#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buq s ILE 304 N 0.00 4.25 0.18 1.39 1.01 -1.26 -5.04 121.20 121.72 2buq s ILE 304 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 2buq s ILE 304 Cb 0.00 -3.01 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 2buq s ILE 304 CO 0.00 0.31 0.72 0.26 0.00 0.00 0.00 174.94 176.23 2buq s TRP 305 N 1.60 3.78 0.00 3.97 0.52 -1.26 0.22 118.94 127.77 2buq s TRP 305 Ca 0.06 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.65 2buq s TRP 305 Cb -0.15 -2.66 0.00 0.00 -1.15 0.00 0.00 33.47 29.51 2buq s TRP 305 CO 0.03 0.45 0.00 0.41 0.02 0.00 0.00 176.95 177.86 2buq n GLY 306 N 1.23 2.57 3.93 0.98 0.00 0.41 -4.73 105.19 109.58 2buq n GLY 306 Ca -0.05 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 2buq n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buq s ALA 307 N -2.80 3.47 0.55 4.61 0.00 -1.26 -4.62 121.76 121.71 2buq s ALA 307 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 2buq s ALA 307 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 2buq s ALA 307 CO 0.00 -0.62 1.14 0.71 0.00 0.00 0.00 175.76 177.00 2buq s TYR 308 N -2.82 2.63 0.62 0.00 1.51 -1.26 -1.50 117.35 116.53 2buq s TYR 308 Ca 0.51 1.54 -0.18 0.00 -1.01 0.00 0.00 57.07 57.93 2buq s TYR 308 Cb -0.10 -3.32 -0.02 0.00 -0.11 0.00 0.00 41.96 38.40 2buq s TYR 308 CO 0.43 -1.68 1.22 0.00 -1.11 0.00 0.00 175.55 174.40 2buq s ALA 309 N -1.74 2.46 0.36 3.71 0.00 -0.39 -4.87 121.76 121.30 2buq s ALA 309 Ca 0.73 1.00 -0.27 0.00 0.00 0.00 0.00 51.96 53.43 2buq s ALA 309 Cb -0.25 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 2buq s ALA 309 CO 0.28 -1.32 1.16 0.94 0.00 0.00 0.00 175.76 176.82 2buq n GLN 310 N -1.81 1.74 -2.19 0.00 7.27 -1.26 -4.81 117.38 116.32 2buq n GLN 310 Ca 0.14 0.61 -0.42 0.00 0.07 0.00 0.00 57.00 57.41 2buq n GLN 310 Cb 0.50 -2.17 -0.03 0.00 2.41 0.00 0.00 30.24 30.95 2buq n GLN 310 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2buq s ARG 311 N -1.90 4.36 -0.64 3.69 3.52 -1.26 -4.94 118.95 121.77 2buq s ARG 311 Ca 0.59 2.08 -0.24 0.00 -0.13 0.00 0.00 55.73 58.02 2buq s ARG 311 Cb -0.58 -3.21 0.05 0.00 -1.56 0.00 0.00 34.95 29.65 2buq s ARG 311 CO 0.60 -0.33 1.03 1.21 -0.81 0.00 0.00 175.30 177.00 2buq s ASN 312 N 0.61 6.23 0.58 -2.12 3.04 -1.26 -4.88 114.94 117.13 2buq s ASN 312 Ca 0.60 -0.67 0.31 0.00 0.04 0.00 0.00 52.86 53.14 2buq s ASN 312 Cb -0.37 -2.46 1.79 0.00 -1.54 0.00 0.00 41.25 38.68 2buq s ASN 312 CO 0.36 -1.46 2.21 0.71 -3.04 0.00 0.00 177.10 175.88 2buq h THR 313 N 6.00 0.45 0.00 -5.21 1.35 -1.94 -0.42 112.91 113.13 2buq h THR 313 Ca -0.28 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2buq h THR 313 Cb 1.07 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2buq h THR 313 CO 1.17 0.04 0.00 -0.62 -0.25 0.00 0.00 175.52 175.86 2buq n GLU 314 N -3.65 0.18 -0.09 4.72 1.02 -1.26 -2.66 120.64 118.91 2buq n GLU 314 Ca -0.03 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 2buq n GLU 314 Cb 0.13 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.32 2buq n GLU 314 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2buq n ASP 315 N -1.38 2.61 -4.36 1.62 8.00 -0.17 -4.70 116.55 118.17 2buq n ASP 315 Ca 0.08 -1.85 -0.19 0.00 0.71 0.00 0.00 54.79 53.55 2buq n ASP 315 Cb 0.22 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 2buq n ASP 315 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2buq s HIS 316 N -1.77 1.71 0.75 1.24 3.76 -1.09 -4.92 115.29 114.97 2buq s HIS 316 Ca 0.34 -0.72 -0.12 0.00 -0.15 0.00 0.00 55.06 54.41 2buq s HIS 316 Cb 0.20 -0.92 0.05 0.00 1.11 0.00 0.00 32.58 33.02 2buq s HIS 316 CO 0.30 0.21 1.11 -1.25 -0.85 0.00 0.00 174.74 174.26 2buq s PRO 317 N -3.73 2.30 0.67 8.40 0.04 -1.26 -4.45 135.00 136.97 2buq s PRO 317 Ca 0.26 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 2buq s PRO 317 Cb 0.03 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.70 2buq s PRO 317 CO 0.08 -1.62 1.01 -1.25 0.04 0.00 0.00 177.00 175.26 2buq s PRO 318 N -4.58 2.65 0.10 0.56 0.04 -1.26 -5.00 135.00 127.52 2buq s PRO 318 Ca 0.64 0.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 2buq s PRO 318 Cb -0.19 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 32.08 2buq s PRO 318 CO 0.51 -0.99 1.35 0.00 0.04 0.00 0.00 177.00 177.91 2buq h ALA 319 N -0.48 0.36 -2.38 8.56 0.00 -1.96 -3.41 119.26 119.95 2buq h ALA 319 Ca -0.45 -0.50 -0.66 0.00 0.00 0.00 0.00 54.91 53.30 2buq h ALA 319 Cb 1.28 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 2buq h ALA 319 CO 0.62 0.56 -0.05 -0.47 0.00 0.00 0.00 179.25 179.91 2buq s TYR 320 N -4.02 3.15 -0.38 0.00 5.04 -1.26 -4.73 117.35 115.16 2buq s TYR 320 Ca -0.11 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.55 2buq s TYR 320 Cb 0.08 -3.00 0.14 0.00 0.35 0.00 0.00 41.96 39.53 2buq s TYR 320 CO 0.87 -0.64 0.22 0.00 -1.34 0.00 0.00 175.55 174.66 2buq s ALA 321 N 2.43 1.28 0.53 3.97 0.00 -1.26 -5.03 121.76 123.67 2buq s ALA 321 Ca 0.18 -2.08 0.33 0.00 0.00 0.00 0.00 51.96 50.39 2buq s ALA 321 Cb -0.15 -1.68 1.49 0.00 0.00 0.00 0.00 23.12 22.77 2buq s ALA 321 CO 0.14 -2.09 1.85 -1.00 0.00 0.00 0.00 175.76 174.67 2buq h PRO 322 N 6.91 0.02 0.00 0.00 0.13 -1.95 0.74 132.00 137.86 2buq h PRO 322 Ca 0.04 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2buq h PRO 322 Cb 0.96 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2buq h PRO 322 CO 0.33 0.02 0.00 0.78 -0.23 0.00 0.00 178.00 178.89 2buq h GLY 323 N 0.02 0.00 -7.43 1.56 0.00 -1.95 -3.30 103.07 91.97 2buq h GLY 323 Ca 0.48 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 47.09 2buq h GLY 323 CO -0.02 0.00 -0.34 -0.47 0.00 0.00 0.00 176.54 175.71 2buq s TYR 324 N -3.60 3.48 0.30 5.60 5.04 0.25 -4.90 117.35 123.52 2buq s TYR 324 Ca 0.01 -2.13 0.01 0.00 -2.44 0.00 0.00 57.07 52.52 2buq s TYR 324 Cb 0.09 -3.45 0.55 0.00 0.35 0.00 0.00 41.96 39.51 2buq s TYR 324 CO 0.46 -0.96 1.88 0.87 -1.34 0.00 0.00 175.55 176.46 2buq h LYS 325 N 8.02 0.98 0.00 4.97 1.57 -1.78 -1.06 116.57 129.27 2buq h LYS 325 Ca -0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2buq h LYS 325 Cb 1.04 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2buq h LYS 325 CO 0.80 0.65 0.00 1.79 -0.57 0.00 0.00 179.45 182.11 2buq h THR 326 N 1.00 0.00 0.00 -0.16 1.35 -1.91 -1.91 112.91 111.28 2buq h THR 326 Ca 0.43 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 66.03 2buq h THR 326 Cb 0.32 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2buq h THR 326 CO -0.19 0.00 -0.11 0.77 -0.25 0.00 0.00 175.52 175.75 2buq h SER 327 N 0.00 0.00 -0.95 5.36 4.64 -1.47 -3.28 113.55 117.85 2buq h SER 327 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2buq h SER 327 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 2buq h SER 327 CO 0.00 0.11 0.62 0.58 -0.87 0.00 0.00 176.83 177.26 2buq h VAL 328 N 0.00 1.09 -0.03 0.95 2.07 -1.48 -2.56 116.25 116.29 2buq h VAL 328 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2buq h VAL 328 Cb 0.66 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2buq h VAL 328 CO 0.01 0.20 -0.02 0.18 0.02 0.00 0.00 177.57 177.96 2buq n LEU 329 N -4.49 2.86 -0.55 2.57 4.77 -1.24 -4.40 117.00 116.53 2buq n LEU 329 Ca 0.14 -0.99 0.06 0.00 -0.03 0.00 0.00 56.01 55.19 2buq n LEU 329 Cb 0.18 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.47 2buq n LEU 329 CO 0.33 0.48 0.43 0.54 -1.33 0.00 0.00 177.39 177.84 2buq n ARG 330 N 1.23 1.57 -4.99 3.23 1.74 -0.98 -4.98 116.66 113.47 2buq n ARG 330 Ca 0.13 -3.16 -0.28 0.00 -0.77 0.00 0.00 57.85 53.77 2buq n ARG 330 Cb 0.57 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 30.23 2buq n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2buq s SER 331 N -3.10 2.51 0.49 0.55 1.04 -1.11 -4.97 113.70 109.11 2buq s SER 331 Ca 0.37 -0.42 -0.24 0.00 0.48 0.00 0.00 55.95 56.15 2buq s SER 331 Cb 0.36 -0.80 -0.07 0.00 0.10 0.00 0.00 66.02 65.60 2buq s SER 331 CO -0.04 0.17 1.39 -2.84 0.98 0.00 0.00 173.24 172.89 2buq s PRO 332 N 0.08 3.46 0.03 4.02 0.02 -1.26 -4.94 135.00 136.41 2buq s PRO 332 Ca -0.07 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 63.24 2buq s PRO 332 Cb -0.13 -2.48 -0.28 0.00 0.02 0.00 0.00 34.50 31.62 2buq s PRO 332 CO 0.04 -0.97 0.96 0.87 -0.33 0.00 0.00 177.00 177.57 2buq h LYS 333 N 1.95 0.26 -7.10 