#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iuu n PRO 316 N 0.00 0.93 -2.94 1.96 -0.04 -1.26 -4.97 135.00 128.67 2iuu n PRO 316 Ca 0.00 0.33 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 2iuu n PRO 316 Cb 0.00 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.81 2iuu n PRO 316 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2iuu s PRO 317 N -1.42 4.61 0.00 0.54 0.04 -1.26 -4.94 135.00 132.57 2iuu s PRO 317 Ca 0.60 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.87 2iuu s PRO 317 Cb -0.75 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 30.60 2iuu s PRO 317 CO 0.59 0.54 0.85 1.28 0.04 0.00 0.00 177.00 180.30 2iuu n LEU 318 N 1.67 0.00 0.29 -3.56 4.77 -1.26 -1.40 117.00 117.50 2iuu n LEU 318 Ca -0.05 0.28 0.17 0.00 -0.03 0.00 0.00 56.01 56.38 2iuu n LEU 318 Cb 0.49 -0.28 0.82 0.00 -2.33 0.00 0.00 43.42 42.11 2iuu n LEU 318 CO 0.47 -0.27 1.02 0.28 -1.33 0.00 0.00 177.39 177.56 2iuu h SER 319 N 0.00 0.00 0.78 -1.43 0.02 -2.01 -2.17 113.55 108.73 2iuu h SER 319 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iuu h SER 319 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2iuu h SER 319 CO 0.00 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 2iuu n LEU 320 N -3.26 0.72 -4.76 5.07 4.77 -0.49 -4.77 117.00 114.28 2iuu n LEU 320 Ca -0.01 0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 56.25 2iuu n LEU 320 Cb 0.24 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 2iuu n LEU 320 CO 0.27 -0.57 0.30 -0.76 -1.33 0.00 0.00 177.39 175.30 2iuu s LEU 321 N -4.58 4.41 0.49 2.23 1.43 -0.82 -4.80 118.68 117.03 2iuu s LEU 321 Ca 0.04 1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 54.08 2iuu s LEU 321 Cb 0.09 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.29 2iuu s LEU 321 CO 0.41 0.08 1.05 0.47 0.23 0.00 0.00 176.35 178.59 2iuu n ASP 322 N 2.82 1.36 -4.80 2.29 8.00 -1.26 -4.93 116.55 120.03 2iuu n ASP 322 Ca -0.06 0.97 -0.32 0.00 0.71 0.00 0.00 54.79 56.08 2iuu n ASP 322 Cb 0.51 -1.40 0.02 0.00 -0.02 0.00 0.00 41.12 40.24 2iuu n ASP 322 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2iuu s PRO 323 N -2.33 3.17 -0.16 -0.24 0.02 -1.26 -4.44 135.00 129.77 2iuu s PRO 323 Ca 0.67 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 62.56 2iuu s PRO 323 Cb -0.49 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 2iuu s PRO 323 CO 0.54 -0.93 1.86 0.00 -0.33 0.00 0.00 177.00 178.14 2iuu s ALA 324 N -2.60 3.21 0.72 -1.55 0.00 -1.26 -4.95 121.76 115.33 2iuu s ALA 324 Ca 0.62 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 2iuu s ALA 324 Cb -0.16 -3.91 0.03 0.00 0.00 0.00 0.00 23.12 19.09 2iuu s ALA 324 CO 0.42 -2.07 1.23 -1.21 0.00 0.00 0.00 175.76 174.13 2iuu s GLU 325 N 5.04 2.17 -0.55 0.00 2.02 -1.26 -4.79 118.70 121.33 2iuu s GLU 325 Ca 0.83 1.85 -0.33 0.00 0.02 0.00 0.00 54.97 57.34 2iuu s GLU 325 Cb -0.31 -1.83 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 2iuu s GLU 325 CO 0.34 -1.83 2.35 0.28 0.02 0.00 0.00 175.26 176.42 2iuu n VAL 326 N -2.57 0.07 -1.88 2.63 0.31 -1.26 -4.80 118.33 110.82 2iuu n VAL 326 Ca 0.14 -0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 63.89 2iuu n VAL 326 Cb 0.50 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 2iuu n VAL 326 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2iuu n LYS 327 N 8.35 1.59 -2.23 5.55 2.85 -1.26 -4.83 118.16 128.18 2iuu n LYS 327 Ca 0.48 -2.35 -0.43 0.00 -1.05 0.00 0.00 58.31 54.97 2iuu n LYS 327 Cb 0.21 -3.57 0.00 0.00 -0.65 0.00 0.00 35.03 31.02 2iuu n LYS 327 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2iuu n GLN 328 N 8.03 3.06 0.00 -1.58 7.27 -1.26 -4.81 117.38 128.09 2iuu n GLN 328 Ca 0.46 -3.01 0.00 0.00 0.07 0.00 0.00 57.00 54.52 2iuu n GLN 328 Cb 0.45 -3.39 0.00 0.00 2.41 0.00 0.00 30.24 29.71 2iuu n GLN 328 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2iuu n LYS 329 N 7.30 0.18 -2.21 3.69 0.00 -1.26 -5.03 118.16 120.83 2iuu n LYS 329 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 2iuu n LYS 329 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.46 2iuu n LYS 329 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2iuu n SER 330 N 0.00 -8.86 -4.18 -5.58 3.41 -1.26 -4.99 113.62 92.15 2iuu n SER 330 Ca 0.00 1.60 -0.35 0.00 -0.26 0.00 0.00 58.87 59.86 2iuu n SER 330 Cb 0.00 -5.03 -0.13 0.00 -0.26 0.00 0.00 64.21 58.79 2iuu n SER 330 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2iuu s TYR 331 N -0.53 3.29 0.20 7.33 1.51 -1.26 -5.07 117.35 122.81 2iuu s TYR 331 Ca 0.00 -1.84 -0.29 0.00 -1.01 0.00 0.00 57.07 53.93 2iuu s TYR 331 Cb 0.00 -2.21 -0.17 0.00 -0.11 0.00 0.00 41.96 39.47 2iuu s TYR 331 CO 0.00 -0.80 0.62 -1.13 -1.11 0.00 0.00 175.55 173.12 2iuu n SER 332 N 4.65 -0.86 -0.24 2.29 3.41 -1.26 -4.55 113.62 117.06 2iuu n SER 332 Ca -0.12 1.14 0.32 0.00 -0.26 0.00 0.00 58.87 59.95 2iuu n SER 332 Cb 0.43 -0.99 0.72 0.00 -0.26 0.00 0.00 64.21 64.11 2iuu n SER 332 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2iuu h PRO 333 N 1.27 0.00 -0.08 4.33 0.11 -1.99 0.35 132.00 135.98 2iuu h PRO 333 Ca -0.31 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.67 2iuu h PRO 333 Cb 1.43 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.54 2iuu h PRO 333 CO 0.58 0.00 -0.47 1.05 -0.21 0.00 0.00 178.00 178.95 2iuu h GLU 334 N 0.00 0.47 0.29 1.05 4.11 -1.98 -2.15 114.58 116.36 2iuu h GLU 334 Ca 0.49 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2iuu h GLU 334 Cb 2.16 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.48 2iuu h GLU 334 CO -0.01 1.03 -0.21 0.77 0.07 0.00 0.00 179.01 180.66 2iuu h SER 335 N 0.03 -0.54 -0.97 3.06 0.02 -0.63 0.91 113.55 115.43 2iuu h SER 335 Ca -0.04 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2iuu h SER 335 Cb 1.13 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.77 2iuu h SER 335 CO 0.10 -0.33 0.61 -0.07 -1.14 0.00 0.00 176.83 176.00 2iuu h LEU 336 N -0.50 0.95 -1.18 5.07 3.38 -1.48 0.03 115.31 121.58 2iuu h LEU 336 Ca -0.02 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2iuu h LEU 336 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2iuu h LEU 336 CO 0.00 0.57 -0.40 -0.08 0.09 0.00 0.00 178.44 178.63 2iuu h GLU 337 N 1.06 0.00 0.23 1.13 4.22 -0.89 -1.50 114.58 118.83 2iuu h GLU 337 Ca 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.87 2iuu h GLU 337 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2iuu h GLU 337 CO -0.21 0.40 -0.11 0.00 -2.18 0.00 0.00 179.01 176.91 2iuu h ALA 338 N 1.60 -0.31 -0.95 2.92 0.00 0.10 -2.79 119.26 119.83 2iuu h ALA 338 Ca -0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2iuu h ALA 338 Cb 0.73 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2iuu h ALA 338 CO 0.05 -0.46 0.60 1.98 0.00 0.00 0.00 179.25 181.43 2iuu h MET 339 N -0.73 0.88 -0.52 0.00 1.85 -1.09 -0.59 114.93 114.73 2iuu h MET 339 Ca -0.03 -0.05 0.05 0.00 -0.61 0.00 0.00 59.70 59.05 2iuu h MET 339 Cb 0.50 -0.20 -0.05 0.00 0.43 0.00 0.00 31.60 32.28 2iuu h MET 339 CO 0.05 0.58 0.26 0.77 -0.40 0.00 0.00 176.91 178.17 2iuu h SER 340 N 0.91 0.37 -0.06 1.39 0.02 -1.20 0.18 113.55 115.16 2iuu h SER 340 Ca 0.46 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.29 2iuu h SER 340 Cb 0.50 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2iuu h SER 340 CO -0.22 0.25 -0.46 0.03 -1.14 0.00 0.00 176.83 175.29 2iuu h ARG 341 N 0.50 0.60 0.10 3.45 -0.00 -1.02 -1.99 114.38 116.02 2iuu h ARG 341 Ca 0.23 -0.34 0.01 0.00 -0.50 0.00 0.00 59.98 59.38 2iuu h ARG 341 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.12 2iuu h ARG 341 CO -0.17 0.94 -0.13 1.25 0.00 0.00 0.00 179.97 181.86 2iuu h LEU 342 N 0.49 -0.35 -0.07 3.04 6.46 -0.38 0.25 115.31 124.75 2iuu h LEU 342 Ca 0.03 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2iuu h LEU 342 Cb 0.99 0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 2iuu h LEU 342 CO 0.09 -0.19 -0.39 0.25 -0.62 0.00 0.00 178.44 177.58 2iuu h LEU 343 N -0.27 -1.20 -0.43 2.25 6.46 -0.57 0.13 115.31 121.68 2iuu h LEU 343 Ca 0.01 0.16 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 2iuu h LEU 343 Cb 0.27 0.49 -0.09 0.00 -0.73 0.00 0.00 40.66 40.60 2iuu h LEU 343 CO -0.06 -0.42 -0.13 -0.33 -0.62 0.00 0.00 178.44 176.88 2iuu h GLU 344 N -0.50 -0.03 0.39 1.25 5.08 -0.96 -1.09 114.58 118.72 2iuu h GLU 344 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2iuu h GLU 344 Cb 0.62 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2iuu h GLU 344 CO -0.35 -0.02 -0.37 0.82 -1.00 0.00 0.00 179.01 178.10 2iuu h ILE 345 N -0.03 0.25 -0.59 3.13 1.08 0.50 -0.98 117.51 120.87 2iuu h ILE 345 Ca 0.21 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.77 2iuu h ILE 345 Cb 0.35 0.25 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 2iuu h ILE 345 CO -0.46 0.00 0.21 0.11 -0.69 0.00 0.00 178.15 177.32 2iuu h LYS 346 N -0.77 0.38 -0.53 2.37 1.79 -0.39 0.32 116.57 119.74 2iuu h LYS 346 Ca -0.03 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2iuu h LYS 346 Cb 0.69 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 2iuu h LYS 346 CO -0.05 0.25 0.19 -0.07 -1.08 0.00 0.00 179.45 178.69 2iuu h LEU 347 N 0.39 0.71 -0.73 2.94 3.38 -1.08 -1.86 115.31 119.06 2iuu h LEU 347 Ca 0.29 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2iuu h LEU 347 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2iuu h LEU 347 CO -0.30 0.66 -0.16 0.50 0.09 0.00 0.00 178.44 179.23 2iuu h LYS 348 N 0.76 0.80 -0.69 1.13 3.11 0.35 -2.21 116.57 119.82 2iuu h LYS 348 Ca 0.18 -0.29 0.01 0.00 -2.81 0.00 0.00 60.65 57.74 2iuu h LYS 348 Cb 0.19 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 2iuu h LYS 348 CO -0.01 0.91 0.46 0.93 -2.81 0.00 0.00 179.45 178.92 2iuu h GLU 349 N 0.71 0.88 0.00 1.90 5.08 0.36 -3.41 114.58 120.11 2iuu h GLU 349 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2iuu h GLU 349 Cb 0.66 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2iuu h GLU 349 CO 0.05 0.58 0.00 1.19 -1.00 0.00 0.00 179.01 179.83 2iuu n PHE 350 N -4.44 -2.86 0.07 4.33 3.01 -0.84 -5.00 117.46 111.73 2iuu n PHE 350 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.42 2iuu n PHE 350 Cb 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 2iuu n PHE 350 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2iuu h GLY 351 N 0.00 -0.18 -3.76 1.37 0.00 -1.79 -3.46 103.07 95.26 2iuu h GLY 351 Ca 0.00 0.14 -0.52 0.00 0.00 0.00 0.00 47.33 46.95 2iuu h GLY 351 CO 0.00 -0.12 0.57 -1.34 0.00 0.00 0.00 176.54 175.65 2iuu s VAL 352 N -6.15 2.98 -0.27 4.60 -7.23 -1.16 -4.87 120.40 108.31 2iuu s VAL 352 Ca -0.14 0.97 -0.04 0.00 -1.81 0.00 0.00 61.98 60.96 2iuu s VAL 352 Cb 0.08 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.43 2iuu s VAL 352 CO 0.66 0.21 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.96 2iuu s GLU 353 N -1.77 2.93 0.22 4.82 2.12 -1.26 -2.10 118.70 123.65 2iuu s GLU 353 Ca 0.49 -0.93 -0.00 0.00 0.36 0.00 0.00 54.97 54.88 2iuu s GLU 353 Cb -0.36 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 2iuu s GLU 353 CO 0.48 -0.42 0.15 0.54 -0.54 0.00 0.00 175.26 175.47 2iuu s VAL 354 N 1.39 0.00 -0.03 3.70 0.11 -1.26 -1.84 120.40 122.47 2iuu s VAL 354 Ca 0.01 -1.99 -0.01 0.00 -2.93 0.00 0.00 61.98 57.06 2iuu s VAL 354 Cb -0.17 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.21 2iuu s VAL 354 CO -0.02 0.00 0.06 -0.94 -3.33 0.00 0.00 175.10 170.88 2iuu s SER 355 N -3.18 -0.02 0.23 3.54 1.04 -1.03 -4.81 113.70 109.47 2iuu s SER 355 Ca 0.39 0.12 -0.31 0.00 0.48 0.00 0.00 55.95 56.63 2iuu s SER 355 Cb 0.06 0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.13 2iuu s SER 355 CO 0.14 -0.09 1.59 -0.69 0.98 0.00 0.00 173.24 175.16 2iuu s VAL 356 N 0.68 2.34 -0.09 5.02 1.01 -1.26 -0.23 120.40 127.87 2iuu s VAL 356 Ca -0.05 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.34 2iuu s VAL 356 Cb -0.08 -3.17 -0.23 0.00 0.00 0.00 0.00 36.38 32.91 2iuu s VAL 356 CO -0.02 0.03 0.22 -0.67 0.00 0.00 0.00 175.10 174.66 2iuu n ASP 357 N 3.16 1.10 -3.63 3.32 2.03 0.16 -4.84 116.55 117.84 2iuu n ASP 357 Ca 0.11 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.39 2iuu n ASP 357 Cb 0.38 1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 42.10 2iuu n ASP 357 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2iuu s SER 358 N -4.44 -0.09 -0.02 1.67 1.04 -1.01 -4.99 113.70 105.86 2iuu s SER 358 Ca -0.07 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.48 2iuu s SER 358 Cb 0.08 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2iuu s SER 358 CO 0.68 -0.11 -0.21 -0.69 0.98 0.00 0.00 173.24 173.89 2iuu s VAL 359 N -1.54 1.69 -0.36 5.02 1.01 -1.26 -0.91 120.40 124.05 2iuu s VAL 359 Ca 0.08 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2iuu s VAL 359 Cb -0.01 -1.41 0.12 0.00 0.00 0.00 0.00 36.38 35.09 2iuu s VAL 359 CO -0.05 0.48 0.18 -1.00 0.00 0.00 0.00 175.10 174.71 2iuu s HIS 360 N -0.46 1.19 0.60 5.22 3.76 -0.01 -5.01 115.29 120.59 2iuu s HIS 360 Ca 0.07 -1.74 -0.15 0.00 -0.15 0.00 0.00 55.06 53.09 2iuu s HIS 360 Cb -0.09 -1.34 -0.03 0.00 1.11 0.00 0.00 32.58 32.24 2iuu s HIS 360 CO -0.00 -0.83 1.05 -1.25 -0.85 0.00 0.00 174.74 172.86 2iuu s PRO 361 N 1.16 3.29 0.22 8.40 0.04 -1.26 -1.49 135.00 145.35 2iuu s PRO 361 Ca 0.15 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 2iuu s PRO 361 Cb -0.21 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2iuu s PRO 361 CO -0.11 -0.83 0.32 0.41 0.04 0.00 0.00 177.00 176.83 2iuu n GLY 362 N -1.15 2.42 0.19 0.56 0.00 -0.54 -4.78 105.19 101.90 2iuu n GLY 362 Ca 0.08 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2iuu n GLY 362 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iuu h PRO 363 N 0.00 0.56 0.00 1.61 0.11 -1.88 -3.37 132.00 129.03 2iuu h PRO 363 Ca -0.17 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.68 2iuu h PRO 363 Cb 0.74 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 2iuu h PRO 363 CO 0.23 0.37 -1.86 0.28 -0.21 0.00 0.00 178.00 176.80 2iuu n VAL 364 N -4.80 0.87 -4.36 3.15 0.31 -1.26 -1.48 118.33 110.76 2iuu n VAL 364 Ca 0.02 -0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 2iuu n VAL 364 Cb 0.05 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 31.90 2iuu n VAL 364 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2iuu s ILE 365 N -2.30 0.22 -0.05 2.52 -0.00 -1.26 -1.44 121.20 118.89 2iuu s ILE 365 Ca -0.19 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.47 2iuu s ILE 365 Cb 0.05 -2.45 0.02 0.00 -0.00 0.00 0.00 42.46 40.08 2iuu s ILE 365 CO 0.37 0.00 -0.03 -0.89 -0.00 0.00 0.00 174.94 174.38 2iuu s THR 366 N -3.44 0.51 -0.14 8.37 2.01 -0.30 -1.46 115.64 121.19 2iuu s THR 366 Ca 0.35 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 2iuu s THR 366 Cb 0.03 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 2iuu s THR 366 CO 0.21 0.24 0.46 -0.60 -0.69 0.00 0.00 174.62 174.24 2iuu s ARG 367 N 1.18 4.29 -0.36 4.92 3.52 -0.56 -1.39 118.95 130.55 2iuu s ARG 367 Ca -0.07 0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 2iuu s ARG 367 Cb -0.14 -3.47 0.07 0.00 -1.56 0.00 0.00 34.95 29.85 2iuu s ARG 367 CO -0.01 0.10 0.13 -0.06 -0.81 0.00 0.00 175.30 174.64 2iuu s PHE 368 N 0.84 3.36 -0.30 5.12 0.40 0.16 -0.83 117.98 126.72 2iuu s PHE 368 Ca 0.24 -1.82 -0.29 0.00 -0.60 0.00 0.00 56.93 54.46 2iuu s PHE 368 Cb -0.15 -2.59 0.01 0.00 0.51 0.00 0.00 43.02 40.80 2iuu s PHE 368 CO 0.09 -0.83 1.15 -1.21 0.70 0.00 0.00 175.22 175.12 2iuu s GLU 369 N 1.30 4.05 0.14 0.44 2.02 -0.09 -1.81 118.70 124.74 2iuu s GLU 369 Ca 0.01 1.18 0.06 0.00 0.02 0.00 0.00 54.97 56.23 2iuu s GLU 369 Cb -0.21 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 2iuu s GLU 369 CO -0.00 -0.93 0.03 0.96 0.02 0.00 0.00 175.26 175.33 2iuu s ILE 370 N 3.81 3.98 -0.37 -1.63 -0.00 0.85 0.35 121.20 128.20 2iuu s ILE 370 Ca 0.49 -1.20 -0.06 0.00 -0.00 0.00 0.00 60.65 59.89 2iuu s ILE 370 Cb -0.14 -2.97 0.07 0.00 -0.00 0.00 0.00 42.46 39.41 2iuu s ILE 370 CO 0.17 -0.03 0.16 -1.58 -0.00 0.00 0.00 174.94 173.66 2iuu s GLN 371 N -2.74 2.45 0.40 0.37 2.00 0.67 -1.17 119.66 121.64 2iuu s GLN 371 Ca 0.28 -1.41 -0.27 0.00 -2.00 0.00 0.00 55.36 51.95 2iuu s GLN 371 Cb -0.10 -3.54 -0.10 0.00 0.80 0.00 0.00 33.01 30.07 2iuu s GLN 371 CO 0.19 -0.83 1.48 -2.14 -0.50 0.00 0.00 175.29 173.49 2iuu s PRO 372 N 1.33 3.98 1.18 1.67 0.02 -1.26 -2.46 135.00 139.45 2iuu s PRO 372 Ca 0.01 2.54 -0.14 0.00 0.02 0.00 0.00 61.00 63.43 2iuu s PRO 372 Cb -0.21 -2.88 0.28 0.00 0.02 0.00 0.00 34.50 31.71 2iuu s PRO 372 CO 0.00 -0.63 1.03 0.00 -0.33 0.00 0.00 177.00 177.08 2iuu s ALA 373 N -1.14 -0.30 0.29 -1.55 0.00 -0.77 -4.90 121.76 113.39 2iuu s ALA 373 Ca 0.55 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 2iuu s ALA 373 Cb -0.46 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 2iuu s ALA 373 CO 0.62 -3.79 1.60 0.00 0.00 0.00 0.00 175.76 174.19 2iuu s ALA 374 N -2.56 3.76 0.00 0.00 0.00 -1.26 -2.74 121.76 118.96 2iuu s ALA 374 Ca 0.68 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2iuu s ALA 374 Cb -0.22 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2iuu s ALA 374 CO 0.62 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2iuu n GLY 375 N 2.28 2.96 3.72 0.00 0.00 -1.26 -5.01 105.19 107.88 2iuu n GLY 375 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2iuu n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuu s VAL 376 N -2.16 4.63 -0.05 1.61 0.11 -1.11 -5.03 120.40 118.41 2iuu s VAL 376 Ca 0.00 1.99 -0.13 0.00 -2.93 0.00 0.00 61.98 60.91 2iuu s VAL 376 Cb 0.00 -4.28 -0.05 0.00 -1.53 0.00 0.00 36.38 30.52 2iuu s VAL 376 CO 0.00 0.21 0.34 -0.54 -3.33 0.00 0.00 175.10 171.79 2iuu s LYS 377 N 0.61 3.87 0.32 1.54 1.02 -1.26 -4.86 119.74 120.98 2iuu s LYS 377 Ca 0.51 0.27 0.10 0.00 0.02 0.00 0.00 55.97 56.87 2iuu s LYS 377 Cb -0.23 -3.24 0.93 0.00 -0.52 0.00 0.00 37.83 34.77 2iuu s LYS 377 CO 0.29 0.64 1.70 0.28 -0.92 0.00 0.00 175.35 177.35 2iuu h VAL 378 N 3.90 0.45 -1.00 3.17 2.07 -1.96 0.28 116.25 123.17 2iuu h VAL 378 Ca -0.51 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.05 2iuu h VAL 378 Cb 1.21 -0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 2iuu h VAL 378 CO 0.63 0.09 0.61 0.77 0.02 0.00 0.00 177.57 179.69 2iuu h SER 379 N 0.48 0.72 -0.47 0.57 4.64 -1.99 0.32 113.55 117.83 2iuu h SER 379 Ca 0.66 0.10 0.05 0.00 -0.47 0.00 0.00 61.79 62.13 2iuu h SER 379 Cb 1.34 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2iuu h SER 379 CO -0.52 0.23 0.22 0.03 -0.87 0.00 0.00 176.83 175.91 2iuu h ARG 380 N 0.69 0.42 0.87 4.77 3.08 -1.34 0.38 114.38 123.24 2iuu h ARG 380 Ca 0.59 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.57 2iuu h ARG 380 Cb 1.02 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.98 2iuu h ARG 380 CO -0.38 0.28 -0.42 0.82 -1.07 0.00 0.00 179.97 179.20 2iuu h ILE 381 N 0.43 0.11 -0.66 2.04 1.08 -0.51 -3.02 117.51 116.98 2iuu h ILE 381 Ca 0.21 -0.05 0.14 0.00 -0.39 0.00 0.00 64.86 64.77 2iuu h ILE 381 Cb 0.14 0.12 -0.11 0.00 -3.07 0.00 0.00 36.82 33.90 2iuu h ILE 381 CO -0.17 0.00 -0.02 0.28 -0.69 0.00 0.00 178.15 177.56 2iuu h SER 382 N -1.21 -0.34 -0.53 1.72 0.02 -0.88 -2.22 113.55 110.10 2iuu h SER 382 Ca -0.12 0.17 0.15 0.00 -0.84 0.00 0.00 61.79 61.15 2iuu h SER 382 Cb 0.90 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2iuu h SER 382 CO 0.20 -0.14 0.41 0.78 -1.14 0.00 0.00 176.83 176.93 2iuu h ASN 383 N 0.10 0.00 -1.21 3.07 -0.26 -0.12 -2.38 115.58 114.79 2iuu h ASN 383 Ca 0.34 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.48 2iuu h ASN 383 Cb 0.57 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.44 2iuu h ASN 383 CO -0.58 0.00 -0.34 0.00 -1.06 0.00 0.00 177.43 175.45 2iuu n LEU 384 N -4.23 5.53 0.09 1.61 -0.00 -0.84 -4.59 117.00 114.58 2iuu n LEU 384 Ca 0.10 -4.87 -0.06 0.00 -0.00 0.00 0.00 56.01 51.18 2iuu n LEU 384 Cb 0.63 -0.55 0.06 0.00 -0.00 0.00 0.00 43.42 43.55 2iuu n LEU 384 CO 0.35 2.03 0.36 0.00 -0.00 0.00 0.00 177.39 180.13 2iuu h ALA 385 N 2.40 0.69 -0.21 1.47 0.00 -1.50 -0.49 119.26 121.62 2iuu h ALA 385 Ca 0.40 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2iuu h ALA 385 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2iuu h ALA 385 CO 0.98 0.84 -0.03 -0.22 0.00 0.00 0.00 179.25 180.83 2iuu h LYS 386 N 0.12 0.38 -0.12 0.00 1.63 -1.83 -1.26 116.57 115.49 2iuu h LYS 386 Ca -0.02 -0.14 -0.18 0.00 -0.85 0.00 0.00 60.65 59.46 2iuu h LYS 386 Cb 1.32 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.93 2iuu h LYS 386 CO 0.11 0.61 -0.61 -0.44 -3.45 0.00 0.00 179.45 175.67 2iuu h ASP 387 N 0.12 0.74 -0.57 4.20 5.19 -1.88 -2.83 116.42 121.38 2iuu h ASP 387 Ca 0.05 -0.64 0.07 0.00 -0.62 0.00 0.00 57.03 55.89 2iuu h ASP 387 Cb 0.46 -0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.69 2iuu h ASP 387 CO 0.02 1.27 0.26 0.25 -3.12 0.00 0.00 179.24 177.91 2iuu h LEU 388 N 0.27 0.34 -0.58 1.55 5.85 -1.09 0.21 115.31 121.85 2iuu h LEU 388 Ca -0.04 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.83 2iuu h LEU 388 Cb 1.26 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 2iuu h LEU 388 CO 0.13 0.22 0.13 0.00 -0.34 0.00 0.00 178.44 178.57 2iuu h ALA 389 N 1.34 0.68 -0.15 1.25 0.00 -1.19 -0.20 119.26 121.00 2iuu h ALA 389 Ca 0.27 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2iuu h ALA 389 Cb 0.24 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2iuu h ALA 389 CO -0.22 -0.30 0.01 -0.09 0.00 0.00 0.00 179.25 178.65 2iuu h ARG 390 N 0.26 0.26 -0.02 0.00 2.43 -0.95 -0.77 114.38 115.59 2iuu h ARG 390 Ca 0.30 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2iuu h ARG 390 Cb 0.44 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2iuu h ARG 390 CO -0.38 0.46 0.02 0.66 -1.51 0.00 0.00 179.97 179.21 2iuu h SER 391 N 0.02 0.00 -0.09 -3.80 4.64 -0.33 0.21 113.55 114.20 2iuu h SER 391 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2iuu h SER 391 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2iuu h SER 391 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 2iuu n LEU 392 N -3.91 2.26 -2.78 5.97 4.77 -0.15 -4.95 117.00 118.21 2iuu n LEU 392 Ca -0.03 -0.82 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 2iuu n LEU 392 Cb 0.10 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2iuu n LEU 392 CO 0.28 0.41 -0.12 0.00 -1.33 0.00 0.00 177.39 176.63 2iuu n ALA 393 N 0.75 -0.85 -2.58 -1.18 0.00 0.74 -4.99 120.51 112.39 2iuu n ALA 393 Ca 0.17 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 2iuu n ALA 393 Cb 0.46 -2.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 2iuu n ALA 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2iuu s VAL 394 N -2.97 3.40 0.53 0.00 -7.23 -0.40 -5.03 120.40 108.70 2iuu s VAL 394 Ca 0.17 -1.25 0.20 0.00 -1.81 0.00 0.00 61.98 59.29 2iuu s VAL 394 Cb -0.08 -2.59 0.31 0.00 0.56 0.00 0.00 36.38 34.58 2iuu s VAL 394 CO 0.21 0.12 2.13 -0.29 -0.31 0.00 0.00 175.10 176.95 2iuu h ILE 395 N 3.25 0.86 -1.64 -0.62 2.10 -1.94 -3.38 117.51 116.15 2iuu h ILE 395 Ca -0.49 0.00 0.26 0.00 1.08 0.00 0.00 64.86 65.71 2iuu h ILE 395 Cb 1.17 0.93 -0.14 0.00 -1.09 0.00 0.00 36.82 37.69 2iuu h ILE 395 CO 0.52 0.00 0.75 -0.94 -1.08 0.00 0.00 178.15 177.41 2iuu s SER 396 N -6.72 -0.13 -0.01 2.19 1.04 -1.26 -4.96 113.70 103.85 2iuu s SER 396 Ca -0.05 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 2iuu s SER 396 Cb 0.17 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 2iuu s SER 396 CO 0.66 -0.37 0.04 0.54 0.98 0.00 0.00 173.24 175.08 2iuu s VAL 397 N -2.59 0.03 -0.24 5.02 0.11 -1.26 -4.35 120.40 117.12 2iuu s VAL 397 Ca 0.11 -0.26 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2iuu s VAL 397 Cb 0.01 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 2iuu s VAL 397 CO -0.04 -0.14 0.02 -0.60 -3.33 0.00 0.00 175.10 171.01 2iuu s ARG 398 N -0.42 3.45 -0.42 1.54 3.52 -0.87 -4.92 118.95 120.84 2iuu s ARG 398 Ca -0.05 -0.60 -0.20 0.00 -0.13 0.00 0.00 55.73 54.75 2iuu s ARG 398 Cb -0.03 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2iuu s ARG 398 CO -0.00 -0.23 0.62 0.08 -0.81 0.00 0.00 175.30 174.96 2iuu s VAL 399 N 1.54 4.87 -0.70 7.11 1.01 -1.26 -0.91 120.40 132.05 2iuu s VAL 399 Ca 0.06 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2iuu s VAL 399 Cb -0.15 -4.16 0.12 0.00 0.00 0.00 0.00 36.38 32.19 2iuu s VAL 399 CO 0.00 -0.51 0.84 -0.69 0.00 0.00 0.00 175.10 174.75 2iuu s VAL 400 N 2.73 4.81 0.66 2.92 1.01 0.79 -4.92 120.40 128.40 2iuu s VAL 400 Ca 0.22 -1.19 0.35 0.00 0.00 0.00 0.00 61.98 61.36 2iuu s VAL 400 Cb -0.14 -4.58 0.36 0.00 0.00 0.00 0.00 36.38 32.01 2iuu s VAL 400 CO 0.18 -1.25 2.09 -0.33 0.00 0.00 0.00 175.10 175.79 2iuu h GLU 401 N 9.01 0.00 -3.23 2.72 5.08 -1.95 -1.53 114.58 124.67 2iuu h GLU 401 Ca -0.15 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.96 2iuu h GLU 401 Cb 1.07 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.00 2iuu h GLU 401 CO 1.08 0.00 -0.60 0.54 -1.00 0.00 0.00 179.01 179.03 2iuu s VAL 402 N -4.19 -0.06 -0.34 3.13 0.11 -1.26 -4.81 120.40 112.98 2iuu s VAL 402 Ca -0.04 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2iuu s VAL 402 Cb 0.11 -0.25 0.09 0.00 -1.53 0.00 0.00 36.38 34.80 2iuu s VAL 402 CO 0.36 0.08 0.05 -0.63 -3.33 0.00 0.00 175.10 171.63 2iuu s ILE 403 N 1.25 2.49 -0.17 7.04 1.01 -1.25 -4.95 121.20 126.61 2iuu s ILE 403 Ca -0.08 -2.15 -0.30 0.00 0.00 0.00 0.00 60.65 58.12 2iuu s ILE 403 Cb -0.12 -2.74 -0.14 0.00 0.01 0.00 0.00 42.46 39.48 2iuu s ILE 403 CO -0.06 -0.52 0.91 -2.65 0.00 0.00 0.00 174.94 172.63 2iuu n PRO 404 N 4.36 0.00 0.00 2.79 -0.02 -1.26 -1.45 135.00 139.42 2iuu n PRO 404 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2iuu n PRO 404 Cb 0.42 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 2iuu n PRO 404 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iuu n GLY 405 N 1.89 1.87 3.94 -1.23 0.00 -1.26 -4.98 105.19 105.41 2iuu n GLY 405 Ca 0.17 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2iuu n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iuu s LYS 406 N 0.00 2.83 0.00 1.61 1.02 -0.53 -4.99 119.74 119.69 2iuu s LYS 406 Ca 0.00 -0.36 0.20 0.00 0.02 0.00 0.00 55.97 55.84 2iuu s LYS 406 Cb 0.00 -2.41 0.53 0.00 -0.52 0.00 0.00 37.83 35.43 2iuu s LYS 406 CO 0.00 -0.59 1.44 0.25 -0.92 0.00 0.00 175.35 175.53 2iuu n THR 407 N -2.38 0.87 -2.50 2.17 -2.24 -1.26 -4.67 114.28 104.27 2iuu n THR 407 Ca 0.04 -0.94 -0.23 0.00 -2.27 0.00 0.00 64.05 60.65 2iuu n THR 407 Cb 0.58 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.48 2iuu n THR 407 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2iuu s THR 408 N -1.10 2.76 0.24 4.28 -4.23 -1.26 -4.76 115.64 111.57 2iuu s THR 408 Ca 0.42 -0.45 0.12 0.00 -1.18 0.00 0.00 61.69 60.59 2iuu s THR 408 Cb 0.22 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 2iuu s THR 408 CO 0.29 -0.08 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.39 2iuu s VAL 409 N -2.93 2.41 0.06 2.29 1.01 -0.32 -3.86 120.40 119.07 2iuu s VAL 409 Ca 0.57 -2.24 0.09 0.00 0.00 0.00 0.00 61.98 60.41 2iuu s VAL 409 Cb -0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2iuu s VAL 409 CO 0.41 -0.27 -0.24 -0.83 0.00 0.00 0.00 175.10 174.16 2iuu s GLY 410 N -3.13 1.49 -0.16 4.51 0.00 -0.58 -0.11 107.32 109.34 2iuu s GLY 410 Ca 0.26 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 2iuu s GLY 410 CO 0.13 -1.20 -0.04 -0.42 0.00 0.00 0.00 173.10 171.56 2iuu s ILE 411 N -0.89 1.03 -0.47 0.90 1.01 -0.75 -0.15 121.20 121.88 2iuu s ILE 411 Ca 0.13 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 2iuu s ILE 411 Cb -0.10 -1.23 0.06 0.00 0.01 0.00 0.00 42.46 41.19 2iuu s ILE 411 CO 0.04 0.11 0.46 -1.61 0.00 0.00 0.00 174.94 173.94 2iuu s GLU 412 N 1.66 3.04 -0.13 2.79 2.02 -0.09 -0.67 118.70 127.33 2iuu s GLU 412 Ca 0.01 -1.11 -0.10 0.00 0.02 0.00 0.00 54.97 53.79 2iuu s GLU 412 Cb -0.15 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.94 2iuu s GLU 412 CO -0.08 -1.04 0.20 0.42 0.02 0.00 0.00 175.26 174.78 2iuu s ILE 413 N 2.00 5.39 0.19 -1.63 1.01 -0.49 -2.05 121.20 125.62 2iuu s ILE 413 Ca 0.08 0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.76 2iuu s ILE 413 Cb -0.21 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 2iuu s ILE 413 CO 0.09 0.54 1.46 -2.84 0.00 0.00 0.00 174.94 174.20 2iuu s PRO 414 N -0.49 4.27 0.47 2.79 0.02 -1.26 -1.15 135.00 139.65 2iuu s PRO 414 Ca 0.15 2.25 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 2iuu s PRO 414 Cb -0.13 -3.16 -0.07 0.00 0.02 0.00 0.00 34.50 31.16 2iuu s PRO 414 CO 0.04 -0.48 1.16 -0.80 -0.33 0.00 0.00 177.00 176.60 2iuu s ASN 415 N 0.80 6.13 0.22 2.53 0.02 -0.52 -4.90 114.94 119.21 2iuu s ASN 415 Ca 0.64 2.30 -0.08 0.00 -1.02 0.00 0.00 52.86 54.70 2iuu s ASN 415 Cb -0.41 -2.60 0.26 0.00 0.02 0.00 0.00 41.25 38.52 2iuu s ASN 415 CO 0.36 -0.94 1.82 -0.33 0.02 0.00 0.00 177.10 178.02 2iuu h GLU 416 N 1.98 0.72 -4.72 -0.60 5.08 -1.93 -3.35 114.58 111.76 2iuu h GLU 416 Ca -0.49 -0.04 -0.68 0.00 -1.00 0.00 0.00 59.36 57.14 2iuu h GLU 416 Cb 1.25 -0.16 -0.34 0.00 0.50 0.00 0.00 28.75 29.99 2iuu h GLU 416 CO 0.60 0.48 -0.69 -0.51 -1.00 0.00 0.00 179.01 177.89 2iuu s ASP 417 N -5.63 4.89 -0.15 1.42 1.01 -1.26 -5.07 116.67 111.89 2iuu s ASP 417 Ca -0.13 -1.51 -0.29 0.00 0.71 0.00 0.00 52.55 51.33 2iuu s ASP 417 Cb 0.17 -1.71 -0.01 0.00 1.01 0.00 0.00 42.92 42.38 2iuu s ASP 417 CO 0.77 -0.31 1.10 -0.60 0.21 0.00 0.00 175.17 176.33 2iuu s ARG 418 N 1.18 4.32 -0.08 8.23 3.52 -1.26 -4.93 118.95 129.94 2iuu s ARG 418 Ca -0.02 1.49 -0.17 0.00 -0.13 0.00 0.00 55.73 56.90 2iuu s ARG 418 Cb -0.20 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 2iuu s ARG 418 CO -0.03 -0.52 0.46 1.14 -0.81 0.00 0.00 175.30 175.55 2iuu s GLN 419 N 2.73 4.23 0.83 5.12 -2.07 -0.55 -5.02 119.66 124.93 2iuu s GLN 419 Ca 0.50 0.45 -0.10 0.00 -1.82 0.00 0.00 55.36 54.38 2iuu s GLN 419 Cb -0.19 -3.37 0.09 0.00 -1.09 0.00 0.00 33.01 28.45 2iuu s GLN 419 CO 0.14 0.32 1.11 1.41 -1.32 0.00 0.00 175.29 176.95 2iuu s MET 420 N 0.08 1.77 -0.22 9.60 -2.45 -1.26 -4.54 119.30 122.29 2iuu s MET 420 Ca 0.25 1.26 0.02 0.00 -1.25 0.00 0.00 55.69 55.97 2iuu s MET 420 Cb -0.16 -1.83 0.04 0.00 1.25 0.00 0.00 34.83 34.13 2iuu s MET 420 CO 0.11 -2.01 -0.14 0.08 1.05 0.00 0.00 175.02 174.11 2iuu s VAL 421 N -2.82 1.98 0.16 10.11 1.01 -1.26 -4.98 120.40 124.60 2iuu s VAL 421 Ca 0.63 -1.