#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buu s ILE 304 N 0.00 4.21 0.11 1.39 1.01 -1.26 -5.03 121.20 121.63 2buu s ILE 304 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 2buu s ILE 304 Cb 0.00 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.42 2buu s ILE 304 CO 0.00 0.32 0.80 0.26 0.00 0.00 0.00 174.94 176.32 2buu s TRP 305 N 1.60 3.83 0.00 3.97 0.52 -1.26 -0.13 118.94 127.46 2buu s TRP 305 Ca 0.06 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.78 2buu s TRP 305 Cb -0.15 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 2buu s TRP 305 CO 0.03 0.38 0.00 0.41 0.02 0.00 0.00 176.95 177.79 2buu n GLY 306 N 1.98 1.90 3.91 0.98 0.00 0.14 -4.79 105.19 109.32 2buu n GLY 306 Ca -0.03 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 2buu n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buu s ALA 307 N -3.01 3.18 0.60 4.61 0.00 -1.26 -4.54 121.76 121.33 2buu s ALA 307 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 2buu s ALA 307 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2buu s ALA 307 CO 0.00 -0.92 1.17 0.71 0.00 0.00 0.00 175.76 176.72 2buu s TYR 308 N -3.11 2.47 0.62 0.00 1.51 -1.26 -1.90 117.35 115.68 2buu s TYR 308 Ca 0.55 1.53 -0.18 0.00 -1.01 0.00 0.00 57.07 57.97 2buu s TYR 308 Cb -0.11 -3.39 -0.02 0.00 -0.11 0.00 0.00 41.96 38.33 2buu s TYR 308 CO 0.47 -2.00 1.23 0.00 -1.11 0.00 0.00 175.55 174.13 2buu s ALA 309 N -1.76 2.45 0.45 3.71 0.00 -0.41 -4.89 121.76 121.31 2buu s ALA 309 Ca 0.75 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.49 2buu s ALA 309 Cb -0.27 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 2buu s ALA 309 CO 0.33 -1.36 1.42 0.94 0.00 0.00 0.00 175.76 177.09 2buu n GLN 310 N -1.82 2.23 -2.13 0.00 7.27 -1.26 -4.82 117.38 116.85 2buu n GLN 310 Ca 0.14 0.79 -0.42 0.00 0.07 0.00 0.00 57.00 57.59 2buu n GLN 310 Cb 0.49 -2.61 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 2buu n GLN 310 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2buu s ARG 311 N -2.41 4.32 -0.65 3.69 3.52 -1.26 -4.94 118.95 121.22 2buu s ARG 311 Ca 0.61 2.14 -0.25 0.00 -0.13 0.00 0.00 55.73 58.09 2buu s ARG 311 Cb -0.46 -3.20 0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2buu s ARG 311 CO 0.58 -0.41 1.11 1.21 -0.81 0.00 0.00 175.30 176.98 2buu s ASN 312 N 0.82 6.26 0.59 -2.12 3.04 -1.26 -4.88 114.94 117.38 2buu s ASN 312 Ca 0.63 -0.45 0.33 0.00 0.04 0.00 0.00 52.86 53.40 2buu s ASN 312 Cb -0.38 -2.50 1.86 0.00 -1.54 0.00 0.00 41.25 38.70 2buu s ASN 312 CO 0.34 -1.53 2.23 0.71 -3.04 0.00 0.00 177.10 175.81 2buu h THR 313 N 6.04 0.40 0.00 -5.21 1.35 -1.94 -0.66 112.91 112.89 2buu h THR 313 Ca -0.27 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2buu h THR 313 Cb 1.06 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2buu h THR 313 CO 1.19 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 175.87 2buu n GLU 314 N -3.61 0.11 -0.14 4.72 1.02 -1.26 -2.64 120.64 118.84 2buu n GLU 314 Ca -0.03 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2buu n GLU 314 Cb 0.12 -1.67 0.29 0.00 -0.02 0.00 0.00 31.44 30.16 2buu n GLU 314 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2buu n ASP 315 N -1.87 2.40 -4.31 1.62 8.00 -0.25 -4.70 116.55 117.44 2buu n ASP 315 Ca 0.05 -1.86 -0.17 0.00 0.71 0.00 0.00 54.79 53.52 2buu n ASP 315 Cb 0.29 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 2buu n ASP 315 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2buu s HIS 316 N -1.62 1.51 0.75 1.24 3.76 -1.08 -4.92 115.29 114.92 2buu s HIS 316 Ca 0.34 -0.87 -0.12 0.00 -0.15 0.00 0.00 55.06 54.27 2buu s HIS 316 Cb 0.19 -0.85 0.05 0.00 1.11 0.00 0.00 32.58 33.08 2buu s HIS 316 CO 0.27 0.01 1.10 -1.25 -0.85 0.00 0.00 174.74 174.02 2buu s PRO 317 N -3.82 2.33 0.66 8.40 0.04 -1.26 -4.49 135.00 136.86 2buu s PRO 317 Ca 0.25 1.27 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 2buu s PRO 317 Cb 0.05 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2buu s PRO 317 CO 0.07 -1.60 1.03 -1.25 0.04 0.00 0.00 177.00 175.29 2buu s PRO 318 N -4.63 2.98 0.12 0.56 0.04 -1.26 -4.99 135.00 127.82 2buu s PRO 318 Ca 0.63 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 2buu s PRO 318 Cb -0.19 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 2buu s PRO 318 CO 0.52 -0.86 1.38 0.00 0.04 0.00 0.00 177.00 178.07 2buu h ALA 319 N -0.46 0.42 -2.45 8.56 0.00 -1.96 -3.41 119.26 119.96 2buu h ALA 319 Ca -0.45 -0.54 -0.64 0.00 0.00 0.00 0.00 54.91 53.28 2buu h ALA 319 Cb 1.25 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2buu h ALA 319 CO 0.63 0.68 -0.01 -0.47 0.00 0.00 0.00 179.25 180.08 2buu s TYR 320 N -4.02 3.19 -0.35 0.00 5.04 -1.26 -4.73 117.35 115.22 2buu s TYR 320 Ca -0.11 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.83 2buu s TYR 320 Cb 0.10 -2.92 0.14 0.00 0.35 0.00 0.00 41.96 39.63 2buu s TYR 320 CO 0.90 -0.50 0.28 0.00 -1.34 0.00 0.00 175.55 174.88 2buu s ALA 321 N 2.43 0.24 0.57 3.97 0.00 -1.26 -5.03 121.76 122.68 2buu s ALA 321 Ca 0.20 -1.34 0.30 0.00 0.00 0.00 0.00 51.96 51.12 2buu s ALA 321 Cb -0.15 -1.79 1.46 0.00 0.00 0.00 0.00 23.12 22.64 2buu s ALA 321 CO 0.13 -2.07 1.88 -1.00 0.00 0.00 0.00 175.76 174.70 2buu h PRO 322 N 7.21 0.00 0.00 0.00 0.13 -1.94 0.79 132.00 138.19 2buu h PRO 322 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2buu h PRO 322 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2buu h PRO 322 CO 0.25 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.80 2buu h GLY 323 N 0.00 0.00 -7.55 1.56 0.00 -1.96 -3.26 103.07 91.87 2buu h GLY 323 Ca 0.31 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.93 2buu h GLY 323 CO -0.00 0.00 -0.35 -0.47 0.00 0.00 0.00 176.54 175.72 2buu s TYR 324 N -3.75 3.46 0.35 5.60 5.04 0.27 -4.92 117.35 123.40 2buu s TYR 324 Ca 0.00 -2.57 0.12 0.00 -2.44 0.00 0.00 57.07 52.18 2buu s TYR 324 Cb 0.10 -3.27 0.91 0.00 0.35 0.00 0.00 41.96 40.05 2buu s TYR 324 CO 0.51 -0.88 1.79 0.87 -1.34 0.00 0.00 175.55 176.50 2buu h LYS 325 N 7.29 0.57 0.00 4.97 1.57 -1.77 -0.96 116.57 128.24 2buu h LYS 325 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2buu h LYS 325 Cb 0.98 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2buu h LYS 325 CO 0.72 0.38 0.00 0.25 -0.57 0.00 0.00 179.45 180.23 2buu n THR 326 N -4.68 0.90 0.50 -0.16 -2.24 -1.26 -1.75 114.28 105.59 2buu n THR 326 Ca 0.23 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.37 2buu n THR 326 Cb 0.69 -1.08 0.43 0.00 -2.10 0.00 0.00 70.33 68.26 2buu n THR 326 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2buu h SER 327 N 0.00 0.00 -0.82 3.42 4.64 -1.46 -3.25 113.55 116.08 2buu h SER 327 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2buu h SER 327 Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 2buu h SER 327 CO 0.00 0.00 0.44 0.58 -0.87 0.00 0.00 176.83 176.98 2buu h VAL 328 N 0.00 1.24 -0.01 0.95 2.07 -1.50 -2.81 116.25 116.18 2buu h VAL 328 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2buu h VAL 328 Cb 0.63 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2buu h VAL 328 CO 0.00 0.28 -0.60 0.18 0.02 0.00 0.00 177.57 177.45 2buu n LEU 329 N -4.34 1.78 -0.83 2.57 4.77 -1.24 -4.37 117.00 115.34 2buu n LEU 329 Ca 0.09 -0.69 0.03 0.00 -0.03 0.00 0.00 56.01 55.40 2buu n LEU 329 Cb 0.10 -0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 2buu n LEU 329 CO 0.39 0.35 0.64 0.54 -1.33 0.00 0.00 177.39 177.97 2buu n ARG 330 N -0.38 2.02 -5.15 3.23 1.74 -1.11 -4.98 116.66 112.04 2buu n ARG 330 Ca 0.08 -3.00 -0.29 0.00 -0.77 0.00 0.00 57.85 53.87 2buu n ARG 330 Cb 0.44 -1.75 -0.16 0.00 -1.02 0.00 0.00 32.46 29.97 2buu n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2buu s SER 331 N -2.51 2.73 0.56 0.55 1.04 -1.08 -4.96 113.70 110.03 2buu s SER 331 Ca 0.41 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 56.22 2buu s SER 331 Cb 0.36 -0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2buu s SER 331 CO 0.02 0.28 1.20 -2.84 0.98 0.00 0.00 173.24 172.88 2buu s PRO 332 N -0.50 3.15 -0.01 4.02 0.02 -1.26 -4.93 135.00 135.49 2buu s PRO 332 Ca 0.08 1.81 0.10 0.00 0.02 0.00 0.00 61.00 63.01 2buu s PRO 332 Cb -0.09 -2.02 -0.23 0.00 0.02 0.00 0.00 34.50 32.18 2buu s PRO 332 CO -0.01 -1.06 0.79 1.57 -0.33 0.00 0.00 177.00 177.96 2buu