#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 0.62 -2.79 1.96 -0.04 -1.26 -4.96 135.00 128.54 2iuu n PRO 316 Ca 0.00 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 2iuu n PRO 316 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.01 4.80 0.00 0.54 0.04 -1.26 -4.93 135.00 133.18 2iuu s PRO 317 Ca 0.66 1.43 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2iuu s PRO 317 Cb -0.87 -3.28 0.24 0.00 0.04 0.00 0.00 34.50 30.63 2iuu s PRO 317 CO 0.57 0.52 0.83 1.28 0.04 0.00 0.00 177.00 180.24 2iuu n LEU 318 N 1.55 0.00 0.18 -3.56 4.77 -1.26 -1.61 117.00 117.07 2iuu n LEU 318 Ca -0.03 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.22 2iuu n LEU 318 Cb 0.47 -0.12 0.55 0.00 -2.33 0.00 0.00 43.42 41.99 2iuu n LEU 318 CO 0.49 -0.11 0.90 0.28 -1.33 0.00 0.00 177.39 177.63 2iuu h SER 319 N 0.00 0.00 1.04 -1.43 0.02 -2.02 -2.68 113.55 108.48 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 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2iuu h SER 319 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2iuu n LEU 320 N -2.53 0.69 -4.80 5.07 4.77 -0.63 -4.80 117.00 114.77 2iuu n LEU 320 Ca 0.02 0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 56.23 2iuu n LEU 320 Cb 0.26 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2iuu n LEU 320 CO 0.23 -0.38 0.34 -0.76 -1.33 0.00 0.00 177.39 175.49 2iuu s LEU 321 N -4.41 4.55 0.58 2.23 1.43 -1.01 -4.80 118.68 117.25 2iuu s LEU 321 Ca 0.07 1.40 -0.20 0.00 -1.03 0.00 0.00 54.13 54.36 2iuu s LEU 321 Cb 0.11 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2iuu s LEU 321 CO 0.48 0.25 1.30 0.47 0.23 0.00 0.00 176.35 179.08 2iuu n ASP 322 N 1.67 2.31 -4.81 2.29 8.00 -1.26 -4.95 116.55 119.80 2iuu n ASP 322 Ca -0.09 0.92 -0.32 0.00 0.71 0.00 0.00 54.79 56.01 2iuu n ASP 322 Cb 0.50 -1.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.06 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 -3.00 3.30 -0.06 -0.24 0.02 -1.26 -4.46 135.00 129.30 2iuu s PRO 323 Ca 0.75 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 2iuu s PRO 323 Cb -0.41 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.02 2iuu s PRO 323 CO 0.46 -0.82 1.76 0.00 -0.33 0.00 0.00 177.00 178.08 2iuu s ALA 324 N -2.58 3.51 0.67 -1.55 0.00 -1.26 -4.96 121.76 115.60 2iuu s ALA 324 Ca 0.62 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 2iuu s ALA 324 Cb -0.15 -3.80 0.01 0.00 0.00 0.00 0.00 23.12 19.17 2iuu s ALA 324 CO 0.40 -1.60 1.19 -1.21 0.00 0.00 0.00 175.76 174.54 2iuu s GLU 325 N 4.37 2.55 -0.46 0.00 2.02 -1.26 -4.81 118.70 121.10 2iuu s GLU 325 Ca 0.79 1.70 -0.36 0.00 0.02 0.00 0.00 54.97 57.12 2iuu s GLU 325 Cb -0.35 -1.89 -0.14 0.00 0.10 0.00 0.00 34.13 31.86 2iuu s GLU 325 CO 0.33 -1.51 2.26 0.28 0.02 0.00 0.00 175.26 176.64 2iuu n VAL 326 N -2.29 0.11 -1.77 2.63 0.31 -1.26 -4.79 118.33 111.26 2iuu n VAL 326 Ca 0.13 -0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 63.88 2iuu n VAL 326 Cb 0.50 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.99 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 8.17 1.78 -2.19 5.55 2.85 -1.26 -4.83 118.16 128.23 2iuu n LYS 327 Ca 0.46 -2.33 -0.41 0.00 -1.05 0.00 0.00 58.31 54.98 2iuu n LYS 327 Cb 0.18 -3.40 -0.01 0.00 -0.65 0.00 0.00 35.03 31.16 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 7.74 2.86 0.00 -1.58 7.27 -1.26 -4.80 117.38 127.61 2iuu n GLN 328 Ca 0.47 -2.92 0.00 0.00 0.07 0.00 0.00 57.00 54.63 2iuu n GLN 328 Cb 0.44 -3.42 0.00 0.00 2.41 0.00 0.00 30.24 29.67 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 7.57 0.31 -2.20 3.69 0.00 -1.26 -5.03 118.16 121.25 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 -8.81 -4.17 -5.58 3.41 -1.26 -4.99 113.62 92.22 2iuu n SER 330 Ca 0.00 1.58 -0.35 0.00 -0.26 0.00 0.00 58.87 59.84 2iuu n SER 330 Cb 0.00 -5.01 -0.14 0.00 -0.26 0.00 0.00 64.21 58.80 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 3.26 0.18 7.33 1.51 -1.26 -5.08 117.35 122.77 2iuu s TYR 331 Ca 0.00 -1.91 -0.30 0.00 -1.01 0.00 0.00 57.07 53.85 2iuu s TYR 331 Cb 0.00 -2.10 -0.17 0.00 -0.11 0.00 0.00 41.96 39.58 2iuu s TYR 331 CO 0.00 -0.81 0.69 -1.13 -1.11 0.00 0.00 175.55 173.19 2iuu n SER 332 N 4.61 -0.62 -0.04 2.29 3.41 -1.26 -4.55 113.62 117.45 2iuu n SER 332 Ca -0.13 1.14 0.24 0.00 -0.26 0.00 0.00 58.87 59.86 2iuu n SER 332 Cb 0.43 -1.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.53 0.00 0.17 4.33 0.11 -1.99 0.55 132.00 136.69 2iuu h PRO 333 Ca -0.33 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.47 2iuu h PRO 333 Cb 1.42 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.56 2iuu h PRO 333 CO 0.59 0.00 -1.28 1.05 -0.21 0.00 0.00 178.00 178.15 2iuu h GLU 334 N 0.00 0.57 0.37 1.05 4.11 -1.98 -2.38 114.58 116.32 2iuu h GLU 334 Ca 0.33 -0.84 -0.02 0.00 0.07 0.00 0.00 59.36 58.90 2iuu h GLU 334 Cb 1.89 0.29 0.00 0.00 0.50 0.00 0.00 28.75 31.44 2iuu h GLU 334 CO -0.00 1.39 -0.18 0.77 0.07 0.00 0.00 179.01 181.06 2iuu h SER 335 N 0.18 -0.42 -1.00 3.06 0.02 -0.22 0.48 113.55 115.65 2iuu h SER 335 Ca -0.21 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2iuu h SER 335 Cb 1.97 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 64.55 2iuu h SER 335 CO 0.24 -0.26 0.64 -0.07 -1.14 0.00 0.00 176.83 176.25 2iuu h LEU 336 N -0.55 1.01 -1.00 5.07 3.38 -1.51 -0.39 115.31 121.32 2iuu h LEU 336 Ca -0.05 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2iuu h LEU 336 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2iuu h LEU 336 CO 0.08 0.61 -0.44 -0.08 0.09 0.00 0.00 178.44 178.71 2iuu h GLU 337 N 1.13 0.13 0.61 1.13 4.22 -1.07 -1.73 114.58 118.99 2iuu h GLU 337 Ca 0.45 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.80 2iuu h GLU 337 Cb 0.26 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.51 2iuu h GLU 337 CO -0.20 0.55 -0.29 0.00 -2.18 0.00 0.00 179.01 176.89 2iuu h ALA 338 N 1.45 -0.81 -0.99 2.92 0.00 0.67 -2.74 119.26 119.75 2iuu h ALA 338 Ca 0.01 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 54.96 2iuu h ALA 338 Cb 0.83 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2iuu h ALA 338 CO 0.06 -0.79 0.65 1.98 0.00 0.00 0.00 179.25 181.15 2iuu h MET 339 N -1.15 0.37 -0.55 0.00 1.85 -1.13 0.37 114.93 114.69 2iuu h MET 339 Ca -0.08 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 58.98 2iuu h MET 339 Cb 0.66 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.58 2iuu h MET 339 CO 0.14 0.24 0.34 0.77 -0.40 0.00 0.00 176.91 177.99 2iuu h SER 340 N 0.38 0.66 0.11 1.39 0.02 -1.15 0.32 113.55 115.27 2iuu h SER 340 Ca 0.54 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.28 2iuu h SER 340 Cb 1.41 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2iuu h SER 340 CO -0.23 0.52 -0.57 0.03 -1.14 0.00 0.00 176.83 175.44 2iuu h ARG 341 N 0.74 0.48 0.12 3.45 -0.00 -0.68 -2.11 114.38 116.37 2iuu h ARG 341 Ca 0.20 -0.31 -0.00 0.00 -0.50 0.00 0.00 59.98 59.37 2iuu h ARG 341 Cb -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 29.98 2iuu h ARG 341 CO -0.04 0.91 -0.07 1.25 0.00 0.00 0.00 179.97 182.02 2iuu h LEU 342 N 0.36 -0.18 -0.13 3.04 6.46 -0.77 0.19 115.31 124.29 2iuu h LEU 342 Ca 0.00 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 2iuu h LEU 342 Cb 1.10 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 2iuu h LEU 342 CO 0.10 -0.12 -0.38 0.25 -0.62 0.00 0.00 178.44 177.67 2iuu h LEU 343 N -0.18 -1.19 -0.44 2.25 6.46 -0.85 0.11 115.31 121.47 2iuu h LEU 343 Ca -0.01 0.16 0.09 0.00 -0.12 0.00 0.00 57.88 58.00 2iuu h LEU 343 Cb 0.15 0.49 -0.08 0.00 -0.73 0.00 0.00 40.66 40.49 2iuu h LEU 343 CO 0.01 -0.40 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.02 2iuu h GLU 344 N -0.46 0.03 0.24 1.25 5.08 -1.05 -1.62 114.58 118.05 2iuu h GLU 344 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2iuu h GLU 344 Cb 0.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2iuu h GLU 344 CO -0.38 0.02 -0.24 0.82 -1.00 0.00 0.00 179.01 178.22 2iuu h ILE 345 N 0.03 0.48 -0.41 3.13 1.08 0.45 -1.51 117.51 120.75 2iuu h ILE 345 Ca 0.22 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 2iuu h ILE 345 Cb 0.33 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 2iuu h ILE 345 CO -0.43 0.00 0.21 0.11 -0.69 0.00 0.00 178.15 177.34 2iuu h LYS 346 N -0.51 0.41 -0.50 2.37 1.79 -0.55 0.13 116.57 119.71 2iuu h LYS 346 Ca -0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2iuu h LYS 346 Cb 0.48 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2iuu h LYS 346 CO -0.06 0.27 0.23 -0.07 -1.08 0.00 0.00 179.45 178.73 2iuu h LEU 347 N 0.42 0.63 -0.60 2.94 3.38 -1.22 -2.03 115.31 118.82 2iuu h LEU 347 Ca 0.17 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2iuu h LEU 347 Cb 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2iuu h LEU 347 CO -0.12 0.55 0.01 0.50 0.09 0.00 0.00 178.44 179.46 2iuu h LYS 348 N 0.70 1.05 -0.47 1.13 3.11 -0.28 -2.15 116.57 119.66 2iuu h LYS 348 Ca 0.17 -0.33 0.02 0.00 -2.81 0.00 0.00 60.65 57.71 2iuu h LYS 348 Cb 0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 2iuu h LYS 348 CO -0.02 1.03 0.31 0.93 -2.81 0.00 0.00 179.45 178.89 2iuu h GLU 349 N 0.95 0.53 0.00 1.90 5.08 -0.08 -3.40 114.58 119.56 2iuu h GLU 349 Ca 0.17 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2iuu h GLU 349 Cb 0.55 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2iuu h GLU 349 CO 0.03 0.35 0.01 1.19 -1.00 0.00 0.00 179.01 179.60 2iuu n PHE 350 N -4.47 -3.49 0.02 4.33 3.01 -0.82 -5.01 117.46 111.03 2iuu n PHE 350 Ca 0.05 -0.13 -0.12 0.00 1.01 0.00 0.00 57.45 58.26 2iuu n PHE 350 Cb 0.12 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 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 -0.07 -0.63 -3.46 1.37 0.00 -1.78 -3.46 103.07 95.04 2iuu h GLY 351 Ca -0.03 0.47 -0.51 0.00 0.00 0.00 0.00 47.33 47.26 2iuu h GLY 351 CO 0.03 -0.23 0.55 -1.34 0.00 0.00 0.00 176.54 175.55 2iuu s VAL 352 N -5.93 3.00 -0.23 4.60 -7.23 -1.18 -4.87 120.40 108.55 2iuu s VAL 352 Ca -0.16 0.91 -0.05 0.00 -1.81 0.00 0.00 61.98 60.88 2iuu s VAL 352 Cb 0.09 -3.