#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bum s ILE 304 N 0.00 5.19 0.13 1.39 1.01 -1.26 -5.03 121.20 122.63 2bum s ILE 304 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 2bum s ILE 304 Cb 0.00 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 2bum s ILE 304 CO 0.00 0.33 0.61 0.26 0.00 0.00 0.00 174.94 176.14 2bum s TRP 305 N 1.26 3.73 0.00 3.97 0.52 -1.26 -0.54 118.94 126.62 2bum s TRP 305 Ca 0.07 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.46 2bum s TRP 305 Cb -0.14 -2.51 0.00 0.00 -1.15 0.00 0.00 33.47 29.67 2bum s TRP 305 CO 0.06 0.49 0.00 0.41 0.02 0.00 0.00 176.95 177.93 2bum n GLY 306 N 1.26 2.67 3.94 0.98 0.00 0.74 -4.78 105.19 110.00 2bum n GLY 306 Ca -0.07 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 2bum n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bum s ALA 307 N -2.77 3.52 0.39 4.61 0.00 -1.26 -4.63 121.76 121.63 2bum s ALA 307 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 2bum s ALA 307 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.67 2bum s ALA 307 CO 0.00 -0.76 1.15 0.71 0.00 0.00 0.00 175.76 176.86 2bum s TYR 308 N -2.87 3.12 0.56 0.00 1.51 -1.26 -1.62 117.35 116.79 2bum s TYR 308 Ca 0.54 1.57 -0.21 0.00 -1.01 0.00 0.00 57.07 57.96 2bum s TYR 308 Cb -0.10 -3.35 -0.05 0.00 -0.11 0.00 0.00 41.96 38.35 2bum s TYR 308 CO 0.42 -1.18 1.30 0.00 -1.11 0.00 0.00 175.55 174.98 2bum n ALA 309 N 0.11 1.36 -1.69 3.71 0.00 -0.05 -4.89 120.51 119.05 2bum n ALA 309 Ca 0.04 0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 2bum n ALA 309 Cb 0.47 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 2bum n ALA 309 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2bum n GLN 310 N -1.09 2.09 -2.17 0.00 7.27 -1.26 -4.81 117.38 117.40 2bum n GLN 310 Ca 0.11 0.74 -0.41 0.00 0.07 0.00 0.00 57.00 57.51 2bum n GLN 310 Cb 0.45 -2.34 -0.03 0.00 2.41 0.00 0.00 30.24 30.73 2bum n GLN 310 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2bum s ARG 311 N -1.39 4.35 -0.65 3.69 3.52 -1.26 -4.94 118.95 122.27 2bum s ARG 311 Ca 0.59 2.10 -0.22 0.00 -0.13 0.00 0.00 55.73 58.08 2bum s ARG 311 Cb -0.59 -3.19 0.08 0.00 -1.56 0.00 0.00 34.95 29.68 2bum s ARG 311 CO 0.58 -0.32 0.92 1.21 -0.81 0.00 0.00 175.30 176.89 2bum s ASN 312 N 0.48 6.18 0.60 -2.12 3.04 -1.26 -4.91 114.94 116.94 2bum s ASN 312 Ca 0.59 -1.05 0.30 0.00 0.04 0.00 0.00 52.86 52.73 2bum s ASN 312 Cb -0.38 -2.40 1.72 0.00 -1.54 0.00 0.00 41.25 38.66 2bum s ASN 312 CO 0.38 -1.39 2.13 0.71 -3.04 0.00 0.00 177.10 175.89 2bum h THR 313 N 5.97 0.44 0.00 -5.21 1.35 -1.94 -0.67 112.91 112.84 2bum h THR 313 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2bum h THR 313 Cb 1.07 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2bum h THR 313 CO 1.17 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.82 2bum n GLU 314 N -3.73 0.06 -0.12 4.72 1.02 -1.26 -2.60 120.64 118.72 2bum n GLU 314 Ca 0.00 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 2bum n GLU 314 Cb 0.28 -1.58 0.29 0.00 -0.02 0.00 0.00 31.44 30.41 2bum n GLU 314 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2bum n ASP 315 N -1.69 2.48 -4.27 1.62 8.00 -0.26 -4.67 116.55 117.77 2bum n ASP 315 Ca 0.05 -1.84 -0.15 0.00 0.71 0.00 0.00 54.79 53.56 2bum n ASP 315 Cb 0.29 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 2bum n ASP 315 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2bum s HIS 316 N -1.70 1.32 0.74 1.24 3.76 -1.07 -4.94 115.29 114.64 2bum s HIS 316 Ca 0.35 -0.82 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 2bum s HIS 316 Cb 0.20 -0.70 0.04 0.00 1.11 0.00 0.00 32.58 33.23 2bum s HIS 316 CO 0.29 0.03 1.13 -1.25 -0.85 0.00 0.00 174.74 174.09 2bum s PRO 317 N -3.79 2.28 0.64 8.40 0.04 -1.26 -4.51 135.00 136.80 2bum s PRO 317 Ca 0.20 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.61 2bum s PRO 317 Cb 0.04 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2bum s PRO 317 CO 0.03 -1.66 0.97 -1.25 0.04 0.00 0.00 177.00 175.12 2bum s PRO 318 N -4.32 2.78 0.04 0.56 0.04 -1.26 -5.00 135.00 127.84 2bum s PRO 318 Ca 0.67 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.59 2bum s PRO 318 Cb -0.22 -2.19 -0.15 0.00 0.04 0.00 0.00 34.50 31.98 2bum s PRO 318 CO 0.48 -0.88 1.32 0.00 0.04 0.00 0.00 177.00 177.96 2bum h ALA 319 N -0.37 0.23 -2.39 8.56 0.00 -1.96 -3.41 119.26 119.92 2bum h ALA 319 Ca -0.45 -0.37 -0.62 0.00 0.00 0.00 0.00 54.91 53.47 2bum h ALA 319 Cb 1.27 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 2bum h ALA 319 CO 0.61 0.18 0.15 -0.47 0.00 0.00 0.00 179.25 179.72 2bum s TYR 320 N -4.14 3.20 -0.34 0.00 5.04 -1.26 -4.73 117.35 115.12 2bum s TYR 320 Ca -0.14 0.55 -0.01 0.00 -2.44 0.00 0.00 57.07 55.03 2bum s TYR 320 Cb 0.05 -3.01 0.13 0.00 0.35 0.00 0.00 41.96 39.48 2bum s TYR 320 CO 0.77 -0.50 0.21 0.00 -1.34 0.00 0.00 175.55 174.69 2bum s ALA 321 N 2.62 0.66 0.46 3.97 0.00 -1.26 -5.03 121.76 123.18 2bum s ALA 321 Ca 0.25 -1.52 0.29 0.00 0.00 0.00 0.00 51.96 50.98 2bum s ALA 321 Cb -0.15 -1.60 1.37 0.00 0.00 0.00 0.00 23.12 22.74 2bum s ALA 321 CO 0.12 -1.99 1.71 -1.35 0.00 0.00 0.00 175.76 174.26 2bum h PRO 322 N 7.41 0.16 0.00 0.00 0.11 -1.95 -0.25 132.00 137.47 2bum h PRO 322 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2bum h PRO 322 Cb 0.99 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2bum h PRO 322 CO 0.30 0.11 0.00 0.78 -0.21 0.00 0.00 178.00 178.98 2bum h GLY 323 N 0.16 0.00 -7.49 -0.55 0.00 -1.95 -3.29 103.07 89.95 2bum h GLY 323 Ca 0.70 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 47.32 2bum h GLY 323 CO -0.25 0.00 -0.41 -0.47 0.00 0.00 0.00 176.54 175.42 2bum s TYR 324 N -3.48 3.50 0.34 5.60 5.04 -0.11 -4.86 117.35 123.38 2bum s TYR 324 Ca 0.02 -2.39 0.06 0.00 -2.44 0.00 0.00 57.07 52.32 2bum s TYR 324 Cb 0.09 -3.31 0.72 0.00 0.35 0.00 0.00 41.96 39.81 2bum s TYR 324 CO 0.43 -0.93 1.91 0.87 -1.34 0.00 0.00 175.55 176.49 2bum h LYS 325 N 7.74 0.78 0.00 4.97 1.57 -1.77 -1.65 116.57 128.20 2bum h LYS 325 Ca -0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2bum h LYS 325 Cb 1.02 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2bum h LYS 325 CO 0.74 0.51 -0.01 1.15 -0.57 0.00 0.00 179.45 181.28 2bum h THR 326 N 0.80 0.06 0.00 -0.16 2.02 -1.91 -2.00 112.91 111.72 2bum h THR 326 Ca 0.39 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 2bum h THR 326 Cb 0.45 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2bum h THR 326 CO -0.16 0.01 -0.04 0.77 0.37 0.00 0.00 175.52 176.46 2bum h SER 327 N 0.00 0.00 -0.87 4.18 4.64 -1.57 -3.28 113.55 116.65 2bum h SER 327 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2bum h SER 327 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.14 2bum h SER 327 CO 0.00 0.04 0.57 0.58 -0.87 0.00 0.00 176.83 177.15 2bum h VAL 328 N 0.00 1.15 -0.02 0.95 2.07 -1.52 -2.49 116.25 116.38 2bum h VAL 328 Ca -0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2bum h VAL 328 Cb 0.68 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2bum h VAL 328 CO 0.01 0.20 -0.10 0.18 0.02 0.00 0.00 177.57 177.87 2bum n LEU 329 N -4.44 2.50 -0.47 2.57 4.77 -1.24 -4.42 117.00 116.26 2bum n LEU 329 Ca 0.11 -0.94 0.07 0.00 -0.03 0.00 0.00 56.01 55.22 2bum n LEU 329 Cb 0.10 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.39 2bum n LEU 329 CO 0.35 0.44 0.43 0.54 -1.33 0.00 0.00 177.39 177.81 2bum n ARG 330 N 0.86 1.52 -4.99 3.23 1.74 -0.97 -4.99 116.66 113.06 2bum n ARG 330 Ca 0.11 -3.11 -0.28 0.00 -0.77 0.00 0.00 57.85 53.80 2bum n ARG 330 Cb 0.49 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.17 2bum n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bum s SER 331 N -3.12 2.52 0.51 0.55 1.04 -1.02 -4.98 113.70 109.21 2bum s SER 331 Ca 0.37 -0.42 -0.22 0.00 0.48 0.00 0.00 55.95 56.15 2bum s SER 331 Cb 0.35 -0.79 -0.06 0.00 0.10 0.00 0.00 66.02 65.62 2bum s SER 331 CO -0.04 0.17 1.32 -2.16 0.98 0.00 0.00 173.24 173.51 2bum s PRO 332 N 0.06 3.37 0.17 4.02 0.04 -1.26 -4.92 135.00 136.47 2bum s PRO 332 Ca -0.07 2.14 0.19 0.00 0.04 0.00 0.00 61.00 63.31 2bum s PRO 332 Cb -0.13 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2bum s PRO 332 CO 0.04 -0.98 1.03 1.57 0.04 0.00 0.00 177.00 178.70 2bum h LYS 333 N 1.72 0.00 -7.02 4.56 2.10 -2.00 -3.46 116.57 112.47 2bum h LYS 333 Ca -0.50 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 57.67 2bum h LYS 333 Cb 1.