h LYS 333 N 1.12 0.02 -7.07 5.54 5.09 -1.99 -3.47 116.57 115.81 2buu h LYS 333 Ca -0.50 -0.03 -0.45 0.00 0.09 0.00 0.00 60.65 59.76 2buu h LYS 333 Cb 1.29 0.01 -0.00 0.00 0.10 0.00 0.00 32.23 33.62 2buu h LYS 333 CO 0.56 0.64 0.36 -0.80 -2.09 0.00 0.00 179.45 178.12 2buu s ASN 334 N -6.27 6.70 0.68 7.07 0.01 -1.26 -5.03 114.94 116.84 2buu s ASN 334 Ca -0.04 1.78 -0.15 0.00 -0.71 0.00 0.00 52.86 53.73 2buu s ASN 334 Cb 0.08 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.21 2buu s ASN 334 CO 0.82 -0.53 1.15 0.00 -1.51 0.00 0.00 177.10 177.04 2buu s ALA 335 N -2.12 2.33 0.50 0.60 0.00 -1.26 -4.98 121.76 116.83 2buu s ALA 335 Ca 0.64 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 2buu s ALA 335 Cb -0.12 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2buu s ALA 335 CO 0.16 -1.51 1.25 -0.51 0.00 0.00 0.00 175.76 175.16 2buu s LEU 336 N -4.91 3.93 -0.29 0.00 1.43 -1.26 -4.97 118.68 112.60 2buu s LEU 336 Ca 0.71 2.51 -0.16 0.00 -1.03 0.00 0.00 54.13 56.16 2buu s LEU 336 Cb -0.25 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2buu s LEU 336 CO 0.42 -1.22 0.41 -0.63 0.23 0.00 0.00 176.35 175.56 2buu s ILE 337 N -1.44 5.13 0.14 -0.59 1.01 -1.26 -5.05 121.20 119.14 2buu s ILE 337 Ca 0.67 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.51 2buu s ILE 337 Cb -0.34 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2buu s ILE 337 CO 0.40 0.04 0.97 -0.44 0.00 0.00 0.00 174.94 175.91 2buu s SER 338 N 1.66 7.51 0.26 3.58 0.01 -1.26 -5.06 113.70 120.40 2buu s SER 338 Ca 0.16 1.85 0.11 0.00 1.31 0.00 0.00 55.95 59.37 2buu s SER 338 Cb -0.16 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 2buu s SER 338 CO 0.11 -0.03 -0.18 0.27 0.41 0.00 0.00 173.24 173.81 2buu s ILE 339 N -0.25 2.25 0.24 1.44 -4.36 -1.26 -5.12 121.20 114.15 2buu s ILE 339 Ca 0.46 -2.35 -0.28 0.00 -0.26 0.00 0.00 60.65 58.23 2buu s ILE 339 Cb -0.24 -2.22 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 2buu s ILE 339 CO 0.31 -0.46 0.89 0.00 0.24 0.00 0.00 174.94 175.92 2buu s ALA 340 N -2.64 3.34 0.47 2.27 0.00 -1.26 -5.00 121.76 118.94 2buu s ALA 340 Ca 0.28 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.54 2buu s ALA 340 Cb -0.04 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 2buu s ALA 340 CO 0.12 0.23 1.04 -1.21 0.00 0.00 0.00 175.76 175.94 2buu s GLU 341 N -1.40 3.86 0.30 0.00 2.02 -1.26 -5.06 118.70 117.15 2buu s GLU 341 Ca 0.42 1.39 0.02 0.00 0.02 0.00 0.00 54.97 56.81 2buu s GLU 341 Cb -0.23 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 2buu s GLU 341 CO 0.28 -0.39 0.05 0.25 0.02 0.00 0.00 175.26 175.48 2buu n THR 342 N -0.81 0.00 -0.15 3.63 -2.24 -1.26 -4.86 114.28 108.58 2buu n THR 342 Ca 0.09 -1.56 0.20 0.00 -2.27 0.00 0.00 64.05 60.50 2buu n THR 342 Cb 0.52 0.46 0.59 0.00 -2.10 0.00 0.00 70.33 69.80 2buu n THR 342 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2buu h LEU 343 N 0.00 0.23 -1.05 3.22 3.38 -1.98 -1.74 115.31 117.37 2buu h LEU 343 Ca -0.24 0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2buu h LEU 343 Cb 0.81 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2buu h LEU 343 CO 0.38 0.10 0.63 0.28 0.09 0.00 0.00 178.44 179.93 2buu h SER 344 N 0.23 1.00 1.00 -0.43 0.02 -1.95 -2.71 113.55 110.71 2buu h SER 344 Ca 0.38 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.25 2buu h SER 344 Cb 1.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2buu h SER 344 CO -0.09 0.64 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.86 2buu h GLU 345 N 1.14 0.00 -0.15 3.45 3.07 -1.72 -3.35 114.58 117.03 2buu h GLU 345 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2buu h GLU 345 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2buu h GLU 345 CO -0.17 0.21 0.00 1.33 -1.40 0.00 0.00 179.01 178.99 2buu n VAL 346 N -2.89 0.17 -3.69 3.13 0.24 -1.05 -1.60 118.33 112.64 2buu n VAL 346 Ca -0.04 -0.52 -0.21 0.00 -2.04 0.00 0.00 64.34 61.53 2buu n VAL 346 Cb 0.72 1.10 -0.04 0.00 -1.47 0.00 0.00 33.84 34.15 2buu n VAL 346 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2buu s THR 347 N -1.83 2.78 0.01 3.34 -4.23 -1.04 -4.27 115.64 110.40 2buu s THR 347 Ca 0.33 -1.40 -0.28 0.00 -1.18 0.00 0.00 61.69 59.16 2buu s THR 347 Cb 0.21 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 71.12 2buu s THR 347 CO 0.31 -0.04 0.86 0.00 -0.54 0.00 0.00 174.62 175.21 2buu s ALA 348 N -2.46 -1.80 1.01 3.99 0.00 -1.20 0.07 121.76 121.37 2buu s ALA 348 Ca 0.46 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 2buu s ALA 348 Cb -0.03 0.46 0.19 0.00 0.00 0.00 0.00 23.12 23.75 2buu s ALA 348 CO 0.27 -0.70 1.09 -1.25 0.00 0.00 0.00 175.76 175.17 2buu s PRO 349 N -3.18 0.34 -0.08 0.00 0.04 -1.26 -4.95 135.00 125.90 2buu s PRO 349 Ca 0.05 0.55 0.03 0.00 0.04 0.00 0.00 61.00 61.66 2buu s PRO 349 Cb -0.01 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.81 2buu s PRO 349 CO -0.09 -2.80 -0.17 -1.01 0.04 0.00 0.00 177.00 172.97 2buu s HIS 350 N -2.93 1.87 0.02 0.56 3.76 -1.26 -4.90 115.29 112.41 2buu s HIS 350 Ca 0.65 -0.72 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 2buu s HIS 350 Cb -0.19 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 2buu s HIS 350 CO 0.58 -0.33 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.02 2buu s PHE 351 N 0.53 2.87 -0.12 1.40 0.08 -1.26 -5.11 117.98 116.37 2buu s PHE 351 Ca -0.16 -0.05 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 2buu s PHE 351 Cb -0.17 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2buu s PHE 351 CO 0.06 0.38 0.03 -1.54 -0.10 0.00 0.00 175.22 174.05 2buu s SER 352 N -1.54 5.46 0.56 1.36 1.04 -1.26 -4.98 113.70 114.34 2buu s SER 352 Ca 0.18 0.15 0.25 0.00 0.48 0.00 0.00 55.95 57.01 2buu s SER 352 Cb -0.11 -1.71 1.54 0.00 0.10 0.00 0.00 66.02 65.84 2buu s SER 352 CO 0.09 0.32 2.12 0.00 0.98 0.00 0.00 173.24 176.75 2buu h ALA 353 N 5.63 1.93 -0.90 5.32 0.00 -1.99 -2.64 119.26 126.60 2buu h ALA 353 Ca -0.46 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 54.66 2buu h ALA 353 Cb 1.19 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2buu h ALA 353 CO 0.59 -0.23 0.61 -0.44 0.00 0.00 0.00 179.25 179.79 2buu h ASP 354 N 0.00 0.28 1.70 0.00 3.32 -2.03 -1.03 116.42 118.66 2buu h ASP 354 Ca 0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2buu h ASP 354 Cb 0.36 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2buu h ASP 354 CO -0.00 0.10 0.00 0.11 -1.72 0.00 0.00 179.24 177.73 2buu h LYS 355 N 0.28 0.00 -6.71 3.56 1.57 -1.90 -3.46 116.57 109.91 2buu h LYS 355 Ca 0.46 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.74 2buu h LYS 355 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2buu h LYS 355 CO -0.13 0.00 0.40 -0.06 -0.57 0.00 0.00 179.45 179.08 2buu s PHE 356 N -3.27 3.81 0.68 -1.35 0.40 -0.39 -5.06 117.98 112.80 2buu s PHE 356 Ca 0.07 1.80 -0.11 0.00 -0.60 0.00 0.00 56.93 58.08 2buu s PHE 356 Cb 0.07 -3.10 -0.00 0.00 0.51 0.00 0.00 43.02 40.49 2buu s PHE 356 CO 0.63 0.03 1.07 0.20 0.70 0.00 0.00 175.22 177.85 2buu s GLY 357 N -0.69 1.64 0.52 4.36 0.00 -1.26 -4.97 107.32 106.92 2buu s GLY 357 Ca 0.44 -0.23 0.25 0.00 0.00 0.00 0.00 44.72 45.18 2buu s GLY 357 CO 0.34 0.10 2.09 -0.56 0.00 0.00 0.00 173.10 175.06 2buu h PRO 358 N -0.56 0.00 -0.54 2.90 0.13 -1.98 -2.80 132.00 129.15 2buu h PRO 358 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2buu h PRO 358 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2buu h PRO 358 CO 0.63 0.11 0.00 1.63 -0.23 0.00 0.00 178.00 180.14 2buu n LYS 359 N -3.80 2.87 0.18 0.86 5.02 -1.26 -4.63 118.16 117.39 2buu n LYS 359 Ca -0.02 -2.40 0.14 0.00 -2.02 0.00 0.00 58.31 54.01 2buu n LYS 359 Cb 0.21 -1.46 0.73 0.00 -0.02 0.00 0.00 35.03 34.50 2buu n LYS 359 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2buu h ASP 360 N 3.15 0.00 -0.52 4.39 5.19 -1.79 -0.69 116.42 126.15 2buu h ASP 360 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2buu h ASP 360 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 2buu h ASP 360 CO 0.02 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 175.68 2buu n ASN 361 N -4.24 4.92 -3.89 6.45 6.94 -1.20 -1.33 115.26 122.91 2buu n ASN 361 Ca 0.02 -2.75 -0.30 0.00 -0.02 0.00 0.00 54.58 51.53 2buu n ASN 361 Cb 0.29 -0.60 -0.14 0.00 -2.36 0.00 0.00 39.78 