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.48 2iuu s VAL 352 CO 0.65 0.15 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.87 2iuu s GLU 353 N -2.04 3.37 0.17 4.82 2.12 -1.26 -2.20 118.70 123.68 2iuu s GLU 353 Ca 0.53 -0.64 -0.07 0.00 0.36 0.00 0.00 54.97 55.16 2iuu s GLU 353 Cb -0.34 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 2iuu s GLU 353 CO 0.44 -0.23 0.23 0.54 -0.54 0.00 0.00 175.26 175.70 2iuu s VAL 354 N 1.50 0.06 -0.02 3.70 0.11 -1.26 -1.84 120.40 122.66 2iuu s VAL 354 Ca 0.05 -1.57 0.01 0.00 -2.93 0.00 0.00 61.98 57.54 2iuu s VAL 354 Cb -0.15 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.73 2iuu s VAL 354 CO -0.02 -0.28 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.49 2iuu s SER 355 N -3.01 0.60 0.25 3.54 1.04 -0.87 -4.77 113.70 110.48 2iuu s SER 355 Ca 0.21 -0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.26 2iuu s SER 355 Cb 0.04 -0.16 -0.10 0.00 0.10 0.00 0.00 66.02 65.89 2iuu s SER 355 CO 0.02 0.01 1.51 -0.69 0.98 0.00 0.00 173.24 175.07 2iuu s VAL 356 N 0.29 2.46 -0.13 5.02 1.01 -1.26 0.21 120.40 127.99 2iuu s VAL 356 Ca -0.03 0.37 0.15 0.00 0.00 0.00 0.00 61.98 62.47 2iuu s VAL 356 Cb -0.07 -3.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.87 2iuu s VAL 356 CO -0.00 0.05 0.12 -0.67 0.00 0.00 0.00 175.10 174.60 2iuu n ASP 357 N 2.54 1.12 -3.60 3.32 2.03 0.20 -4.83 116.55 117.33 2iuu n ASP 357 Ca 0.08 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.34 2iuu n ASP 357 Cb 0.39 1.06 -0.03 0.00 -0.72 0.00 0.00 41.12 41.82 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 -4.74 -0.17 -0.03 1.67 1.04 -1.06 -4.99 113.70 105.41 2iuu s SER 358 Ca -0.07 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.52 2iuu s SER 358 Cb 0.06 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2iuu s SER 358 CO 0.66 -0.22 -0.21 -0.69 0.98 0.00 0.00 173.24 173.76 2iuu s VAL 359 N -1.76 1.71 -0.37 5.02 1.01 -1.26 -1.14 120.40 123.61 2iuu s VAL 359 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2iuu s VAL 359 Cb -0.01 -1.43 0.13 0.00 0.00 0.00 0.00 36.38 35.07 2iuu s VAL 359 CO -0.04 0.48 0.19 -1.00 0.00 0.00 0.00 175.10 174.73 2iuu s HIS 360 N -0.35 1.36 0.58 5.22 3.76 0.10 -5.00 115.29 120.95 2iuu s HIS 360 Ca 0.04 -1.89 -0.17 0.00 -0.15 0.00 0.00 55.06 52.89 2iuu s HIS 360 Cb -0.10 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 2iuu s HIS 360 CO 0.00 -0.82 1.08 -1.25 -0.85 0.00 0.00 174.74 172.90 2iuu s PRO 361 N 0.98 3.31 0.15 8.40 0.04 -1.26 -1.58 135.00 145.04 2iuu s PRO 361 Ca 0.16 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.55 2iuu s PRO 361 Cb -0.22 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2iuu s PRO 361 CO -0.07 -0.83 0.18 0.41 0.04 0.00 0.00 177.00 176.72 2iuu n GLY 362 N -0.55 3.07 0.20 0.56 0.00 -0.39 -4.79 105.19 103.30 2iuu n GLY 362 Ca 0.10 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 0.65 0.00 1.61 0.11 -1.88 -3.38 132.00 129.11 2iuu h PRO 363 Ca -0.11 -0.13 -0.26 0.00 0.11 0.00 0.00 66.00 65.60 2iuu h PRO 363 Cb 0.54 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 2iuu h PRO 363 CO 0.16 0.62 -1.98 0.28 -0.21 0.00 0.00 178.00 176.87 2iuu n VAL 364 N -4.60 0.98 -4.47 3.15 0.31 -1.26 -1.61 118.33 110.84 2iuu n VAL 364 Ca 0.00 -0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 63.74 2iuu n VAL 364 Cb 0.16 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.79 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 -2.34 0.53 -0.07 2.52 -0.00 -1.26 -1.36 121.20 119.23 2iuu s ILE 365 Ca -0.23 -2.00 0.01 0.00 -0.00 0.00 0.00 60.65 58.43 2iuu s ILE 365 Cb 0.07 -2.40 0.02 0.00 -0.00 0.00 0.00 42.46 40.14 2iuu s ILE 365 CO 0.38 0.00 -0.08 -0.89 -0.00 0.00 0.00 174.94 174.35 2iuu s THR 366 N -3.29 0.84 -0.15 8.37 2.01 -0.33 -1.26 115.64 121.84 2iuu s THR 366 Ca 0.27 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2iuu s THR 366 Cb 0.03 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 2iuu s THR 366 CO 0.16 0.30 0.39 -0.60 -0.69 0.00 0.00 174.62 174.18 2iuu s ARG 367 N 1.04 4.29 -0.36 4.92 3.52 -0.62 -1.52 118.95 130.23 2iuu s ARG 367 Ca -0.08 0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.73 2iuu s ARG 367 Cb -0.14 -3.44 0.06 0.00 -1.56 0.00 0.00 34.95 29.86 2iuu s ARG 367 CO -0.00 0.17 0.13 -0.06 -0.81 0.00 0.00 175.30 174.72 2iuu s PHE 368 N 0.65 3.33 -0.27 5.12 0.40 0.77 -0.73 117.98 127.24 2iuu s PHE 368 Ca 0.21 -1.70 -0.29 0.00 -0.60 0.00 0.00 56.93 54.55 2iuu s PHE 368 Cb -0.14 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.86 2iuu s PHE 368 CO 0.07 -0.81 1.08 -1.21 0.70 0.00 0.00 175.22 175.05 2iuu s GLU 369 N 1.33 4.15 0.15 0.44 2.02 -0.29 -1.66 118.70 124.86 2iuu s GLU 369 Ca 0.00 1.22 0.07 0.00 0.02 0.00 0.00 54.97 56.29 2iuu s GLU 369 Cb -0.21 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.28 2iuu s GLU 369 CO 0.01 -0.79 -0.01 0.96 0.02 0.00 0.00 175.26 175.45 2iuu s ILE 370 N 3.48 3.71 -0.36 -1.63 -0.00 0.18 0.60 121.20 127.18 2iuu s ILE 370 Ca 0.46 -1.35 -0.05 0.00 -0.00 0.00 0.00 60.65 59.70 2iuu s ILE 370 Cb -0.14 -2.84 0.06 0.00 -0.00 0.00 0.00 42.46 39.54 2iuu s ILE 370 CO 0.12 -0.05 0.13 -1.58 -0.00 0.00 0.00 174.94 173.55 2iuu s GLN 371 N -2.77 2.48 0.42 0.37 2.00 0.13 -1.24 119.66 121.05 2iuu s GLN 371 Ca 0.26 -1.35 -0.26 0.00 -2.00 0.00 0.00 55.36 52.01 2iuu s GLN 371 Cb -0.10 -3.48 -0.09 0.00 0.80 0.00 0.00 33.01 30.15 2iuu s GLN 371 CO 0.18 -0.77 1.39 -2.14 -0.50 0.00 0.00 175.29 173.45 2iuu s PRO 372 N 1.33 3.86 1.17 1.67 0.02 -1.26 -2.06 135.00 139.74 2iuu s PRO 372 Ca 0.00 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.22 2iuu s PRO 372 Cb -0.21 -2.75 0.28 0.00 0.02 0.00 0.00 34.50 31.84 2iuu s PRO 372 CO 0.01 -0.65 1.04 0.00 -0.33 0.00 0.00 177.00 177.07 2iuu s ALA 373 N -1.21 -0.10 0.26 -1.55 0.00 -0.76 -4.89 121.76 113.51 2iuu s ALA 373 Ca 0.58 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2iuu s ALA 373 Cb -0.42 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 2iuu s ALA 373 CO 0.55 -3.70 1.57 0.00 0.00 0.00 0.00 175.76 174.18 2iuu s ALA 374 N -2.63 3.74 0.00 0.00 0.00 -1.26 -2.63 121.76 118.99 2iuu s ALA 374 Ca 0.68 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.14 2iuu s ALA 374 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2iuu s ALA 374 CO 0.61 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2iuu n GLY 375 N 2.51 2.99 3.71 0.00 0.00 -1.26 -5.01 105.19 108.13 2iuu n GLY 375 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.76 4.80 -0.01 1.61 0.11 -1.08 -5.02 120.40 118.06 2iuu s VAL 376 Ca 0.00 2.02 -0.16 0.00 -2.93 0.00 0.00 61.98 60.91 2iuu s VAL 376 Cb 0.00 -4.30 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 2iuu s VAL 376 CO 0.00 0.20 0.45 -0.54 -3.33 0.00 0.00 175.10 171.88 2iuu s LYS 377 N 0.77 4.05 0.34 1.54 1.02 -1.26 -4.85 119.74 121.34 2iuu s LYS 377 Ca 0.50 0.48 0.12 0.00 0.02 0.00 0.00 55.97 57.09 2iuu s LYS 377 Cb -0.21 -3.26 0.96 0.00 -0.52 0.00 0.00 37.83 34.80 2iuu s LYS 377 CO 0.28 0.59 1.72 0.28 -0.92 0.00 0.00 175.35 177.30 2iuu h VAL 378 N 3.84 0.49 -0.85 3.17 2.07 -1.96 -0.47 116.25 122.53 2iuu h VAL 378 Ca -0.49 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.04 2iuu h VAL 378 Cb 1.21 -0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 2iuu h VAL 378 CO 0.64 0.09 0.37 0.77 0.02 0.00 0.00 177.57 179.47 2iuu h SER 379 N 0.50 0.34 -0.78 0.57 4.64 -1.99 0.17 113.55 117.01 2iuu h SER 379 Ca 0.66 0.13 0.09 0.00 -0.47 0.00 0.00 61.79 62.20 2iuu h SER 379 Cb 1.37 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.49 2iuu h SER 379 CO -0.47 0.06 0.42 0.03 -0.87 0.00 0.00 176.83 176.01 2iuu h ARG 380 N 0.45 0.69 0.46 4.77 3.08 -1.49 0.24 114.38 122.58 2iuu h ARG 380 Ca 0.50 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 2iuu h ARG 380 Cb 0.87 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2iuu h ARG 380 CO -0.47 0.46 -0.22 0.82 -1.07 0.00 0.00 179.97 179.48 2iuu h ILE 381 N 0.71 0.51 -0.62 2.04 1.08 -0.81 -3.16 117.51 117.25 2iuu h ILE 381 Ca 0.38 -0.29 0.11 0.00 -0.39 0.00 0.00 64.86 64.67 2iuu h ILE 381 Cb 0.37 0.64 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 2iuu h ILE 381 CO -0.26 0.05 0.20 0.28 -0.69 0.00 0.00 178.15 177.73 2iuu h SER 382 N -0.80 0.15 -0.17 1.72 0.02 -0.83 -2.35 113.55 111.28 2iuu h SER 382 Ca -0.06 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2iuu h SER 382 Cb 0.56 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2iuu h SER 382 CO 0.10 0.08 0.19 0.78 -1.14 0.00 0.00 176.83 176.85 2iuu h ASN 383 N 0.35 0.00 -1.20 3.07 -0.26 -0.51 -2.53 115.58 114.50 2iuu h ASN 383 Ca 0.32 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.47 2iuu h ASN 383 Cb 0.45 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 37.30 2iuu h ASN 383 CO -0.36 0.00 -0.54 0.00 -1.06 0.00 0.00 177.43 175.48 2iuu n LEU 384 N -3.79 5.19 0.10 1.61 -0.00 -0.89 -4.61 117.00 114.61 2iuu n LEU 384 Ca 0.01 -4.94 -0.06 0.00 -0.00 0.00 0.00 56.01 51.03 2iuu n LEU 384 Cb 0.31 -0.49 0.02 0.00 -0.00 0.00 0.00 43.42 43.27 2iuu n LEU 384 CO 0.27 2.10 0.31 0.00 -0.00 0.00 0.00 177.39 180.07 2iuu h ALA 385 N 2.41 0.64 -0.05 1.47 0.00 -1.53 -0.77 119.26 121.42 2iuu h ALA 385 Ca 0.37 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2iuu h ALA 385 Cb 1.