#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 0.68 -2.74 2.46 -1.51 -1.91 -3.39 116.25 109.83 2pa5 h VAL 278 Ca 0.00 -1.18 -0.68 0.00 -1.23 0.00 0.00 66.70 63.60 2pa5 h VAL 278 Cb 0.00 1.77 -0.18 0.00 -2.13 0.00 0.00 31.29 30.75 2pa5 h VAL 278 CO 0.00 0.26 0.48 -1.00 -1.23 0.00 0.00 177.57 176.07 2pa5 s HIS 279 N -3.71 3.01 0.05 5.19 4.02 -1.26 -4.98 115.29 117.61 2pa5 s HIS 279 Ca -0.00 -1.08 0.03 0.00 1.02 0.00 0.00 55.06 55.04 2pa5 s HIS 279 Cb 0.11 -4.17 -0.02 0.00 -1.02 0.00 0.00 32.58 27.48 2pa5 s HIS 279 CO 0.65 -1.44 -0.10 0.14 1.02 0.00 0.00 174.74 175.01 2pa5 s VAL 280 N 2.87 0.75 0.58 -0.90 -7.23 -1.26 -1.17 120.40 114.04 2pa5 s VAL 280 Ca 0.22 -1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 2pa5 s VAL 280 Cb -0.14 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2pa5 s VAL 280 CO 0.01 -0.29 1.27 -2.16 -0.31 0.00 0.00 175.10 173.62 2pa5 s PRO 281 N -1.55 3.02 0.00 4.82 0.04 -1.26 -5.07 135.00 134.99 2pa5 s PRO 281 Ca -0.06 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2pa5 s PRO 281 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2pa5 s PRO 281 CO 0.01 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.25 2pa5 n GLY 282 N 0.66 3.07 0.47 0.56 0.00 -1.26 -5.13 105.19 103.56 2pa5 n GLY 282 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2pa5 n GLY 282 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pa5 n HIS 284 N 0.00 0.00 -1.89 1.61 -0.00 -1.26 -5.00 115.22 108.69 2pa5 n HIS 284 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2pa5 n HIS 284 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.03 2pa5 n HIS 284 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pa5 s ALA 285 N 0.00 2.47 0.04 1.59 0.00 -1.26 -4.89 121.76 119.71 2pa5 s ALA 285 Ca 0.00 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.88 2pa5 s ALA 285 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2pa5 s ALA 285 CO 0.00 -1.26 -0.17 -1.64 0.00 0.00 0.00 175.76 172.69 2pa5 s MET 286 N -3.60 1.14 0.91 0.00 -1.94 -0.07 -4.85 119.30 110.89 2pa5 s MET 286 Ca 0.74 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 53.75 2pa5 s MET 286 Cb -0.27 -1.21 0.14 0.00 2.01 0.00 0.00 34.83 35.50 2pa5 s MET 286 CO 0.36 0.30 1.16 0.95 -0.01 0.00 0.00 175.02 177.78 2pa5 s THR 287 N -0.82 1.98 0.17 2.05 -4.23 -1.26 -1.15 115.64 112.38 2pa5 s THR 287 Ca 0.04 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.41 2pa5 s THR 287 Cb -0.08 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.02 2pa5 s THR 287 CO 0.02 0.00 1.82 0.40 -0.54 0.00 0.00 174.62 176.31 2pa5 h ILE 288 N -1.47 1.06 -0.59 2.99 1.08 -1.95 0.84 117.51 119.48 2pa5 h ILE 288 Ca -0.49 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 2pa5 h ILE 288 Cb 1.32 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 2pa5 h ILE 288 CO 0.60 0.11 0.34 -0.61 -0.69 0.00 0.00 178.15 177.91 2pa5 h GLN 289 N 0.60 0.81 -0.58 2.37 5.75 -1.93 -0.45 115.11 121.68 2pa5 h GLN 289 Ca 0.19 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2pa5 h GLN 289 Cb 0.00 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 2pa5 h GLN 289 CO -0.08 0.60 0.15 0.93 -2.65 0.00 0.00 178.83 177.78 2pa5 h GLU 290 N 0.80 0.90 -0.61 1.69 5.08 -1.82 -2.81 114.58 117.82 2pa5 h GLU 290 Ca 0.21 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2pa5 h GLU 290 Cb 0.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2pa5 h GLU 290 CO -0.04 0.81 0.23 1.25 -1.00 0.00 0.00 179.01 180.26 2pa5 h LEU 291 N 0.87 0.86 -0.35 1.33 5.85 0.00 0.15 115.31 124.01 2pa5 h LEU 291 Ca 0.19 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2pa5 h LEU 291 Cb 0.31 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2pa5 h LEU 291 CO -0.00 0.81 0.15 0.58 -0.34 0.00 0.00 178.44 179.63 2pa5 h VAL 292 N 0.86 0.94 -0.28 1.05 2.07 -0.99 -0.74 116.25 119.15 2pa5 h VAL 292 Ca 0.20 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 2pa5 h VAL 292 Cb 0.23 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2pa5 h VAL 292 CO -0.01 0.06 -0.22 0.44 0.02 0.00 0.00 177.57 177.85 2pa5 h ASP 293 N 0.32 0.68 -0.13 0.57 3.32 -1.22 -1.56 116.42 118.40 2pa5 h ASP 293 Ca 0.16 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.79 2pa5 h ASP 293 Cb 0.10 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2pa5 h ASP 293 CO -0.13 0.99 -0.08 0.22 -1.72 0.00 0.00 179.24 178.52 2pa5 h TYR 294 N 0.38 -0.18 -0.37 4.55 3.20 -0.50 -1.00 116.97 123.05 2pa5 h TYR 294 Ca 0.05 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 2pa5 h TYR 294 Cb 0.77 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2pa5 h TYR 294 CO 0.07 -0.12 -0.28 0.28 -1.64 0.00 0.00 178.16 176.47 2pa5 h VAL 295 N -0.07 1.28 -0.67 1.81 2.07 -1.13 -2.58 116.25 116.95 2pa5 h VAL 295 Ca 0.08 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2pa5 h VAL 295 Cb 0.18 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2pa5 h VAL 295 CO -0.17 0.47 0.42 0.78 0.02 0.00 0.00 177.57 179.09 2pa5 h ASN 296 N 0.66 0.79 0.09 0.57 2.35 -1.00 0.94 115.58 119.99 2pa5 h ASN 296 Ca 0.08 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 2pa5 h ASN 296 Cb 0.81 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2pa5 h ASN 296 CO 0.07 0.60 -0.35 0.00 -1.65 0.00 0.00 177.43 176.09 2pa5 h ALA 297 N 1.54 1.08 0.06 -0.83 0.00 -0.93 -3.36 119.26 116.84 2pa5 h ALA 297 Ca 0.24 -0.39 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 2pa5 h ALA 297 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2pa5 h ALA 297 CO -0.05 0.58 -2.17 0.54 0.00 0.00 0.00 179.25 178.15 2pa5 n ARG 298 N -4.07 0.70 -0.33 0.00 1.74 -0.85 -4.96 116.66 108.89 2pa5 n ARG 298 Ca -0.01 0.24 0.05 0.00 -0.77 0.00 0.00 57.85 57.35 2pa5 n ARG 298 Cb 0.45 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2pa5 n ARG 298 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pa5 n GLN 299 N -3.49 -0.67 -0.15 5.56 1.13 0.27 -0.93 117.38 119.10 2pa5 n GLN 299 Ca -0.38 0.44 -0.04 0.00 -1.94 0.00 0.00 57.00 55.08 2pa5 n GLN 299 Cb 1.00 -0.82 0.05 0.00 0.11 0.00 0.00 30.24 30.58 2pa5 n GLN 299 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2pa5 h LYS 300 N 0.00 0.36 -0.24 -1.09 3.64 -1.98 -1.37 116.57 115.90 2pa5 h LYS 300 Ca 0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2pa5 h LYS 300 Cb 0.30 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2pa5 h LYS 300 CO 0.00 0.24 0.05 0.37 -2.27 0.00 0.00 179.45 177.84 2pa5 h GLN 301 N 0.37 0.14 -0.46 1.90 5.75 -2.00 0.15 115.11 120.97 2pa5 h GLN 301 Ca 0.22 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.60 2pa5 h GLN 301 Cb 0.20 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2pa5 h GLN 301 CO -0.21 0.09 -0.15 0.78 -2.65 0.00 0.00 178.83 176.69 2pa5 h GLY 302 N 0.15 0.94 1.37 2.39 0.00 -0.78 -1.22 103.07 105.91 2pa5 h GLY 302 Ca 0.11 -0.76 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 2pa5 h GLY 302 CO -0.14 0.70 -0.67 -2.22 0.00 0.00 0.00 176.54 174.21 2pa5 h ILE 303 N 0.77 1.32 -0.88 2.60 1.08 -0.96 -1.93 117.51 119.50 2pa5 h ILE 303 Ca 0.12 -1.93 -0.02 0.00 -0.39 0.00 0.00 64.86 62.63 2pa5 h ILE 303 Cb 0.68 1.90 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 2pa5 h ILE 303 CO 0.05 0.60 0.46 1.88 -0.69 0.00 0.00 178.15 180.45 2pa5 h TYR 304 N 0.46 1.23 -0.78 1.37 -1.99 -0.56 -1.22 116.97 115.48 2pa5 h TYR 304 Ca -0.02 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2pa5 h TYR 304 Cb 1.26 -0.39 -0.04 0.00 2.00 0.00 0.00 36.73 39.56 2pa5 h TYR 304 CO 0.06 0.87 0.49 0.93 -0.00 0.00 0.00 178.16 180.51 2pa5 h GLU 305 N 1.24 1.05 -0.55 4.88 5.08 -1.05 -1.94 114.58 123.30 2pa5 h GLU 305 Ca 0.31 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 2pa5 h GLU 305 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2pa5 h GLU 305 CO -0.05 0.72 -0.11 1.49 -1.00 0.00 0.00 179.01 180.06 2pa5 h GLU 306 N 1.07 1.04 -0.68 2.33 4.81 -0.78 -1.17 114.58 121.19 2pa5 h GLU 306 Ca 0.28 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2pa5 h GLU 306 Cb -0.07 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2pa5 h GLU 306 CO -0.06 1.08 0.44 -0.92 -0.73 0.00 0.00 179.01 178.82 2pa5 h TYR 307 N 0.92 0.82 -0.15 0.92 3.20 -0.82 -2.18 116.97 119.68 2pa5 h TYR 307 Ca 0.14 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2pa5 h TYR 307 Cb 0.68 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2pa5 h TYR 307 CO 0.05 0.49 -0.10 0.93 -1.64 0.00 0.00 178.16 177.88 2pa5 h GLU 308 N 0.87 0.24 -0.71 1.82 4.39 -0.71 0.37 114.58 120.84 2pa5 h GLU 308 Ca 0.26 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2pa5 h GLU 308 Cb -0.03 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2pa5 h GLU 308 CO -0.09 0.35 0.42 -0.44 -1.16 0.00 0.00 179.01 178.09 2pa5 h ASP 309 N 0.23 0.87 -0.16 1.42 3.32 -0.63 0.41 116.42 121.87 2pa5 h ASP 309 Ca 0.05 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2pa5 h ASP 309 Cb 0.33 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pa5 h ASP 309 CO 0.02 0.69 -0.04 0.40 -1.72 0.00 0.00 179.24 178.58 2pa5 h ILE 310 N 0.98 1.29 0.00 0.35 2.04 -0.61 -3.24 117.51 118.32 2pa5 h ILE 310 Ca 0.25 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2pa5 h ILE 310 Cb -0.01 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2pa5 h ILE 310 CO -0.05 0.30 -0.00 -0.09 0.00 0.00 0.00 178.15 178.31 2pa5 h ARG 311 N 0.02 0.00 0.00 2.37 2.43 0.09 -2.65 114.38 116.64 2pa5 h ARG 311 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2pa5 h ARG 311 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2pa5 h ARG 311 CO 0.02 0.00 0.00 -0.09 -1.51 0.00 0.00 179.97 178.39 2pa5 h ARG 312 N 0.00 0.00 -6.79 0.20 2.43 -0.95 -3.45 114.38 105.82 2pa5 h ARG 312 Ca -0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2pa5 h ARG 312 Cb 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2pa5 