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2iuu s VAL 421 Cb -0.19 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 2iuu s VAL 421 CO 0.57 0.22 0.70 -0.13 0.00 0.00 0.00 175.10 176.46 2iuu s ARG 422 N 1.25 4.37 0.23 2.72 1.81 -1.26 0.50 118.95 128.56 2iuu s ARG 422 Ca -0.02 0.95 -0.07 0.00 -1.72 0.00 0.00 55.73 54.87 2iuu s ARG 422 Cb -0.17 -3.13 0.37 0.00 -0.45 0.00 0.00 34.95 31.57 2iuu s ARG 422 CO -0.09 0.53 1.74 0.35 -0.68 0.00 0.00 175.30 177.16 2iuu h PHE 423 N 4.09 0.46 -0.60 -0.53 -0.00 -1.74 0.52 116.94 119.15 2iuu h PHE 423 Ca -0.48 0.03 0.12 0.00 -0.00 0.00 0.00 57.97 57.65 2iuu h PHE 423 Cb 1.20 -0.10 -0.03 0.00 -0.00 0.00 0.00 35.95 37.02 2iuu h PHE 423 CO 0.65 0.09 0.41 0.66 -0.00 0.00 0.00 178.31 180.12 2iuu h SER 424 N 0.44 0.25 0.71 0.41 4.64 -1.88 0.19 113.55 118.32 2iuu h SER 424 Ca 0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2iuu h SER 424 Cb 0.49 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2iuu h SER 424 CO -0.35 0.14 0.00 -0.08 -0.87 0.00 0.00 176.83 175.67 2iuu h GLU 425 N 0.27 0.00 0.00 4.77 4.81 -1.20 -2.44 114.58 120.79 2iuu h GLU 425 Ca 0.28 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 59.06 2iuu h GLU 425 Cb 0.75 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.06 2iuu h GLU 425 CO -0.06 0.00 -2.53 0.28 -0.73 0.00 0.00 179.01 175.97 2iuu n VAL 426 N -2.72 1.51 0.30 0.32 0.31 0.61 -4.40 118.33 114.26 2iuu n VAL 426 Ca 0.01 -0.43 0.15 0.00 -0.01 0.00 0.00 64.34 64.05 2iuu n VAL 426 Cb 0.23 -1.78 0.67 0.00 -0.91 0.00 0.00 33.84 32.05 2iuu n VAL 426 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2iuu h LEU 427 N -0.78 0.00 -1.13 7.52 3.38 -1.38 -2.24 115.31 120.68 2iuu h LEU 427 Ca -0.68 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 2iuu h LEU 427 Cb 1.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 2iuu h LEU 427 CO -0.35 0.00 -0.04 0.77 0.09 0.00 0.00 178.44 178.90 2iuu h SER 428 N 0.00 0.00 -3.99 -0.43 4.64 -1.64 -3.39 113.55 108.74 2iuu h SER 428 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2iuu h SER 428 Cb 0.25 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.52 2iuu h SER 428 CO 0.00 0.04 0.19 -1.54 -0.87 0.00 0.00 176.83 174.65 2iuu n SER 429 N -3.14 0.62 0.17 4.97 3.41 -0.85 -4.85 113.62 113.96 2iuu n SER 429 Ca 0.01 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.25 2iuu n SER 429 Cb 0.37 -1.45 0.27 0.00 -0.26 0.00 0.00 64.21 63.14 2iuu n SER 429 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2iuu h PRO 430 N -0.73 0.00 -0.59 4.33 0.13 -1.90 -2.21 132.00 131.03 2iuu h PRO 430 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2iuu h PRO 430 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2iuu h PRO 430 CO 0.45 0.47 0.33 0.93 -0.23 0.00 0.00 178.00 179.95 2iuu h GLU 431 N 0.00 0.82 -0.00 0.86 3.07 -1.94 0.95 114.58 118.34 2iuu h GLU 431 Ca -0.00 -0.09 -0.25 0.00 -0.50 0.00 0.00 59.36 58.51 2iuu h GLU 431 Cb 0.97 -0.16 0.02 0.00 -0.84 0.00 0.00 28.75 28.73 2iuu h GLU 431 CO 0.06 0.62 -1.01 -0.92 -1.40 0.00 0.00 179.01 176.36 2iuu h TYR 432 N 0.80 0.91 -0.03 4.33 3.20 -1.84 -2.73 116.97 121.61 2iuu h TYR 432 Ca 0.21 -0.49 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 2iuu h TYR 432 Cb 0.03 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2iuu h TYR 432 CO -0.01 1.33 0.01 0.22 -1.64 0.00 0.00 178.16 178.07 2iuu h ASP 433 N 0.35 0.03 -0.06 -2.11 1.82 -1.16 -2.94 116.42 112.35 2iuu h ASP 433 Ca -0.11 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2iuu h ASP 433 Cb 1.66 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.66 2iuu h ASP 433 CO 0.19 0.12 0.00 -0.62 -1.61 0.00 0.00 179.24 177.32 2iuu n GLU 434 N -5.02 1.43 -1.78 0.28 1.02 0.31 -4.92 120.64 111.96 2iuu n GLU 434 Ca -0.07 -0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 56.01 2iuu n GLU 434 Cb 0.07 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2iuu n GLU 434 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2iuu s HIS 435 N -1.93 2.90 -1.46 -0.32 2.46 -1.03 -4.91 115.29 111.00 2iuu s HIS 435 Ca 0.35 0.50 0.26 0.00 0.47 0.00 0.00 55.06 56.65 2iuu s HIS 435 Cb 0.18 -4.08 0.69 0.00 -0.13 0.00 0.00 32.58 29.24 2iuu s HIS 435 CO 0.29 -3.98 1.53 1.17 -2.47 0.00 0.00 174.74 171.28 2iuu n LYS 436 N 3.54 0.51 -2.48 2.88 4.81 -1.26 -4.95 118.16 121.21 2iuu n LYS 436 Ca 0.14 -0.29 -0.33 0.00 -0.87 0.00 0.00 58.31 56.96 2iuu n LYS 436 Cb 0.36 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 2iuu n LYS 436 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2iuu s SER 437 N -2.69 6.53 0.23 3.14 0.15 -1.26 -4.96 113.70 114.84 2iuu s SER 437 Ca 0.19 1.70 0.25 0.00 0.70 0.00 0.00 55.95 58.79 2iuu s SER 437 Cb 0.19 -2.53 0.58 0.00 -1.71 0.00 0.00 66.02 62.55 2iuu s SER 437 CO 0.58 -0.65 1.61 0.71 1.20 0.00 0.00 173.24 176.70 2iuu h THR 438 N 1.21 0.00 -2.10 6.45 1.35 -1.92 -3.37 112.91 114.53 2iuu h THR 438 Ca -0.48 -0.61 -0.53 0.00 -0.55 0.00 0.00 66.41 64.25 2iuu h THR 438 Cb 1.19 1.49 -0.41 0.00 -1.73 0.00 0.00 68.15 68.70 2iuu h THR 438 CO 0.60 0.00 -0.98 1.33 -0.25 0.00 0.00 175.52 176.22 2iuu n VAL 439 N -2.41 0.92 -2.59 6.82 0.24 -1.26 -4.55 118.33 115.50 2iuu n VAL 439 Ca 0.04 -4.87 -0.33 0.00 -2.04 0.00 0.00 64.34 57.14 2iuu n VAL 439 Cb 0.46 -0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 31.87 2iuu n VAL 439 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2iuu s PRO 440 N -2.62 3.99 -0.21 7.34 0.04 -1.26 -2.11 135.00 140.17 2iuu s PRO 440 Ca 0.42 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2iuu s PRO 440 Cb 0.30 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.75 2iuu s PRO 440 CO -0.10 -0.25 -0.04 -0.51 0.04 0.00 0.00 177.00 176.14 2iuu s LEU 441 N -3.57 2.18 -0.49 -3.56 1.43 0.68 -4.01 118.68 111.34 2iuu s LEU 441 Ca 0.63 -1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2iuu s LEU 441 Cb -0.12 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.09 2iuu s LEU 441 CO 0.21 -0.23 0.77 0.00 0.23 0.00 0.00 176.35 177.33 2iuu s ALA 442 N 1.50 3.28 0.02 4.21 0.00 -1.26 0.03 121.76 129.54 2iuu s ALA 442 Ca -0.04 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 2iuu s ALA 442 Cb -0.18 -3.49 -0.34 0.00 0.00 0.00 0.00 23.12 19.11 2iuu s ALA 442 CO -0.07 -2.05 0.94 -0.07 0.00 0.00 0.00 175.76 174.52 2iuu h LEU 443 N 10.19 0.76 0.00 0.00 3.38 -1.38 -3.44 115.31 124.82 2iuu h LEU 443 Ca -0.26 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 56.84 2iuu h LEU 443 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2iuu h LEU 443 CO 0.98 1.69 0.00 0.61 0.09 0.00 0.00 178.44 181.82 2iuu n GLY 444 N 1.73 -0.18 3.47 0.83 0.00 -1.24 -2.44 105.19 107.37 2iuu n GLY 444 Ca -0.18 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 2iuu n GLY 444 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iuu s HIS 445 N -4.00 2.63 1.17 1.61 3.76 -0.70 -0.63 115.29 119.13 2iuu s HIS 445 Ca 0.00 -0.21 -0.20 0.00 -0.15 0.00 0.00 55.06 54.50 2iuu s HIS 445 Cb 0.00 -1.53 0.28 0.00 1.11 0.00 0.00 32.58 32.44 2iuu s HIS 445 CO 0.00 0.24 1.19 0.16 -0.85 0.00 0.00 174.74 175.48 2iuu s ASP 446 N -1.21 1.27 0.24 1.40 1.47 0.15 0.02 116.67 120.01 2iuu s ASP 446 Ca 0.14 0.39 0.15 0.00 1.18 0.00 0.00 52.55 54.41 2iuu s ASP 446 Cb -0.11 -0.47 0.84 0.00 -0.34 0.00 0.00 42.92 42.85 2iuu s ASP 446 CO 0.04 -3.89 1.46 2.30 0.68 0.00 0.00 175.17 175.77 2iuu n ILE 447 N -4.56 1.24 -0.21 2.11 -6.64 -1.25 -1.15 119.36 108.90 2iuu n ILE 447 Ca 0.16 0.68 0.09 0.00 -1.77 0.00 0.00 62.75 61.91 2iuu n ILE 447 Cb 0.60 -1.68 0.24 0.00 -1.44 0.00 0.00 39.64 37.36 2iuu n ILE 447 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2iuu n GLY 448 N -1.34 2.44 1.50 3.28 0.00 -1.26 -3.99 105.19 105.81 2iuu n GLY 448 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2iuu n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iuu n GLY 449 N 1.18 1.47 3.76 -0.02 0.00 -0.30 -4.86 105.19 106.42 2iuu n GLY 449 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2iuu n GLY 449 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iuu s ARG 450 N -0.50 4.73 0.24 1.61 0.52 -1.26 -4.66 118.95 119.63 2iuu s ARG 450 Ca 0.00 1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 2iuu s ARG 450 Cb 0.00 -3.19 -0.09 0.00 0.52 0.00 0.00 34.95 32.19 2iuu s ARG 450 CO 0.00 0.36 1.24 -1.25 0.02 0.00 0.00 175.30 175.67 2iuu s PRO 451 N -1.39 4.46 -0.36 3.54 0.04 -1.26 0.32 135.00 140.35 2iuu s PRO 451 Ca 0.44 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.43 2iuu s PRO 451 Cb -0.28 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.15 2iuu s PRO 451 CO 0.35 -0.10 0.12 0.42 0.04 0.00 0.00 177.00 177.83 2iuu s ILE 452 N -0.49 3.53 -0.16 0.56 -1.09 0.20 -4.87 121.20 118.88 2iuu s ILE 452 Ca 0.51 -1.45 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2iuu s ILE 452 Cb -0.35 -3.13 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2iuu s ILE 452 CO 0.42 -0.33 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.05 2iuu s ILE 453 N 1.31 2.97 0.47 2.92 1.09 -1.26 -0.86 121.20 127.84 2iuu s ILE 453 Ca 0.00 -0.67 0.04 0.00 -1.10 0.00 0.00 60.65 58.92 2iuu s ILE 453 Cb -0.21 -2.27 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 2iuu s ILE 453 CO 0.00 0.50 0.02 0.42 -0.10 0.00 0.00 174.94 175.79 2iuu s THR 454 N 0.72 1.54 -0.29 2.92 -4.23 0.10 -4.94 115.64 111.46 2iuu s THR 454 Ca -0.06 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 2iuu s THR 454 Cb -0.15 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.26 2iuu s THR 454 CO 0.02 0.00 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.46 2iuu s ASP 455 N -3.83 4.44 0.26 3.99 3.68 -1.26 -0.23 116.67 123.72 2iuu s ASP 455 Ca 0.19 -1.70 -0.02 0.00 2.13 0.00 0.00 52.55 53.15 2iuu s ASP 455 Cb 0.05 -1.46 0.54 0.00 -1.45 0.00 0.00 42.92 40.61 2iuu s ASP 455 CO 0.10 -0.30 1.71 0.25 0.13 0.00 0.00 175.17 177.06 2iuu h LEU 456 N 7.76 0.24 -2.45 -1.34 6.46 -1.76 0.22 115.31 124.45 2iuu h LEU 456 Ca -0.12 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2iuu h LEU 456 Cb 1.03 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2iuu h LEU 456 CO 0.48 0.04 0.02 0.00 -0.62 0.00 0.00 178.44 178.36 2iuu h ALA 457 N 1.61 1.02 -0.01 1.25 0.00 -1.86 -1.36 119.26 119.91 2iuu h ALA 457 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2iuu h ALA 457 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2iuu h ALA 457 CO -0.47 -0.02 -0.38 1.63 0.00 0.00 0.00 179.25 180.01 2iuu n LYS 458 N -2.81 1.49 -0.03 0.00 4.76 0.76 -4.64 118.16 117.69 2iuu n LYS 458 Ca -0.02 -0.94 -0.12 0.00 -2.87 0.00 0.00 58.31 54.36 2iuu n LYS 458 Cb 0.08 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 31.83 2iuu n LYS 458 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2iuu h MET 459 N 2.18 0.18 -0.37 1.97 2.86 -0.93 -3.47 114.93 117.35 2iuu h MET 459 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2iuu h MET 459 Cb 0.65 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2iuu h MET 459 CO 0.00 0.48 0.00 -0.35 1.06 0.00 0.00 176.91 178.10 2iuu n PRO 460 N -4.78 3.38 -3.84 -0.22 -0.04 -1.26 -4.24 135.00 123.99 2iuu n PRO 460 Ca -0.06 -2.81 -0.11 0.00 -0.04 0.00 0.00 63.50 60.47 2iuu n PRO 460 Cb 0.23 -1.86 -0.09 0.00 -0.04 0.00 0.00 33.50 31.74 2iuu n PRO 460 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2iuu s HIS 461 N -2.49 0.02 -0.03 0.54 3.76 -1.26 -4.19 115.29 111.63 2iuu s HIS 461 Ca 0.43 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.21 2iuu s HIS 461 Cb 0.33 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 34.00 2iuu s HIS 461 CO 0.13 -0.38 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.36 2iuu s LEU 462 N -1.75 1.78 -0.16 0.89 2.96 0.12 -4.03 118.68 118.50 2iuu s LEU 462 Ca -0.09 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2iuu s LEU 462 Cb -0.04 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 2iuu s LEU 462 CO -0.01 0.08 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.29 2iuu s LEU 463 N 0.23 3.17 -0.07 -0.68 1.43 -0.90 -0.64 118.68 121.22 2iuu s LEU 463 Ca -0.05 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2iuu s LEU 463 Cb -0.10 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2iuu s LEU 463 CO 0.01 0.16 -0.11 -0.69 0.23 0.00 0.00 176.35 175.94 2iuu s VAL 464 N 0.43 1.12 0.04 -1.59 1.01 0.16 -0.87 120.40 120.70 2iuu s VAL 464 Ca -0.04 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2iuu s VAL 464 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2iuu s VAL 464 CO 0.03 0.36 -0.09 0.00 0.00 0.00 0.00 175.10 175.40 2iuu s ALA 465 N 0.83 0.70 0.00 5.51 0.00 -0.86 -0.37 121.76 127.57 2iuu s ALA 465 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2iuu s ALA 465 Cb -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2iuu s ALA 465 CO 0.02 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2iuu n GLY 466 N 1.63 1.20 3.73 0.00 0.00 -0.68 -0.38 105.19 110.69 2iuu n GLY 466 Ca -0.21 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2iuu n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2iuu s THR 467 N -0.21 2.55 0.26 2.61 -4.23 -0.68 -4.08 115.64 111.86 2iuu s THR 467 Ca 0.00 0.18 -0.31 0.00 -1.18 0.00 0.00 61.69 60.38 2iuu s THR 467 Cb 0.00 -2.73 -0.12 0.00 1.34 0.00 0.00 72.50 70.99 2iuu s THR 467 CO 0.00 -0.23 1.55 0.35 -0.54 0.00 0.00 174.62 175.75 2iuu n THR 468 N -3.87 0.87 -0.01 3.99 -2.24 -1.26 -1.58 114.28 110.18 2iuu n THR 468 Ca 0.07 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2iuu n THR 468 Cb 0.56 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 2iuu n THR 468 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iuu n GLY 469 N 2.37 0.27 0.17 3.38 0.00 -1.26 -4.94 105.19 105.19 2iuu n GLY 469 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 2iuu n GLY 469 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iuu h SER 470 N 0.00 0.00 0.00 1.61 4.64 -1.57 -3.23 113.55 114.99 2iuu h SER 470 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iuu h SER 470 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2iuu h SER 470 CO 0.00 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 2iuu n GLY 471 N 0.77 1.62 0.18 -0.77 0.00 -1.26 -0.20 105.19 105.53 2iuu n GLY 471 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2iuu n GLY 471 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2iuu h LYS 472 N 0.00 0.58 -0.34 1.61 3.64 -1.89 -2.33 116.57 117.84 2iuu h LYS 472 Ca 0.00 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2iuu h LYS 472 Cb 0.