#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bux s ILE 304 N 0.00 5.31 0.23 1.39 1.01 -1.26 -5.03 121.20 122.84 2bux s ILE 304 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.66 2bux s ILE 304 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 2bux s ILE 304 CO 0.00 0.27 0.77 0.26 0.00 0.00 0.00 174.94 176.24 2bux s TRP 305 N 1.59 3.71 0.00 3.97 0.52 -1.26 -0.19 118.94 127.28 2bux s TRP 305 Ca 0.08 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.72 2bux s TRP 305 Cb -0.15 -2.71 0.00 0.00 -1.15 0.00 0.00 33.47 29.46 2bux s TRP 305 CO 0.09 0.35 0.00 0.41 0.02 0.00 0.00 176.95 177.82 2bux n GLY 306 N 0.89 3.11 3.93 0.98 0.00 0.15 -4.73 105.19 109.52 2bux n GLY 306 Ca -0.02 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.04 2bux n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bux s ALA 307 N -2.63 3.38 0.41 4.61 0.00 -1.26 -4.63 121.76 121.64 2bux s ALA 307 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 2bux s ALA 307 Cb 0.00 -2.49 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 2bux s ALA 307 CO 0.00 -0.86 1.13 0.71 0.00 0.00 0.00 175.76 176.74 2bux s TYR 308 N -2.97 3.10 0.67 0.00 1.51 -1.26 -1.62 117.35 116.78 2bux s TYR 308 Ca 0.55 1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 58.02 2bux s TYR 308 Cb -0.10 -3.31 -0.00 0.00 -0.11 0.00 0.00 41.96 38.44 2bux s TYR 308 CO 0.43 -1.12 1.16 0.00 -1.11 0.00 0.00 175.55 174.92 2bux n ALA 309 N -0.06 0.59 -1.74 3.71 0.00 -0.24 -4.90 120.51 117.87 2bux n ALA 309 Ca 0.05 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2bux n ALA 309 Cb 0.48 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 2bux n ALA 309 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2bux n GLN 310 N -1.90 2.43 -2.27 0.00 7.27 -1.26 -4.82 117.38 116.83 2bux n GLN 310 Ca 0.15 0.85 -0.41 0.00 0.07 0.00 0.00 57.00 57.66 2bux n GLN 310 Cb 0.48 -2.52 -0.03 0.00 2.41 0.00 0.00 30.24 30.59 2bux n GLN 310 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2bux s ARG 311 N -1.93 4.45 -0.60 3.69 3.52 -1.26 -4.95 118.95 121.87 2bux s ARG 311 Ca 0.55 2.02 -0.20 0.00 -0.13 0.00 0.00 55.73 57.97 2bux s ARG 311 Cb -0.52 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 29.79 2bux s ARG 311 CO 0.63 -0.11 0.78 1.21 -0.81 0.00 0.00 175.30 177.00 2bux s ASN 312 N -0.19 6.19 0.59 -2.12 3.04 -1.26 -4.90 114.94 116.29 2bux s ASN 312 Ca 0.51 -1.19 0.32 0.00 0.04 0.00 0.00 52.86 52.54 2bux s ASN 312 Cb -0.36 -2.34 1.84 0.00 -1.54 0.00 0.00 41.25 38.86 2bux s ASN 312 CO 0.43 -1.19 2.23 0.71 -3.04 0.00 0.00 177.10 176.25 2bux h THR 313 N 5.94 0.43 0.00 -5.21 1.35 -1.94 -0.40 112.91 113.08 2bux h THR 313 Ca -0.29 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2bux h THR 313 Cb 1.08 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2bux h THR 313 CO 1.11 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 175.78 2bux n GLU 314 N -3.66 0.04 -0.17 4.72 1.02 -1.26 -2.51 120.64 118.83 2bux n GLU 314 Ca -0.03 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 2bux n GLU 314 Cb 0.12 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.30 2bux n GLU 314 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2bux n ASP 315 N -1.47 2.89 -4.36 1.62 8.00 -0.16 -4.71 116.55 118.36 2bux n ASP 315 Ca 0.06 -1.91 -0.18 0.00 0.71 0.00 0.00 54.79 53.46 2bux n ASP 315 Cb 0.23 -0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2bux n ASP 315 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2bux s HIS 316 N -1.56 1.66 0.69 1.24 3.76 -1.04 -4.92 115.29 115.11 2bux s HIS 316 Ca 0.37 -0.94 -0.13 0.00 -0.15 0.00 0.00 55.06 54.20 2bux s HIS 316 Cb 0.21 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.92 2bux s HIS 316 CO 0.29 -0.04 1.08 -1.25 -0.85 0.00 0.00 174.74 173.97 2bux s PRO 317 N -3.88 2.77 0.61 8.40 0.04 -1.26 -4.46 135.00 137.22 2bux s PRO 317 Ca 0.31 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 2bux s PRO 317 Cb 0.06 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2bux s PRO 317 CO 0.11 -1.25 0.94 -1.25 0.04 0.00 0.00 177.00 175.59 2bux s PRO 318 N -4.55 3.05 0.05 0.56 0.04 -1.26 -5.00 135.00 127.89 2bux s PRO 318 Ca 0.62 0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 2bux s PRO 318 Cb -0.17 -2.21 -0.13 0.00 0.04 0.00 0.00 34.50 32.03 2bux s PRO 318 CO 0.48 -0.70 1.43 0.00 0.04 0.00 0.00 177.00 178.25 2bux h ALA 319 N -0.25 0.21 -2.23 8.56 0.00 -1.96 -3.40 119.26 120.18 2bux h ALA 319 Ca -0.45 -0.24 -0.62 0.00 0.00 0.00 0.00 54.91 53.60 2bux h ALA 319 Cb 1.24 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 2bux h ALA 319 CO 0.62 -0.03 0.29 -0.47 0.00 0.00 0.00 179.25 179.66 2bux s TYR 320 N -4.70 3.13 -0.35 0.00 5.04 -1.26 -4.76 117.35 114.45 2bux s TYR 320 Ca -0.14 0.49 -0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2bux s TYR 320 Cb 0.05 -3.30 0.13 0.00 0.35 0.00 0.00 41.96 39.20 2bux s TYR 320 CO 0.73 -0.69 0.20 0.00 -1.34 0.00 0.00 175.55 174.45 2bux s ALA 321 N 2.95 0.92 0.56 3.97 0.00 -1.26 -5.02 121.76 123.88 2bux s ALA 321 Ca 0.29 -1.78 0.34 0.00 0.00 0.00 0.00 51.96 50.82 2bux s ALA 321 Cb -0.14 -1.58 1.49 0.00 0.00 0.00 0.00 23.12 22.89 2bux s ALA 321 CO 0.16 -2.04 1.79 -1.00 0.00 0.00 0.00 175.76 174.67 2bux h PRO 322 N 7.20 0.00 0.00 0.00 0.13 -1.95 -0.90 132.00 136.48 2bux h PRO 322 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2bux h PRO 322 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2bux h PRO 322 CO 0.29 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.84 2bux h GLY 323 N 0.00 0.00 -7.56 1.56 0.00 -1.95 -3.32 103.07 91.80 2bux h GLY 323 Ca 0.49 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 47.08 2bux h GLY 323 CO -0.01 0.00 -0.21 -0.47 0.00 0.00 0.00 176.54 175.86 2bux s TYR 324 N -3.51 3.53 0.28 5.60 5.04 -0.34 -4.87 117.35 123.07 2bux s TYR 324 Ca 0.03 -2.19 0.01 0.00 -2.44 0.00 0.00 57.07 52.48 2bux s TYR 324 Cb 0.09 -3.52 0.57 0.00 0.35 0.00 0.00 41.96 39.45 2bux s TYR 324 CO 0.52 -0.94 1.80 0.87 -1.34 0.00 0.00 175.55 176.46 2bux h LYS 325 N 7.74 0.82 0.00 4.97 1.57 -1.78 -0.85 116.57 129.03 2bux h LYS 325 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2bux h LYS 325 Cb 1.02 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2bux h LYS 325 CO 0.78 0.54 -0.03 1.15 -0.57 0.00 0.00 179.45 181.32 2bux h THR 326 N 0.84 0.55 0.00 -0.16 2.02 -1.92 -1.47 112.91 112.77 2bux h THR 326 Ca 0.50 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.53 2bux h THR 326 Cb 0.60 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2bux h THR 326 CO -0.31 0.03 -0.12 0.77 0.37 0.00 0.00 175.52 176.26 2bux h SER 327 N 0.00 0.00 -0.94 4.18 4.64 -1.43 -3.24 113.55 116.77 2bux h SER 327 Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2bux h SER 327 Cb 0.08 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.09 2bux h SER 327 CO 0.00 0.12 0.58 0.58 -0.87 0.00 0.00 176.83 177.24 2bux h VAL 328 N 0.00 0.95 -0.11 0.95 2.07 -1.39 -2.11 116.25 116.61 2bux h VAL 328 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2bux h VAL 328 Cb 0.47 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2bux h VAL 328 CO 0.02 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.96 2bux n LEU 329 N -4.65 3.07 -0.93 2.57 4.77 -1.24 -4.42 117.00 116.18 2bux n LEU 329 Ca 0.16 -1.11 0.01 0.00 -0.03 0.00 0.00 56.01 55.04 2bux n LEU 329 Cb 0.30 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 2bux n LEU 329 CO 0.28 0.55 0.30 0.54 -1.33 0.00 0.00 177.39 177.73 2bux n ARG 330 N 1.36 1.77 -4.66 3.23 1.74 -0.82 -5.00 116.66 114.29 2bux n ARG 330 Ca 0.15 -3.34 -0.24 0.00 -0.77 0.00 0.00 57.85 53.65 2bux n ARG 330 Cb 0.59 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 2bux n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bux s SER 331 N -3.20 1.80 0.45 0.55 1.04 -1.08 -4.96 113.70 108.29 2bux s SER 331 Ca 0.39 -0.29 -0.25 0.00 0.48 0.00 0.00 55.95 56.29 2bux s SER 331 Cb 0.38 -0.54 -0.08 0.00 0.10 0.00 0.00 66.02 65.88 2bux s SER 331 CO -0.06 0.11 1.35 -2.16 0.98 0.00 0.00 173.24 173.46 2bux s PRO 332 N 0.17 3.69 0.04 4.02 0.04 -1.26 -4.93 135.00 136.77 2bux s PRO 332 Ca -0.05 2.24 0.10 0.00 0.04 0.00 0.00 61.00 63.33 2bux s PRO 332 Cb -0.11 -2.60 -0.21 0.00 0.04 0.00 0.00 34.50 31.62 2bux s PRO 332 