h ARG 312 CO 0.00 0.00 0.57 -1.21 -1.51 0.00 0.00 179.97 177.82 2pa5 s GLU 313 N -3.22 4.48 0.19 0.20 0.41 -1.00 -5.00 118.70 114.77 2pa5 s GLU 313 Ca 0.08 2.00 -0.30 0.00 -0.41 0.00 0.00 54.97 56.34 2pa5 s GLU 313 Cb 0.09 -3.16 -0.08 0.00 -1.78 0.00 0.00 34.13 29.21 2pa5 s GLU 313 CO 0.60 -0.05 1.03 -0.80 -0.49 0.00 0.00 175.26 175.56 2pa5 s ASN 314 N -0.40 7.41 0.49 -0.19 0.01 -1.26 -4.99 114.94 116.00 2pa5 s ASN 314 Ca 0.49 2.02 -0.23 0.00 -0.71 0.00 0.00 52.86 54.44 2pa5 s ASN 314 Cb -0.36 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 38.63 2pa5 s ASN 314 CO 0.44 -0.09 1.27 -2.84 -1.51 0.00 0.00 177.10 174.38 2pa5 s PRO 315 N -0.65 3.53 -0.16 -0.60 0.02 -1.26 -5.01 135.00 130.86 2pa5 s PRO 315 Ca 0.46 2.04 -0.05 0.00 0.02 0.00 0.00 61.00 63.47 2pa5 s PRO 315 Cb -0.28 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 2pa5 s PRO 315 CO 0.34 -0.81 0.00 0.54 -0.33 0.00 0.00 177.00 176.74 2pa5 s VAL 316 N -1.39 4.24 -0.92 3.83 0.11 -1.26 -4.99 120.40 120.02 2pa5 s VAL 316 Ca 0.66 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2pa5 s VAL 316 Cb -0.35 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2pa5 s VAL 316 CO 0.43 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 173.30 2pa5 n GLY 317 N 3.45 0.55 3.17 6.54 0.00 -1.26 -4.98 105.19 112.67 2pa5 n GLY 317 Ca -0.17 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.59 0.57 -0.08 2.61 -4.23 -1.26 -5.05 115.64 107.61 2pa5 s THR 318 Ca 0.00 -1.93 0.15 0.00 -1.18 0.00 0.00 61.69 58.73 2pa5 s THR 318 Cb 0.00 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 72.33 2pa5 s THR 318 CO 0.00 -0.75 1.14 0.49 -0.54 0.00 0.00 174.62 174.96 2pa5 n PHE 319 N -0.08 0.00 -0.24 3.99 3.72 -1.26 -0.34 117.46 123.25 2pa5 n PHE 319 Ca -0.10 -0.74 -0.04 0.00 -0.05 0.00 0.00 57.45 56.52 2pa5 n PHE 319 Cb 0.62 -0.15 0.07 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.56 0.79 -0.17 1.38 3.86 -1.97 -2.38 115.15 117.22 2pa5 h HIS 320 Ca -0.07 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 2pa5 h HIS 320 Cb 1.37 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 2pa5 h HIS 320 CO 0.28 0.45 -0.23 0.00 0.86 0.00 0.00 177.93 179.29 2pa5 h SER 322 N 0.10 0.00 -0.65 0.00 4.64 -1.75 -1.92 113.55 113.97 2pa5 h SER 322 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2pa5 h SER 322 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2pa5 h SER 322 CO 0.05 0.08 0.00 0.23 -0.87 0.00 0.00 176.83 176.32 2pa5 n MET 323 N -4.07 2.77 -2.20 4.77 2.81 -0.91 -4.59 117.12 115.71 2pa5 n MET 323 Ca -0.03 -2.53 -0.32 0.00 -1.81 0.00 0.00 57.70 53.01 2pa5 n MET 323 Cb 0.16 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 2pa5 n MET 323 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2pa5 s SER 324 N -1.00 6.45 0.29 7.83 1.04 -0.72 -4.89 113.70 122.69 2pa5 s SER 324 Ca 0.43 1.53 0.03 0.00 0.48 0.00 0.00 55.95 58.42 2pa5 s SER 324 Cb 0.23 -2.50 0.65 0.00 0.10 0.00 0.00 66.02 64.49 2pa5 s SER 324 CO 0.29 -0.71 1.78 -0.65 0.98 0.00 0.00 173.24 174.93 2pa5 h PRO 325 N 0.47 0.71 0.00 4.02 0.11 -1.91 -1.18 132.00 134.22 2pa5 h PRO 325 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pa5 h PRO 325 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2pa5 h PRO 325 CO 0.61 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 179.28 2pa5 n GLY 326 N -1.33 -1.54 0.55 -0.55 0.00 -1.26 -3.44 105.19 97.61 2pa5 n GLY 326 Ca 0.21 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.94 2.10 -0.18 1.61 3.02 -0.46 -4.65 115.26 114.76 2pa5 n ASN 327 Ca 0.06 -1.55 -0.00 0.00 -0.03 0.00 0.00 54.58 53.05 2pa5 n ASN 327 Cb 0.36 0.09 0.24 0.00 -0.61 0.00 0.00 39.78 39.86 2pa5 n ASN 327 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2pa5 h LEU 328 N 2.67 0.81 0.00 3.41 3.38 -1.54 -0.33 115.31 123.72 2pa5 h LEU 328 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2pa5 h LEU 328 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pa5 h LEU 328 CO 0.00 0.64 0.00 -0.62 0.09 0.00 0.00 178.44 178.55 2pa5 n GLU 329 N -4.38 0.52 0.00 1.13 4.71 -1.26 -2.77 120.64 118.59 2pa5 n GLU 329 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.34 2pa5 n GLU 329 Cb 0.09 -1.50 0.32 0.00 -1.01 0.00 0.00 31.44 29.34 2pa5 n GLU 329 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2pa5 n LYS 330 N -1.24 0.56 -3.78 3.49 5.02 -0.14 -4.84 118.16 117.24 2pa5 n LYS 330 Ca 0.16 -0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 55.76 2pa5 n LYS 330 Cb 0.22 -1.49 -0.08 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 -2.67 6.23 0.25 4.39 0.01 -1.11 -4.59 114.94 117.45 2pa5 s ASN 331 Ca 0.20 0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.69 2pa5 s ASN 331 Cb 0.19 -2.08 0.30 0.00 0.41 0.00 0.00 41.25 40.07 2pa5 s ASN 331 CO 0.59 0.24 1.59 -0.09 -1.51 0.00 0.00 177.10 177.91 2pa5 h ARG 332 N 6.25 0.20 -3.98 -0.60 2.43 -1.88 -3.44 114.38 113.36 2pa5 h ARG 332 Ca -0.44 -0.13 -0.38 0.00 -0.81 0.00 0.00 59.98 58.22 2pa5 h ARG 332 Cb 1.17 0.02 -0.33 0.00 -0.42 0.00 0.00 29.97 30.41 2pa5 h ARG 332 CO 0.71 0.72 -0.76 0.71 -1.51 0.00 0.00 179.97 179.84 2pa5 s TYR 333 N -3.79 0.58 -0.05 2.20 2.02 -1.26 -5.03 117.35 112.02 2pa5 s TYR 333 Ca -0.04 -0.13 0.30 0.00 -0.37 0.00 0.00 57.07 56.83 2pa5 s TYR 333 Cb 0.12 -0.54 1.40 0.00 -0.40 0.00 0.00 41.96 42.55 2pa5 s TYR 333 CO 0.79 -0.14 1.89 0.78 -1.57 0.00 0.00 175.55 177.30 2pa5 h GLY 334 N 7.03 0.00 -0.34 0.71 0.00 -1.95 -2.67 103.07 105.85 2pa5 h GLY 334 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2pa5 h GLY 334 CO 0.48 0.00 -0.14 2.09 0.00 0.00 0.00 176.54 178.97 2pa5 n ASP 335 N -2.61 1.47 -3.39 0.19 5.75 -1.26 -4.49 116.55 112.21 2pa5 n ASP 335 Ca -0.00 -1.29 -0.26 0.00 -0.01 0.00 0.00 54.79 53.22 2pa5 n ASP 335 Cb 0.17 0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.08 1.14 -1.33 2.12 0.31 -1.01 -5.09 118.33 114.39 2pa5 n VAL 336 Ca 0.15 -4.71 -0.29 0.00 -0.01 0.00 0.00 64.34 59.47 2pa5 n VAL 336 Cb 0.38 -2.04 0.20 0.00 -0.91 0.00 0.00 33.84 31.47 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 -1.84 -0.18 0.07 5.55 0.04 -1.26 -4.81 135.00 132.56 2pa5 s PRO 337 Ca 0.37 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.50 2pa5 s PRO 337 Cb 0.13 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 2pa5 s PRO 337 CO -0.07 -3.04 -0.16 0.00 0.04 0.00 0.00 177.00 173.77 2pa5 s LEU 339 N -1.57 4.36 0.29 0.00 1.43 -1.26 -4.50 118.68 117.42 2pa5 s LEU 339 Ca 0.02 2.88 -0.03 0.00 -1.03 0.00 0.00 54.13 55.97 2pa5 s LEU 339 Cb -0.09 -3.64 0.41 0.00 0.03 0.00 0.00 46.19 42.90 2pa5 s LEU 339 CO 0.02 -0.83 1.95 0.44 0.23 0.00 0.00 176.35 178.16 2pa5 h ASP 340 N 4.46 1.00 1.02 2.29 3.32 -1.03 -2.55 116.42 124.93 2pa5 h ASP 340 Ca -0.48 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 2pa5 h ASP 340 Cb 1.22 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2pa5 h ASP 340 CO 0.75 0.71 -0.04 1.56 -1.72 0.00 0.00 179.24 180.50 2pa5 h GLN 341 N 1.17 0.00 0.00 3.56 7.50 -1.91 -3.21 115.11 122.22 2pa5 h GLN 341 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 2pa5 h GLN 341 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.46 2pa5 h GLN 341 CO -0.09 0.04 0.00 0.25 -1.50 0.00 0.00 178.83 177.53 2pa5 n THR 342 N -3.15 0.49 -2.35 -0.54 -2.24 -1.21 -5.08 114.28 100.20 2pa5 n THR 342 Ca 0.01 -0.52 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 2pa5 n THR 342 Cb 0.33 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.49 3.55 -0.38 -0.78 1.70 -0.96 -0.68 118.95 120.90 2pa5 s ARG 343 Ca 0.00 1.56 -0.28 0.00 -0.47 0.00 0.00 55.73 56.54 2pa5 s ARG 343 Cb 0.00 -2.10 0.02 0.00 -0.57 0.00 0.00 34.95 32.30 2pa5 s ARG 343 CO 0.00 -0.67 1.02 0.08 -1.08 0.00 0.00 175.30 174.65 2pa5 s VAL 344 N -1.80 4.46 0.13 4.99 1.01 -0.43 -4.80 120.40 123.96 2pa5 s VAL 344 Ca 0.70 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 2pa5 s VAL 344 Cb -0.22 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.65 2pa5 s VAL 344 CO 0.26 -0.65 0.63 -0.54 0.00 0.00 0.00 175.10 174.79 2pa5 s LYS 345 N 3.79 4.23 0.03 2.72 1.02 -1.26 -4.16 119.74 126.11 2pa5 s LYS 345 Ca 0.43 0.79 -0.02 0.00 0.02 0.00 0.00 55.97 57.18 2pa5 s LYS 345 Cb -0.11 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2pa5 s LYS 345 CO 0.21 0.56 0.22 -0.51 -0.92 0.00 0.00 175.35 174.91 2pa5 s LEU 346 N -1.41 4.36 0.88 3.17 1.43 -0.12 -5.04 118.68 121.94 2pa5 s LEU 346 Ca 0.34 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 2pa5 s LEU 346 Cb -0.19 -2.81 0.12 0.00 0.03 0.00 0.00 46.19 43.34 2pa5 s LEU 346 CO 0.21 0.21 1.13 0.42 0.23 0.00 0.00 176.35 178.54 2pa5 s THR 347 N -1.42 2.41 0.23 5.49 -4.23 -1.26 -4.56 115.64 112.30 2pa5 s THR 347 Ca 0.31 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.81 2pa5 s THR 347 Cb -0.13 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.43 2pa5 s THR 347 CO 0.23 -0.17 0.50 -1.59 -0.54 0.00 0.00 174.62 173.04 2pa5 s LYS 348 N -4.72 1.49 -0.01 3.99 -2.85 -1.26 -4.82 119.74 111.56 2pa5 s LYS 348 Ca 0.65 -1.11 0.07 0.00 -1.00 0.00 0.00 55.97 54.58 2pa5 s LYS 348 Cb -0.21 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 2pa5 s LYS 348 CO 0.57 -0.63 -0.22 1.03 0.10 0.00 0.00 175.35 176.20 2pa5 s ARG 349 N -3.96 1.77 0.70 1.78 0.52 -1.26 -5.12 118.95 113.38 2pa5 s ARG 349 Ca 0.17 -0.83 -0.15 0.00 -0.52 0.00 0.00 55.73 54.40 2pa5 s ARG 349 Cb -0.01 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.74 2pa5 s ARG 349 CO 0.05 0.47 1.17 -1.54 0.02 0.00 0.00 175.30 175.47 2pa5 s SER 350 N -0.64 4.55 -1.05 0.23 1.04 -1.26 -3.70 113.70 112.87 2pa5 s SER 350 Ca 0.09 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.72 2pa5 s SER 350 Cb -0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2pa5 s SER 350 CO -0.00 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 172.81 2pa5 n