5.54 1.57 -1.99 -3.46 116.57 113.33 2buq h LYS 333 Ca -0.51 -0.44 -0.46 0.00 -1.87 0.00 0.00 60.65 57.37 2buq h LYS 333 Cb 1.28 0.16 0.02 0.00 0.08 0.00 0.00 32.23 33.77 2buq h LYS 333 CO 0.59 1.15 0.37 -0.80 -0.57 0.00 0.00 179.45 180.19 2buq s ASN 334 N -7.03 6.49 0.60 0.86 0.01 -1.26 -5.04 114.94 109.57 2buq s ASN 334 Ca -0.07 1.79 -0.18 0.00 -0.71 0.00 0.00 52.86 53.68 2buq s ASN 334 Cb 0.07 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 2buq s ASN 334 CO 0.86 -0.67 1.17 0.00 -1.51 0.00 0.00 177.10 176.95 2buq s ALA 335 N -2.20 2.54 0.51 0.60 0.00 -1.26 -4.99 121.76 116.96 2buq s ALA 335 Ca 0.64 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 2buq s ALA 335 Cb -0.13 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 2buq s ALA 335 CO 0.22 -1.13 1.20 -0.51 0.00 0.00 0.00 175.76 175.54 2buq s LEU 336 N -4.19 3.88 -0.30 0.00 1.43 -1.26 -4.99 118.68 113.25 2buq s LEU 336 Ca 0.75 2.37 -0.14 0.00 -1.03 0.00 0.00 54.13 56.07 2buq s LEU 336 Cb -0.27 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 2buq s LEU 336 CO 0.33 -1.19 0.34 -0.63 0.23 0.00 0.00 176.35 175.43 2buq s ILE 337 N -1.55 5.19 0.16 -0.59 1.01 -1.26 -5.06 121.20 119.10 2buq s ILE 337 Ca 0.69 0.31 -0.27 0.00 0.00 0.00 0.00 60.65 61.38 2buq s ILE 337 Cb -0.30 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 2buq s ILE 337 CO 0.35 0.08 0.84 -0.44 0.00 0.00 0.00 174.94 175.77 2buq s SER 338 N 1.70 7.44 0.24 3.58 0.01 -1.26 -5.06 113.70 120.35 2buq s SER 338 Ca 0.13 1.71 0.10 0.00 1.31 0.00 0.00 55.95 59.20 2buq s SER 338 Cb -0.16 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 2buq s SER 338 CO 0.11 0.14 -0.17 0.27 0.41 0.00 0.00 173.24 174.00 2buq s ILE 339 N -0.87 2.08 0.23 1.44 -4.36 -1.26 -5.12 121.20 113.35 2buq s ILE 339 Ca 0.39 -2.30 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 2buq s ILE 339 Cb -0.24 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.20 2buq s ILE 339 CO 0.28 -0.49 0.92 0.00 0.24 0.00 0.00 174.94 175.89 2buq s ALA 340 N -2.75 3.35 0.48 2.27 0.00 -1.26 -5.01 121.76 118.83 2buq s ALA 340 Ca 0.26 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 2buq s ALA 340 Cb -0.02 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2buq s ALA 340 CO 0.11 0.22 1.04 -1.21 0.00 0.00 0.00 175.76 175.92 2buq s GLU 341 N -1.21 3.81 0.37 0.00 2.02 -1.26 -5.06 118.70 117.36 2buq s GLU 341 Ca 0.41 1.39 0.02 0.00 0.02 0.00 0.00 54.97 56.80 2buq s GLU 341 Cb -0.25 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 2buq s GLU 341 CO 0.31 -0.43 0.07 0.25 0.02 0.00 0.00 175.26 175.48 2buq n THR 342 N -0.90 0.00 -0.06 3.63 -2.24 -1.26 -4.87 114.28 108.58 2buq n THR 342 Ca 0.09 -1.95 0.17 0.00 -2.27 0.00 0.00 64.05 60.09 2buq n THR 342 Cb 0.52 0.57 0.60 0.00 -2.10 0.00 0.00 70.33 69.93 2buq n THR 342 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2buq h LEU 343 N 0.00 0.18 -1.13 3.22 3.38 -1.98 -1.70 115.31 117.27 2buq h LEU 343 Ca -0.29 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2buq h LEU 343 Cb 1.01 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2buq h LEU 343 CO 0.48 0.10 0.59 0.28 0.09 0.00 0.00 178.44 179.97 2buq h SER 344 N 0.19 0.96 1.01 -0.43 0.02 -1.95 -2.69 113.55 110.66 2buq h SER 344 Ca 0.29 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 2buq h SER 344 Cb 0.87 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2buq h SER 344 CO -0.05 0.65 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.91 2buq h GLU 345 N 1.11 0.00 -0.02 3.45 3.07 -1.72 -3.34 114.58 117.13 2buq h GLU 345 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2buq h GLU 345 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2buq h GLU 345 CO -0.12 0.34 -0.13 1.33 -1.40 0.00 0.00 179.01 179.03 2buq n VAL 346 N -2.99 0.00 -3.77 3.13 0.24 -1.00 -1.47 118.33 112.46 2buq n VAL 346 Ca -0.05 -0.26 -0.21 0.00 -2.04 0.00 0.00 64.34 61.79 2buq n VAL 346 Cb 0.78 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 2buq n VAL 346 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2buq s THR 347 N -2.20 3.50 0.05 3.34 -4.23 -1.03 -4.20 115.64 110.87 2buq s THR 347 Ca 0.30 -1.35 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 2buq s THR 347 Cb 0.20 -3.18 0.09 0.00 1.34 0.00 0.00 72.50 70.95 2buq s THR 347 CO 0.41 -0.16 0.79 0.00 -0.54 0.00 0.00 174.62 175.12 2buq s ALA 348 N -2.31 -1.75 0.93 3.99 0.00 -1.18 0.04 121.76 121.48 2buq s ALA 348 Ca 0.42 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 2buq s ALA 348 Cb -0.06 0.55 0.15 0.00 0.00 0.00 0.00 23.12 23.76 2buq s ALA 348 CO 0.27 -0.70 1.09 -1.25 0.00 0.00 0.00 175.76 175.17 2buq s PRO 349 N -3.27 0.99 -0.07 0.00 0.04 -1.26 -4.95 135.00 126.49 2buq s PRO 349 Ca 0.03 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.82 2buq s PRO 349 Cb -0.01 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 2buq s PRO 349 CO -0.10 -2.39 -0.24 -1.01 0.04 0.00 0.00 177.00 173.30 2buq s HIS 350 N -2.96 2.37 -0.02 0.56 3.76 -1.26 -4.92 115.29 112.82 2buq s HIS 350 Ca 0.64 -0.77 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 2buq s HIS 350 Cb -0.18 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 2buq s HIS 350 CO 0.57 -0.26 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.08 2buq s PHE 351 N -0.02 2.92 -0.09 1.40 0.40 -1.26 -5.11 117.98 116.22 2buq s PHE 351 Ca -0.07 -0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.11 2buq s PHE 351 Cb -0.14 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 2buq s PHE 351 CO 0.05 0.37 0.33 -1.54 0.70 0.00 0.00 175.22 175.13 2buq s SER 352 N -1.23 6.59 0.38 1.36 1.04 -1.26 -4.96 113.70 115.63 2buq s SER 352 Ca 0.16 0.70 0.09 0.00 0.48 0.00 0.00 55.95 57.38 2buq s SER 352 Cb -0.11 -2.20 0.86 0.00 0.10 0.00 0.00 66.02 64.66 2buq s SER 352 CO 0.06 0.21 1.94 0.00 0.98 0.00 0.00 173.24 176.43 2buq h ALA 353 N 5.74 1.85 -0.22 5.32 0.00 -1.99 -2.38 119.26 127.58 2buq h ALA 353 Ca -0.47 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.50 2buq h ALA 353 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2buq h ALA 353 CO 0.68 -0.01 0.28 -0.44 0.00 0.00 0.00 179.25 179.76 2buq h ASP 354 N 0.63 0.00 -0.07 0.00 3.32 -2.04 -1.94 116.42 116.33 2buq h ASP 354 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2buq h ASP 354 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2buq h ASP 354 CO -0.12 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.69 2buq n LYS 355 N -3.64 1.81 -3.21 3.56 5.02 -0.90 -4.90 118.16 115.91 2buq n LYS 355 Ca 0.03 -1.19 -0.39 0.00 -2.02 0.00 0.00 58.31 54.74 2buq n LYS 355 Cb 0.40 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 2buq n LYS 355 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2buq s PHE 356 N -1.93 3.80 0.67 2.13 0.08 -0.73 -5.07 117.98 116.93 2buq s PHE 356 Ca 0.35 1.33 -0.10 0.00 0.12 0.00 0.00 56.93 58.63 2buq s PHE 356 Cb 0.20 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2buq s PHE 356 CO 0.31 0.53 1.04 0.20 -0.10 0.00 0.00 175.22 177.21 2buq s GLY 357 N -0.95 1.62 0.49 4.36 0.00 -1.26 -4.97 107.32 106.61 2buq s GLY 357 Ca 0.31 -0.40 0.21 0.00 0.00 0.00 0.00 44.72 44.84 2buq s GLY 357 CO 0.20 -0.06 2.05 -0.56 0.00 0.00 0.00 173.10 174.73 2buq h PRO 358 N -0.51 0.00 -0.47 2.90 0.13 -1.99 -2.72 132.00 129.34 2buq h PRO 358 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2buq h PRO 358 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2buq h PRO 358 CO 0.63 0.14 0.00 1.63 -0.23 0.00 0.00 178.00 180.17 2buq n LYS 359 N -4.01 3.47 0.26 0.86 5.02 -1.26 -4.63 118.16 117.87 2buq n LYS 359 Ca -0.02 -2.75 0.10 0.00 -2.02 0.00 0.00 58.31 53.62 2buq n LYS 359 Cb 0.22 -1.80 0.70 0.00 -0.02 0.00 0.00 35.03 34.13 2buq n LYS 359 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2buq h ASP 360 N 3.02 0.00 -0.52 4.39 3.45 -1.77 -0.70 116.42 124.29 2buq h ASP 360 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2buq h ASP 360 Cb 1.