36.98 2buu n ASN 361 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2buu s ASP 362 N -1.08 4.14 0.01 0.53 -1.08 -0.27 -1.76 116.67 117.17 2buu s ASP 362 Ca 0.49 -2.88 0.22 0.00 -0.52 0.00 0.00 52.55 49.86 2buu s ASP 362 Cb 0.36 -1.47 0.92 0.00 -1.46 0.00 0.00 42.92 41.27 2buu s ASP 362 CO 0.17 -0.24 1.70 0.18 0.52 0.00 0.00 175.17 177.49 2buu n LEU 363 N 3.26 0.05 0.07 -1.34 4.32 -0.12 -0.34 117.00 122.89 2buu n LEU 363 Ca 0.06 0.51 -0.20 0.00 -0.02 0.00 0.00 56.01 56.36 2buu n LEU 363 Cb 0.33 -0.50 -0.11 0.00 -1.62 0.00 0.00 43.42 41.52 2buu n LEU 363 CO 0.31 -0.14 0.02 0.40 -1.22 0.00 0.00 177.39 176.75 2buu h ILE 364 N 0.00 1.31 0.00 -0.08 2.04 -1.88 -3.39 117.51 115.51 2buu h ILE 364 Ca 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 2buu h ILE 364 Cb 0.38 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2buu h ILE 364 CO 0.00 0.74 -1.51 0.18 0.00 0.00 0.00 178.15 177.56 2buu n LEU 365 N -3.79 0.16 0.00 1.44 4.77 -0.98 -4.44 117.00 114.16 2buu n LEU 365 Ca -0.12 -0.11 0.07 0.00 -0.03 0.00 0.00 56.01 55.82 2buu n LEU 365 Cb 0.93 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.32 2buu n LEU 365 CO 0.56 0.04 0.72 -0.46 -1.33 0.00 0.00 177.39 176.92 2buu n ASN 366 N -1.90 0.02 0.00 -1.43 0.23 0.54 -1.86 115.26 110.87 2buu n ASN 366 Ca -0.02 0.51 0.00 0.00 -0.53 0.00 0.00 54.58 54.54 2buu n ASN 366 Cb 0.37 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 2buu n ASN 366 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2buu n TYR 367 N -1.53 0.00 -2.27 -2.53 9.36 -1.26 -5.01 117.16 113.93 2buu n TYR 367 Ca 0.03 -0.18 -0.42 0.00 3.32 0.00 0.00 57.90 60.65 2buu n TYR 367 Cb 0.16 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.82 2buu n TYR 367 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2buu s ALA 368 N -0.36 3.51 -0.00 2.98 0.00 -0.78 -4.43 121.76 122.68 2buu s ALA 368 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 2buu s ALA 368 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2buu s ALA 368 CO 0.00 -0.55 -0.04 1.63 0.00 0.00 0.00 175.76 176.80 2buu n LYS 369 N 3.97 0.06 0.00 0.00 4.76 -1.26 -4.88 118.16 120.80 2buu n LYS 369 Ca 0.11 0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.67 2buu n LYS 369 Cb 0.44 -0.38 -0.01 0.00 -1.84 0.00 0.00 35.03 33.24 2buu n LYS 369 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2buu n ASP 370 N -2.87 1.94 -1.17 4.39 8.00 -1.26 -5.04 116.55 120.54 2buu n ASP 370 Ca -0.02 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.02 2buu n ASP 370 Cb 0.06 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2buu n ASP 370 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buu n GLY 371 N 1.37 0.37 3.86 0.44 0.00 -1.26 -5.15 105.19 104.82 2buu n GLY 371 Ca 0.09 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2buu n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buu s LEU 372 N 0.00 3.96 0.66 0.99 1.43 -1.26 -4.77 118.68 119.69 2buu s LEU 372 Ca 0.02 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 2buu s LEU 372 Cb -0.00 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2buu s LEU 372 CO -0.00 -0.29 1.12 -2.16 0.23 0.00 0.00 176.35 175.25 2buu s PRO 373 N -3.37 2.75 0.03 1.29 0.04 -1.26 -4.88 135.00 129.59 2buu s PRO 373 Ca 0.53 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.78 2buu s PRO 373 Cb -0.10 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2buu s PRO 373 CO 0.24 -1.30 0.68 0.42 0.04 0.00 0.00 177.00 177.08 2buu s ILE 374 N -2.28 4.80 -5.00 0.56 -1.09 -1.26 -4.99 121.20 111.95 2buu s ILE 374 Ca 0.68 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 60.55 2buu s ILE 374 Cb -0.22 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2buu s ILE 374 CO 0.41 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 2buu n GLY 375 N 2.38 0.50 3.63 6.18 0.00 -1.26 -4.43 105.19 112.19 2buu n GLY 375 Ca -0.05 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 2buu n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buu s GLU 376 N -1.24 4.03 -0.04 1.61 2.02 -1.26 -4.90 118.70 118.92 2buu s GLU 376 Ca 0.00 0.88 -0.30 0.00 0.02 0.00 0.00 54.97 55.57 2buu s GLU 376 Cb 0.00 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 2buu s GLU 376 CO 0.00 -0.79 1.55 1.03 0.02 0.00 0.00 175.26 177.07 2buu s ARG 377 N 3.32 4.21 -0.02 1.61 0.52 -1.26 -0.72 118.95 126.62 2buu s ARG 377 Ca 0.40 2.08 -0.05 0.00 -0.52 0.00 0.00 55.73 57.64 2buu s ARG 377 Cb -0.13 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.52 2buu s ARG 377 CO 0.13 -0.76 0.12 0.14 0.02 0.00 0.00 175.30 174.95 2buu s VAL 378 N 3.46 0.05 -0.04 3.52 -7.23 -0.65 -1.83 120.40 117.67 2buu s VAL 378 Ca 0.69 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 60.45 2buu s VAL 378 Cb -0.32 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 2buu s VAL 378 CO 0.27 -0.22 0.01 -0.63 -0.31 0.00 0.00 175.10 174.22 2buu s ILE 379 N -0.74 4.29 -0.04 -0.62 1.01 -0.12 -0.51 121.20 124.47 2buu s ILE 379 Ca -0.08 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2buu s ILE 379 Cb -0.05 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 2buu s ILE 379 CO 0.01 0.49 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 2buu s VAL 380 N -0.99 1.24 0.21 2.92 1.01 -0.42 -0.85 120.40 123.52 2buu s VAL 380 Ca 0.17 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2buu s VAL 380 Cb -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2buu s VAL 380 CO 0.06 0.36 0.42 -1.38 0.00 0.00 0.00 175.10 174.57 2buu s HIS 381 N 0.12 0.29 -2.96 5.22 -3.43 -0.68 -1.54 115.29 112.31 2buu s HIS 381 Ca -0.04 -0.64 0.00 0.00 -0.80 0.00 0.00 55.06 53.57 2buu s HIS 381 Cb -0.11 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 2buu s HIS 381 CO 0.02 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.28 2buu n GLY 382 N -0.32 -0.82 3.16 -1.38 0.00 -0.93 -0.95 105.19 103.96 2buu n GLY 382 Ca -0.05 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 2buu n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2buu s TYR 383 N -3.00 1.38 -0.19 1.61 1.51 -1.25 -1.08 117.35 116.33 2buu s TYR 383 Ca 0.00 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2buu s TYR 383 Cb 0.00 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 2buu s TYR 383 CO 0.00 0.03 -0.00 0.08 -1.11 0.00 0.00 175.55 174.55 2buu s VAL 384 N -0.72 4.01 0.18 0.71 1.01 0.17 -1.17 120.40 124.60 2buu s VAL 384 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2buu s VAL 384 Cb -0.08 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2buu s VAL 384 CO 0.01 0.45 0.02 -0.13 0.00 0.00 0.00 175.10 175.45 2buu s ARG 385 N 0.77 1.13 0.59 2.72 0.52 -0.38 -1.65 118.95 122.65 2buu s ARG 385 Ca 0.00 -1.55 0.04 0.00 -0.52 0.00 0.00 55.73 53.70 2buu s ARG 385 Cb -0.14 -0.22 0.08 0.00 0.52 0.00 0.00 34.95 35.19 2buu s ARG 385 CO 0.02 -0.16 0.82 0.16 0.02 0.00 0.00 175.30 176.16 2buu s ASP 386 N -3.18 4.97 0.34 0.23 1.47 -0.06 -0.85 116.67 119.59 2buu s ASP 386 Ca 0.26 -0.48 0.24 0.00 1.18 0.00 0.00 52.55 53.75 2buu s ASP 386 Cb 0.06 -0.16 1.23 0.00 -0.34 0.00 0.00 42.92 43.71 2buu s ASP 386 CO 0.05 -1.39 1.72 0.06 0.68 0.00 0.00 175.17 176.29 2buu h GLN 387 N -0.00 0.00 -0.63 2.11 3.07 -1.01 0.17 115.11 118.81 2buu h GLN 387 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 2buu h GLN 387 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2buu h GLN 387 CO 0.43 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.54 2buu n PHE 388 N -2.32 0.85 -0.95 0.06 3.72 -1.26 -4.94 117.46 112.61 2buu n PHE 388 Ca -0.01 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 2buu n PHE 388 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2buu n PHE 388 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2buu n GLY 389 N 1.53 0.62 3.80 1.37 0.00 0.59 -5.05 105.19 108.05 2buu n GLY 389 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2buu n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buu s ARG 390 N -0.05 4.43 0.54 1.61 0.52 -1.25 -4.72 118.95 120.03 2buu s ARG 390 Ca 0.00 1.17 -0.20 0.00 -0.52 0.00 0.00 55.73 56.18 2buu s ARG 390 Cb 0.00 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 2buu s ARG 390 CO 0.00 0.24 1.21 -1.25 0.02 0.00 0.00 175.30 175.52 2buu s PRO 391 N -2.28 3.27 -0.37 3.54 0.04 -1.26 -0.88 135.00 137.06 2buu s