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2iuu h ALA 385 CO 0.90 0.95 -0.03 -0.22 0.00 0.00 0.00 179.25 180.86 2iuu h LYS 386 N 0.04 0.11 -0.29 0.00 1.63 -1.83 -1.92 116.57 114.30 2iuu h LYS 386 Ca -0.02 -0.05 -0.18 0.00 -0.85 0.00 0.00 60.65 59.55 2iuu h LYS 386 Cb 1.43 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 2iuu h LYS 386 CO 0.11 0.50 -0.51 -0.44 -3.45 0.00 0.00 179.45 175.66 2iuu h ASP 387 N -0.29 0.95 -0.85 4.20 5.19 -1.89 -2.67 116.42 121.07 2iuu h ASP 387 Ca 0.01 -0.53 0.04 0.00 -0.62 0.00 0.00 57.03 55.94 2iuu h ASP 387 Cb 0.47 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 2iuu h ASP 387 CO 0.01 1.30 0.54 0.25 -3.12 0.00 0.00 179.24 178.21 2iuu h LEU 388 N 0.64 0.88 -0.45 1.55 5.85 -1.18 0.71 115.31 123.31 2iuu h LEU 388 Ca 0.02 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2iuu h LEU 388 Cb 1.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2iuu h LEU 388 CO 0.12 0.59 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 2iuu h ALA 389 N 1.37 0.57 -0.47 1.25 0.00 -1.24 -1.13 119.26 119.61 2iuu h ALA 389 Ca 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2iuu h ALA 389 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2iuu h ALA 389 CO -0.13 -0.05 0.04 -0.09 0.00 0.00 0.00 179.25 179.03 2iuu h ARG 390 N 0.54 0.80 0.00 0.00 2.43 -0.88 -0.79 114.38 116.48 2iuu h ARG 390 Ca 0.18 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2iuu h ARG 390 Cb 0.01 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2iuu h ARG 390 CO -0.08 0.83 -0.06 0.66 -1.51 0.00 0.00 179.97 179.81 2iuu h SER 391 N 0.66 0.00 -0.01 -3.80 4.64 -0.52 -0.25 113.55 114.27 2iuu h SER 391 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2iuu h SER 391 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2iuu h SER 391 CO 0.02 0.06 -0.07 0.18 -0.87 0.00 0.00 176.83 176.15 2iuu n LEU 392 N -3.61 2.31 -2.24 5.97 4.77 -0.46 -4.96 117.00 118.78 2iuu n LEU 392 Ca -0.02 -0.77 -0.20 0.00 -0.03 0.00 0.00 56.01 54.99 2iuu n LEU 392 Cb 0.17 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2iuu n LEU 392 CO 0.28 0.39 -0.25 0.00 -1.33 0.00 0.00 177.39 176.48 2iuu n ALA 393 N 0.71 -0.58 -2.60 -1.18 0.00 -0.11 -5.00 120.51 111.76 2iuu n ALA 393 Ca 0.15 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 2iuu n ALA 393 Cb 0.49 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.75 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 -2.98 3.41 0.49 0.00 -7.23 -0.62 -5.03 120.40 108.45 2iuu s VAL 394 Ca 0.00 -1.39 0.14 0.00 -1.81 0.00 0.00 61.98 58.92 2iuu s VAL 394 Cb 0.00 -2.64 0.26 0.00 0.56 0.00 0.00 36.38 34.56 2iuu s VAL 394 CO 0.00 0.01 2.12 -0.29 -0.31 0.00 0.00 175.10 176.63 2iuu h ILE 395 N 2.96 1.03 -1.96 -0.62 2.10 -1.95 -3.38 117.51 115.69 2iuu h ILE 395 Ca -0.48 -0.07 0.23 0.00 1.08 0.00 0.00 64.86 65.62 2iuu h ILE 395 Cb 1.18 0.91 -0.11 0.00 -1.09 0.00 0.00 36.82 37.72 2iuu h ILE 395 CO 0.54 0.03 0.63 -0.94 -1.08 0.00 0.00 178.15 177.33 2iuu s SER 396 N -6.99 -0.14 -0.00 2.19 1.04 -1.26 -4.97 113.70 103.57 2iuu s SER 396 Ca -0.06 -0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 2iuu s SER 396 Cb 0.17 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2iuu s SER 396 CO 0.68 -0.63 0.05 0.54 0.98 0.00 0.00 173.24 174.87 2iuu s VAL 397 N -2.91 0.05 -0.23 5.02 0.11 -1.26 -4.36 120.40 116.81 2iuu s VAL 397 Ca 0.12 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 2iuu s VAL 397 Cb 0.01 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 2iuu s VAL 397 CO -0.01 -0.23 -0.02 -0.60 -3.33 0.00 0.00 175.10 170.91 2iuu s ARG 398 N -0.70 3.36 -0.40 1.54 3.52 -0.70 -4.92 118.95 120.65 2iuu s ARG 398 Ca -0.08 -0.64 -0.18 0.00 -0.13 0.00 0.00 55.73 54.70 2iuu s ARG 398 Cb -0.05 -3.07 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 2iuu s ARG 398 CO 0.00 -0.23 0.50 0.08 -0.81 0.00 0.00 175.30 174.85 2iuu s VAL 399 N 1.49 5.01 -0.67 7.11 1.01 -1.26 -1.13 120.40 131.96 2iuu s VAL 399 Ca 0.05 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2iuu s VAL 399 Cb -0.15 -4.04 0.11 0.00 0.00 0.00 0.00 36.38 32.31 2iuu s VAL 399 CO -0.02 -0.38 0.79 -0.69 0.00 0.00 0.00 175.10 174.80 2iuu s VAL 400 N 2.37 4.83 0.60 2.92 1.01 0.16 -4.93 120.40 127.36 2iuu s VAL 400 Ca 0.16 -1.14 0.38 0.00 0.00 0.00 0.00 61.98 61.38 2iuu s VAL 400 Cb -0.16 -4.55 0.38 0.00 0.00 0.00 0.00 36.38 32.05 2iuu s VAL 400 CO 0.15 -1.21 2.16 -0.33 0.00 0.00 0.00 175.10 175.87 2iuu h GLU 401 N 9.05 0.00 -3.01 2.72 5.08 -1.95 -1.34 114.58 125.13 2iuu h GLU 401 Ca -0.20 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.96 2iuu h GLU 401 Cb 1.07 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.02 2iuu h GLU 401 CO 1.08 0.00 -0.50 0.54 -1.00 0.00 0.00 179.01 179.13 2iuu s VAL 402 N -4.08 -0.09 -0.32 3.13 0.11 -1.26 -4.81 120.40 113.09 2iuu s VAL 402 Ca -0.04 0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.19 2iuu s VAL 402 Cb 0.11 -0.38 0.08 0.00 -1.53 0.00 0.00 36.38 34.66 2iuu s VAL 402 CO 0.34 0.07 0.01 -0.63 -3.33 0.00 0.00 175.10 171.56 2iuu s ILE 403 N 1.41 2.52 -0.12 7.04 1.01 -1.25 -4.97 121.20 126.84 2iuu s ILE 403 Ca -0.08 -1.90 -0.35 0.00 0.00 0.00 0.00 60.65 58.32 2iuu s ILE 403 Cb -0.11 -2.64 -0.17 0.00 0.01 0.00 0.00 42.46 39.55 2iuu s ILE 403 CO -0.08 -0.34 1.02 -2.65 0.00 0.00 0.00 174.94 172.89 2iuu n PRO 404 N 4.42 0.00 0.00 2.79 -0.02 -1.26 -1.80 135.00 139.13 2iuu n PRO 404 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2iuu n PRO 404 Cb 0.42 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 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 1.86 1.79 3.94 -1.23 0.00 -1.26 -4.98 105.19 105.32 2iuu n GLY 405 Ca 0.19 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 2.92 0.00 1.61 1.02 -0.75 -4.99 119.74 119.55 2iuu s LYS 406 Ca 0.00 -0.37 0.20 0.00 0.02 0.00 0.00 55.97 55.82 2iuu s LYS 406 Cb 0.00 -2.45 0.52 0.00 -0.52 0.00 0.00 37.83 35.38 2iuu s LYS 406 CO 0.00 -0.50 1.44 0.25 -0.92 0.00 0.00 175.35 175.62 2iuu n THR 407 N -2.30 0.87 -2.76 2.17 -2.24 -1.26 -4.68 114.28 104.07 2iuu n THR 407 Ca 0.03 -0.93 -0.25 0.00 -2.27 0.00 0.00 64.05 60.63 2iuu n THR 407 Cb 0.58 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.45 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 4.04 0.30 4.28 -4.23 -1.26 -4.78 115.64 112.89 2iuu s THR 408 Ca 0.41 -0.24 0.10 0.00 -1.18 0.00 0.00 61.69 60.78 2iuu s THR 408 Cb 0.22 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 2iuu s THR 408 CO 0.29 -0.45 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.19 2iuu s VAL 409 N -2.72 2.90 0.09 2.29 1.01 -0.37 -3.86 120.40 119.75 2iuu s VAL 409 Ca 0.50 -2.05 0.09 0.00 0.00 0.00 0.00 61.98 60.52 2iuu s VAL 409 Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2iuu s VAL 409 CO 0.41 -0.31 -0.23 -0.83 0.00 0.00 0.00 175.10 174.14 2iuu s GLY 410 N -3.65 1.32 -0.13 4.51 0.00 -0.51 -0.65 107.32 108.21 2iuu s GLY 410 Ca 0.32 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 2iuu s GLY 410 CO 0.19 -1.23 -0.03 -0.42 0.00 0.00 0.00 173.10 171.61 2iuu s ILE 411 N -1.02 0.79 -0.43 0.90 1.01 -0.66 -0.67 121.20 121.12 2iuu s ILE 411 Ca 0.09 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 2iuu s ILE 411 Cb -0.10 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.45 2iuu s ILE 411 CO 0.04 0.19 0.33 -1.61 0.00 0.00 0.00 174.94 173.89 2iuu s GLU 412 N 1.79 2.96 -0.15 2.79 2.02 -0.29 -0.17 118.70 127.65 2iuu s GLU 412 Ca 0.03 -1.15 -0.07 0.00 0.02 0.00 0.00 54.97 53.80 2iuu s GLU 412 Cb -0.14 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 2iuu s GLU 412 CO -0.07 -0.85 0.10 0.42 0.02 0.00 0.00 175.26 174.88 2iuu s ILE 413 N 1.66 5.14 0.21 -1.63 1.01 -0.57 -1.71 121.20 125.29 2iuu s ILE 413 Ca 0.04 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.47 2iuu s ILE 413 Cb -0.21 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.88 2iuu s ILE 413 CO 0.09 0.53 1.52 -2.84 0.00 0.00 0.00 174.94 174.23 2iuu s PRO 414 N -0.27 4.23 0.54 2.79 0.02 -1.26 -1.19 135.00 139.86 2iuu s PRO 414 Ca 0.10 2.35 -0.19 0.00 0.02 0.00 0.00 61.00 63.28 2iuu s PRO 414 Cb -0.12 -3.13 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 2iuu s PRO 414 CO 0.01 -0.54 1.12 -0.80 -0.33 0.00 0.00 177.00 176.46 2iuu s ASN 415 N 0.80 5.76 0.21 2.53 0.02 -0.47 -4.89 114.94 118.92 2iuu s ASN 415 Ca 0.65 2.14 -0.09 0.00 -1.02 0.00 0.00 52.86 54.54 2iuu s ASN 415 Cb -0.43 -2.58 0.17 0.00 0.02 0.00 0.00 41.25 38.43 2iuu s ASN 415 CO 0.37 -1.19 1.84 -0.33 0.02 0.00 0.00 177.10 177.81 2iuu h GLU 416 N 1.17 1.09 -4.67 -0.60 5.08 -1.93 -3.36 114.58 111.37 2iuu h GLU 416 Ca -0.50 -0.12 -0.68 0.00 -1.00 0.00 0.00 59.36 57.06 2iuu h GLU 416 Cb 1.26 -0.22 -0.35 0.00 0.50 0.00 0.00 28.75 29.94 2iuu h GLU 416 CO 0.57 0.79 -0.66 -0.51 -1.00 0.00 0.00 179.01 178.21 2iuu s ASP 417 N -6.08 4.97 -0.10 1.42 1.01 -1.26 -5.07 116.67 111.57 2iuu s ASP 417 Ca -0.13 -1.68 -0.30 0.00 0.71 0.00 0.00 52.55 51.15 2iuu s ASP 417 Cb 0.15 -1.73 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 2iuu s ASP 417 CO 0.80 -0.37 1.19 -0.60 0.21 0.00 0.00 175.17 176.40 2iuu s ARG 418 N 1.15 4.32 -0.02 8.23 3.52 -1.26 -4.93 118.95 129.96 2iuu s ARG 418 Ca 0.02 1.63 -0.17 0.00 -0.13 0.00 0.00 55.73 57.07 2iuu s ARG 418 Cb -0.21 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 2iuu s ARG 418 CO -0.03 -0.51 0.48 1.14 -0.81 0.00 0.00 175.30 175.56 2iuu s GLN 419 N 2.59 4.14 0.68 5.12 -2.07 -0.63 -5.02 119.66 124.47 2iuu s GLN 419 Ca 0.54 0.52 -0.13 0.00 -1.82 0.00 0.00 55.36 54.47 2iuu s GLN 419 Cb -0.23 -3.30 0.01 0.00 -1.09 0.00 0.00 33.01 28.40 2iuu s GLN 419 CO 0.19 0.49 1.09 1.41 -1.32 0.00 0.00 175.29 177.15 2iuu s MET 420 N -0.50 2.76 -0.24 9.60 -2.45 -1.26 -4.54 119.30 122.66 2iuu s MET 420 Ca 0.26 1.23 -0.01 0.00 -1.25 0.00 0.00 55.69 55.92 2iuu s MET 420 Cb -0.17 -1.96 0.03 0.00 1.25 0.00 0.00 34.83 33.99 2iuu s MET 420 CO 0.14 -1.26 -0.08 0.08 1.05 0.00 0.00 175.02 174.95 2iuu s VAL 421 N -2.62 