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 2buq h ASP 360 CO 0.21 0.08 0.00 -0.46 -1.57 0.00 0.00 179.24 177.50 2buq n ASN 361 N -4.08 4.82 -3.88 6.45 6.94 -1.20 -1.25 115.26 123.05 2buq n ASN 361 Ca -0.03 -2.72 -0.29 0.00 -0.02 0.00 0.00 54.58 51.52 2buq n ASN 361 Cb 0.16 -0.59 -0.13 0.00 -2.36 0.00 0.00 39.78 36.86 2buq n ASN 361 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2buq s ASP 362 N -1.10 4.19 0.34 0.53 3.68 -0.27 -1.74 116.67 122.30 2buq s ASP 362 Ca 0.49 -3.08 0.26 0.00 2.13 0.00 0.00 52.55 52.35 2buq s ASP 362 Cb 0.35 -1.48 1.12 0.00 -1.45 0.00 0.00 42.92 41.46 2buq s ASP 362 CO 0.18 -0.21 1.78 -0.07 0.13 0.00 0.00 175.17 176.98 2buq h LEU 363 N 6.34 0.00 -0.27 -1.34 4.07 -1.10 0.12 115.31 123.12 2buq h LEU 363 Ca -0.02 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 2buq h LEU 363 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2buq h LEU 363 CO 0.64 0.00 -0.51 0.40 -1.08 0.00 0.00 178.44 177.89 2buq h ILE 364 N 0.00 1.28 0.00 1.22 2.04 -1.87 -3.39 117.51 116.79 2buq h ILE 364 Ca 0.00 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2buq h ILE 364 Cb 0.36 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2buq h ILE 364 CO 0.00 0.55 -1.45 0.18 0.00 0.00 0.00 178.15 177.43 2buq n LEU 365 N -4.07 0.17 0.00 1.44 4.77 -0.99 -4.39 117.00 113.93 2buq n LEU 365 Ca -0.05 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 55.86 2buq n LEU 365 Cb 0.61 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.93 2buq n LEU 365 CO 0.49 0.04 0.67 -0.46 -1.33 0.00 0.00 177.39 176.80 2buq n ASN 366 N -1.86 0.00 0.00 -1.43 0.23 0.38 -2.14 115.26 110.44 2buq n ASN 366 Ca -0.01 0.47 0.00 0.00 -0.53 0.00 0.00 54.58 54.51 2buq n ASN 366 Cb 0.35 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 2buq n ASN 366 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2buq n TYR 367 N -1.48 0.00 -2.34 -2.53 9.36 -1.26 -5.01 117.16 113.89 2buq n TYR 367 Ca 0.03 -0.16 -0.42 0.00 3.32 0.00 0.00 57.90 60.67 2buq n TYR 367 Cb 0.12 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.79 2buq n TYR 367 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2buq s ALA 368 N -0.32 3.46 -0.01 2.98 0.00 -0.91 -4.39 121.76 122.56 2buq s ALA 368 Ca 0.00 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 2buq s ALA 368 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2buq s ALA 368 CO 0.00 -0.44 -0.08 1.63 0.00 0.00 0.00 175.76 176.87 2buq n LYS 369 N 3.08 0.12 0.01 0.00 4.76 -1.26 -4.88 118.16 120.00 2buq n LYS 369 Ca 0.07 0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.66 2buq n LYS 369 Cb 0.45 -0.58 -0.10 0.00 -1.84 0.00 0.00 35.03 32.96 2buq n LYS 369 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2buq n ASP 370 N -3.25 0.41 -0.83 4.39 8.00 -1.26 -5.04 116.55 118.97 2buq n ASP 370 Ca -0.03 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2buq n ASP 370 Cb 0.12 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 2buq n ASP 370 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buq n GLY 371 N 1.32 1.10 3.88 0.44 0.00 -1.26 -5.15 105.19 105.51 2buq n GLY 371 Ca -0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2buq n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buq s LEU 372 N 0.00 3.92 0.71 0.99 1.43 -1.26 -4.72 118.68 119.74 2buq s LEU 372 Ca 0.00 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 53.95 2buq s LEU 372 Cb 0.00 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.40 2buq s LEU 372 CO 0.00 -0.32 1.11 -2.16 0.23 0.00 0.00 176.35 175.22 2buq s PRO 373 N -3.70 2.53 -0.02 1.29 0.04 -1.26 -4.88 135.00 129.01 2buq s PRO 373 Ca 0.49 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 2buq s PRO 373 Cb -0.10 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2buq s PRO 373 CO 0.30 -1.46 0.43 0.42 0.04 0.00 0.00 177.00 176.73 2buq s ILE 374 N -2.47 5.04 -5.00 0.56 1.01 -1.26 -4.99 121.20 114.08 2buq s ILE 374 Ca 0.66 0.88 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2buq s ILE 374 Cb -0.20 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2buq s ILE 374 CO 0.46 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.54 2buq n GLY 375 N 2.10 0.82 3.62 6.18 0.00 -1.26 -4.45 105.19 112.20 2buq n GLY 375 Ca -0.12 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2buq n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buq s GLU 376 N -1.56 4.00 -0.22 1.61 2.02 -1.26 -4.91 118.70 118.38 2buq s GLU 376 Ca 0.00 0.81 -0.29 0.00 0.02 0.00 0.00 54.97 55.51 2buq s GLU 376 Cb 0.00 -3.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 2buq s GLU 376 CO 0.00 -0.79 1.51 1.03 0.02 0.00 0.00 175.26 177.02 2buq s ARG 377 N 3.30 3.91 0.02 1.61 0.52 -1.26 -0.63 118.95 126.41 2buq s ARG 377 Ca 0.39 1.61 0.02 0.00 -0.52 0.00 0.00 55.73 57.22 2buq s ARG 377 Cb -0.13 -3.96 -0.01 0.00 0.52 0.00 0.00 34.95 31.36 2buq s ARG 377 CO 0.14 -1.15 -0.06 0.14 0.02 0.00 0.00 175.30 174.39 2buq s VAL 378 N 4.71 0.41 -0.11 3.52 -7.23 -0.48 -1.68 120.40 119.53 2buq s VAL 378 Ca 0.66 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 60.18 2buq s VAL 378 Cb -0.23 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 2buq s VAL 378 CO 0.26 -0.13 0.08 -0.63 -0.31 0.00 0.00 175.10 174.37 2buq s ILE 379 N -0.71 5.00 -0.08 -0.62 1.01 0.50 -0.93 121.20 125.37 2buq s ILE 379 Ca -0.04 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2buq s ILE 379 Cb -0.06 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2buq s ILE 379 CO 0.00 0.60 -0.21 -0.69 0.00 0.00 0.00 174.94 174.64 2buq s VAL 380 N -0.82 1.81 0.13 2.92 1.01 -0.14 -0.62 120.40 124.69 2buq s VAL 380 Ca 0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 2buq s VAL 380 Cb -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2buq s VAL 380 CO 0.03 0.51 0.22 -1.38 0.00 0.00 0.00 175.10 174.48 2buq s HIS 381 N 0.32 0.37 -2.36 5.22 -3.43 -0.54 -1.52 115.29 113.34 2buq s HIS 381 Ca -0.15 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.35 2buq s HIS 381 Cb -0.16 -0.11 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 2buq s HIS 381 CO 0.07 -0.63 0.00 0.41 -2.00 0.00 0.00 174.74 172.58 2buq n GLY 382 N -0.14 -1.13 3.24 -1.38 0.00 -0.92 -0.87 105.19 103.99 2buq n GLY 382 Ca -0.10 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 2buq n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2buq s TYR 383 N -3.00 1.78 -0.18 1.61 1.51 -1.25 -1.08 117.35 116.75 2buq s TYR 383 Ca 0.00 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 2buq s TYR 383 Cb 0.00 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 2buq s TYR 383 CO 0.00 0.07 -0.04 0.08 -1.11 0.00 0.00 175.55 174.55 2buq s VAL 384 N -0.76 3.72 0.21 0.71 1.01 0.71 -1.21 120.40 124.79 2buq s VAL 384 Ca 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2buq s VAL 384 Cb -0.09 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2buq s VAL 384 CO 0.01 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.65 2buq s ARG 385 N 0.73 1.25 0.56 2.72 3.03 -0.39 -1.63 118.95 125.24 2buq s ARG 385 Ca -0.02 -1.65 0.06 0.00 2.03 0.00 0.00 55.73 56.15 2buq s ARG 385 Cb -0.15 -0.14 0.07 0.00 -1.03 0.00 0.00 34.95 33.70 2buq s ARG 385 CO 0.02 -0.26 0.78 0.16 -1.13 0.00 0.00 175.30 174.87 2buq s ASP 386 N -3.23 5.11 0.66 -2.89 3.84 0.22 -0.72 116.67 119.65 2buq s ASP 386 Ca 0.33 -0.51 0.43 0.00 -0.00 0.00 0.00 52.55 52.80 2buq s ASP 386 Cb 0.07 -0.18 2.34 0.00 -1.38 0.00 0.00 42.92 43.77 2buq s ASP 386 CO 0.10 -1.28 2.35 0.06 -0.00 0.00 0.00 175.17 176.40 2buq h GLN 387 N 0.13 0.00 -0.52 2.11 3.07 -1.16 0.16 115.11 118.89 2buq h GLN 387 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 2buq h GLN 387 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2buq h GLN 387 CO 0.43 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.54 2buq n PHE 388 N -3.15 0.74 -0.84 0.06 3.01 -1.26 -4.93 117.46 111.09 2buq n PHE 388 Ca -0.03 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.08 2buq n PHE 388 Cb 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 2buq n PHE 388 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2buq n GLY 389 N 1.18 0.69 3.81 1.37 0.00 0.55 -5.05 105.19 107.74 2buq n GLY 389 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2buq n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buq s ARG 390 N -0.16 4.35 0.50 1.61 0.52 -1.25 -4.74 118.95 119.78 2buq s ARG 390 Ca 0.00 1.02 -0.22 0.00 -0.52 0.00 0.00 55.73 56.01 2buq s ARG 390 Cb 0.00 -2.81 -0.06 0.00 0.52 0.00 0.00 34.95 32.60 2buq s ARG 390 CO 0.00 0.33 1.22 -1.25 0.02 0.00 0.00 175.30 175.62 2buq s PRO 391 N -2.09 3.49 -0.41 3.54 0.04 -1.26 -0.61 135.00 137.69 2buq s PRO 391 Ca 0.47 