PRO 391 Ca 0.51 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 2buu s PRO 391 Cb -0.16 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2buu s PRO 391 CO 0.21 -0.97 0.21 0.08 0.04 0.00 0.00 177.00 176.56 2buu s VAL 392 N -1.56 4.63 -0.05 -0.36 1.01 -0.66 -4.78 120.40 118.62 2buu s VAL 392 Ca 0.72 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 2buu s VAL 392 Cb -0.30 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2buu s VAL 392 CO 0.35 -0.20 0.33 -0.54 0.00 0.00 0.00 175.10 175.05 2buu s LYS 393 N 1.57 3.86 -1.46 2.72 1.02 -1.26 -3.97 119.74 122.22 2buu s LYS 393 Ca 0.03 0.25 -0.11 0.00 0.02 0.00 0.00 55.97 56.15 2buu s LYS 393 Cb -0.19 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2buu s LYS 393 CO 0.07 0.64 1.04 0.09 -0.92 0.00 0.00 175.35 176.26 2buu n ASN 394 N 2.13 -5.55 -4.87 2.83 3.02 -0.43 -4.93 115.26 107.46 2buu n ASN 394 Ca -0.15 -0.64 -0.32 0.00 -0.03 0.00 0.00 54.58 53.44 2buu n ASN 394 Cb 0.53 -4.40 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 2buu n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2buu s ALA 395 N -3.29 3.47 -0.23 5.41 0.00 -1.26 -4.73 121.76 121.14 2buu s ALA 395 Ca 0.61 -0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 2buu s ALA 395 Cb -0.29 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 2buu s ALA 395 CO 0.75 0.42 0.68 -1.17 0.00 0.00 0.00 175.76 176.45 2buu s LEU 396 N -2.94 4.10 -0.19 0.00 2.96 0.15 -1.44 118.68 121.33 2buu s LEU 396 Ca 0.50 0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 55.23 2buu s LEU 396 Cb -0.11 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 2buu s LEU 396 CO 0.20 -0.37 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.09 2buu s VAL 397 N 2.36 3.16 -0.03 1.68 1.01 -0.14 -1.60 120.40 126.85 2buu s VAL 397 Ca 0.30 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2buu s VAL 397 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2buu s VAL 397 CO 0.09 0.47 -0.25 -1.61 0.00 0.00 0.00 175.10 173.80 2buu s GLU 398 N 1.10 2.21 0.13 2.72 2.02 -0.43 -1.58 118.70 124.87 2buu s GLU 398 Ca 0.01 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.15 2buu s GLU 398 Cb -0.15 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 2buu s GLU 398 CO -0.02 0.54 -0.13 0.14 0.02 0.00 0.00 175.26 175.82 2buu s VAL 399 N -0.56 1.29 0.01 2.63 -7.23 -0.60 -0.90 120.40 115.04 2buu s VAL 399 Ca 0.08 -1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 58.22 2buu s VAL 399 Cb -0.11 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.25 2buu s VAL 399 CO -0.00 -0.52 0.45 -1.66 -0.31 0.00 0.00 175.10 173.06 2buu s TRP 400 N -2.50 -0.34 0.20 2.82 -2.14 -0.90 -2.19 118.94 113.89 2buu s TRP 400 Ca 0.11 0.45 -0.23 0.00 2.66 0.00 0.00 56.10 59.09 2buu s TRP 400 Cb -0.03 0.24 0.06 0.00 -3.10 0.00 0.00 33.47 30.64 2buu s TRP 400 CO 0.03 -0.53 0.92 1.14 -2.66 0.00 0.00 176.95 175.84 2buu s GLN 401 N -1.88 1.41 0.69 3.25 -2.07 -0.51 -0.93 119.66 119.62 2buu s GLN 401 Ca -0.09 -0.82 -0.07 0.00 -1.82 0.00 0.00 55.36 52.56 2buu s GLN 401 Cb -0.02 0.45 0.05 0.00 -1.09 0.00 0.00 33.01 32.40 2buu s GLN 401 CO 0.02 -0.65 1.01 0.00 -1.32 0.00 0.00 175.29 174.35 2buu s ALA 402 N -3.09 3.15 0.74 2.60 0.00 -1.26 -4.62 121.76 119.27 2buu s ALA 402 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2buu s ALA 402 Cb -0.03 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2buu s ALA 402 CO 0.04 -1.23 0.00 0.27 0.00 0.00 0.00 175.76 174.85 2buu n ASN 403 N -2.89 0.00 0.15 0.00 2.04 -0.04 -4.47 115.26 110.06 2buu n ASN 403 Ca 0.07 -0.74 0.12 0.00 -0.44 0.00 0.00 54.58 53.60 2buu n ASN 403 Cb 0.60 0.00 0.53 0.00 -2.53 0.00 0.00 39.78 38.38 2buu n ASN 403 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2buu h ALA 404 N -1.44 1.00 -0.00 -2.53 0.00 -1.77 -1.08 119.26 113.42 2buu h ALA 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2buu h ALA 404 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2buu h ALA 404 CO 0.00 0.00 -0.33 0.43 0.00 0.00 0.00 179.25 179.35 2buu n SER 405 N -2.31 0.78 0.00 0.00 7.64 -1.26 -3.68 113.62 114.79 2buu n SER 405 Ca 0.01 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2buu n SER 405 Cb 0.20 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2buu n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2buu n GLY 406 N 1.40 0.40 3.53 0.23 0.00 -0.49 -4.74 105.19 105.51 2buu n GLY 406 Ca 0.10 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2buu n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2buu s ARG 407 N -3.08 3.60 0.07 1.61 6.06 -1.26 -4.69 118.95 121.26 2buu s ARG 407 Ca 0.00 -0.50 -0.11 0.00 -2.50 0.00 0.00 55.73 52.62 2buu s ARG 407 Cb 0.00 -2.91 -0.06 0.00 0.06 0.00 0.00 34.95 32.04 2buu s ARG 407 CO 0.00 0.30 0.41 0.71 -2.50 0.00 0.00 175.30 174.22 2buu s TYR 408 N 0.20 3.61 -1.08 5.12 2.02 -1.26 -0.86 117.35 125.11 2buu s TYR 408 Ca -0.01 0.84 -0.16 0.00 -0.37 0.00 0.00 57.07 57.37 2buu s TYR 408 Cb -0.14 -2.20 0.15 0.00 -0.40 0.00 0.00 41.96 39.37 2buu s TYR 408 CO 0.03 0.54 1.30 0.50 -1.57 0.00 0.00 175.55 176.34 2buu s ARG 409 N -1.76 3.85 -0.17 -0.62 3.52 -1.26 -4.81 118.95 117.71 2buu s ARG 409 Ca 0.32 -2.16 -0.14 0.00 -0.13 0.00 0.00 55.73 53.62 2buu s ARG 409 Cb -0.14 -5.01 0.05 0.00 -1.56 0.00 0.00 34.95 28.28 2buu s ARG 409 CO 0.17 -1.79 0.44 -1.58 -0.81 0.00 0.00 175.30 171.73 2buu s HIS 410 N 2.23 -0.52 0.50 5.12 2.46 -1.26 -5.04 115.29 118.78 2buu s HIS 410 Ca 0.38 1.22 0.24 0.00 0.47 0.00 0.00 55.06 57.37 2buu s HIS 410 Cb -0.03 0.20 1.32 0.00 -0.13 0.00 0.00 32.58 33.93 2buu s HIS 410 CO -0.04 -0.26 1.95 -1.35 -2.47 0.00 0.00 174.74 172.57 2buu h PRO 411 N 5.85 0.11 -0.14 2.88 0.11 -2.07 -1.97 132.00 136.78 2buu h PRO 411 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2buu h PRO 411 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2buu h PRO 411 CO 0.24 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.20 2buu n ASN 412 N -4.39 1.86 -4.63 -2.05 5.03 -1.26 -4.83 115.26 104.99 2buu n ASN 412 Ca 0.13 -1.69 -0.39 0.00 0.87 0.00 0.00 54.58 53.49 2buu n ASN 412 Cb 0.66 -0.08 -0.08 0.00 -1.02 0.00 0.00 39.78 39.26 2buu n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2buu s ASP 413 N -1.71 6.44 -0.13 6.41 2.15 -0.74 -4.94 116.67 124.15 2buu s ASP 413 Ca 0.34 0.52 0.16 0.00 0.43 0.00 0.00 52.55 54.00 2buu s ASP 413 Cb 0.19 -2.27 0.37 0.00 -0.30 0.00 0.00 42.92 40.91 2buu s ASP 413 CO 0.29 -0.23 1.26 0.00 -0.17 0.00 0.00 175.17 176.32 2buu n GLN 414 N 5.23 2.27 -2.02 4.34 1.13 -1.26 -4.88 117.38 122.19 2buu n GLN 414 Ca -0.05 -2.55 -0.38 0.00 -1.94 0.00 0.00 57.00 52.08 2buu n GLN 414 Cb 0.50 -1.58 0.02 0.00 0.11 0.00 0.00 30.24 29.29 2buu n GLN 414 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2buu s TYR 415 N -2.52 2.57 -0.85 1.08 5.04 -1.26 -4.89 117.35 116.51 2buu s TYR 415 Ca 0.33 1.46 0.20 0.00 -2.44 0.00 0.00 57.07 56.61 2buu s TYR 415 Cb 0.27 -3.59 0.81 0.00 0.35 0.00 0.00 41.96 39.80 2buu s TYR 415 CO 0.06 -2.21 1.61 0.44 -1.34 0.00 0.00 175.55 174.12 2buu n ILE 416 N -0.79 0.78 -1.62 3.14 -5.35 -1.26 -4.80 119.36 109.46 2buu n ILE 416 Ca 0.09 0.17 -0.45 0.00 -0.27 0.00 0.00 62.75 62.29 2buu n ILE 416 Cb 0.47 -0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 37.41 2buu n ILE 416 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2buu n GLY 417 N 0.31 0.13 3.77 3.28 0.00 -1.26 -4.86 105.19 106.55 2buu n GLY 417 Ca 0.04 0.38 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 2buu n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buu s ALA 418 N -0.79 3.11 0.48 4.61 0.00 -1.26 -4.73 121.76 123.18 2buu s ALA 418 Ca 0.61 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 2buu s ALA 418 Cb -0.69 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 2buu s ALA 418 CO 0.58 -0.54 1.01 -1.64 0.00 0.00 0.00 175.76 175.17 2buu s MET 419 N -2.41 3.88 -0.28 0.00 -1.94 -1.26 -4.58 119.30 112.71 2buu s MET 419 Ca 0.59 1.27 0.02 0.00 -1.71 0.00 0.00 55.69 55.85 2buu s MET 419 Cb -0.29 -2.11 0.06 0.00 2.01 0.00 0.00 34.83 34.49 2buu s MET 419 CO 0.37 -0.35 -0.07 0.34 -0.01 0.00 0.00 175.02 175.30 2buu s ASP 420 N -2.15 4.60 0.38 3.03 -1.08 -1.26 -4.99 116.67 115.20 2buu s ASP 420 Ca 0.65 -1.44 0.22 0.00 -0.52 0.00 0.00 52.55 51.47 2buu s ASP 420 Cb -0.14 -1.60 