CO 0.02 -0.75 0.96 1.57 0.04 0.00 0.00 177.00 178.84 2bux h LYS 333 N 2.27 0.00 -7.09 4.56 2.10 -2.00 -3.46 116.57 112.95 2bux h LYS 333 Ca -0.50 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 57.68 2bux h LYS 333 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2bux h LYS 333 CO 0.61 0.72 0.32 -0.80 -2.00 0.00 0.00 179.45 178.30 2bux s ASN 334 N -6.38 6.69 0.64 7.07 0.01 -1.26 -5.04 114.94 116.68 2bux s ASN 334 Ca -0.02 1.52 -0.16 0.00 -0.71 0.00 0.00 52.86 53.49 2bux s ASN 334 Cb 0.09 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 2bux s ASN 334 CO 0.82 -0.49 1.14 0.00 -1.51 0.00 0.00 177.10 177.07 2bux s ALA 335 N -2.45 2.45 0.48 0.60 0.00 -1.26 -4.99 121.76 116.59 2bux s ALA 335 Ca 0.58 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 2bux s ALA 335 Cb -0.10 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2bux s ALA 335 CO 0.26 -1.28 1.22 -0.51 0.00 0.00 0.00 175.76 175.46 2bux s LEU 336 N -4.62 3.99 -0.29 0.00 1.43 -1.26 -4.98 118.68 112.95 2bux s LEU 336 Ca 0.71 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 56.10 2bux s LEU 336 Cb -0.24 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2bux s LEU 336 CO 0.38 -1.07 0.42 -0.63 0.23 0.00 0.00 176.35 175.68 2bux s ILE 337 N -1.46 5.13 0.14 -0.59 1.01 -1.26 -5.06 121.20 119.11 2bux s ILE 337 Ca 0.65 0.50 -0.25 0.00 0.00 0.00 0.00 60.65 61.54 2bux s ILE 337 Cb -0.32 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 2bux s ILE 337 CO 0.39 0.05 0.78 -0.44 0.00 0.00 0.00 174.94 175.71 2bux s SER 338 N 1.66 7.35 0.21 3.58 0.01 -1.26 -5.05 113.70 120.20 2bux s SER 338 Ca 0.16 1.60 0.11 0.00 1.31 0.00 0.00 55.95 59.13 2bux s SER 338 Cb -0.16 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2bux s SER 338 CO 0.11 0.16 -0.21 0.27 0.41 0.00 0.00 173.24 173.98 2bux s ILE 339 N -0.87 2.21 0.18 1.44 -4.36 -1.26 -5.12 121.20 113.42 2bux s ILE 339 Ca 0.37 -2.12 -0.30 0.00 -0.26 0.00 0.00 60.65 58.34 2bux s ILE 339 Cb -0.22 -2.09 -0.07 0.00 1.25 0.00 0.00 42.46 41.32 2bux s ILE 339 CO 0.25 -0.28 0.95 0.00 0.24 0.00 0.00 174.94 176.11 2bux s ALA 340 N -2.08 3.29 0.55 2.27 0.00 -1.26 -5.01 121.76 119.53 2bux s ALA 340 Ca 0.22 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 2bux s ALA 340 Cb -0.06 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2bux s ALA 340 CO 0.10 0.10 1.13 -1.21 0.00 0.00 0.00 175.76 175.88 2bux s GLU 341 N -0.62 3.31 0.40 0.00 2.02 -1.26 -5.06 118.70 117.49 2bux s GLU 341 Ca 0.44 1.61 0.04 0.00 0.02 0.00 0.00 54.97 57.08 2bux s GLU 341 Cb -0.25 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 2bux s GLU 341 CO 0.31 -0.88 0.13 0.25 0.02 0.00 0.00 175.26 175.09 2bux n THR 342 N -1.37 0.00 0.02 3.63 -2.24 -1.26 -4.86 114.28 108.21 2bux n THR 342 Ca 0.12 -2.30 0.21 0.00 -2.27 0.00 0.00 64.05 59.80 2bux n THR 342 Cb 0.51 0.80 0.72 0.00 -2.10 0.00 0.00 70.33 70.27 2bux n THR 342 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2bux h LEU 343 N 0.00 0.00 -1.18 3.22 3.38 -1.98 -1.20 115.31 117.55 2bux h LEU 343 Ca -0.31 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2bux h LEU 343 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2bux h LEU 343 CO 0.50 0.00 0.22 0.28 0.09 0.00 0.00 178.44 179.53 2bux h SER 344 N 0.00 0.72 0.92 -0.43 0.02 -1.95 -2.86 113.55 109.96 2bux h SER 344 Ca 0.24 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 2bux h SER 344 Cb 1.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2bux h SER 344 CO -0.00 0.65 -1.13 -0.33 -1.14 0.00 0.00 176.83 174.88 2bux h GLU 345 N 0.79 0.00 -0.02 3.45 3.07 -1.62 -3.35 114.58 116.88 2bux h GLU 345 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2bux h GLU 345 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2bux h GLU 345 CO -0.02 0.12 -0.08 1.33 -1.40 0.00 0.00 179.01 178.96 2bux n VAL 346 N -2.78 0.00 -3.86 3.13 0.24 -0.99 -1.67 118.33 112.39 2bux n VAL 346 Ca -0.04 -0.38 -0.21 0.00 -2.04 0.00 0.00 64.34 61.67 2bux n VAL 346 Cb 0.67 1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 34.13 2bux n VAL 346 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2bux s THR 347 N -2.10 3.55 0.25 3.34 -4.23 -1.09 -4.20 115.64 111.16 2bux s THR 347 Ca 0.29 -1.40 -0.22 0.00 -1.18 0.00 0.00 61.69 59.18 2bux s THR 347 Cb 0.20 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.89 2bux s THR 347 CO 0.36 -0.19 0.70 0.00 -0.54 0.00 0.00 174.62 174.95 2bux s ALA 348 N -2.30 -1.33 0.71 3.99 0.00 -1.16 -1.10 121.76 120.58 2bux s ALA 348 Ca 0.40 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2bux s ALA 348 Cb -0.06 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2bux s ALA 348 CO 0.26 -0.97 1.08 -1.25 0.00 0.00 0.00 175.76 174.87 2bux s PRO 349 N -3.85 2.79 -0.06 0.00 0.04 -1.26 -4.95 135.00 127.71 2bux s PRO 349 Ca 0.09 0.69 0.04 0.00 0.04 0.00 0.00 61.00 61.85 2bux s PRO 349 Cb -0.05 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2bux s PRO 349 CO 0.02 -1.13 -0.16 -1.01 0.04 0.00 0.00 177.00 174.75 2bux s HIS 350 N -3.19 2.65 -0.16 0.56 3.76 -1.26 -4.91 115.29 112.74 2bux s HIS 350 Ca 0.58 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 2bux s HIS 350 Cb -0.13 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.93 2bux s HIS 350 CO 0.54 0.07 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.28 2bux s PHE 351 N -0.53 2.78 0.14 1.40 0.40 -1.26 -5.12 117.98 115.80 2bux s PHE 351 Ca 0.07 -1.17 -0.26 0.00 -0.60 0.00 0.00 56.93 54.97 2bux s PHE 351 Cb -0.11 -1.90 -0.07 0.00 0.51 0.00 0.00 43.02 41.44 2bux s PHE 351 CO 0.01 -0.56 0.79 -1.54 0.70 0.00 0.00 175.22 174.63 2bux s SER 352 N 0.96 7.36 0.46 1.36 1.04 -1.26 -4.95 113.70 118.68 2bux s SER 352 Ca -0.03 1.62 0.20 0.00 0.48 0.00 0.00 55.95 58.22 2bux s SER 352 Cb -0.15 -2.50 1.19 0.00 0.10 0.00 0.00 66.02 64.66 2bux s SER 352 CO -0.03 0.15 1.92 0.00 0.98 0.00 0.00 173.24 176.26 2bux h ALA 353 N 4.71 2.31 -0.89 5.32 0.00 -1.99 -2.27 119.26 126.45 2bux h ALA 353 Ca -0.46 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.64 2bux h ALA 353 Cb 1.21 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2bux h ALA 353 CO 0.68 -0.52 0.59 -0.44 0.00 0.00 0.00 179.25 179.55 2bux h ASP 354 N 0.26 0.43 1.06 0.00 3.32 -2.03 -1.59 116.42 117.86 2bux h ASP 354 Ca 0.36 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2bux h ASP 354 Cb 1.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2bux h ASP 354 CO -0.09 0.18 0.00 0.11 -1.72 0.00 0.00 179.24 177.72 2bux h LYS 355 N 0.43 0.00 -6.64 3.56 1.57 -1.81 -3.45 116.57 110.22 2bux h LYS 355 Ca 0.46 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.73 2bux h LYS 355 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 2bux h LYS 355 CO -0.18 0.00 0.23 -0.06 -0.57 0.00 0.00 179.45 178.87 2bux s PHE 356 N -3.64 3.83 0.66 -1.35 0.08 -0.60 -5.07 117.98 111.88 2bux s PHE 356 Ca 0.02 1.66 -0.06 0.00 0.12 0.00 0.00 56.93 58.66 2bux s PHE 356 Cb 0.09 -2.80 0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2bux s PHE 356 CO 0.54 0.41 0.97 0.20 -0.10 0.00 0.00 175.22 177.24 2bux s GLY 357 N -1.35 1.66 0.48 4.36 0.00 -1.26 -4.99 107.32 106.21 2bux s GLY 357 Ca 0.41 -0.83 0.26 0.00 0.00 0.00 0.00 44.72 44.56 2bux s GLY 357 CO 0.26 -0.47 1.93 -0.56 0.00 0.00 0.00 173.10 174.26 2bux h PRO 358 N -0.42 0.00 -0.60 2.90 0.13 -1.99 -2.92 132.00 129.09 2bux h PRO 358 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2bux h PRO 358 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bux h PRO 358 CO 0.60 0.18 0.00 1.63 -0.23 0.00 0.00 178.00 180.18 2bux n LYS 359 N -3.48 3.99 0.26 0.86 5.02 -1.26 -4.58 118.16 118.97 2bux n LYS 359 Ca -0.01 -2.95 0.10 0.00 -2.02 0.00 0.00 58.31 53.44 2bux n LYS 359 Cb 0.35 -1.98 0.70 0.00 -0.02 0.00 0.00 35.03 34.08 2bux n LYS 359 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bux h ASP 360 N 3.91 0.00 -0.39 4.39 3.45 -1.80 -1.62 116.42 124.36 2bux h ASP 360 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2bux h ASP 360 Cb 1.58 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.35 2bux h ASP 360 CO 0.29 0.08 0.00 -0.46 -1.57 0.00 0.00 179.24 177.58 2bux n ASN 361 N -4.11 4.66 -3.81 6.45 6.94 -1.19 -1.38 115.26 122.83 2bux n ASN 361 Ca -0.03 -2.98 -0.30 0.00 -0.02 0.00 0.00 54.58 51.25 2bux