GLY 351 N 0.02 0.70 0.18 7.32 0.00 -1.26 -4.89 105.19 107.27 2pa5 n GLY 351 Ca 0.12 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.70 2pa5 n GLY 351 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pa5 n HIS 352 N -3.21 0.00 -4.10 1.61 -0.00 -1.24 -5.00 115.22 103.28 2pa5 n HIS 352 Ca -0.11 -0.66 -0.30 0.00 -0.00 0.00 0.00 57.72 56.64 2pa5 n HIS 352 Cb 0.45 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.29 2pa5 n HIS 352 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2pa5 n THR 353 N -0.94 -2.04 -4.26 1.59 -2.24 -1.26 -4.97 114.28 100.16 2pa5 n THR 353 Ca 0.10 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 2pa5 n THR 353 Cb 0.63 -2.09 -0.10 0.00 -2.10 0.00 0.00 70.33 66.67 2pa5 n THR 353 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pa5 s GLN 354 N -6.80 2.22 0.36 -0.78 -0.21 -1.26 -5.13 119.66 108.06 2pa5 s GLN 354 Ca 0.29 -0.97 0.09 0.00 0.02 0.00 0.00 55.36 54.79 2pa5 s GLN 354 Cb -0.16 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.44 2pa5 s GLN 354 CO 0.92 0.52 -0.01 0.95 -2.12 0.00 0.00 175.29 175.55 2pa5 s THR 355 N -1.19 2.35 -1.46 -0.19 -4.23 -1.26 -4.96 115.64 104.70 2pa5 s THR 355 Ca 0.21 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2pa5 s THR 355 Cb -0.11 -2.80 0.18 0.00 1.34 0.00 0.00 72.50 71.10 2pa5 s THR 355 CO 0.13 -0.14 0.98 -0.90 -0.54 0.00 0.00 174.62 174.15 2pa5 n ASP 356 N -0.93 1.50 -4.65 3.99 5.68 -1.26 -4.86 116.55 116.01 2pa5 n ASP 356 Ca -0.04 -2.10 -0.35 0.00 -0.50 0.00 0.00 54.79 51.80 2pa5 n ASP 356 Cb 0.64 -0.31 -0.10 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 -1.61 3.18 0.01 2.11 5.04 -1.26 -0.95 117.35 123.87 2pa5 s TYR 357 Ca 0.12 0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 2pa5 s TYR 357 Cb 0.08 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 2pa5 s TYR 357 CO 0.06 0.35 -0.04 -1.50 -1.34 0.00 0.00 175.55 173.08 2pa5 s ILE 358 N -0.48 0.30 -1.07 3.14 2.07 -1.26 -4.95 121.20 118.96 2pa5 s ILE 358 Ca 0.09 -0.48 -0.22 0.00 -1.41 0.00 0.00 60.65 58.63 2pa5 s ILE 358 Cb -0.12 -0.32 0.04 0.00 0.13 0.00 0.00 42.46 42.19 2pa5 s ILE 358 CO 0.02 -0.12 1.57 0.21 -1.91 0.00 0.00 174.94 174.71 2pa5 s ASN 359 N -0.65 6.37 -0.26 4.50 3.84 -1.26 -4.62 114.94 122.86 2pa5 s ASN 359 Ca -0.04 -1.56 -0.21 0.00 0.21 0.00 0.00 52.86 51.26 2pa5 s ASN 359 Cb -0.05 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.15 2pa5 s ASN 359 CO -0.00 -1.63 0.68 0.00 -2.79 0.00 0.00 177.10 173.36 2pa5 s ALA 360 N 5.58 -1.72 -0.03 1.71 0.00 -1.26 -3.22 121.76 122.81 2pa5 s ALA 360 Ca 0.51 2.06 0.05 0.00 0.00 0.00 0.00 51.96 54.59 2pa5 s ALA 360 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2pa5 s ALA 360 CO -0.05 -0.34 -0.20 -1.12 0.00 0.00 0.00 175.76 174.06 2pa5 s SER 361 N 0.78 2.39 0.31 0.00 0.01 -0.25 -1.32 113.70 115.62 2pa5 s SER 361 Ca -0.03 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2pa5 s SER 361 Cb -0.05 -0.49 -0.10 0.00 0.21 0.00 0.00 66.02 65.59 2pa5 s SER 361 CO -0.06 0.21 1.20 -0.36 0.41 0.00 0.00 173.24 174.64 2pa5 s PHE 362 N -0.21 3.30 -0.03 2.43 0.08 0.14 -1.29 117.98 122.41 2pa5 s PHE 362 Ca 0.01 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.63 2pa5 s PHE 362 Cb -0.10 -3.48 0.02 0.00 -0.57 0.00 0.00 43.02 38.90 2pa5 s PHE 362 CO 0.01 -1.20 -0.01 -1.64 -0.10 0.00 0.00 175.22 172.27 2pa5 s MET 363 N -1.65 0.45 0.67 0.44 -1.94 -0.24 -4.57 119.30 112.46 2pa5 s MET 363 Ca 0.47 0.02 -0.14 0.00 -1.71 0.00 0.00 55.69 54.33 2pa5 s MET 363 Cb -0.36 -0.57 0.01 0.00 2.01 0.00 0.00 34.83 35.92 2pa5 s MET 363 CO 0.47 -0.11 1.09 -0.51 -0.01 0.00 0.00 175.02 175.95 2pa5 s ASP 364 N 0.94 5.12 0.02 3.03 1.01 -1.26 -1.33 116.67 124.20 2pa5 s ASP 364 Ca -0.10 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.06 2pa5 s ASP 364 Cb -0.14 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2pa5 s ASP 364 CO -0.01 -1.62 0.00 0.61 0.21 0.00 0.00 175.17 174.36 2pa5 n GLY 365 N -0.84 3.88 3.64 0.21 0.00 0.42 -4.68 105.19 107.82 2pa5 n GLY 365 Ca 0.10 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.84 2.06 -1.54 1.61 5.04 -1.26 -2.52 117.35 119.91 2pa5 s TYR 366 Ca 0.00 0.44 -0.16 0.00 -2.44 0.00 0.00 57.07 54.91 2pa5 s TYR 366 Cb -0.00 -3.93 0.13 0.00 0.35 0.00 0.00 41.96 38.51 2pa5 s TYR 366 CO 0.00 -3.25 0.69 1.63 -1.34 0.00 0.00 175.55 173.28 2pa5 n LYS 367 N 7.45 -3.25 -3.55 4.97 5.02 -0.31 -4.95 118.16 123.54 2pa5 n LYS 367 Ca 0.18 0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 56.77 2pa5 n LYS 367 Cb 0.44 -5.12 -0.09 0.00 -0.02 0.00 0.00 35.03 30.24 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 -6.63 0.31 0.29 1.97 0.74 -1.05 -4.89 119.66 110.40 2pa5 s GLN 368 Ca 0.64 0.82 -0.29 0.00 0.05 0.00 0.00 55.36 56.58 2pa5 s GLN 368 Cb -0.35 -0.00 -0.10 0.00 1.10 0.00 0.00 33.01 33.66 2pa5 s GLN 368 CO 0.78 -0.39 1.29 0.21 -0.55 0.00 0.00 175.29 176.63 2pa5 s LYS 369 N 2.56 4.40 -1.34 1.67 2.36 -1.26 -0.44 119.74 127.69 2pa5 s LYS 369 Ca 0.04 2.13 -0.04 0.00 -2.55 0.00 0.00 55.97 55.55 2pa5 s LYS 369 Cb -0.13 -3.12 0.02 0.00 -1.05 0.00 0.00 37.83 33.55 2pa5 s LYS 369 CO -0.13 -0.16 0.84 0.09 1.55 0.00 0.00 175.35 177.53 2pa5 n ASN 370 N 1.38 -2.43 0.18 1.43 3.02 -1.24 -4.82 115.26 112.77 2pa5 n ASN 370 Ca 0.02 -0.76 0.04 0.00 -0.03 0.00 0.00 54.58 53.84 2pa5 n ASN 370 Cb 0.42 -4.25 0.30 0.00 -0.61 0.00 0.00 39.78 35.65 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 0.90 1.01 -2.53 5.41 0.00 -1.31 -3.31 119.26 119.43 2pa5 h ALA 371 Ca -0.60 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 53.68 2pa5 h ALA 371 Cb 1.36 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.91 2pa5 h ALA 371 CO 0.58 0.54 -0.71 0.71 0.00 0.00 0.00 179.25 180.36 2pa5 s TYR 372 N -3.64 0.82 -0.21 0.00 2.02 -0.65 -1.51 117.35 114.19 2pa5 s TYR 372 Ca -0.00 -0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 55.91 2pa5 s TYR 372 Cb 0.11 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 41.21 2pa5 s TYR 372 CO 0.70 -0.13 -0.13 0.42 -1.57 0.00 0.00 175.55 174.85 2pa5 s ILE 373 N -2.93 2.52 -0.19 2.71 1.01 -0.28 -1.07 121.20 122.98 2pa5 s ILE 373 Ca 0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 2pa5 s ILE 373 Cb 0.01 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2pa5 s ILE 373 CO -0.03 0.38 0.33 -0.83 0.00 0.00 0.00 174.94 174.78 2pa5 s GLY 374 N 1.32 2.13 0.18 6.18 0.00 -0.41 -0.38 107.32 116.34 2pa5 s GLY 374 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 2pa5 s GLY 374 CO -0.08 0.61 0.23 -1.08 0.00 0.00 0.00 173.10 172.78 2pa5 s THR 375 N 0.92 0.05 0.75 0.90 -1.32 -0.57 -1.09 115.64 115.29 2pa5 s THR 375 Ca 0.17 -1.63 -0.12 0.00 -1.21 0.00 0.00 61.69 58.90 2pa5 s THR 375 Cb -0.14 -2.08 0.04 0.00 -1.51 0.00 0.00 72.50 68.82 2pa5 s THR 375 CO 0.06 -0.23 1.13 0.00 -2.21 0.00 0.00 174.62 173.37 2pa5 s GLN 376 N -4.03 2.47 -0.04 7.08 -2.07 -1.20 -3.02 119.66 118.85 2pa5 s GLN 376 Ca 0.24 0.33 -0.30 0.00 -1.82 0.00 0.00 55.36 53.81 2pa5 s GLN 376 Cb 0.04 -1.99 -0.06 0.00 -1.09 0.00 0.00 33.01 29.92 2pa5 s GLN 376 CO 0.04 -1.28 1.61 0.20 -1.32 0.00 0.00 175.29 174.54 2pa5 s GLY 377 N -4.43 1.57 0.39 2.60 0.00 0.13 -4.76 107.32 102.82 2pa5 s GLY 377 Ca 0.60 0.93 -0.26 0.00 0.00 0.00 0.00 44.72 45.99 2pa5 s GLY 377 CO 0.51 2.95 1.08 -1.05 0.00 0.00 0.00 173.10 176.60 2pa5 n PRO 378 N 6.82 1.54 -3.71 2.90 -0.02 -1.26 -4.65 135.00 136.61 2pa5 n PRO 378 Ca 0.17 0.55 -0.28 0.00 -2.02 0.00 0.00 63.50 61.91 2pa5 n PRO 378 Cb 0.43 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.60 4.25 0.29 2.45 1.43 -1.26 -1.24 118.68 124.00 2pa5 s LEU 379 Ca 0.61 0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2pa5 s LEU 379 Cb -0.57 -3.18 0.67 0.00 0.03 0.00 0.00 46.19 43.14 2pa5 s LEU 379 CO 0.58 -0.01 1.58 -0.33 0.23 0.00 0.00 176.35 178.41 2pa5 h GLU 380 N 2.25 0.02 0.00 1.70 5.08 -1.96 0.48 114.58 122.15 2pa5 h GLU 380 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2pa5 h GLU 380 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2pa5 h GLU 380 CO 0.70 0.02 0.00 0.27 -1.00 0.00 0.00 179.01 178.99 2pa5 n ASN 381 N -5.48 0.00 0.00 1.42 6.94 -1.26 -3.35 115.26 113.52 2pa5 n ASN 381 Ca 0.21 -0.72 0.00 0.00 -0.02 0.00 0.00 54.58 54.05 2pa5 n ASN 381 Cb 0.68 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 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 0.64 -0.17 5.53 -2.24 0.15 -4.78 114.28 112.34 2pa5 n THR 382 Ca 0.20 -0.72 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 2pa5 n THR 382 Cb 0.15 0.72 0.08 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.00 0.15 -0.83 4.78 0.05 -1.14 -0.64 116.97 119.34 2pa5 h TYR 383 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2pa5 h TYR 383 Cb 0.51 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 2pa5 h TYR 383 CO 0.00 -0.02 0.50 -0.09 -1.05 0.00 0.00 178.16 177.50 2pa5 h ARG 384 N 0.23 1.13 -0.71 4.88 1.12 -1.86 -1.45 114.38 117.72 2pa5 h ARG 384 Ca 0.26 -0.10 -0.06 0.00 -1.11 0.00 0.00 59.98 58.97 2pa5 h ARG 384 Cb 0.37 -0.24 -0.03 0.00 -0.01 0.00 0.00 29.97 30.06 2pa5 h ARG 384 CO -0.35 0.80 0.21 -0.44 -3.11 0.00 0.00 179.97 177.08 2pa5 h ASP 385 N 1.14 1.03 0.08 -3.80 3.32 -1.66 -0.34 116.42 116.18 2pa5 h ASP 385 Ca 0.30 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pa5 h ASP 385 Cb -0.04 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.24 2pa5 h ASP 385 CO -0.06 0.96 -0.04 0.15 -1.72 0.00 0.00 179.24 178.53 2pa5 h PHE 386 N 1.05 -0.10 -0.27 4.55 3.57 -0.66 -0.82 116.94 124.26 2pa5 h PHE 386 Ca 0.23 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 2pa5 h PHE 386 Cb 0.30 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2pa5 h PHE 386 CO 0.02 0.07 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.40 2pa5 h TRP 387 N -0.25 0.62 -0.61 0.41 4.06 -1.18 -0.06 115.95 118.94 