2.71 0.18 10.11 1.01 -1.26 -4.95 120.40 125.57 2iuu s VAL 421 Ca 0.63 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 2iuu s VAL 421 Cb -0.18 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 2iuu s VAL 421 CO 0.47 0.19 0.63 -0.13 0.00 0.00 0.00 175.10 176.26 2iuu s ARG 422 N 1.29 4.10 0.20 2.72 1.81 -1.26 0.20 118.95 128.01 2iuu s ARG 422 Ca -0.01 0.66 -0.11 0.00 -1.72 0.00 0.00 55.73 54.55 2iuu s ARG 422 Cb -0.17 -2.91 0.24 0.00 -0.45 0.00 0.00 34.95 31.66 2iuu s ARG 422 CO -0.05 0.44 1.72 0.35 -0.68 0.00 0.00 175.30 177.08 2iuu h PHE 423 N 3.50 0.23 -0.85 -0.53 -0.00 -1.76 -0.32 116.94 117.21 2iuu h PHE 423 Ca -0.48 0.03 0.18 0.00 -0.00 0.00 0.00 57.97 57.70 2iuu h PHE 423 Cb 1.19 -0.02 -0.06 0.00 -0.00 0.00 0.00 35.95 37.07 2iuu h PHE 423 CO 0.65 0.01 0.56 0.66 -0.00 0.00 0.00 178.31 180.19 2iuu h SER 424 N 0.28 0.42 0.63 0.41 4.64 -1.88 0.44 113.55 118.49 2iuu h SER 424 Ca 0.28 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2iuu h SER 424 Cb 0.38 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2iuu h SER 424 CO -0.34 0.19 0.00 -0.08 -0.87 0.00 0.00 176.83 175.73 2iuu h GLU 425 N 0.43 0.00 0.00 4.77 4.81 -1.36 -2.41 114.58 120.81 2iuu h GLU 425 Ca 0.43 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 59.21 2iuu h GLU 425 Cb 1.02 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 2iuu h GLU 425 CO -0.16 0.00 -2.52 0.28 -0.73 0.00 0.00 179.01 175.88 2iuu n VAL 426 N -2.44 1.50 0.31 0.32 0.31 0.14 -4.41 118.33 114.07 2iuu n VAL 426 Ca 0.01 -0.41 0.13 0.00 -0.01 0.00 0.00 64.34 64.06 2iuu n VAL 426 Cb 0.21 -1.81 0.58 0.00 -0.91 0.00 0.00 33.84 31.90 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 -0.85 0.00 -0.52 7.52 3.38 -1.35 -2.29 115.31 121.21 2iuu h LEU 427 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2iuu h LEU 427 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2iuu h LEU 427 CO -0.38 0.00 0.00 0.77 0.09 0.00 0.00 178.44 178.92 2iuu h SER 428 N 0.00 0.00 -4.22 -0.43 4.64 -1.64 -3.39 113.55 108.51 2iuu h SER 428 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2iuu h SER 428 Cb 0.25 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.51 2iuu h SER 428 CO 0.00 0.00 0.34 -0.94 -0.87 0.00 0.00 176.83 175.36 2iuu s SER 429 N -4.96 3.80 0.32 4.97 1.04 -0.86 -4.87 113.70 113.14 2iuu s SER 429 Ca 0.06 2.28 0.14 0.00 0.48 0.00 0.00 55.95 58.90 2iuu s SER 429 Cb 0.09 -2.58 0.53 0.00 0.10 0.00 0.00 66.02 64.17 2iuu s SER 429 CO 0.53 -2.53 1.69 1.55 0.98 0.00 0.00 173.24 175.47 2iuu h PRO 430 N -0.85 0.00 -0.74 4.02 0.13 -1.90 -2.30 132.00 130.36 2iuu h PRO 430 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2iuu h PRO 430 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2iuu h PRO 430 CO 0.47 0.50 0.47 0.93 -0.23 0.00 0.00 178.00 180.14 2iuu h GLU 431 N 0.00 0.99 0.01 0.86 3.07 -1.94 0.13 114.58 117.71 2iuu h GLU 431 Ca -0.00 -0.07 -0.26 0.00 -0.50 0.00 0.00 59.36 58.52 2iuu h GLU 431 Cb 0.96 -0.22 0.02 0.00 -0.84 0.00 0.00 28.75 28.67 2iuu h GLU 431 CO 0.06 0.68 -1.04 -0.92 -1.40 0.00 0.00 179.01 176.39 2iuu h TYR 432 N 1.01 0.93 -0.07 4.33 3.20 -1.84 -2.73 116.97 121.80 2iuu h TYR 432 Ca 0.27 -0.51 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 2iuu h TYR 432 Cb -0.08 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2iuu h TYR 432 CO -0.02 1.35 0.03 0.22 -1.64 0.00 0.00 178.16 178.11 2iuu h ASP 433 N 0.34 0.09 -0.10 -2.11 1.82 -1.06 -2.90 116.42 112.51 2iuu h ASP 433 Ca -0.12 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2iuu h ASP 433 Cb 1.69 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.68 2iuu h ASP 433 CO 0.20 0.20 0.00 -0.62 -1.61 0.00 0.00 179.24 177.40 2iuu n GLU 434 N -4.97 1.46 -1.87 0.28 1.02 0.44 -4.91 120.64 112.09 2iuu n GLU 434 Ca -0.06 -0.69 -0.42 0.00 -0.02 0.00 0.00 57.16 55.97 2iuu n GLU 434 Cb 0.09 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.88 2.97 -1.06 -0.32 2.46 -1.03 -4.91 115.29 111.52 2iuu s HIS 435 Ca 0.32 0.64 0.25 0.00 0.47 0.00 0.00 55.06 56.74 2iuu s HIS 435 Cb 0.16 -3.98 0.53 0.00 -0.13 0.00 0.00 32.58 29.16 2iuu s HIS 435 CO 0.26 -3.55 1.43 1.17 -2.47 0.00 0.00 174.74 171.57 2iuu n LYS 436 N 3.46 0.07 -2.28 2.88 4.81 -1.26 -4.95 118.16 120.89 2iuu n LYS 436 Ca 0.12 -0.04 -0.33 0.00 -0.87 0.00 0.00 58.31 57.20 2iuu n LYS 436 Cb 0.38 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.96 6.12 0.33 3.14 0.15 -1.26 -4.95 113.70 114.27 2iuu s SER 437 Ca 0.12 1.81 0.24 0.00 0.70 0.00 0.00 55.95 58.82 2iuu s SER 437 Cb 0.18 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.37 2iuu s SER 437 CO 0.68 -0.93 1.57 0.71 1.20 0.00 0.00 173.24 176.47 2iuu h THR 438 N 0.90 0.00 -2.12 6.45 1.35 -1.92 -3.37 112.91 114.19 2iuu h THR 438 Ca -0.48 -0.83 -0.55 0.00 -0.55 0.00 0.00 66.41 64.00 2iuu h THR 438 Cb 1.21 1.75 -0.41 0.00 -1.73 0.00 0.00 68.15 68.98 2iuu h THR 438 CO 0.59 0.00 -0.91 1.33 -0.25 0.00 0.00 175.52 176.28 2iuu n VAL 439 N -2.78 1.19 -2.56 6.82 0.24 -1.26 -4.54 118.33 115.45 2iuu n VAL 439 Ca 0.04 -4.91 -0.33 0.00 -2.04 0.00 0.00 64.34 57.10 2iuu n VAL 439 Cb 0.50 -1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 31.60 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 -2.55 4.00 -0.23 7.34 0.04 -1.26 -1.90 135.00 140.43 2iuu s PRO 440 Ca 0.42 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2iuu s PRO 440 Cb 0.26 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.72 2iuu s PRO 440 CO -0.09 -0.23 -0.03 -0.51 0.04 0.00 0.00 177.00 176.17 2iuu s LEU 441 N -3.66 2.40 -0.55 -3.56 1.43 0.16 -4.03 118.68 110.87 2iuu s LEU 441 Ca 0.62 -1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.32 2iuu s LEU 441 Cb -0.11 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.06 2iuu s LEU 441 CO 0.23 -0.25 0.92 0.00 0.23 0.00 0.00 176.35 177.47 2iuu s ALA 442 N 1.46 3.18 -0.00 4.21 0.00 -1.26 -0.40 121.76 128.95 2iuu s ALA 442 Ca -0.04 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.45 2iuu s ALA 442 Cb -0.19 -3.71 -0.32 0.00 0.00 0.00 0.00 23.12 18.91 2iuu s ALA 442 CO -0.07 -2.36 0.98 -0.07 0.00 0.00 0.00 175.76 174.24 2iuu h LEU 443 N 10.88 0.66 0.00 0.00 3.38 -1.58 -3.44 115.31 125.21 2iuu h LEU 443 Ca -0.26 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.80 2iuu h LEU 443 Cb 1.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2iuu h LEU 443 CO 1.08 1.51 0.00 0.61 0.09 0.00 0.00 178.44 181.73 2iuu n GLY 444 N 1.58 -0.22 3.54 0.83 0.00 -1.24 -2.40 105.19 107.27 2iuu n GLY 444 Ca -0.14 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 2.71 1.02 1.61 3.76 -0.76 -0.60 115.29 119.03 2iuu s HIS 445 Ca 0.00 -0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 54.58 2iuu s HIS 445 Cb 0.00 -1.49 0.22 0.00 1.11 0.00 0.00 32.58 32.42 2iuu s HIS 445 CO 0.00 0.35 1.27 0.16 -0.85 0.00 0.00 174.74 175.66 2iuu s ASP 446 N -1.70 2.57 0.12 1.40 1.47 0.14 0.13 116.67 120.80 2iuu s ASP 446 Ca 0.18 0.37 0.07 0.00 1.18 0.00 0.00 52.55 54.34 2iuu s ASP 446 Cb -0.11 -0.47 0.37 0.00 -0.34 0.00 0.00 42.92 42.38 2iuu s ASP 446 CO 0.09 -3.08 1.16 2.30 0.68 0.00 0.00 175.17 176.32 2iuu n ILE 447 N -4.02 1.45 0.11 2.11 -6.64 -1.25 -0.66 119.36 110.47 2iuu n ILE 447 Ca 0.15 0.59 0.09 0.00 -1.77 0.00 0.00 62.75 61.80 2iuu n ILE 447 Cb 0.59 -1.59 0.18 0.00 -1.44 0.00 0.00 39.64 37.38 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 -1.39 1.74 1.34 3.28 0.00 -1.26 -3.92 105.19 104.98 2iuu n GLY 448 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.06 1.08 3.77 -0.02 0.00 0.17 -4.85 105.19 106.40 2iuu n GLY 449 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.55 4.66 0.16 1.61 0.52 -1.26 -4.69 118.95 119.40 2iuu s ARG 450 Ca 0.00 1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 56.31 2iuu s ARG 450 Cb 0.00 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.43 2iuu s ARG 450 CO 0.00 0.34 1.16 -1.25 0.02 0.00 0.00 175.30 175.58 2iuu s PRO 451 N -1.76 4.51 -0.38 3.54 0.04 -1.26 0.23 135.00 139.93 2iuu s PRO 451 Ca 0.47 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 63.22 2iuu s PRO 451 Cb -0.22 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.09 2iuu s PRO 451 CO 0.27 -0.07 0.20 0.42 0.04 0.00 0.00 177.00 177.86 2iuu s ILE 452 N 0.12 4.29 -0.13 0.56 -1.09 0.23 -4.89 121.20 120.30 2iuu s ILE 452 Ca 0.53 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2iuu s ILE 452 Cb -0.31 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2iuu s ILE 452 CO 0.34 -0.30 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.98 2iuu s ILE 453 N 1.48 2.94 0.40 2.92 1.09 -1.26 -1.29 121.20 127.48 2iuu s ILE 453 Ca 0.01 -0.70 0.05 0.00 -1.10 0.00 0.00 60.65 58.91 2iuu s ILE 453 Cb -0.20 -2.22 -0.06 0.00 -1.06 0.00 0.00 42.46 38.92 2iuu s ILE 453 CO 0.05 0.53 0.03 0.42 -0.10 0.00 0.00 174.94 175.87 2iuu s THR 454 N 0.35 1.50 -0.30 2.92 -4.23 0.47 -4.94 115.64 111.40 2iuu s THR 454 Ca -0.12 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 2iuu s THR 454 Cb -0.16 -2.75 0.08 0.00 1.34 0.00 0.00 72.50 71.01 2iuu s THR 454 CO 0.06 0.00 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.50 2iuu s ASP 455 N -3.66 4.66 0.21 3.99 3.68 -1.26 0.40 116.67 124.70 2iuu s ASP 455 Ca 0.30 -1.68 -0.10 0.00 2.13 0.00 0.00 52.55 53.20 2iuu s ASP 455 Cb 0.08 -1.62 0.30 0.00 -1.45 0.00 0.00 42.92 40.24 2iuu s ASP 455 CO 0.15 -0.29 1.69 0.25 0.13 0.00 0.00 175.17 177.10 2iuu h LEU 456 N 7.76 -0.10 -2.01 -1.34 6.46 -1.71 0.17 115.31 124.54 2iuu h LEU 456 Ca -0.14 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2iuu h LEU 456 Cb 1.04 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2iuu h LEU 456 CO 0.50 -0.04 0.16 0.00 -0.62 0.00 0.00 178.44 178.45 2iuu h ALA 457 N 1.52 1.15 -0.01 1.25 0.00 -1.85 0.68 119.26 122.00 2iuu h ALA 457 