n ASN 361 Cb 0.16 -0.60 -0.13 0.00 -2.36 0.00 0.00 39.78 36.84 2bux n ASN 361 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2bux s ASP 362 N -1.46 3.92 0.15 0.53 3.68 -0.61 -1.72 116.67 121.16 2bux s ASP 362 Ca 0.47 -2.76 0.22 0.00 2.13 0.00 0.00 52.55 52.61 2bux s ASP 362 Cb 0.37 -1.27 0.88 0.00 -1.45 0.00 0.00 42.92 41.45 2bux s ASP 362 CO 0.12 -0.26 1.67 0.18 0.13 0.00 0.00 175.17 177.02 2bux n LEU 363 N 3.39 0.44 -0.04 -1.34 4.32 -0.05 -0.33 117.00 123.40 2bux n LEU 363 Ca 0.07 0.59 -0.16 0.00 -0.02 0.00 0.00 56.01 56.49 2bux n LEU 363 Cb 0.34 -0.51 -0.08 0.00 -1.62 0.00 0.00 43.42 41.55 2bux n LEU 363 CO 0.28 -0.36 0.39 0.40 -1.22 0.00 0.00 177.39 176.88 2bux h ILE 364 N 0.00 1.36 0.00 -0.08 2.04 -1.88 -3.38 117.51 115.57 2bux h ILE 364 Ca 0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.09 2bux h ILE 364 Cb 0.40 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2bux h ILE 364 CO 0.00 0.54 -1.72 0.18 0.00 0.00 0.00 178.15 177.15 2bux n LEU 365 N -4.24 0.17 0.00 1.44 4.77 -1.10 -4.37 117.00 113.67 2bux n LEU 365 Ca -0.07 -0.10 0.06 0.00 -0.03 0.00 0.00 56.01 55.87 2bux n LEU 365 Cb 0.58 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.98 2bux n LEU 365 CO 0.46 0.04 0.67 -0.46 -1.33 0.00 0.00 177.39 176.77 2bux n ASN 366 N -2.05 0.00 -0.38 -1.43 0.23 0.55 -2.37 115.26 109.81 2bux n ASN 366 Ca -0.02 0.22 0.01 0.00 -0.53 0.00 0.00 54.58 54.26 2bux n ASN 366 Cb 0.48 -0.35 0.02 0.00 -2.08 0.00 0.00 39.78 37.84 2bux n ASN 366 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bux n TYR 367 N -1.35 0.00 -2.65 -2.53 9.36 -1.26 -5.00 117.16 113.74 2bux n TYR 367 Ca 0.05 -0.12 -0.43 0.00 3.32 0.00 0.00 57.90 60.72 2bux n TYR 367 Cb 0.11 -0.06 -0.02 0.00 -0.63 0.00 0.00 39.34 38.75 2bux n TYR 367 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bux s ALA 368 N -0.34 3.55 0.00 2.98 0.00 -1.00 -4.27 121.76 122.68 2bux s ALA 368 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2bux s ALA 368 Cb 0.03 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2bux s ALA 368 CO 0.00 -0.85 0.00 1.63 0.00 0.00 0.00 175.76 176.55 2bux n LYS 369 N 5.70 0.00 0.00 0.00 4.76 -1.26 -4.83 118.16 122.53 2bux n LYS 369 Ca 0.11 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.65 2bux n LYS 369 Cb 0.47 -0.35 -0.04 0.00 -1.84 0.00 0.00 35.03 33.27 2bux n LYS 369 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2bux n ASP 370 N -2.26 1.64 -0.67 4.39 8.00 -1.26 -5.04 116.55 121.34 2bux n ASP 370 Ca 0.00 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.18 2bux n ASP 370 Cb 0.00 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2bux n ASP 370 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bux n GLY 371 N 1.41 1.05 3.89 0.44 0.00 -1.26 -5.15 105.19 105.57 2bux n GLY 371 Ca 0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2bux n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bux s LEU 372 N 0.00 4.03 0.69 0.99 1.43 -1.26 -4.71 118.68 119.85 2bux s LEU 372 Ca 0.00 0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 2bux s LEU 372 Cb 0.00 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.59 2bux s LEU 372 CO 0.00 -0.22 1.12 -2.16 0.23 0.00 0.00 176.35 175.31 2bux s PRO 373 N -3.52 2.61 0.08 1.29 0.04 -1.26 -4.85 135.00 129.40 2bux s PRO 373 Ca 0.46 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.69 2bux s PRO 373 Cb -0.11 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2bux s PRO 373 CO 0.29 -1.40 0.57 0.42 0.04 0.00 0.00 177.00 176.93 2bux s ILE 374 N -2.41 4.74 -4.20 0.56 -1.09 -1.26 -4.99 121.20 112.54 2bux s ILE 374 Ca 0.67 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 2bux s ILE 374 Cb -0.21 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2bux s ILE 374 CO 0.45 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.30 2bux n GLY 375 N 1.64 0.98 3.65 6.18 0.00 -1.26 -4.49 105.19 111.90 2bux n GLY 375 Ca -0.10 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 2bux n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bux s GLU 376 N -1.13 4.23 -0.12 1.61 2.02 -1.26 -4.90 118.70 119.14 2bux s GLU 376 Ca 0.00 1.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.82 2bux s GLU 376 Cb 0.00 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 2bux s GLU 376 CO 0.00 -0.55 1.28 1.03 0.02 0.00 0.00 175.26 177.05 2bux s ARG 377 N 2.92 4.26 0.01 1.61 0.52 -1.26 -0.34 118.95 126.67 2bux s ARG 377 Ca 0.39 1.72 -0.01 0.00 -0.52 0.00 0.00 55.73 57.31 2bux s ARG 377 Cb -0.15 -3.72 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 2bux s ARG 377 CO 0.07 -0.65 -0.01 0.14 0.02 0.00 0.00 175.30 174.87 2bux s VAL 378 N 3.18 0.07 -0.08 3.52 -7.23 -0.41 -1.77 120.40 117.69 2bux s VAL 378 Ca 0.57 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 60.13 2bux s VAL 378 Cb -0.24 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 2bux s VAL 378 CO 0.18 -0.33 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.01 2bux s ILE 379 N -0.97 4.26 -0.08 -0.62 1.01 -0.07 -0.96 121.20 123.78 2bux s ILE 379 Ca -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2bux s ILE 379 Cb -0.07 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.61 2bux s ILE 379 CO -0.01 0.58 -0.17 -0.69 0.00 0.00 0.00 174.94 174.66 2bux s VAL 380 N -0.90 1.53 0.18 2.92 1.01 -0.34 -0.57 120.40 124.23 2bux s VAL 380 Ca 0.14 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2bux s VAL 380 Cb -0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2bux s VAL 380 CO 0.03 0.44 0.23 -1.38 0.00 0.00 0.00 175.10 174.43 2bux s HIS 381 N 0.48 0.68 -3.24 5.22 -3.43 -0.53 -1.48 115.29 113.00 2bux s HIS 381 Ca -0.15 -1.01 0.00 0.00 -0.80 0.00 0.00 55.06 53.09 2bux s HIS 381 Cb -0.16 -0.23 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 2bux s HIS 381 CO 0.06 -0.71 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 2bux n GLY 382 N -0.24 -1.22 3.30 -1.38 0.00 -0.98 -0.58 105.19 104.09 2bux n GLY 382 Ca -0.03 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 2bux n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bux s TYR 383 N -3.00 2.04 -0.19 1.61 1.51 -1.26 -1.37 117.35 116.70 2bux s TYR 383 Ca 0.00 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2bux s TYR 383 Cb 0.00 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2bux s TYR 383 CO 0.00 0.13 -0.05 0.08 -1.11 0.00 0.00 175.55 174.60 2bux s VAL 384 N -0.84 3.49 0.20 0.71 1.01 0.41 -1.00 120.40 124.37 2bux s VAL 384 Ca 0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2bux s VAL 384 Cb -0.09 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2bux s VAL 384 CO 0.02 0.45 0.10 0.00 0.00 0.00 0.00 175.10 175.68 2bux s ARG 385 N 1.01 1.20 0.61 2.72 1.70 -0.52 -1.58 118.95 124.10 2bux s ARG 385 Ca 0.00 -1.63 0.04 0.00 -0.47 0.00 0.00 55.73 53.67 2bux s ARG 385 Cb -0.15 0.08 0.08 0.00 -0.57 0.00 0.00 34.95 34.40 2bux s ARG 385 CO 0.00 -0.32 0.85 0.16 -1.08 0.00 0.00 175.30 174.91 2bux s ASP 386 N -3.18 4.89 0.64 -2.89 3.84 0.70 -0.53 116.67 120.14 2bux s ASP 386 Ca 0.35 -0.44 0.42 0.00 -0.00 0.00 0.00 52.55 52.87 2bux s ASP 386 Cb 0.07 -0.16 2.22 0.00 -1.38 0.00 0.00 42.92 43.68 2bux s ASP 386 CO 0.10 -1.45 2.31 0.06 -0.00 0.00 0.00 175.17 176.19 2bux h GLN 387 N -0.08 0.00 -0.59 2.11 3.07 -0.85 0.11 115.11 118.89 2bux h GLN 387 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 2bux h GLN 387 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2bux h GLN 387 CO 0.43 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.55 2bux n PHE 388 N -3.18 0.98 -1.00 0.06 3.01 -1.26 -4.93 117.46 111.14 2bux n PHE 388 Ca -0.03 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.03 2bux n PHE 388 Cb 0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2bux n PHE 388 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bux n GLY 389 N 1.00 0.53 3.78 1.37 0.00 0.39 -5.04 105.19 107.22 2bux n GLY 389 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2bux n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bux s ARG 390 N -0.09 4.52 0.63 1.61 0.52 -1.25 -4.76 118.95 120.13 2bux s ARG 390 Ca 0.00 1.13 -0.17 0.00 -0.52 0.00 0.00 55.73 56.17 2bux s ARG 390 Cb 0.00 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 2bux s ARG 390 CO 0.00 0.52 1.17 -1.25 