2pa5 h TRP 387 Ca -0.01 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 60.81 2pa5 h TRP 387 Cb 0.21 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 2pa5 h TRP 387 CO -0.03 0.77 0.40 1.25 -3.56 0.00 0.00 178.44 177.27 2pa5 h LEU 388 N 0.47 0.68 -0.09 -4.49 5.85 -0.91 -0.70 115.31 116.13 2pa5 h LEU 388 Ca 0.06 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2pa5 h LEU 388 Cb 0.73 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2pa5 h LEU 388 CO 0.06 0.49 -0.11 -0.03 -0.34 0.00 0.00 178.44 178.50 2pa5 h MET 389 N 0.80 -0.15 -0.60 1.25 4.05 -0.63 0.50 114.93 120.16 2pa5 h MET 389 Ca 0.23 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.76 2pa5 h MET 389 Cb -0.07 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 30.69 2pa5 h MET 389 CO -0.06 -0.10 0.20 0.28 0.23 0.00 0.00 176.91 177.46 2pa5 h VAL 390 N -0.15 0.74 0.26 -5.77 2.07 -0.69 -0.19 116.25 112.51 2pa5 h VAL 390 Ca 0.07 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2pa5 h VAL 390 Cb 0.25 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2pa5 h VAL 390 CO -0.18 0.07 -0.13 -0.25 0.02 0.00 0.00 177.57 177.10 2pa5 h TRP 391 N 0.36 -0.33 -0.07 1.57 2.91 -0.80 -1.88 115.95 117.71 2pa5 h TRP 391 Ca 0.31 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.26 2pa5 h TRP 391 Cb 0.40 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 2pa5 h TRP 391 CO -0.19 -0.02 -0.24 0.93 -1.03 0.00 0.00 178.44 177.89 2pa5 h GLU 392 N -0.64 0.12 -0.16 2.65 5.08 -0.69 -2.16 114.58 118.79 2pa5 h GLU 392 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2pa5 h GLU 392 Cb 0.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2pa5 h GLU 392 CO 0.06 0.36 0.00 1.04 -1.00 0.00 0.00 179.01 179.47 2pa5 n GLN 393 N -4.21 1.87 -2.91 2.33 1.13 -0.10 -4.94 117.38 110.55 2pa5 n GLN 393 Ca -0.01 -1.30 -0.21 0.00 -1.94 0.00 0.00 57.00 53.53 2pa5 n GLN 393 Cb 0.32 -1.43 0.03 0.00 0.11 0.00 0.00 30.24 29.27 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 0.54 -4.29 -2.19 -1.09 5.02 -0.81 -4.51 118.16 110.83 2pa5 n LYS 394 Ca 0.17 0.86 -0.41 0.00 -2.02 0.00 0.00 58.31 56.91 2pa5 n LYS 394 Cb 0.39 -5.57 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.12 3.08 -0.08 -0.18 1.01 -0.74 -4.72 120.40 115.64 2pa5 s VAL 395 Ca 0.26 0.92 0.12 0.00 0.00 0.00 0.00 61.98 63.28 2pa5 s VAL 395 Cb -0.11 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 2pa5 s VAL 395 CO 0.32 0.16 0.15 0.18 0.00 0.00 0.00 175.10 175.90 2pa5 n LEU 396 N 2.24 0.00 -3.92 3.92 4.77 -1.26 -4.87 117.00 117.89 2pa5 n LEU 396 Ca 0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 2pa5 n LEU 396 Cb 0.42 0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.55 2pa5 n LEU 396 CO 0.58 0.19 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.73 2pa5 s VAL 397 N -2.56 0.53 -0.09 4.08 1.01 -1.26 -0.93 120.40 121.18 2pa5 s VAL 397 Ca -0.06 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2pa5 s VAL 397 Cb 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2pa5 s VAL 397 CO 0.54 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 175.02 2pa5 s ILE 398 N 0.62 2.55 -0.22 2.22 1.01 -0.06 -1.97 121.20 125.35 2pa5 s ILE 398 Ca -0.08 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.71 2pa5 s ILE 398 Cb -0.11 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.38 2pa5 s ILE 398 CO 0.00 0.56 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 2pa5 s VAL 399 N 0.03 2.37 -0.19 2.92 1.01 0.12 -0.65 120.40 126.01 2pa5 s VAL 399 Ca -0.07 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 2pa5 s VAL 399 Cb -0.15 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2pa5 s VAL 399 CO 0.05 0.29 0.01 -0.32 0.00 0.00 0.00 175.10 175.13 2pa5 s MET 400 N 1.26 3.69 -0.20 2.72 0.00 0.85 -0.88 119.30 126.73 2pa5 s MET 400 Ca -0.00 -0.49 0.16 0.00 0.00 0.00 0.00 55.69 55.36 2pa5 s MET 400 Cb -0.16 -3.08 0.52 0.00 0.00 0.00 0.00 34.83 32.10 2pa5 s MET 400 CO -0.08 0.09 1.42 0.25 0.00 0.00 0.00 175.02 176.70 2pa5 n THR 401 N 4.03 2.32 -4.15 10.11 -2.24 -0.53 -0.68 114.28 123.14 2pa5 n THR 401 Ca -0.17 -2.03 -0.10 0.00 -2.27 0.00 0.00 64.05 59.48 2pa5 n THR 401 Cb 0.52 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.90 0.06 0.68 4.28 -4.23 -1.26 -4.83 115.64 107.44 2pa5 s THR 402 Ca 0.42 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2pa5 s THR 402 Cb 0.35 -2.20 0.14 0.00 1.34 0.00 0.00 72.50 72.13 2pa5 s THR 402 CO 0.07 -0.27 0.93 0.54 -0.54 0.00 0.00 174.62 175.36 2pa5 n ARG 403 N -0.18 -0.29 0.00 3.99 1.74 -1.26 -4.77 116.66 115.90 2pa5 n ARG 403 Ca -0.03 -2.19 -0.14 0.00 -0.77 0.00 0.00 57.85 54.72 2pa5 n ARG 403 Cb 0.64 -0.72 -0.02 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.85 0.84 -3.80 -1.55 0.04 -1.95 -3.38 116.94 106.29 2pa5 h PHE 404 Ca -0.31 -0.36 -0.28 0.00 2.80 0.00 0.00 57.97 59.82 2pa5 h PHE 404 Cb 1.04 -0.13 -0.29 0.00 2.20 0.00 0.00 35.95 38.77 2pa5 h PHE 404 CO 0.00 1.15 -0.74 -2.00 -0.60 0.00 0.00 178.31 176.13 2pa5 s GLU 405 N -3.75 0.22 -0.00 1.51 2.12 -1.26 -0.01 118.70 117.52 2pa5 s GLU 405 Ca -0.08 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.17 2pa5 s GLU 405 Cb 0.10 -0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.26 2pa5 s GLU 405 CO 0.87 0.05 -0.01 -1.21 -0.54 0.00 0.00 175.26 174.42 2pa5 s GLU 406 N 0.00 0.11 -1.87 4.30 2.02 -0.29 -4.86 118.70 118.12 2pa5 s GLU 406 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2pa5 s GLU 406 Cb -0.02 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.07 2pa5 s GLU 406 CO -0.00 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2pa5 n GLY 407 N 3.20 0.98 2.06 -1.39 0.00 -1.26 -1.12 105.19 107.66 2pa5 n GLY 407 Ca -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.79 0.67 3.35 -0.02 0.00 -1.26 -5.04 105.19 102.09 2pa5 n GLY 408 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.10 3.04 0.19 1.61 1.81 -0.27 -5.11 118.95 120.12 2pa5 s ARG 409 Ca 0.00 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 2pa5 s ARG 409 Cb 0.00 -2.45 -0.09 0.00 -0.45 0.00 0.00 34.95 31.96 2pa5 s ARG 409 CO 0.00 0.31 1.38 0.50 -0.68 0.00 0.00 175.30 176.81 2pa5 s ARG 410 N 0.07 4.33 0.00 3.54 6.06 -1.26 -1.13 118.95 130.55 2pa5 s ARG 410 Ca -0.07 2.15 0.00 0.00 -2.50 0.00 0.00 55.73 55.31 2pa5 s ARG 410 Cb -0.15 -3.18 0.00 0.00 0.06 0.00 0.00 34.95 31.68 2pa5 s ARG 410 CO 0.05 -0.37 0.00 1.63 -2.50 0.00 0.00 175.30 174.11 2pa5 n LYS 411 N 2.97 1.84 -3.57 5.12 4.76 0.98 -4.93 118.16 125.33 2pa5 n LYS 411 Ca 0.08 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 2pa5 n LYS 411 Cb 0.42 -0.99 -0.05 0.00 -1.84 0.00 0.00 35.03 32.56 2pa5 n LYS 411 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pa5 s GLY 413 N -1.00 1.51 -1.18 0.00 0.00 -0.37 -4.57 107.32 101.71 2pa5 s GLY 413 Ca -0.03 -0.54 -0.18 0.00 0.00 0.00 0.00 44.72 43.97 2pa5 s GLY 413 CO 0.02 -0.36 1.55 1.20 0.00 0.00 0.00 173.10 175.52 2pa5 s GLN 414 N -4.77 3.87 0.00 2.90 -0.21 -1.26 -4.78 119.66 115.41 2pa5 s GLN 414 Ca 0.48 -1.88 0.27 0.00 0.02 0.00 0.00 55.36 54.25 2pa5 s GLN 414 Cb -0.10 -5.34 0.85 0.00 1.00 0.00 0.00 33.01 29.42 2pa5 s GLN 414 CO 0.45 -2.10 1.63 2.48 -2.12 0.00 0.00 175.29 175.63 2pa5 n TYR 415 N 7.79 0.00 -4.18 0.91 0.18 -1.26 -4.88 117.16 115.72 2pa5 n TYR 415 Ca 0.40 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 60.01 2pa5 n TYR 415 Cb 0.47 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 39.28 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 -2.14 1.21 -0.02 -3.48 -2.14 -1.26 -5.05 118.94 106.06 2pa5 s TRP 416 Ca 0.33 -0.52 -0.30 0.00 2.66 0.00 0.00 56.10 58.27 2pa5 s TRP 416 Cb 0.20 -0.66 -0.06 0.00 -3.10 0.00 0.00 33.47 29.85 2pa5 s TRP 416 CO 0.38 0.06 1.62 -1.25 -2.66 0.00 0.00 176.95 175.11 2pa5 s PRO 417 N -2.17 4.20 0.03 3.25 0.04 -1.26 -4.91 135.00 134.17 2pa5 s PRO 417 Ca 0.02 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 2pa5 s PRO 417 Cb -0.07 -3.86 -0.29 0.00 0.04 0.00 0.00 34.50 30.32 2pa5 s PRO 417 CO 0.02 -0.79 0.95 -0.07 0.04 0.00 0.00 177.00 177.15 2pa5 h LEU 418 N 9.66 0.49 -9.73 -3.56 3.38 -1.97 -3.43 115.31 110.15 2pa5 h LEU 418 Ca -0.40 -0.61 -0.63 0.00 0.09 0.00 0.00 57.88 56.34 2pa5 h LEU 418 Cb 1.18 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 2pa5 h LEU 418 CO 0.94 1.49 -0.36 -1.61 0.09 0.00 0.00 178.44 178.99 2pa5 s GLU 419 N -2.62 3.62 0.27 1.13 8.01 -1.26 -4.98 118.70 122.86 2pa5 s GLU 419 Ca -0.08 0.02 -0.30 0.00 0.01 0.00 0.00 54.97 54.62 2pa5 s GLU 419 Cb 0.06 -3.13 -0.14 0.00 -4.31 0.00 0.00 34.13 26.62 2pa5 s GLU 419 CO 0.88 0.68 1.22 1.17 0.01 0.00 0.00 175.26 179.22 2pa5 n LYS 420 N 1.44 1.70 0.00 1.61 4.81 -1.26 -1.64 118.16 124.82 2pa5 n LYS 420 Ca -0.14 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2pa5 n LYS 420 Cb 0.53 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 1.55 0.00 -4.82 3.14 8.00 0.16 -4.99 116.55 119.60 2pa5 n ASP 421 Ca 0.10 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.29 2pa5 n ASP 421 Cb 0.31 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 2pa5 n ASP 421 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pa5 s SER 422 N -3.15 5.28 -0.03 -2.24 1.04 -0.65 -4.75 113.70 109.20 2pa5 s SER 422 Ca 0.00 1.62 -0.06 0.00 0.48 0.00 0.00 55.95 57.99 2pa5 s SER 422 Cb 0.00 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.65 2pa5 s SER 422 CO 0.00 -1.51 0.14 -0.13 0.98 0.00 0.00 173.24 172.72 2pa5 s ARG 423 N -5.04 0.32 0.05 4.02 0.52 -1.26 -1.09 118.95 116.47 2pa5 s ARG 423 Ca 0.58 -0.11 0.04 0.00 -0.52 0.00 0.00 55.73 55.72 2pa5 s ARG 423 Cb -0.14 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 2pa5 s ARG 423 CO 0.55 -0.07 -0.12 0.42 0.02 0.00 0.00 175.30 176.11 2pa5 s ILE 424 N -0.67 0.89 -0.05 1.52 -1.09 -0.10 -4.97 121.20 116.73 2pa5 s ILE 424 Ca -0.08 -1.06 0.06 