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2bum h LYS 333 CO 0.58 0.17 0.28 -0.80 -2.00 0.00 0.00 179.45 177.68 2bum s ASN 334 N -5.70 6.71 0.56 7.07 0.01 -1.26 -5.03 114.94 117.29 2bum s ASN 334 Ca -0.01 1.47 -0.19 0.00 -0.71 0.00 0.00 52.86 53.42 2bum s ASN 334 Cb 0.09 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 2bum s ASN 334 CO 0.79 -0.44 1.17 0.00 -1.51 0.00 0.00 177.10 177.11 2bum s ALA 335 N -2.37 2.65 0.43 0.60 0.00 -1.26 -4.97 121.76 116.84 2bum s ALA 335 Ca 0.58 0.93 -0.24 0.00 0.00 0.00 0.00 51.96 53.22 2bum s ALA 335 Cb -0.10 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 2bum s ALA 335 CO 0.25 -0.95 1.22 -0.51 0.00 0.00 0.00 175.76 175.76 2bum s LEU 336 N -3.85 4.12 -0.29 0.00 1.43 -1.26 -4.99 118.68 113.84 2bum s LEU 336 Ca 0.74 2.44 -0.18 0.00 -1.03 0.00 0.00 54.13 56.10 2bum s LEU 336 Cb -0.28 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2bum s LEU 336 CO 0.31 -0.86 0.53 -0.63 0.23 0.00 0.00 176.35 175.92 2bum s ILE 337 N -1.41 5.04 0.15 -0.59 1.01 -1.26 -5.06 121.20 119.08 2bum s ILE 337 Ca 0.60 0.72 -0.28 0.00 0.00 0.00 0.00 60.65 61.68 2bum s ILE 337 Cb -0.33 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 2bum s ILE 337 CO 0.41 -0.03 0.88 -0.44 0.00 0.00 0.00 174.94 175.76 2bum s SER 338 N 1.63 7.48 0.23 3.58 0.01 -1.26 -5.07 113.70 120.30 2bum s SER 338 Ca 0.21 1.75 0.09 0.00 1.31 0.00 0.00 55.95 59.32 2bum s SER 338 Cb -0.15 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2bum s SER 338 CO 0.11 0.07 -0.17 0.27 0.41 0.00 0.00 173.24 173.94 2bum s ILE 339 N -0.61 2.03 0.20 1.44 -4.36 -1.26 -5.12 121.20 113.51 2bum s ILE 339 Ca 0.41 -2.29 -0.28 0.00 -0.26 0.00 0.00 60.65 58.24 2bum s ILE 339 Cb -0.24 -2.14 -0.08 0.00 1.25 0.00 0.00 42.46 41.25 2bum s ILE 339 CO 0.29 -0.52 0.87 0.00 0.24 0.00 0.00 174.94 175.81 2bum s ALA 340 N -2.79 3.39 0.44 2.27 0.00 -1.26 -5.01 121.76 118.80 2bum s ALA 340 Ca 0.25 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 2bum s ALA 340 Cb -0.02 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 2bum s ALA 340 CO 0.10 0.24 1.08 -1.21 0.00 0.00 0.00 175.76 175.97 2bum s GLU 341 N -1.11 3.92 0.39 0.00 2.02 -1.26 -5.06 118.70 117.61 2bum s GLU 341 Ca 0.39 1.55 0.01 0.00 0.02 0.00 0.00 54.97 56.94 2bum s GLU 341 Cb -0.25 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 2bum s GLU 341 CO 0.29 -0.36 0.05 0.25 0.02 0.00 0.00 175.26 175.52 2bum n THR 342 N -0.46 0.00 -0.11 3.63 -2.24 -1.26 -4.86 114.28 108.98 2bum n THR 342 Ca 0.07 -2.00 0.22 0.00 -2.27 0.00 0.00 64.05 60.07 2bum n THR 342 Cb 0.50 0.53 0.66 0.00 -2.10 0.00 0.00 70.33 69.92 2bum n THR 342 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2bum h LEU 343 N 0.00 0.09 -0.92 3.22 3.38 -1.98 -1.83 115.31 117.27 2bum h LEU 343 Ca -0.32 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2bum h LEU 343 Cb 1.05 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2bum h LEU 343 CO 0.52 0.04 0.60 0.28 0.09 0.00 0.00 178.44 179.97 2bum h SER 344 N 0.10 1.01 1.34 -0.43 0.02 -1.95 -2.98 113.55 110.66 2bum h SER 344 Ca 0.35 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2bum h SER 344 Cb 1.25 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 2bum h SER 344 CO -0.04 0.70 -0.67 -0.33 -1.14 0.00 0.00 176.83 175.36 2bum h GLU 345 N 1.18 0.00 -0.47 3.45 3.07 -1.73 -3.35 114.58 116.74 2bum h GLU 345 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2bum h GLU 345 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2bum h GLU 345 CO -0.11 0.01 0.00 1.33 -1.40 0.00 0.00 179.01 178.84 2bum n VAL 346 N -2.83 0.61 -4.21 3.13 0.24 -1.06 -1.86 118.33 112.35 2bum n VAL 346 Ca 0.01 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.29 2bum n VAL 346 Cb 0.55 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 2bum n VAL 346 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2bum s THR 347 N -1.39 2.92 0.10 3.34 -4.23 -1.14 -4.30 115.64 110.94 2bum s THR 347 Ca 0.41 -1.82 -0.26 0.00 -1.18 0.00 0.00 61.69 58.84 2bum s THR 347 Cb 0.23 -2.90 0.08 0.00 1.34 0.00 0.00 72.50 71.25 2bum s THR 347 CO 0.32 -0.21 0.84 0.00 -0.54 0.00 0.00 174.62 175.03 2bum s ALA 348 N -2.45 -1.67 0.79 3.99 0.00 -1.16 -0.60 121.76 120.66 2bum s ALA 348 Ca 0.36 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 2bum s ALA 348 Cb -0.02 0.61 0.07 0.00 0.00 0.00 0.00 23.12 23.78 2bum s ALA 348 CO 0.21 -0.84 1.10 -1.25 0.00 0.00 0.00 175.76 174.98 2bum s PRO 349 N -3.37 2.12 -0.07 0.00 0.04 -1.26 -4.96 135.00 127.51 2bum s PRO 349 Ca 0.07 0.56 0.04 0.00 0.04 0.00 0.00 61.00 61.70 2bum s PRO 349 Cb -0.02 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2bum s PRO 349 CO -0.05 -1.58 -0.19 -1.01 0.04 0.00 0.00 177.00 174.22 2bum s HIS 350 N -3.22 2.61 -0.15 0.56 3.76 -1.26 -4.90 115.29 112.70 2bum s HIS 350 Ca 0.61 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2bum s HIS 350 Cb -0.14 -1.67 -0.00 0.00 1.11 0.00 0.00 32.58 31.88 2bum s HIS 350 CO 0.53 -0.08 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.14 2bum s PHE 351 N -0.24 2.78 0.08 1.40 0.08 -1.26 -5.10 117.98 115.72 2bum s PHE 351 Ca 0.00 -0.94 -0.21 0.00 0.12 0.00 0.00 56.93 55.89 2bum s PHE 351 Cb -0.13 -1.88 -0.07 0.00 -0.57 0.00 0.00 43.02 40.38 2bum s PHE 351 CO 0.03 -0.41 0.64 -1.54 -0.10 0.00 0.00 175.22 173.84 2bum s SER 352 N 0.70 7.14 0.39 1.36 1.04 -1.26 -4.95 113.70 118.13 2bum s SER 352 Ca -0.07 1.36 0.14 0.00 0.48 0.00 0.00 55.95 57.86 2bum s SER 352 Cb -0.16 -2.40 0.98 0.00 0.10 0.00 0.00 66.02 64.55 2bum s SER 352 CO 0.02 0.22 1.86 0.00 0.98 0.00 0.00 173.24 176.31 2bum h ALA 353 N 4.71 2.06 -1.11 5.32 0.00 -1.99 -2.02 119.26 126.23 2bum h ALA 353 Ca -0.48 0.02 0.31 0.00 0.00 0.00 0.00 54.91 54.76 2bum h ALA 353 Cb 1.21 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2bum h ALA 353 CO 0.65 -0.33 0.78 -0.44 0.00 0.00 0.00 179.25 179.91 2bum h ASP 354 N 0.51 0.13 1.49 0.00 3.32 -2.03 -1.40 116.42 118.43 2bum h ASP 354 Ca 0.46 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 2bum h ASP 354 Cb 1.00 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 2bum h ASP 354 CO -0.20 0.02 -0.03 0.11 -1.72 0.00 0.00 179.24 177.42 2bum h LYS 355 N 0.11 0.00 -6.55 3.56 1.57 -1.77 -3.46 116.57 110.04 2bum h LYS 355 Ca 0.56 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.82 2bum h LYS 355 Cb 1.99 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 2bum h LYS 355 CO -0.09 0.03 0.23 -0.06 -0.57 0.00 0.00 179.45 178.99 2bum s PHE 356 N -3.43 3.90 0.72 -1.35 0.40 -0.53 -5.07 117.98 112.62 2bum s PHE 356 Ca 0.04 1.69 -0.10 0.00 -0.60 0.00 0.00 56.93 57.97 2bum s PHE 356 Cb 0.07 -2.85 0.05 0.00 0.51 0.00 0.00 43.02 40.80 2bum s PHE 356 CO 0.62 0.45 1.07 0.20 0.70 0.00 0.00 175.22 178.26 2bum s GLY 357 N -0.91 1.63 0.47 4.36 0.00 -1.26 -4.98 107.32 106.61 2bum s GLY 357 Ca 0.38 -0.64 0.21 0.00 0.00 0.00 0.00 44.72 44.67 2bum s GLY 357 CO 0.27 -0.24 1.98 -0.56 0.00 0.00 0.00 173.10 174.56 2bum h PRO 358 N -0.70 0.00 -0.60 2.90 0.13 -1.99 -2.95 132.00 128.79 2bum h PRO 358 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2bum h PRO 358 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bum h PRO 358 CO 0.63 0.20 0.00 1.63 -0.23 0.00 0.00 178.00 180.23 2bum n LYS 359 N -3.86 3.40 0.27 0.86 5.02 -1.26 -4.61 118.16 117.98 2bum n LYS 359 Ca -0.02 -2.75 0.10 0.00 -2.02 0.00 0.00 58.31 53.62 2bum n LYS 359 Cb 0.29 -1.75 0.71 0.00 -0.02 0.00 0.00 35.03 34.26 2bum n LYS 359 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bum h ASP 360 N 3.70 0.00 -0.53 4.39 5.19 -1.80 -1.44 116.42 125.93 2bum h ASP 360 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 2bum h ASP 360 Cb 1.28 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.72 2bum h ASP 360 CO 0.16 0.00 0.11 -0.46 -3.12 0.00 0.00 179.24 175.93 2bum n ASN 361 N -4.37 4.40 -3.73 6.45 6.94 -1.20 -1.72 115.26 122.02 2bum n ASN 361 Ca -0.03 -3.20 -0.29 0.00 -0.02 0.00 0.00 54.58 51.05 2bum n ASN 361 Cb 0.09 -0.67 -0.12 0.00 -2.36 0.00 0.00 39.78 36.72 2bum n ASN 361 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2bum