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2iuu h LYS 472 CO 0.00 0.89 0.21 0.77 -2.27 0.00 0.00 179.45 179.05 2iuu h SER 473 N 0.28 0.40 -0.41 4.20 0.02 -1.96 -0.82 113.55 115.27 2iuu h SER 473 Ca 0.04 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iuu h SER 473 Cb 0.78 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2iuu h SER 473 CO 0.06 0.32 0.25 0.58 -1.14 0.00 0.00 176.83 176.90 2iuu h VAL 474 N 0.44 1.13 -0.01 2.27 2.07 -1.91 -1.48 116.25 118.77 2iuu h VAL 474 Ca 0.12 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2iuu h VAL 474 Cb -0.01 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2iuu h VAL 474 CO -0.02 0.13 0.01 1.23 0.02 0.00 0.00 177.57 178.93 2iuu h GLY 475 N 0.55 0.00 1.13 2.17 0.00 -0.98 0.23 103.07 106.16 2iuu h GLY 475 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.25 2iuu h GLY 475 CO -0.03 0.00 -0.83 -2.08 0.00 0.00 0.00 176.54 173.61 2iuu h VAL 476 N 0.00 1.30 -0.73 4.60 2.07 -0.56 -1.68 116.25 121.24 2iuu h VAL 476 Ca 0.00 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2iuu h VAL 476 Cb 0.02 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2iuu h VAL 476 CO -0.00 0.64 0.42 0.78 0.02 0.00 0.00 177.57 179.43 2iuu h ASN 477 N 0.41 0.90 -0.88 0.57 2.35 -0.08 0.67 115.58 119.51 2iuu h ASN 477 Ca -0.08 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 2iuu h ASN 477 Cb 1.47 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.57 2iuu h ASN 477 CO 0.17 0.71 0.58 0.00 -1.65 0.00 0.00 177.43 177.24 2iuu h ALA 478 N 1.22 1.42 -0.07 -0.83 0.00 -0.52 0.15 119.26 120.63 2iuu h ALA 478 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2iuu h ALA 478 Cb -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2iuu h ALA 478 CO -0.05 0.51 0.01 0.52 0.00 0.00 0.00 179.25 180.24 2iuu h MET 479 N 1.13 0.12 -0.39 0.00 2.86 -0.20 -1.39 114.93 117.06 2iuu h MET 479 Ca 0.34 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 2iuu h MET 479 Cb -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2iuu h MET 479 CO -0.09 0.35 0.18 -0.07 1.06 0.00 0.00 176.91 178.34 2iuu h LEU 480 N -0.13 0.51 -1.33 1.22 3.38 -0.39 -2.46 115.31 116.11 2iuu h LEU 480 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2iuu h LEU 480 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2iuu h LEU 480 CO 0.00 0.50 0.15 -0.07 0.09 0.00 0.00 178.44 179.11 2iuu h LEU 481 N 0.49 0.55 -1.20 1.67 4.07 -0.73 -0.48 115.31 119.68 2iuu h LEU 481 Ca 0.13 -0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.13 2iuu h LEU 481 Cb 0.13 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.66 2iuu h LEU 481 CO -0.02 0.51 0.58 0.28 -1.08 0.00 0.00 178.44 178.71 2iuu h SER 482 N 0.60 0.80 0.24 -0.43 0.02 -0.77 0.46 113.55 114.48 2iuu h SER 482 Ca 0.14 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2iuu h SER 482 Cb 0.15 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2iuu h SER 482 CO -0.01 0.47 -0.12 0.40 -1.14 0.00 0.00 176.83 176.44 2iuu h ILE 483 N 0.89 0.44 -0.17 3.27 1.08 -1.12 -3.28 117.51 118.62 2iuu h ILE 483 Ca 0.41 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 64.01 2iuu h ILE 483 Cb 0.40 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2iuu h ILE 483 CO -0.18 0.12 0.32 -0.07 -0.69 0.00 0.00 178.15 177.65 2iuu h LEU 484 N -0.99 0.00 -0.79 1.44 3.38 -0.78 0.20 115.31 117.76 2iuu h LEU 484 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iuu h LEU 484 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2iuu h LEU 484 CO 0.05 0.00 -0.10 0.49 0.09 0.00 0.00 178.44 178.97 2iuu n PHE 485 N -3.36 0.00 0.00 1.13 0.99 0.12 -4.35 117.46 111.99 2iuu n PHE 485 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2iuu n PHE 485 Cb 0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 38.86 2iuu n PHE 485 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2iuu n LYS 486 N -0.13 2.58 -4.27 -1.08 4.81 0.47 -4.95 118.16 115.58 2iuu n LYS 486 Ca 0.16 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.37 2iuu n LYS 486 Cb 0.36 -0.78 -0.12 0.00 0.02 0.00 0.00 35.03 34.50 2iuu n LYS 486 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2iuu s SER 487 N -1.31 2.42 0.30 3.14 0.01 0.09 -5.03 113.70 113.33 2iuu s SER 487 Ca 0.00 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.60 2iuu s SER 487 Cb 0.00 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 2iuu s SER 487 CO 0.00 0.04 0.46 0.42 0.41 0.00 0.00 173.24 174.57 2iuu s THR 488 N -1.20 5.17 0.63 1.44 -4.23 -1.26 -4.66 115.64 111.53 2iuu s THR 488 Ca 0.05 -0.71 0.25 0.00 -1.18 0.00 0.00 61.69 60.11 2iuu s THR 488 Cb -0.10 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.18 2iuu s THR 488 CO 0.04 -0.45 1.74 -0.65 -0.54 0.00 0.00 174.62 174.75 2iuu h PRO 489 N 0.94 0.00 -0.00 3.99 0.11 -1.89 0.35 132.00 135.49 2iuu h PRO 489 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2iuu h PRO 489 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2iuu h PRO 489 CO 0.61 0.00 -0.28 -1.13 -0.21 0.00 0.00 178.00 176.99 2iuu n SER 490 N -3.15 0.67 -0.03 -2.05 3.41 -1.26 -3.88 113.62 107.33 2iuu n SER 490 Ca 0.04 -0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 58.11 2iuu n SER 490 Cb 0.66 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.61 2iuu n SER 490 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iuu n GLU 491 N -1.03 1.58 -3.69 4.33 1.02 0.11 -3.99 120.64 118.97 2iuu n GLU 491 Ca 0.10 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2iuu n GLU 491 Cb 0.33 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.38 2iuu n GLU 491 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iuu s ALA 492 N -2.44 -1.04 0.26 0.62 0.00 -0.66 -1.20 121.76 117.31 2iuu s ALA 492 Ca -0.05 1.50 0.11 0.00 0.00 0.00 0.00 51.96 53.53 2iuu s ALA 492 Cb 0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 2iuu s ALA 492 CO 0.43 -0.34 -0.13 1.03 0.00 0.00 0.00 175.76 176.75 2iuu s ARG 493 N 1.59 1.89 0.04 0.00 1.81 0.33 -4.16 118.95 120.45 2iuu s ARG 493 Ca -0.08 -1.61 0.04 0.00 -1.72 0.00 0.00 55.73 52.35 2iuu s ARG 493 Cb -0.09 -1.92 -0.02 0.00 -0.45 0.00 0.00 34.95 32.47 2iuu s ARG 493 CO -0.13 0.35 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.22 2iuu s LEU 494 N -3.47 2.19 -0.17 2.53 1.43 0.26 -1.25 118.68 120.20 2iuu s LEU 494 Ca 0.30 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2iuu s LEU 494 Cb -0.06 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.76 2iuu s LEU 494 CO 0.16 -0.05 -0.11 -0.63 0.23 0.00 0.00 176.35 175.96 2iuu s ILE 495 N -0.98 1.51 -0.22 -0.59 1.01 0.36 -0.82 121.20 121.46 2iuu s ILE 495 Ca -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2iuu s ILE 495 Cb -0.08 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.84 2iuu s ILE 495 CO 0.01 0.27 -0.06 -0.04 0.00 0.00 0.00 174.94 175.12 2iuu s MET 496 N 1.47 3.25 -0.27 2.79 -1.94 -1.26 -1.23 119.30 122.11 2iuu s MET 496 Ca 0.01 -0.70 -0.07 0.00 -1.71 0.00 0.00 55.69 53.22 2iuu s MET 496 Cb -0.15 -2.97 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 2iuu s MET 496 CO -0.09 -0.23 0.07 0.42 -0.01 0.00 0.00 175.02 175.18 2iuu s ILE 497 N 1.44 4.08 -0.64 2.53 1.01 -0.33 0.61 121.20 129.91 2iuu s ILE 497 Ca 0.05 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2iuu s ILE 497 Cb -0.14 -3.01 0.16 0.00 0.01 0.00 0.00 42.46 39.48 2iuu s ILE 497 CO -0.04 0.21 0.43 -0.62 0.00 0.00 0.00 174.94 174.92 2iuu s ASP 498 N 1.55 4.36 0.60 3.58 3.68 0.03 -1.38 116.67 129.09 2iuu s ASP 498 Ca 0.05 -3.60 0.24 0.00 2.13 0.00 0.00 52.55 51.37 2iuu s ASP 498 Cb -0.16 -1.49 1.33 0.00 -1.45 0.00 0.00 42.92 41.15 2iuu s ASP 498 CO 0.03 -0.12 1.73 1.55 0.13 0.00 0.00 175.17 178.48 2iuu h PRO 499 N 5.65 0.00 -4.82 4.34 0.13 -1.85 -3.26 132.00 132.18 2iuu h PRO 499 Ca 0.12 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.57 2iuu h PRO 499 Cb 0.80 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.59 2iuu h PRO 499 CO 0.67 0.00 -0.74 0.15 -0.23 0.00 0.00 178.00 177.85 2iuu s LYS 500 N -3.94 2.47 0.00 0.86 1.02 -1.26 -4.96 119.74 113.92 2iuu s LYS 500 Ca -0.03 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2iuu s LYS 500 Cb 0.07 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 2iuu s LYS 500 CO 0.22 -0.56 0.00 -1.33 -0.92 0.00 0.00 175.35 172.76 2iuu n MET 501 N 4.58 0.00 0.00 1.68 2.81 -1.23 -3.99 117.12 120.98 2iuu n MET 501 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2iuu n MET 501 Cb 0.44 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2iuu n MET 501 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2iuu n LEU 502 N 0.91 0.00 -0.36 4.03 0.00 -1.26 -4.70 117.00 115.61 2iuu n LEU 502 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 2iuu n LEU 502 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 2iuu n LEU 502 CO 0.00 0.00 0.46 -0.62 0.00 0.00 0.00 177.39 177.23 2iuu n GLU 503 N 0.00 -0.32 0.00 1.96 -0.58 -1.26 -2.35 120.64 118.09 2iuu n GLU 503 Ca 0.00 1.35 0.13 0.00 -0.42 0.00 0.00 57.16 58.22 2iuu n GLU 503 Cb 0.00 -1.99 0.48 0.00 -0.57 0.00 0.00 31.44 29.36 2iuu n GLU 503 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2iuu n LEU 504 N -5.18 0.21 0.09 -4.62 4.77 -1.26 -3.83 117.00 107.17 2iuu n LEU 504 Ca 0.04 0.33 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 2iuu n LEU 504 Cb 0.28 -0.41 0.36 0.00 -2.33 0.00 0.00 43.42 41.33 2iuu n LEU 504 CO -0.13 0.03 0.73 -1.20 -1.33 0.00 0.00 177.39 175.49 2iuu n SER 505 N -1.54 0.35 0.13 -1.43 7.64 -0.99 -1.62 113.62 116.15 2iuu n SER 505 Ca 0.06 0.63 0.13 0.00 1.01 0.00 0.00 58.87 60.70 2iuu n SER 505 Cb 0.34 -0.69 0.45 0.00 -1.01 0.00 0.00 64.21 63.31 2iuu n SER 505 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2iuu h ILE 506 N 0.00 0.00 -0.19 0.44 -0.00 -1.75 -3.06 117.51 112.96 2iuu h ILE 506 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 64.86 64.49 2iuu h ILE 506 Cb 0.11 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.17 2iuu h ILE 506 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 176.93 2iuu n TYR 507 N -2.32 0.23 -1.58 2.19 4.02 -0.64 -4.94 117.16 114.11 2iuu n TYR 507 Ca 0.04 -0.11 -0.46 0.00 -0.01 0.00 0.00 57.90 57.36 2iuu n TYR 507 Cb 0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.63 2iuu n TYR 507 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2iuu n GLU 508 N 0.83 1.28 0.00 -0.72 4.07 -1.16 -2.58 120.64 122.36 2iuu n GLU 508 Ca 0.17 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 57.72 2iuu n GLU 508 Cb 0.46 -1.85 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 2iuu n GLU 508 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iuu n GLY 509 N 1.48 3.21 3.73 8.31 0.00 -1.26 -5.04 105.19 115.62 2iuu n GLY 509 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2iuu n GLY 509 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2iuu n ILE 510 N -1.78 2.71 0.28 -0.61 -5.35 -1.06 -3.63 119.36 109.91 2iuu n ILE 510 Ca 0.00 -0.50 0.17 0.00 -0.27 0.00 0.00 62.75 62.15 2iuu n ILE 510 Cb 0.00 -1.71 0.92 0.00 -1.74 0.00 0.00 39.64 37.11 2iuu n ILE 510 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2iuu h PRO 511 N 2.18 0.00 0.00 6.28 0.13 -1.77 -2.79 132.00 136.03 2iuu h PRO 511 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2iuu h PRO 511 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2iuu h PRO 511 CO 0.60 0.00 -0.36 0.45 -0.23 0.00 0.00 178.00 178.46 2iuu h HIS 512 N 0.00 0.00 -2.70 1.56 3.86 -1.88 -3.37 115.15 112.62 2iuu h HIS 512 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2iuu h HIS 512 Cb 0.15 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.68 2iuu h HIS 512 CO 0.00 0.36 0.98 -0.51 0.86 0.00 0.00 177.93 179.63 2iuu s LEU 513 N -6.88 4.37 0.16 2.43 1.43 -1.05 -0.57 118.68 118.56 2iuu s LEU 513 Ca 0.01 2.80 0.26 0.00 -1.03 0.00 0.00 54.13 56.17 2iuu s LEU 513 Cb 0.10 -3.60 0.71 0.00 0.03 0.00 0.00 46.19 43.43 2iuu s LEU 513 CO 0.69 -0.94 1.65 0.18 0.23 0.00 0.00 176.35 178.16 2iuu n LEU 514 N 4.03 0.70 -3.80 1.79 4.77 -0.00 -4.36 117.00 120.11 2iuu n LEU 514 Ca 0.15 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.54 2iuu n LEU 514 Cb 0.36 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2iuu n LEU 514 CO 0.63 -0.12 0.68 0.00 -1.33 0.00 0.00 177.39 177.26 2iuu s PRO 516 N -3.04 0.69 0.02 0.00 0.02 -1.26 -4.83 135.00 126.61 2iuu s PRO 516 Ca 0.14 1.06 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 2iuu s PRO 516 Cb -0.03 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.69 2iuu s PRO 516 CO 0.05 -2.70 1.87 0.08 -0.33 0.00 0.00 177.00 175.97 2iuu s VAL 517 N -2.73 3.14 -0.17 3.83 1.01 -1.26 -4.72 120.40 119.51 2iuu s VAL 517 Ca 0.65 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 2iuu s VAL 517 Cb -0.21 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2iuu s VAL 517 CO 0.59 -0.02 1.49 -0.69 0.00 0.00 0.00 175.10 176.47 2iuu s VAL 518 N 4.19 3.88 -0.13 2.92 1.01 0.20 -4.88 120.40 127.59 2iuu s VAL 518 Ca 0.84 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2iuu s VAL 518 Cb -0.40 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 2iuu s VAL 518 CO 0.38 -0.20 -0.03 0.41 0.00 0.00 0.00 175.10 175.66 2iuu n THR 519 N 5.82 0.84 -2.80 3.92 -1.04 -1.26 -0.79 114.28 118.97 2iuu n THR 519 Ca 0.16 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 