1.22 0.00 -1.46 0.00 0.00 42.92 40.94 2buu s ASP 420 CO 0.20 -0.23 1.66 1.55 0.52 0.00 0.00 175.17 178.87 2buu h PRO 421 N 7.82 0.00 -0.56 4.34 0.13 -1.98 -1.48 132.00 140.27 2buu h PRO 421 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2buu h PRO 421 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2buu h PRO 421 CO 0.49 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.35 2buu n ASN 422 N -2.33 3.90 -4.09 1.44 4.13 -1.26 -4.67 115.26 112.37 2buu n ASN 422 Ca -0.01 -2.22 -0.25 0.00 1.68 0.00 0.00 54.58 53.78 2buu n ASN 422 Cb 0.13 -0.45 -0.16 0.00 -1.54 0.00 0.00 39.78 37.77 2buu n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2buu s PHE 423 N -1.40 1.52 -0.25 3.10 5.36 -0.56 -3.43 117.98 122.32 2buu s PHE 423 Ca 0.42 -0.46 -0.14 0.00 -0.96 0.00 0.00 56.93 55.79 2buu s PHE 423 Cb 0.25 -1.05 -0.10 0.00 -0.34 0.00 0.00 43.02 41.77 2buu s PHE 423 CO 0.24 -0.18 -0.34 0.41 -1.46 0.00 0.00 175.22 173.89 2buu n GLY 424 N 3.30 -0.44 0.00 13.12 0.00 -1.26 -4.77 105.19 115.14 2buu n GLY 424 Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2buu n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buu n GLY 425 N 1.38 1.01 3.12 -0.02 0.00 -1.26 -4.50 105.19 104.93 2buu n GLY 425 Ca -0.46 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2buu n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buu s GLY 427 N -2.01 -0.02 0.17 0.00 0.00 -0.93 -4.77 107.32 99.76 2buu s GLY 427 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 44.72 44.10 2buu s GLY 427 CO 0.00 -0.12 0.66 1.09 0.00 0.00 0.00 173.10 174.73 2buu s ARG 428 N -3.63 1.34 0.12 2.90 1.70 -0.45 -1.56 118.95 119.38 2buu s ARG 428 Ca 0.12 -0.56 -0.26 0.00 -0.47 0.00 0.00 55.73 54.56 2buu s ARG 428 Cb -0.06 0.57 0.07 0.00 -0.57 0.00 0.00 34.95 34.96 2buu s ARG 428 CO 0.08 -0.59 0.92 0.00 -1.08 0.00 0.00 175.30 174.62 2buu s MET 429 N -3.72 1.15 -0.04 3.89 0.23 -0.61 -3.24 119.30 116.95 2buu s MET 429 Ca 0.04 -0.59 0.03 0.00 -1.03 0.00 0.00 55.69 54.14 2buu s MET 429 Cb -0.02 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.67 2buu s MET 429 CO -0.08 -0.52 -0.12 -0.51 -2.03 0.00 0.00 175.02 171.76 2buu s LEU 430 N -2.83 2.88 0.56 0.18 1.43 -1.26 -0.96 118.68 118.67 2buu s LEU 430 Ca 0.10 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 2buu s LEU 430 Cb -0.02 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 2buu s LEU 430 CO -0.01 0.34 1.10 0.42 0.23 0.00 0.00 176.35 178.43 2buu s THR 431 N -0.79 3.38 0.00 5.49 -4.23 -0.52 -4.87 115.64 114.09 2buu s THR 431 Ca 0.12 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2buu s THR 431 Cb -0.11 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2buu s THR 431 CO 0.02 -0.25 0.00 -0.90 -0.54 0.00 0.00 174.62 172.95 2buu n ASP 432 N -1.52 0.00 0.04 3.99 5.68 -0.90 -1.31 116.55 122.54 2buu n ASP 432 Ca 0.11 -0.85 0.09 0.00 -0.50 0.00 0.00 54.79 53.64 2buu n ASP 432 Cb 0.52 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.89 2buu n ASP 432 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2buu n ASP 433 N -2.54 0.24 -1.12 -1.12 8.00 -1.26 -1.07 116.55 117.68 2buu n ASP 433 Ca 0.00 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.17 2buu n ASP 433 Cb 0.00 -0.61 0.19 0.00 -0.02 0.00 0.00 41.12 40.69 2buu n ASP 433 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2buu n ASN 434 N -1.76 3.39 0.00 -2.24 3.02 -1.26 -4.81 115.26 111.59 2buu n ASN 434 Ca 0.03 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2buu n ASN 434 Cb 0.21 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2buu n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buu n GLY 435 N 1.47 0.65 3.79 7.41 0.00 -0.23 -4.71 105.19 113.57 2buu n GLY 435 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2buu n GLY 435 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2buu s TYR 436 N -2.42 3.70 0.06 1.61 5.04 -1.26 -0.65 117.35 123.43 2buu s TYR 436 Ca 0.00 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 2buu s TYR 436 Cb 0.00 -2.81 -0.04 0.00 0.35 0.00 0.00 41.96 39.46 2buu s TYR 436 CO 0.00 0.28 -0.04 1.52 -1.34 0.00 0.00 175.55 175.96 2buu s TYR 437 N -1.55 0.62 -0.20 4.97 1.13 -0.24 -2.11 117.35 119.95 2buu s TYR 437 Ca 0.47 -0.95 -0.17 0.00 -1.41 0.00 0.00 57.07 55.01 2buu s TYR 437 Cb -0.18 -0.41 0.06 0.00 -1.10 0.00 0.00 41.96 40.32 2buu s TYR 437 CO 0.23 -0.28 0.53 0.54 -2.51 0.00 0.00 175.55 174.06 2buu s VAL 438 N -3.49 -0.00 0.13 -3.49 0.11 -1.26 -2.18 120.40 110.22 2buu s VAL 438 Ca 0.06 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 2buu s VAL 438 Cb 0.05 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 2buu s VAL 438 CO -0.07 0.01 0.24 0.72 -3.33 0.00 0.00 175.10 172.67 2buu s PHE 439 N 0.54 0.32 0.10 1.54 -0.71 -0.59 -4.95 117.98 114.23 2buu s PHE 439 Ca -0.02 -0.71 0.08 0.00 -1.04 0.00 0.00 56.93 55.24 2buu s PHE 439 Cb -0.04 -0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 2buu s PHE 439 CO -0.03 -0.65 -0.21 0.50 -1.34 0.00 0.00 175.22 173.50 2buu s ARG 440 N -3.93 1.16 0.07 1.99 3.52 -0.72 -1.30 118.95 119.74 2buu s ARG 440 Ca 0.13 -1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 54.56 2buu s ARG 440 Cb 0.04 -1.41 0.01 0.00 -1.56 0.00 0.00 34.95 32.03 2buu s ARG 440 CO -0.04 0.33 0.14 -2.37 -0.81 0.00 0.00 175.30 172.55 2buu n THR 441 N 1.17 0.00 -4.09 4.11 5.66 0.33 -0.95 114.28 120.51 2buu n THR 441 Ca -0.19 -0.17 -0.35 0.00 -3.05 0.00 0.00 64.05 60.28 2buu n THR 441 Cb 0.53 0.17 -0.09 0.00 -1.55 0.00 0.00 70.33 69.40 2buu n THR 441 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2buu s ILE 442 N -2.84 4.81 0.08 1.09 -1.09 -1.26 -1.64 121.20 120.35 2buu s ILE 442 Ca 0.03 -0.04 -0.31 0.00 -2.23 0.00 0.00 60.65 58.10 2buu s ILE 442 Cb -0.01 -3.11 -0.08 0.00 -1.58 0.00 0.00 42.46 37.68 2buu s ILE 442 CO 0.02 0.55 1.62 -0.75 -1.23 0.00 0.00 174.94 175.15 2buu s LYS 443 N -0.36 4.21 0.59 2.79 2.20 0.10 -4.89 119.74 124.37 2buu s LYS 443 Ca 0.09 2.31 -0.16 0.00 -0.36 0.00 0.00 55.97 57.84 2buu s LYS 443 Cb -0.12 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 2buu s LYS 443 CO 0.02 -0.70 1.07 -1.25 -0.36 0.00 0.00 175.35 174.12 2buu s PRO 444 N 2.43 3.30 0.51 4.03 0.04 -1.26 -4.38 135.00 139.67 2buu s PRO 444 Ca 0.73 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 2buu s PRO 444 Cb -0.40 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2buu s PRO 444 CO 0.32 -0.83 0.82 0.20 0.04 0.00 0.00 177.00 177.55 2buu s GLY 445 N -2.59 1.52 0.65 0.56 0.00 -0.72 -4.66 107.32 102.08 2buu s GLY 445 Ca 0.65 -0.49 -0.18 0.00 0.00 0.00 0.00 44.72 44.70 2buu s GLY 445 CO 0.35 -0.30 1.27 -4.14 0.00 0.00 0.00 173.10 170.28 2buu s PRO 446 N -4.81 2.57 -0.18 2.90 0.02 -1.26 -4.04 135.00 130.19 2buu s PRO 446 Ca 0.49 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 2buu s PRO 446 Cb -0.10 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.56 2buu s PRO 446 CO 0.46 -1.56 -0.14 -0.47 -0.33 0.00 0.00 177.00 174.95 2buu s TYR 447 N -1.50 2.83 0.28 6.54 5.04 -1.08 -4.42 117.35 125.05 2buu s TYR 447 Ca 0.81 -1.26 -0.23 0.00 -2.44 0.00 0.00 57.07 53.95 2buu s TYR 447 Cb -0.35 -1.96 -0.09 0.00 0.35 0.00 0.00 41.96 39.90 2buu s TYR 447 CO 0.39 -0.63 0.85 -1.25 -1.34 0.00 0.00 175.55 173.57 2buu s PRO 448 N 1.20 4.43 0.25 4.97 0.04 -1.26 -0.60 135.00 144.04 2buu s PRO 448 Ca 0.02 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 2buu s PRO 448 Cb -0.14 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2buu s PRO 448 CO -0.06 0.32 0.55 1.67 0.04 0.00 0.00 177.00 179.52 2buu s TRP 449 N -1.59 0.17 -0.54 0.56 1.48 -0.27 -4.96 118.94 113.79 2buu s TRP 449 Ca 0.47 -0.56 -0.15 0.00 -1.06 0.00 0.00 56.10 54.80 2buu s TRP 449 Cb -0.18 0.36 0.13 0.00 -1.16 0.00 0.00 33.47 32.62 2buu s TRP 449 CO 0.22 -1.07 0.49 0.50 -4.06 0.00 0.00 176.95 173.04 2buu s ARG 450 N -3.98 2.95 0.00 3.25 3.52 -1.26 -3.28 118.95 120.15 2buu s ARG 450 Ca 0.18 -1.