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2iuu h ALA 457 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2iuu h ALA 457 CO -0.45 -0.15 -0.66 1.63 0.00 0.00 0.00 179.25 179.62 2iuu n LYS 458 N -2.69 1.09 0.00 0.00 4.76 0.55 -4.60 118.16 117.28 2iuu n LYS 458 Ca -0.02 -0.45 -0.12 0.00 -2.87 0.00 0.00 58.31 54.85 2iuu n LYS 458 Cb 0.21 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 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 1.07 0.05 -0.49 1.97 2.86 -0.51 -3.47 114.93 116.41 2iuu h MET 459 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2iuu h MET 459 Cb 0.56 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2iuu h MET 459 CO 0.00 0.25 0.00 -0.35 1.06 0.00 0.00 176.91 177.87 2iuu n PRO 460 N -4.95 3.32 -3.88 -0.22 -0.04 -1.26 -4.31 135.00 123.67 2iuu n PRO 460 Ca -0.07 -2.66 -0.11 0.00 -0.04 0.00 0.00 63.50 60.62 2iuu n PRO 460 Cb 0.13 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.78 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 -1.82 0.07 -0.04 0.54 3.76 -1.26 -4.18 115.29 112.37 2iuu s HIS 461 Ca 0.42 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 2iuu s HIS 461 Cb 0.28 -0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.91 2iuu s HIS 461 CO 0.19 -0.33 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.49 2iuu s LEU 462 N -1.63 1.72 -0.17 0.89 2.96 0.13 -3.99 118.68 118.59 2iuu s LEU 462 Ca -0.12 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2iuu s LEU 462 Cb -0.05 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 2iuu s LEU 462 CO -0.00 0.05 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.29 2iuu s LEU 463 N 0.35 3.25 -0.08 -0.68 1.43 -1.05 -0.40 118.68 121.49 2iuu s LEU 463 Ca -0.06 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 2iuu s LEU 463 Cb -0.11 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2iuu s LEU 463 CO 0.01 0.14 -0.14 -0.69 0.23 0.00 0.00 176.35 175.91 2iuu s VAL 464 N 0.52 1.30 0.04 -1.59 1.01 0.13 -1.08 120.40 120.73 2iuu s VAL 464 Ca -0.03 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2iuu s VAL 464 Cb -0.14 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2iuu s VAL 464 CO 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 175.10 175.40 2iuu s ALA 465 N 0.82 1.00 -0.30 5.51 0.00 -0.93 -0.99 121.76 126.87 2iuu s ALA 465 Ca -0.11 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2iuu s ALA 465 Cb -0.15 -0.14 0.22 0.00 0.00 0.00 0.00 23.12 23.04 2iuu s ALA 465 CO 0.02 0.17 1.29 0.20 0.00 0.00 0.00 175.76 177.44 2iuu s GLY 466 N -1.13 0.66 0.84 0.00 0.00 -0.84 -0.45 107.32 106.40 2iuu s GLY 466 Ca -0.00 3.90 -0.11 0.00 0.00 0.00 0.00 44.72 48.50 2iuu s GLY 466 CO 0.01 2.85 1.09 -0.51 0.00 0.00 0.00 173.10 176.54 2iuu s THR 467 N 1.11 2.98 0.26 0.90 -4.23 -0.76 -4.09 115.64 111.81 2iuu s THR 467 Ca -0.07 0.32 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 2iuu s THR 467 Cb -0.02 -2.87 -0.13 0.00 1.34 0.00 0.00 72.50 70.82 2iuu s THR 467 CO -0.10 -0.42 1.37 0.35 -0.54 0.00 0.00 174.62 175.29 2iuu n THR 468 N -3.66 1.17 -0.08 3.99 -2.24 -1.26 -1.58 114.28 110.61 2iuu n THR 468 Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2iuu n THR 468 Cb 0.55 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 1.88 0.63 0.21 3.38 0.00 -1.26 -4.93 105.19 105.09 2iuu n GLY 469 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.58 -3.25 113.55 114.97 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 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 2iuu n GLY 471 N 1.10 1.52 0.14 -0.77 0.00 -1.26 -0.20 105.19 105.73 2iuu n GLY 471 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.39 -0.45 1.61 3.64 -1.89 -2.41 116.57 117.46 2iuu h LYS 472 Ca 0.00 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2iuu h LYS 472 Cb 0.04 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2iuu h LYS 472 CO 0.00 0.77 0.28 0.77 -2.27 0.00 0.00 179.45 179.00 2iuu h SER 473 N 0.03 0.46 -0.66 4.20 0.02 -1.95 0.07 113.55 115.72 2iuu h SER 473 Ca 0.02 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2iuu h SER 473 Cb 0.70 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2iuu h SER 473 CO 0.04 0.33 0.40 0.58 -1.14 0.00 0.00 176.83 177.04 2iuu h VAL 474 N 0.56 1.19 -0.09 2.27 2.07 -1.92 -0.98 116.25 119.35 2iuu h VAL 474 Ca 0.17 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2iuu h VAL 474 Cb -0.02 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2iuu h VAL 474 CO -0.07 0.20 -0.06 1.23 0.02 0.00 0.00 177.57 178.89 2iuu h GLY 475 N 0.90 0.14 0.93 2.17 0.00 -0.81 0.17 103.07 106.57 2iuu h GLY 475 Ca 0.24 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.35 2iuu h GLY 475 CO -0.04 0.06 -0.52 -2.08 0.00 0.00 0.00 176.54 173.96 2iuu h VAL 476 N 0.13 1.35 -0.56 4.60 2.07 -0.32 -1.84 116.25 121.67 2iuu h VAL 476 Ca 0.03 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 2iuu h VAL 476 Cb 0.20 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2iuu h VAL 476 CO 0.01 0.55 0.32 0.78 0.02 0.00 0.00 177.57 179.26 2iuu h ASN 477 N 0.22 0.66 -0.62 0.57 2.35 -0.06 0.60 115.58 119.31 2iuu h ASN 477 Ca -0.03 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2iuu h ASN 477 Cb 1.16 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2iuu h ASN 477 CO 0.11 0.52 0.10 0.00 -1.65 0.00 0.00 177.43 176.51 2iuu h ALA 478 N 1.60 0.98 0.07 -0.83 0.00 -0.54 0.25 119.26 120.79 2iuu h ALA 478 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2iuu h ALA 478 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2iuu h ALA 478 CO -0.04 0.64 -0.03 0.52 0.00 0.00 0.00 179.25 180.34 2iuu h MET 479 N 0.98 -0.09 -0.61 0.00 2.86 -0.19 -1.00 114.93 116.88 2iuu h MET 479 Ca 0.20 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2iuu h MET 479 Cb 0.42 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2iuu h MET 479 CO 0.01 0.03 0.34 -0.07 1.06 0.00 0.00 176.91 178.28 2iuu h LEU 480 N -0.20 0.76 -1.54 1.22 3.38 -0.75 -1.85 115.31 116.33 2iuu h LEU 480 Ca -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2iuu h LEU 480 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2iuu h LEU 480 CO 0.02 0.62 -0.24 -0.07 0.09 0.00 0.00 178.44 178.87 2iuu h LEU 481 N 0.83 0.00 -1.13 1.67 4.07 -0.86 -1.16 115.31 118.72 2iuu h LEU 481 Ca 0.22 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.13 2iuu h LEU 481 Cb 0.03 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 2iuu h LEU 481 CO -0.04 0.24 0.10 0.28 -1.08 0.00 0.00 178.44 177.94 2iuu h SER 482 N 0.00 0.67 0.27 -0.43 0.02 -0.32 -1.36 113.55 112.39 2iuu h SER 482 Ca -0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2iuu h SER 482 Cb 0.51 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2iuu h SER 482 CO 0.03 0.67 -0.13 0.40 -1.14 0.00 0.00 176.83 176.66 2iuu h ILE 483 N 0.69 0.14 -0.02 3.27 1.08 -1.17 -3.31 117.51 118.20 2iuu h ILE 483 Ca 0.15 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.83 2iuu h ILE 483 Cb 0.28 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 2iuu h ILE 483 CO -0.00 0.04 0.40 -0.07 -0.69 0.00 0.00 178.15 177.83 2iuu h LEU 484 N -1.07 0.00 -0.63 1.44 3.38 -1.16 0.23 115.31 117.49 2iuu h LEU 484 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2iuu h LEU 484 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2iuu h LEU 484 CO 0.06 0.00 -0.33 0.49 0.09 0.00 0.00 178.44 178.75 2iuu n PHE 485 N -2.89 0.00 0.00 1.13 0.99 -0.52 -4.42 117.46 111.75 2iuu n PHE 485 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2iuu n PHE 485 Cb 0.45 -0.09 0.00 0.00 -1.00 0.00 0.00 39.48 38.84 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 -0.48 1.96 -4.33 -1.08 4.81 0.64 -4.93 118.16 114.75 2iuu n LYS 486 Ca 0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.30 2iuu n LYS 486 Cb 0.38 -0.86 -0.12 0.00 0.02 0.00 0.00 35.03 34.45 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 -1.69 2.79 0.32 3.14 0.01 -0.25 -5.04 113.70 112.99 2iuu s SER 487 Ca 0.00 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.55 2iuu s SER 487 Cb 0.00 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 2iuu s SER 487 CO 0.00 0.07 0.48 0.42 0.41 0.00 0.00 173.24 174.62 2iuu s THR 488 N -1.33 4.72 0.63 1.44 -4.23 -1.26 -4.68 115.64 110.92 2iuu s THR 488 Ca 0.11 -0.80 0.28 0.00 -1.18 0.00 0.00 61.69 60.10 2iuu s THR 488 Cb -0.09 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.39 2iuu s THR 488 CO 0.05 -0.34 1.86 -0.65 -0.54 0.00 0.00 174.62 175.01 2iuu h PRO 489 N 0.89 0.00 -0.01 3.99 0.11 -1.90 0.31 132.00 135.40 2iuu h PRO 489 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2iuu h PRO 489 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2iuu h PRO 489 CO 0.58 0.00 -0.21 -1.13 -0.21 0.00 0.00 178.00 177.03 2iuu n SER 490 N -3.28 0.83 -0.05 -2.05 3.41 -1.26 -3.87 113.62 107.35 2iuu n SER 490 Ca 0.03 -0.76 -0.05 0.00 -0.26 0.00 0.00 58.87 57.83 2iuu n SER 490 Cb 0.56 0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.77 2.33 -3.70 4.33 1.02 0.99 -4.00 120.64 120.84 2iuu n GLU 491 Ca 0.13 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 2iuu n GLU 491 Cb 0.32 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.24 -0.89 0.19 0.62 0.00 -0.55 -0.64 121.76 118.24 2iuu s ALA 492 Ca -0.05 1.33 0.10 0.00 0.00 0.00 0.00 51.96 53.34 2iuu s ALA 492 Cb 0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2iuu s ALA 492 CO 0.41 -0.35 -0.15 1.03 0.00 0.00 0.00 175.76 176.70 2iuu s ARG 493 N 1.63 1.85 0.06 0.00 1.81 0.77 -4.26 118.95 120.80 2iuu s ARG 493 Ca -0.07 -1.38 0.06 0.00 -1.72 0.00 0.00 55.73 52.62 2iuu s ARG 493 Cb -0.10 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.35 2iuu s ARG 493 CO -0.11 0.42 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.24 2iuu s LEU 494 N -2.80 2.21 -0.20 2.53 1.43 0.87 -0.69 118.68 122.04 2iuu s LEU 494 Ca 0.24 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2iuu s LEU 494 Cb -0.08 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.43 2iuu s LEU 494 CO 0.13 0.06 -0.09 -0.63 0.23 0.00 0.00 176.35 176.05 2iuu s ILE 495 N -0.97 1.52 -0.25 -0.59 1.01 -0.19 -0.51 121.20 121.22 2iuu s ILE 495 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 2iuu s ILE 495 Cb -0.09 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 2iuu s ILE 495 CO 0.02 0.13 0.02 -0.04 0.00 0.00 0.00 174.94 175.07 2iuu s MET 496 N 1.44 3.31 -0.29 2.79 -1.94 -1.26 -1.10 119.30 122.25 2iuu s MET 496 Ca -0.01 -0.69 -0.08 0.00 -1.71 0.00 0.00 55.69 53.19 2iuu s MET 496 Cb -0.16 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 2iuu s MET 496 CO -0.08 -0.29 0.11 0.42 -0.01 0.00 0.00 175.02 175.18 2iuu s ILE 497 N 1.50 4.41 -0.64 2.53 1.01 -0.32 0.39 121.20 130.09 2iuu s ILE 497 Ca 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2iuu s ILE 497 Cb -0.16 -3.19 0.16 0.00 0.01 0.00 0.00 42.46 39.29 2iuu s ILE 497 CO -0.00 0.16 0.44 -0.62 0.00 0.00 0.00 174.94 174.93 2iuu s ASP 498 N 1.60 4.35 0.66 3.58 3.68 0.05 -1.43 116.67 129.16 2iuu s ASP 498 Ca 0.05 -3.64 0.23 0.00 2.13 0.00 0.00 52.55 51.32 2iuu s ASP 498 Cb -0.16 -1.48 1.26 0.00 -1.45 0.00 0.00 42.92 41.09 2iuu s ASP 498 CO 0.05 -0.11 1.71 1.55 0.13 0.00 0.00 175.17 178.49 2iuu h PRO 499 N 5.58 0.00 -4.81 4.34 0.13 -1.85 -3.25 132.00 132.13 2iuu h PRO 499 Ca 0.13 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.58 2iuu h PRO 499 Cb 0.79 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.59 2iuu h PRO 499 CO 0.67 0.00 -0.72 0.15 -0.23 0.00 0.00 178.00 177.86 2iuu s LYS 500 N -4.08 2.49 0.00 0.86 1.02 -1.26 -4.96 119.74 113.81 2iuu s LYS 500 Ca -0.03 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.75 2iuu s LYS 500 Cb 0.07 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 2iuu s LYS 500 CO 0.22 -0.56 0.00 -1.33 -0.92 0.00 0.00 175.35 172.75 2iuu n MET 501 N 4.61 0.00 0.00 1.68 2.81 -1.23 -3.97 117.12 121.02 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 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.97 0.00 -0.40 4.03 0.00 -1.26 -4.71 117.00 115.62 2iuu n LEU 502 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.93 2iuu n LEU 502 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2iuu n LEU 502 CO 0.00 0.00 0.50 -0.62 0.00 0.00 0.00 177.39 177.27 2iuu n GLU 503 N 0.00 -0.38 0.01 1.96 -0.58 -1.25 -2.62 120.64 117.77 2iuu n GLU 503 Ca 0.00 1.49 0.13 0.00 -0.42 0.00 0.00 57.16 58.37 2iuu n GLU 503 Cb 0.00 -2.20 0.48 0.00 -0.57 0.00 0.00 31.44 29.15 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 -5.29 0.22 0.05 -4.62 4.77 -1.26 -3.86 117.00 107.01 2iuu n LEU 504 Ca 0.04 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 2iuu n LEU 504 Cb 0.29 -0.40 0.24 0.00 -2.33 0.00 0.00 43.42 41.22 2iuu n LEU 504 CO -0.15 0.02 0.65 -1.20 -1.33 0.00 0.00 177.39 175.38 2iuu n SER 505 N -1.58 0.19 0.10 -1.43 7.64 -1.08 -1.72 113.62 115.74 2iuu n SER 505 Ca 0.06 0.58 0.13 0.00 1.01 0.00 0.00 58.87 60.64 2iuu n SER 505 Cb 0.35 -0.60 0.45 0.00 -1.01 0.00 0.00 64.21 63.39 2iuu n SER 505 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iuu n ILE 506 N -1.74 0.62 0.75 0.44 0.00 -1.25 -3.11 119.36 115.08 2iuu n ILE 506 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 62.75 62.79 2iuu n ILE 506 Cb 0.06 -0.77 0.27 0.00 0.00 0.00 0.00 39.64 39.21 2iuu n ILE 506 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2iuu n TYR 507 N -2.14 0.33 -1.62 9.51 4.02 -0.70 -4.94 117.16 121.62 2iuu n TYR 507 Ca 0.05 -0.17 -0.46 0.00 -0.01 0.00 0.00 57.90 57.31 2iuu n TYR 507 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.64 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 1.01 1.61 0.00 -0.72 4.07 -1.18 -2.68 120.64 122.75 2iuu n GLU 508 Ca 0.18 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 2iuu n GLU 508 Cb 0.50 -2.11 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 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 1.84 3.34 3.77 8.31 0.00 -1.26 -5.04 105.19 116.15 2iuu n GLY 509 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2iuu n GLY 509 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iuu s ILE 510 N -2.41 2.00 0.62 -0.61 -4.36 -1.09 -3.70 121.20 111.65 2iuu s ILE 510 Ca 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 60.65 60.76 2iuu s ILE 510 Cb 0.00 -3.00 0.37 0.00 1.25 0.00 0.00 42.46 41.08 2iuu s ILE 510 CO 0.00 0.00 2.12 1.55 0.24 0.00 0.00 174.94 178.85 2iuu h PRO 511 N 2.68 0.00 0.00 0.37 0.13 -1.78 -2.60 132.00 130.80 2iuu h PRO 511 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2iuu h PRO 511 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2iuu h PRO 511 CO 0.63 0.00 -0.02 0.45 -0.23 0.00 0.00 178.00 178.82 2iuu h HIS 512 N 0.00 0.00 -3.19 1.56 3.86 -1.88 -3.37 115.15 112.12 2iuu h HIS 512 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2iuu h HIS 512 Cb 0.31 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.83 2iuu h HIS 512 CO 0.00 0.02 0.80 -0.51 0.86 0.00 0.00 177.93 179.10 2iuu s LEU 513 N -6.23 4.38 0.31 2.43 1.43 -0.98 -0.09 118.68 119.93 2iuu s LEU 513 Ca 0.03 2.65 0.24 0.00 -1.03 0.00 0.00 54.13 56.02 2iuu s LEU 513 Cb 0.07 -3.61 0.40 0.00 0.03 0.00 0.00 46.19 43.08 2iuu s LEU 513 CO 0.60 -0.75 1.53 -0.07 0.23 0.00 0.00 176.35 177.89 2iuu h LEU 514 N 5.65 0.00 -7.95 1.79 3.38 -1.10 -3.40 115.31 113.69 2iuu h LEU 514 Ca -0.45 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.56 2iuu h LEU 514 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2iuu h LEU 514 CO 0.82 0.01 0.32 0.00 0.09 0.00 0.00 178.44 179.69 2iuu s PRO 516 N -3.06 0.12 -0.00 0.00 0.02 -1.26 -4.83 135.00 125.98 2iuu s PRO 516 Ca 0.14 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 61.79 2iuu s PRO 516 Cb -0.05 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.73 2iuu s PRO 516 CO 0.08 -3.05 1.78 0.08 -0.33 0.00 0.00 177.00 175.56 2iuu s VAL 517 N -2.67 3.28 -0.14 3.83 1.01 -1.26 -4.71 120.40 119.74 2iuu s VAL 517 Ca 0.67 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 2iuu s VAL 517 Cb -0.22 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2iuu s VAL 517 CO 0.61 -0.03 1.47 -0.69 0.00 0.00 0.00 175.10 176.46 2iuu s VAL 518 N 4.04 3.91 -0.15 2.92 1.01 0.16 -4.88 120.40 127.42 2iuu s VAL 518 Ca 0.80 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.91 2iuu s VAL 518 Cb -0.38 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 2iuu s VAL 518 CO 0.35 -0.16 -0.07 0.41 0.00 0.00 0.00 175.10 175.63 2iuu n THR 519 N 5.66 0.93 -2.77 3.92 -1.04 -1.26 -0.77 114.28 118.95 2iuu n THR 519 Ca 0.16 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2iuu n THR 519 Cb 0.44 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.02 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 -5.19 7.08 0.41 8.00 2.15 -1.26 -4.73 116.67 123.13 2iuu s ASP 520 Ca -0.16 1.33 0.13 0.00 0.43 0.00 0.00 52.55 54.28 2iuu s ASP 520 Cb 0.05 -2.51 0.88 0.00 -0.30 0.00 0.00 42.92 41.04 2iuu s ASP 520 CO 0.45 -0.49 1.93 0.24 -0.17 0.00 0.00 175.17 177.13 2iuu h MET 521 N 7.31 0.05 -0.67 4.34 2.86 -1.96 -1.42 114.93 125.43 2iuu h MET 521 Ca -0.27 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 2iuu h MET 521 Cb 1.12 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 2iuu h MET 521 CO 0.88 0.27 0.20 0.87 1.06 0.00 0.00 176.91 180.19 2iuu h LYS 522 N 0.04 1.05 -0.61 1.72 1.79 -1.97 -0.92 116.57 117.67 2iuu h LYS 522 Ca 0.01 -0.23 -0.08 0.00 -2.18 0.00 0.00 60.65 58.16 2iuu h LYS 522 Cb 0.42 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2iuu h LYS 522 CO 0.03 0.91 0.05 0.93 -1.08 0.00 0.00 179.45 180.29 2iuu h GLU 523 N 0.98 1.03 -0.92 3.15 5.08 -1.68 -2.27 114.58 119.95 2iuu h GLU 523 Ca 0.21 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2iuu h GLU 523 Cb 0.31 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2iuu h GLU 523 CO -0.01 0.98 0.60 0.00 -1.00 0.00 0.00 179.01 179.59 2iuu h ALA 524 N 1.09 1.44 -0.91 3.43 0.00 -0.58 0.31 119.26 124.04 2iuu h ALA 524 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2iuu h ALA 524 Cb 0.48 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2iuu h ALA 524 CO 0.02 0.46 0.56 0.00 0.00 0.00 0.00 179.25 180.28 2iuu h ALA 525 N 1.47 1.26 -0.24 0.00 0.00 -0.62 -1.79 119.26 119.35 2iuu h ALA 525 Ca 0.38 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2iuu h ALA 525 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2iuu h ALA 525 CO -0.12 0.64 -0.33 -0.91 0.00 0.00 0.00 179.25 178.53 2iuu h ASN 526 N 1.26 0.52 -0.38 0.00 2.35 -0.69 -1.02 115.58 117.62 2iuu h ASN 526 Ca 0.33 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2iuu h ASN 526 Cb -0.07 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2iuu h ASN 526 CO -0.06 0.82 0.07 0.00 -1.65 0.00 0.00 177.43 176.61 2iuu h ALA 527 N 1.22 1.27 -0.31 -0.83 0.00 -0.34 0.47 119.26 120.74 2iuu h ALA 527 Ca 0.05 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2iuu h ALA 527 Cb 0.78 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2iuu h ALA 527 CO 0.06 0.50 -0.46 -0.07 0.00 0.00 0.00 179.25 179.29 2iuu h LEU 528 N 0.68 0.94 -0.58 0.00 3.38 -0.88 -0.91 115.31 117.95 2iuu h LEU 528 Ca 0.15 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2iuu h LEU 528 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2iuu h LEU 528 CO 0.00 1.26 0.19 0.03 0.09 0.00 0.00 178.44 180.02 2iuu h ARG 529 N 0.64 0.89 -0.86 1.13 3.08 -0.63 -1.35 114.38 117.29 2iuu h ARG 529 Ca 0.03 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 59.93 2iuu h ARG 529 Cb 1.06 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 2iuu h ARG 