0.00 -2.23 0.00 0.00 60.65 57.34 2pa5 s ILE 424 Cb -0.04 -0.86 -0.01 0.00 -1.58 0.00 0.00 42.46 39.96 2pa5 s ILE 424 CO 0.01 -0.17 -0.24 -0.60 -1.23 0.00 0.00 174.94 172.70 2pa5 s ARG 425 N -1.39 2.52 -0.37 2.79 3.52 -1.26 -0.32 118.95 124.44 2pa5 s ARG 425 Ca -0.03 -0.89 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 2pa5 s ARG 425 Cb -0.09 -2.17 0.11 0.00 -1.56 0.00 0.00 34.95 31.24 2pa5 s ARG 425 CO 0.01 0.41 0.11 -0.06 -0.81 0.00 0.00 175.30 174.96 2pa5 s PHE 426 N -0.23 3.10 0.00 5.12 0.08 0.21 -5.00 117.98 121.26 2pa5 s PHE 426 Ca -0.01 -2.73 0.00 0.00 0.12 0.00 0.00 56.93 54.30 2pa5 s PHE 426 Cb -0.13 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 2pa5 s PHE 426 CO 0.03 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.68 2pa5 n GLY 427 N 4.11 2.55 0.46 4.36 0.00 -1.26 -1.03 105.19 114.38 2pa5 n GLY 427 Ca 0.03 0.35 0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 8.11 0.34 -4.22 1.61 -1.74 -1.26 -4.75 117.46 115.54 2pa5 n PHE 428 Ca 0.00 -0.16 -0.34 0.00 -0.56 0.00 0.00 57.45 56.39 2pa5 n PHE 428 Cb 0.00 -0.01 -0.15 0.00 1.52 0.00 0.00 39.48 40.84 2pa5 n PHE 428 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2pa5 s LEU 429 N -1.00 2.49 -0.12 5.98 1.43 -0.20 -0.91 118.68 126.36 2pa5 s LEU 429 Ca 0.16 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2pa5 s LEU 429 Cb 0.09 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 2pa5 s LEU 429 CO 0.11 0.03 -0.16 -0.89 0.23 0.00 0.00 176.35 175.67 2pa5 s THR 430 N 1.16 2.79 -0.16 5.49 2.01 -0.26 0.65 115.64 127.31 2pa5 s THR 430 Ca 0.01 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 2pa5 s THR 430 Cb -0.14 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 2pa5 s THR 430 CO -0.05 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.59 2pa5 s VAL 431 N 0.28 2.83 -0.04 3.82 1.01 0.56 -0.65 120.40 128.21 2pa5 s VAL 431 Ca -0.12 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2pa5 s VAL 431 Cb -0.16 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2pa5 s VAL 431 CO 0.06 0.51 -0.22 -0.89 0.00 0.00 0.00 175.10 174.55 2pa5 s THR 432 N 0.82 1.82 -0.34 3.92 2.01 -0.23 -0.92 115.64 122.72 2pa5 s THR 432 Ca -0.05 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.74 2pa5 s THR 432 Cb -0.15 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.84 2pa5 s THR 432 CO 0.00 0.51 0.94 0.21 -0.69 0.00 0.00 174.62 175.59 2pa5 s ASN 433 N -0.26 6.75 0.00 3.53 3.84 -0.25 -0.90 114.94 127.65 2pa5 s ASN 433 Ca 0.01 0.74 0.23 0.00 0.21 0.00 0.00 52.86 54.05 2pa5 s ASN 433 Cb -0.11 -2.47 0.18 0.00 -0.55 0.00 0.00 41.25 38.29 2pa5 s ASN 433 CO 0.02 -0.80 1.19 0.18 -2.79 0.00 0.00 177.10 174.89 2pa5 n LEU 434 N 6.66 0.99 0.00 3.21 4.77 0.16 0.39 117.00 133.18 2pa5 n LEU 434 Ca 0.08 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2pa5 n LEU 434 Cb 0.48 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2pa5 n LEU 434 CO 0.56 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2pa5 n GLY 435 N 1.47 3.53 3.07 -0.72 0.00 -1.21 -4.85 105.19 106.48 2pa5 n GLY 435 Ca 0.06 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.00 1.27 -0.17 1.61 1.01 -1.26 -0.73 120.40 120.13 2pa5 s VAL 436 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2pa5 s VAL 436 Cb 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 2pa5 s VAL 436 CO 0.00 0.38 -0.12 -1.61 0.00 0.00 0.00 175.10 173.75 2pa5 s GLU 437 N 0.38 3.28 -0.48 2.72 2.02 0.82 -4.97 118.70 122.47 2pa5 s GLU 437 Ca -0.10 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.03 2pa5 s GLU 437 Cb -0.14 -2.72 0.08 0.00 0.10 0.00 0.00 34.13 31.45 2pa5 s GLU 437 CO 0.03 -0.01 0.42 -0.80 0.02 0.00 0.00 175.26 174.92 2pa5 s ASN 438 N 0.91 6.16 0.64 -0.19 0.02 -1.26 -0.64 114.94 120.58 2pa5 s ASN 438 Ca -0.03 -1.38 0.02 0.00 -1.02 0.00 0.00 52.86 50.45 2pa5 s ASN 438 Cb -0.15 -2.19 0.11 0.00 0.02 0.00 0.00 41.25 39.04 2pa5 s ASN 438 CO -0.01 -0.68 0.82 0.23 0.02 0.00 0.00 177.10 177.48 2pa5 n MET 439 N 5.23 0.17 -0.04 -0.60 2.81 0.02 -5.02 117.12 119.70 2pa5 n MET 439 Ca -0.13 -2.46 -0.12 0.00 -1.81 0.00 0.00 57.70 53.18 2pa5 n MET 439 Cb 0.43 -0.48 -0.07 0.00 -0.71 0.00 0.00 33.22 32.39 2pa5 n MET 439 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2pa5 h ASN 440 N -0.35 0.20 -0.01 7.83 7.08 -2.02 -3.32 115.58 124.98 2pa5 h ASN 440 Ca -0.27 -0.37 0.00 0.00 -3.08 0.00 0.00 56.30 52.58 2pa5 h ASN 440 Cb 1.07 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.25 2pa5 h ASN 440 CO 0.32 0.52 -0.05 0.00 -2.08 0.00 0.00 177.43 176.14 2pa5 n HIS 441 N -4.77 0.00 -3.65 4.14 1.44 -1.26 -4.98 115.22 106.15 2pa5 n HIS 441 Ca -0.06 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.54 2pa5 n HIS 441 Cb 0.24 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.94 -0.22 -0.06 -1.40 1.13 -1.25 -0.51 117.35 114.10 2pa5 s TYR 442 Ca 0.11 -0.09 0.06 0.00 -1.41 0.00 0.00 57.07 55.73 2pa5 s TYR 442 Cb 0.08 0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 2pa5 s TYR 442 CO 0.15 -0.84 -0.24 0.15 -2.51 0.00 0.00 175.55 172.25 2pa5 s LYS 443 N -3.83 2.56 -0.26 -3.49 1.02 -0.24 -0.80 119.74 114.70 2pa5 s LYS 443 Ca 0.06 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 2pa5 s LYS 443 Cb -0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2pa5 s LYS 443 CO -0.07 0.34 0.02 0.21 -0.92 0.00 0.00 175.35 174.93 2pa5 s LYS 444 N -0.07 3.17 -0.16 1.68 2.20 0.19 -1.19 119.74 125.57 2pa5 s LYS 444 Ca -0.06 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2pa5 s LYS 444 Cb -0.14 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2pa5 s LYS 444 CO 0.04 -0.35 -0.11 0.99 -0.36 0.00 0.00 175.35 175.57 2pa5 s THR 445 N 1.47 3.12 -0.16 3.43 2.01 0.91 -0.13 115.64 126.30 2pa5 s THR 445 Ca 0.03 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 2pa5 s THR 445 Cb -0.16 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2pa5 s THR 445 CO -0.00 0.50 0.46 -0.89 -0.69 0.00 0.00 174.62 173.99 2pa5 s THR 446 N 0.70 5.18 0.08 -0.82 2.01 0.09 -0.35 115.64 122.52 2pa5 s THR 446 Ca -0.05 0.87 0.09 0.00 0.31 0.00 0.00 61.69 62.91 2pa5 s THR 446 Cb -0.15 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2pa5 s THR 446 CO 0.02 0.27 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.21 2pa5 s LEU 447 N 1.07 2.23 -0.15 4.42 1.43 0.60 0.39 118.68 128.68 2pa5 s LEU 447 Ca 0.23 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2pa5 s LEU 447 Cb -0.15 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2pa5 s LEU 447 CO 0.09 0.19 -0.04 -0.70 0.23 0.00 0.00 176.35 176.12 2pa5 s GLU 448 N -1.53 3.62 -0.18 1.70 2.12 -0.07 -0.05 118.70 124.29 2pa5 s GLU 448 Ca 0.11 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2pa5 s GLU 448 Cb -0.10 -2.88 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 2pa5 s GLU 448 CO 0.03 0.26 -0.04 0.42 -0.54 0.00 0.00 175.26 175.39 2pa5 s ILE 449 N 0.30 3.65 -0.27 -3.70 1.01 -0.12 -1.06 121.20 121.01 2pa5 s ILE 449 Ca -0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2pa5 s ILE 449 Cb -0.14 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.74 2pa5 s ILE 449 CO 0.03 0.46 -0.04 -2.28 0.00 0.00 0.00 174.94 173.11 2pa5 s HIS 450 N 0.85 3.16 -0.50 3.97 2.46 0.18 -1.14 115.29 124.27 2pa5 s HIS 450 Ca -0.01 -1.74 -0.23 0.00 0.47 0.00 0.00 55.06 53.55 2pa5 s HIS 450 Cb -0.15 -2.07 0.04 0.00 -0.13 0.00 0.00 32.58 30.27 2pa5 s HIS 450 CO 0.02 -0.77 0.82 1.21 -2.47 0.00 0.00 174.74 173.54 2pa5 s ASN 451 N 1.28 6.34 0.00 9.88 3.84 -0.01 -1.10 114.94 135.17 2pa5 s ASN 451 Ca -0.03 -0.36 0.27 0.00 0.21 0.00 0.00 52.86 52.95 2pa5 s ASN 451 Cb -0.18 -2.39 0.98 0.00 -0.55 0.00 0.00 41.25 39.11 2pa5 s ASN 451 CO -0.03 -1.04 1.70 0.35 -2.79 0.00 0.00 177.10 175.29 2pa5 n THR 452 N 6.06 0.02 -0.06 -5.21 -2.24 -0.09 -0.35 114.28 112.42 2pa5 n THR 452 Ca 0.00 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 2pa5 n THR 452 Cb 0.47 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 2pa5 n THR 452 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2pa5 h GLU 453 N 2.48 0.00 0.00 -0.78 3.07 -1.92 -3.38 114.58 114.05 2pa5 h GLU 453 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pa5 h GLU 453 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2pa5 h GLU 453 CO 0.00 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.54 2pa5 h GLU 454 N -0.91 0.00 -5.51 2.33 5.08 -1.92 -3.46 114.58 110.19 2pa5 h GLU 454 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 2pa5 h GLU 454 Cb 0.34 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.75 2pa5 h GLU 454 CO 0.00 0.00 -0.74 0.54 -1.00 0.00 0.00 179.01 177.81 2pa5 n ARG 455 N -2.72 -6.31 -4.10 2.33 3.00 0.53 -5.03 116.66 104.35 2pa5 n ARG 455 Ca -0.00 0.82 -0.13 0.00 -0.01 0.00 0.00 57.85 58.53 2pa5 n ARG 455 Cb 0.18 -5.74 -0.11 0.00 0.00 0.00 0.00 32.46 26.79 2pa5 n ARG 455 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2pa5 s GLN 456 N -5.29 0.64 0.07 5.56 -0.21 -0.56 -5.02 119.66 114.85 2pa5 s GLN 456 Ca 0.01 -0.93 0.06 0.00 0.02 0.00 0.00 55.36 54.52 2pa5 s GLN 456 Cb -0.00 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.66 2pa5 s GLN 456 CO 0.70 0.04 -0.17 0.15 -2.12 0.00 0.00 175.29 173.89 2pa5 s LYS 457 N -2.21 1.03 -0.03 2.91 1.02 -1.26 -0.83 119.74 120.37 2pa5 s LYS 457 Ca -0.03 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 2pa5 s LYS 457 Cb -0.06 -1.14 0.01 0.00 -0.52 0.00 0.00 37.83 36.12 2pa5 s LYS 457 CO -0.01 0.27 0.12 0.50 -0.92 0.00 0.00 175.35 175.31 2pa5 s ARG 458 N -1.60 0.27 -0.18 1.68 3.52 -0.29 -5.00 118.95 117.35 2pa5 s ARG 458 Ca 0.03 -0.06 -0.14 0.00 -0.13 0.00 0.00 55.73 55.43 2pa5 s ARG 458 Cb -0.09 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.37 2pa5 s ARG 458 CO 0.03 -0.05 0.29 -1.14 -0.81 0.00 0.00 175.30 173.62 2pa5 s GLN 459 N -0.52 4.22 -0.01 5.12 