2iuu n THR 519 Cb 0.45 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 68.10 2iuu n THR 519 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2iuu s ASP 520 N -4.87 7.04 0.35 8.00 2.15 -1.26 -4.73 116.67 123.34 2iuu s ASP 520 Ca -0.12 1.28 0.05 0.00 0.43 0.00 0.00 52.55 54.20 2iuu s ASP 520 Cb 0.04 -2.49 0.63 0.00 -0.30 0.00 0.00 42.92 40.80 2iuu s ASP 520 CO 0.43 -0.47 1.88 0.24 -0.17 0.00 0.00 175.17 177.09 2iuu h MET 521 N 7.32 0.49 -0.92 4.34 2.86 -1.96 -1.31 114.93 125.75 2iuu h MET 521 Ca -0.27 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2iuu h MET 521 Cb 1.12 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 2iuu h MET 521 CO 0.87 0.52 0.53 0.87 1.06 0.00 0.00 176.91 180.76 2iuu h LYS 522 N 0.47 1.26 -0.62 1.72 1.79 -1.96 -0.69 116.57 118.54 2iuu h LYS 522 Ca 0.10 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2iuu h LYS 522 Cb 0.32 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2iuu h LYS 522 CO 0.01 0.90 0.05 0.93 -1.08 0.00 0.00 179.45 180.26 2iuu h GLU 523 N 1.28 1.06 -0.82 3.15 5.08 -1.66 -2.25 114.58 120.43 2iuu h GLU 523 Ca 0.33 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2iuu h GLU 523 Cb -0.02 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2iuu h GLU 523 CO -0.06 1.01 0.54 0.00 -1.00 0.00 0.00 179.01 179.50 2iuu h ALA 524 N 1.01 1.56 -0.54 3.43 0.00 -0.36 0.49 119.26 124.86 2iuu h ALA 524 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2iuu h ALA 524 Cb 0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2iuu h ALA 524 CO 0.02 0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.93 2iuu h ALA 525 N 1.54 0.68 -0.74 0.00 0.00 -0.57 -1.59 119.26 118.59 2iuu h ALA 525 Ca 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2iuu h ALA 525 Cb 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2iuu h ALA 525 CO -0.11 0.16 0.26 -0.91 0.00 0.00 0.00 179.25 178.65 2iuu h ASN 526 N 0.72 1.05 -0.92 0.00 2.35 -0.73 -0.10 115.58 117.94 2iuu h ASN 526 Ca 0.19 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2iuu h ASN 526 Cb -0.02 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.02 2iuu h ASN 526 CO -0.04 0.96 0.60 0.00 -1.65 0.00 0.00 177.43 177.31 2iuu h ALA 527 N 1.18 1.41 -0.38 -0.83 0.00 -0.38 0.63 119.26 120.90 2iuu h ALA 527 Ca 0.24 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2iuu h ALA 527 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2iuu h ALA 527 CO -0.01 0.50 -0.33 -0.07 0.00 0.00 0.00 179.25 179.33 2iuu h LEU 528 N 1.16 0.95 -0.57 0.00 3.38 -0.60 -0.72 115.31 118.91 2iuu h LEU 528 Ca 0.36 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2iuu h LEU 528 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2iuu h LEU 528 CO -0.11 1.21 0.27 0.03 0.09 0.00 0.00 178.44 179.92 2iuu h ARG 529 N 0.71 0.83 -0.54 1.13 3.08 -0.10 -1.56 114.38 117.93 2iuu h ARG 529 Ca 0.07 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.05 2iuu h ARG 529 Cb 0.92 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 2iuu h ARG 529 CO 0.09 0.69 0.25 2.35 -1.07 0.00 0.00 179.97 182.27 2iuu h TRP 530 N 0.78 0.45 -0.71 3.04 7.01 0.54 -1.26 115.95 125.79 2iuu h TRP 530 Ca 0.20 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.22 2iuu h TRP 530 Cb 0.14 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 2iuu h TRP 530 CO 0.00 0.19 0.44 0.77 -2.79 0.00 0.00 178.44 177.06 2iuu h SER 531 N 0.47 0.84 -0.59 2.65 0.02 -0.64 0.28 113.55 116.59 2iuu h SER 531 Ca 0.25 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 2iuu h SER 531 Cb 0.20 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2iuu h SER 531 CO -0.20 0.63 -0.01 0.58 -1.14 0.00 0.00 176.83 176.69 2iuu h VAL 532 N 0.98 1.27 0.27 2.27 2.07 -0.27 -0.43 116.25 122.40 2iuu h VAL 532 Ca 0.26 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2iuu h VAL 532 Cb -0.07 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2iuu h VAL 532 CO -0.05 0.42 -0.13 0.00 0.02 0.00 0.00 177.57 177.83 2iuu h ALA 533 N 0.97 -0.36 -0.93 1.67 0.00 -0.43 -0.09 119.26 120.08 2iuu h ALA 533 Ca 0.16 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2iuu h ALA 533 Cb 0.57 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2iuu h ALA 533 CO 0.03 -0.61 0.59 1.49 0.00 0.00 0.00 179.25 180.76 2iuu h GLU 534 N -0.56 0.75 -0.17 0.00 4.57 -0.43 0.29 114.58 119.04 2iuu h GLU 534 Ca -0.04 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2iuu h GLU 534 Cb 0.41 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2iuu h GLU 534 CO 0.06 0.50 0.06 1.98 -1.18 0.00 0.00 179.01 180.43 2iuu h MET 535 N 0.78 0.26 -0.70 1.92 4.05 -0.72 -1.16 114.93 119.36 2iuu h MET 535 Ca 0.47 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.83 2iuu h MET 535 Cb 0.67 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 2iuu h MET 535 CO -0.23 0.37 0.40 0.93 0.23 0.00 0.00 176.91 178.60 2iuu h GLU 536 N 0.10 0.96 -0.70 0.39 4.39 0.70 -1.83 114.58 118.59 2iuu h GLU 536 Ca 0.06 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2iuu h GLU 536 Cb 0.21 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2iuu h GLU 536 CO -0.00 0.71 0.36 -0.09 -1.16 0.00 0.00 179.01 178.82 2iuu h ARG 537 N 0.95 1.00 -0.43 2.33 2.43 -0.32 -1.62 114.38 118.71 2iuu h ARG 537 Ca 0.25 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2iuu h ARG 537 Cb 0.01 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2iuu h ARG 537 CO -0.04 0.77 0.13 0.00 -1.51 0.00 0.00 179.97 179.32 2iuu h ARG 538 N 0.97 0.67 -0.69 0.20 3.08 -0.86 -0.23 114.38 117.52 2iuu h ARG 538 Ca 0.24 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2iuu h ARG 538 Cb 0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2iuu h ARG 538 CO -0.04 0.66 0.43 1.88 -1.07 0.00 0.00 179.97 181.84 2iuu h TYR 539 N 0.56 0.81 -0.24 3.04 -1.99 -1.10 0.13 116.97 118.18 2iuu h TYR 539 Ca 0.14 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.91 2iuu h TYR 539 Cb 0.27 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 2iuu h TYR 539 CO 0.01 0.47 0.10 -0.09 -0.00 0.00 0.00 178.16 178.66 2iuu h ARG 540 N 0.85 0.22 0.52 4.88 2.43 -1.00 -0.90 114.38 121.39 2iuu h ARG 540 Ca 0.27 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2iuu h ARG 540 Cb 0.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2iuu h ARG 540 CO -0.10 0.15 -0.45 1.25 -1.51 0.00 0.00 179.97 179.31 2iuu h LEU 541 N 0.23 -1.20 -1.80 3.80 6.46 -0.33 -2.68 115.31 119.79 2iuu h LEU 541 Ca 0.10 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 2iuu h LEU 541 Cb 0.05 0.39 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2iuu h LEU 541 CO -0.08 -0.63 0.36 0.24 -0.62 0.00 0.00 178.44 177.70 2iuu h MET 542 N -0.96 0.21 -0.17 1.25 2.86 -0.62 -1.08 114.93 116.42 2iuu h MET 542 Ca -0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2iuu h MET 542 Cb 0.82 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2iuu h MET 542 CO -0.02 0.14 0.04 0.00 1.06 0.00 0.00 176.91 178.13 2iuu h ALA 543 N 1.74 0.22 -0.51 6.32 0.00 -0.86 -0.08 119.26 126.10 2iuu h ALA 543 Ca 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2iuu h ALA 543 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2iuu h ALA 543 CO -0.04 -0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.25 2iuu h ALA 544 N 0.85 1.37 0.00 0.00 0.00 -0.99 -2.24 119.26 118.25 2iuu h ALA 544 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2iuu h ALA 544 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2iuu h ALA 544 CO -0.00 0.47 0.00 0.52 0.00 0.00 0.00 179.25 180.24 2iuu h MET 545 N 0.73 0.00 -1.20 0.00 2.07 -0.93 -3.47 114.93 112.13 2iuu h MET 545 Ca 0.17 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.70 2iuu h MET 545 Cb 0.18 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.92 2iuu h MET 545 CO -0.01 0.00 -0.14 0.41 1.07 0.00 0.00 176.91 178.23 2iuu n GLY 546 N 0.72 0.29 3.54 8.32 0.00 -0.21 -5.04 105.19 112.81 2iuu n GLY 546 Ca 0.03 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 2iuu n GLY 546 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iuu s VAL 547 N -2.52 3.04 -0.32 1.61 1.01 -0.26 -5.05 120.40 117.92 2iuu s VAL 547 Ca 0.05 -1.71 0.23 0.00 0.00 0.00 0.00 61.98 60.54 2iuu s VAL 547 Cb -0.02 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.74 2iuu s VAL 547 CO 0.06 -0.10 0.89 0.54 0.00 0.00 0.00 175.10 176.48 2iuu n ARG 548 N 0.11 0.50 -3.75 2.72 1.74 -1.26 -4.44 116.66 112.27 2iuu n ARG 548 Ca -0.11 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 56.94 2iuu n ARG 548 Cb 0.55 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 2iuu n ARG 548 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2iuu s ASN 549 N -4.62 -0.12 0.31 0.55 2.20 -1.26 -4.88 114.94 107.13 2iuu s ASN 549 Ca -0.01 -0.40 0.08 0.00 -0.94 0.00 0.00 52.86 51.59 2iuu s ASN 549 Cb 0.12 0.43 0.89 0.00 -2.00 0.00 0.00 41.25 40.70 2iuu s ASN 549 CO 0.83 -0.80 1.66 0.25 -2.94 0.00 0.00 177.10 176.10 2iuu h LEU 550 N 2.00 0.31 0.69 3.54 5.85 -1.23 -0.02 115.31 126.44 2iuu h LEU 550 Ca -0.26 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2iuu h LEU 550 Cb 1.22 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2iuu h LEU 550 CO 0.28 -0.11 -0.38 0.00 -0.34 0.00 0.00 178.44 177.88 2iuu h ALA 551 N 1.80 -1.01 -0.75 1.25 0.00 -1.96 -0.01 119.26 118.59 2iuu h ALA 551 Ca 0.64 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2iuu h ALA 551 Cb 1.36 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2iuu h ALA 551 CO -0.61 -1.08 0.49 0.78 0.00 0.00 0.00 179.25 178.83 2iuu h GLY 552 N -0.99 1.00 1.00 0.00 0.00 -1.64 -1.16 103.07 101.28 2iuu h GLY 552 Ca -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2iuu h GLY 552 CO 0.12 0.24 -0.15 -2.75 0.00 0.00 0.00 176.54 173.99 2iuu h PHE 553 N 0.79 -0.40 0.00 5.60 3.57 -0.66 -2.14 116.94 123.70 2iuu h PHE 553 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2iuu h PHE 553 Cb 0.24 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2iuu h PHE 553 CO -0.00 -0.24 -0.06 -0.91 -2.23 0.00 0.00 178.31 174.87 2iuu h ASN 554 N -0.44 0.00 0.56 0.41 -0.26 -0.24 -1.82 115.58 113.79 2iuu h ASN 554 Ca -0.04 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 2iuu h ASN 554 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.60 2iuu h ASN 554 CO 0.07 0.06 -0.27 0.03 -1.06 0.00 0.00 177.43 176.27 2iuu h ARG 555 N 0.00 -0.72 -0.95 0.81 3.08 -0.90 -0.24 114.38 115.45 2iuu h ARG 555 Ca -0.00 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.25 2iuu h ARG 555 Cb 0.12 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 30.17 2iuu h ARG 555 CO 0.01 -0.42 -0.38 -0.22 -1.07 0.00 0.00 179.97 177.89 2iuu h LYS 556 N -1.07 -0.02 -0.24 0.04 1.63 -1.01 0.41 116.57 116.31 2iuu h LYS 556 Ca -0.08 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 2iuu h LYS 556 Cb 0.64 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2iuu h LYS 556 CO 0.13 -0.01 -0.30 -0.24 -3.45 0.00 0.00 179.45 175.57 2iuu h VAL 557 N -0.02 1.28 0.11 2.00 3.04 -1.32 -2.04 116.25 119.29 2iuu h VAL 557 Ca 0.34 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.66 2iuu h VAL 557 Cb 0.60 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2iuu h VAL 557 CO -0.96 0.43 -0.05 0.50 -1.01 0.00 0.00 177.57 176.48 2iuu h LYS 558 N 0.42 -0.14 -0.50 4.17 3.64 0.12 -2.59 116.57 121.69 2iuu h LYS 558 Ca 0.05 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2iuu h LYS 558 Cb 0.74 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 2iuu h LYS 558 CO 0.06 0.30 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.00 2iuu h ASP 559 N -0.66 -0.41 -0.82 4.20 3.32 -0.34 0.36 116.42 122.07 2iuu h ASP 559 Ca -0.02 0.14 0.16 0.00 0.02 0.00 0.00 57.03 57.34 2iuu h ASP 559 Cb 0.51 0.29 -0.10 0.00 0.22 0.00 0.00 39.33 40.25 2iuu h ASP 559 CO 0.03 -0.15 0.37 0.00 -1.72 0.00 0.00 179.24 177.77 2iuu h ALA 560 N 1.49 1.22 -0.26 3.45 0.00 -1.34 0.93 119.26 124.75 2iuu h ALA 560 Ca 0.24 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 2iuu h ALA 560 Cb 0.37 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2iuu h ALA 560 CO -0.49 -0.20 -0.53 0.93 0.00 0.00 0.00 179.25 178.96 2iuu h GLU 561 N 0.50 0.76 0.00 0.00 5.08 -0.66 -1.80 114.58 118.46 2iuu h GLU 561 Ca 0.47 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2iuu h GLU 561 Cb 0.74 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2iuu h GLU 561 CO -0.42 1.09 0.00 0.93 -1.00 0.00 0.00 179.01 179.61 2iuu h GLU 562 N 0.59 0.00 -0.67 2.33 5.08 0.22 -2.31 114.58 119.82 2iuu h GLU 562 Ca 0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 2iuu h GLU 562 Cb 1.11 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 2iuu h GLU 562 CO 0.11 0.00 0.27 0.00 -1.00 0.00 0.00 179.01 178.39 2iuu n ALA 563 N -1.93 4.65 0.00 3.43 0.00 0.20 -4.93 120.51 121.92 2iuu n ALA 563 Ca 0.02 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.75 2iuu n ALA 563 Cb 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2iuu n ALA 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuu n GLY 564 N -0.74 0.00 3.18 0.00 0.00 -0.87 -4.79 105.19 101.97 2iuu n GLY 564 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 2iuu n GLY 564 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2iuu n THR 565 N -1.32 4.12 -1.73 2.61 -1.04 -0.70 -4.96 114.28 111.27 2iuu n THR 565 Ca 0.00 -5.38 -0.37 0.00 -2.04 0.00 0.00 64.05 56.26 2iuu n THR 565 Cb 0.00 -2.43 0.07 0.00 -1.82 0.00 0.00 70.33 66.15 2iuu n THR 565 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2iuu n PRO 566 N 2.28 1.12 -2.50 -2.82 -0.04 -1.15 -4.43 135.00 127.46 2iuu n PRO 566 Ca 0.24 0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 63.83 2iuu n PRO 566 Cb 0.38 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.27 2iuu n PRO 566 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2iuu s LEU 567 N -4.36 3.63 0.08 1.53 1.43 -1.26 -4.97 118.68 114.77 2iuu s LEU 567 Ca 0.83 1.31 0.09 0.00 -1.03 0.00 0.00 54.13 55.34 2iuu s LEU 567 Cb -0.38 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 2iuu s LEU 567 CO 0.40 -0.56 -0.25 0.28 0.23 0.00 0.00 176.35 176.45 2iuu s THR 568 N -2.64 2.01 -0.37 5.49 -1.32 -1.26 -1.10 115.64 116.45 2iuu s THR 568 Ca 0.54 -1.51 -0.36 0.00 -1.21 0.00 0.00 61.69 59.15 2iuu s THR 568 Cb -0.10 -1.77 -0.12 0.00 -1.51 0.00 0.00 72.50 69.00 2iuu s THR 568 CO 0.37 0.16 2.20 -0.67 -2.21 0.00 0.00 174.62 174.46 2iuu n ASP 569 N 1.36 2.02 0.24 8.08 -0.08 -0.44 -4.78 116.55 122.95 2iuu n ASP 569 Ca -0.18 0.41 0.16 0.00 -1.51 0.00 0.00 54.79 53.67 