s ASP 362 N -1.46 3.65 0.12 0.53 -1.08 -0.54 -1.51 116.67 116.38 2bum s ASP 362 Ca 0.50 -2.99 0.17 0.00 -0.52 0.00 0.00 52.55 49.71 2bum s ASP 362 Cb 0.40 -1.14 0.75 0.00 -1.46 0.00 0.00 42.92 41.47 2bum s ASP 362 CO 0.11 -0.21 1.54 0.18 0.52 0.00 0.00 175.17 177.31 2bum n LEU 363 N 3.06 0.29 0.02 -1.34 4.32 -0.01 -0.69 117.00 122.66 2bum n LEU 363 Ca 0.14 0.58 -0.19 0.00 -0.02 0.00 0.00 56.01 56.51 2bum n LEU 363 Cb 0.36 -0.55 -0.10 0.00 -1.62 0.00 0.00 43.42 41.51 2bum n LEU 363 CO 0.24 -0.43 0.15 0.40 -1.22 0.00 0.00 177.39 176.53 2bum h ILE 364 N 0.00 1.33 0.00 -0.08 2.04 -1.88 -3.38 117.51 115.54 2bum h ILE 364 Ca 0.00 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.69 2bum h ILE 364 Cb 0.26 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2bum h ILE 364 CO 0.00 0.66 -1.13 0.18 0.00 0.00 0.00 178.15 177.86 2bum n LEU 365 N -3.99 0.48 0.00 1.44 4.77 -1.04 -4.37 117.00 114.29 2bum n LEU 365 Ca -0.11 -0.32 0.08 0.00 -0.03 0.00 0.00 56.01 55.64 2bum n LEU 365 Cb 0.80 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.37 2bum n LEU 365 CO 0.53 0.12 0.72 -0.46 -1.33 0.00 0.00 177.39 176.97 2bum n ASN 366 N -1.64 0.00 -0.28 -1.43 0.23 0.13 -2.41 115.26 109.86 2bum n ASN 366 Ca 0.01 -0.31 0.00 0.00 -0.53 0.00 0.00 54.58 53.75 2bum n ASN 366 Cb 0.32 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 2bum n ASN 366 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bum n TYR 367 N -1.11 0.00 -2.48 -2.53 9.36 -1.26 -5.00 117.16 114.14 2bum n TYR 367 Ca 0.11 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.91 2bum n TYR 367 Cb 0.09 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.75 2bum n TYR 367 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2bum s ALA 368 N 0.00 3.50 -0.11 2.98 0.00 -1.01 -4.29 121.76 122.83 2bum s ALA 368 Ca 0.00 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 2bum s ALA 368 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2bum s ALA 368 CO 0.00 -0.78 -0.23 1.63 0.00 0.00 0.00 175.76 176.38 2bum n LYS 369 N 5.29 0.35 -0.01 0.00 4.76 -1.26 -4.87 118.16 122.43 2bum n LYS 369 Ca 0.11 0.14 0.07 0.00 -2.87 0.00 0.00 58.31 55.76 2bum n LYS 369 Cb 0.46 -1.10 -0.11 0.00 -1.84 0.00 0.00 35.03 32.45 2bum n LYS 369 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2bum n ASP 370 N -3.93 1.71 -0.88 4.39 8.00 -1.26 -5.06 116.55 119.51 2bum n ASP 370 Ca -0.09 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2bum n ASP 370 Cb 0.34 1.60 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 2bum n ASP 370 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bum n GLY 371 N 1.68 2.69 3.89 0.44 0.00 -1.26 -5.16 105.19 107.46 2bum n GLY 371 Ca -0.02 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 2bum n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bum s LEU 372 N 0.00 3.98 0.70 0.99 1.43 -1.26 -4.72 118.68 119.80 2bum s LEU 372 Ca 0.00 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.90 2bum s LEU 372 Cb 0.00 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.47 2bum s LEU 372 CO 0.00 -0.26 1.13 -2.16 0.23 0.00 0.00 176.35 175.29 2bum s PRO 373 N -3.55 2.50 0.12 1.29 0.04 -1.26 -4.85 135.00 129.29 2bum s PRO 373 Ca 0.48 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 2bum s PRO 373 Cb -0.11 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2bum s PRO 373 CO 0.29 -1.49 0.68 0.42 0.04 0.00 0.00 177.00 176.93 2bum s ILE 374 N -2.35 4.55 -3.95 0.56 -1.09 -1.26 -4.99 121.20 112.66 2bum s ILE 374 Ca 0.68 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2bum s ILE 374 Cb -0.22 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2bum s ILE 374 CO 0.45 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.31 2bum n GLY 375 N 1.66 0.99 3.66 6.18 0.00 -1.26 -4.47 105.19 111.95 2bum n GLY 375 Ca -0.08 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2bum n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bum s GLU 376 N -1.03 4.27 -0.13 1.61 2.02 -1.26 -4.90 118.70 119.28 2bum s GLU 376 Ca 0.00 1.37 -0.29 0.00 0.02 0.00 0.00 54.97 56.07 2bum s GLU 376 Cb 0.00 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 2bum s GLU 376 CO 0.00 -0.61 1.34 1.03 0.02 0.00 0.00 175.26 177.04 2bum s ARG 377 N 3.12 4.23 0.01 1.61 0.52 -1.26 -0.68 118.95 126.50 2bum s ARG 377 Ca 0.45 1.78 0.01 0.00 -0.52 0.00 0.00 55.73 57.44 2bum s ARG 377 Cb -0.15 -3.79 -0.01 0.00 0.52 0.00 0.00 34.95 31.52 2bum s ARG 377 CO 0.07 -0.71 -0.03 0.14 0.02 0.00 0.00 175.30 174.78 2bum s VAL 378 N 3.48 0.22 -0.11 3.52 -7.23 -0.49 -1.91 120.40 117.87 2bum s VAL 378 Ca 0.59 -0.53 -0.04 0.00 -1.81 0.00 0.00 61.98 60.19 2bum s VAL 378 Cb -0.25 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 2bum s VAL 378 CO 0.18 -0.20 0.04 -0.63 -0.31 0.00 0.00 175.10 174.19 2bum s ILE 379 N -0.73 4.67 -0.08 -0.62 1.01 0.18 -0.77 121.20 124.87 2bum s ILE 379 Ca -0.06 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2bum s ILE 379 Cb -0.05 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.41 2bum s ILE 379 CO -0.00 0.58 -0.17 -0.69 0.00 0.00 0.00 174.94 174.66 2bum s VAL 380 N -0.65 1.50 0.15 2.92 1.01 -0.46 0.02 120.40 124.89 2bum s VAL 380 Ca 0.11 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2bum s VAL 380 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2bum s VAL 380 CO 0.02 0.44 0.27 -1.38 0.00 0.00 0.00 175.10 174.45 2bum s HIS 381 N 0.54 0.32 -2.12 5.22 -3.43 -0.53 -1.14 115.29 114.16 2bum s HIS 381 Ca -0.16 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.40 2bum s HIS 381 Cb -0.17 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2bum s HIS 381 CO 0.06 -0.68 0.00 0.41 -2.00 0.00 0.00 174.74 172.52 2bum n GLY 382 N -0.18 -1.11 3.21 -1.38 0.00 -0.75 -1.14 105.19 103.83 2bum n GLY 382 Ca -0.09 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 2bum n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bum s TYR 383 N -3.00 1.73 -0.19 1.61 1.51 -1.25 -1.36 117.35 116.39 2bum s TYR 383 Ca 0.00 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 2bum s TYR 383 Cb 0.00 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 2bum s TYR 383 CO 0.00 0.01 0.03 0.08 -1.11 0.00 0.00 175.55 174.57 2bum s VAL 384 N -0.59 4.34 0.17 0.71 1.01 0.70 -1.06 120.40 125.68 2bum s VAL 384 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2bum s VAL 384 Cb -0.08 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2bum s VAL 384 CO 0.00 0.44 -0.00 -0.13 0.00 0.00 0.00 175.10 175.41 2bum s ARG 385 N 0.74 1.09 0.63 2.72 0.52 -0.66 -1.36 118.95 122.61 2bum s ARG 385 Ca 0.02 -1.52 0.03 0.00 -0.52 0.00 0.00 55.73 53.74 2bum s ARG 385 Cb -0.14 -0.24 0.09 0.00 0.52 0.00 0.00 34.95 35.18 2bum s ARG 385 CO 0.02 -0.13 0.87 0.16 0.02 0.00 0.00 175.30 176.24 2bum s ASP 386 N -3.16 4.81 0.65 0.23 1.47 0.78 -0.87 116.67 120.58 2bum s ASP 386 Ca 0.23 -0.43 0.43 0.00 1.18 0.00 0.00 52.55 53.96 2bum s ASP 386 Cb 0.06 -0.14 2.29 0.00 -0.34 0.00 0.00 42.92 44.79 2bum s ASP 386 CO 0.03 -1.51 2.32 0.06 0.68 0.00 0.00 175.17 176.75 2bum h GLN 387 N -0.15 0.00 -0.58 2.11 3.07 -0.87 0.80 115.11 119.48 2bum h GLN 387 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 2bum h GLN 387 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2bum h GLN 387 CO 0.43 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.54 2bum n PHE 388 N -3.09 0.95 -0.87 0.06 3.72 -1.26 -4.94 117.46 112.04 2bum n PHE 388 Ca -0.02 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 2bum n PHE 388 Cb 0.10 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 2bum n PHE 388 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bum n GLY 389 N 1.05 0.87 3.75 1.37 0.00 0.27 -5.03 105.19 107.48 2bum n GLY 389 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2bum n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bum s ARG 390 N -0.13 4.77 0.57 1.61 0.52 -1.26 -4.70 118.95 120.32 2bum s ARG 390 Ca 0.00 1.60 -0.20 0.00 -0.52 0.00 0.00 55.73 56.61 2bum s ARG 390 Cb 0.00 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2bum s ARG 390 CO 0.00 0.38 1.26 -1.25 0.02 0.00 0.00 175.30 175.71 2bum s PRO 391 N -1.17 3.08 -0.37 3.54 0.04 -1.26 -0.16 135.00 138.71 2bum s PRO 391 Ca 0.43 