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 2buq s PRO 391 Cb -0.17 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.11 2buq s PRO 391 CO 0.21 -0.81 0.28 0.08 0.04 0.00 0.00 177.00 176.80 2buq s VAL 392 N -1.49 4.88 -0.03 -0.36 1.01 -0.64 -4.79 120.40 118.97 2buq s VAL 392 Ca 0.68 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 2buq s VAL 392 Cb -0.32 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2buq s VAL 392 CO 0.38 -0.35 0.43 -0.54 0.00 0.00 0.00 175.10 175.02 2buq s LYS 393 N 1.60 4.06 -1.45 2.72 1.02 -1.26 -3.95 119.74 122.48 2buq s LYS 393 Ca 0.03 0.43 -0.10 0.00 0.02 0.00 0.00 55.97 56.35 2buq s LYS 393 Cb -0.20 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2buq s LYS 393 CO 0.07 0.53 1.00 0.09 -0.92 0.00 0.00 175.35 176.13 2buq n ASN 394 N 2.35 -5.67 -4.84 2.83 3.02 -0.68 -4.93 115.26 107.35 2buq n ASN 394 Ca -0.12 -0.59 -0.34 0.00 -0.03 0.00 0.00 54.58 53.51 2buq n ASN 394 Cb 0.52 -4.50 -0.06 0.00 -0.61 0.00 0.00 39.78 35.13 2buq n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2buq s ALA 395 N -3.27 3.38 -0.22 5.41 0.00 -1.26 -4.72 121.76 121.08 2buq s ALA 395 Ca 0.57 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 2buq s ALA 395 Cb -0.27 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 2buq s ALA 395 CO 0.71 0.35 0.66 -1.17 0.00 0.00 0.00 175.76 176.31 2buq s LEU 396 N -2.58 4.12 -0.19 0.00 2.96 0.59 -1.57 118.68 122.01 2buq s LEU 396 Ca 0.49 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 2buq s LEU 396 Cb -0.13 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.64 2buq s LEU 396 CO 0.19 -0.33 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.08 2buq s VAL 397 N 2.18 2.74 -0.02 1.68 1.01 0.08 -1.58 120.40 126.49 2buq s VAL 397 Ca 0.29 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2buq s VAL 397 Cb -0.16 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2buq s VAL 397 CO 0.10 0.48 -0.22 -1.61 0.00 0.00 0.00 175.10 173.85 2buq s GLU 398 N 1.30 2.21 0.13 2.72 2.02 -0.58 -1.00 118.70 125.50 2buq s GLU 398 Ca 0.04 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.19 2buq s GLU 398 Cb -0.14 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 2buq s GLU 398 CO -0.07 0.58 -0.09 0.14 0.02 0.00 0.00 175.26 175.84 2buq s VAL 399 N -0.68 1.00 0.05 2.63 -7.23 -0.31 -1.04 120.40 114.83 2buq s VAL 399 Ca 0.11 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.03 2buq s VAL 399 Cb -0.10 -1.78 0.06 0.00 0.56 0.00 0.00 36.38 35.11 2buq s VAL 399 CO -0.00 -0.79 0.54 -1.66 -0.31 0.00 0.00 175.10 172.88 2buq s TRP 400 N -3.42 -0.46 0.13 2.82 -2.14 -0.77 -2.23 118.94 112.87 2buq s TRP 400 Ca 0.15 0.50 -0.25 0.00 2.66 0.00 0.00 56.10 59.16 2buq s TRP 400 Cb 0.03 0.37 0.08 0.00 -3.10 0.00 0.00 33.47 30.86 2buq s TRP 400 CO -0.01 -0.67 1.04 1.14 -2.66 0.00 0.00 176.95 175.79 2buq s GLN 401 N -2.52 1.08 0.78 3.25 -2.07 -0.39 -1.09 119.66 118.69 2buq s GLN 401 Ca -0.05 -0.63 -0.09 0.00 -1.82 0.00 0.00 55.36 52.77 2buq s GLN 401 Cb -0.01 0.34 0.09 0.00 -1.09 0.00 0.00 33.01 32.35 2buq s GLN 401 CO -0.02 -0.50 1.11 0.00 -1.32 0.00 0.00 175.29 174.56 2buq s ALA 402 N -2.81 2.89 0.64 2.60 0.00 -1.26 -4.63 121.76 119.18 2buq s ALA 402 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2buq s ALA 402 Cb -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.40 2buq s ALA 402 CO 0.02 -1.59 0.00 0.27 0.00 0.00 0.00 175.76 174.46 2buq n ASN 403 N -3.17 0.00 0.31 0.00 2.04 0.95 -4.50 115.26 110.89 2buq n ASN 403 Ca 0.09 -0.75 0.19 0.00 -0.44 0.00 0.00 54.58 53.67 2buq n ASN 403 Cb 0.61 0.00 1.01 0.00 -2.53 0.00 0.00 39.78 38.87 2buq n ASN 403 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2buq h ALA 404 N -1.22 1.15 -0.00 -2.53 0.00 -1.78 -1.09 119.26 113.79 2buq h ALA 404 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2buq h ALA 404 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2buq h ALA 404 CO 0.00 0.02 -0.24 0.43 0.00 0.00 0.00 179.25 179.47 2buq n SER 405 N -3.33 0.49 0.00 0.00 7.64 -1.26 -3.46 113.62 113.70 2buq n SER 405 Ca -0.02 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.53 2buq n SER 405 Cb 0.13 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2buq n SER 405 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2buq n GLY 406 N 1.40 0.54 3.56 0.23 0.00 -0.51 -4.71 105.19 105.69 2buq n GLY 406 Ca 0.10 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2buq n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2buq s ARG 407 N -1.91 3.72 0.08 1.61 6.06 -1.26 -4.69 118.95 122.56 2buq s ARG 407 Ca 0.00 -0.45 -0.12 0.00 -2.50 0.00 0.00 55.73 52.66 2buq s ARG 407 Cb 0.00 -3.00 -0.06 0.00 0.06 0.00 0.00 34.95 31.95 2buq s ARG 407 CO 0.00 0.29 0.44 0.71 -2.50 0.00 0.00 175.30 174.24 2buq s TYR 408 N 0.26 3.62 -1.03 5.12 2.02 -1.26 -0.04 117.35 126.05 2buq s TYR 408 Ca -0.01 0.91 -0.17 0.00 -0.37 0.00 0.00 57.07 57.44 2buq s TYR 408 Cb -0.13 -2.24 0.15 0.00 -0.40 0.00 0.00 41.96 39.33 2buq s TYR 408 CO 0.02 0.52 1.22 0.50 -1.57 0.00 0.00 175.55 176.24 2buq s ARG 409 N -1.75 3.79 -0.14 -0.62 3.52 -1.26 -4.81 118.95 117.66 2buq s ARG 409 Ca 0.32 -2.11 -0.13 0.00 -0.13 0.00 0.00 55.73 53.69 2buq s ARG 409 Cb -0.15 -4.94 0.04 0.00 -1.56 0.00 0.00 34.95 28.34 2buq s ARG 409 CO 0.17 -1.74 0.38 -1.58 -0.81 0.00 0.00 175.30 171.72 2buq s HIS 410 N 2.11 -0.43 0.36 5.12 2.46 -1.26 -5.05 115.29 118.59 2buq s HIS 410 Ca 0.36 1.04 0.09 0.00 0.47 0.00 0.00 55.06 57.01 2buq s HIS 410 Cb -0.04 0.15 0.82 0.00 -0.13 0.00 0.00 32.58 33.37 2buq s HIS 410 CO -0.06 -0.21 1.89 -1.35 -2.47 0.00 0.00 174.74 172.53 2buq h PRO 411 N 5.73 0.67 -0.27 2.88 0.11 -2.07 -2.16 132.00 136.89 2buq h PRO 411 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2buq h PRO 411 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2buq h PRO 411 CO 0.27 0.44 0.00 0.09 -0.21 0.00 0.00 178.00 178.60 2buq n ASN 412 N -4.54 0.89 -4.37 -2.05 5.03 -1.26 -4.78 115.26 104.18 2buq n ASN 412 Ca 0.16 -2.03 -0.39 0.00 0.87 0.00 0.00 54.58 53.19 2buq n ASN 412 Cb 0.43 -0.17 -0.12 0.00 -1.02 0.00 0.00 39.78 38.91 2buq n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2buq s ASP 413 N -0.85 5.51 -0.13 6.41 3.68 -0.81 -4.95 116.67 125.53 2buq s ASP 413 Ca 0.09 -0.85 0.15 0.00 2.13 0.00 0.00 52.55 54.07 2buq s ASP 413 Cb 0.05 -1.97 0.53 0.00 -1.45 0.00 0.00 42.92 40.08 2buq s ASP 413 CO 0.05 -0.29 1.44 0.00 0.13 0.00 0.00 175.17 176.50 2buq n GLN 414 N 4.94 3.21 -1.82 4.34 1.13 -1.26 -4.87 117.38 123.04 2buq n GLN 414 Ca -0.13 -2.68 -0.38 0.00 -1.94 0.00 0.00 57.00 51.87 2buq n GLN 414 Cb 0.47 -1.75 0.04 0.00 0.11 0.00 0.00 30.24 29.11 2buq n GLN 414 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2buq s TYR 415 N -2.22 2.29 -0.73 1.08 5.04 -1.26 -4.89 117.35 116.66 2buq s TYR 415 Ca 0.40 1.41 0.22 0.00 -2.44 0.00 0.00 57.07 56.66 2buq s TYR 415 Cb 0.29 -3.74 0.88 0.00 0.35 0.00 0.00 41.96 39.74 2buq s TYR 415 CO 0.13 -2.78 1.68 1.51 -1.34 0.00 0.00 175.55 174.75 2buq n ILE 416 N -1.17 0.74 -1.78 3.14 3.06 -1.26 -4.79 119.36 117.30 2buq n ILE 416 Ca 0.11 0.12 -0.41 0.00 -2.50 0.00 0.00 62.75 60.07 2buq n ILE 416 Cb 0.46 -0.94 -0.00 0.00 0.54 0.00 0.00 39.64 39.69 2buq n ILE 416 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2buq n GLY 417 N 0.39 1.24 3.77 4.50 0.00 -1.26 -4.88 105.19 108.95 2buq n GLY 417 Ca 0.04 0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 2buq n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buq s ALA 418 N -1.00 3.37 0.55 4.61 0.00 -1.26 -4.74 121.76 123.29 2buq s ALA 418 Ca 0.54 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.67 2buq s ALA 418 Cb -0.47 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 2buq s ALA 418 CO 0.62 -0.88 1.03 -1.64 0.00 0.00 0.00 175.76 174.90 2buq s MET 419 N -2.14 3.58 -0.26 0.00 -1.94 -1.26 -4.56 119.30 112.72 2buq s MET 419 Ca 0.55 1.15 0.01 0.00 -1.71 0.00 0.00 55.69 55.69 2buq s MET 419 Cb -0.41 -2.07 0.04 0.00 2.01 0.00 0.00 34.83 34.41 2buq s MET 419 CO 0.53 -0.59 -0.09 0.34 -0.01 0.00 0.00 175.02 175.20 2buq s ASP 420 N -2.75 4.34 0.21 3.03 -1.08 -1.26 -4.98 116.67 114.18 2buq s ASP 420 Ca 0.63 -1.15 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 2buq s ASP 420 Cb -0.14 -1.60 0.83 0.00 -1.46 0.00 0.00 42.92 40.55 2buq s ASP 420 