0.74 -1.26 -0.94 119.66 127.01 2pa5 s GLN 459 Ca -0.06 0.06 0.07 0.00 0.05 0.00 0.00 55.36 55.48 2pa5 s GLN 459 Cb -0.04 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 2pa5 s GLN 459 CO 0.01 0.16 -0.21 0.08 -0.55 0.00 0.00 175.29 174.77 2pa5 s VAL 460 N 0.70 1.70 -0.14 1.34 1.01 0.92 -4.86 120.40 121.08 2pa5 s VAL 460 Ca 0.16 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2pa5 s VAL 460 Cb -0.13 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2pa5 s VAL 460 CO 0.04 0.47 -0.06 -0.89 0.00 0.00 0.00 175.10 174.67 2pa5 s THR 461 N -0.52 3.74 -0.20 3.92 2.01 -0.10 -0.29 115.64 124.20 2pa5 s THR 461 Ca 0.08 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2pa5 s THR 461 Cb -0.08 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2pa5 s THR 461 CO -0.01 0.52 -0.11 -2.28 -0.69 0.00 0.00 174.62 172.05 2pa5 s HIS 462 N 0.15 2.88 -0.17 4.92 5.04 0.52 -0.88 115.29 127.75 2pa5 s HIS 462 Ca -0.02 -1.23 -0.03 0.00 -1.54 0.00 0.00 55.06 52.23 2pa5 s HIS 462 Cb -0.14 -2.03 -0.02 0.00 0.04 0.00 0.00 32.58 30.43 2pa5 s HIS 462 CO 0.03 -0.66 -0.05 -0.06 -2.34 0.00 0.00 174.74 171.66 2pa5 s PHE 463 N 1.39 2.96 -0.21 3.88 0.08 0.18 -0.06 117.98 126.21 2pa5 s PHE 463 Ca 0.05 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.59 2pa5 s PHE 463 Cb -0.14 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2pa5 s PHE 463 CO -0.07 -0.20 -0.16 -1.14 -0.10 0.00 0.00 175.22 173.54 2pa5 s GLN 464 N 0.67 2.83 -0.11 0.44 0.74 -0.33 -0.11 119.66 123.79 2pa5 s GLN 464 Ca -0.03 -0.95 -0.25 0.00 0.05 0.00 0.00 55.36 54.18 2pa5 s GLN 464 Cb -0.15 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 2pa5 s GLN 464 CO 0.02 -0.31 0.78 0.12 -0.55 0.00 0.00 175.29 175.36 2pa5 s PHE 465 N 1.26 3.51 -0.73 1.67 5.36 0.14 -1.07 117.98 128.12 2pa5 s PHE 465 Ca 0.01 1.29 0.13 0.00 -0.96 0.00 0.00 56.93 57.40 2pa5 s PHE 465 Cb -0.15 -2.92 -0.11 0.00 -0.34 0.00 0.00 43.02 39.50 2pa5 s PHE 465 CO -0.10 -0.07 0.58 1.28 -1.46 0.00 0.00 175.22 175.45 2pa5 n LEU 466 N 4.43 0.78 -1.31 6.12 4.77 0.33 -4.00 117.00 128.11 2pa5 n LEU 466 Ca 0.02 -0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 55.39 2pa5 n LEU 466 Cb 0.50 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.80 2pa5 n LEU 466 CO 0.48 0.18 0.80 -1.20 -1.33 0.00 0.00 177.39 176.31 2pa5 n SER 467 N -1.05 2.96 -4.78 -1.43 7.64 -1.23 -4.96 113.62 110.77 2pa5 n SER 467 Ca 0.03 -3.62 -0.38 0.00 1.01 0.00 0.00 58.87 55.91 2pa5 n SER 467 Cb 0.21 -0.66 -0.06 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 -3.18 3.68 -0.25 1.43 -0.11 -1.26 -5.00 118.94 114.24 2pa5 s TRP 468 Ca 0.46 1.07 -0.22 0.00 1.22 0.00 0.00 56.10 58.63 2pa5 s TRP 468 Cb 0.41 -2.47 0.07 0.00 -1.50 0.00 0.00 33.47 29.97 2pa5 s TRP 468 CO 0.03 0.44 0.66 -2.14 -4.62 0.00 0.00 176.95 171.32 2pa5 s PRO 474 N -0.44 0.76 0.45 5.86 0.02 -1.26 -5.07 135.00 135.32 2pa5 s PRO 474 Ca 0.27 0.94 0.24 0.00 0.02 0.00 0.00 61.00 62.47 2pa5 s PRO 474 Cb -0.17 0.35 1.01 0.00 0.02 0.00 0.00 34.50 35.71 2pa5 s PRO 474 CO 0.15 -0.10 1.87 0.66 -0.33 0.00 0.00 177.00 179.25 2pa5 h SER 475 N 5.29 0.00 -3.87 2.53 4.64 -2.06 -3.41 113.55 116.67 2pa5 h SER 475 Ca -0.29 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.59 2pa5 h SER 475 Cb 1.17 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.95 2pa5 h SER 475 CO 0.10 0.23 -0.79 -0.55 -0.87 0.00 0.00 176.83 174.94 2pa5 s SER 476 N -6.23 1.29 0.00 4.97 0.15 -1.26 -5.05 113.70 107.56 2pa5 s SER 476 Ca -0.00 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 56.66 2pa5 s SER 476 Cb 0.11 -0.31 0.87 0.00 -1.71 0.00 0.00 66.02 64.98 2pa5 s SER 476 CO 0.63 0.08 1.61 0.00 1.20 0.00 0.00 173.24 176.77 2pa5 n ALA 477 N 3.20 2.54 -0.02 5.45 0.00 -1.26 -4.35 120.51 126.07 2pa5 n ALA 477 Ca -0.17 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 2pa5 n ALA 477 Cb 0.55 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 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 4.00 0.11 -0.77 0.00 0.00 -1.96 -1.09 119.26 119.56 2pa5 h ALA 478 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2pa5 h ALA 478 Cb 0.39 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2pa5 h ALA 478 CO 0.00 -0.26 0.35 0.66 0.00 0.00 0.00 179.25 180.00 2pa5 h SER 479 N -0.09 0.39 -0.18 0.00 4.64 -2.00 -1.61 113.55 114.70 2pa5 h SER 479 Ca 0.03 0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 2pa5 h SER 479 Cb 0.26 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2pa5 h SER 479 CO 0.00 0.18 -0.49 0.25 -0.87 0.00 0.00 176.83 175.89 2pa5 h LEU 480 N 0.53 0.75 -0.58 5.97 5.85 -1.76 -1.56 115.31 124.51 2pa5 h LEU 480 Ca 0.41 -0.58 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 2pa5 h LEU 480 Cb 0.57 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2pa5 h LEU 480 CO -0.36 1.20 -0.07 0.40 -0.34 0.00 0.00 178.44 179.27 2pa5 h ILE 481 N 0.34 1.27 -0.71 4.05 1.08 -1.01 -0.31 117.51 122.22 2pa5 h ILE 481 Ca -0.01 -1.23 0.07 0.00 -0.39 0.00 0.00 64.86 63.30 2pa5 h ILE 481 Cb 1.11 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 35.70 2pa5 h ILE 481 CO 0.11 0.44 0.39 -0.78 -0.69 0.00 0.00 178.15 177.62 2pa5 h ASP 482 N 0.94 0.56 -0.45 1.72 3.58 -1.27 -1.87 116.42 119.63 2pa5 h ASP 482 Ca 0.15 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2pa5 h ASP 482 Cb 0.64 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2pa5 h ASP 482 CO 0.04 0.35 0.25 0.15 -2.88 0.00 0.00 179.24 177.16 2pa5 h PHE 483 N 0.70 0.62 -0.57 0.28 3.57 -0.83 -1.75 116.94 118.95 2pa5 h PHE 483 Ca 0.32 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.86 2pa5 h PHE 483 Cb 0.24 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 2pa5 h PHE 483 CO -0.08 0.46 0.30 1.25 -2.23 0.00 0.00 178.31 178.02 2pa5 h LEU 484 N 0.60 0.44 -0.83 0.59 6.46 -0.59 -0.68 115.31 121.31 2pa5 h LEU 484 Ca 0.16 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2pa5 h LEU 484 Cb 0.04 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 2pa5 h LEU 484 CO -0.03 0.30 0.45 0.03 -0.62 0.00 0.00 178.44 178.57 2pa5 h ARG 485 N 0.58 1.15 -0.15 1.25 3.08 -1.06 0.02 114.38 119.26 2pa5 h ARG 485 Ca 0.25 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2pa5 h ARG 485 Cb 0.15 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2pa5 h ARG 485 CO -0.17 0.85 0.07 0.28 -1.07 0.00 0.00 179.97 179.93 2pa5 h VAL 486 N 1.15 1.13 -0.25 2.04 2.07 -0.84 -0.18 116.25 121.36 2pa5 h VAL 486 Ca 0.29 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2pa5 h VAL 486 Cb 0.04 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2pa5 h VAL 486 CO -0.05 0.12 -0.01 0.58 0.02 0.00 0.00 177.57 178.24 2pa5 h VAL 487 N 0.10 0.81 -0.81 2.57 2.07 -0.77 -1.11 116.25 119.11 2pa5 h VAL 487 Ca 0.05 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2pa5 h VAL 487 Cb 0.13 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2pa5 h VAL 487 CO -0.01 0.01 0.39 0.03 0.02 0.00 0.00 177.57 178.02 2pa5 h ARG 488 N 0.06 1.16 -0.40 1.57 -0.00 -0.85 -1.29 114.38 114.64 2pa5 h ARG 488 Ca 0.12 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2pa5 h ARG 488 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 29.97 29.90 2pa5 h ARG 488 CO -0.21 0.89 0.27 -0.91 0.00 0.00 0.00 179.97 180.01 2pa5 h ASN 489 N 1.14 0.46 -0.51 7.04 4.21 -0.75 -0.64 115.58 126.54 2pa5 h ASN 489 Ca 0.28 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.75 2pa5 h ASN 489 Cb 0.11 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 2pa5 h ASN 489 CO -0.04 0.33 0.21 -0.61 -1.29 0.00 0.00 177.43 176.04 2pa5 h GLN 490 N 0.55 0.76 -0.44 0.81 5.75 -0.90 -0.88 115.11 120.76 2pa5 h GLN 490 Ca 0.15 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2pa5 h GLN 490 Cb -0.06 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 2pa5 h GLN 490 CO -0.03 0.66 0.19 0.37 -2.65 0.00 0.00 178.83 177.37 2pa5 h GLN 491 N 0.68 0.37 -0.24 1.69 5.75 -0.92 -0.29 115.11 122.16 2pa5 h GLN 491 Ca 0.17 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2pa5 h GLN 491 Cb 0.18 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2pa5 h GLN 491 CO -0.02 0.25 0.15 1.03 -2.65 0.00 0.00 178.83 177.59 2pa5 h SER 492 N 0.38 0.28 -0.33 -0.69 0.87 -0.84 0.29 113.55 113.52 2pa5 h SER 492 Ca 0.20 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2pa5 h SER 492 Cb 0.15 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2pa5 h SER 492 CO -0.17 0.24 0.15 -0.07 -0.53 0.00 0.00 176.83 176.45 2pa5 h LEU 493 N 0.30 0.21 -0.56 2.23 4.07 -0.93 -0.00 115.31 120.63 2pa5 h LEU 493 Ca 0.08 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 2pa5 h LEU 493 Cb 0.01 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2pa5 h LEU 493 CO -0.02 0.16 -0.07 0.00 -1.08 0.00 0.00 178.44 177.44 2pa5 h ALA 494 N 1.18 0.77 -0.44 1.53 0.00 -0.68 -2.21 119.26 119.40 2pa5 h ALA 494 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2pa5 h ALA 494 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pa5 h ALA 494 CO -0.11 0.65 -0.24 0.28 0.00 0.00 0.00 179.25 179.84 2pa5 h VAL 495 N 0.92 1.27 -0.01 0.00 2.07 -0.79 -2.06 116.25 117.66 2pa5 h VAL 495 Ca 0.15 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 2pa5 h VAL 495 Cb 0.63 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2pa5 h VAL 495 CO 0.04 0.48 -0.32 0.77 0.02 0.00 0.00 177.57 178.56 2pa5 h SER 496 N 0.78 0.02 1.26 0.57 4.64 -0.86 -1.47 113.55 118.48 2pa5 h SER 496 Ca 0.09 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 2pa5 h SER 496 Cb 0.82 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2pa5 h SER 496 CO 0.07 0.34 -0.26 0.78 -0.87 0.00 0.00 176.83 176.89 2pa5 h ASN 497 N 0.02 0.00 0.00 4.97 -0.26 -1.25 -3.51 115.58 115.55 2pa5 h ASN 497 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2pa5 h ASN 497 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 