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 63.35 2bum s PRO 391 Cb -0.28 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.21 2bum s PRO 391 CO 0.35 -1.16 0.18 0.08 0.04 0.00 0.00 177.00 176.49 2bum s VAL 392 N -1.47 4.22 -0.03 -0.36 1.01 -0.47 -4.77 120.40 118.53 2bum s VAL 392 Ca 0.74 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 2bum s VAL 392 Cb -0.34 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2bum s VAL 392 CO 0.38 -0.26 0.46 -0.54 0.00 0.00 0.00 175.10 175.15 2bum s LYS 393 N 1.47 4.13 -1.41 2.72 1.02 -1.26 -3.99 119.74 122.42 2bum s LYS 393 Ca 0.01 0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.38 2bum s LYS 393 Cb -0.20 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2bum s LYS 393 CO 0.05 0.48 1.09 0.09 -0.92 0.00 0.00 175.35 176.14 2bum n ASN 394 N 2.50 -5.46 -4.83 2.83 3.02 -0.79 -4.92 115.26 107.60 2bum n ASN 394 Ca -0.11 -0.64 -0.36 0.00 -0.03 0.00 0.00 54.58 53.44 2bum n ASN 394 Cb 0.52 -4.59 -0.06 0.00 -0.61 0.00 0.00 39.78 35.04 2bum n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bum s ALA 395 N -3.33 3.55 -0.30 5.41 0.00 -1.26 -4.77 121.76 121.06 2bum s ALA 395 Ca 0.57 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 2bum s ALA 395 Cb -0.27 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2bum s ALA 395 CO 0.77 0.42 0.68 -1.17 0.00 0.00 0.00 175.76 176.46 2bum s LEU 396 N -1.81 4.12 -0.24 0.00 2.96 0.08 -1.31 118.68 122.48 2bum s LEU 396 Ca 0.37 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.79 2bum s LEU 396 Cb -0.16 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2bum s LEU 396 CO 0.19 -0.51 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.98 2bum s VAL 397 N 2.71 3.24 0.01 1.68 1.01 -0.02 -1.22 120.40 127.80 2bum s VAL 397 Ca 0.28 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2bum s VAL 397 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2bum s VAL 397 CO 0.12 0.32 -0.22 -1.61 0.00 0.00 0.00 175.10 173.71 2bum s GLU 398 N 1.43 2.09 0.10 2.72 2.02 -0.41 -1.32 118.70 125.34 2bum s GLU 398 Ca 0.04 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.13 2bum s GLU 398 Cb -0.15 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 2bum s GLU 398 CO -0.03 0.55 -0.12 0.14 0.02 0.00 0.00 175.26 175.82 2bum s VAL 399 N -0.77 1.07 0.02 2.63 -7.23 -0.26 -1.14 120.40 114.72 2bum s VAL 399 Ca 0.12 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 2bum s VAL 399 Cb -0.10 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.47 2bum s VAL 399 CO 0.02 -0.49 0.34 -1.66 -0.31 0.00 0.00 175.10 172.99 2bum s TRP 400 N -2.26 -0.18 0.18 2.82 -2.14 -0.75 -1.92 118.94 114.68 2bum s TRP 400 Ca 0.06 0.16 -0.24 0.00 2.66 0.00 0.00 56.10 58.75 2bum s TRP 400 Cb -0.04 0.12 0.06 0.00 -3.10 0.00 0.00 33.47 30.52 2bum s TRP 400 CO 0.01 -0.47 0.96 1.14 -2.66 0.00 0.00 176.95 175.93 2bum s GLN 401 N -2.01 1.29 0.72 3.25 -2.07 0.15 -1.39 119.66 119.60 2bum s GLN 401 Ca -0.09 -0.75 -0.06 0.00 -1.82 0.00 0.00 55.36 52.64 2bum s GLN 401 Cb -0.03 0.42 0.08 0.00 -1.09 0.00 0.00 33.01 32.39 2bum s GLN 401 CO 0.00 -0.60 1.02 0.00 -1.32 0.00 0.00 175.29 174.40 2bum s ALA 402 N -3.01 3.20 0.60 2.60 0.00 -1.26 -4.64 121.76 119.25 2bum s ALA 402 Ca 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2bum s ALA 402 Cb -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2bum s ALA 402 CO 0.04 -1.38 0.00 0.27 0.00 0.00 0.00 175.76 174.69 2bum n ASN 403 N -2.94 0.00 0.30 0.00 2.04 -0.24 -4.49 115.26 109.92 2bum n ASN 403 Ca 0.09 -0.68 0.16 0.00 -0.44 0.00 0.00 54.58 53.72 2bum n ASN 403 Cb 0.60 0.00 0.92 0.00 -2.53 0.00 0.00 39.78 38.77 2bum n ASN 403 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2bum h ALA 404 N -1.20 1.32 -0.00 -2.53 0.00 -1.78 -1.09 119.26 113.97 2bum h ALA 404 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bum h ALA 404 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bum h ALA 404 CO 0.00 0.04 -0.27 0.43 0.00 0.00 0.00 179.25 179.45 2bum n SER 405 N -3.59 0.66 0.00 0.00 7.64 -1.26 -3.43 113.62 113.64 2bum n SER 405 Ca -0.02 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2bum n SER 405 Cb 0.13 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2bum n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bum n GLY 406 N 1.38 0.62 3.63 0.23 0.00 -0.52 -4.68 105.19 105.85 2bum n GLY 406 Ca 0.10 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2bum n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bum s ARG 407 N -1.08 3.96 0.35 1.61 6.06 -1.26 -4.75 118.95 123.84 2bum s ARG 407 Ca 0.00 -0.35 -0.11 0.00 -2.50 0.00 0.00 55.73 52.77 2bum s ARG 407 Cb 0.00 -3.21 -0.07 0.00 0.06 0.00 0.00 34.95 31.73 2bum s ARG 407 CO 0.00 0.27 0.71 0.71 -2.50 0.00 0.00 175.30 174.49 2bum s TYR 408 N 0.39 3.43 -1.24 5.12 2.02 -1.26 -1.08 117.35 124.73 2bum s TYR 408 Ca 0.03 1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 57.65 2bum s TYR 408 Cb -0.12 -2.42 0.18 0.00 -0.40 0.00 0.00 41.96 39.19 2bum s TYR 408 CO 0.00 0.02 1.63 -2.13 -1.57 0.00 0.00 175.55 173.51 2bum n ARG 409 N -0.85 3.52 -3.63 -0.62 0.63 -1.26 -4.75 116.66 109.69 2bum n ARG 409 Ca 0.02 -3.74 -0.14 0.00 -0.92 0.00 0.00 57.85 53.07 2bum n ARG 409 Cb 0.54 -2.96 -0.07 0.00 0.45 0.00 0.00 32.46 30.41 2bum n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2bum s HIS 410 N 0.85 -0.78 0.54 -0.14 2.46 -1.26 -5.04 115.29 111.92 2bum s HIS 410 Ca 0.41 1.90 0.31 0.00 0.47 0.00 0.00 55.06 58.16 2bum s HIS 410 Cb 0.03 0.27 1.48 0.00 -0.13 0.00 0.00 32.58 34.23 2bum s HIS 410 CO 0.00 -0.38 1.89 -1.35 -2.47 0.00 0.00 174.74 172.44 2bum h PRO 411 N 5.02 0.00 -0.07 2.88 0.11 -2.06 -0.72 132.00 137.16 2bum h PRO 411 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2bum h PRO 411 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2bum h PRO 411 CO 0.06 0.00 -0.08 -0.91 -0.21 0.00 0.00 178.00 176.86 2bum h ASN 412 N 0.00 0.09 -3.59 -2.05 -0.26 -1.96 -3.39 115.58 104.42 2bum h ASN 412 Ca 0.42 -0.01 -0.59 0.00 -0.56 0.00 0.00 56.30 55.56 2bum h ASN 412 Cb 1.68 -0.02 -0.09 0.00 -1.06 0.00 0.00 38.32 38.83 2bum h ASN 412 CO -0.00 0.18 0.68 -0.62 -1.06 0.00 0.00 177.43 176.61 2bum s ASP 413 N -6.97 6.62 -0.05 5.81 -1.08 -0.28 -4.88 116.67 115.84 2bum s ASP 413 Ca -0.05 0.42 0.15 0.00 -0.52 0.00 0.00 52.55 52.55 2bum s ASP 413 Cb 0.16 -2.48 0.46 0.00 -1.46 0.00 0.00 42.92 39.60 2bum s ASP 413 CO 0.70 -1.01 1.39 0.00 0.52 0.00 0.00 175.17 176.77 2bum n GLN 414 N 7.15 3.01 -1.80 4.34 1.13 -1.26 -4.86 117.38 125.08 2bum n GLN 414 Ca 0.08 -2.42 -0.41 0.00 -1.94 0.00 0.00 57.00 52.32 2bum n GLN 414 Cb 0.48 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2bum n GLN 414 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2bum s TYR 415 N -1.46 2.54 -0.56 1.08 5.04 -1.26 -4.87 117.35 117.87 2bum s TYR 415 Ca 0.35 1.20 0.18 0.00 -2.44 0.00 0.00 57.07 56.36 2bum s TYR 415 Cb 0.21 -3.98 0.83 0.00 0.35 0.00 0.00 41.96 39.37 2bum s TYR 415 CO 0.19 -2.96 1.55 1.51 -1.34 0.00 0.00 175.55 174.49 2bum n ILE 416 N 0.23 1.10 -1.69 3.14 3.06 -1.26 -4.73 119.36 119.21 2bum n ILE 416 Ca 0.02 0.44 -0.43 0.00 -2.50 0.00 0.00 62.75 60.28 2bum n ILE 416 Cb 0.40 -1.37 -0.02 0.00 0.54 0.00 0.00 39.64 39.19 2bum n ILE 416 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2bum n GLY 417 N -0.64 0.75 3.77 4.50 0.00 -1.26 -4.87 105.19 107.43 2bum n GLY 417 Ca 0.01 0.42 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 2bum n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bum s ALA 418 N -0.49 3.18 0.60 4.61 0.00 -1.26 -4.75 121.76 123.65 2bum s ALA 418 Ca 0.62 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 53.43 2bum s ALA 418 Cb -0.60 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 2bum s ALA 418 CO 0.55 -0.55 1.05 -1.64 0.00 0.00 0.00 175.76 175.18 2bum s MET 419 N -2.25 3.32 -0.24 0.00 -1.94 -1.26 -4.58 119.30 112.34 2bum s MET 419 Ca 0.56 1.18 0.02 0.00 -1.71 0.00 0.00 55.69 55.74 2bum s MET 419 Cb -0.32 -2.03 0.05 0.00 2.01 0.00 0.00 34.83 34.55 2bum s MET 419 CO 0.40 -0.81 -0.10 0.34 -0.01 0.00 0.00 175.02 174.84 2bum s ASP 420 N -2.86 4.07 0.30 3.03 -1.08 -1.26 -4.98 116.67 113.88 2bum s ASP 420 Ca 0.63 -1.23 0.20 0.00 -0.52 0.00 0.00 52.55 51.64 2bum s ASP 420 Cb -0.16 -1.41 1.10 