CO 0.33 -0.17 1.50 -0.81 0.52 0.00 0.00 175.17 176.54 2buq n PRO 421 N 4.55 0.11 -0.37 4.34 -0.04 -1.26 -1.99 135.00 140.33 2buq n PRO 421 Ca -0.15 0.55 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2buq n PRO 421 Cb 0.44 -1.81 0.25 0.00 -0.04 0.00 0.00 33.50 32.35 2buq n PRO 421 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2buq n ASN 422 N -2.03 3.76 -4.14 3.54 5.03 -1.26 -4.68 115.26 115.49 2buq n ASN 422 Ca -0.00 -2.30 -0.27 0.00 0.87 0.00 0.00 54.58 52.88 2buq n ASN 422 Cb 0.06 -0.42 -0.16 0.00 -1.02 0.00 0.00 39.78 38.24 2buq n ASN 422 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2buq s PHE 423 N -1.55 1.78 -0.22 3.10 2.19 -0.84 -3.34 117.98 119.10 2buq s PHE 423 Ca 0.38 -0.53 -0.12 0.00 0.33 0.00 0.00 56.93 56.99 2buq s PHE 423 Cb 0.24 -1.20 -0.09 0.00 -1.31 0.00 0.00 43.02 40.66 2buq s PHE 423 CO 0.20 -0.19 -0.30 0.41 1.83 0.00 0.00 175.22 177.17 2buq n GLY 424 N 3.19 -0.39 0.00 13.12 0.00 -1.26 -4.79 105.19 115.06 2buq n GLY 424 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2buq n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2buq n GLY 425 N 1.58 1.00 3.04 -0.02 0.00 -1.26 -4.61 105.19 104.92 2buq n GLY 425 Ca -0.40 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2buq n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buq s GLY 427 N -1.63 0.16 0.20 0.00 0.00 -0.95 -4.78 107.32 100.32 2buq s GLY 427 Ca -0.11 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 43.86 2buq s GLY 427 CO -0.00 -0.27 0.67 1.09 0.00 0.00 0.00 173.10 174.58 2buq s ARG 428 N -3.76 1.45 0.07 2.90 1.70 -0.38 -1.16 118.95 119.76 2buq s ARG 428 Ca 0.15 -0.66 -0.27 0.00 -0.47 0.00 0.00 55.73 54.47 2buq s ARG 428 Cb -0.04 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.01 2buq s ARG 428 CO 0.08 -0.65 1.04 0.00 -1.08 0.00 0.00 175.30 174.70 2buq s MET 429 N -3.77 0.90 -0.07 3.89 0.23 -0.17 -3.22 119.30 117.09 2buq s MET 429 Ca 0.05 -0.47 0.01 0.00 -1.03 0.00 0.00 55.69 54.25 2buq s MET 429 Cb -0.03 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2buq s MET 429 CO -0.05 -0.41 -0.09 -0.51 -2.03 0.00 0.00 175.02 171.93 2buq s LEU 430 N -2.84 3.01 0.63 0.18 1.43 -1.26 -0.74 118.68 119.09 2buq s LEU 430 Ca 0.11 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 2buq s LEU 430 Cb 0.00 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2buq s LEU 430 CO -0.01 0.34 1.11 0.42 0.23 0.00 0.00 176.35 178.44 2buq s THR 431 N -0.68 3.28 0.00 5.49 -4.23 -0.61 -4.88 115.64 114.02 2buq s THR 431 Ca 0.10 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2buq s THR 431 Cb -0.11 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2buq s THR 431 CO 0.01 -0.33 0.00 -0.90 -0.54 0.00 0.00 174.62 172.86 2buq n ASP 432 N -2.14 0.00 0.14 3.99 5.68 -0.64 -1.68 116.55 121.89 2buq n ASP 432 Ca 0.10 -0.80 0.12 0.00 -0.50 0.00 0.00 54.79 53.72 2buq n ASP 432 Cb 0.52 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.02 2buq n ASP 432 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2buq n ASP 433 N -2.39 0.68 -1.04 -1.12 8.00 -1.26 -1.27 116.55 118.15 2buq n ASP 433 Ca 0.00 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.31 2buq n ASP 433 Cb 0.00 -0.82 0.24 0.00 -0.02 0.00 0.00 41.12 40.52 2buq n ASP 433 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2buq n ASN 434 N -2.27 3.11 -0.00 -2.24 3.02 -1.26 -4.79 115.26 110.83 2buq n ASN 434 Ca 0.01 -1.94 -0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2buq n ASN 434 Cb 0.20 -0.21 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2buq n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buq n GLY 435 N 1.43 0.49 3.78 7.41 0.00 -0.40 -4.73 105.19 113.18 2buq n GLY 435 Ca 0.19 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2buq n GLY 435 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2buq s TYR 436 N -2.00 3.78 0.06 1.61 5.04 -1.26 -0.21 117.35 124.38 2buq s TYR 436 Ca 0.00 1.76 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 2buq s TYR 436 Cb 0.00 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 39.39 2buq s TYR 436 CO 0.00 0.31 -0.06 1.52 -1.34 0.00 0.00 175.55 175.98 2buq s TYR 437 N -1.46 0.69 -0.16 4.97 -0.85 -0.24 -1.63 117.35 118.68 2buq s TYR 437 Ca 0.46 -0.75 -0.11 0.00 -0.52 0.00 0.00 57.07 56.15 2buq s TYR 437 Cb -0.20 -0.42 0.05 0.00 0.38 0.00 0.00 41.96 41.76 2buq s TYR 437 CO 0.26 -0.16 0.39 0.54 -1.52 0.00 0.00 175.55 175.05 2buq s VAL 438 N -2.64 -0.02 0.16 -3.49 0.11 -1.26 -2.16 120.40 111.09 2buq s VAL 438 Ca 0.00 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2buq s VAL 438 Cb -0.01 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2buq s VAL 438 CO -0.03 0.02 0.11 0.72 -3.33 0.00 0.00 175.10 172.59 2buq s PHE 439 N 0.91 0.89 0.06 1.54 -0.71 -0.58 -4.94 117.98 115.16 2buq s PHE 439 Ca -0.06 -1.22 0.06 0.00 -1.04 0.00 0.00 56.93 54.67 2buq s PHE 439 Cb -0.06 -0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.27 2buq s PHE 439 CO -0.07 -0.58 -0.16 0.50 -1.34 0.00 0.00 175.22 173.56 2buq s ARG 440 N -4.07 1.00 0.17 1.99 3.52 -0.71 -0.97 118.95 119.88 2buq s ARG 440 Ca 0.28 -0.92 -0.08 0.00 -0.13 0.00 0.00 55.73 54.88 2buq s ARG 440 Cb 0.07 -1.08 0.03 0.00 -1.56 0.00 0.00 34.95 32.41 2buq s ARG 440 CO 0.05 0.26 0.39 -2.37 -0.81 0.00 0.00 175.30 172.82 2buq n THR 441 N 1.56 0.00 -4.00 4.11 5.66 -0.10 -0.61 114.28 120.89 2buq n THR 441 Ca -0.19 -0.42 -0.35 0.00 -3.05 0.00 0.00 64.05 60.04 2buq n THR 441 Cb 0.54 0.44 -0.09 0.00 -1.55 0.00 0.00 70.33 69.67 2buq n THR 441 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2buq s ILE 442 N -2.53 4.83 0.14 1.09 -1.09 -1.26 -1.39 121.20 120.99 2buq s ILE 442 Ca 0.08 -0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 58.16 2buq s ILE 442 Cb -0.02 -3.17 -0.10 0.00 -1.58 0.00 0.00 42.46 37.59 2buq s ILE 442 CO 0.05 0.47 1.72 -0.75 -1.23 0.00 0.00 174.94 175.20 2buq s LYS 443 N 0.25 4.16 0.50 2.79 2.20 0.20 -4.85 119.74 124.99 2buq s LYS 443 Ca 0.04 2.50 -0.20 0.00 -0.36 0.00 0.00 55.97 57.96 2buq s LYS 443 Cb -0.12 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 2buq s LYS 443 CO 0.00 -0.75 1.06 -1.25 -0.36 0.00 0.00 175.35 174.04 2buq s PRO 444 N 2.02 3.69 0.49 4.03 0.04 -1.26 -4.29 135.00 139.71 2buq s PRO 444 Ca 0.76 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 2buq s PRO 444 Cb -0.45 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2buq s PRO 444 CO 0.33 -0.53 0.78 0.20 0.04 0.00 0.00 177.00 177.82 2buq s GLY 445 N -1.99 1.50 0.83 0.56 0.00 -0.61 -4.65 107.32 102.96 2buq s GLY 445 Ca 0.68 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.71 2buq s GLY 445 CO 0.22 -0.39 1.20 -4.14 0.00 0.00 0.00 173.10 169.99 2buq s PRO 446 N -4.74 1.49 -0.13 2.90 0.02 -1.26 -4.06 135.00 129.22 2buq s PRO 446 Ca 0.48 1.73 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 2buq s PRO 446 Cb -0.10 -1.76 0.03 0.00 0.02 0.00 0.00 34.50 32.69 2buq s PRO 446 CO 0.44 -2.32 -0.06 -0.47 -0.33 0.00 0.00 177.00 174.27 2buq s TYR 447 N -2.23 1.47 0.38 6.54 5.04 -1.04 -4.35 117.35 123.16 2buq s TYR 447 Ca 0.72 -0.82 -0.24 0.00 -2.44 0.00 0.00 57.07 54.30 2buq s TYR 447 Cb -0.28 -1.22 -0.10 0.00 0.35 0.00 0.00 41.96 40.72 2buq s TYR 447 CO 0.52 -0.54 0.99 -1.25 -1.34 0.00 0.00 175.55 173.93 2buq s PRO 448 N 1.71 4.34 0.19 4.97 0.04 -1.26 0.11 135.00 145.10 2buq s PRO 448 Ca 0.03 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 2buq s PRO 448 Cb -0.14 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 31.86 2buq s PRO 448 CO -0.08 0.05 0.48 1.67 0.04 0.00 0.00 177.00 179.16 2buq s TRP 449 N -1.76 -0.03 -0.72 0.56 1.48 -0.27 -4.92 118.94 113.28 2buq s TRP 449 Ca 0.56 -0.32 -0.16 0.00 -1.06 0.00 0.00 56.10 55.12 2buq s TRP 449 Cb -0.18 0.31 0.16 0.00 -1.16 0.00 0.00 33.47 32.60 2buq s TRP 449 CO 0.23 -0.87 0.75 0.50 -4.06 0.00 0.00 176.95 173.50 2buq s ARG 450 N -3.89 3.32 0.00 3.25 3.52 -1.26 -3.35 118.95 120.55 2buq s ARG 450 Ca 0.10 -1.89 0.00 0.00 -0.13 0.00 0.00 55.73 53.82 2buq s ARG 450 Cb -0.00 -4.43 0.00 0.00 -1.56 0.00 0.00 34.95 28.96 2buq s ARG 450 CO -0.03 -1.44 0.00 -1.71 -0.81 0.00 0.00 175.30 171.31 2buq n ASN 451 N 5.28 0.00 -4.92 -2.12 5.15 -1.26 -4.98 115.26 112.41 2buq n ASN 451 Ca 0.03 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.75 2buq n ASN 451 Cb 0.45 