.64 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 2pa5 n PHE 556 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pa5 n SER 557 N -0.28 2.14 -1.82 4.37 7.64 -0.95 -4.07 113.62 120.64 2pa5 n SER 557 Ca 0.00 1.16 -0.02 0.00 1.01 0.00 0.00 58.87 61.02 2pa5 n SER 557 Cb 0.14 -1.36 -0.01 0.00 -1.01 0.00 0.00 64.21 61.96 2pa5 n SER 557 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pa5 n ILE 558 N 1.19 -6.85 -0.01 0.44 2.08 -0.02 -4.83 119.36 111.35 2pa5 n ILE 558 Ca 0.11 1.16 -0.01 0.00 0.56 0.00 0.00 62.75 64.56 2pa5 n ILE 558 Cb 0.31 -4.59 -0.12 0.00 -0.75 0.00 0.00 39.64 34.49 2pa5 n ILE 558 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2pa5 n GLN 559 N 0.69 0.64 -4.12 0.38 7.27 -1.26 -4.94 117.38 116.04 2pa5 n GLN 559 Ca -0.13 0.10 -0.11 0.00 0.07 0.00 0.00 57.00 56.93 2pa5 n GLN 559 Cb 0.19 -1.69 -0.11 0.00 2.41 0.00 0.00 30.24 31.05 2pa5 n GLN 559 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2pa5 s THR 560 N -2.90 0.59 0.44 1.69 -4.23 -1.26 -5.04 115.64 104.94 2pa5 s THR 560 Ca -0.06 -1.58 0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2pa5 s THR 560 Cb 0.09 -1.23 0.22 0.00 1.34 0.00 0.00 72.50 72.91 2pa5 s THR 560 CO 0.83 -0.68 2.03 1.55 -0.54 0.00 0.00 174.62 177.81 2pa5 h PRO 561 N 3.60 0.16 -0.36 3.99 0.13 -1.93 -2.27 132.00 135.31 2pa5 h PRO 561 Ca -0.35 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2pa5 h PRO 561 Cb 1.18 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2pa5 h PRO 561 CO 0.55 0.21 0.01 0.93 -0.23 0.00 0.00 178.00 179.47 2pa5 h GLU 562 N 0.16 0.56 -0.46 0.86 3.07 -1.98 0.06 114.58 116.85 2pa5 h GLU 562 Ca 0.04 -0.12 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 2pa5 h GLU 562 Cb 0.18 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2pa5 h GLU 562 CO 0.01 0.58 -0.26 1.96 -1.40 0.00 0.00 179.01 179.90 2pa5 h GLN 563 N 0.54 0.98 -0.08 2.33 4.20 -1.84 0.01 115.11 121.25 2pa5 h GLN 563 Ca 0.12 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 2pa5 h GLN 563 Cb 0.34 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2pa5 h GLN 563 CO 0.01 1.12 0.02 -0.92 -0.67 0.00 0.00 178.83 178.39 2pa5 h TYR 564 N 0.84 0.14 -0.80 2.96 3.20 -0.98 -2.26 116.97 120.06 2pa5 h TYR 564 Ca 0.10 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2pa5 h TYR 564 Cb 0.85 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2pa5 h TYR 564 CO 0.06 0.32 0.52 -0.92 -1.64 0.00 0.00 178.16 176.50 2pa5 h TYR 565 N -0.08 0.98 -0.99 -3.82 3.20 -0.95 -1.93 116.97 113.38 2pa5 h TYR 565 Ca 0.03 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.08 2pa5 h TYR 565 Cb 0.25 -0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.09 2pa5 h TYR 565 CO 0.01 0.59 0.61 0.35 -1.64 0.00 0.00 178.16 178.07 2pa5 h PHE 566 N 1.04 1.08 -0.40 -3.82 3.57 -0.83 0.94 116.94 118.52 2pa5 h PHE 566 Ca 0.31 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.85 2pa5 h PHE 566 Cb -0.05 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 2pa5 h PHE 566 CO -0.02 0.32 0.26 0.00 -2.23 0.00 0.00 178.31 176.64 2pa5 h TYR 568 N 0.53 -0.32 -0.67 0.00 0.05 -1.32 -2.91 116.97 112.33 2pa5 h TYR 568 Ca 0.15 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.86 2pa5 h TYR 568 Cb -0.06 0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 2pa5 h TYR 568 CO -0.05 -0.18 0.20 0.87 -1.05 0.00 0.00 178.16 177.95 2pa5 h LYS 569 N -0.37 1.04 -0.67 4.88 1.79 -0.50 -2.22 116.57 120.52 2pa5 h LYS 569 Ca -0.04 -0.22 0.03 0.00 -2.18 0.00 0.00 60.65 58.25 2pa5 h LYS 569 Cb 0.28 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 2pa5 h LYS 569 CO 0.06 0.90 0.41 0.00 -1.08 0.00 0.00 179.45 179.73 2pa5 h ALA 570 N 1.21 0.87 -0.55 3.86 0.00 -0.30 0.16 119.26 124.51 2pa5 h ALA 570 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2pa5 h ALA 570 