2pa5 h ASN 497 CO 0.04 0.26 0.00 0.23 -1.06 0.00 0.00 177.43 176.90 2pa5 n MET 498 N -3.28 0.00 0.00 0.81 2.81 -0.56 -5.10 117.12 111.80 2pa5 n MET 498 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2pa5 n MET 498 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 2pa5 n MET 498 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2pa5 n PRO 507 N 0.00 0.00 -1.87 0.03 -0.05 -1.26 -5.12 135.00 126.73 2pa5 n PRO 507 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 63.03 2pa5 n PRO 507 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 33.50 33.42 2pa5 n PRO 507 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2pa5 s GLU 508 N 0.00 4.18 0.71 0.54 2.12 -1.26 -4.98 118.70 120.01 2pa5 s GLU 508 Ca 0.00 2.40 -0.13 0.00 0.36 0.00 0.00 54.97 57.59 2pa5 s GLU 508 Cb 0.00 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.72 2pa5 s GLU 508 CO 0.00 -0.79 1.11 -1.25 -0.54 0.00 0.00 175.26 173.79 2pa5 s PRO 509 N 2.99 2.53 0.61 4.30 0.05 -1.26 -4.92 135.00 139.30 2pa5 s PRO 509 Ca 0.77 1.35 -0.16 0.00 0.05 0.00 0.00 61.00 63.01 2pa5 s PRO 509 Cb -0.41 -1.92 -0.03 0.00 0.05 0.00 0.00 34.50 32.20 2pa5 s PRO 509 CO 0.34 -1.45 1.07 -1.25 0.05 0.00 0.00 177.00 175.76 2pa5 s PRO 510 N -4.35 3.18 -0.18 0.56 0.04 -1.25 -4.93 135.00 128.08 2pa5 s PRO 510 Ca 0.66 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 2pa5 s PRO 510 Cb -0.20 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2pa5 s PRO 510 CO 0.47 -0.93 0.74 0.42 0.04 0.00 0.00 177.00 177.74 2pa5 s ILE 511 N -2.41 4.95 0.01 0.56 1.01 -0.57 -4.43 121.20 120.32 2pa5 s ILE 511 Ca 0.65 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 62.42 2pa5 s ILE 511 Cb -0.17 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2pa5 s ILE 511 CO 0.38 0.07 1.11 -0.69 0.00 0.00 0.00 174.94 175.81 2pa5 s VAL 512 N 2.00 4.41 -0.10 2.92 1.01 -0.83 -1.13 120.40 128.69 2pa5 s VAL 512 Ca 0.34 1.73 0.02 0.00 0.00 0.00 0.00 61.98 64.07 2pa5 s VAL 512 Cb -0.16 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2pa5 s VAL 512 CO 0.12 0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 174.50 2pa5 s VAL 513 N 1.24 1.36 0.06 2.92 1.01 0.49 0.13 120.40 127.60 2pa5 s VAL 513 Ca 0.55 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2pa5 s VAL 513 Cb -0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2pa5 s VAL 513 CO 0.27 0.41 -0.04 -1.38 0.00 0.00 0.00 175.10 174.37 2pa5 s HIS 514 N 0.98 0.57 0.00 5.22 -3.43 -0.06 -1.51 115.29 117.06 2pa5 s HIS 514 Ca -0.07 -1.02 0.00 0.00 -0.80 0.00 0.00 55.06 53.16 2pa5 s HIS 514 Cb -0.15 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.60 2pa5 s HIS 514 CO -0.01 -0.34 0.00 0.00 -2.00 0.00 0.00 174.74 172.40 2pa5 h SER 516 N 0.00 -0.70 -0.00 0.00 4.64 -1.88 0.41 113.55 116.01 2pa5 h SER 516 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2pa5 h SER 516 Cb 0.00 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2pa5 h SER 516 CO 0.00 -0.36 -0.29 0.00 -0.87 0.00 0.00 176.83 175.31 2pa5 n ALA 517 N -2.55 2.94 -1.60 5.18 0.00 -1.26 -0.88 120.51 122.34 2pa5 n ALA 517 Ca -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 2pa5 n ALA 517 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 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 1.02 0.42 0.00 0.00 0.00 -1.17 -4.04 105.19 101.43 2pa5 n GLY 518 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.48 0.00 0.00 -0.61 -5.35 -1.26 -4.51 119.36 104.15 2pa5 n ILE 519 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2pa5 n ILE 519 Cb 0.33 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 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 2.36 1.32 0.32 3.28 0.00 -1.26 -0.65 105.19 110.56 2pa5 n GLY 520 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.96 -0.39 1.61 3.08 -1.96 -0.79 114.38 116.89 2pa5 h ARG 521 Ca 0.00 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2pa5 h ARG 521 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2pa5 h ARG 521 CO 0.00 0.79 0.23 1.15 -1.07 0.00 0.00 179.97 181.08 2pa5 h THR 522 N 0.95 1.13 -0.79 2.04 2.02 -1.87 0.21 112.91 116.60 2pa5 h THR 522 Ca 0.22 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 2pa5 h THR 522 Cb 0.19 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2pa5 h THR 522 CO -0.02 0.13 0.37 1.23 0.37 0.00 0.00 175.52 177.60 2pa5 h GLY 523 N 0.51 1.22 0.84 2.16 0.00 -1.29 -1.36 103.07 105.15 2pa5 h GLY 523 Ca 0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2pa5 h GLY 523 CO -0.03 0.58 0.04 -0.84 0.00 0.00 0.00 176.54 176.29 2pa5 h THR 524 N 1.11 1.21 -0.13 4.70 2.02 -0.82 -0.05 112.91 120.95 2pa5 h THR 524 Ca 0.27 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2pa5 h THR 524 Cb 0.13 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2pa5 h THR 524 CO -0.03 0.21 -0.12 0.15 0.37 0.00 0.00 175.52 176.09 2pa5 h PHE 525 N 0.09 -0.31 -0.38 3.16 3.57 -0.84 0.34 116.94 122.56 2pa5 h PHE 525 Ca 0.05 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 2pa5 h PHE 525 Cb 0.28 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2pa5 h PHE 525 CO 0.01 -0.19 -0.25 0.00 -2.23 0.00 0.00 178.31 175.66 2pa5 h SER 527 N 0.67 0.85 -0.61 0.00 0.02 -0.73 -1.47 113.55 112.28 2pa5 h SER 527 Ca 0.09 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2pa5 h SER 527 Cb 0.76 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2pa5 h SER 527 CO 0.06 0.97 0.37 -0.07 -1.14 0.00 0.00 176.83 177.02 2pa5 h LEU 528 N 0.70 0.73 -0.45 5.07 3.38 -0.79 -1.20 115.31 122.74 2pa5 h LEU 528 Ca 0.13 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2pa5 h LEU 528 Cb 0.56 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2pa5 h LEU 528 CO 0.03 0.57 0.26 -0.78 0.09 0.00 0.00 178.44 178.61 2pa5 h ASP 529 N 0.82 0.40 -0.10 -0.43 3.58 -1.01 -0.23 116.42 119.44 2pa5 h ASP 529 Ca 0.22 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2pa5 h ASP 529 Cb -0.02 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2pa5 h ASP 529 CO -0.04 0.29 0.04 0.40 -2.88 0.00 0.00 179.24 177.05 2pa5 h ILE 530 N 0.51 1.14 -0.70 2.25 2.04 -1.10 -0.92 117.51 120.74 2pa5 h ILE 530 Ca 0.19 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2pa5 h ILE 530 Cb 0.04 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 2pa5 h ILE 530 CO -0.10 0.12 0.43 0.00 0.00 0.00 0.00 178.15 178.61 2pa5 h LEU 532 N 0.84 0.07 -0.47 0.00 3.38 -0.82 -1.15 115.31 117.17 2pa5 h LEU 532 Ca 0.28 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2pa5 h LEU 532 Cb 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2pa5 h LEU 532 CO -0.12 0.64 0.09 0.00 0.09 0.00 0.00 178.44 179.14 2pa5 h ALA 533 N 1.37 0.62 -0.51 1.53 0.00 -0.84 -0.41 119.26 121.02 2pa5 h ALA 533 Ca -0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2pa5 h ALA 533 Cb 1.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2pa5 h ALA 533 CO 0.08 0.33 -0.05 0.37 0.00 0.00 0.00 179.25 179.98 2pa5 h GLN 534 N 0.63 0.89 -0.45 0.00 4.15 -0.94 -2.19 115.11 117.20 2pa5 h GLN 534 Ca 0.14 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 2pa5 h GLN 534 Cb 0.36 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2pa5 h GLN 534 CO 0.01 0.92 0.21 1.25 -1.93 0.00 0.00 178.83 179.28 2pa5 h LEU 535 N 0.81 0.59 0.08 -2.39 5.85 -0.65 0.95 115.31 120.55 2pa5 h LEU 535 Ca 0.14 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2pa5 h LEU 535 Cb 0.55 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2pa5 h LEU 535 CO 0.03 0.56 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.32 2pa5 h GLU 536 N 0.58 -0.47 -0.04 1.25 4.81 -0.81 0.21 114.58 120.10 2pa5 h GLU 536 Ca 0.15 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 2pa5 h GLU 536 Cb 0.14 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.63 2pa5 h GLU 536 CO -0.02 -0.31 -0.51 1.49 -0.73 0.00 0.00 179.01 178.93 2pa5 h GLU 537 N -0.49 0.42 0.00 1.92 4.81 -1.19 -3.39 114.58 116.66 2pa5 h GLU 537 Ca 0.04 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2pa5 h GLU 537 Cb 0.54 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2pa5 h GLU 537 CO -0.20 1.05 -0.50 1.28 -0.73 0.00 0.00 179.01 179.91 2pa5 n LEU 538 N -4.27 0.44 -0.24 1.64 4.77 0.31 -5.01 117.00 114.64 2pa5 n LEU 538 Ca -0.09 -0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 55.38 2pa5 n LEU 538 Cb 0.62 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 2pa5 n LEU 538 CO 0.45 0.11 -0.03 0.61 -1.33 0.00 0.00 177.39 177.20 2pa5 n GLY 539 N 1.26 0.59 3.21 -0.72 0.00 0.72 -4.98 105.19 105.26 2pa5 n GLY 539 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.91 0.30 0.22 2.61 -4.23 -1.26 -4.29 115.64 107.09 2pa5 s THR 540 Ca 0.00 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 2pa5 s THR 540 Cb 0.00 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2pa5 s THR 540 CO 0.00 -0.31 0.48 -1.48 -0.54 0.00 0.00 174.62 172.77 2pa5 s LEU 541 N -3.14 0.30 -0.34 4.79 0.05 -0.30 -2.09 118.68 117.94 2pa5 s LEU 541 Ca 0.29 -0.74 0.02 0.00 0.05 0.00 0.00 54.13 53.75 2pa5 s LEU 541 Cb 0.07 1.87 0.15 0.00 -2.05 0.00 0.00 46.19 46.23 2pa5 s LEU 541 CO 0.06 -1.08 0.33 0.21 -0.55 0.00 0.00 176.35 175.32 2pa5 s ASN 542 N -2.95 1.51 0.09 1.48 3.84 -1.26 -0.90 114.94 116.76 2pa5 s ASN 542 Ca 0.16 -1.33 -0.19 0.00 0.21 0.00 0.00 52.86 51.71 2pa5 s ASN 542 Cb -0.01 0.46 -0.07 0.00 -0.55 0.00 0.00 41.25 41.08 2pa5 s ASN 542 CO 0.03 -0.31 1.58 0.58 -2.79 0.00 0.00 177.10 176.19 2pa5 h VAL 543 N 5.51 1.21 -0.33 -5.21 2.07 -1.97 -0.94 116.25 116.59 2pa5 h VAL 543 Ca -0.02 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.85 2pa5 h VAL 543 Cb 1.06 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2pa5 h VAL 543 CO 0.26 0.23 0.05 0.15 0.02 0.00 0.00 177.57 178.27 2pa5 h PHE 544 N 0.22 0.07 -0.18 1.57 3.57 -1.98 -0.54 116.94 119.67 2pa5 h PHE 