0.02 0.00 0.00 175.30 175.76 2bux s PRO 391 N -1.36 2.82 -0.34 3.54 0.04 -1.26 -0.21 135.00 138.23 2bux s PRO 391 Ca 0.38 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2bux s PRO 391 Cb -0.22 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.43 2bux s PRO 391 CO 0.25 -1.29 0.11 0.08 0.04 0.00 0.00 177.00 176.19 2bux s VAL 392 N -1.91 3.82 -0.05 -0.36 1.01 -0.61 -4.77 120.40 117.53 2bux s VAL 392 Ca 0.73 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2bux s VAL 392 Cb -0.26 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2bux s VAL 392 CO 0.37 -0.18 0.28 -0.54 0.00 0.00 0.00 175.10 175.02 2bux s LYS 393 N 1.41 3.68 -1.44 2.72 1.02 -1.26 -3.95 119.74 121.91 2bux s LYS 393 Ca -0.02 0.13 -0.10 0.00 0.02 0.00 0.00 55.97 56.00 2bux s LYS 393 Cb -0.19 -3.19 0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2bux s LYS 393 CO 0.03 0.73 1.03 0.09 -0.92 0.00 0.00 175.35 176.30 2bux n ASN 394 N 1.83 -4.83 -4.86 2.83 3.02 -0.73 -4.94 115.26 107.58 2bux n ASN 394 Ca -0.16 -0.70 -0.34 0.00 -0.03 0.00 0.00 54.58 53.35 2bux n ASN 394 Cb 0.54 -4.35 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 2bux n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bux s ALA 395 N -3.35 3.59 -0.24 5.41 0.00 -1.26 -4.77 121.76 121.14 2bux s ALA 395 Ca 0.54 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.08 2bux s ALA 395 Cb -0.26 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2bux s ALA 395 CO 0.79 0.49 0.68 -1.17 0.00 0.00 0.00 175.76 176.55 2bux s LEU 396 N -2.26 4.08 -0.24 0.00 2.96 -0.08 -1.98 118.68 121.16 2bux s LEU 396 Ca 0.41 0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 55.08 2bux s LEU 396 Cb -0.14 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2bux s LEU 396 CO 0.20 -0.40 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.13 2bux s VAL 397 N 2.52 3.58 -0.02 1.68 1.01 0.29 -1.72 120.40 127.73 2bux s VAL 397 Ca 0.29 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2bux s VAL 397 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2bux s VAL 397 CO 0.08 0.36 -0.21 -1.61 0.00 0.00 0.00 175.10 173.72 2bux s GLU 398 N 1.50 2.24 0.11 2.72 2.02 -0.40 -1.22 118.70 125.67 2bux s GLU 398 Ca 0.05 -0.85 0.06 0.00 0.02 0.00 0.00 54.97 54.24 2bux s GLU 398 Cb -0.15 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 2bux s GLU 398 CO -0.01 0.58 -0.14 0.14 0.02 0.00 0.00 175.26 175.85 2bux s VAL 399 N -0.69 1.28 0.04 2.63 -7.23 -0.42 -0.94 120.40 115.07 2bux s VAL 399 Ca 0.11 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 2bux s VAL 399 Cb -0.10 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.39 2bux s VAL 399 CO 0.00 -0.40 0.35 -1.66 -0.31 0.00 0.00 175.10 173.08 2bux s TRP 400 N -2.07 -0.18 0.11 2.82 -2.14 -0.67 -1.96 118.94 114.86 2bux s TRP 400 Ca 0.07 0.08 -0.26 0.00 2.66 0.00 0.00 56.10 58.65 2bux s TRP 400 Cb -0.05 0.15 0.08 0.00 -3.10 0.00 0.00 33.47 30.55 2bux s TRP 400 CO 0.03 -0.54 1.00 1.14 -2.66 0.00 0.00 176.95 175.92 2bux s GLN 401 N -2.53 1.03 0.83 3.25 -2.07 -0.16 -1.16 119.66 118.85 2bux s GLN 401 Ca -0.05 -0.55 -0.12 0.00 -1.82 0.00 0.00 55.36 52.82 2bux s GLN 401 Cb -0.01 0.36 0.11 0.00 -1.09 0.00 0.00 33.01 32.38 2bux s GLN 401 CO -0.03 -0.47 1.19 0.00 -1.32 0.00 0.00 175.29 174.66 2bux s ALA 402 N -3.14 2.64 0.56 2.60 0.00 -1.26 -4.65 121.76 118.52 2bux s ALA 402 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2bux s ALA 402 Cb -0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2bux s ALA 402 CO -0.00 -1.80 0.00 0.27 0.00 0.00 0.00 175.76 174.23 2bux n ASN 403 N -3.36 0.00 0.28 0.00 2.04 -0.06 -4.51 115.26 109.64 2bux n ASN 403 Ca 0.10 -0.67 0.14 0.00 -0.44 0.00 0.00 54.58 53.71 2bux n ASN 403 Cb 0.61 0.00 0.81 0.00 -2.53 0.00 0.00 39.78 38.66 2bux n ASN 403 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2bux h ALA 404 N -1.13 1.31 -0.00 -2.53 0.00 -1.79 -1.24 119.26 113.88 2bux h ALA 404 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bux h ALA 404 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bux h ALA 404 CO 0.00 0.10 -0.25 0.43 0.00 0.00 0.00 179.25 179.53 2bux n SER 405 N -3.62 0.33 0.00 0.00 7.64 -1.26 -3.23 113.62 113.48 2bux n SER 405 Ca -0.02 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2bux n SER 405 Cb 0.19 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2bux n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bux n GLY 406 N 1.46 0.69 3.59 0.23 0.00 -0.56 -4.69 105.19 105.91 2bux n GLY 406 Ca 0.08 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 2bux n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bux s ARG 407 N -1.05 3.46 0.17 1.61 6.06 -1.26 -4.74 118.95 123.20 2bux s ARG 407 Ca 0.00 -0.45 -0.11 0.00 -2.50 0.00 0.00 55.73 52.67 2bux s ARG 407 Cb 0.00 -2.91 -0.07 0.00 0.06 0.00 0.00 34.95 32.03 2bux s ARG 407 CO 0.00 0.42 0.51 0.71 -2.50 0.00 0.00 175.30 174.44 2bux s TYR 408 N -0.10 3.51 -1.32 5.12 2.02 -1.26 -0.88 117.35 124.43 2bux s TYR 408 Ca 0.04 0.89 -0.13 0.00 -0.37 0.00 0.00 57.07 57.49 2bux s TYR 408 Cb -0.13 -2.25 0.12 0.00 -0.40 0.00 0.00 41.96 39.29 2bux s TYR 408 CO 0.02 0.38 1.86 -2.13 -1.57 0.00 0.00 175.55 174.11 2bux n ARG 409 N 0.35 3.28 -3.64 -0.62 0.63 -1.26 -4.76 116.66 110.65 2bux n ARG 409 Ca -0.03 -3.29 -0.09 0.00 -0.92 0.00 0.00 57.85 53.52 2bux n ARG 409 Cb 0.52 -3.15 -0.07 0.00 0.45 0.00 0.00 32.46 30.21 2bux n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2bux s HIS 410 N 2.09 -0.90 0.56 -0.14 2.46 -1.26 -5.05 115.29 113.06 2bux s HIS 410 Ca 0.45 1.93 0.35 0.00 0.47 0.00 0.00 55.06 58.25 2bux s HIS 410 Cb 0.07 0.47 1.46 0.00 -0.13 0.00 0.00 32.58 34.46 2bux s HIS 410 CO -0.01 -0.44 1.73 -1.35 -2.47 0.00 0.00 174.74 172.20 2bux h PRO 411 N 6.06 0.00 -0.90 2.88 0.11 -2.06 -0.29 132.00 137.79 2bux h PRO 411 Ca -0.29 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.86 2bux h PRO 411 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2bux h PRO 411 CO 0.12 0.00 0.59 -0.91 -0.21 0.00 0.00 178.00 177.59 2bux h ASN 412 N 0.00 0.96 -3.65 -2.05 -0.26 -1.96 -3.39 115.58 105.22 2bux h ASN 412 Ca 0.51 -0.01 -0.57 0.00 -0.56 0.00 0.00 56.30 55.68 2bux h ASN 412 Cb 2.26 -0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 39.23 2bux h ASN 412 CO -0.01 0.65 0.88 -0.62 -1.06 0.00 0.00 177.43 177.27 2bux s ASP 413 N -6.09 6.66 -0.24 5.81 3.68 -0.12 -4.88 116.67 121.48 2bux s ASP 413 Ca -0.12 0.51 0.12 0.00 2.13 0.00 0.00 52.55 55.20 2bux s ASP 413 Cb 0.19 -2.54 0.51 0.00 -1.45 0.00 0.00 42.92 39.63 2bux s ASP 413 CO 0.80 -1.18 1.45 0.00 0.13 0.00 0.00 175.17 176.37 2bux n GLN 414 N 7.64 2.28 -2.07 4.34 1.13 -1.26 -4.86 117.38 124.58 2bux n GLN 414 Ca 0.11 -3.01 -0.38 0.00 -1.94 0.00 0.00 57.00 51.79 2bux n GLN 414 Cb 0.49 -1.83 0.01 0.00 0.11 0.00 0.00 30.24 29.02 2bux n GLN 414 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2bux s TYR 415 N -3.06 2.66 -0.33 1.08 5.04 -1.26 -4.90 117.35 116.57 2bux s TYR 415 Ca 0.43 1.46 0.25 0.00 -2.44 0.00 0.00 57.07 56.78 2bux s TYR 415 Cb 0.38 -3.56 1.10 0.00 0.35 0.00 0.00 41.96 40.22 2bux s TYR 415 CO 0.04 -2.07 1.75 0.97 -1.34 0.00 0.00 175.55 174.91 2bux h ILE 416 N 1.78 0.00 -2.85 3.14 2.10 -1.98 -3.43 117.51 116.27 2bux h ILE 416 Ca -0.50 -0.22 -0.58 0.00 1.08 0.00 0.00 64.86 64.64 2bux h ILE 416 Cb 1.27 0.95 0.09 0.00 -1.09 0.00 0.00 36.82 38.04 2bux h ILE 416 CO 0.59 0.00 0.55 0.61 -1.08 0.00 0.00 178.15 178.83 2bux n GLY 417 N -0.23 0.66 3.77 8.18 0.00 -1.26 -4.87 105.19 111.43 2bux n GLY 417 Ca 0.01 0.43 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 2bux n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bux s ALA 418 N -0.41 3.23 0.59 4.61 0.00 -1.26 -4.78 121.76 123.73 2bux s ALA 418 Ca 0.64 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 2bux s ALA 418 Cb -0.63 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 2bux s ALA 418 CO 0.54 -0.44 1.07 -1.64 0.00 0.00 0.00 175.76 175.29 2bux s MET 419 N -2.11 3.26 -0.24 0.00 -1.94 -1.26 -4.60 119.30 112.41 2bux s MET 419 Ca 0.54 1.30 0.01 0.00 -1.71 0.00 0.00 55.69 55.83 2bux s MET 419 Cb -0.31 -2.02 0.04 0.00 2.01 0.00 0.00 34.83 34.55 2bux s MET 419 CO 0.39 -0.87 -0.12 0.34 -0.01 0.00 0.00 175.02 174.76 2bux s ASP 420 N -2.55 4.10 0.44 3.03 -1.08 -1.26 -4.99 116.67 114.36 2bux s ASP 420 Ca 0.66 -1.08 0.30 0.00 -0.52 0.00 0.00 52.55 51.91 2bux s ASP 420 Cb -0.18 -1.57 1.60 0.00 -1.46 0.00 0.00 42.92 41.32 2bux s ASP 420 CO 0.35 -0.13 1.92 1.55 0.52 0.00 0.00 175.17 179.38 2bux h PRO 421 N 7.88 0.00 -0.48 4.34 0.13 -1.97 -2.48 132.00 139.42 2bux h PRO 421 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2bux h PRO 421 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2bux h PRO 421 CO 0.54 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 2bux n ASN 422 N -2.57 3.79 -4.14 1.44 5.03 -1.26 -4.68 115.26 112.88 2bux n ASN 422 Ca -0.02 -2.30 -0.28 0.00 0.87 0.00 0.00 54.58 52.85 2bux n ASN 422 Cb 0.07 -0.43 -0.17 0.00 -1.02 0.00 0.00 39.78 38.24 2bux n ASN 422 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2bux s PHE 423 N -1.56 2.04 -0.23 3.10 2.19 -0.94 -3.72 117.98 118.87 2bux s PHE 423 Ca 0.39 -0.77 -0.15 0.00 0.33 0.00 0.00 56.93 56.72 2bux s PHE 423 Cb 0.24 -1.40 -0.09 0.00 -1.31 0.00 0.00 43.02 40.46 2bux s PHE 423 CO 0.20 -0.33 -0.35 0.41 1.83 0.00 0.00 175.22 176.99 2bux n GLY 424 N 3.56 -0.48 0.25 13.12 0.00 -1.26 -4.82 105.19 115.56 2bux n GLY 424 Ca -0.20 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2bux n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bux n GLY 425 N 1.37 0.93 3.09 -0.02 0.00 -1.26 -4.64 105.19 104.65 2bux n GLY 425 Ca -0.37 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 2bux n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bux s GLY 427 N -0.64 0.27 0.18 0.00 0.00 -0.83 -4.79 107.32 101.51 2bux s GLY 427 Ca 0.03 -0.62 -0.23 0.00 0.00 0.00 0.00 44.72 43.90 2bux s GLY 427 CO 0.00 -0.45 0.65 1.09 0.00 0.00 0.00 173.10 174.39 2bux s ARG 428 N -3.96 1.38 0.11 2.90 1.70 -0.48 -1.30 118.95 119.29 2bux s ARG 428 Ca 0.17 -0.59 -0.26 0.00 -0.47 0.00 0.00 55.73 54.58 2bux s ARG 428 Cb -0.02 0.58 0.08 0.00 -0.57 0.00 0.00 34.95 35.02 2bux s ARG 428 CO 0.05 -0.61 0.98 0.00 -1.08 0.00 0.00 175.30 174.64 2bux s MET 429 N -3.75 1.05 -0.06 3.89 0.23 -0.36 -3.17 119.30 117.12 2bux s MET 429 Ca 0.04 -0.55 0.02 0.00 -1.03 0.00 0.00 55.69 54.16 2bux s MET 429 Cb -0.02 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2bux s MET 429 CO -0.08 -0.48 -0.10 -0.51 -2.03 0.00 0.00 175.02 171.82 2bux s LEU 430 N -2.86 2.98 0.70 0.18 1.43 -1.26 -0.55 118.68 119.30 2bux s LEU 430 Ca 0.11 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2bux s LEU 430 Cb -0.01 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2bux s LEU 430 CO -0.00 0.34 1.09 0.42 0.23 0.00 0.00 176.35 178.43 2bux s THR 431 N -0.71 3.44 0.00 5.49 -4.23 -0.84 -4.87 115.64 113.93 2bux s THR 431 Ca 0.11 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2bux s THR 431 Cb -0.11 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2bux s THR 431 CO 0.01 -0.52 0.00 -0.90 -0.54 0.00 0.00 174.62 172.67 2bux n ASP 432 N -2.92 0.00 0.31 3.99 5.68 -0.67 -1.77 116.55 121.17 2bux n ASP 432 Ca 0.09 -0.76 0.20 0.00 -0.50 0.00 0.00 54.79 53.83 2bux n ASP 432 Cb 0.53 0.00 1.00 0.00 -1.14 0.00 0.00 41.12 41.51 2bux n ASP 432 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bux h ASP 433 N 0.00 0.00 -0.43 -1.12 3.32 -1.91 -0.23 116.42 116.04 2bux h ASP 433 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bux h ASP 433 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bux h ASP 433 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 2bux n ASN 434 N -3.10 3.19 0.00 6.45 3.02 -1.26 -4.76 115.26 118.80 2bux n ASN 434 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2bux n ASN 434 Cb 0.17 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 2bux n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bux n GLY 435 N 1.46 0.50 3.78 7.41 0.00 -0.10 -4.73 105.19 113.51 2bux n GLY 435 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2bux n GLY 435 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bux s TYR 436 N -2.08 3.61 0.04 1.61 5.04 -1.26 -0.45 117.35 123.87 2bux s TYR 436 Ca 0.00 1.75 -0.02 0.00 -2.44 0.00 0.00 57.07 56.36 2bux s TYR 436 Cb 0.00 -2.94 -0.03 0.00 0.35 0.00 0.00 41.96 39.35 2bux s TYR 436 CO 0.00 0.10 -0.00 1.52 -1.34 0.00 0.00 175.55 175.82 2bux s TYR 437 N -1.68 0.38 -0.24 4.97 -0.85 -0.47 -1.67 117.35 117.79 2bux s TYR 437 Ca 0.52 -0.81 -0.17 0.00 -0.52 0.00 0.00 57.07 56.09 2bux s TYR 437 Cb -0.18 -0.28 0.07 0.00 0.38 0.00 0.00 41.96 41.94 2bux s TYR 437 CO 0.23 -0.33 0.60 0.54 -1.52 0.00 0.00 175.55 175.06 2bux s VAL 438 N -3.04 -0.01 0.15 -3.49 0.11 -1.26 -2.33 120.40 110.54 2bux s VAL 438 Ca -0.01 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2bux s VAL 438 Cb 0.02 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2bux s VAL 438 CO -0.07 0.01 0.09 0.72 -3.33 0.00 0.00 175.10 172.52 2bux s PHE 439 N 1.07 0.92 0.06 1.54 -0.71 -0.55 -4.94 117.98 115.37 2bux s PHE 439 Ca -0.06 -1.25 0.08 0.00 -1.04 0.00 0.00 56.93 54.65 2bux s PHE 439 Cb -0.05 -0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2bux s PHE 439 CO -0.10 -0.56 -0.21 0.50 -1.34 0.00 0.00 175.22 173.51 2bux s ARG 440 N -4.07 1.28 0.10 1.99 3.52 -0.70 -1.19 118.95 119.88 2bux s ARG 440 Ca 0.28 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 2bux s ARG 440 Cb 0.07 -1.45 0.02 0.00 -1.56 0.00 0.00 34.95 32.03 2bux s ARG 440 CO 0.04 0.36 0.26 -2.37 -0.81 0.00 0.00 175.30 172.79 2bux n THR 441 N 1.58 0.00 -4.05 4.11 5.66 -0.13 -0.87 114.28 120.58 2bux n THR 441 Ca -0.18 -0.27 -0.35 0.00 -3.05 0.00 0.00 64.05 60.20 2bux n THR 441 Cb 0.53 0.29 -0.09 0.00 -1.55 0.00 0.00 70.33 69.51 2bux n THR 441 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2bux s ILE 442 N -2.64 4.81 0.07 1.09 -1.09 -1.26 -1.29 121.20 120.89 2bux s ILE 442 Ca 0.05 -0.04 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 2bux s ILE 442 Cb -0.01 -3.13 -0.09 0.00 -1.58 0.00 0.00 42.46 37.65 2bux s ILE 442 CO 0.03 0.51 1.81 -0.75 -1.23 0.00 0.00 174.94 175.31 2bux s LYS 443 N -0.05 4.16 0.57 2.79 2.20 0.53 -4.88 119.74 125.06 2bux s LYS 443 Ca 0.06 2.50 -0.19 0.00 -0.36 0.00 0.00 55.97 57.99 2bux s LYS 443 Cb -0.12 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 2bux s LYS 443 CO 0.01 -0.85 1.17 -1.25 -0.36 0.00 0.00 175.35 174.07 2bux s PRO 444 N 3.34 3.13 0.32 4.03 0.04 -1.26 -4.32 135.00 140.28 2bux s PRO 444 Ca 0.81 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 2bux s PRO 444 Cb -0.42 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2bux s PRO 444 CO 0.36 -1.05 0.57 0.20 0.04 0.00 0.00 177.00 177.12 2bux s GLY 445 N -1.73 1.70 1.00 0.56 0.00 -0.68 -4.67 107.32 103.50 2bux s GLY 445 Ca 0.75 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 44.71 2bux s GLY 445 CO 0.31 -0.54 1.08 -4.14 0.00 0.00 0.00 173.10 169.81 2bux s PRO 446 N -3.83 0.37 0.08 2.90 0.02 -1.26 -4.03 135.00 129.25 2bux s PRO 446 Ca 0.43 0.96 -0.20 0.00 0.02 0.00 0.00 61.00 62.22 2bux s PRO 446 Cb -0.10 -1.70 0.05 0.00 0.02 0.00 0.00 34.50 32.77 2bux s PRO 446 CO 0.33 -2.89 0.47 1.52 -0.33 0.00 0.00 177.00 176.10 2bux s TYR 447 N -2.71 -0.33 0.42 6.54 -0.85 -1.16 -4.24 117.35 115.03 2bux s TYR 447 Ca 0.66 0.22 -0.12 0.00 -0.52 0.00 0.00 57.07 57.31 2bux s TYR 447 Cb -0.21 0.31 -0.07 0.00 0.38 0.00 0.00 41.96 42.37 2bux s TYR 447 CO 0.60 -0.67 0.81 -1.25 -1.52 0.00 0.00 175.55 173.52 2bux s PRO 448 N -3.04 3.83 0.13 -3.49 0.04 -1.26 -0.58 135.00 130.63 2bux s PRO 448 Ca -0.02 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 2bux s PRO 448 Cb 0.00 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2bux s PRO 448 CO -0.06 -0.07 0.37 1.67 0.04 0.00 0.00 177.00 178.94 2bux s TRP 449 N -2.40 -0.09 -0.55 0.56 1.48 -0.69 -4.90 118.94 112.35 2bux s TRP 449 Ca 0.53 -0.26 -0.18 0.00 -1.06 0.00 0.00 56.10 55.14 2bux s TRP 449 Cb -0.10 0.19 0.10 0.00 -1.16 0.00 0.00 33.47 32.50 2bux s TRP 449 CO 0.30 -0.70 0.59 0.50 -4.06 0.00 0.00 176.95 173.59 2bux s ARG 450 N -3.83 3.03 0.00 3.25 3.52 -1.26 -3.63 118.95 120.03 2bux s ARG 450 Ca 0.05 -1.39 0.00 0.00 -0.13 0.00 0.00 55.73 54.26 2bux s ARG 450 Cb 0.02 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.17 2bux s ARG 450 CO -0.10 -1.37 0.00 -1.71 -0.81 0.00 0.00 175.30 171.31 2bux n ASN 451 N 5.83 0.00 -4.91 -2.12 5.15 -1.26 -5.00 115.26 112.95 2bux n ASN 451 Ca -0.11 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.60 2bux n ASN 451 Cb 0.42 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.68 2bux n ASN 451 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2bux s ARG 452 N 0.00 3.35 0.37 1.20 0.52 -1.26 -4.98 118.95 118.15 2bux s ARG 452 Ca 0.00 0.10 0.05 0.00 -0.52 0.00 0.00 55.73 55.36 2bux s ARG 452 Cb 0.00 -2.36 0.73 0.00 0.52 0.00 0.00 34.95 33.84 2bux s ARG 452 CO 0.00 -0.34 2.00 0.97 0.02 0.00 0.00 175.30 177.95 2bux h ILE 453 N 0.13 1.09 -1.26 1.52 6.09 -1.94 -2.92 117.51 120.22 2bux h ILE 453 Ca -0.46 -0.26 -0.67 0.00 -1.37 0.00 0.00 64.86 62.10 2bux h ILE 453 Cb 1.22 0.27 -0.32 0.00 0.47 0.00 0.00 36.82 38.46 2bux h ILE 453 CO 0.61 0.14 0.45 -3.20 -3.07 0.00 0.00 178.15 173.07 2bux n ASN 454 N -4.46 6.85 -4.81 2.19 2.85 -1.26 -4.78 115.26 111.83 2bux n ASN 454 Ca 0.08 -3.79 -0.36 0.00 -0.11 0.00 0.00 54.58 50.40 2bux n ASN 454 Cb 0.13 -0.83 -0.06 0.00 1.24 0.00 0.00 39.78 40.25 2bux n ASN 454 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2bux s GLU 455 N -3.82 4.32 -0.03 1.20 2.56 -1.11 -5.01 118.70 116.81 2bux s GLU 455 Ca 0.57 0.99 0.00 0.00 0.00 0.00 0.00 54.97 56.54 2bux s GLU 455 Cb 0.46 -2.77 0.03 0.00 2.00 0.00 0.00 34.13 33.85 2bux s GLU 455 CO -0.12 0.32 0.00 -1.58 -0.56 0.00 0.00 175.26 173.32 2bux s TRP 456 N -1.63 0.28 0.24 5.30 0.52 -1.26 -1.71 118.94 120.68 2bux s TRP 456 Ca 0.47 0.01 -0.25 0.00 0.02 0.00 0.00 56.10 56.35 2bux s TRP 456 Cb -0.16 -0.39 -0.09 0.00 -1.15 0.00 0.00 33.47 31.68 2bux s TRP 456 CO 0.21 -0.12 0.85 1.03 0.02 0.00 0.00 176.95 178.93 2bux s ARG 457 N 1.01 4.55 0.90 4.98 1.81 0.26 -4.75 118.95 127.71 2bux s ARG 457 Ca -0.10 1.21 -0.12 0.00 -1.72 0.00 0.00 55.73 55.00 2bux s ARG 457 Cb -0.13 -3.03 0.13 0.00 -0.45 0.00 0.00 34.95 31.47 2bux s ARG 457 CO -0.02 0.43 1.10 -2.14 -0.68 0.00 0.00 175.30 173.99 2bux s PRO 458 N -1.64 1.22 0.40 3.54 0.02 -1.26 -2.96 135.00 134.32 2bux s PRO 458 Ca 0.43 0.60 -0.27 0.00 0.02 0.00 0.00 61.00 61.78 2bux s PRO 458 Cb -0.21 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 2bux s PRO 458 CO 0.25 -2.21 1.47 0.00 -0.33 0.00 0.00 177.00 176.18 2bux s ALA 459 N -3.06 3.48 0.09 -1.55 0.00 -1.26 -4.72 121.76 114.74 2bux s ALA 459 Ca 0.63 1.55 -0.26 0.00 0.00 0.00 0.00 51.96 53.89 2bux s ALA 459 Cb -0.17 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.42 2bux s ALA 459 CO 0.56 -1.10 0.63 -3.38 0.00 0.00 0.00 175.76 172.46 2bux s HIS 460 N -1.14 -0.58 -0.11 0.00 -3.43 -1.26 -4.23 115.29 104.54 2bux s HIS 460 Ca 0.55 0.59 0.03 0.00 -0.80 0.00 0.00 55.06 55.43 2bux s HIS 460 Cb -0.46 0.51 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 2bux s HIS 460 CO 0.61 -0.77 -0.21 0.42 -2.00 0.00 0.00 174.74 172.79 2bux s ILE 461 N -2.93 1.87 0.25 -5.38 1.01 -0.81 -4.65 121.20 110.55 2bux s ILE 461 Ca -0.03 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 2bux s ILE 461 Cb -0.01 -1.64 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 2bux s ILE 461 CO -0.06 0.52 0.84 -1.00 0.00 0.00 0.00 174.94 175.24 2bux s HIS 462 N 0.59 3.78 0.05 3.97 3.76 -0.30 -1.45 115.29 125.68 2bux s HIS 462 Ca -0.14 1.67 -0.04 0.00 -0.15 0.00 0.00 55.06 56.40 2bux s HIS 462 Cb -0.17 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 2bux s HIS 462 CO 0.04 0.36 0.05 -0.59 -0.85 0.00 0.00 174.74 173.75 2bux s PHE 463 N -1.41 0.31 -0.03 1.40 -0.12 -0.58 -1.66 117.98 115.89 2bux s PHE 463 Ca 0.43 -0.71 -0.02 0.00 -0.05 0.00 0.00 56.93 56.58 2bux s PHE 463 Cb -0.20 -0.22 0.01 0.00 -0.63 0.00 0.00 43.02 41.97 2bux s PHE 463 CO 0.25 -0.37 0.07 0.45 -0.05 0.00 0.00 175.22 175.57 2bux s SER 464 N -2.41 -0.07 -0.06 1.98 0.15 -0.12 -0.98 113.70 112.19 2bux s SER 464 Ca -0.01 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.82 2bux s SER 464 Cb 0.02 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2bux s SER 464 CO -0.07 -0.04 -0.15 -0.76 1.20 0.00 0.00 173.24 173.42 2bux s LEU 465 N 0.20 1.79 -0.17 3.45 1.02 -0.24 -1.28 118.68 123.45 2bux s LEU 465 Ca -0.01 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.81 2bux s LEU 465 Cb -0.02 -0.90 0.03 0.00 0.02 0.00 0.00 46.19 45.32 2bux s LEU 465 CO -0.01 0.09 -0.13 -0.63 0.02 0.00 0.00 176.35 175.69 2bux s ILE 466 N 0.37 1.69 0.00 -0.59 1.01 -0.70 -3.02 121.20 119.96 2bux s ILE 466 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2bux s ILE 466 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2bux s ILE 466 CO 0.03 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.32 2bux n ALA 467 N 4.71 0.00 0.01 9.38 0.00 -1.26 -0.91 120.51 132.44 2bux n ALA 467 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 2bux n ALA 467 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 2bux n ALA 467 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bux h ASP 468 N 0.00 0.00 -4.25 0.00 5.19 -1.92 -3.43 116.42 112.01 2bux h ASP 468 Ca 0.00 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.99 2bux h ASP 468 Cb 0.00 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 39.25 2bux h ASP 468 CO 0.00 0.87 -0.78 -0.83 -3.12 0.00 0.00 179.24 175.37 2bux s GLY 469 N -4.93 0.63 0.41 2.75 0.00 -1.26 -2.96 107.32 101.95 2bux s GLY 469 Ca -0.03 -0.64 0.10 0.00 0.00 0.00 0.00 44.72 44.15 2bux s GLY 469 CO 0.82 -0.60 1.99 -0.25 0.00 0.00 0.00 173.10 175.05 2bux h TRP 470 N 5.34 0.56 0.00 1.90 2.91 -0.78 0.14 115.95 126.01 2bux h TRP 470 Ca -0.35 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.68 2bux h TRP 470 Cb 1.18 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 2bux h TRP 470 CO 0.48 0.29 -0.01 0.00 -1.03 0.00 0.00 178.44 178.17 2bux h ALA 471 N 1.68 1.21 0.00 2.65 0.00 -1.61 -1.75 119.26 121.44 2bux h ALA 471 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2bux h ALA 471 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bux h ALA 471 CO -0.08 0.01 -0.05 1.04 0.00 0.00 0.00 179.25 180.17 2bux n GLN 472 N -3.40 0.11 -1.63 0.00 6.02 0.48 -4.91 117.38 114.05 2bux n GLN 472 Ca -0.03 0.08 -0.56 0.00 -0.01 0.00 0.00 57.00 56.49 2bux n GLN 472 Cb 0.09 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 2bux n GLN 472 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2bux n ARG 473 N -1.81 0.98 -3.73 -1.09 3.00 -0.66 -4.80 116.66 108.55 2bux n ARG 473 Ca 0.06 0.36 -0.12 0.00 -0.00 0.00 0.00 57.85 58.15 2bux n ARG 473 Cb 0.38 -1.99 -0.11 0.00 0.00 0.00 0.00 32.46 30.74 2bux n ARG 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2bux s LEU 474 N 1.66 0.42 -0.02 6.15 2.96 -1.17 -5.04 118.68 123.65 2bux s LEU 474 Ca 0.91 0.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 2bux s LEU 474 Cb -1.06 1.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.80 2bux s LEU 474 CO 0.56 -0.15 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.62 2bux s ILE 475 N 0.66 1.55 0.00 6.68 1.01 -1.26 -1.08 121.20 128.77 2bux s ILE 475 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2bux s ILE 475 Cb -0.05 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.13 2bux s ILE 475 CO -0.04 0.44 0.00 -0.24 0.00 0.00 0.00 174.94 175.10 2bux n SER 476 N 2.61 0.00 -3.79 3.58 2.88 -0.16 -5.01 113.62 113.74 2bux n SER 476 Ca -0.15 -0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.10 2bux n SER 476 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 2bux n SER 476 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2bux s GLN 477 N 0.51 0.43 0.24 -1.46 -0.21 -1.26 -1.53 119.66 116.37 2bux s GLN 477 Ca 0.00 0.14 0.10 0.00 0.02 0.00 0.00 55.36 55.63 2bux s GLN 477 Cb 0.00 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 34.16 2bux s GLN 477 CO 0.00 -0.08 -0.12 -0.59 -2.12 0.00 0.00 175.29 172.38 2bux s PHE 478 N -0.41 2.50 0.46 0.91 -0.12 -0.53 -4.87 117.98 115.92 2bux s PHE 478 Ca -0.05 -0.27 0.03 0.00 -0.05 0.00 0.00 56.93 56.58 2bux s PHE 478 Cb -0.03 -1.14 -0.03 0.00 -0.63 0.00 0.00 43.02 41.18 2bux s PHE 478 CO 0.01 0.62 0.03 0.71 -0.05 0.00 0.00 175.22 176.54 2bux s TYR 479 N -2.18 1.99 -0.12 3.49 1.51 0.68 -1.93 117.35 120.81 2bux s TYR 479 Ca 0.28 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 2bux s TYR 479 Cb -0.07 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2bux s TYR 479 CO 0.16 0.18 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.60 