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.06 2buu s ARG 450 Cb -0.02 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.10 2buu s ARG 450 CO 0.08 -1.32 0.00 -1.71 -0.81 0.00 0.00 175.30 171.54 2buu n ASN 451 N 5.21 0.00 -4.93 -2.12 5.15 -1.26 -4.98 115.26 112.33 2buu n ASN 451 Ca -0.13 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.60 2buu n ASN 451 Cb 0.40 -0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.68 2buu n ASN 451 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2buu s ARG 452 N -0.04 2.81 0.42 1.20 0.52 -1.26 -4.97 118.95 117.63 2buu s ARG 452 Ca 0.00 -0.23 0.19 0.00 -0.52 0.00 0.00 55.73 55.17 2buu s ARG 452 Cb 0.00 -2.34 0.96 0.00 0.52 0.00 0.00 34.95 34.08 2buu s ARG 452 CO 0.00 -0.68 1.89 -0.84 0.02 0.00 0.00 175.30 175.69 2buu h ILE 453 N -0.08 0.94 -1.41 1.52 -0.00 -1.94 -3.04 117.51 113.50 2buu h ILE 453 Ca -0.45 -1.06 -0.66 0.00 -0.00 0.00 0.00 64.86 62.69 2buu h ILE 453 Cb 1.27 1.62 -0.34 0.00 -0.00 0.00 0.00 36.82 39.36 2buu h ILE 453 CO 0.59 0.27 0.21 -3.20 -0.00 0.00 0.00 178.15 176.02 2buu n ASN 454 N -3.83 6.36 -4.77 2.16 2.85 -1.26 -4.73 115.26 112.05 2buu n ASN 454 Ca -0.01 -3.78 -0.40 0.00 -0.11 0.00 0.00 54.58 50.28 2buu n ASN 454 Cb 0.37 -0.75 -0.06 0.00 1.24 0.00 0.00 39.78 40.58 2buu n ASN 454 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2buu s GLU 455 N -3.79 4.55 -0.05 1.20 2.56 -1.15 -4.98 118.70 117.03 2buu s GLU 455 Ca 0.54 1.14 0.01 0.00 0.00 0.00 0.00 54.97 56.66 2buu s GLU 455 Cb 0.44 -3.29 0.02 0.00 2.00 0.00 0.00 34.13 33.30 2buu s GLU 455 CO -0.18 0.49 -0.06 -1.58 -0.56 0.00 0.00 175.26 173.38 2buu s TRP 456 N -0.85 0.91 0.21 5.30 0.52 -1.26 -1.12 118.94 122.66 2buu s TRP 456 Ca 0.37 -0.30 -0.09 0.00 0.02 0.00 0.00 56.10 56.10 2buu s TRP 456 Cb -0.22 -0.78 -0.07 0.00 -1.15 0.00 0.00 33.47 31.24 2buu s TRP 456 CO 0.25 -0.24 0.51 -1.12 0.02 0.00 0.00 176.95 176.38 2buu s SER 457 N 1.00 6.60 0.85 2.95 0.01 0.23 -4.67 113.70 120.67 2buu s SER 457 Ca -0.09 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 57.91 2buu s SER 457 Cb -0.14 -2.20 0.10 0.00 0.21 0.00 0.00 66.02 63.99 2buu s SER 457 CO -0.00 -0.04 1.10 -2.84 0.41 0.00 0.00 173.24 171.86 2buu s PRO 458 N -2.78 1.61 0.23 12.44 0.02 -1.26 -2.62 135.00 142.64 2buu s PRO 458 Ca 0.46 1.09 -0.32 0.00 0.02 0.00 0.00 61.00 62.25 2buu s PRO 458 Cb -0.11 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.44 2buu s PRO 458 CO 0.22 -2.08 1.45 0.00 -0.33 0.00 0.00 177.00 176.26 2buu n ALA 459 N -3.81 1.23 -3.19 -1.55 0.00 -1.26 -4.60 120.51 107.34 2buu n ALA 459 Ca 0.08 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 2buu n ALA 459 Cb 0.54 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 2buu n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2buu s HIS 460 N 0.10 -0.26 -0.12 0.00 -3.43 -1.26 -4.09 115.29 106.23 2buu s HIS 460 Ca 0.70 -0.03 0.02 0.00 -0.80 0.00 0.00 55.06 54.94 2buu s HIS 460 Cb -0.65 0.37 0.01 0.00 -1.43 0.00 0.00 32.58 30.89 2buu s HIS 460 CO 0.48 -0.80 -0.18 0.42 -2.00 0.00 0.00 174.74 172.66 2buu s ILE 461 N -3.81 1.75 0.39 -5.38 1.01 -0.66 -4.63 121.20 109.87 2buu s ILE 461 Ca 0.04 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 2buu s ILE 461 Cb 0.00 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 2buu s ILE 461 CO -0.10 0.49 0.97 -1.00 0.00 0.00 0.00 174.94 175.31 2buu s HIS 462 N 0.92 3.40 0.03 3.97 3.76 -0.10 -1.56 115.29 125.71 2buu s HIS 462 Ca -0.06 1.67 -0.08 0.00 -0.15 0.00 0.00 55.06 56.43 2buu s HIS 462 Cb -0.15 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2buu s HIS 462 CO -0.02 -0.16 0.17 -0.59 -0.85 0.00 0.00 174.74 173.29 2buu s PHE 463 N -1.88 0.09 0.00 1.40 -0.12 -0.07 -2.12 117.98 115.27 2buu s PHE 463 Ca 0.58 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 2buu s PHE 463 Cb -0.15 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.17 2buu s PHE 463 CO 0.20 -0.40 -0.08 0.45 -0.05 0.00 0.00 175.22 175.34 2buu s SER 464 N -2.01 0.88 -0.03 1.98 0.15 -0.07 -1.19 113.70 113.40 2buu s SER 464 Ca -0.06 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.45 2buu s SER 464 Cb -0.02 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2buu s SER 464 CO -0.03 0.06 -0.15 -0.76 1.20 0.00 0.00 173.24 173.56 2buu s LEU 465 N -0.32 1.91 -0.18 3.45 1.02 -0.20 -1.31 118.68 123.04 2buu s LEU 465 Ca 0.02 -0.31 0.01 0.00 0.02 0.00 0.00 54.13 53.86 2buu s LEU 465 Cb -0.04 -0.87 0.04 0.00 0.02 0.00 0.00 46.19 45.34 2buu s LEU 465 CO -0.00 0.14 -0.12 -0.63 0.02 0.00 0.00 176.35 175.77 2buu s ILE 466 N -0.00 1.63 0.00 -0.59 1.01 -0.63 -2.88 121.20 119.74 2buu s ILE 466 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2buu s ILE 466 Cb -0.10 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2buu s ILE 466 CO 0.01 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.23 2buu n ALA 467 N 4.71 0.00 -0.02 9.38 0.00 -1.26 -0.68 120.51 132.65 2buu n ALA 467 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2buu n ALA 467 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 2buu n ALA 467 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2buu h ASP 468 N 0.00 0.03 -4.30 0.00 3.32 -1.91 -3.44 116.42 110.13 2buu h ASP 468 Ca 0.00 -0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.48 2buu h ASP 468 Cb 0.00 -0.01 -0.26 0.00 0.22 0.00 0.00 39.33 39.28 2buu h ASP 468 CO 0.00 1.06 -0.81 -0.83 -1.72 0.00 0.00 179.24 176.94 2buu s GLY 469 N -5.13 0.90 0.38 2.75 0.00 -1.26 -3.27 107.32 101.70 2buu s GLY 469 Ca -0.06 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.85 2buu s GLY 469 CO 0.82 -0.84 1.99 -0.25 0.00 0.00 0.00 173.10 174.82 2buu h TRP 470 N 5.00 0.65 -0.08 1.90 -0.00 0.06 -0.41 115.95 123.08 2buu h TRP 470 Ca -0.39 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.54 2buu h TRP 470 Cb 1.17 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.16 30.11 2buu h TRP 470 CO 0.51 0.36 0.14 0.00 -0.00 0.00 0.00 178.44 179.44 2buu h ALA 471 N 1.65 1.47 -0.00 2.65 0.00 -1.58 -0.96 119.26 122.50 2buu h ALA 471 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2buu h ALA 471 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2buu h ALA 471 CO -0.08 -0.18 -0.08 1.04 0.00 0.00 0.00 179.25 179.95 2buu n GLN 472 N -3.47 0.17 -1.64 0.00 6.02 -0.16 -4.92 117.38 113.38 2buu n GLN 472 Ca -0.01 -0.03 -0.52 0.00 -0.01 0.00 0.00 57.00 56.43 2buu n GLN 472 Cb 0.23 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 2buu n GLN 472 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2buu n ARG 473 N -1.39 1.39 -3.75 -1.09 3.00 -0.37 -4.78 116.66 109.66 2buu n ARG 473 Ca 0.09 0.50 -0.13 0.00 -0.00 0.00 0.00 57.85 58.32 2buu n ARG 473 Cb 0.31 -2.19 -0.11 0.00 0.00 0.00 0.00 32.46 30.47 2buu n ARG 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2buu s LEU 474 N 1.56 0.66 -0.02 6.15 2.96 -1.14 -5.04 118.68 123.80 2buu s LEU 474 Ca 0.88 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 55.49 2buu s LEU 474 Cb -0.92 1.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.87 2buu s LEU 474 CO 0.50 -0.12 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.63 2buu s ILE 475 N 0.36 1.17 0.00 6.68 1.01 -1.26 -1.04 121.20 128.13 2buu s ILE 475 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2buu s ILE 475 Cb -0.03 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2buu s ILE 475 CO -0.01 0.34 0.00 -0.24 0.00 0.00 0.00 174.94 175.02 2buu n SER 476 N 2.89 0.00 -3.57 3.58 2.88 -0.33 -5.01 113.62 114.06 2buu n SER 476 Ca -0.16 -0.06 -0.15 0.00 -1.33 0.00 0.00 58.87 57.17 2buu n SER 476 Cb 0.54 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.95 2buu n SER 476 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2buu s GLN 477 N 0.81 1.02 0.25 -1.46 -2.07 -1.26 -0.89 119.66 116.06 2buu s GLN 477 Ca 0.00 -0.07 0.11 0.00 -1.82 0.00 0.00 55.36 53.58 2buu s GLN 477 Cb 0.00 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 2buu s GLN 477 CO 0.00 -0.35 -0.19 -0.59 -1.32 0.00 0.00 175.29 172.84 2buu s PHE 478 N -1.95 2.18 0.52 9.60 -0.12 -0.60 -4.86 117.98 122.75 2buu s PHE 478 Ca -0.08 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.45 2buu s PHE 478 Cb -0.01 -0.97 0.00 0.00 -0.63 0.00 0.00 43.02 41.41 2buu s PHE 478 CO 0.02 0.63 0.11 0.71 -0.05 0.00 0.00 175.22 176.64 2buu s TYR 479 N -2.48 1.80 -0.13 3.49 2.02 0.53 -1.65 117.35 120.93 2buu s TYR 479 Ca 0.27 -0.93 -0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2buu s TYR 479 Cb -0.05 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2buu s TYR 479 CO 0.13 0.04 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.95 2buu s PHE 480 N -2.85 2.80 0.12 2.71 