544 Ca 0.08 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 2pa5 h PHE 544 Cb 0.29 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2pa5 h PHE 544 CO 0.01 -0.00 -0.62 1.96 -2.23 0.00 0.00 178.31 177.43 2pa5 h GLN 545 N 0.15 0.64 -0.09 1.11 7.50 -1.97 -1.22 115.11 121.24 2pa5 h GLN 545 Ca 0.16 -0.44 0.01 0.00 0.50 0.00 0.00 58.65 58.88 2pa5 h GLN 545 Cb 0.19 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 2pa5 h GLN 545 CO -0.22 1.06 -0.00 1.15 -1.50 0.00 0.00 178.83 179.31 2pa5 h THR 546 N 0.47 0.94 -0.20 -0.54 2.02 -0.82 -0.07 112.91 114.70 2pa5 h THR 546 Ca -0.01 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 2pa5 h THR 546 Cb 1.20 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2pa5 h THR 546 CO 0.12 0.00 -0.27 0.58 0.37 0.00 0.00 175.52 176.33 2pa5 h VAL 547 N 0.03 1.33 -0.37 3.16 2.07 -1.07 -0.50 116.25 120.90 2pa5 h VAL 547 Ca 0.04 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2pa5 h VAL 547 Cb 0.05 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2pa5 h VAL 547 CO -0.07 0.45 0.10 0.28 0.02 0.00 0.00 177.57 178.35 2pa5 h SER 548 N 0.21 0.07 -0.39 0.57 0.02 -1.15 -1.27 113.55 111.61 2pa5 h SER 548 Ca 0.02 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2pa5 h SER 548 Cb 0.84 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2pa5 h SER 548 CO 0.06 0.07 -0.04 0.03 -1.14 0.00 0.00 176.83 175.81 2pa5 h ARG 549 N 0.24 0.72 -1.01 3.45 3.08 -0.96 -3.04 114.38 116.86 2pa5 h ARG 549 Ca 0.18 -0.25 0.11 0.00 0.07 0.00 0.00 59.98 60.08 2pa5 h ARG 549 Cb 0.18 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 2pa5 h ARG 549 CO -0.21 0.83 0.64 1.98 -1.07 0.00 0.00 179.97 182.14 2pa5 h MET 550 N 0.53 1.01 0.00 0.04 4.05 -0.69 -1.31 114.93 118.57 2pa5 h MET 550 Ca 0.10 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2pa5 h MET 550 Cb 0.54 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2pa5 h MET 550 CO 0.03 0.67 0.00 0.54 0.23 0.00 0.00 176.91 178.38 2pa5 n ARG 551 N -4.59 0.01 0.00 0.39 1.74 -0.51 -0.36 116.66 113.34 2pa5 n ARG 551 Ca 0.18 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 57.71 2pa5 n ARG 551 Cb 0.31 -1.53 0.46 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.55 0.00 0.02 0.55 -2.24 -0.49 -3.85 114.28 106.72 2pa5 n THR 552 Ca 0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2pa5 n THR 552 Cb 0.13 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.04 0.00 -3.62 -0.78 6.02 -0.36 -4.86 117.38 112.74 2pa5 n GLN 553 Ca 0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.71 2pa5 n GLN 553 Cb 0.32 -0.48 -0.09 0.00 1.02 0.00 0.00 30.24 31.01 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 -2.00 2.50 0.34 -1.09 6.06 0.51 -4.74 118.95 120.54 2pa5 s ARG 554 Ca 0.00 -2.04 -0.27 0.00 -2.50 0.00 0.00 55.73 50.92 2pa5 s ARG 554 Cb 0.00 -3.85 -0.13 0.00 0.06 0.00 0.00 34.95 31.03 2pa5 s ARG 554 CO 0.00 -1.17 1.09 0.00 -2.50 0.00 0.00 175.30 172.71 2pa5 n ALA 555 N 4.38 0.32 -0.99 6.12 0.00 -1.25 -2.42 120.51 126.68 2pa5 n ALA 555 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2pa5 n ALA 555 Cb 0.41 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 0.05 0.00 -1.72 0.00 3.72 -1.26 -4.93 117.46 113.32 2pa5 n PHE 556 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 2pa5 n PHE 556 Cb 0.35 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.08 3.80 -1.75 4.37 7.64 -1.02 -4.09 113.62 122.49 2pa5 n SER 557 Ca 0.00 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.96 2pa5 n SER 557 Cb 0.04 -1.56 -0.01 0.00 -1.01 0.00 0.00 64.21 61.67 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 3.19 -6.11 0.01 0.44 2.08 0.18 -4.80 119.36 114.35 2pa5 n ILE 558 Ca 0.13 0.94 0.06 0.00 0.56 0.00 0.00 62.75 64.44 2pa5 n ILE 558 Cb 0.35 -4.38 -0.12 0.00 -0.75 0.00 0.00 39.64 34.74 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 0.56 0.65 -4.11 0.38 7.27 -1.26 -4.96 117.38 115.91 2pa5 n GLN 559 Ca -0.11 -0.03 -0.13 0.00 0.07 0.00 0.00 57.00 56.79 2pa5 n GLN 559 Cb 0.16 -1.63 -0.11 0.00 2.41 0.00 0.00 30.24 31.07 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 -3.23 0.69 0.30 1.69 -4.23 -1.26 -5.04 115.64 104.56 2pa5 s THR 560 Ca -0.06 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 2pa5 s THR 560 Cb 0.11 -0.93 0.29 0.00 1.34 0.00 0.00 72.50 73.32 2pa5 s THR 560 CO 0.86 -0.46 1.75 -0.65 -0.54 0.00 0.00 174.62 175.58 2pa5 h PRO 561 N 4.11 0.64 -0.47 3.99 0.11 -1.93 -1.88 132.00 136.58 2pa5 h PRO 561 Ca -0.37 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 2pa5 h PRO 561 Cb 1.19 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2pa5 h PRO 561 CO 0.46 0.43 -0.14 1.49 -0.21 0.00 0.00 178.00 180.02 2pa5 h GLU 562 N 0.66 0.90 -0.95 1.05 4.57 -1.98 0.16 114.58 118.99 2pa5 h GLU 562 Ca 0.58 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2pa5 h GLU 562 Cb 0.97 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.46 2pa5 h GLU 562 CO -0.42 0.98 0.58 1.96 -1.18 0.00 0.00 179.01 180.93 2pa5 h GLN 563 N 0.80 1.29 -0.29 1.92 4.20 -1.77 0.17 115.11 121.42 2pa5 h GLN 563 Ca 0.12 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2pa5 h GLN 563 Cb 0.67 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2pa5 h GLN 563 CO 0.05 0.90 0.06 -0.92 -0.67 0.00 0.00 178.83 178.25 2pa5 h TYR 564 N 1.31 0.50 -0.43 2.96 3.20 -0.90 -2.39 116.97 121.22 2pa5 h TYR 564 Ca 0.34 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 2pa5 h TYR 564 Cb -0.06 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2pa5 h TYR 564 CO 0.01 0.55 0.02 -0.92 -1.64 0.00 0.00 178.16 176.17 2pa5 h TYR 565 N 0.30 0.71 -0.69 -3.82 3.20 -0.47 -1.89 116.97 114.31 2pa5 h TYR 565 Ca 0.09 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2pa5 h TYR 565 Cb 0.31 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2pa5 h TYR 565 CO 0.02 0.67 0.46 0.35 -1.64 0.00 0.00 178.16 178.01 2pa5 h PHE 566 N 0.64 0.80 -0.25 -3.82 3.57 -0.33 -0.61 116.94 116.94 2pa5 h PHE 566 Ca 0.13 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2pa5 h PHE 566 Cb 0.38 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2pa5 h PHE 566 CO 0.02 0.47 0.07 0.00 -2.23 0.00 0.00 178.31 176.64 2pa5 h TYR 568 N 0.18 -0.47 -0.88 0.00 0.05 -1.35 -2.54 116.97 111.97 2pa5 h TYR 568 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2pa5 h TYR 568 Cb 0.08 0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 2pa5 h TYR 568 CO -0.13 -0.27 0.56 0.87 -1.05 0.00 0.00 178.16 178.14 2pa5 h LYS 569 N -0.40 1.18 -0.47 4.88 1.57 -0.72 -1.93 116.57 120.68 2pa5 h LYS 569 Ca -0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2pa5 h LYS 569 Cb 0.37 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2pa5 h LYS 569 CO -0.03 0.80 0.19 0.00 -0.57 0.00 0.00 179.45 179.84 2pa5 h ALA 570 N 1.31 0.61 -0.42 3.86 0.00 -0.70 0.11 119.26 124.03 2pa5 h ALA 570 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pa5 h ALA 570 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2pa5 h ALA 570 CO -0.07 0.21 0.26 0.82 0.00 0.00 0.00 179.25 180.48 2pa5 h ILE 571 N 0.62 1.12 -0.55 0.00 2.04 -1.21 -1.13 117.51 118.40 2pa5 h ILE 571 Ca 0.16 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 2pa5 h ILE 571 Cb 0.18 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2pa5 h ILE 571 CO -0.01 0.12 -0.07 -0.07 0.00 0.00 0.00 178.15 178.11 2pa5 h LEU 572 N 0.56 1.01 -0.27 1.44 3.38 -1.06 0.13 115.31 120.50 2pa5 h LEU 572 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2pa5 h LEU 572 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2pa5 h LEU 572 CO -0.03 1.11 0.13 -0.08 0.09 0.00 0.00 178.44 179.66 2pa5 h GLU 573 N 0.89 0.38 -0.20 1.13 4.81 -0.64 -0.54 114.58 120.41 2pa5 h GLU 573 Ca 0.15 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2pa5 h GLU 573 Cb 0.63 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2pa5 h GLU 573 CO 0.04 0.36 0.04 0.35 -0.73 0.00 0.00 179.01 179.08 2pa5 h PHE 574 N 0.31 0.08 -0.51 0.92 3.57 -1.03 -1.06 116.94 119.22 2pa5 h PHE 574 Ca 0.09 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2pa5 h PHE 574 Cb 0.10 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 2pa5 h PHE 574 CO -0.02 0.03 0.16 0.00 -2.23 0.00 0.00 178.31 176.24 2pa5 h ALA 575 N 1.14 0.61 -0.10 2.41 0.00 -0.55 0.84 119.26 123.62 2pa5 h ALA 575 Ca 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pa5 h ALA 575 Cb 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pa5 h ALA 575 CO -0.12 -0.24 0.05 1.49 0.00 0.00 0.00 179.25 180.43 2pa5 h GLU 576 N 0.33 0.15 -0.94 0.00 4.22 -0.82 -0.17 114.58 117.34 2pa5 h GLU 576 Ca 0.25 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.74 2pa5 h GLU 576 Cb 0.29 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2pa5 h GLU 576 CO -0.27 0.21 0.61 -0.22 -2.18 0.00 0.00 179.01 177.16 2pa5 h LYS 577 N 0.05 1.03 0.00 1.92 3.64 -0.80 -2.52 116.57 119.88 2pa5 h LYS 577 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2pa5 h LYS 577 Cb 0.11 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2pa5 h LYS 577 CO -0.00 0.68 0.00 0.39 -2.27 0.00 0.00 179.45 178.25 2pa5 n GLU 578 N -4.50 0.78 -1.48 1.90 -0.58 0.25 -4.90 120.64 112.12 2pa5 n GLU 578 Ca 0.15 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.86 2pa5 n GLU 578 Cb 0.21 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 1.10 0.45 0.11 0.62 0.00 -0.95 -4.94 105.19 101.58 2pa5 n GLY 579 Ca 0.20 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.45 2pa5 n GLY 579 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2pa5 h MET 580 N 0.00 0.00 -0.02 1.61 2.86 -1.26 -3.50 114.93 114.62 2pa5 h MET 580 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2pa5 h MET 580 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2pa5 h MET 580 CO 0.07 0.00 0.00 0.28 1.06 0.00 0.00 176.91 178.32