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2pa5 h ALA 570 CO -0.01 0.16 0.08 0.82 0.00 0.00 0.00 179.25 180.30 2pa5 h ILE 571 N 0.79 1.25 -0.21 0.00 2.04 -1.28 0.79 117.51 120.89 2pa5 h ILE 571 Ca 0.27 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 2pa5 h ILE 571 Cb 0.05 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2pa5 h ILE 571 CO -0.12 0.35 -0.28 -0.07 0.00 0.00 0.00 178.15 178.03 2pa5 h LEU 572 N 0.80 0.42 -0.26 1.44 3.38 -0.98 0.03 115.31 120.14 2pa5 h LEU 572 Ca 0.17 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2pa5 h LEU 572 Cb 0.42 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2pa5 h LEU 572 CO 0.01 0.69 -0.03 -0.08 0.09 0.00 0.00 178.44 179.12 2pa5 h GLU 573 N 0.36 0.47 -0.36 1.13 4.81 -0.44 -1.50 114.58 119.06 2pa5 h GLU 573 Ca 0.05 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2pa5 h GLU 573 Cb 0.69 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 2pa5 h GLU 573 CO 0.05 0.67 -0.05 0.35 -0.73 0.00 0.00 179.01 179.30 2pa5 h PHE 574 N 0.23 -0.12 -0.40 0.92 3.57 -0.64 0.82 116.94 121.32 2pa5 h PHE 574 Ca 0.07 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2pa5 h PHE 574 Cb 0.48 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 2pa5 h PHE 574 CO 0.04 -0.12 0.11 0.00 -2.23 0.00 0.00 178.31 176.12 2pa5 h ALA 575 N 1.34 0.46 -0.25 2.41 0.00 -0.79 0.14 119.26 122.57 2pa5 h ALA 575 Ca 0.18 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2pa5 h ALA 575 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2pa5 h ALA 575 CO -0.34 -0.29 0.12 1.49 0.00 0.00 0.00 179.25 180.23 2pa5 h GLU 576 N 0.25 0.25 -0.65 0.00 4.57 -0.92 -0.09 114.58 117.99 2pa5 h GLU 576 Ca 0.19 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.39 2pa5 h GLU 576 Cb 0.21 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 2pa5 h GLU 576 CO -0.22 0.16 0.43 -0.22 -1.18 0.00 0.00 179.01 177.98 2pa5 h LYS 577 N 0.26 0.75 -0.06 1.92 3.64 -0.04 -0.56 116.57 122.47 2pa5 h LYS 577 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2pa5 h LYS 577 Cb 0.03 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2pa5 h LYS 577 CO -0.07 0.50 0.00 0.39 -2.27 0.00 0.00 179.45 178.00 2pa5 n GLU 578 N -4.46 1.20 -1.82 1.90 -0.58 0.41 -4.92 120.64 112.37 2pa5 n GLU 578 Ca 0.08 -0.31 -0.09 0.00 -0.42 0.00 0.00 57.16 56.42 2pa5 n GLU 578 Cb 0.13 -1.24 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 2pa5 n GLU 578 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pa5 n GLY 579 N 0.81 0.41 0.65 0.62 0.00 -0.22 -4.92 105.19 102.54 2pa5 n GLY 579 Ca 0.11 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.71 2pa5 n GLY 579 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pa5 n MET 580 N -2.21 1.78 -4.66 1.61 2.81 -0.09 -4.95 117.12 111.42 2pa5 n MET 580 Ca -0.10 -1.30 -0.33 0.00 -1.81 0.00 0.00 57.70 54.16 2pa5 n MET 580 Cb 0.47 -1.47 -0.16 0.00 -0.71 0.00 0.00 33.22 31.35 2pa5 n MET 580 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2pa5 s VAL 581 N -2.12 2.24 -0.10 2.03 1.01 -1.25 -4.90 120.40 117.30 2pa5 s VAL 581 Ca 0.30 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2pa5 s VAL 581 Cb 0.20 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2pa5 s VAL 581 CO 0.37 0.54 0.02 -0.44 0.00 0.00 0.00 175.10 175.60 2pa5 s SER 582 N 0.79 5.40 0.36 3.32 0.01 -1.26 -4.97 113.70 117.35 2pa5 s SER 582 Ca -0.07 0.17 0.07 0.00 1.31 0.00 0.00 55.95 57.43 2pa5 s SER 582 Cb -0.16 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 2pa5 s SER 582 CO -0.01 0.36 0.39 0.00 0.41 0.00 0.00 173.24 174.39 2pa5 s ALA 583 N -0.76 4.07 -2.00 1.44 0.00 -1.26 -5.18 121.76 118.06 2pa5 s ALA 583 Ca 0.12 -1.65 0.19 0.00 0.00 0.00 0.00 51.96 50.62 2pa5 s ALA 583 Cb -0.12 -1.32 1.12 0.00 0.00 0.00 0.00 23.12 22.80 2pa5 s ALA 583 CO 0.02 -0.08 1.51 0.72 0.00 0.00 0.00 175.76 177.93