0.40 -1.26 0.17 117.98 120.08 2buu s PHE 480 Ca 0.13 -0.69 -0.34 0.00 -0.60 0.00 0.00 56.93 55.44 2buu s PHE 480 Cb 0.01 -1.85 -0.18 0.00 0.51 0.00 0.00 43.02 41.51 2buu s PHE 480 CO 0.08 -0.24 0.92 -1.91 0.70 0.00 0.00 175.22 174.76 2buu n GLU 481 N 3.58 0.38 0.00 0.44 2.13 -0.58 -2.03 120.64 124.56 2buu n GLU 481 Ca -0.18 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2buu n GLU 481 Cb 0.53 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2buu n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2buu n GLY 482 N 1.81 2.53 3.66 8.31 0.00 -1.26 -4.96 105.19 115.27 2buu n GLY 482 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2buu n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2buu n ASP 483 N 0.00 4.06 0.28 1.61 -0.08 -0.86 -4.86 116.55 116.70 2buu n ASP 483 Ca 0.00 0.86 0.16 0.00 -1.51 0.00 0.00 54.79 54.30 2buu n ASP 483 Cb 0.00 -1.52 0.79 0.00 2.34 0.00 0.00 41.12 42.73 2buu n ASP 483 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2buu h THR 484 N 5.73 0.28 0.00 5.18 1.35 -1.95 -2.80 112.91 120.70 2buu h THR 484 Ca -0.49 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2buu h THR 484 Cb 1.24 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2buu h THR 484 CO 0.94 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 176.46 2buu n LEU 485 N -3.34 0.70 -0.36 3.87 4.77 -1.26 -3.22 117.00 118.17 2buu n LEU 485 Ca -0.01 0.64 0.03 0.00 -0.03 0.00 0.00 56.01 56.64 2buu n LEU 485 Cb 0.24 -0.51 0.19 0.00 -2.33 0.00 0.00 43.42 41.01 2buu n LEU 485 CO 0.27 -0.47 1.26 0.40 -1.33 0.00 0.00 177.39 177.53 2buu h ILE 486 N 0.00 1.08 0.00 -0.08 2.04 -1.89 -2.01 117.51 116.66 2buu h ILE 486 Ca 0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2buu h ILE 486 Cb 0.45 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2buu h ILE 486 CO 0.00 0.21 0.00 0.47 0.00 0.00 0.00 178.15 178.83 2buu n ASP 487 N -4.50 0.00 -0.02 1.72 8.00 -1.20 -3.31 116.55 117.24 2buu n ASP 487 Ca 0.15 0.19 0.02 0.00 0.71 0.00 0.00 54.79 55.86 2buu n ASP 487 Cb 0.19 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.93 2buu n ASP 487 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2buu n SER 488 N -1.35 0.33 -4.66 -2.24 7.64 -0.78 -5.03 113.62 107.52 2buu n SER 488 Ca 0.07 -0.66 -0.42 0.00 1.01 0.00 0.00 58.87 58.86 2buu n SER 488 Cb 0.15 0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 2buu n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2buu h PRO 490 N 9.17 0.00 -0.02 0.00 0.14 -1.91 -1.76 132.00 137.62 2buu h PRO 490 Ca -0.38 0.00 -0.14 0.00 0.14 0.00 0.00 66.00 65.61 2buu h PRO 490 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.32 2buu h PRO 490 CO 0.95 0.01 -0.55 0.82 0.14 0.00 0.00 178.00 179.37 2buu h ILE 491 N 0.00 1.42 -0.29 -3.56 2.04 -1.92 -3.09 117.51 112.12 2buu h ILE 491 Ca -0.00 -2.01 -0.07 0.00 1.00 0.00 0.00 64.86 63.78 2buu h ILE 491 Cb 0.52 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 2buu h ILE 491 CO 0.00 0.59 -0.11 0.25 0.00 0.00 0.00 178.15 178.88 2buu h LEU 492 N -0.09 0.46 0.00 1.44 5.85 -1.89 -2.08 115.31 118.99 2buu h LEU 492 Ca -0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2buu h LEU 492 Cb 1.25 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2buu h LEU 492 CO 0.11 0.60 0.00 0.29 -0.34 0.00 0.00 178.44 179.10 2buu n LYS 493 N -4.22 0.07 0.27 1.25 5.02 -0.68 -1.74 118.16 118.13 2buu n LYS 493 Ca 0.01 0.22 0.16 0.00 -2.02 0.00 0.00 58.31 56.67 2buu n LYS 493 Cb 0.31 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.50 2buu n LYS 493 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2buu h THR 494 N 0.00 0.17 -3.06 -0.18 1.35 -1.28 -3.41 112.91 106.50 2buu h THR 494 Ca 0.00 -0.61 -0.54 0.00 -0.55 0.00 0.00 66.41 64.71 2buu h THR 494 Cb 0.21 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2buu h THR 494 CO 0.00 0.06 0.71 -0.63 -0.25 0.00 0.00 175.52 175.41 2buu s ILE 495 N -3.75 4.02 0.24 6.82 1.01 -0.71 -4.13 121.20 124.70 2buu s ILE 495 Ca 0.00 1.39 -0.03 0.00 0.00 0.00 0.00 60.65 62.01 2buu s ILE 495 Cb 0.10 -3.89 0.09 0.00 0.01 0.00 0.00 42.46 38.76 2buu s ILE 495 CO 0.56 0.03 1.71 -0.65 0.00 0.00 0.00 174.94 176.59 2buu h PRO 496 N 7.40 0.83 -6.29 2.79 0.11 -1.81 -3.45 132.00 131.56 2buu h PRO 496 Ca -0.37 -0.25 -0.66 0.00 0.11 0.00 0.00 66.00 64.83 2buu h PRO 496 Cb 1.18 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 2buu h PRO 496 CO 0.87 0.86 -0.67 -1.54 -0.21 0.00 0.00 178.00 177.32 2buu s SER 497 N -6.66 4.98 0.23 -2.05 1.04 -1.26 -5.00 113.70 104.97 2buu s SER 497 Ca -0.10 -0.13 -0.08 0.00 0.48 0.00 0.00 55.95 56.12 2buu s SER 497 Cb 0.14 -1.21 0.24 0.00 0.10 0.00 0.00 66.02 65.29 2buu s SER 497 CO 0.82 0.22 1.89 -0.08 0.98 0.00 0.00 173.24 177.07 2buu h GLU 498 N 3.84 1.09 0.00 4.02 4.57 -2.00 -1.74 114.58 124.36 2buu h GLU 498 Ca -0.48 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 57.56 2buu h GLU 498 Cb 1.17 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2buu h GLU 498 CO 0.58 0.72 -0.33 -0.56 -1.18 0.00 0.00 179.01 178.25 2buu h GLN 499 N 1.13 0.00 0.04 1.92 3.07 -1.99 -1.70 115.11 117.57 2buu h GLN 499 Ca 0.33 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.85 2buu h GLN 499 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 2buu h GLN 499 CO -0.09 0.33 -1.00 1.96 0.09 0.00 0.00 178.83 180.11 2buu h GLN 500 N 0.00 0.20 -0.34 0.06 1.08 -1.84 -2.55 115.11 111.72 2buu h GLN 500 Ca -0.00 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.87 2buu h GLN 500 Cb 0.69 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 2buu h GLN 500 CO 0.04 1.04 -0.05 0.00 -0.95 0.00 0.00 178.83 178.92 2buu h ARG 501 N 0.09 0.55 0.00 1.46 3.08 -0.60 -1.89 114.38 117.07 2buu h ARG 501 Ca -0.06 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 2buu h ARG 501 Cb 1.68 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.66 2buu h ARG 501 CO 0.15 0.61 -0.14 0.00 -1.07 0.00 0.00 179.97 179.53 2buu h ARG 502 N 0.52 0.00 0.00 0.04 3.08 -1.17 -2.40 114.38 114.45 2buu h ARG 502 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2buu h ARG 502 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2buu h ARG 502 CO 0.02 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 2buu n ALA 503 N -2.21 1.47 -0.22 0.04 0.00 -0.71 -1.88 120.51 116.99 2buu n ALA 503 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.61 2buu n ALA 503 Cb 0.32 -1.29 0.31 0.00 0.00 0.00 0.00 19.45 18.79 2buu n ALA 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2buu n LEU 504 N -1.98 3.77 -4.55 0.00 4.77 -0.90 -4.90 117.00 113.20 2buu n LEU 504 Ca 0.02 -1.89 -0.38 0.00 -0.03 0.00 0.00 56.01 53.73 2buu n LEU 504 Cb 0.15 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 2buu n LEU 504 CO 0.14 0.91 -0.20 -0.63 -1.33 0.00 0.00 177.39 176.28 2buu s ILE 505 N -1.14 5.07 0.24 -0.08 1.01 -0.79 -0.35 121.20 125.17 2buu s ILE 505 Ca 0.46 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 2buu s ILE 505 Cb 0.25 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 2buu s ILE 505 CO 0.31 0.27 1.05 0.00 0.00 0.00 0.00 174.94 176.56 2buu s ALA 506 N 1.72 3.38 -0.05 9.38 0.00 0.13 -4.87 121.76 131.45 2buu s ALA 506 Ca 0.07 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 2buu s ALA 506 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2buu s ALA 506 CO 0.09 -0.05 0.14 -0.51 0.00 0.00 0.00 175.76 175.43 2buu s LEU 507 N -1.14 4.26 0.19 0.00 2.01 0.27 -1.52 118.68 122.75 2buu s LEU 507 Ca 0.44 0.34 -0.31 0.00 0.01 0.00 0.00 54.13 54.61 2buu s LEU 507 Cb -0.29 -2.34 -0.10 0.00 0.01 0.00 0.00 46.19 43.46 2buu s LEU 507 CO 0.37 0.32 1.54 -0.70 1.01 0.00 0.00 176.35 178.88 2buu s GLU 508 N -1.56 4.22 -0.72 1.70 2.12 -1.26 -0.28 118.70 122.92 2buu s GLU 508 Ca 0.22 2.36 0.05 0.00 0.36 0.00 0.00 54.97 57.95 2buu s GLU 508 Cb -0.12 -3.14 0.18 0.00 0.26 0.00 0.00 34.13 31.31 2buu s GLU 508 CO 0.12 -0.56 0.53 -3.47 -0.54 0.00 0.00 175.26 171.35 2buu n ASP 509 N 3.46 3.17 -0.14 -1.70 2.03 -0.42 -4.83 116.55 118.12 2buu n ASP 509 Ca 0.12 -3.23 0.02 0.00 0.52 0.00 0.00 54.79 52.22 2buu n ASP 509 Cb 0.39 -0.78 0.31 0.00 -0.72 0.00 0.00 41.12 40.32 2buu n ASP 509 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2buu h LYS 510 N 5.35 0.83 0.00 -0.67 3.64 -1.92 -1.71 116.57 122.08 2buu h