0.00 -1.46 0.00 0.00 42.92 40.99 2bum s ASP 420 CO 0.38 -0.18 1.63 -0.81 0.52 0.00 0.00 175.17 176.70 2bum n PRO 421 N 4.54 0.13 -0.35 4.34 -0.04 -1.26 -2.04 135.00 140.32 2bum n PRO 421 Ca -0.14 0.62 0.08 0.00 -0.04 0.00 0.00 63.50 64.02 2bum n PRO 421 Cb 0.44 -1.93 0.25 0.00 -0.04 0.00 0.00 33.50 32.22 2bum n PRO 421 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bum n ASN 422 N -2.21 3.69 -4.11 3.54 5.03 -1.26 -4.64 115.26 115.29 2bum n ASN 422 Ca -0.01 -2.21 -0.26 0.00 0.87 0.00 0.00 54.58 52.96 2bum n ASN 422 Cb 0.04 -0.41 -0.16 0.00 -1.02 0.00 0.00 39.78 38.23 2bum n ASN 422 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2bum s PHE 423 N -1.39 1.75 -0.22 3.10 5.36 -0.87 -3.52 117.98 122.20 2bum s PHE 423 Ca 0.38 -0.60 -0.12 0.00 -0.96 0.00 0.00 56.93 55.64 2bum s PHE 423 Cb 0.22 -1.21 -0.09 0.00 -0.34 0.00 0.00 43.02 41.60 2bum s PHE 423 CO 0.21 -0.25 -0.29 0.41 -1.46 0.00 0.00 175.22 173.84 2bum n GLY 424 N 3.45 -0.37 0.79 13.12 0.00 -1.26 -4.79 105.19 116.13 2bum n GLY 424 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2bum n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bum n GLY 425 N 1.59 0.76 3.09 -0.02 0.00 -1.26 -4.64 105.19 104.70 2bum n GLY 425 Ca -0.43 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2bum n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bum s GLY 427 N -0.24 0.19 0.13 0.00 0.00 -0.81 -4.80 107.32 101.79 2bum s GLY 427 Ca 0.04 -0.54 -0.24 0.00 0.00 0.00 0.00 44.72 43.97 2bum s GLY 427 CO -0.00 -0.37 0.68 1.09 0.00 0.00 0.00 173.10 174.49 2bum s ARG 428 N -3.95 1.20 0.17 2.90 1.70 -0.70 -1.10 118.95 119.17 2bum s ARG 428 Ca 0.16 -0.46 -0.24 0.00 -0.47 0.00 0.00 55.73 54.72 2bum s ARG 428 Cb -0.02 0.54 0.06 0.00 -0.57 0.00 0.00 34.95 34.95 2bum s ARG 428 CO 0.06 -0.53 0.85 -1.64 -1.08 0.00 0.00 175.30 172.95 2bum s MET 429 N -3.61 1.34 -0.09 3.89 1.00 -0.43 -3.24 119.30 118.16 2bum s MET 429 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 55.69 55.02 2bum s MET 429 Cb -0.01 0.48 -0.02 0.00 0.00 0.00 0.00 34.83 35.28 2bum s MET 429 CO -0.11 -0.61 -0.11 -0.51 0.00 0.00 0.00 175.02 173.68 2bum s LEU 430 N -2.87 2.87 0.62 -0.03 1.43 -1.26 -0.84 118.68 118.60 2bum s LEU 430 Ca 0.10 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 2bum s LEU 430 Cb -0.03 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2bum s LEU 430 CO 0.01 0.27 1.15 0.42 0.23 0.00 0.00 176.35 178.43 2bum s THR 431 N -0.29 2.98 0.00 5.49 -4.23 -0.42 -4.87 115.64 114.30 2bum s THR 431 Ca 0.03 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2bum s THR 431 Cb -0.13 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2bum s THR 431 CO 0.03 -0.21 0.00 -0.90 -0.54 0.00 0.00 174.62 173.00 2bum n ASP 432 N -1.94 0.00 0.18 3.99 5.68 -0.53 -1.89 116.55 122.04 2bum n ASP 432 Ca 0.12 -0.36 0.14 0.00 -0.50 0.00 0.00 54.79 54.19 2bum n ASP 432 Cb 0.51 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.07 2bum n ASP 432 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bum h ASP 433 N 0.00 0.00 -0.44 -1.12 3.32 -1.91 -1.91 116.42 114.36 2bum h ASP 433 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bum h ASP 433 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bum h ASP 433 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 2bum n ASN 434 N -2.53 3.51 -0.01 6.45 3.02 -1.26 -4.78 115.26 119.67 2bum n ASN 434 Ca 0.01 -1.99 -0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2bum n ASN 434 Cb 0.24 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2bum n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bum n GLY 435 N 1.53 0.48 3.78 7.41 0.00 -0.72 -4.73 105.19 112.94 2bum n GLY 435 Ca 0.20 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2bum n GLY 435 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bum s TYR 436 N -1.97 3.68 0.02 1.61 5.04 -1.26 -0.22 117.35 124.26 2bum s TYR 436 Ca 0.00 1.78 -0.03 0.00 -2.44 0.00 0.00 57.07 56.38 2bum s TYR 436 Cb 0.00 -2.96 -0.01 0.00 0.35 0.00 0.00 41.96 39.34 2bum s TYR 436 CO 0.00 0.13 0.05 1.52 -1.34 0.00 0.00 175.55 175.91 2bum s TYR 437 N -1.57 0.21 -0.20 4.97 -0.85 -0.46 -1.45 117.35 118.00 2bum s TYR 437 Ca 0.50 -0.47 -0.15 0.00 -0.52 0.00 0.00 57.07 56.42 2bum s TYR 437 Cb -0.20 -0.16 0.06 0.00 0.38 0.00 0.00 41.96 42.04 2bum s TYR 437 CO 0.25 -0.28 0.51 0.54 -1.52 0.00 0.00 175.55 175.06 2bum s VAL 438 N -1.96 -0.01 0.20 -3.49 0.11 -1.26 -1.81 120.40 112.18 2bum s VAL 438 Ca -0.11 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 2bum s VAL 438 Cb -0.06 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2bum s VAL 438 CO -0.02 0.01 0.20 0.72 -3.33 0.00 0.00 175.10 172.68 2bum s PHE 439 N 0.74 0.92 0.07 1.54 -0.71 -0.29 -4.94 117.98 115.30 2bum s PHE 439 Ca -0.04 -1.19 0.06 0.00 -1.04 0.00 0.00 56.93 54.72 2bum s PHE 439 Cb -0.05 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.36 2bum s PHE 439 CO -0.05 -0.70 -0.18 0.50 -1.34 0.00 0.00 175.22 173.44 2bum s ARG 440 N -4.11 1.06 0.06 1.99 3.52 -0.57 -1.36 118.95 119.55 2bum s ARG 440 Ca 0.33 -0.97 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2bum s ARG 440 Cb 0.05 -1.17 0.01 0.00 -1.56 0.00 0.00 34.95 32.28 2bum s ARG 440 CO 0.10 0.28 0.18 -2.37 -0.81 0.00 0.00 175.30 172.68 2bum n THR 441 N 1.50 0.00 -4.27 4.11 5.66 0.05 -0.83 114.28 120.50 2bum n THR 441 Ca -0.19 -0.15 -0.35 0.00 -3.05 0.00 0.00 64.05 60.31 2bum n THR 441 Cb 0.54 0.18 -0.10 0.00 -1.55 0.00 0.00 70.33 69.40 2bum n THR 441 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2bum s ILE 442 N -2.64 4.40 0.06 1.09 -1.09 -1.26 -1.40 121.20 120.36 2bum s ILE 442 Ca 0.04 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 2bum s ILE 442 Cb -0.01 -2.90 -0.09 0.00 -1.58 0.00 0.00 42.46 37.89 2bum s ILE 442 CO 0.02 0.56 1.76 -0.75 -1.23 0.00 0.00 174.94 175.29 2bum s LYS 443 N -0.40 4.17 0.51 2.79 2.20 0.14 -4.87 119.74 124.28 2bum s LYS 443 Ca 0.08 2.43 -0.21 0.00 -0.36 0.00 0.00 55.97 57.91 2bum s LYS 443 Cb -0.12 -3.76 -0.06 0.00 -1.51 0.00 0.00 37.83 32.38 2bum s LYS 443 CO 0.02 -0.82 1.19 -1.25 -0.36 0.00 0.00 175.35 174.13 2bum s PRO 444 N 3.20 3.47 0.34 4.03 0.04 -1.26 -4.25 135.00 140.57 2bum s PRO 444 Ca 0.78 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 63.54 2bum s PRO 444 Cb -0.41 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 2bum s PRO 444 CO 0.35 -0.80 0.67 0.20 0.04 0.00 0.00 177.00 177.46 2bum s GLY 445 N -1.43 2.02 0.98 0.56 0.00 -0.57 -4.65 107.32 104.23 2bum s GLY 445 Ca 0.69 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 2bum s GLY 445 CO 0.34 -0.12 1.08 -4.14 0.00 0.00 0.00 173.10 170.27 2bum s PRO 446 N -3.50 0.54 0.06 2.90 0.02 -1.26 -4.01 135.00 129.75 2bum s PRO 446 Ca 0.49 0.97 -0.19 0.00 0.02 0.00 0.00 61.00 62.28 2bum s PRO 446 Cb -0.11 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.74 2bum s PRO 446 CO 0.28 -2.77 0.45 1.52 -0.33 0.00 0.00 177.00 176.15 2bum s TYR 447 N -2.74 -0.32 0.50 6.54 -0.85 -1.12 -4.26 117.35 115.10 2bum s TYR 447 Ca 0.66 0.27 -0.09 0.00 -0.52 0.00 0.00 57.07 57.39 2bum s TYR 447 Cb -0.21 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 2bum s TYR 447 CO 0.59 -0.62 0.85 -1.25 -1.52 0.00 0.00 175.55 173.60 2bum s PRO 448 N -2.69 3.65 0.15 -3.49 0.04 -1.26 -0.75 135.00 130.65 2bum s PRO 448 Ca -0.04 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 2bum s PRO 448 Cb -0.00 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.30 2bum s PRO 448 CO -0.04 -0.25 0.54 1.67 0.04 0.00 0.00 177.00 178.96 2bum s TRP 449 N -2.74 -0.40 -0.61 0.56 1.48 -0.68 -4.90 118.94 111.65 2bum s TRP 449 Ca 0.51 0.15 -0.16 0.00 -1.06 0.00 0.00 56.10 55.54 2bum s TRP 449 Cb -0.10 0.46 0.15 0.00 -1.16 0.00 0.00 33.47 32.82 2bum s TRP 449 CO 0.42 -0.82 0.58 0.50 -4.06 0.00 0.00 176.95 173.57 2bum s ARG 450 N -3.78 3.14 0.00 3.25 3.52 -1.26 -3.50 118.95 120.32 2bum s ARG 450 Ca 0.02 -1.87 0.00 0.00 -0.13 0.00 0.00 55.73 53.75 2bum s ARG 450 Cb -0.00 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 2bum s ARG 450 CO -0.12 -1.33 0.00 -1.71 -0.81 0.00 0.00 175.30 171.33 2bum n ASN 451 N 5.00 0.00 -4.93 -2.12 5.15 -1.26 -4.96 115.26 112.14 2bum n ASN 451 Ca -0.07 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.65 