529 CO 0.11 0.79 0.55 2.35 -1.07 0.00 0.00 179.97 182.70 2iuu h TRP 530 N 0.81 1.03 -0.74 3.04 7.01 0.09 -1.56 115.95 125.63 2iuu h TRP 530 Ca 0.19 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 2iuu h TRP 530 Cb 0.26 -0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 2iuu h TRP 530 CO 0.02 0.59 0.26 0.77 -2.79 0.00 0.00 178.44 177.28 2iuu h SER 531 N 1.06 1.04 -0.50 2.65 0.02 -0.51 0.24 113.55 117.56 2iuu h SER 531 Ca 0.34 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2iuu h SER 531 Cb 0.02 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2iuu h SER 531 CO -0.12 0.94 0.14 0.58 -1.14 0.00 0.00 176.83 177.23 2iuu h VAL 532 N 1.08 1.23 0.10 2.27 2.07 -0.56 -0.34 116.25 122.10 2iuu h VAL 532 Ca 0.24 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2iuu h VAL 532 Cb 0.26 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2iuu h VAL 532 CO -0.01 0.29 -0.05 0.00 0.02 0.00 0.00 177.57 177.82 2iuu h ALA 533 N 1.00 -0.13 -0.43 1.67 0.00 -0.74 0.01 119.26 120.64 2iuu h ALA 533 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2iuu h ALA 533 Cb 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2iuu h ALA 533 CO -0.00 -0.53 0.29 1.49 0.00 0.00 0.00 179.25 180.50 2iuu h GLU 534 N -0.22 0.29 0.03 0.00 4.57 -0.42 0.31 114.58 119.14 2iuu h GLU 534 Ca -0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2iuu h GLU 534 Cb 0.18 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2iuu h GLU 534 CO 0.02 0.19 -0.02 1.98 -1.18 0.00 0.00 179.01 180.01 2iuu h MET 535 N 0.30 -0.04 -0.99 1.92 4.05 -0.48 -1.76 114.93 117.93 2iuu h MET 535 Ca 0.19 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 2iuu h MET 535 Cb 0.38 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.14 2iuu h MET 535 CO -0.04 0.32 0.65 0.93 0.23 0.00 0.00 176.91 179.01 2iuu h GLU 536 N -0.42 1.27 -0.74 0.39 4.39 0.39 -1.35 114.58 118.52 2iuu h GLU 536 Ca -0.00 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2iuu h GLU 536 Cb 0.39 -0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2iuu h GLU 536 CO 0.01 0.84 0.25 -0.09 -1.16 0.00 0.00 179.01 178.85 2iuu h ARG 537 N 1.31 1.15 -0.41 2.33 2.43 -0.36 -1.84 114.38 118.99 2iuu h ARG 537 Ca 0.37 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2iuu h ARG 537 Cb -0.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 2iuu h ARG 537 CO -0.09 0.97 -0.04 0.00 -1.51 0.00 0.00 179.97 179.29 2iuu h ARG 538 N 1.10 0.75 -0.68 0.20 3.08 -0.63 -0.61 114.38 117.58 2iuu h ARG 538 Ca 0.24 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2iuu h ARG 538 Cb 0.29 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2iuu h ARG 538 CO -0.01 0.85 0.45 1.88 -1.07 0.00 0.00 179.97 182.07 2iuu h TYR 539 N 0.57 0.84 -0.23 3.04 -1.99 -1.06 0.11 116.97 118.25 2iuu h TYR 539 Ca 0.11 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.87 2iuu h TYR 539 Cb 0.54 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2iuu h TYR 539 CO 0.04 0.52 0.12 0.00 -0.00 0.00 0.00 178.16 178.84 2iuu h ARG 540 N 0.90 0.24 0.44 4.88 3.08 -1.07 -0.69 114.38 122.17 2iuu h ARG 540 Ca 0.26 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2iuu h ARG 540 Cb -0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2iuu h ARG 540 CO -0.07 0.16 -0.46 1.25 -1.07 0.00 0.00 179.97 179.78 2iuu h LEU 541 N 0.25 -1.25 -1.71 3.04 6.46 -0.46 -2.38 115.31 119.25 2iuu h LEU 541 Ca 0.09 0.10 0.14 0.00 -0.12 0.00 0.00 57.88 58.10 2iuu h LEU 541 Cb 0.02 0.42 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 2iuu h LEU 541 CO -0.06 -0.61 0.45 0.24 -0.62 0.00 0.00 178.44 177.84 2iuu h MET 542 N -0.91 0.29 -0.17 1.25 2.86 -0.61 -0.94 114.93 116.69 2iuu h MET 542 Ca -0.05 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2iuu h MET 542 Cb 0.81 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2iuu h MET 542 CO -0.07 0.19 0.00 0.00 1.06 0.00 0.00 176.91 178.09 2iuu h ALA 543 N 1.68 0.23 -0.00 6.32 0.00 -0.73 -0.51 119.26 126.25 2iuu h ALA 543 Ca 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2iuu h ALA 543 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2iuu h ALA 543 CO -0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 179.25 178.96 2iuu h ALA 544 N 0.78 1.74 0.00 0.00 0.00 -0.72 -2.32 119.26 118.73 2iuu h ALA 544 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2iuu h ALA 544 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2iuu h ALA 544 CO 0.01 0.20 -0.35 -1.33 0.00 0.00 0.00 179.25 177.78 2iuu n MET 545 N -4.35 0.21 -2.23 0.00 2.00 -0.61 -4.94 117.12 107.20 2iuu n MET 545 Ca -0.02 0.10 -0.06 0.00 0.00 0.00 0.00 57.70 57.72 2iuu n MET 545 Cb 0.22 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 31.77 2iuu n MET 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2iuu n GLY 546 N 1.37 0.20 3.57 3.03 0.00 -0.46 -5.04 105.19 107.86 2iuu n GLY 546 Ca 0.05 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.42 3.43 -0.34 1.61 1.01 -0.33 -5.05 120.40 118.31 2iuu s VAL 547 Ca 0.03 -1.08 0.23 0.00 0.00 0.00 0.00 61.98 61.16 2iuu s VAL 547 Cb -0.01 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.89 2iuu s VAL 547 CO 0.03 0.24 1.19 0.03 0.00 0.00 0.00 175.10 176.59 2iuu h ARG 548 N 4.02 0.00 -2.25 2.72 3.08 -1.93 -3.40 114.38 116.62 2iuu h ARG 548 Ca -0.48 0.00 0.20 0.00 0.07 0.00 0.00 59.98 59.76 2iuu h ARG 548 Cb 1.17 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 2iuu h ARG 548 CO 0.53 0.00 0.54 0.54 -1.07 0.00 0.00 179.97 180.51 2iuu s ASN 549 N -5.30 -0.14 0.35 7.04 2.20 -1.26 -4.88 114.94 112.95 2iuu s ASN 549 Ca 0.02 -0.41 0.14 0.00 -0.94 0.00 0.00 52.86 51.67 2iuu s ASN 549 Cb 0.09 0.45 1.01 0.00 -2.00 0.00 0.00 41.25 40.80 2iuu s ASN 549 CO 0.76 -0.84 1.72 0.25 -2.94 0.00 0.00 177.10 176.05 2iuu h LEU 550 N 2.00 0.57 0.71 3.54 5.85 -1.51 0.69 115.31 127.16 2iuu h LEU 550 Ca -0.25 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2iuu h LEU 550 Cb 1.23 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.32 2iuu h LEU 550 CO 0.27 0.03 -0.34 0.00 -0.34 0.00 0.00 178.44 178.06 2iuu h ALA 551 N 1.72 -0.96 -0.64 1.25 0.00 -1.96 0.33 119.26 119.01 2iuu h ALA 551 Ca 0.66 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.39 2iuu h ALA 551 Cb 1.46 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 2iuu h ALA 551 CO -0.46 -1.04 0.42 0.78 0.00 0.00 0.00 179.25 178.96 2iuu h GLY 552 N -0.96 0.88 0.91 0.00 0.00 -1.57 -1.46 103.07 100.87 2iuu h GLY 552 Ca -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2iuu h GLY 552 CO 0.16 0.28 0.01 -2.75 0.00 0.00 0.00 176.54 174.24 2iuu h PHE 553 N 0.80 0.02 0.00 5.60 3.57 -0.63 -2.27 116.94 124.03 2iuu h PHE 553 Ca 0.25 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 2iuu h PHE 553 Cb 0.01 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2iuu h PHE 553 CO -0.00 0.10 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.12 2iuu h ASN 554 N -0.07 0.00 0.56 0.41 -0.26 -0.28 -1.90 115.58 114.04 2iuu h ASN 554 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 2iuu h ASN 554 Cb 0.09 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2iuu h ASN 554 CO -0.00 0.15 -0.27 0.03 -1.06 0.00 0.00 177.43 176.28 2iuu h ARG 555 N 0.00 -0.72 -0.99 0.81 3.08 -1.04 -1.23 114.38 114.28 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 0.34 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 30.39 2iuu h ARG 555 CO 0.02 -0.45 -0.40 1.17 -1.07 0.00 0.00 179.97 179.23 2iuu n LYS 556 N -5.28 -0.25 0.08 0.04 3.00 -0.88 0.04 118.16 114.91 2iuu n LYS 556 Ca -0.10 1.53 -0.01 0.00 -0.00 0.00 0.00 58.31 59.73 2iuu n LYS 556 Cb 0.31 -2.26 0.27 0.00 0.00 0.00 0.00 35.03 33.35 2iuu n LYS 556 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 2iuu h VAL 557 N 0.00 1.26 0.02 3.15 3.04 -1.38 -2.07 116.25 120.27 2iuu h VAL 557 Ca 0.33 -1.21 -0.00 0.00 -1.01 0.00 0.00 66.70 64.81 2iuu h VAL 557 Cb 0.58 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2iuu h VAL 557 CO -0.98 0.37 -0.01 0.50 -1.01 0.00 0.00 177.57 176.44 2iuu h LYS 558 N 0.28 -0.02 -0.45 4.17 3.64 0.81 -2.69 116.57 122.31 2iuu h LYS 558 Ca 0.04 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2iuu h LYS 558 Cb 0.63 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 2iuu h LYS 558 CO 0.05 0.59 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.29 2iuu h ASP 559 N -0.66 -0.37 -0.79 4.20 3.32 -0.36 0.24 116.42 122.00 2iuu h ASP 559 Ca -0.00 0.13 0.15 0.00 0.02 0.00 0.00 57.03 57.33 2iuu h ASP 559 Cb 0.62 0.26 -0.10 0.00 0.22 0.00 0.00 39.33 40.33 2iuu h ASP 559 CO 0.00 -0.13 0.34 0.00 -1.72 0.00 0.00 179.24 177.73 2iuu h ALA 560 N 1.44 1.14 -0.24 3.45 0.00 -1.39 0.12 119.26 123.78 2iuu h ALA 560 Ca 0.22 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 2iuu h ALA 560 Cb 0.34 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2iuu h ALA 560 CO -0.45 -0.20 -0.49 0.93 0.00 0.00 0.00 179.25 179.04 2iuu h GLU 561 N 0.47 0.66 0.00 0.00 5.08 -0.69 -2.10 114.58 118.00 2iuu h GLU 561 Ca 0.44 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2iuu h GLU 561 Cb 0.68 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2iuu h GLU 561 CO -0.41 1.