LYS 510 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2buu h LYS 510 Cb 0.75 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2buu h LYS 510 CO 0.74 0.55 0.00 0.77 -2.27 0.00 0.00 179.45 179.23 2buu h SER 511 N 0.85 0.00 -0.63 4.20 0.02 -1.96 -2.45 113.55 113.59 2buu h SER 511 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2buu h SER 511 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2buu h SER 511 CO -0.05 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.23 2buu n ASN 512 N -2.93 3.49 -4.76 3.07 3.02 -0.65 -4.97 115.26 111.53 2buu n ASN 512 Ca 0.00 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 2buu n ASN 512 Cb 0.24 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2buu n ASN 512 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2buu s PHE 513 N -1.16 2.46 -0.28 3.10 0.40 -0.92 -4.63 117.98 116.93 2buu s PHE 513 Ca 0.43 1.51 -0.07 0.00 -0.60 0.00 0.00 56.93 58.21 2buu s PHE 513 Cb 0.23 -3.46 -0.00 0.00 0.51 0.00 0.00 43.02 40.29 2buu s PHE 513 CO 0.30 -2.10 0.08 0.42 0.70 0.00 0.00 175.22 174.62 2buu s ILE 514 N -1.60 4.12 0.24 0.64 1.01 0.25 -5.01 121.20 120.86 2buu s ILE 514 Ca 0.76 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 2buu s ILE 514 Cb -0.30 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 38.97 2buu s ILE 514 CO 0.33 0.16 1.12 -1.84 0.00 0.00 0.00 174.94 174.70 2buu n GLU 515 N 4.90 1.38 -3.27 2.79 0.00 -1.26 -1.53 120.64 123.65 2buu n GLU 515 Ca -0.15 0.49 -0.22 0.00 0.00 0.00 0.00 57.16 57.28 2buu n GLU 515 Cb 0.49 -1.94 -0.01 0.00 0.00 0.00 0.00 31.44 29.99 2buu n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2buu n ALA 516 N 0.88 -1.04 -0.93 -1.84 0.00 -1.26 -4.70 120.51 111.62 2buu n ALA 516 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2buu n ALA 516 Cb 0.29 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.16 2buu n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2buu n ASP 517 N -2.22 0.00 -3.99 0.00 -0.08 -0.58 -5.17 116.55 104.51 2buu n ASP 517 Ca -0.02 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.14 2buu n ASP 517 Cb 0.54 0.01 -0.12 0.00 2.34 0.00 0.00 41.12 43.89 2buu n ASP 517 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2buu s SER 518 N 0.97 0.48 0.83 1.67 0.01 -0.88 -4.70 113.70 112.08 2buu s SER 518 Ca 0.00 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.81 2buu s SER 518 Cb 0.00 0.04 0.16 0.00 0.21 0.00 0.00 66.02 66.43 2buu s SER 518 CO 0.00 -0.17 1.14 -0.13 0.41 0.00 0.00 173.24 174.49 2buu s ARG 519 N -1.08 1.19 -0.09 12.44 0.52 -0.76 -0.58 118.95 130.59 2buu s ARG 519 Ca -0.09 -0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 54.19 2buu s ARG 519 Cb -0.07 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.30 2buu s ARG 519 CO -0.00 -1.89 0.23 0.00 0.02 0.00 0.00 175.30 173.66 2buu s TYR 521 N 0.29 1.99 -0.16 0.00 1.51 -0.03 -1.30 117.35 119.65 2buu s TYR 521 Ca -0.01 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 2buu s TYR 521 Cb -0.03 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 2buu s TYR 521 CO -0.01 0.08 0.00 0.50 -1.11 0.00 0.00 175.55 175.02 2buu s ARG 522 N -1.10 3.79 -0.22 -0.62 6.06 0.61 -1.69 118.95 125.78 2buu s ARG 522 Ca 0.09 -0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 52.83 2buu s ARG 522 Cb -0.09 -3.03 0.11 0.00 0.06 0.00 0.00 34.95 32.00 2buu s ARG 522 CO 0.01 0.26 0.35 0.12 -2.50 0.00 0.00 175.30 173.54 2buu s PHE 523 N 0.34 -0.69 0.07 5.12 5.36 -0.12 -0.57 117.98 127.49 2buu s PHE 523 Ca -0.01 0.85 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2buu s PHE 523 Cb -0.13 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 2buu s PHE 523 CO 0.02 -0.62 0.21 -0.51 -1.46 0.00 0.00 175.22 172.85 2buu s ASP 524 N 2.51 6.31 -0.03 6.13 1.01 -1.26 -3.83 116.67 127.51 2buu s ASP 524 Ca 0.08 0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.64 2buu s ASP 524 Cb -0.15 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 2buu s ASP 524 CO -0.14 0.16 -0.18 -0.63 0.21 0.00 0.00 175.17 174.60 2buu s ILE 525 N -1.52 1.44 -0.13 0.77 1.01 -0.32 -4.95 121.20 117.51 2buu s ILE 525 Ca 0.35 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.27 2buu s ILE 525 Cb -0.13 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2buu s ILE 525 CO 0.28 0.41 -0.23 -0.89 0.00 0.00 0.00 174.94 174.51 2buu s THR 526 N -0.24 2.05 0.43 2.92 2.01 -1.26 -1.25 115.64 120.30 2buu s THR 526 Ca 0.03 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2buu s THR 526 Cb -0.09 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 2buu s THR 526 CO 0.00 0.55 0.38 -0.76 -0.69 0.00 0.00 174.62 174.11 2buu s LEU 527 N 0.67 3.30 0.69 4.42 1.43 -0.03 -4.91 118.68 124.24 2buu s LEU 527 Ca -0.11 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.02 2buu s LEU 527 Cb -0.16 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2buu s LEU 527 CO 0.02 -0.71 1.17 -0.13 0.23 0.00 0.00 176.35 176.92 2buu s ARG 528 N -4.15 2.48 0.15 1.70 0.52 -1.26 -0.49 118.95 117.89 2buu s ARG 528 Ca 0.47 1.64 0.09 0.00 -0.52 0.00 0.00 55.73 57.41 2buu s ARG 528 Cb -0.03 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 2buu s ARG 528 CO 0.27 -1.55 -0.22 0.20 0.02 0.00 0.00 175.30 174.03 2buu s GLY 529 N -2.17 1.44 0.23 -3.53 0.00 -1.26 -4.46 107.32 97.57 2buu s GLY 529 Ca 0.72 -1.44 -0.14 0.00 0.00 0.00 0.00 44.72 43.86 2buu s GLY 529 CO 0.42 -1.46 0.62 0.50 0.00 0.00 0.00 173.10 173.18 2buu s ARG 530 N -2.38 3.97 0.29 2.90 0.52 -1.26 -1.29 118.95 121.70 2buu s ARG 530 Ca 0.14 0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 55.78 2buu s ARG 530 Cb -0.08 -2.71 -0.07 0.00 0.52 0.00 0.00 34.95 32.61 2buu s ARG 530 CO 0.06 0.34 0.62 1.03 0.02 0.00 0.00 175.30 177.37 2buu s ARG 531 N -2.48 3.77 0.29 3.54 0.52 -0.80 -4.91 118.95 118.88 2buu s ARG 531 Ca 0.46 0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 55.84 2buu s ARG 531 Cb -0.13 -2.57 -0.07 0.00 0.52 0.00 0.00 34.95 32.70 2buu s ARG 531 CO 0.20 0.19 0.64 0.00 0.02 0.00 0.00 175.30 176.35 2buu s ALA 532 N -2.03 3.47 -0.10 2.13 0.00 -1.26 -0.68 121.76 123.28 2buu s ALA 532 Ca 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 2buu s ALA 532 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2buu s ALA 532 CO 0.25 0.35 -0.05 0.99 0.00 0.00 0.00 175.76 177.31 2buu s THR 533 N -1.98 3.85 0.00 0.00 2.01 0.81 -4.69 115.64 115.65 2buu s THR 533 Ca 0.50 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2buu s THR 533 Cb -0.11 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2buu s THR 533 CO 0.22 0.56 0.10 -1.22 -0.69 0.00 0.00 174.62 173.60 2buu n TYR 534 N 2.73 0.00 0.00 4.92 4.01 -1.26 -4.43 117.16 123.13 2buu n TYR 534 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2buu n TYR 534 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2buu n TYR 534 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2buu n PHE 535 N -0.67 0.00 -2.04 -0.72 3.72 -1.26 -5.08 117.46 111.42 2buu n PHE 535 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2buu n PHE 535 Cb 0.01 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2buu n PHE 535 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2buu s GLU 536 N 3.51 3.55 -0.53 -1.08 8.01 -1.26 -4.99 118.70 125.91 2buu s GLU 536 Ca 0.00 2.02 -0.00 0.00 0.01 0.00 0.00 54.97 57.00 2buu s GLU 536 Cb 0.00 -2.41 0.14 0.00 -4.31 0.00 0.00 34.13 27.55 2buu s GLU 536 CO 0.00 -0.79 0.31 1.21 0.01 0.00 0.00 175.26 175.99 2buu s ASN 537 N -1.09 4.92 0.00 -0.19 2.47 -1.26 -4.94 114.94 114.85 2buu s ASN 537 Ca 0.66 -2.70 0.29 0.00 0.42 0.00 0.00 52.86 51.53 2buu s ASN 537 Cb -0.35 -1.76 1.21 0.00 -1.45 0.00 0.00 41.25 38.90 2buu s ASN 537 CO 0.42 -0.36 1.84 0.47 -3.72 0.00 0.00 177.10 175.76 2buu n ASP 538 N 3.63 0.61 -0.34 -4.21 8.00 -1.26 -4.14 116.55 118.84 2buu n ASP 538 Ca 0.05 -0.76 0.18 0.00 0.71 0.00 0.00 54.79 54.97 2buu n ASP 538 Cb 0.37 -0.03 0.40 0.00 -0.02 0.00 0.00 41.12 41.84 2buu n ASP 538 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2buu h LEU 539 N 0.80 0.64 -0.77 0.64 5.85 -1.92 -3.51 115.31 117.05 2buu h LEU 539 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2buu h LEU 539 Cb 0.36 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2buu h LEU 539 CO 0.00 0.12 0.00 0.41 -0.34 0.00 0.00 178.44 178.63