2bum n ASN 451 Cb 0.42 -0.02 -0.01 0.00 -0.53 0.00 0.00 39.78 39.63 2bum n ASN 451 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2bum s ARG 452 N -0.14 3.53 0.49 1.20 0.52 -1.26 -4.97 118.95 118.32 2bum s ARG 452 Ca 0.00 -0.16 0.14 0.00 -0.52 0.00 0.00 55.73 55.18 2bum s ARG 452 Cb 0.00 -2.61 1.15 0.00 0.52 0.00 0.00 34.95 34.01 2bum s ARG 452 CO 0.00 0.11 2.12 -0.84 0.02 0.00 0.00 175.30 176.71 2bum h ILE 453 N 0.82 1.02 -1.41 1.52 -0.00 -1.93 -2.68 117.51 114.86 2bum h ILE 453 Ca -0.49 -0.06 -0.69 0.00 -0.00 0.00 0.00 64.86 63.63 2bum h ILE 453 Cb 1.21 0.84 -0.32 0.00 -0.00 0.00 0.00 36.82 38.55 2bum h ILE 453 CO 0.63 0.03 0.55 -3.20 -0.00 0.00 0.00 178.15 176.16 2bum n ASN 454 N -4.52 6.95 -4.84 2.16 2.85 -1.26 -4.79 115.26 111.82 2bum n ASN 454 Ca -0.01 -3.80 -0.34 0.00 -0.11 0.00 0.00 54.58 50.33 2bum n ASN 454 Cb 0.10 -0.87 -0.06 0.00 1.24 0.00 0.00 39.78 40.19 2bum n ASN 454 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2bum s GLU 455 N -3.86 4.02 -0.03 1.20 2.56 -1.01 -5.00 118.70 116.57 2bum s GLU 455 Ca 0.56 0.61 -0.01 0.00 0.00 0.00 0.00 54.97 56.13 2bum s GLU 455 Cb 0.46 -2.71 0.03 0.00 2.00 0.00 0.00 34.13 33.91 2bum s GLU 455 CO -0.18 0.32 0.03 -1.58 -0.56 0.00 0.00 175.26 173.30 2bum s TRP 456 N -1.71 0.13 0.30 5.30 0.52 -1.26 -1.68 118.94 120.55 2bum s TRP 456 Ca 0.46 0.14 -0.27 0.00 0.02 0.00 0.00 56.10 56.45 2bum s TRP 456 Cb -0.13 -0.39 -0.10 0.00 -1.15 0.00 0.00 33.47 31.70 2bum s TRP 456 CO 0.19 -0.15 0.95 1.03 0.02 0.00 0.00 176.95 178.99 2bum s ARG 457 N 1.53 4.64 0.92 4.98 1.81 0.07 -4.75 118.95 128.15 2bum s ARG 457 Ca -0.03 1.37 -0.12 0.00 -1.72 0.00 0.00 55.73 55.23 2bum s ARG 457 Cb -0.13 -2.91 0.14 0.00 -0.45 0.00 0.00 34.95 31.60 2bum s ARG 457 CO -0.03 0.33 1.11 -2.14 -0.68 0.00 0.00 175.30 173.89 2bum s PRO 458 N -1.85 1.08 0.36 3.54 0.01 -1.26 -2.79 135.00 134.09 2bum s PRO 458 Ca 0.48 0.49 -0.28 0.00 0.01 0.00 0.00 61.00 61.69 2bum s PRO 458 Cb -0.20 -1.82 -0.11 0.00 0.01 0.00 0.00 34.50 32.38 2bum s PRO 458 CO 0.26 -2.28 1.41 0.00 0.01 0.00 0.00 177.00 176.40 2bum s ALA 459 N -3.11 3.54 0.07 -1.55 0.00 -1.26 -4.71 121.76 114.73 2bum s ALA 459 Ca 0.64 1.44 -0.20 0.00 0.00 0.00 0.00 51.96 53.84 2bum s ALA 459 Cb -0.16 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.45 2bum s ALA 459 CO 0.55 -0.88 0.47 -3.38 0.00 0.00 0.00 175.76 172.53 2bum s HIS 460 N -1.13 -0.35 -0.12 0.00 -3.43 -1.26 -4.23 115.29 104.77 2bum s HIS 460 Ca 0.51 0.28 0.03 0.00 -0.80 0.00 0.00 55.06 55.08 2bum s HIS 460 Cb -0.44 0.31 0.01 0.00 -1.43 0.00 0.00 32.58 31.03 2bum s HIS 460 CO 0.59 -0.65 -0.23 0.42 -2.00 0.00 0.00 174.74 172.87 2bum s ILE 461 N -2.81 2.07 0.18 -5.38 1.01 -0.67 -4.65 121.20 110.95 2bum s ILE 461 Ca -0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2bum s ILE 461 Cb -0.00 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 2bum s ILE 461 CO -0.05 0.55 0.93 -1.00 0.00 0.00 0.00 174.94 175.38 2bum s HIS 462 N 0.63 3.91 0.03 3.97 3.76 -0.48 -1.45 115.29 125.66 2bum s HIS 462 Ca -0.12 1.84 -0.00 0.00 -0.15 0.00 0.00 55.06 56.64 2bum s HIS 462 Cb -0.16 -2.99 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 2bum s HIS 462 CO 0.02 0.37 -0.04 -0.59 -0.85 0.00 0.00 174.74 173.66 2bum s PHE 463 N -0.73 0.40 0.00 1.40 -0.71 -0.41 -1.81 117.98 116.12 2bum s PHE 463 Ca 0.43 -0.70 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 2bum s PHE 463 Cb -0.25 -0.28 -0.00 0.00 -1.21 0.00 0.00 43.02 41.28 2bum s PHE 463 CO 0.31 -0.23 -0.02 0.45 -1.34 0.00 0.00 175.22 174.38 2bum s SER 464 N -1.98 0.21 -0.05 1.98 0.15 -0.29 -1.11 113.70 112.60 2bum s SER 464 Ca -0.07 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.50 2bum s SER 464 Cb -0.04 -0.00 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 2bum s SER 464 CO -0.04 -0.03 -0.10 -0.76 1.20 0.00 0.00 173.24 173.51 2bum s LEU 465 N -0.25 1.63 -0.18 3.45 1.02 -0.27 -1.29 118.68 122.80 2bum s LEU 465 Ca -0.02 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.90 2bum s LEU 465 Cb -0.02 -0.70 0.02 0.00 0.02 0.00 0.00 46.19 45.52 2bum s LEU 465 CO -0.00 0.03 -0.18 -0.63 0.02 0.00 0.00 176.35 175.60 2bum s ILE 466 N 0.56 1.93 0.00 -0.59 1.01 -0.36 -3.14 121.20 120.62 2bum s ILE 466 Ca -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2bum s ILE 466 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2bum s ILE 466 CO 0.02 0.46 0.00 0.00 0.00 0.00 0.00 174.94 175.43 2bum n ALA 467 N 4.65 0.00 0.03 9.38 0.00 -1.26 -0.74 120.51 132.56 2bum n ALA 467 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 2bum n ALA 467 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.81 2bum n ALA 467 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bum h ASP 468 N 0.00 0.13 -4.30 0.00 3.32 -1.92 -3.43 116.42 110.22 2bum h ASP 468 Ca 0.00 -0.19 -0.46 0.00 0.02 0.00 0.00 57.03 56.40 2bum h ASP 468 Cb 0.00 -0.04 -0.25 0.00 0.22 0.00 0.00 39.33 39.25 2bum h ASP 468 CO 0.00 1.16 -0.80 -0.83 -1.72 0.00 0.00 179.24 177.05 2bum s GLY 469 N -4.98 0.80 0.36 2.75 0.00 -1.26 -2.98 107.32 102.01 2bum s GLY 469 Ca -0.05 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.92 2bum s GLY 469 CO 0.83 -0.77 1.95 -0.25 0.00 0.00 0.00 173.10 174.85 2bum h TRP 470 N 5.05 0.78 -0.01 1.90 -0.00 -0.62 0.62 115.95 123.67 2bum h TRP 470 Ca -0.38 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.53 2bum h TRP 470 Cb 1.18 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.16 30.08 2bum h TRP 470 CO 0.51 0.40 0.08 0.00 -0.00 0.00 0.00 178.44 179.43 2bum h ALA 471 N 1.60 1.14 0.00 2.65 0.00 -1.65 -1.90 119.26 121.09 2bum h ALA 471 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2bum h ALA 471 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2bum h ALA 471 CO -0.11 -0.08 -0.27 1.04 0.00 0.00 0.00 179.25 179.82 2bum n GLN 472 N -3.13 0.03 -1.65 0.00 6.02 0.21 -4.92 117.38 113.94 2bum n GLN 472 Ca -0.03 0.02 -0.55 0.00 -0.01 0.00 0.00 57.00 56.43 2bum n GLN 472 Cb 0.15 -1.53 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 2bum n GLN 472 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2bum n ARG 473 N -1.58 1.14 -3.77 -1.09 3.00 -0.72 -4.82 116.66 108.83 2bum n ARG 473 Ca 0.06 0.41 -0.13 0.00 -0.00 0.00 0.00 57.85 58.20 2bum n ARG 473 Cb 0.35 -2.08 -0.12 0.00 0.00 0.00 0.00 32.46 30.61 2bum n ARG 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2bum s LEU 474 N 2.05 0.83 -0.03 6.15 2.96 -1.19 -5.05 118.68 124.41 2bum s LEU 474 Ca 0.92 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 55.37 2bum s LEU 474 Cb -1.02 0.78 -0.01 0.00 0.50 0.00 0.00 46.19 46.45 2bum s LEU 474 CO 0.57 -0.11 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.69 2bum s ILE 475 N 0.56 1.32 0.00 6.68 1.01 -1.26 -1.11 121.20 128.40 2bum s ILE 475 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2bum s ILE 475 Cb -0.05 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2bum s ILE 475 CO -0.03 0.38 0.00 -0.24 0.00 0.00 0.00 174.94 175.05 2bum n SER 476 N 2.98 0.00 -3.78 3.58 2.88 -0.27 -5.01 113.62 113.99 2bum n SER 476 Ca -0.17 -0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.14 2bum n SER 476 Cb 0.54 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 2bum n SER 476 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2bum s GLN 477 N 0.69 0.32 0.24 -1.46 -0.21 -1.26 -1.29 119.66 116.69 2bum s GLN 477 Ca 0.00 0.34 0.11 0.00 0.02 0.00 0.00 55.36 55.83 2bum s GLN 477 Cb 0.00 0.16 -0.05 0.00 1.00 0.00 0.00 33.01 34.12 2bum s GLN 477 CO 0.00 -0.04 -0.17 -0.59 -2.12 0.00 0.00 175.29 172.36 2bum s PHE 478 N 0.07 2.38 0.45 0.91 -0.12 -0.53 -4.88 117.98 116.27 2bum s PHE 478 Ca -0.01 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.59 2bum s PHE 478 Cb -0.02 -1.09 -0.04 0.00 -0.63 0.00 0.00 43.02 41.24 2bum s PHE 478 CO 0.00 0.62 0.03 0.71 -0.05 0.00 0.00 175.22 176.54 2bum s TYR 479 N -2.17 2.03 -0.12 3.49 2.02 0.47 -1.67 117.35 121.41 2bum s TYR 479 Ca 0.27 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 2bum s TYR 479 Cb -0.06 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2bum s TYR 479 CO 0.14 0.18 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.11 2bum s PHE 480 N -2.93 2.80 0.11 2.71 0.40 -1.26 0.21 117.98 120.02 