2bux s PHE 480 N -2.92 2.81 0.09 2.71 0.40 -1.26 -0.25 117.98 119.56 2bux s PHE 480 Ca 0.16 -0.51 -0.36 0.00 -0.60 0.00 0.00 56.93 55.62 2bux s PHE 480 Cb 0.04 -1.81 -0.17 0.00 0.51 0.00 0.00 43.02 41.58 2bux s PHE 480 CO 0.09 -0.11 1.19 -1.91 0.70 0.00 0.00 175.22 175.17 2bux n GLU 481 N 3.27 0.78 -0.20 0.44 2.13 -0.44 -1.90 120.64 124.73 2bux n GLU 481 Ca -0.18 0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2bux n GLU 481 Cb 0.53 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2bux n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bux n GLY 482 N 2.11 2.20 3.67 8.31 0.00 -1.26 -4.96 105.19 115.26 2bux n GLY 482 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2bux n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bux n ASP 483 N 0.00 4.07 0.20 1.61 4.64 -0.80 -4.86 116.55 121.41 2bux n ASP 483 Ca 0.00 0.94 0.14 0.00 -1.38 0.00 0.00 54.79 54.49 2bux n ASP 483 Cb 0.00 -1.52 0.61 0.00 -1.04 0.00 0.00 41.12 39.17 2bux n ASP 483 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2bux h THR 484 N 5.28 0.00 0.00 5.18 1.35 -1.95 -2.83 112.91 119.95 2bux h THR 484 Ca -0.49 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2bux h THR 484 Cb 1.24 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2bux h THR 484 CO 0.94 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 176.14 2bux h LEU 485 N 0.00 0.00 -1.52 3.87 3.38 -1.96 -3.13 115.31 115.95 2bux h LEU 485 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2bux h LEU 485 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2bux h LEU 485 CO 0.00 0.00 0.41 0.40 0.09 0.00 0.00 178.44 179.34 2bux h ILE 486 N 0.00 0.99 0.00 1.22 2.04 -1.89 -2.15 117.51 117.72 2bux h ILE 486 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2bux h ILE 486 Cb 0.57 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2bux h ILE 486 CO 0.00 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.73 2bux n ASP 487 N -4.48 0.57 -0.17 1.72 8.00 -1.18 -3.51 116.55 117.50 2bux n ASP 487 Ca 0.09 0.60 0.03 0.00 0.71 0.00 0.00 54.79 56.22 2bux n ASP 487 Cb 0.25 -0.73 0.01 0.00 -0.02 0.00 0.00 41.12 40.62 2bux n ASP 487 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bux n SER 488 N -2.08 1.10 -4.67 -2.24 7.64 -0.84 -5.03 113.62 107.50 2bux n SER 488 Ca 0.04 -1.05 -0.43 0.00 1.01 0.00 0.00 58.87 58.44 2bux n SER 488 Cb 0.30 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 2bux n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bux h PRO 490 N 8.28 0.00 -0.17 0.00 0.11 -1.92 -0.26 132.00 138.03 2bux h PRO 490 Ca -0.30 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.70 2bux h PRO 490 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bux h PRO 490 CO 0.95 0.21 -0.32 0.82 -0.21 0.00 0.00 178.00 179.45 2bux h ILE 491 N 0.00 1.34 -0.17 4.15 2.04 -1.91 -2.76 117.51 120.21 2bux h ILE 491 Ca -0.00 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 2bux h ILE 491 Cb 0.46 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2bux h ILE 491 CO 0.03 0.47 -0.43 0.25 0.00 0.00 0.00 178.15 178.47 2bux h LEU 492 N 0.17 0.43 0.00 1.44 5.85 -1.88 -2.77 115.31 118.55 2bux h LEU 492 Ca 0.01 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2bux h LEU 492 Cb 0.91 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2bux h LEU 492 CO 0.07 0.81 0.00 0.29 -0.34 0.00 0.00 178.44 179.27 2bux n LYS 493 N -4.01 0.31 0.29 1.25 5.02 -0.13 -1.82 118.16 119.08 2bux n LYS 493 Ca -0.02 0.08 0.19 0.00 -2.02 0.00 0.00 58.31 56.55 2bux n LYS 493 Cb 0.51 -1.50 0.83 0.00 -0.02 0.00 0.00 35.03 34.85 2bux n LYS 493 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2bux h THR 494 N 0.00 0.01 -3.09 -0.18 1.35 -1.19 -3.41 112.91 106.40 2bux h THR 494 Ca 0.00 -0.38 -0.56 0.00 -0.55 0.00 0.00 66.41 64.92 2bux h THR 494 Cb 0.19 1.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 2bux h THR 494 CO 0.00 0.00 0.73 -0.63 -0.25 0.00 0.00 175.52 175.38 2bux s ILE 495 N -3.80 4.48 0.32 6.82 1.01 -0.75 -4.20 121.20 125.06 2bux s ILE 495 Ca -0.01 1.78 -0.01 0.00 0.00 0.00 0.00 60.65 62.42 2bux s ILE 495 Cb 0.10 -4.15 0.26 0.00 0.01 0.00 0.00 42.46 38.68 2bux s ILE 495 CO 0.51 -0.07 1.98 -0.65 0.00 0.00 0.00 174.94 176.71 2bux h PRO 496 N 7.53 0.99 -6.52 2.79 0.11 -1.80 -3.45 132.00 131.65 2bux h PRO 496 Ca -0.28 -0.07 -0.66 0.00 0.11 0.00 0.00 66.00 65.10 2bux h PRO 496 Cb 1.12 -0.22 -0.15 0.00 0.11 0.00 0.00 31.00 31.86 2bux h PRO 496 CO 0.91 0.67 -0.73 -1.54 -0.21 0.00 0.00 178.00 177.11 2bux s SER 497 N -6.37 4.51 0.29 -2.05 1.04 -1.26 -5.00 113.70 104.85 2bux s SER 497 Ca -0.11 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 2bux s SER 497 Cb 0.18 -0.90 0.41 0.00 0.10 0.00 0.00 66.02 65.81 2bux s SER 497 CO 0.78 0.18 1.92 -0.08 0.98 0.00 0.00 173.24 177.02 2bux h GLU 498 N 3.58 1.04 -0.36 4.02 4.57 -2.00 -1.27 114.58 124.16 2bux h GLU 498 Ca -0.49 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 57.51 2bux h GLU 498 Cb 1.17 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2bux h GLU 498 CO 0.53 0.75 -0.10 -0.56 -1.18 0.00 0.00 179.01 178.45 2bux h GLN 499 N 1.05 0.62 -0.10 1.92 3.07 -1.99 -1.71 115.11 117.97 2bux h GLN 499 Ca 0.27 -0.18 -0.19 0.00 0.09 0.00 0.00 58.65 58.64 2bux h GLN 499 Cb -0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.49 2bux h GLN 499 CO -0.05 0.71 -0.74 1.96 0.09 0.00 0.00 178.83 180.81 2bux h GLN 500 N 0.57 0.50 -0.89 0.06 1.08 -1.85 -2.66 115.11 111.91 2bux h GLN 500 Ca 0.10 -0.40 0.03 0.00 -1.45 0.00 0.00 58.65 56.93 2bux h GLN 500 Cb 0.51 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.97 2bux h GLN 500 CO 0.03 1.03 0.59 0.00 -0.95 0.00 0.00 178.83 179.53 2bux h ARG 501 N 0.34 1.09 0.00 1.46 3.08 -0.73 -1.92 114.38 117.70 2bux h ARG 501 Ca -0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2bux h ARG 501 Cb 1.32 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 2bux h ARG 501 CO 0.13 0.72 -0.13 0.00 -1.07 0.00 0.00 179.97 179.63 2bux h ARG 502 N 1.13 0.00 0.00 0.04 3.08 -1.15 -2.22 114.38 115.25 2bux h ARG 502 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2bux h ARG 502 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2bux h ARG 502 CO -0.10 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2bux n ALA 503 N -2.22 1.62 -0.43 0.04 0.00 -0.72 -1.96 120.51 116.84 2bux n ALA 503 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2bux n ALA 503 Cb 0.30 -1.21 0.27 0.00 0.00 0.00 0.00 19.45 18.80 2bux n ALA 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bux n LEU 504 N -1.48 3.83 -4.53 0.00 4.77 -0.83 -4.93 117.00 113.83 2bux n LEU 504 Ca 0.04 -2.21 -0.37 0.00 -0.03 0.00 0.00 56.01 53.43 2bux n LEU 504 Cb 0.15 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 2bux n LEU 504 CO 0.12 0.83 -0.22 -0.63 -1.33 0.00 0.00 177.39 176.16 2bux s ILE 505 N -1.38 4.89 0.16 -0.08 1.01 -0.83 -0.23 121.20 124.74 2bux s ILE 505 Ca 0.41 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 2bux s ILE 505 Cb 0.24 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 2bux s ILE 505 CO 0.23 0.30 0.95 0.00 0.00 0.00 0.00 174.94 176.42 2bux s ALA 506 N 1.64 3.28 -0.09 9.38 0.00 0.65 -4.86 121.76 131.76 2bux s ALA 506 Ca 0.07 0.59 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 2bux s ALA 506 Cb -0.15 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2bux s ALA 506 CO 0.07 0.07 0.22 -0.51 0.00 0.00 0.00 175.76 175.61 2bux s LEU 507 N -0.48 4.40 0.27 0.00 2.01 -0.40 -1.32 118.68 123.17 2bux s LEU 507 Ca 0.44 0.60 -0.31 0.00 0.01 0.00 0.00 54.13 54.87 2bux s LEU 507 Cb -0.24 -2.22 -0.12 0.00 0.01 0.00 0.00 46.19 43.62 2bux s LEU 507 CO 0.31 0.37 1.58 1.21 1.01 0.00 0.00 176.35 180.83 2bux n GLU 508 N 2.03 2.59 -3.65 1.70 2.13 -1.26 -0.16 120.64 124.02 2bux n GLU 508 Ca -0.18 0.92 -0.27 0.00 0.66 0.00 0.00 57.16 58.29 2bux n GLU 508 Cb 0.54 -2.69 -0.10 0.00 0.27 0.00 0.00 31.44 29.46 2bux n GLU 508 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2bux n ASP 509 N 2.39 3.14 -0.05 4.31 -0.08 -0.56 -4.80 116.55 120.91 2bux n ASP 509 Ca 0.10 -3.27 0.07 0.00 -1.51 0.00 0.00 54.79 50.18 2bux n ASP 509 Cb 0.35 -0.71 0.45 0.00 2.34 0.00 0.00 41.12 43.55 2bux n ASP 509 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2bux h LYS 