2iuu n ASP 569 Cb 0.53 -1.24 0.59 0.00 2.34 0.00 0.00 41.12 43.34 2iuu n ASP 569 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2iuu h PRO 570 N 12.29 0.00 -0.60 -0.67 0.13 -1.95 -2.90 132.00 138.30 2iuu h PRO 570 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2iuu h PRO 570 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2iuu h PRO 570 CO 1.03 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.08 2iuu n LEU 571 N -2.91 3.15 -4.72 1.56 4.77 -1.26 -4.92 117.00 112.68 2iuu n LEU 571 Ca 0.01 -1.59 -0.41 0.00 -0.03 0.00 0.00 56.01 54.00 2iuu n LEU 571 Cb 0.32 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2iuu n LEU 571 CO 0.27 0.54 0.53 0.12 -1.33 0.00 0.00 177.39 177.52 2iuu s PHE 572 N -1.74 3.66 -0.25 -1.77 2.19 -1.10 -5.04 117.98 113.92 2iuu s PHE 572 Ca 0.31 1.50 -0.03 0.00 0.33 0.00 0.00 56.93 59.05 2iuu s PHE 572 Cb 0.21 -2.94 0.02 0.00 -1.31 0.00 0.00 43.02 38.99 2iuu s PHE 572 CO 0.15 0.10 -0.04 -0.98 1.83 0.00 0.00 175.22 176.28 2iuu s ARG 573 N 0.65 2.93 0.21 10.12 1.70 -1.26 -5.06 118.95 128.24 2iuu s ARG 573 Ca 0.44 -0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 54.47 2iuu s ARG 573 Cb -0.20 -3.05 -0.10 0.00 -0.57 0.00 0.00 34.95 31.04 2iuu s ARG 573 CO 0.24 -0.38 1.47 1.03 -1.08 0.00 0.00 175.30 176.57 2iuu s ARG 574 N 1.37 4.26 -0.00 3.89 0.52 -1.26 -4.88 118.95 122.85 2iuu s ARG 574 Ca 0.01 2.29 0.02 0.00 -0.52 0.00 0.00 55.73 57.53 2iuu s ARG 574 Cb -0.16 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2iuu s ARG 574 CO -0.03 -0.47 0.08 0.39 0.02 0.00 0.00 175.30 175.29 2iuu n GLU 575 N 2.98 4.43 -3.84 3.54 1.02 -1.26 -5.03 120.64 122.49 2iuu n GLU 575 Ca 0.09 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 2iuu n GLU 575 Cb 0.40 -0.74 -0.09 0.00 -0.02 0.00 0.00 31.44 31.00 2iuu n GLU 575 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2iuu s SER 576 N -1.52 0.01 0.53 1.62 0.15 -1.26 -5.02 113.70 108.21 2iuu s SER 576 Ca 0.00 -0.31 0.35 0.00 0.70 0.00 0.00 55.95 56.70 2iuu s SER 576 Cb 0.02 0.28 1.77 0.00 -1.71 0.00 0.00 66.02 66.38 2iuu s SER 576 CO 0.09 -0.53 2.07 -0.65 1.20 0.00 0.00 173.24 175.42 2iuu h PRO 577 N 3.58 0.00 0.00 5.44 0.11 -2.03 -2.66 132.00 136.43 2iuu h PRO 577 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2iuu h PRO 577 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2iuu h PRO 577 CO 0.47 0.00 -0.00 -0.44 -0.21 0.00 0.00 178.00 177.81 2iuu h ASP 578 N 0.00 -0.00 -0.69 -2.05 3.45 -2.02 -3.46 116.42 111.64 2iuu h ASP 578 Ca 0.00 -0.87 -0.55 0.00 0.43 0.00 0.00 57.03 56.04 2iuu h ASP 578 Cb 0.17 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.97 2iuu h ASP 578 CO 0.00 0.88 0.10 0.47 -1.57 0.00 0.00 179.24 179.12 2iuu n ASP 579 N -4.67 0.10 -4.19 6.45 10.43 -1.01 -4.95 116.55 118.72 2iuu n ASP 579 Ca -0.09 0.80 -0.29 0.00 2.57 0.00 0.00 54.79 57.78 2iuu n ASP 579 Cb 0.42 -0.63 -0.16 0.00 1.84 0.00 0.00 41.12 42.59 2iuu n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2iuu s GLU 580 N 0.26 2.16 -0.17 -1.24 2.02 -1.26 -4.93 118.70 115.55 2iuu s GLU 580 Ca 0.64 -0.74 -0.34 0.00 0.02 0.00 0.00 54.97 54.55 2iuu s GLU 580 Cb -0.89 -1.84 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 2iuu s GLU 580 CO 0.41 0.29 1.98 -2.30 0.02 0.00 0.00 175.26 175.66 2iuu n PRO 581 N 3.10 1.89 -1.47 0.39 -0.02 -1.26 -4.93 135.00 132.70 2iuu n PRO 581 Ca -0.18 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 2iuu n PRO 581 Cb 0.52 -2.66 0.09 0.00 -0.02 0.00 0.00 33.50 31.44 2iuu n PRO 581 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2iuu s PRO 582 N 4.77 2.20 0.22 0.52 0.04 -1.26 -4.75 135.00 136.73 2iuu s PRO 582 Ca 0.97 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 2iuu s PRO 582 Cb -0.70 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 2iuu s PRO 582 CO 0.50 -1.79 0.81 -1.14 0.04 0.00 0.00 177.00 175.42 2iuu s GLN 583 N -3.89 4.51 0.24 4.56 0.74 -1.26 -1.32 119.66 123.24 2iuu s GLN 583 Ca 0.74 1.14 -0.30 0.00 0.05 0.00 0.00 55.36 56.99 2iuu s GLN 583 Cb -0.29 -3.07 -0.09 0.00 1.10 0.00 0.00 33.01 30.66 2iuu s GLN 583 CO 0.45 0.46 0.98 -0.51 -0.55 0.00 0.00 175.29 176.12 2iuu s LEU 584 N -1.56 4.62 0.17 3.68 1.43 -0.26 -4.77 118.68 121.99 2iuu s LEU 584 Ca 0.41 2.03 0.07 0.00 -1.03 0.00 0.00 54.13 55.61 2iuu s LEU 584 Cb -0.21 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 2iuu s LEU 584 CO 0.25 0.07 -0.15 -0.94 0.23 0.00 0.00 176.35 175.81 2iuu s SER 585 N -1.03 2.41 0.41 2.29 1.04 -1.26 -4.74 113.70 112.82 2iuu s SER 585 Ca 0.42 -0.94 -0.26 0.00 0.48 0.00 0.00 55.95 55.65 2iuu s SER 585 Cb -0.27 -0.12 -0.10 0.00 0.10 0.00 0.00 66.02 65.63 2iuu s SER 585 CO 0.34 -0.15 1.42 0.35 0.98 0.00 0.00 173.24 176.19 2iuu n THR 586 N -0.02 2.42 -3.70 2.02 -2.24 -1.26 -5.00 114.28 106.50 2iuu n THR 586 Ca -0.11 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.81 2iuu n THR 586 Cb 0.59 -1.84 -0.06 0.00 -2.10 0.00 0.00 70.33 66.92 2iuu n THR 586 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2iuu s LEU 587 N -2.21 4.41 0.53 3.22 1.43 -1.26 -5.02 118.68 119.77 2iuu s LEU 587 Ca 0.58 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 2iuu s LEU 587 Cb -0.47 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2iuu s LEU 587 CO 0.60 0.32 0.93 -2.16 0.23 0.00 0.00 176.35 176.27 2iuu s PRO 588 N -1.32 3.71 -0.13 1.29 0.04 -1.26 -4.89 135.00 132.44 2iuu s PRO 588 Ca 0.23 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 2iuu s PRO 588 Cb -0.14 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2iuu s PRO 588 CO 0.11 -0.33 1.06 0.99 0.04 0.00 0.00 177.00 178.88 2iuu s THR 589 N -2.82 4.64 0.05 1.26 2.01 -0.34 -4.82 115.64 115.63 2iuu s THR 589 Ca 0.54 1.94 -0.15 0.00 0.31 0.00 0.00 61.69 64.32 2iuu s THR 589 Cb -0.10 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 2iuu s THR 589 CO 0.43 -0.05 0.46 -0.63 -0.69 0.00 0.00 174.62 174.14 2iuu s ILE 590 N 2.43 4.94 -0.07 1.82 -1.09 0.12 -0.51 121.20 128.85 2iuu s ILE 590 Ca 0.49 0.88 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 2iuu s ILE 590 Cb -0.19 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2iuu s ILE 590 CO 0.15 0.50 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.60 2iuu s VAL 591 N -1.17 0.83 -0.24 2.92 1.01 -0.38 -0.89 120.40 122.48 2iuu s VAL 591 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 2iuu s VAL 591 Cb -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2iuu s VAL 591 CO 0.16 0.31 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2iuu s VAL 592 N 1.16 3.40 -0.14 2.92 1.01 0.11 -0.49 120.40 128.37 2iuu s VAL 592 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2iuu s VAL 592 Cb -0.14 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2iuu s VAL 592 CO -0.01 0.30 -0.18 0.68 0.00 0.00 0.00 175.10 175.88 2iuu s VAL 593 N 1.45 2.40 -0.31 2.92 -7.23 -0.36 -0.71 120.40 118.55 2iuu s VAL 593 Ca 0.04 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2iuu s VAL 593 Cb -0.15 -1.99 0.04 0.00 0.56 0.00 0.00 36.38 34.85 2iuu s VAL 593 CO -0.02 0.53 0.03 -0.69 -0.31 0.00 0.00 175.10 174.64 2iuu s VAL 594 N 0.75 3.26 0.17 1.32 1.01 0.11 -1.19 120.40 125.82 2iuu s VAL 594 Ca -0.08 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 2iuu s VAL 594 Cb -0.16 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.44 2iuu s VAL 594 CO 0.00 -0.11 1.72 -0.78 0.00 0.00 0.00 175.10 175.93 2iuu h ASP 595 N 8.07 -0.02 -2.27 3.32 -0.00 -1.49 -1.64 116.42 122.39 2iuu h ASP 595 Ca -0.22 0.08 -0.58 0.00 -0.00 0.00 0.00 57.03 56.30 2iuu h ASP 595 Cb 1.07 0.11 -0.39 0.00 -0.00 0.00 0.00 39.33 40.12 2iuu h ASP 595 CO 0.56 0.03 -0.99 1.21 -0.00 0.00 0.00 179.24 180.04 2iuu n GLU 596 N -5.11 0.52 0.17 0.28 4.07 -1.22 -4.02 120.64 115.32 2iuu n GLU 596 Ca 0.03 -3.30 0.12 0.00 -0.06 0.00 0.00 57.16 53.95 2iuu n GLU 596 Cb 0.20 -1.57 0.62 0.00 -0.06 0.00 0.00 31.44 30.63 2iuu n GLU 596 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2iuu h PHE 597 N 5.03 0.00 -0.18 4.31 -5.15 -1.44 0.12 116.94 119.63 2iuu h PHE 597 Ca 0.19 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.83 2iuu h PHE 597 Cb 0.88 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.04 2iuu h PHE 597 CO 0.33 0.00 -0.45 0.00 -2.00 0.00 0.00 178.31 176.19 2iuu h ALA 598 N 2.01 0.89 -0.29 12.09 0.00 -1.94 -1.80 119.26 130.22 2iuu h ALA 598 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2iuu h ALA 598 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2iuu h ALA 598 CO 0.00 0.65 -0.36 -0.44 0.00 0.00 0.00 179.25 179.10 2iuu h ASP 599 N 0.36 0.69 -0.44 0.00 3.32 -1.36 -0.92 116.42 118.07 2iuu h ASP 599 Ca 0.02 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.72 2iuu h ASP 599 Cb 0.93 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 2iuu h ASP 599 CO 0.08 0.99 0.05 -0.03 -1.72 0.00 0.00 179.24 178.60 2iuu h MET 600 N 0.55 0.74 -0.10 3.56 4.05 -1.40 -0.67 114.93 121.66 2iuu h MET 600 Ca 0.05 -0.21 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2iuu h MET 600 Cb 0.88 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2iuu h MET 600 CO 0.08 0.79 0.06 0.52 0.23 0.00 0.00 176.91 178.59 2iuu h MET 601 N 0.60 0.14 -0.17 0.39 2.86 -1.24 0.66 114.93 118.17 2iuu h MET 601 Ca 0.13 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2iuu h MET 601 Cb 0.42 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2iuu h MET 601 CO 0.01 0.12 -0.04 1.98 1.06 0.00 0.00 176.91 180.04 2iuu h MET 602 N 0.12 -0.00 -0.23 1.72 -1.53 -0.97 0.79 114.93 114.83 2iuu h MET 602 Ca 0.04 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.14 2iuu h MET 602 Cb 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 2iuu h MET 602 CO -0.01 -0.00 -0.45 0.82 0.14 0.00 0.00 176.91 177.41 2iuu h ILE 603 N -0.00 1.31 0.00 1.77 2.04 -0.99 -3.39 117.51 118.25 2iuu h ILE 603 Ca 0.08 -1.66 -0.20 0.00 1.00 0.00 0.00 64.86 64.08 2iuu h ILE 603 Cb 0.13 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2iuu h ILE 603 CO -0.18 0.53 -1.14 0.58 0.00 0.00 0.00 178.15 177.94 2iuu h VAL 604 N 0.44 0.88 0.00 1.67 2.07 -0.83 -3.50 116.25 116.98 2iuu h VAL 604 Ca 0.01 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.44 2iuu h VAL 604 Cb 1.06 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2iuu h VAL 604 CO 0.10 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.60 2iuu n GLY 605 N 1.46 0.35 0.50 2.17 0.00 0.27 -4.78 105.19 105.15 2iuu n GLY 605 Ca -0.29 -2.25 0.32 0.00 0.00 0.00 0.00 46.02 43.80 2iuu n GLY 605 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2iuu h LYS 606 N 8.27 0.04 -0.00 1.61 2.10 -1.97 -1.48 116.57 125.14 2iuu h LYS 606 Ca 0.00 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2iuu h LYS 606 Cb 0.00 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2iuu h LYS 606 CO 0.00 0.03 -0.12 0.87 -2.00 0.00 0.00 179.45 178.23 2iuu h LYS 607 N 0.04 0.00 0.61 0.07 1.57 -1.96 -2.21 116.57 114.69 2iuu h LYS 607 Ca 0.53 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.28 2iuu h LYS 607 Cb 2.02 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.34 2iuu h LYS 607 CO -0.04 0.12 -0.29 0.28 -0.57 0.00 0.00 179.45 178.95 2iuu h VAL 608 N 0.00 0.40 -0.72 0.50 2.07 -1.62 -0.58 116.25 116.30 2iuu h VAL 608 Ca -0.00 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.61 2iuu h VAL 608 Cb 0.21 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 2iuu h VAL 608 CO 0.02 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.85 2iuu h GLU 609 N -0.84 0.49 -0.51 1.57 4.81 -1.65 0.07 114.58 118.52 2iuu h GLU 609 Ca -0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2iuu h GLU 609 Cb 0.64 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2iuu h GLU 609 CO 0.14 0.32 0.23 0.93 -0.73 0.00 0.00 179.01 179.90 2iuu h GLU 610 N 0.50 0.76 0.02 1.92 5.08 -1.19 -1.44 114.58 120.23 2iuu h GLU 610 Ca 0.38 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2iuu h GLU 610 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2iuu h GLU 610 CO -0.34 0.65 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.24 2iuu h LEU 611 N 0.69 -0.02 -0.53 1.33 3.38 -0.35 -1.12 115.31 118.68 2iuu h LEU 611 Ca 0.17 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.10 2iuu h LEU 611 Cb 0.16 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 2iuu h LEU 611 CO -0.02 0.14 -0.08 0.40 0.09 0.00 0.00 178.44 178.97 2iuu h ILE 612 N -0.18 0.51 -0.82 1.22 1.08 -0.87 0.11 117.51 118.56 2iuu h ILE 612 Ca -0.00 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2iuu h ILE 612 Cb 0.17 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 2iuu h ILE 612 CO 0.00 0.01 0.50 0.00 -0.69 0.00 0.00 178.15 177.97 2iuu h ALA 613 N 1.51 1.34 -0.33 1.87 0.00 -1.07 0.10 119.26 122.68 2iuu h ALA 613 Ca 0.26 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2iuu h ALA 613 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2iuu h ALA 613 CO -0.51 0.58 -0.05 -0.09 0.00 0.00 0.00 179.25 179.18 2iuu h ARG 614 N 1.13 0.62 0.58 0.00 2.43 0.21 -2.02 114.38 117.33 2iuu h ARG 614 Ca 0.30 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2iuu h ARG 614 Cb -0.06 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2iuu h ARG 614 CO -0.06 0.77 -0.28 0.82 -1.51 0.00 0.00 179.97 179.72 2iuu h ILE 615 N 0.41 0.32 0.00 1.20 1.08 -0.41 -3.17 117.51 116.94 2iuu h ILE 615 Ca 0.09 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2iuu h ILE 615 Cb 0.53 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2iuu h ILE 615 CO 0.03 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 2iuu n ALA 616 N -2.56 1.11 0.14 1.87 0.00 0.32 -0.06 120.51 121.33 2iuu n ALA 616 Ca -0.12 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2iuu n ALA 616 Cb 0.34 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 2iuu n ALA 616 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2iuu n GLN 617 N -1.99 0.58 0.00 0.00 0.00 -0.76 -4.66 117.38 110.55 2iuu n GLN 617 Ca -0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 2iuu n GLN 617 Cb 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 28.49 2iuu n GLN 617 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2iuu n LYS 618 N -2.60 4.55 0.30 3.69 4.81 -0.93 -4.92 118.16 123.05 2iuu n LYS 618 Ca -0.00 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.61 2iuu n LYS 618 Cb 0.54 -0.42 0.99 0.00 0.02 0.00 0.00 35.03 36.16 2iuu n LYS 618 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2iuu h ALA 619 N 0.00 1.40 -0.79 3.14 0.00 -0.71 -3.37 119.26 118.93 2iuu h ALA 619 