2bum s PHE 480 Ca 0.19 -0.54 -0.36 0.00 -0.60 0.00 0.00 56.93 55.62 2bum s PHE 480 Cb 0.05 -1.81 -0.16 0.00 0.51 0.00 0.00 43.02 41.60 2bum s PHE 480 CO 0.10 -0.13 1.29 -1.91 0.70 0.00 0.00 175.22 175.26 2bum n GLU 481 N 3.30 1.15 0.00 0.44 2.13 -0.46 -2.22 120.64 124.98 2bum n GLU 481 Ca -0.18 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2bum n GLU 481 Cb 0.53 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2bum n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bum n GLY 482 N 2.37 2.33 3.67 8.31 0.00 -1.26 -4.95 105.19 115.66 2bum n GLY 482 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 2bum n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bum n ASP 483 N 0.00 3.79 0.13 1.61 -0.08 -0.94 -4.87 116.55 116.18 2bum n ASP 483 Ca 0.00 0.95 0.12 0.00 -1.51 0.00 0.00 54.79 54.35 2bum n ASP 483 Cb 0.00 -1.45 0.48 0.00 2.34 0.00 0.00 41.12 42.48 2bum n ASP 483 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2bum n THR 484 N 5.18 0.78 0.39 5.18 -2.24 -1.26 -2.53 114.28 119.78 2bum n THR 484 Ca 0.21 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.26 2bum n THR 484 Cb 0.35 -1.06 0.42 0.00 -2.10 0.00 0.00 70.33 67.93 2bum n THR 484 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2bum h LEU 485 N 0.00 0.00 -1.19 3.22 3.38 -1.95 -3.20 115.31 115.57 2bum h LEU 485 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2bum h LEU 485 Cb 0.43 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2bum h LEU 485 CO 0.00 0.00 0.58 0.40 0.09 0.00 0.00 178.44 179.51 2bum h ILE 486 N 0.00 0.97 0.00 1.22 2.04 -1.88 -2.01 117.51 117.85 2bum h ILE 486 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2bum h ILE 486 Cb 0.69 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2bum h ILE 486 CO 0.00 0.16 0.00 0.47 0.00 0.00 0.00 178.15 178.78 2bum n ASP 487 N -4.53 0.48 -0.10 1.72 8.00 -1.21 -3.51 116.55 117.40 2bum n ASP 487 Ca 0.15 0.58 0.06 0.00 0.71 0.00 0.00 54.79 56.29 2bum n ASP 487 Cb 0.31 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 2bum n ASP 487 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bum n SER 488 N -1.99 0.85 -4.65 -2.24 7.64 -0.78 -5.02 113.62 107.42 2bum n SER 488 Ca 0.04 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.57 2bum n SER 488 Cb 0.30 0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 64.28 2bum n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bum h PRO 490 N 9.12 0.00 -0.22 0.00 0.11 -1.92 -0.03 132.00 139.06 2bum h PRO 490 Ca -0.31 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 2bum h PRO 490 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bum h PRO 490 CO 0.98 0.21 -0.33 0.82 -0.21 0.00 0.00 178.00 179.46 2bum h ILE 491 N 0.00 1.32 -0.13 4.15 2.04 -1.91 -2.83 117.51 120.16 2bum h ILE 491 Ca -0.00 -1.54 -0.12 0.00 1.00 0.00 0.00 64.86 64.20 2bum h ILE 491 Cb 0.41 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2bum h ILE 491 CO 0.03 0.48 -0.44 0.25 0.00 0.00 0.00 178.15 178.47 2bum h LEU 492 N 0.31 0.32 0.00 1.44 5.85 -1.88 -2.49 115.31 118.86 2bum h LEU 492 Ca 0.02 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2bum h LEU 492 Cb 0.92 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2bum h LEU 492 CO 0.08 0.72 0.00 0.29 -0.34 0.00 0.00 178.44 179.18 2bum n LYS 493 N -4.00 0.46 0.20 1.25 5.02 -0.04 -1.76 118.16 119.28 2bum n LYS 493 Ca -0.02 0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.47 2bum n LYS 493 Cb 0.50 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.56 2bum n LYS 493 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2bum h THR 494 N 0.00 0.00 -3.16 -0.18 1.35 -1.19 -3.41 112.91 106.32 2bum h THR 494 Ca 0.00 -0.43 -0.57 0.00 -0.55 0.00 0.00 66.41 64.86 2bum h THR 494 Cb 0.09 1.32 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 2bum h THR 494 CO 0.00 0.00 0.68 -0.63 -0.25 0.00 0.00 175.52 175.32 2bum s ILE 495 N -3.44 4.70 0.23 6.82 1.01 -0.72 -4.22 121.20 125.58 2bum s ILE 495 Ca 0.04 2.00 -0.08 0.00 0.00 0.00 0.00 60.65 62.60 2bum s ILE 495 Cb 0.09 -4.29 0.19 0.00 0.01 0.00 0.00 42.46 38.47 2bum s ILE 495 CO 0.50 -0.08 1.89 -0.65 0.00 0.00 0.00 174.94 176.60 2bum h PRO 496 N 7.30 1.07 -6.12 2.79 0.11 -1.80 -3.45 132.00 131.89 2bum h PRO 496 Ca -0.26 -0.06 -0.64 0.00 0.11 0.00 0.00 66.00 65.14 2bum h PRO 496 Cb 1.11 -0.24 -0.09 0.00 0.11 0.00 0.00 31.00 31.89 2bum h PRO 496 CO 0.91 0.71 -0.59 -1.54 -0.21 0.00 0.00 178.00 177.27 2bum s SER 497 N -5.92 5.57 0.25 -2.05 1.04 -1.26 -5.00 113.70 106.33 2bum s SER 497 Ca -0.13 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 2bum s SER 497 Cb 0.16 -1.53 0.32 0.00 0.10 0.00 0.00 66.02 65.07 2bum s SER 497 CO 0.79 0.21 1.74 -0.08 0.98 0.00 0.00 173.24 176.87 2bum h GLU 498 N 3.58 0.76 -0.61 4.02 4.57 -2.00 -2.19 114.58 122.71 2bum h GLU 498 Ca -0.47 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.46 2bum h GLU 498 Cb 1.17 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 2bum h GLU 498 CO 0.65 0.81 0.30 -0.56 -1.18 0.00 0.00 179.01 179.03 2bum h GLN 499 N 0.70 0.85 -0.06 1.92 3.07 -1.99 -1.72 115.11 117.88 2bum h GLN 499 Ca 0.13 -0.10 -0.18 0.00 0.09 0.00 0.00 58.65 58.59 2bum h GLN 499 Cb 0.51 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 2bum h GLN 499 CO 0.03 0.65 -0.74 1.96 0.09 0.00 0.00 178.83 180.82 2bum h GLN 500 N 0.85 0.35 -0.82 0.06 1.08 -1.90 -2.66 115.11 112.08 2bum h GLN 500 Ca 0.21 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2bum h GLN 500 Cb 0.07 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 2bum h GLN 500 CO -0.03 0.94 0.53 0.00 -0.95 0.00 0.00 178.83 179.32 2bum h ARG 501 N 0.24 1.02 0.00 1.46 3.08 -0.85 -2.26 114.38 117.07 2bum h ARG 501 Ca -0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2bum h ARG 501 Cb 1.31 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2bum h ARG 501 CO 0.12 0.68 -0.13 0.00 -1.07 0.00 0.00 179.97 179.57 2bum h ARG 502 N 1.05 0.00 0.00 0.04 3.08 -1.17 -2.30 114.38 115.08 2bum h ARG 502 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2bum h ARG 502 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2bum h ARG 502 CO -0.09 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2bum n ALA 503 N -2.29 1.52 -0.34 0.04 0.00 -0.85 -1.95 120.51 116.63 2bum n ALA 503 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2bum n ALA 503 Cb 0.25 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 18.79 2bum n ALA 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bum n LEU 504 N -1.47 3.68 -4.50 0.00 4.77 -0.86 -4.93 117.00 113.69 2bum n LEU 504 Ca 0.03 -2.05 -0.39 0.00 -0.03 0.00 0.00 56.01 53.57 2bum n LEU 504 Cb 0.12 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2bum n LEU 504 CO 0.10 0.89 -0.17 -0.63 -1.33 0.00 0.00 177.39 176.25 2bum s ILE 505 N -1.09 4.99 0.14 -0.08 1.01 -0.82 -0.39 121.20 124.96 2bum s ILE 505 Ca 0.41 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 2bum s ILE 505 Cb 0.22 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.11 2bum s ILE 505 CO 0.27 0.08 1.16 0.00 0.00 0.00 0.00 174.94 176.45 2bum s ALA 506 N 1.68 3.39 -0.08 9.38 0.00 0.13 -4.84 121.76 131.42 2bum s ALA 506 Ca 0.06 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 2bum s ALA 506 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2bum s ALA 506 CO 0.09 -0.32 0.26 -0.51 0.00 0.00 0.00 175.76 175.27 2bum s LEU 507 N 0.14 4.40 0.21 0.00 2.01 -0.10 -1.35 118.68 123.98 2bum s LEU 507 Ca 0.53 0.66 -0.32 0.00 0.01 0.00 0.00 54.13 55.01 2bum s LEU 507 Cb -0.30 -2.31 -0.13 0.00 0.01 0.00 0.00 46.19 43.46 2bum s LEU 507 CO 0.33 0.34 1.55 1.21 1.01 0.00 0.00 176.35 180.79 2bum n GLU 508 N 2.13 2.27 -3.65 1.70 2.13 -1.26 -0.19 120.64 123.77 2bum n GLU 508 Ca -0.17 0.81 -0.27 0.00 0.66 0.00 0.00 57.16 58.19 2bum n GLU 508 Cb 0.54 -2.56 -0.10 0.00 0.27 0.00 0.00 31.44 29.58 2bum n GLU 508 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2bum n ASP 509 N 2.99 2.98 -0.24 4.31 -0.08 -0.59 -4.80 116.55 121.11 2bum n ASP 509 Ca 0.14 -3.23 0.08 0.00 -1.51 0.00 0.00 54.79 50.27 2bum n ASP 509 Cb 0.31 -0.71 0.34 0.00 2.34 0.00 0.00 41.12 43.41 2bum n ASP 509 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2bum h LYS 510 N 4.86 0.75 0.00 -0.67 3.64 -1.92 -1.15 