510 N 4.81 0.50 0.00 -0.67 3.64 -1.91 -1.25 116.57 121.69 2bux h LYS 510 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2bux h LYS 510 Cb 0.72 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2bux h LYS 510 CO 0.75 0.33 0.00 0.77 -2.27 0.00 0.00 179.45 179.03 2bux h SER 511 N 0.52 0.00 -0.45 4.20 0.02 -1.96 -2.55 113.55 113.33 2bux h SER 511 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2bux h SER 511 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2bux h SER 511 CO -0.06 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.22 2bux n ASN 512 N -2.73 2.86 -4.75 3.07 3.02 -0.48 -4.93 115.26 111.32 2bux n ASN 512 Ca 0.02 -1.95 -0.35 0.00 -0.03 0.00 0.00 54.58 52.28 2bux n ASN 512 Cb 0.32 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.24 2bux n ASN 512 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2bux s PHE 513 N -1.41 2.39 -0.33 3.10 0.40 -0.96 -4.65 117.98 116.52 2bux s PHE 513 Ca 0.37 1.54 -0.08 0.00 -0.60 0.00 0.00 56.93 58.16 2bux s PHE 513 Cb 0.20 -3.40 0.02 0.00 0.51 0.00 0.00 43.02 40.35 2bux s PHE 513 CO 0.27 -2.13 0.12 0.42 0.70 0.00 0.00 175.22 174.61 2bux s ILE 514 N -1.83 4.09 0.23 0.64 1.01 -0.13 -5.00 121.20 120.22 2bux s ILE 514 Ca 0.74 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 2bux s ILE 514 Cb -0.28 -3.22 -0.15 0.00 0.01 0.00 0.00 42.46 38.83 2bux s ILE 514 CO 0.36 -0.08 1.04 -1.84 0.00 0.00 0.00 174.94 174.42 2bux n GLU 515 N 4.89 1.16 -2.02 2.79 0.00 -1.26 -1.30 120.64 124.90 2bux n GLU 515 Ca -0.13 0.41 -0.16 0.00 0.00 0.00 0.00 57.16 57.28 2bux n GLU 515 Cb 0.46 -1.81 -0.03 0.00 0.00 0.00 0.00 31.44 30.07 2bux n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bux n ALA 516 N 0.78 -0.51 -0.61 -1.84 0.00 -1.26 -4.71 120.51 112.36 2bux n ALA 516 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2bux n ALA 516 Cb 0.28 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2bux n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bux n ASP 517 N -1.43 0.00 -3.94 0.00 4.64 -0.42 -5.17 116.55 110.23 2bux n ASP 517 Ca -0.18 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.14 2bux n ASP 517 Cb 0.59 0.02 -0.10 0.00 -1.04 0.00 0.00 41.12 40.59 2bux n ASP 517 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2bux s SER 518 N -0.80 0.17 0.87 1.67 0.01 -0.61 -4.78 113.70 110.23 2bux s SER 518 Ca 0.00 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 2bux s SER 518 Cb 0.00 0.19 0.19 0.00 0.21 0.00 0.00 66.02 66.60 2bux s SER 518 CO 0.00 -0.42 1.19 -0.13 0.41 0.00 0.00 173.24 174.29 2bux s ARG 519 N -2.04 0.93 -0.09 12.44 0.52 -0.73 -0.95 118.95 129.03 2bux s ARG 519 Ca -0.10 -0.90 -0.10 0.00 -0.52 0.00 0.00 55.73 54.11 2bux s ARG 519 Cb -0.05 -2.08 0.03 0.00 0.52 0.00 0.00 34.95 33.37 2bux s ARG 519 CO -0.02 -2.09 0.27 0.00 0.02 0.00 0.00 175.30 173.48 2bux s TYR 521 N -0.03 1.87 -0.14 0.00 1.51 0.26 -1.49 117.35 119.34 2bux s TYR 521 Ca -0.02 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.63 2bux s TYR 521 Cb -0.02 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 2bux s TYR 521 CO 0.01 0.01 0.04 0.50 -1.11 0.00 0.00 175.55 174.99 2bux s ARG 522 N -0.71 3.54 -0.22 -0.62 6.06 0.78 -1.46 118.95 126.32 2bux s ARG 522 Ca 0.08 -0.36 -0.04 0.00 -2.50 0.00 0.00 55.73 52.91 2bux s ARG 522 Cb -0.08 -3.03 0.12 0.00 0.06 0.00 0.00 34.95 32.01 2bux s ARG 522 CO 0.00 0.47 0.38 0.12 -2.50 0.00 0.00 175.30 173.77 2bux s PHE 523 N -0.22 -0.79 0.15 5.12 5.36 0.25 -1.27 117.98 126.59 2bux s PHE 523 Ca 0.07 1.03 0.01 0.00 -0.96 0.00 0.00 56.93 57.08 2bux s PHE 523 Cb -0.12 0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 2bux s PHE 523 CO 0.02 -0.63 0.31 -0.51 -1.46 0.00 0.00 175.22 172.95 2bux s ASP 524 N 2.55 6.36 -0.01 6.13 -0.00 -1.26 -3.99 116.67 126.45 2bux s ASP 524 Ca 0.08 0.26 0.05 0.00 -0.00 0.00 0.00 52.55 52.94 2bux s ASP 524 Cb -0.14 -1.95 -0.01 0.00 -0.00 0.00 0.00 42.92 40.82 2bux s ASP 524 CO -0.14 0.04 -0.16 -0.63 -0.00 0.00 0.00 175.17 174.28 2bux s ILE 525 N -1.74 1.23 -0.12 0.77 1.01 -0.17 -4.95 121.20 117.22 2bux s ILE 525 Ca 0.36 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2bux s ILE 525 Cb -0.11 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2bux s ILE 525 CO 0.28 0.35 -0.22 -0.89 0.00 0.00 0.00 174.94 174.46 2bux s THR 526 N -0.36 2.11 0.35 2.92 2.01 -1.26 -1.44 115.64 119.98 2bux s THR 526 Ca 0.06 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.15 2bux s THR 526 Cb -0.06 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2bux s THR 526 CO -0.01 0.55 0.25 -0.76 -0.69 0.00 0.00 174.62 173.97 2bux s LEU 527 N 0.60 3.42 0.60 4.42 1.43 0.31 -4.91 118.68 124.55 2bux s LEU 527 Ca -0.12 -0.66 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 2bux s LEU 527 Cb -0.17 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2bux s LEU 527 CO 0.03 -0.39 1.29 -0.13 0.23 0.00 0.00 176.35 177.37 2bux s ARG 528 N -3.96 2.87 0.20 1.70 0.52 -1.26 -0.25 118.95 118.77 2bux s ARG 528 Ca 0.41 2.04 0.10 0.00 -0.52 0.00 0.00 55.73 57.76 2bux s ARG 528 Cb -0.04 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2bux s ARG 528 CO 0.25 -1.34 -0.11 0.20 0.02 0.00 0.00 175.30 174.32 2bux s GLY 529 N -1.31 1.73 0.21 -3.53 0.00 -1.26 -4.49 107.32 98.66 2bux s GLY 529 Ca 0.78 -1.56 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 2bux s GLY 529 CO 0.40 -1.59 0.61 0.50 0.00 0.00 0.00 173.10 173.02 2bux s ARG 530 N -3.01 3.99 0.13 2.90 0.52 -1.26 -1.08 118.95 121.14 2bux s ARG 530 Ca 0.26 0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 55.98 2bux s ARG 530 Cb -0.08 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 2bux s ARG 530 CO 0.15 0.37 0.33 1.03 0.02 0.00 0.00 175.30 177.21 2bux s ARG 531 N -2.33 3.55 0.27 3.54 0.52 -0.64 -4.90 118.95 118.96 2bux s ARG 531 Ca 0.44 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.29 2bux s ARG 531 Cb -0.14 -2.90 -0.08 0.00 0.52 0.00 0.00 34.95 32.36 2bux s ARG 531 CO 0.20 0.49 0.62 0.00 0.02 0.00 0.00 175.30 176.63 2bux s ALA 532 N -1.66 3.48 -0.13 2.13 0.00 -1.26 0.29 121.76 124.61 2bux s ALA 532 Ca 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 2bux s ALA 532 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 2bux s ALA 532 CO 0.26 0.41 -0.02 0.99 0.00 0.00 0.00 175.76 177.41 2bux s THR 533 N -1.92 4.13 0.00 0.00 2.01 0.73 -4.70 115.64 115.89 2bux s THR 533 Ca 0.49 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2bux s THR 533 Cb -0.11 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.62 2bux s THR 533 CO 0.21 0.54 0.06 -1.22 -0.69 0.00 0.00 174.62 173.52 2bux n TYR 534 N 2.94 0.00 0.00 4.92 4.02 -1.26 -4.41 117.16 123.37 2bux n TYR 534 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2bux n TYR 534 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2bux n TYR 534 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2bux n PHE 535 N -0.79 0.00 -1.90 -0.72 3.01 -1.26 -5.07 117.46 110.74 2bux n PHE 535 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2bux n PHE 535 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2bux n PHE 535 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2bux s GLU 536 N 4.07 4.20 -0.59 -1.08 8.01 -1.26 -4.97 118.70 127.07 2bux s GLU 536 Ca 0.00 2.43 -0.13 0.00 0.01 0.00 0.00 54.97 57.28 2bux s GLU 536 Cb 0.00 -3.08 0.15 0.00 -4.31 0.00 0.00 34.13 26.89 2bux s GLU 536 CO 0.00 -0.54 0.51 1.21 0.01 0.00 0.00 175.26 176.45 2bux s ASN 537 N 0.56 6.11 0.00 -0.19 2.47 -1.26 -4.91 114.94 117.72 2bux s ASN 537 Ca 0.63 -2.09 0.27 0.00 0.42 0.00 0.00 52.86 52.09 2bux s ASN 537 Cb -0.45 -2.13 0.94 0.00 -1.45 0.00 0.00 41.25 38.17 2bux s ASN 537 CO 0.43 -0.72 1.70 0.47 -3.72 0.00 0.00 177.10 175.26 2bux n ASP 538 N 4.76 0.37 -0.28 -4.21 8.00 -1.26 -4.32 116.55 119.60 2bux n ASP 538 Ca -0.05 -0.14 0.21 0.00 0.71 0.00 0.00 54.79 55.53 2bux n ASP 538 Cb 0.42 -0.08 0.52 0.00 -0.02 0.00 0.00 41.12 41.96 2bux n ASP 538 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2bux h LEU 539 N 0.22 0.41 -0.56 0.64 5.85 -1.91 -3.51 115.31 116.44 2bux h LEU 539 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2bux h LEU 539 Cb 0.46 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2bux h LEU 539 CO 0.00 0.12 0.00 0.41 -0.34 0.00 0.00 178.44 178.63