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2iuu h ALA 619 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iuu h ALA 619 CO 0.00 -0.04 0.00 -2.13 0.00 0.00 0.00 179.25 177.08 2iuu n ARG 620 N -3.60 0.00 -0.23 0.00 0.63 -1.26 -1.97 116.66 110.23 2iuu n ARG 620 Ca -0.02 0.77 0.31 0.00 -0.92 0.00 0.00 57.85 57.99 2iuu n ARG 620 Cb 0.11 -1.37 0.73 0.00 0.45 0.00 0.00 32.46 32.38 2iuu n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2iuu h ALA 621 N -1.41 2.93 0.00 5.13 0.00 -1.90 0.33 119.26 124.34 2iuu h ALA 621 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iuu h ALA 621 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2iuu h ALA 621 CO 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 179.25 177.97 2iuu n ALA 622 N -2.69 2.35 -0.86 0.00 0.00 -0.83 -0.79 120.51 117.70 2iuu n ALA 622 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2iuu n ALA 622 Cb 1.11 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2iuu n ALA 622 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iuu n GLY 623 N 1.35 0.49 3.62 0.00 0.00 0.12 -4.66 105.19 106.11 2iuu n GLY 623 Ca 0.09 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2iuu n GLY 623 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iuu s ILE 624 N -2.00 4.55 0.02 -0.61 1.09 -1.09 -0.70 121.20 122.46 2iuu s ILE 624 Ca 0.00 -0.13 0.03 0.00 -1.10 0.00 0.00 60.65 59.46 2iuu s ILE 624 Cb 0.00 -3.02 -0.01 0.00 -1.06 0.00 0.00 42.46 38.37 2iuu s ILE 624 CO 0.00 0.49 -0.10 -1.00 -0.10 0.00 0.00 174.94 174.24 2iuu s HIS 625 N 0.14 0.86 -0.14 3.97 3.76 -0.07 -4.06 115.29 119.75 2iuu s HIS 625 Ca 0.03 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 2iuu s HIS 625 Cb -0.13 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2iuu s HIS 625 CO 0.01 -0.01 0.10 -0.51 -0.85 0.00 0.00 174.74 173.48 2iuu s LEU 626 N -0.79 4.12 -0.29 0.89 1.02 -1.26 -0.71 118.68 121.66 2iuu s LEU 626 Ca -0.00 0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.46 2iuu s LEU 626 Cb -0.06 -2.01 0.09 0.00 0.02 0.00 0.00 46.19 44.23 2iuu s LEU 626 CO 0.00 0.33 0.05 -0.63 0.02 0.00 0.00 176.35 176.13 2iuu s ILE 627 N -0.57 1.24 -0.17 -0.59 -1.09 0.11 0.16 121.20 120.29 2iuu s ILE 627 Ca 0.12 -1.46 -0.02 0.00 -2.23 0.00 0.00 60.65 57.06 2iuu s ILE 627 Cb -0.12 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 38.93 2iuu s ILE 627 CO 0.02 -0.50 -0.08 -0.76 -1.23 0.00 0.00 174.94 172.39 2iuu s LEU 628 N 1.46 2.84 0.17 2.97 1.43 0.19 -0.72 118.68 127.03 2iuu s LEU 628 Ca 0.06 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2iuu s LEU 628 Cb -0.18 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2iuu s LEU 628 CO -0.16 0.08 -0.19 0.00 0.23 0.00 0.00 176.35 176.31 2iuu s ALA 629 N 0.86 2.10 0.09 4.21 0.00 -0.62 0.39 121.76 128.79 2iuu s ALA 629 Ca -0.02 -1.53 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 2iuu s ALA 629 Cb -0.15 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2iuu s ALA 629 CO 0.01 0.26 0.63 -0.08 0.00 0.00 0.00 175.76 176.57 2iuu s THR 630 N -2.03 0.00 -1.46 0.00 -1.32 0.50 -1.62 115.64 109.70 2iuu s THR 630 Ca 0.17 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.80 2iuu s THR 630 Cb -0.06 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 2iuu s THR 630 CO 0.07 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.32 2iuu n GLN 631 N 0.07 1.65 -3.31 7.08 6.02 -1.26 -1.69 117.38 125.95 2iuu n GLN 631 Ca -0.18 -0.89 -0.33 0.00 -0.01 0.00 0.00 57.00 55.60 2iuu n GLN 631 Cb 0.62 -1.25 -0.05 0.00 1.02 0.00 0.00 30.24 30.59 2iuu n GLN 631 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2iuu n ARG 632 N 0.04 3.16 -2.44 -1.09 1.74 -1.26 -4.33 116.66 112.48 2iuu n ARG 632 Ca 0.07 -4.63 -0.39 0.00 -0.77 0.00 0.00 57.85 52.13 2iuu n ARG 632 Cb 0.33 -2.35 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 2iuu n ARG 632 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2iuu s PRO 633 N -2.52 3.53 0.39 5.56 0.02 -1.26 -4.67 135.00 136.05 2iuu s PRO 633 Ca 0.36 -1.60 0.08 0.00 0.02 0.00 0.00 61.00 59.86 2iuu s PRO 633 Cb 0.10 -5.42 -0.07 0.00 0.02 0.00 0.00 34.50 29.12 2iuu s PRO 633 CO 0.02 -2.69 -0.03 -1.54 -0.33 0.00 0.00 177.00 172.44 2iuu s SER 634 N 5.03 3.83 0.52 2.53 1.04 -1.26 -4.61 113.70 120.79 2iuu s SER 634 Ca 0.57 -1.30 0.22 0.00 0.48 0.00 0.00 55.95 55.91 2iuu s SER 634 Cb 0.02 -0.38 1.39 0.00 0.10 0.00 0.00 66.02 67.14 2iuu s SER 634 CO 0.06 -0.36 2.12 0.58 0.98 0.00 0.00 173.24 176.62 2iuu h VAL 635 N 1.86 0.82 0.00 5.02 2.07 -1.91 -0.73 116.25 123.38 2iuu h VAL 635 Ca -0.43 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 2iuu h VAL 635 Cb 1.24 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2iuu h VAL 635 CO 0.77 0.07 -0.47 0.44 0.02 0.00 0.00 177.57 178.41 2iuu h ASP 636 N 0.00 0.00 0.00 0.57 3.45 -1.95 -3.33 116.42 115.16 2iuu h ASP 636 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2iuu h ASP 636 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2iuu h ASP 636 CO 0.01 0.47 -0.57 0.52 -1.57 0.00 0.00 179.24 178.09 2iuu n VAL 637 N -3.53 1.09 -2.52 -1.35 0.31 -0.65 -4.62 118.33 107.06 2iuu n VAL 637 Ca -0.00 0.26 -0.43 0.00 -0.01 0.00 0.00 64.34 64.16 2iuu n VAL 637 Cb 0.58 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 2iuu n VAL 637 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2iuu n ILE 638 N -3.98 3.98 -2.02 2.52 5.41 -0.37 -4.92 119.36 119.98 2iuu n ILE 638 Ca -0.08 -4.11 -0.28 0.00 1.00 0.00 0.00 62.75 59.28 2iuu n ILE 638 Cb 0.30 -2.42 0.11 0.00 -0.71 0.00 0.00 39.64 36.92 2iuu n ILE 638 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2iuu s THR 639 N 3.16 2.08 0.23 1.39 -4.23 -1.25 -4.68 115.64 112.33 2iuu s THR 639 Ca 0.49 -0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 2iuu s THR 639 Cb 0.04 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 71.10 2iuu s THR 639 CO 0.03 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.18 2iuu h GLY 640 N -1.05 1.31 0.99 3.99 0.00 -1.93 0.29 103.07 106.66 2iuu h GLY 640 Ca -0.45 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.24 2iuu h GLY 640 CO 0.57 0.60 -0.10 1.41 0.00 0.00 0.00 176.54 179.02 2iuu h LEU 641 N 1.21 -0.23 0.08 3.11 3.38 -1.95 0.35 115.31 121.27 2iuu h LEU 641 Ca 0.30 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.28 2iuu h LEU 641 Cb 0.09 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2iuu h LEU 641 CO -0.04 -0.16 -0.10 0.40 0.09 0.00 0.00 178.44 178.63 2iuu h ILE 642 N -0.26 0.77 -0.24 1.22 1.08 -1.75 -2.99 117.51 115.34 2iuu h ILE 642 Ca -0.02 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.39 2iuu h ILE 642 Cb 0.21 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 2iuu h ILE 642 CO 0.03 0.00 -0.08 0.11 -0.69 0.00 0.00 178.15 177.52 2iuu h LYS 643 N -0.21 0.38 -0.58 2.37 1.57 -0.27 -3.35 116.57 116.47 2iuu h LYS 643 Ca 0.01 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2iuu h LYS 643 Cb 0.22 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 2iuu h LYS 643 CO -0.04 0.47 -0.24 0.00 -0.57 0.00 0.00 179.45 179.07 2iuu n ALA 644 N -2.48 -0.11 -1.76 3.86 0.00 0.12 -1.89 120.51 118.24 2iuu n ALA 644 Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 53.44 54.05 2iuu n ALA 644 Cb 0.27 -0.23 0.17 0.00 0.00 0.00 0.00 19.45 19.65 2iuu n ALA 644 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2iuu n ASN 645 N -4.83 1.79 -3.67 0.00 4.13 -1.26 -4.80 115.26 106.63 2iuu n ASN 645 Ca 0.05 -3.62 -0.27 0.00 1.68 0.00 0.00 54.58 52.42 2iuu n ASN 645 Cb 0.22 -0.49 -0.10 0.00 -1.54 0.00 0.00 39.78 37.87 2iuu n ASN 645 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2iuu n ILE 646 N -0.87 1.38 0.27 2.41 5.41 -0.79 -4.74 119.36 122.43 2iuu n ILE 646 Ca 0.19 -4.76 0.17 0.00 1.00 0.00 0.00 62.75 59.35 2iuu n ILE 646 Cb 0.77 -2.09 0.66 0.00 -0.71 0.00 0.00 39.64 38.27 2iuu n ILE 646 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2iuu h PRO 647 N 4.99 0.00 -5.72 0.38 0.13 -1.82 -3.44 132.00 126.52 2iuu h PRO 647 Ca 0.17 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.72 2iuu h PRO 647 Cb 0.75 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.80 2iuu h PRO 647 CO 0.70 0.01 0.01 0.99 -0.23 0.00 0.00 178.00 179.48 2iuu s THR 648 N -3.66 5.09 -0.01 1.56 2.01 -1.26 -4.18 115.64 115.20 2iuu s THR 648 Ca 0.01 1.12 0.04 0.00 0.31 0.00 0.00 61.69 63.17 2iuu s THR 648 Cb 0.09 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2iuu s THR 648 CO 0.55 0.21 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.43 2iuu s ARG 649 N 1.27 1.09 -0.09 4.92 1.81 -0.53 -2.12 118.95 125.30 2iuu s ARG 649 Ca 0.28 -0.50 0.03 0.00 -1.72 0.00 0.00 55.73 53.83 2iuu s ARG 649 Cb -0.16 -1.05 0.01 0.00 -0.45 0.00 0.00 34.95 33.30 2iuu s ARG 649 CO 0.12 0.29 -0.19 0.42 -0.68 0.00 0.00 175.30 175.26 2iuu s ILE 650 N -0.34 1.64 -0.13 1.52 1.09 -0.05 0.98 121.20 125.91 2iuu s ILE 650 Ca 0.05 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2iuu s ILE 650 Cb -0.05 -1.45 0.03 0.00 -1.06 0.00 0.00 42.46 39.93 2iuu s ILE 650 CO -0.00 0.47 -0.05 0.00 -0.10 0.00 0.00 174.94 175.25 2iuu s ALA 651 N 0.53 1.28 0.71 9.38 0.00 0.11 -2.03 121.76 131.74 2iuu s ALA 651 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2iuu s ALA 651 Cb -0.17 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2iuu s ALA 651 CO 0.06 -0.58 0.00 1.19 0.00 0.00 0.00 175.76 176.43 2iuu n PHE 652 N 4.95 -3.33 -2.00 0.00 3.72 0.49 -0.57 117.46 120.73 2iuu n PHE 652 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 2iuu n PHE 652 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 2iuu n PHE 652 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2iuu s GLN 653 N -2.34 4.25 0.30 -1.08 0.74 -1.25 -4.70 119.66 115.58 2iuu s GLN 653 Ca 0.00 2.30 0.11 0.00 0.05 0.00 0.00 55.36 57.82 2iuu s GLN 653 Cb 0.00 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 2iuu s GLN 653 CO 0.00 -0.49 -0.16 0.14 -0.55 0.00 0.00 175.29 174.23 2iuu s VAL 654 N 0.55 2.47 0.45 1.34 -7.23 -0.98 -1.68 120.40 115.31 2iuu s VAL 654 Ca 0.64 -2.33 0.16 0.00 -1.81 0.00 0.00 61.98 58.64 2iuu s VAL 654 Cb -0.42 -2.42 0.20 0.00 0.56 0.00 0.00 36.38 34.30 2iuu s VAL 654 CO 0.37 -0.35 2.01 0.28 -0.31 0.00 0.00 175.10 177.11 2iuu h SER 655 N 2.18 0.00 -5.08 4.85 0.02 -1.93 -3.38 113.55 110.21 2iuu h SER 655 Ca -0.41 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2iuu h SER 655 Cb 1.26 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 2iuu h SER 655 CO 0.63 0.17 0.11 -0.94 -1.14 0.00 0.00 176.83 175.66 2iuu s SER 656 N -6.89 -0.21 0.33 3.07 1.04 -1.26 -5.00 113.70 104.78 2iuu s SER 656 Ca -0.04 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.71 2iuu s SER 656 Cb 0.15 0.68 0.62 0.00 0.10 0.00 0.00 66.02 67.57 2iuu s SER 656 CO 0.68 -1.27 1.96 0.11 0.98 0.00 0.00 173.24 175.70 2iuu h LYS 657 N 2.09 0.88 0.13 4.02 1.57 -1.96 0.60 116.57 123.90 2iuu h LYS 657 Ca -0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2iuu h LYS 657 Cb 1.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2iuu h LYS 657 CO 0.28 0.58 -0.10 0.82 -0.57 0.00 0.00 179.45 180.46 2iuu h ILE 658 N 0.91 0.77 -0.60 1.86 5.03 -1.96 -0.20 117.51 123.31 2iuu h ILE 658 Ca 0.32 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 65.10 2iuu h ILE 658 Cb 0.11 0.77 -0.04 0.00 -3.03 0.00 0.00 36.82 34.63 2iuu h ILE 658 CO -0.10 0.00 0.34 0.44 -0.68 0.00 0.00 178.15 178.16 2iuu h ASP 659 N -0.24 0.53 -0.53 1.72 3.45 -1.58 -1.82 116.42 117.94 2iuu h ASP 659 Ca -0.00 0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.54 2iuu h ASP 659 Cb 0.22 -0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 38.85 2iuu h ASP 659 CO -0.02 0.36 0.23 -1.28 -1.57 0.00 0.00 179.24 176.96 2iuu h SER 660 N 0.66 0.27 -0.42 6.45 0.87 -0.47 -1.56 113.55 119.35 2iuu h SER 660 Ca 0.26 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 2iuu h SER 660 Cb 0.10 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2iuu h SER 660 CO -0.14 0.18 0.11 0.03 -0.53 0.00 0.00 176.83 176.49 2iuu h ARG 661 N 0.43 0.74 -0.82 2.24 3.08 -0.43 0.38 114.38 120.01 2iuu h ARG 661 Ca 0.25 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.22 2iuu h ARG 661 Cb 0.24 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2iuu h ARG 661 CO -0.22 0.68 0.50 1.15 -1.07 0.00 0.00 179.97 181.00 2iuu h THR 662 N 0.72 1.03 0.09 2.04 2.02 -0.48 1.02 112.91 119.34 2iuu h THR 662 Ca 0.16 -0.31 -0.36 0.00 0.77 0.00 0.00 66.41 66.67 2iuu h THR 662 Cb 0.28 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2iuu h THR 662 CO -0.00 0.17 -1.99 0.00 0.37 0.00 0.00 175.52 174.06 2iuu n ILE 663 N -4.65 1.70 0.86 3.11 0.00 -1.00 -4.53 119.36 114.85 2iuu n ILE 663 Ca 0.12 -0.55 0.10 0.00 0.00 0.00 0.00 62.75 62.42 2iuu n ILE 663 Cb 0.18 -1.73 -0.09 0.00 0.00 0.00 0.00 39.64 37.99 2iuu n ILE 663 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2iuu n LEU 664 N -3.60 0.82 -3.18 9.51 4.77 0.13 -4.88 117.00 120.56 2iuu n LEU 664 Ca -0.35 -0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 55.06 2iuu n LEU 664 Cb 0.99 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 42.12 2iuu n LEU 664 CO 0.36 0.20 0.19 0.47 -1.33 0.00 0.00 177.39 177.28 2iuu n ASP 665 N -1.62 -4.88 0.00 -1.43 10.43 0.35 -4.95 116.55 114.45 2iuu n ASP 665 Ca 0.03 -0.49 0.00 0.00 2.57 0.00 0.00 54.79 56.90 2iuu n ASP 665 Cb 0.36 -4.48 0.00 0.00 1.84 0.00 0.00 41.12 38.85 2iuu n ASP 665 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 2iuu n GLN 666 N -4.26 0.00 -2.06 -1.24 7.27 -1.25 -4.97 117.38 110.88 2iuu n GLN 666 Ca -0.06 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.71 2iuu n GLN 666 Cb 0.58 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.24 2iuu n GLN 666 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2iuu s GLY 667 N 0.00 1.62 0.00 1.69 0.00 -1.26 -2.88 107.32 106.49 2iuu s GLY 667 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2iuu s GLY 667 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.72 2iuu n GLY 668 N -2.68 3.68 0.17 0.20 0.00 -1.26 -4.96 105.19 100.33 2iuu n GLY 668 Ca 0.05 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2iuu n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu h ALA 669 N 0.00 1.22 0.00 4.61 0.00 -1.89 0.67 119.26 123.87 2iuu h ALA 669 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2iuu h ALA 669 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2iuu h ALA 669 CO 0.00 -0.22 -0.19 1.05 0.00 0.00 0.00 179.25 179.90 2iuu h GLU 670 N 0.00 0.00 -0.00 0.00 9.09 -1.81 -2.59 114.58 119.27 2iuu h GLU 670 