116.57 122.08 2bum h LYS 510 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2bum h LYS 510 Cb 0.73 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2bum h LYS 510 CO 0.73 0.50 0.00 0.77 -2.27 0.00 0.00 179.45 179.18 2bum h SER 511 N 0.78 0.00 -0.61 4.20 0.02 -1.96 -2.51 113.55 113.46 2bum h SER 511 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2bum h SER 511 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2bum h SER 511 CO -0.15 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.13 2bum n ASN 512 N -2.84 3.50 -4.75 3.07 3.02 -0.44 -4.93 115.26 111.89 2bum n ASN 512 Ca 0.01 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 2bum n ASN 512 Cb 0.29 -0.41 0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2bum n ASN 512 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2bum s PHE 513 N -1.19 2.41 -0.30 3.10 0.40 -0.95 -4.64 117.98 116.81 2bum s PHE 513 Ca 0.43 1.57 -0.07 0.00 -0.60 0.00 0.00 56.93 58.26 2bum s PHE 513 Cb 0.23 -3.31 0.01 0.00 0.51 0.00 0.00 43.02 40.46 2bum s PHE 513 CO 0.30 -2.04 0.09 0.42 0.70 0.00 0.00 175.22 174.69 2bum s ILE 514 N -2.11 3.98 0.25 0.64 1.01 -0.06 -5.01 121.20 119.90 2bum s ILE 514 Ca 0.71 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 2bum s ILE 514 Cb -0.24 -3.07 -0.15 0.00 0.01 0.00 0.00 42.46 39.01 2bum s ILE 514 CO 0.41 0.05 1.03 -1.84 0.00 0.00 0.00 174.94 174.58 2bum n GLU 515 N 4.87 1.24 -2.66 2.79 0.00 -1.26 -1.72 120.64 123.89 2bum n GLU 515 Ca -0.14 0.44 -0.16 0.00 0.00 0.00 0.00 57.16 57.29 2bum n GLU 515 Cb 0.48 -1.82 -0.00 0.00 0.00 0.00 0.00 31.44 30.09 2bum n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bum n ALA 516 N 0.56 -0.83 -0.69 -1.84 0.00 -1.26 -4.71 120.51 111.74 2bum n ALA 516 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2bum n ALA 516 Cb 0.30 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2bum n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bum n ASP 517 N -1.99 0.00 -3.94 0.00 -0.08 -0.70 -5.17 116.55 104.66 2bum n ASP 517 Ca -0.13 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.06 2bum n ASP 517 Cb 0.61 0.05 -0.09 0.00 2.34 0.00 0.00 41.12 44.02 2bum n ASP 517 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2bum s SER 518 N -0.05 0.20 0.66 1.67 0.01 -0.71 -4.77 113.70 110.71 2bum s SER 518 Ca 0.00 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2bum s SER 518 Cb 0.00 0.22 0.10 0.00 0.21 0.00 0.00 66.02 66.55 2bum s SER 518 CO 0.00 -0.51 0.92 -0.13 0.41 0.00 0.00 173.24 173.93 2bum s ARG 519 N -2.64 1.96 -0.08 12.44 0.52 -0.80 -0.89 118.95 129.46 2bum s ARG 519 Ca -0.05 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 53.97 2bum s ARG 519 Cb -0.01 -2.41 0.02 0.00 0.52 0.00 0.00 34.95 33.07 2bum s ARG 519 CO -0.05 -1.20 0.21 0.00 0.02 0.00 0.00 175.30 174.28 2bum s TYR 521 N 0.14 1.98 -0.17 0.00 1.51 0.10 -1.55 117.35 119.36 2bum s TYR 521 Ca -0.00 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2bum s TYR 521 Cb -0.02 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2bum s TYR 521 CO 0.00 0.08 0.03 0.50 -1.11 0.00 0.00 175.55 175.05 2bum s ARG 522 N -1.08 3.89 -0.22 -0.62 6.06 0.73 -1.45 118.95 126.27 2bum s ARG 522 Ca 0.09 -0.39 -0.04 0.00 -2.50 0.00 0.00 55.73 52.89 2bum s ARG 522 Cb -0.09 -3.13 0.12 0.00 0.06 0.00 0.00 34.95 31.91 2bum s ARG 522 CO 0.01 0.27 0.35 0.12 -2.50 0.00 0.00 175.30 173.56 2bum s PHE 523 N 0.34 -0.70 0.13 5.12 5.36 -0.30 -0.93 117.98 127.01 2bum s PHE 523 Ca 0.01 0.83 -0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2bum s PHE 523 Cb -0.13 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.50 2bum s PHE 523 CO 0.01 -0.64 0.30 -0.51 -1.46 0.00 0.00 175.22 172.92 2bum s ASP 524 N 2.51 6.38 -0.01 6.13 1.01 -1.26 -3.95 116.67 127.47 2bum s ASP 524 Ca 0.09 0.31 0.06 0.00 0.71 0.00 0.00 52.55 53.72 2bum s ASP 524 Cb -0.15 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 2bum s ASP 524 CO -0.14 0.06 -0.19 -0.63 0.21 0.00 0.00 175.17 174.49 2bum s ILE 525 N -1.69 1.47 -0.11 0.77 1.01 -0.23 -4.95 121.20 117.47 2bum s ILE 525 Ca 0.36 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2bum s ILE 525 Cb -0.12 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.12 2bum s ILE 525 CO 0.28 0.39 -0.23 -0.89 0.00 0.00 0.00 174.94 174.49 2bum s THR 526 N -0.47 2.04 0.33 2.92 2.01 -1.26 -1.66 115.64 119.56 2bum s THR 526 Ca 0.07 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.15 2bum s THR 526 Cb -0.07 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2bum s THR 526 CO -0.00 0.55 0.23 -0.76 -0.69 0.00 0.00 174.62 173.95 2bum s LEU 527 N 0.46 3.48 0.51 4.42 1.43 -0.05 -4.92 118.68 124.02 2bum s LEU 527 Ca -0.16 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.12 2bum s LEU 527 Cb -0.17 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 2bum s LEU 527 CO 0.06 -0.32 1.38 0.54 0.23 0.00 0.00 176.35 178.24 2bum n ARG 528 N -1.29 1.91 -4.17 1.70 1.74 -1.26 -0.29 116.66 115.01 2bum n ARG 528 Ca -0.02 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.46 2bum n ARG 528 Cb 0.60 -2.59 -0.08 0.00 -1.02 0.00 0.00 32.46 29.37 2bum n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bum s GLY 529 N -0.73 1.84 0.30 -0.13 0.00 -1.26 -4.49 107.32 102.84 2bum s GLY 529 Ca 0.67 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 2bum s GLY 529 CO 0.53 -1.20 0.66 0.50 0.00 0.00 0.00 173.10 173.58 2bum s ARG 530 N -2.45 3.86 0.10 2.90 0.52 -1.26 -0.87 118.95 121.74 2bum s ARG 530 Ca 0.25 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.91 2bum s ARG 530 Cb -0.11 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2bum s ARG 530 CO 0.17 0.18 0.23 1.03 0.02 0.00 0.00 175.30 176.94 2bum s ARG 531 N -3.13 3.39 0.41 3.54 0.52 -0.64 -4.89 118.95 118.15 2bum s ARG 531 Ca 0.50 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 55.08 2bum s ARG 531 Cb -0.11 -2.98 -0.06 0.00 0.52 0.00 0.00 34.95 32.32 2bum s ARG 531 CO 0.22 0.57 0.77 0.00 0.02 0.00 0.00 175.30 176.88 2bum s ALA 532 N -1.61 3.36 -0.10 2.13 0.00 -1.26 -0.18 121.76 124.09 2bum s ALA 532 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2bum s ALA 532 Cb -0.12 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 2bum s ALA 532 CO 0.28 -0.04 -0.10 0.99 0.00 0.00 0.00 175.76 176.90 2bum s THR 533 N -2.40 3.42 0.00 0.00 2.01 0.30 -4.68 115.64 114.30 2bum s THR 533 Ca 0.51 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2bum s THR 533 Cb -0.10 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2bum s THR 533 CO 0.32 0.56 0.00 -1.22 -0.69 0.00 0.00 174.62 173.59 2bum n TYR 534 N 2.83 0.00 0.00 4.92 4.01 -1.26 -4.41 117.16 123.25 2bum n TYR 534 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2bum n TYR 534 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2bum n TYR 534 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2bum n PHE 535 N -0.90 0.00 -1.76 -0.72 3.72 -1.26 -5.07 117.46 111.48 2bum n PHE 535 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2bum n PHE 535 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2bum n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2bum n GLU 536 N 0.00 2.74 -3.66 -1.08 4.71 -1.26 -4.97 120.64 117.13 2bum n GLU 536 Ca 0.00 0.97 -0.39 0.00 -0.01 0.00 0.00 57.16 57.73 2bum n GLU 536 Cb 0.00 -2.75 -0.10 0.00 -1.01 0.00 0.00 31.44 27.58 2bum n GLU 536 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2bum s ASN 537 N 0.34 5.51 0.00 1.62 2.47 -1.26 -4.94 114.94 118.68 2bum s ASN 537 Ca 0.61 -1.69 0.25 0.00 0.42 0.00 0.00 52.86 52.44 2bum s ASN 537 Cb -0.48 -1.94 0.44 0.00 -1.45 0.00 0.00 41.25 37.82 2bum s ASN 537 CO 0.53 -0.55 1.36 0.47 -3.72 0.00 0.00 177.10 175.19 2bum n ASP 538 N 4.82 0.90 -0.33 -4.21 8.00 -1.26 -4.43 116.55 120.05 2bum n ASP 538 Ca -0.08 -0.70 0.21 0.00 0.71 0.00 0.00 54.79 54.92 2bum n ASP 538 Cb 0.42 0.34 0.42 0.00 -0.02 0.00 0.00 41.12 42.28 2bum n ASP 538 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2bum h LEU 539 N 0.66 0.48 -0.88 0.64 5.85 -1.92 -3.52 115.31 116.62 2bum h LEU 539 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2bum h LEU 539 Cb 0.53 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2bum h LEU 539 CO 0.00 -0.08 0.00 0.41 -0.34 0.00 0.00 178.44 178.43