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.72 2buq n ASN 451 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2buq s ARG 452 N 0.00 2.98 0.35 1.20 0.52 -1.26 -4.97 118.95 117.77 2buq s ARG 452 Ca 0.00 -0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 2buq s ARG 452 Cb 0.00 -2.32 0.66 0.00 0.52 0.00 0.00 34.95 33.80 2buq s ARG 452 CO 0.00 -0.60 2.01 0.97 0.02 0.00 0.00 175.30 177.70 2buq h ILE 453 N -0.06 1.15 -1.42 1.52 6.09 -1.94 -3.00 117.51 119.85 2buq h ILE 453 Ca -0.46 -0.29 -0.67 0.00 -1.37 0.00 0.00 64.86 62.08 2buq h ILE 453 Cb 1.25 0.24 -0.34 0.00 0.47 0.00 0.00 36.82 38.45 2buq h ILE 453 CO 0.60 0.15 0.30 -3.20 -3.07 0.00 0.00 178.15 172.94 2buq n ASN 454 N -4.45 6.52 -4.82 2.19 2.85 -1.26 -4.73 115.26 111.57 2buq n ASN 454 Ca 0.07 -3.79 -0.37 0.00 -0.11 0.00 0.00 54.58 50.39 2buq n ASN 454 Cb 0.06 -0.79 -0.06 0.00 1.24 0.00 0.00 39.78 40.23 2buq n ASN 454 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2buq s GLU 455 N -3.81 4.21 -0.04 1.20 2.56 -1.13 -5.00 118.70 116.68 2buq s GLU 455 Ca 0.54 0.78 -0.00 0.00 0.00 0.00 0.00 54.97 56.29 2buq s GLU 455 Cb 0.44 -2.99 0.03 0.00 2.00 0.00 0.00 34.13 33.62 2buq s GLU 455 CO -0.18 0.47 0.02 -1.58 -0.56 0.00 0.00 175.26 173.42 2buq s TRP 456 N -1.41 0.30 0.36 5.30 0.52 -1.26 -1.11 118.94 121.64 2buq s TRP 456 Ca 0.39 0.04 -0.25 0.00 0.02 0.00 0.00 56.10 56.29 2buq s TRP 456 Cb -0.17 -0.48 -0.09 0.00 -1.15 0.00 0.00 33.47 31.57 2buq s TRP 456 CO 0.21 -0.17 1.01 1.03 0.02 0.00 0.00 176.95 179.04 2buq s ARG 457 N 1.45 4.37 0.94 4.98 1.81 0.12 -4.77 118.95 127.84 2buq s ARG 457 Ca -0.04 1.45 -0.12 0.00 -1.72 0.00 0.00 55.73 55.30 2buq s ARG 457 Cb -0.13 -2.68 0.15 0.00 -0.45 0.00 0.00 34.95 31.84 2buq s ARG 457 CO -0.03 0.06 1.09 -2.14 -0.68 0.00 0.00 175.30 173.60 2buq s PRO 458 N -2.26 0.93 0.33 3.54 0.02 -1.26 -2.49 135.00 133.81 2buq s PRO 458 Ca 0.54 0.72 -0.29 0.00 0.02 0.00 0.00 61.00 61.98 2buq s PRO 458 Cb -0.21 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 2buq s PRO 458 CO 0.27 -2.44 1.56 0.00 -0.33 0.00 0.00 177.00 176.06 2buq s ALA 459 N -2.94 3.69 0.11 -1.55 0.00 -1.26 -4.61 121.76 115.20 2buq s ALA 459 Ca 0.64 1.60 -0.20 0.00 0.00 0.00 0.00 51.96 54.00 2buq s ALA 459 Cb -0.18 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.34 2buq s ALA 459 CO 0.57 -1.04 0.48 -3.38 0.00 0.00 0.00 175.76 172.40 2buq s HIS 460 N -0.45 -0.35 -0.09 0.00 -3.43 -1.26 -4.19 115.29 105.52 2buq s HIS 460 Ca 0.59 0.17 0.03 0.00 -0.80 0.00 0.00 55.06 55.06 2buq s HIS 460 Cb -0.48 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 2buq s HIS 460 CO 0.55 -0.72 -0.21 0.42 -2.00 0.00 0.00 174.74 172.78 2buq s ILE 461 N -3.36 1.84 0.24 -5.38 1.01 -0.74 -4.62 121.20 110.19 2buq s ILE 461 Ca -0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 2buq s ILE 461 Cb 0.00 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.78 2buq s ILE 461 CO -0.09 0.51 0.79 -1.00 0.00 0.00 0.00 174.94 175.15 2buq s HIS 462 N 0.45 3.70 0.05 3.97 3.76 -0.25 -1.27 115.29 125.71 2buq s HIS 462 Ca -0.17 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 56.20 2buq s HIS 462 Cb -0.17 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.79 2buq s HIS 462 CO 0.07 0.33 0.14 -0.59 -0.85 0.00 0.00 174.74 173.85 2buq s PHE 463 N -1.49 0.17 -0.01 1.40 -0.12 -0.47 -1.84 117.98 115.63 2buq s PHE 463 Ca 0.44 -0.51 -0.02 0.00 -0.05 0.00 0.00 56.93 56.79 2buq s PHE 463 Cb -0.18 -0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 42.10 2buq s PHE 463 CO 0.23 -0.44 0.04 0.45 -0.05 0.00 0.00 175.22 175.44 2buq s SER 464 N -2.40 0.01 -0.04 1.98 0.15 -0.20 -0.99 113.70 112.21 2buq s SER 464 Ca -0.01 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.63 2buq s SER 464 Cb 0.01 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2buq s SER 464 CO -0.07 -0.09 -0.12 -0.76 1.20 0.00 0.00 173.24 173.40 2buq s LEU 465 N -0.35 1.79 -0.18 3.45 1.02 -0.29 -1.53 118.68 122.58 2buq s LEU 465 Ca -0.04 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 53.87 2buq s LEU 465 Cb -0.03 -0.71 0.03 0.00 0.02 0.00 0.00 46.19 45.51 2buq s LEU 465 CO -0.00 0.08 -0.12 -0.63 0.02 0.00 0.00 176.35 175.70 2buq s ILE 466 N 0.24 1.65 0.00 -0.59 1.01 -0.61 -2.98 121.20 119.92 2buq s ILE 466 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2buq s ILE 466 Cb -0.11 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2buq s ILE 466 CO 0.01 0.30 0.00 0.00 0.00 0.00 0.00 174.94 175.26 2buq n ALA 467 N 4.71 0.00 0.02 9.38 0.00 -1.26 -0.30 120.51 133.06 2buq n ALA 467 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2buq n ALA 467 Cb 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 2buq n ALA 467 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2buq h ASP 468 N 0.00 0.08 -4.29 0.00 5.19 -1.92 -3.43 116.42 112.05 2buq h ASP 468 Ca 0.00 -0.13 -0.54 0.00 -0.62 0.00 0.00 57.03 55.74 2buq h ASP 468 Cb 0.00 -0.03 -0.25 0.00 0.18 0.00 0.00 39.33 39.23 2buq h ASP 468 CO 0.00 1.11 -0.83 -0.83 -3.12 0.00 0.00 179.24 175.57 2buq s GLY 469 N -4.99 1.03 0.38 2.75 0.00 -1.26 -3.09 107.32 102.15 2buq s GLY 469 Ca -0.04 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.74 2buq s GLY 469 CO 0.83 -0.94 1.99 -0.25 0.00 0.00 0.00 173.10 174.73 2buq h TRP 470 N 4.88 0.53 -0.02 1.90 -0.00 0.09 -0.21 115.95 123.13 2buq h TRP 470 Ca -0.41 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 58.47 2buq h TRP 470 Cb 1.17 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 30.15 2buq h TRP 470 CO 0.51 0.41 0.04 0.00 -0.00 0.00 0.00 178.44 179.40 2buq h ALA 471 N 1.65 1.31 -0.00 2.65 0.00 -1.53 -1.47 119.26 121.87 2buq h ALA 471 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2buq h ALA 471 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2buq h ALA 471 CO -0.02 -0.06 -0.07 1.04 0.00 0.00 0.00 179.25 180.14 2buq n GLN 472 N -3.44 0.49 -1.64 0.00 6.02 -0.09 -4.91 117.38 113.81 2buq n GLN 472 Ca -0.02 -0.10 -0.49 0.00 -0.01 0.00 0.00 57.00 56.37 2buq n GLN 472 Cb 0.12 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 2buq n GLN 472 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2buq n ARG 473 N -1.17 1.70 -3.72 -1.09 3.00 -0.56 -4.77 116.66 110.04 2buq n ARG 473 Ca 0.13 0.61 -0.13 0.00 -0.00 0.00 0.00 57.85 58.47 2buq n ARG 473 Cb 0.27 -2.33 -0.10 0.00 0.00 0.00 0.00 32.46 30.30 2buq n ARG 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2buq s LEU 474 N 0.96 0.32 -0.03 6.15 2.96 -1.16 -5.04 118.68 122.84 2buq s LEU 474 Ca 0.82 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.63 2buq s LEU 474 Cb -0.81 1.46 0.00 0.00 0.50 0.00 0.00 46.19 47.35 2buq s LEU 474 CO 0.43 -0.15 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.57 2buq s ILE 475 N 0.33 0.97 0.00 6.68 1.01 -1.26 -1.14 121.20 127.79 2buq s ILE 475 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2buq s ILE 475 Cb -0.03 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2buq s ILE 475 CO -0.01 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 174.99 2buq n SER 476 N 3.32 0.00 -3.79 3.58 2.88 -0.16 -5.01 113.62 114.44 2buq n SER 476 Ca -0.19 -0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 57.10 2buq n SER 476 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 2buq n SER 476 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2buq s GLN 477 N 0.61 0.54 0.19 -1.46 -0.21 -1.26 -1.36 119.66 116.70 2buq s GLN 477 Ca 0.00 -0.08 0.09 0.00 0.02 0.00 0.00 55.36 55.39 2buq s GLN 477 Cb 0.00 0.24 -0.04 0.00 1.00 0.00 0.00 33.01 34.21 2buq s GLN 477 CO 0.00 -0.13 -0.18 -0.59 -2.12 0.00 0.00 175.29 172.27 2buq s PHE 478 N -0.94 1.91 0.52 0.91 -0.12 -0.39 -4.88 117.98 114.98 2buq s PHE 478 Ca -0.10 -0.46 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 2buq s PHE 478 Cb -0.05 -0.92 -0.00 0.00 -0.63 0.00 0.00 43.02 41.41 2buq s PHE 478 CO 0.03 0.40 0.00 0.71 -0.05 0.00 0.00 175.22 176.31 2buq s TYR 479 N -2.20 1.77 -0.11 3.49 1.51 0.64 -1.79 117.35 120.66 2buq s TYR 479 Ca 0.19 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 2buq s TYR 479 Cb -0.05 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 2buq s TYR 479 CO 0.08 0.19 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.46 2buq s PHE 480 N -2.91 2.69 0.07 2.71 0.40 -1.26 0.29 117.98 119.98 