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2iuu h GLU 670 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 2iuu h GLU 670 CO 0.00 0.19 -0.13 1.04 0.05 0.00 0.00 179.01 180.15 2iuu n GLN 671 N -3.16 0.25 -1.19 1.06 1.13 0.23 -4.79 117.38 110.90 2iuu n GLN 671 Ca 0.03 -0.06 -0.33 0.00 -1.94 0.00 0.00 57.00 54.69 2iuu n GLN 671 Cb 0.58 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.55 2iuu n GLN 671 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2iuu s LEU 672 N -2.80 3.15 0.00 1.08 1.43 -1.17 -4.81 118.68 115.56 2iuu s LEU 672 Ca 0.19 2.28 0.27 0.00 -1.03 0.00 0.00 54.13 55.84 2iuu s LEU 672 Cb 0.19 -4.58 0.91 0.00 0.03 0.00 0.00 46.19 42.74 2iuu s LEU 672 CO 0.54 -2.52 1.66 0.18 0.23 0.00 0.00 176.35 176.44 2iuu n LEU 673 N -3.24 1.22 0.00 1.79 4.77 -1.26 -4.88 117.00 115.40 2iuu n LEU 673 Ca 0.13 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2iuu n LEU 673 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2iuu n LEU 673 CO 0.48 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2iuu n GLY 674 N 1.26 -2.29 3.99 -0.72 0.00 -1.26 -4.93 105.19 101.24 2iuu n GLY 674 Ca 0.15 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2iuu n GLY 674 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2iuu n HIS 675 N -0.35 -1.57 -0.21 1.61 8.25 -1.02 -1.85 115.22 120.08 2iuu n HIS 675 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2iuu n HIS 675 Cb 0.00 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 27.86 2iuu n HIS 675 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2iuu n GLY 676 N -2.05 1.76 3.72 -1.41 0.00 0.73 -4.78 105.19 103.15 2iuu n GLY 676 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2iuu n GLY 676 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iuu s ASP 677 N -3.30 6.75 0.17 1.61 3.68 -0.77 -0.38 116.67 124.44 2iuu s ASP 677 Ca 0.00 2.44 -0.07 0.00 2.13 0.00 0.00 52.55 57.05 2iuu s ASP 677 Cb 0.00 -2.59 -0.02 0.00 -1.45 0.00 0.00 42.92 38.86 2iuu s ASP 677 CO 0.00 -0.69 0.26 0.00 0.13 0.00 0.00 175.17 174.86 2iuu s MET 678 N 0.89 1.18 -0.20 4.34 0.23 0.10 -3.77 119.30 122.07 2iuu s MET 678 Ca 0.65 -1.28 0.01 0.00 -1.03 0.00 0.00 55.69 54.03 2iuu s MET 678 Cb -0.39 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.29 2iuu s MET 678 CO 0.32 -0.42 -0.16 -0.51 -2.03 0.00 0.00 175.02 172.22 2iuu s LEU 679 N -3.01 2.47 -0.26 0.18 1.43 0.27 -0.76 118.68 118.99 2iuu s LEU 679 Ca 0.22 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 2iuu s LEU 679 Cb 0.04 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2iuu s LEU 679 CO 0.03 -0.04 0.14 -0.47 0.23 0.00 0.00 176.35 176.24 2iuu s TYR 680 N 1.28 3.19 -0.47 0.29 5.04 0.74 -0.71 117.35 126.71 2iuu s TYR 680 Ca 0.03 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2iuu s TYR 680 Cb -0.14 -2.31 0.12 0.00 0.35 0.00 0.00 41.96 39.98 2iuu s TYR 680 CO -0.10 -0.19 0.21 -1.17 -1.34 0.00 0.00 175.55 172.96 2iuu s LEU 681 N 1.57 4.70 0.85 6.97 2.96 0.27 0.33 118.68 136.33 2iuu s LEU 681 Ca 0.07 -2.61 -0.12 0.00 -0.22 0.00 0.00 54.13 51.25 2iuu s LEU 681 Cb -0.15 -1.69 0.10 0.00 0.50 0.00 0.00 46.19 44.95 2iuu s LEU 681 CO 0.07 -0.33 1.10 -2.16 -1.32 0.00 0.00 176.35 173.71 2iuu s PRO 682 N 0.28 1.61 0.73 0.98 0.04 -1.26 -1.46 135.00 135.92 2iuu s PRO 682 Ca 0.14 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 2iuu s PRO 682 Cb -0.23 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2iuu s PRO 682 CO -0.04 -1.97 0.87 -0.35 0.04 0.00 0.00 177.00 175.56 2iuu n PRO 683 N -3.68 0.42 0.00 0.56 -0.04 -1.26 -4.86 135.00 126.14 2iuu n PRO 683 Ca 0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2iuu n PRO 683 Cb 0.56 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2iuu n PRO 683 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iuu n GLY 684 N 1.19 -2.69 3.45 0.55 0.00 -1.26 -4.93 105.19 101.50 2iuu n GLY 684 Ca 0.12 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2iuu n GLY 684 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuu s THR 685 N -0.76 1.56 0.00 2.61 2.01 -1.26 -4.95 115.64 114.85 2iuu s THR 685 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2iuu s THR 685 Cb 0.00 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2iuu s THR 685 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2iuu n GLY 686 N 0.39 3.23 3.77 4.40 0.00 -1.26 -5.04 105.19 110.68 2iuu n GLY 686 Ca 0.10 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 2iuu n GLY 686 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iuu s LEU 687 N 0.00 4.38 0.77 0.99 1.43 -1.26 -4.97 118.68 120.02 2iuu s LEU 687 Ca 0.00 2.41 -0.15 0.00 -1.03 0.00 0.00 54.13 55.36 2iuu s LEU 687 Cb 0.00 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.46 2iuu s LEU 687 CO 0.00 -0.45 0.88 -0.81 0.23 0.00 0.00 176.35 176.21 2iuu n PRO 688 N 0.66 0.28 -3.62 1.29 -0.04 -1.26 -4.95 135.00 127.36 2iuu n PRO 688 Ca 0.01 0.16 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 2iuu n PRO 688 Cb 0.45 -2.16 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 2iuu n PRO 688 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2iuu s ILE 689 N -1.99 5.20 0.11 0.52 -1.09 0.15 -4.87 121.20 119.24 2iuu s ILE 689 Ca 0.70 0.13 -0.30 0.00 -2.23 0.00 0.00 60.65 58.95 2iuu s ILE 689 Cb -0.32 -3.47 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2iuu s ILE 689 CO 0.54 0.27 1.19 -0.60 -1.23 0.00 0.00 174.94 175.12 2iuu s ARG 690 N 1.64 4.46 -0.02 2.79 3.52 -1.26 -0.18 118.95 129.90 2iuu s ARG 690 Ca 0.07 1.80 0.01 0.00 -0.13 0.00 0.00 55.73 57.48 2iuu s ARG 690 Cb -0.16 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2iuu s ARG 690 CO 0.09 -0.18 -0.04 0.08 -0.81 0.00 0.00 175.30 174.44 2iuu s VAL 691 N 0.63 0.41 -0.58 7.11 1.01 0.06 -3.90 120.40 125.13 2iuu s VAL 691 Ca 0.56 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 2iuu s VAL 691 Cb -0.30 -0.40 0.11 0.00 0.00 0.00 0.00 36.38 35.78 2iuu s VAL 691 CO 0.32 0.16 0.67 -1.00 0.00 0.00 0.00 175.10 175.24 2iuu s HIS 692 N 0.45 3.04 0.38 5.22 0.09 0.10 -0.72 115.29 123.85 2iuu s HIS 692 Ca -0.05 -1.01 -0.26 0.00 -0.00 0.00 0.00 55.06 53.74 2iuu s HIS 692 Cb -0.09 -3.97 -0.11 0.00 -0.00 0.00 0.00 32.58 28.41 2iuu s HIS 692 CO -0.00 -1.24 1.09 0.41 -0.00 0.00 0.00 174.74 174.99 2iuu n GLY 693 N 5.28 -0.00 3.78 -2.22 0.00 0.49 -1.72 105.19 110.79 2iuu n GLY 693 Ca -0.10 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2iuu n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 694 N -1.19 3.10 -0.07 4.61 0.00 -1.02 -4.75 121.76 122.44 2iuu s ALA 694 Ca 0.61 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 2iuu s ALA 694 Cb -0.58 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 2iuu s ALA 694 CO 0.59 -0.31 0.49 0.12 0.00 0.00 0.00 175.76 176.64 2iuu s PHE 695 N -1.58 3.59 -0.07 0.00 5.36 0.18 -4.78 117.98 120.68 2iuu s PHE 695 Ca 0.58 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 57.51 2iuu s PHE 695 Cb -0.25 -2.52 0.03 0.00 -0.34 0.00 0.00 43.02 39.94 2iuu s PHE 695 CO 0.31 0.29 -0.02 0.54 -1.46 0.00 0.00 175.22 174.88 2iuu s VAL 696 N 0.15 0.50 0.68 3.12 0.11 -1.26 -2.12 120.40 121.58 2iuu s VAL 696 Ca 0.27 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.22 2iuu s VAL 696 Cb -0.16 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2iuu s VAL 696 CO 0.12 0.27 1.07 -0.94 -3.33 0.00 0.00 175.10 172.29 2iuu s SER 697 N 1.76 5.63 0.51 3.54 1.04 -1.26 -4.92 113.70 120.01 2iuu s SER 697 Ca 0.02 1.31 0.28 0.00 0.48 0.00 0.00 55.95 58.04 2iuu s SER 697 Cb -0.13 -2.20 1.36 0.00 0.10 0.00 0.00 66.02 65.15 2iuu s SER 697 CO -0.05 -1.24 2.02 0.44 0.98 0.00 0.00 173.24 175.39 2iuu h ASP 698 N -0.58 0.00 0.16 7.02 3.45 -2.01 -1.76 116.42 122.71 2iuu h ASP 698 Ca -0.45 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.01 2iuu h ASP 698 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2iuu h ASP 698 CO 0.62 0.14 -0.08 0.44 -1.57 0.00 0.00 179.24 178.79 2iuu h ASP 699 N 0.00 -0.19 -0.99 6.45 3.45 -1.98 0.31 116.42 123.48 2iuu h ASP 699 Ca -0.00 -0.35 0.18 0.00 0.43 0.00 0.00 57.03 57.28 2iuu h ASP 699 Cb 0.43 0.05 -0.09 0.00 -0.56 0.00 0.00 39.33 39.16 2iuu h ASP 699 CO 0.02 0.33 0.61 -0.33 -1.57 0.00 0.00 179.24 178.30 2iuu h GLU 700 N -0.79 0.74 0.28 3.56 5.08 -1.78 0.45 114.58 122.12 2iuu h GLU 700 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2iuu h GLU 700 Cb 0.53 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2iuu h GLU 700 CO 0.04 0.49 -0.13 0.28 -1.00 0.00 0.00 179.01 178.68 2iuu h VAL 701 N 0.76 0.61 -1.01 3.13 2.07 -1.26 -2.03 116.25 118.52 2iuu h VAL 701 Ca 0.54 -0.82 0.25 0.00 0.82 0.00 0.00 66.70 67.49 2iuu h VAL 701 Cb 0.85 0.97 -0.12 0.00 -1.52 0.00 0.00 31.29 31.46 2iuu h VAL 701 CO -0.32 0.14 0.60 -0.74 0.02 0.00 0.00 177.57 177.27 2iuu h HIS 702 N -0.89 0.98 0.75 1.57 -0.00 0.44 -0.20 115.15 117.79 2iuu h HIS 702 Ca -0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2iuu h HIS 702 Cb 0.51 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 27.65 2iuu h HIS 702 CO 0.05 0.06 -0.36 -0.09 -0.00 0.00 0.00 177.93 177.59 2iuu h ARG 703 N 0.56 -0.97 -0.07 5.26 2.43 -0.08 -2.14 114.38 119.37 2iuu h ARG 703 Ca 0.64 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.90 2iuu h ARG 703 Cb 1.27 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2iuu h ARG 703 CO -0.46 -0.62 0.06 0.28 -1.51 0.00 0.00 179.97 177.72 2iuu h VAL 704 N -1.15 0.69 0.39 0.20 2.07 -0.55 -0.67 116.25 117.23 2iuu h VAL 704 Ca -0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2iuu h VAL 704 Cb 0.79 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2iuu h VAL 704 CO 0.17 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 178.15 2iuu h VAL 705 N 0.00 0.45 -0.90 2.57 2.07 -0.95 -2.64 116.25 116.85 2iuu h VAL 705 Ca 0.03 -0.62 0.13 0.00 0.82 0.00 0.00 66.70 67.06 2iuu h VAL 705 Cb 0.16 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 2iuu h VAL 705 CO -0.00 0.09 0.52 -0.33 0.02 0.00 0.00 177.57 177.86 2iuu h GLU 706 N -0.95 0.75 -0.96 1.57 4.39 -0.84 0.15 114.58 118.70 2iuu h GLU 706 Ca -0.05 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.69 2iuu h GLU 706 Cb 0.54 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 2iuu h GLU 706 CO 0.09 0.50 0.62 0.00 -1.16 0.00 0.00 179.01 179.05 2iuu h ALA 707 N 1.54 1.51 0.15 3.43 0.00 -1.13 -1.57 119.26 123.19 2iuu h ALA 707 Ca 0.47 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.09 2iuu h ALA 707 Cb 0.57 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2iuu h ALA 707 CO -0.31 0.31 -1.29 -1.49 0.00 0.00 0.00 179.25 176.46 2iuu h TRP 708 N 1.03 0.57 0.00 0.00 4.06 -0.59 -3.02 115.95 118.00 2iuu h TRP 708 Ca 0.44 -0.42 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 2iuu h TRP 708 Cb 0.32 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2iuu h TRP 708 CO -0.00 1.33 -0.06 0.87 -3.56 0.00 0.00 178.44 177.02 2iuu h LYS 709 N 0.09 0.00 -0.01 0.49 1.57 -0.24 -1.76 116.57 116.70 2iuu h LYS 709 Ca -0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2iuu h LYS 709 Cb 2.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.32 2iuu h LYS 709 CO 0.21 0.06 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.81 2iuu h LEU 710 N 0.00 0.26 0.00 2.94 3.38 -1.32 -3.23 115.31 117.34 2iuu h LEU 710 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2iuu h LEU 710 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2iuu h LEU 710 CO 0.01 0.97 0.00 0.54 0.09 0.00 0.00 178.44 180.05 2iuu n ARG 711 N -4.49 0.18 0.00 1.13 1.74 -0.69 -4.82 116.66 109.72 2iuu n ARG 711 Ca -0.10 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2iuu n ARG 711 Cb 0.51 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2iuu n ARG 711 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iuu n GLY 712 N -0.63 2.89 3.94 -0.13 0.00 -1.05 -5.08 105.19 105.13 2iuu n GLY 712 Ca 0.04 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2iuu n GLY 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 713 N -2.00 3.66 -0.20 4.61 0.00 -1.26 -4.35 121.76 122.22 2iuu s ALA 713 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2iuu s ALA 713 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 2iuu s ALA 713 CO 0.00 -0.11 1.73 -1.25 0.00 0.00 0.00 175.76 176.13 2iuu s PRO 714 N -4.40 3.74 -1.16 0.00 0.04 -1.24 -4.41 135.00 127.57 2iuu s PRO 714 Ca 0.42 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 2iuu s PRO 714 Cb -0.10 -4.09 0.24 0.00 0.04 0.00 0.00 34.50 30.59 2iuu s PRO 714 CO 0.37 -1.37 1.46 -3.47 0.04 0.00 0.00 177.00 174.04 2iuu n ASP 715 N 8.78 5.66 -4.79 6.66 4.64 -1.26 -5.02 116.55 131.22 2iuu n ASP 715 Ca 0.20 -3.16 -0.32 0.00 -1.38 0.00 0.00 54.79 50.14 2iuu n ASP 715 Cb 0.45 -1.40 0.06 0.00 -1.04 0.00 0.00 41.12 39.18 2iuu n ASP 715 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 2iuu s TYR 716 N -0.84 2.83 -0.59 -0.67 4.12 -1.26 -4.73 117.35 116.20 2iuu s TYR 716 Ca 0.35 1.50 0.06 0.00 0.02 0.00 0.00 57.07 59.00 2iuu s TYR 716 Cb 0.00 -3.00 0.22 0.00 -1.52 0.00 0.00 41.96 37.66 2iuu s TYR 716 CO 0.01 -1.49 0.60 -0.89 0.02 0.00 0.00 175.55 173.81 2iuu n ILE 717 N -3.00 1.27 -0.05 2.71 -0.00 -0.43 -4.96 119.36 114.90 2iuu n ILE 717 Ca 0.09 -4.73 0.17 0.00 -0.00 0.00 0.00 62.75 58.28 2iuu n ILE 717 Cb 0.53 -2.05 0.27 0.00 -0.00 0.00 0.00 39.64 38.38 2iuu n ILE 717 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2iuu n GLU 718 N 1.45 0.02 -0.25 0.38 2.13 -1.26 0.24 120.64 123.34 2iuu n GLU 718 Ca 0.26 0.88 0.02 0.00 0.66 0.00 0.00 57.16 58.98 2iuu n GLU 718 Cb 0.42 -2.25 0.15 0.00 0.27 0.00 0.00 31.44 30.03 2iuu n GLU 718 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2iuu h ASP 719 N 0.00 0.49 -0.52 4.31 -0.00 -1.94 -3.17 116.42 115.59 2iuu h ASP 719 Ca 0.31 0.06 0.07 0.00 -0.00 0.00 0.00 57.03 57.47 2iuu h ASP 719 Cb 2.35 -0.03 -0.06 0.00 -0.00 0.00 0.00 39.33 41.60 2iuu h ASP 719 CO -0.00 0.28 0.19 -0.29 -0.00 0.00 0.00 179.24 179.41 2iuu h ILE 720 N 0.63 0.82 0.00 2.25 2.10 -0.57 -2.75 117.51 119.99 2iuu h ILE 720 Ca 0.36 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 66.18 2iuu h ILE 720 Cb 0.38 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 2iuu h ILE 720 CO -0.27 0.07 0.00 0.18 -1.08 0.00 0.00 178.15 177.05 2iuu n LEU 721 N -5.00 0.00 0.00 2.19 4.77 -1.20 -3.68 117.00 114.07 2iuu n LEU 721 Ca 0.06 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2iuu n LEU 721 Cb 0.21 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2iuu n LEU 721 CO 0.24 -0.02 0.25 0.00 -1.33 0.00 0.00 177.39 176.53