2buq s PHE 480 Ca 0.02 -0.82 -0.37 0.00 -0.60 0.00 0.00 56.93 55.16 2buq s PHE 480 Cb 0.00 -1.78 -0.18 0.00 0.51 0.00 0.00 43.02 41.57 2buq s PHE 480 CO 0.01 -0.30 1.07 -1.91 0.70 0.00 0.00 175.22 174.79 2buq n GLU 481 N 3.50 0.43 0.00 0.44 2.13 -0.18 -1.87 120.64 125.09 2buq n GLU 481 Ca -0.18 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2buq n GLU 481 Cb 0.53 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2buq n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2buq n GLY 482 N 1.86 2.34 3.67 8.31 0.00 -1.26 -4.95 105.19 115.16 2buq n GLY 482 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2buq n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2buq n ASP 483 N 0.00 3.93 0.25 1.61 4.64 -0.78 -4.86 116.55 121.34 2buq n ASP 483 Ca 0.00 0.93 0.17 0.00 -1.38 0.00 0.00 54.79 54.50 2buq n ASP 483 Cb 0.00 -1.47 0.74 0.00 -1.04 0.00 0.00 41.12 39.35 2buq n ASP 483 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2buq h THR 484 N 5.57 0.00 0.00 5.18 1.35 -1.95 -2.78 112.91 120.28 2buq h THR 484 Ca -0.49 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2buq h THR 484 Cb 1.25 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2buq h THR 484 CO 0.94 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 176.14 2buq h LEU 485 N 0.00 0.00 -1.13 3.87 3.38 -1.96 -3.17 115.31 116.30 2buq h LEU 485 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2buq h LEU 485 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2buq h LEU 485 CO 0.00 0.00 0.60 0.40 0.09 0.00 0.00 178.44 179.53 2buq h ILE 486 N 0.00 0.97 0.00 1.22 2.04 -1.88 -2.21 117.51 117.64 2buq h ILE 486 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2buq h ILE 486 Cb 0.61 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2buq h ILE 486 CO 0.00 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.79 2buq n ASP 487 N -4.55 0.00 -0.00 1.72 8.00 -1.20 -3.37 116.55 117.15 2buq n ASP 487 Ca 0.16 0.37 0.05 0.00 0.71 0.00 0.00 54.79 56.08 2buq n ASP 487 Cb 0.31 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 2buq n ASP 487 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2buq n SER 488 N -1.44 1.54 -4.66 -2.24 7.64 -0.86 -5.03 113.62 108.56 2buq n SER 488 Ca 0.06 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.15 2buq n SER 488 Cb 0.22 1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 64.63 2buq n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2buq h PRO 490 N 9.58 0.00 -0.21 0.00 0.11 -1.92 -0.80 132.00 138.75 2buq h PRO 490 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 2buq h PRO 490 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2buq h PRO 490 CO 0.95 0.28 -0.27 0.82 -0.21 0.00 0.00 178.00 179.57 2buq h ILE 491 N 0.00 1.33 -0.15 4.15 2.04 -1.91 -2.78 117.51 120.19 2buq h ILE 491 Ca -0.00 -1.46 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 2buq h ILE 491 Cb 0.66 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2buq h ILE 491 CO 0.04 0.45 -0.31 0.25 0.00 0.00 0.00 178.15 178.57 2buq h LEU 492 N 0.23 0.29 0.00 1.44 5.85 -1.85 -2.52 115.31 118.75 2buq h LEU 492 Ca 0.03 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2buq h LEU 492 Cb 0.84 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2buq h LEU 492 CO 0.06 0.59 0.00 0.29 -0.34 0.00 0.00 178.44 179.05 2buq n LYS 493 N -4.10 0.17 0.24 1.25 5.02 -0.33 -2.03 118.16 118.38 2buq n LYS 493 Ca -0.01 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2buq n LYS 493 Cb 0.41 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.53 2buq n LYS 493 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2buq h THR 494 N 0.00 0.53 -3.00 -0.18 1.35 -1.17 -3.41 112.91 107.03 2buq h THR 494 Ca 0.00 -0.82 -0.55 0.00 -0.55 0.00 0.00 66.41 64.50 2buq h THR 494 Cb 0.24 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2buq h THR 494 CO 0.00 0.16 0.76 -0.63 -0.25 0.00 0.00 175.52 175.57 2buq s ILE 495 N -3.91 4.02 0.31 6.82 1.01 -0.86 -4.15 121.20 124.44 2buq s ILE 495 Ca -0.01 1.37 0.16 0.00 0.00 0.00 0.00 60.65 62.16 2buq s ILE 495 Cb 0.12 -3.88 0.12 0.00 0.01 0.00 0.00 42.46 38.82 2buq s ILE 495 CO 0.60 -0.00 1.81 -0.65 0.00 0.00 0.00 174.94 176.70 2buq h PRO 496 N 7.63 0.00 -6.19 2.79 0.11 -1.81 -3.45 132.00 131.08 2buq h PRO 496 Ca -0.36 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.08 2buq h PRO 496 Cb 1.17 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.11 2buq h PRO 496 CO 0.89 0.37 -0.68 -1.54 -0.21 0.00 0.00 178.00 176.83 2buq s SER 497 N -6.69 4.77 0.26 -2.05 1.04 -1.26 -5.01 113.70 104.75 2buq s SER 497 Ca -0.02 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 2buq s SER 497 Cb 0.13 -1.18 0.35 0.00 0.10 0.00 0.00 66.02 65.42 2buq s SER 497 CO 0.70 0.32 1.89 -0.08 0.98 0.00 0.00 173.24 177.04 2buq h GLU 498 N 4.78 1.14 -0.26 4.02 4.57 -2.00 -1.70 114.58 125.14 2buq h GLU 498 Ca -0.49 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 57.55 2buq h GLU 498 Cb 1.17 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2buq h GLU 498 CO 0.54 0.75 -0.15 -0.56 -1.18 0.00 0.00 179.01 178.41 2buq h GLN 499 N 1.17 0.44 -0.04 1.92 3.07 -1.99 -1.63 115.11 118.05 2buq h GLN 499 Ca 0.40 -0.13 -0.16 0.00 0.09 0.00 0.00 58.65 58.86 2buq h GLN 499 Cb 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 2buq h GLN 499 CO -0.15 0.59 -0.68 1.96 0.09 0.00 0.00 178.83 180.63 2buq h GLN 500 N 0.40 0.21 -0.35 0.06 1.08 -1.83 -2.21 115.11 112.47 2buq h GLN 500 Ca 0.07 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 2buq h GLN 500 Cb 0.51 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2buq h GLN 500 CO 0.03 0.81 -0.08 0.00 -0.95 0.00 0.00 178.83 178.64 2buq h ARG 501 N 0.14 0.59 0.00 1.46 3.08 -0.60 -2.26 114.38 116.79 2buq h ARG 501 Ca -0.02 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2buq h ARG 501 Cb 1.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2buq h ARG 501 CO 0.10 0.67 -0.26 0.00 -1.07 0.00 0.00 179.97 179.41 2buq h ARG 502 N 0.55 0.00 0.00 0.04 3.08 -1.07 -2.49 114.38 114.50 2buq h ARG 502 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2buq h ARG 502 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2buq h ARG 502 CO 0.02 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 2buq n ALA 503 N -2.25 1.41 -0.57 0.04 0.00 -0.85 -2.04 120.51 116.25 2buq n ALA 503 Ca -0.00 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2buq n ALA 503 Cb 0.44 -1.14 0.34 0.00 0.00 0.00 0.00 19.45 19.09 2buq n ALA 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2buq n LEU 504 N -1.50 4.53 -4.48 0.00 4.77 -0.94 -4.93 117.00 114.46 2buq n LEU 504 Ca 0.02 -2.35 -0.37 0.00 -0.03 0.00 0.00 56.01 53.28 2buq n LEU 504 Cb 0.10 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 40.52 2buq n LEU 504 CO 0.08 0.85 -0.24 -0.63 -1.33 0.00 0.00 177.39 176.13 2buq s ILE 505 N -1.65 4.64 0.25 -0.08 1.01 -0.86 -0.26 121.20 124.25 2buq s ILE 505 Ca 0.50 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 2buq s ILE 505 Cb 0.31 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.47 2buq s ILE 505 CO 0.26 0.27 1.02 0.00 0.00 0.00 0.00 174.94 176.49 2buq s ALA 506 N 1.66 3.37 -0.09 9.38 0.00 0.15 -4.85 121.76 131.38 2buq s ALA 506 Ca 0.06 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 2buq s ALA 506 Cb -0.16 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2buq s ALA 506 CO 0.06 0.01 0.26 -0.51 0.00 0.00 0.00 175.76 175.58 2buq s LEU 507 N -1.26 4.38 0.22 0.00 1.43 -0.45 -1.01 118.68 122.00 2buq s LEU 507 Ca 0.43 0.63 -0.32 0.00 -1.03 0.00 0.00 54.13 53.84 2buq s LEU 507 Cb -0.29 -2.30 -0.12 0.00 0.03 0.00 0.00 46.19 43.51 2buq s LEU 507 CO 0.36 0.31 1.66 1.21 0.23 0.00 0.00 176.35 180.13 2buq n GLU 508 N 2.31 2.64 -3.84 1.70 2.13 -1.26 -0.45 120.64 123.87 2buq n GLU 508 Ca -0.16 0.95 -0.28 0.00 0.66 0.00 0.00 57.16 58.32 2buq n GLU 508 Cb 0.53 -2.76 -0.11 0.00 0.27 0.00 0.00 31.44 29.37 2buq n GLU 508 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2buq n ASP 509 N 3.37 3.20 -0.33 4.31 -0.08 0.27 -4.82 116.55 122.46 2buq n ASP 509 Ca 0.14 -3.24 0.03 0.00 -1.51 0.00 0.00 54.79 50.21 2buq n ASP 509 Cb 0.34 -0.77 0.17 0.00 2.34 0.00 0.00 41.12 43.20 2buq n ASP 509 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2buq h LYS 510 N 5.30 0.98 0.00 -0.67 3.11 -1.92 -1.54 116.57 121.83 2buq h LYS 510 Ca 0.16 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.92 2buq h LYS 510 Cb 0.75 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2buq h LYS 510 CO 0.74 0.65 -0.09 0.77 -2.81 0.00 0.00 179.45 178.71 2buq h SER 511 N 1.01 0.00 -0.58 4.20 0.02 -1.96 -2.41 113.55 113.83 2buq h SER 511 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2buq h SER 511 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2buq h SER 511 CO -0.20 0.09 0.00 0.59 -1.14 0.00 0.00 176.83 176.17 2buq n ASN 512 N -3.37 3.10 -4.76 3.07 3.02 -0.58 -4.94 115.26 110.79 2buq n ASN 512 Ca -0.01 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.18 2buq n ASN 512 Cb 0.26 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2buq n ASN 512 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2buq s PHE 513 N -1.23 2.49 -0.28 3.10 0.40 -0.91 -4.61 117.98 116.93 2buq s PHE 513 Ca 0.39 1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 58.18 2buq s PHE 513 Cb 0.20 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.34 2buq s PHE 513 CO 0.26 -1.97 0.06 0.42 0.70 0.00 0.00 175.22 174.69 2buq s ILE 514 N -1.70 3.93 0.24 0.64 1.01 0.88 -4.99 121.20 121.21 2buq s ILE 514 Ca 0.75 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 2buq s ILE 514 Cb -0.28 -2.98 -0.15 0.00 0.01 0.00 0.00 42.46 39.07 2buq s ILE 514 CO 0.31 0.15 1.05 -1.84 0.00 0.00 0.00 174.94 174.62 2buq n GLU 515 N 4.86 1.22 -2.45 2.79 0.00 -1.26 -1.51 120.64 124.29 2buq n GLU 515 Ca -0.15 0.43 -0.13 0.00 0.00 0.00 0.00 57.16 57.31 2buq n GLU 515 Cb 0.49 -1.83 -0.01 0.00 0.00 0.00 0.00 31.44 30.09 2buq n GLU 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2buq n ALA 516 N 0.73 -0.77 -0.41 -1.84 0.00 -1.26 -4.67 120.51 112.29 2buq n ALA 516 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2buq n ALA 516 Cb 0.29 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2buq n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2buq n ASP 517 N -1.83 0.00 -3.93 0.00 4.64 -0.59 -5.17 116.55 109.66 2buq n ASP 517 Ca -0.15 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.16 2buq n ASP 517 Cb 0.62 0.08 -0.11 0.00 -1.04 0.00 0.00 41.12 40.67 2buq n ASP 517 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2buq s SER 518 N -1.38 0.15 0.78 1.67 0.01 -0.57 -4.75 113.70 109.61 2buq s SER 518 Ca 0.00 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 2buq s SER 518 Cb 0.00 0.13 0.14 0.00 0.21 0.00 0.00 66.02 66.50 2buq s SER 518 CO 0.00 -0.29 1.08 -0.13 0.41 0.00 0.00 173.24 174.31 2buq s ARG 519 N -1.26 1.46 -0.09 12.44 0.52 -0.68 -0.08 118.95 131.26 2buq s ARG 519 Ca -0.14 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.15 2buq s ARG 519 Cb -0.08 -2.19 0.03 0.00 0.52 0.00 0.00 34.95 33.22 2buq s ARG 519 CO -0.00 -1.67 0.24 0.00 0.02 0.00 0.00 175.30 173.88 2buq s TYR 521 N 0.34 2.02 -0.14 0.00 1.51 0.21 -0.56 117.35 120.72 2buq s TYR 521 Ca -0.02 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2buq s TYR 521 Cb -0.03 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2buq s TYR 521 CO -0.01 0.06 -0.05 0.50 -1.11 0.00 0.00 175.55 174.94 2buq s ARG 522 N -0.99 3.54 -0.20 -0.62 6.06 0.41 -1.46 118.95 125.69 2buq s ARG 522 Ca 0.09 -0.54 -0.04 0.00 -2.50 0.00 0.00 55.73 52.74 2buq s ARG 522 Cb -0.09 -2.85 0.10 0.00 0.06 0.00 0.00 34.95 32.17 2buq s ARG 522 CO 0.01 0.29 0.32 0.12 -2.50 0.00 0.00 175.30 173.55 2buq s PHE 523 N 0.21 -0.60 0.12 5.12 5.36 -0.05 -1.34 117.98 126.80 2buq s PHE 523 Ca -0.03 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 2buq s PHE 523 Cb -0.14 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 2buq s PHE 523 CO 0.03 -0.56 0.24 -0.51 -1.46 0.00 0.00 175.22 172.96 2buq s ASP 524 N 2.48 6.24 -0.02 6.13 -0.00 -1.26 -3.95 116.67 126.29 2buq s ASP 524 Ca 0.06 0.17 0.04 0.00 -0.00 0.00 0.00 52.55 52.81 2buq s ASP 524 Cb -0.14 -1.87 -0.00 0.00 -0.00 0.00 0.00 42.92 40.91 2buq s ASP 524 CO -0.13 0.09 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.38 2buq s ILE 525 N -1.66 1.07 -0.14 0.77 1.01 -0.35 -4.95 121.20 116.95 2buq s ILE 525 Ca 0.34 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2buq s ILE 525 Cb -0.12 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2buq s ILE 525 CO 0.28 0.31 -0.19 -0.89 0.00 0.00 0.00 174.94 174.45 2buq s THR 526 N -0.08 2.40 0.42 2.92 2.01 -1.26 -1.26 115.64 120.79 2buq s THR 526 Ca 0.01 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.21 2buq s THR 526 Cb -0.08 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 2buq s THR 526 CO 0.00 0.54 0.42 -0.76 -0.69 0.00 0.00 174.62 174.13 2buq s LEU 527 N 0.68 3.43 0.66 4.42 1.43 0.10 -4.91 118.68 124.48 2buq s LEU 527 Ca -0.09 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 2buq s LEU 527 Cb -0.16 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 2buq s LEU 527 CO 0.02 -0.69 1.18 -0.13 0.23 0.00 0.00 176.35 176.96 2buq s ARG 528 N -4.18 2.65 0.15 1.70 0.52 -1.26 -0.74 118.95 117.79 2buq s ARG 528 Ca 0.49 1.69 0.11 0.00 -0.52 0.00 0.00 55.73 57.50 2buq s ARG 528 Cb -0.04 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2buq s ARG 528 CO 0.29 -1.43 -0.25 0.20 0.02 0.00 0.00 175.30 174.14 2buq s GLY 529 N -2.00 1.57 0.25 -3.53 0.00 -1.26 -4.48 107.32 97.87 2buq s GLY 529 Ca 0.74 -1.50 -0.23 0.00 0.00 0.00 0.00 44.72 43.72 2buq s GLY 529 CO 0.39 -1.51 0.81 0.50 0.00 0.00 0.00 173.10 173.29 2buq s ARG 530 N -2.31 4.42 0.37 2.90 0.52 -1.26 -1.27 118.95 122.32 2buq s ARG 530 Ca 0.16 1.07 -0.07 0.00 -0.52 0.00 0.00 55.73 56.37 2buq s ARG 530 Cb -0.09 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 2buq s ARG 530 CO 0.07 0.38 0.68 1.03 0.02 0.00 0.00 175.30 177.49 2buq s ARG 531 N -1.88 3.68 0.15 3.54 0.52 -0.56 -4.92 118.95 119.49 2buq s ARG 531 Ca 0.44 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.87 2buq s ARG 531 Cb -0.18 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 2buq s ARG 531 CO 0.23 0.04 0.34 0.00 0.02 0.00 0.00 175.30 175.93 2buq s ALA 532 N -2.31 3.87 -0.12 2.13 0.00 -1.26 -0.44 121.76 123.63 2buq s ALA 532 Ca 0.48 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 2buq s ALA 532 Cb -0.10 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 2buq s ALA 532 CO 0.33 0.61 -0.02 0.99 0.00 0.00 0.00 175.76 177.66 2buq s THR 533 N -1.71 4.10 0.00 0.00 2.01 0.13 -4.68 115.64 115.49 2buq s THR 533 Ca 0.38 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2buq s THR 533 Cb -0.12 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2buq s THR 533 CO 0.27 0.55 0.15 -1.22 -0.69 0.00 0.00 174.62 173.69 2buq n TYR 534 N 2.78 0.00 0.00 4.92 4.02 -1.26 -4.45 117.16 123.17 2buq n TYR 534 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2buq n TYR 534 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2buq n TYR 534 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2buq n PHE 535 N -0.69 0.00 -1.74 -0.72 3.01 -1.26 -5.08 117.46 110.99 2buq n PHE 535 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2buq n PHE 535 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.47 2buq n PHE 535 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2buq n GLU 536 N 0.00 2.48 -3.58 -1.08 4.71 -1.26 -4.96 120.64 116.95 2buq n GLU 536 Ca 0.00 0.87 -0.40 0.00 -0.01 0.00 0.00 57.16 57.62 2buq n GLU 536 Cb 0.00 -2.56 -0.08 0.00 -1.01 0.00 0.00 31.44 27.79 2buq n GLU 536 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2buq s ASN 537 N -0.08 5.70 0.00 1.62 2.47 -1.26 -4.93 114.94 118.47 2buq s ASN 537 Ca 0.56 -2.30 0.26 0.00 0.42 0.00 0.00 52.86 51.81 2buq s ASN 537 Cb -0.52 -1.98 0.73 0.00 -1.45 0.00 0.00 41.25 38.03 2buq s ASN 537 CO 0.61 -0.58 1.57 0.47 -3.72 0.00 0.00 177.10 175.45 2buq n ASP 538 N 4.35 0.44 -0.31 -4.21 8.00 -1.26 -4.29 116.55 119.28 2buq n ASP 538 Ca 0.00 -0.17 0.22 0.00 0.71 0.00 0.00 54.79 55.55 2buq n ASP 538 Cb 0.41 0.06 0.51 0.00 -0.02 0.00 0.00 41.12 42.08 2buq n ASP 538 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2buq h LEU 539 N 0.14 0.44 -0.69 0.64 5.85 -1.91 -3.52 115.31 116.26 2buq h LEU 539 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2buq h LEU 539 Cb 0.49 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2buq h LEU 539 CO 0.00 0.11 0.00 0.41 -0.34 0.00 0.00 178.44 178.62