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.53 2iuu h GLU 562 N 0.52 0.00 -0.82 2.33 5.08 0.17 -2.51 114.58 119.35 2iuu h GLU 562 Ca 0.03 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.99 2iuu h GLU 562 Cb 1.04 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.05 2iuu h GLU 562 CO 0.10 0.00 0.44 0.00 -1.00 0.00 0.00 179.01 178.55 2iuu n ALA 563 N -2.02 5.14 0.00 3.43 0.00 0.30 -4.93 120.51 122.43 2iuu n ALA 563 Ca 0.01 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.63 2iuu n ALA 563 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.95 0.00 3.20 0.00 0.00 -0.95 -4.78 105.19 101.72 2iuu n GLY 564 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.08 4.48 -1.76 2.61 -1.04 -0.82 -4.96 114.28 111.72 2iuu n THR 565 Ca 0.00 -5.48 -0.38 0.00 -2.04 0.00 0.00 64.05 56.15 2iuu n THR 565 Cb 0.00 -2.43 0.05 0.00 -1.82 0.00 0.00 70.33 66.13 2iuu n THR 565 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2iuu s PRO 566 N -1.69 3.02 0.62 -2.82 0.04 -1.18 -4.46 135.00 128.53 2iuu s PRO 566 Ca 0.31 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 2iuu s PRO 566 Cb -0.05 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2iuu s PRO 566 CO -0.04 -1.28 1.02 -0.51 0.04 0.00 0.00 177.00 176.23 2iuu s LEU 567 N -3.68 3.22 0.05 -3.56 1.43 -1.26 -4.97 118.68 109.90 2iuu s LEU 567 Ca 0.74 1.36 0.06 0.00 -1.03 0.00 0.00 54.13 55.26 2iuu s LEU 567 Cb -0.40 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.41 2iuu s LEU 567 CO 0.47 -0.90 -0.18 0.28 0.23 0.00 0.00 176.35 176.25 2iuu s THR 568 N -3.17 1.43 -0.41 5.49 -1.32 -1.26 -1.55 115.64 114.84 2iuu s THR 568 Ca 0.55 -1.16 -0.36 0.00 -1.21 0.00 0.00 61.69 59.51 2iuu s THR 568 Cb -0.11 -1.27 -0.13 0.00 -1.51 0.00 0.00 72.50 69.48 2iuu s THR 568 CO 0.53 0.08 2.22 -0.67 -2.21 0.00 0.00 174.62 174.57 2iuu n ASP 569 N 1.76 1.84 0.21 8.08 -0.08 -0.41 -4.78 116.55 123.17 2iuu n ASP 569 Ca -0.18 0.39 0.15 0.00 -1.51 0.00 0.00 54.79 53.64 2iuu n ASP 569 Cb 0.54 -1.21 0.60 0.00 2.34 0.00 0.00 41.12 43.39 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 12.26 0.00 -0.62 -0.67 0.13 -1.95 -2.69 132.00 138.46 2iuu h PRO 570 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 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 1.06 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.11 2iuu n LEU 571 N -2.71 3.49 -4.73 1.56 4.77 -1.26 -4.92 117.00 113.20 2iuu n LEU 571 Ca 0.01 -1.76 -0.41 0.00 -0.03 0.00 0.00 56.01 53.82 2iuu n LEU 571 Cb 0.28 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2iuu n LEU 571 CO 0.24 0.57 0.58 0.12 -1.33 0.00 0.00 177.39 177.57 2iuu s PHE 572 N -1.81 3.71 -0.25 -1.77 2.19 -1.02 -5.04 117.98 114.00 2iuu s PHE 572 Ca 0.35 1.60 -0.01 0.00 0.33 0.00 0.00 56.93 59.20 2iuu s PHE 572 Cb 0.23 -2.97 0.03 0.00 -1.31 0.00 0.00 43.02 39.00 2iuu s PHE 572 CO 0.16 0.14 -0.07 -0.98 1.83 0.00 0.00 175.22 176.30 2iuu s ARG 573 N 0.41 2.79 0.26 10.12 1.70 -1.26 -5.07 118.95 127.90 2iuu s ARG 573 Ca 0.45 -1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 2iuu s ARG 573 Cb -0.21 -2.97 -0.10 0.00 -0.57 0.00 0.00 34.95 31.10 2iuu s ARG 573 CO 0.26 -0.41 1.48 1.03 -1.08 0.00 0.00 175.30 176.58 2iuu s ARG 574 N 1.31 4.23 0.00 3.89 0.52 -1.26 -4.88 118.95 122.75 2iuu s ARG 574 Ca -0.00 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 2iuu s ARG 574 Cb -0.17 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.22 2iuu s ARG 574 CO -0.05 -0.48 0.00 0.39 0.02 0.00 0.00 175.30 175.18 2iuu n GLU 575 N 2.30 5.99 -3.79 3.54 1.02 -1.26 -5.04 120.64 123.40 2iuu n GLU 575 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 2iuu n GLU 575 Cb 0.39 -0.55 -0.08 0.00 -0.02 0.00 0.00 31.44 31.19 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 -1.09 -0.07 0.62 1.62 0.15 -1.26 -5.02 113.70 108.65 2iuu s SER 576 Ca 0.00 -0.23 0.40 0.00 0.70 0.00 0.00 55.95 56.83 2iuu s SER 576 Cb 0.00 0.32 2.04 0.00 -1.71 0.00 0.00 66.02 66.67 2iuu s SER 576 CO 0.00 -0.57 2.22 -0.65 1.20 0.00 0.00 173.24 175.45 2iuu h PRO 577 N 3.41 0.00 0.07 5.44 0.11 -2.04 -2.79 132.00 136.20 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 0.46 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.78 2iuu h ASP 578 N 0.00 -0.08 -0.63 -2.05 3.45 -2.02 -3.46 116.42 111.63 2iuu h ASP 578 Ca 0.00 -0.55 -0.50 0.00 0.43 0.00 0.00 57.03 56.41 2iuu h ASP 578 Cb 0.18 0.02 0.03 0.00 -0.56 0.00 0.00 39.33 39.00 2iuu h ASP 578 CO 0.00 0.61 0.09 0.47 -1.57 0.00 0.00 179.24 178.83 2iuu n ASP 579 N -4.80 0.09 -4.20 6.45 10.43 -1.06 -4.94 116.55 118.53 2iuu n ASP 579 Ca -0.08 0.73 -0.29 0.00 2.57 0.00 0.00 54.79 57.72 2iuu n ASP 579 Cb 0.30 -0.57 -0.16 0.00 1.84 0.00 0.00 41.12 42.53 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 0.24 2.22 -0.10 -1.24 2.02 -1.26 -4.92 118.70 115.66 2iuu s GLU 580 Ca 0.58 -0.76 -0.34 0.00 0.02 0.00 0.00 54.97 54.47 2iuu s GLU 580 Cb -0.81 -1.88 -0.12 0.00 0.10 0.00 0.00 34.13 31.42 2iuu s GLU 580 CO 0.38 0.30 1.90 -2.30 0.02 0.00 0.00 175.26 175.55 2iuu n PRO 581 N 3.08 2.17 -1.86 0.39 -0.02 -1.26 -4.93 135.00 132.57 2iuu n PRO 581 Ca -0.18 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 2iuu n PRO 581 Cb 0.52 -2.66 0.05 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.17 2.78 0.29 0.52 0.04 -1.26 -4.77 135.00 136.78 2iuu s PRO 582 Ca 0.93 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 2iuu s PRO 582 Cb -0.69 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 2iuu s PRO 582 CO 0.51 -1.34 0.93 -1.14 0.04 0.00 0.00 177.00 176.01 2iuu s GLN 583 N -3.55 4.64 0.32 4.56 0.74 -1.26 -1.29 119.66 123.82 2iuu s GLN 583 Ca 0.75 1.35 -0.27 0.00 0.05 0.00 0.00 55.36 57.24 2iuu s GLN 583 Cb -0.29 -2.94 -0.09 0.00 1.10 0.00 0.00 33.01 30.79 2iuu s GLN 583 CO 0.37 0.35 0.99 -0.51 -0.55 0.00 0.00 175.29 175.94 2iuu s LEU 584 N -1.80 4.39 0.18 3.68 1.43 -0.60 -4.75 118.68 121.20 2iuu s LEU 584 Ca 0.47 1.97 0.06 0.00 -1.03 0.00 0.00 54.13 55.61 2iuu s LEU 584 Cb -0.21 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 2iuu s LEU 584 CO 0.26 -0.13 -0.13 -0.94 0.23 0.00 0.00 176.35 175.64 2iuu s SER 585 N -1.41 2.21 0.43 2.29 1.04 -1.26 -4.76 113.70 112.23 2iuu s SER 585 Ca 0.49 -1.01 -0.26 0.00 0.48 0.00 0.00 55.95 55.65 2iuu s SER 585 Cb -0.23 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.73 2iuu s SER 585 CO 0.29 -0.24 1.41 0.42 0.98 0.00 0.00 173.24 176.10 2iuu s THR 586 N -3.10 2.18 -0.04 2.02 -4.23 -1.26 -5.00 115.64 106.21 2iuu s THR 586 Ca 0.19 0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 2iuu s THR 586 Cb 0.01 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 2iuu s THR 586 CO 0.04 0.03 0.27 -0.76 -0.54 0.00 0.00 174.62 173.65 2iuu s LEU 587 N -2.53 4.40 0.54 4.79 1.43 -1.26 -5.02 118.68 121.04 2iuu s LEU 587 Ca 0.58 0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 54.22 2iuu s LEU 587 Cb -0.43 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2iuu s LEU 587 CO 0.56 0.32 0.93 -2.16 0.23 0.00 0.00 176.35 176.24 2iuu s PRO 588 N -1.33 3.66 -0.01 1.29 0.04 -1.26 -4.90 135.00 132.49 2iuu s PRO 588 Ca 0.22 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2iuu s PRO 588 Cb -0.14 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2iuu s PRO 588 CO 0.11 -0.37 1.04 0.99 0.04 0.00 0.00 177.00 178.81 2iuu s THR 589 N -2.89 4.66 -0.14 1.26 2.01 0.19 -4.81 115.64 115.91 2iuu s THR 589 Ca 0.53 1.91 -0.11 0.00 0.31 0.00 0.00 61.69 64.34 2iuu s THR 589 Cb -0.11 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 2iuu s THR 589 CO 0.46 0.11 0.21 -0.63 -0.69 0.00 0.00 174.62 174.08 2iuu s ILE 590 N 1.29 5.36 -0.10 1.82 -1.09 0.87 -0.16 121.20 129.18 2iuu s ILE 590 Ca 0.53 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 59.35 2iuu s ILE 590 Cb -0.22 -3.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 2iuu s ILE 590 CO 0.26 0.49 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.60 2iuu s VAL 591 N -0.19 1.61 -0.27 2.92 1.01 0.13 -0.19 120.40 125.43 2iuu s VAL 591 Ca 0.14 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2iuu s VAL 591 Cb -0.13 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2iuu s VAL 591 CO 0.03 0.46 0.02 -0.69 0.00 0.00 0.00 175.10 174.93 2iuu s VAL 592 N 0.76 3.60 -0.17 2.92 1.01 0.56 -1.03 120.40 128.05 2iuu s VAL 592 Ca -0.11 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2iuu s VAL 592 Cb -0.16 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2iuu s VAL 592 CO 0.02 0.19 -0.12 0.68 0.00 0.00 0.00 175.10 175.87 2iuu s VAL 593 N 1.46 2.90 -0.35 2.92 -7.23 -0.26 -0.63 120.40 119.21 2iuu s VAL 593 Ca 0.03 -0.68 -0.06 0.00 -1.81 0.00 0.00 61.98 59.45 2iuu s VAL 593 Cb -0.16 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.57 2iuu s VAL 593 CO -0.00 0.49 0.13 -0.69 -0.31 0.00 0.00 175.10 174.72 2iuu s VAL 594 N 0.95 3.79 0.16 1.32 1.01 0.23 -1.17 120.40 126.69 2iuu s VAL 594 Ca -0.02 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 2iuu s VAL 594 Cb -0.15 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.11 2iuu s VAL 594 CO -0.01 -0.26 1.67 -0.78 0.00 0.00 0.00 175.10 175.72 2iuu h ASP 595 N 8.23 -0.36 -2.41 3.32 -0.00 -1.51 -1.41 116.42 122.27 2iuu h ASP 595 Ca -0.22 0.11 -0.59 0.00 -0.00 0.00 0.00 57.03 56.33 2iuu h ASP 595 Cb 1.08 0.24 -0.39 0.00 -0.00 0.00 0.00 39.33 40.26 2iuu h ASP 595 CO 0.63 -0.13 -0.92 1.21 -0.00 0.00 0.00 179.24 180.03 2iuu n GLU 596 N -5.30 0.62 0.10 0.28 4.07 -1.22 -4.01 120.64 115.18 2iuu n GLU 596 Ca 0.02 -3.45 0.07 0.00 -0.06 0.00 0.00 57.16 53.74 2iuu n GLU 596 Cb 0.21 -1.72 0.37 0.00 -0.06 0.00 0.00 31.44 30.24 2iuu n GLU 596 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2iuu n PHE 597 N 2.40 0.45 0.05 4.31 1.16 -0.23 -0.82 117.46 124.79 2iuu n PHE 597 Ca 0.27 0.23 -0.10 0.00 -1.87 0.00 0.00 57.45 55.98 2iuu n PHE 597 Cb 0.46 -0.87 0.02 0.00 -1.61 0.00 0.00 39.48 37.49 2iuu n PHE 597 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2iuu h ALA 598 N 2.05 0.58 -0.57 1.98 0.00 -1.94 -1.66 119.26 119.70 2iuu h ALA 598 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 2iuu h ALA 598 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2iuu h ALA 598 CO 0.00 0.76 -0.06 -0.44 0.00 0.00 0.00 179.25 179.50 2iuu h ASP 599 N 0.29 1.03 -0.43 0.00 3.32 -1.37 -0.57 116.42 118.70 2iuu h ASP 599 Ca -0.03 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 2iuu h ASP 599 Cb 1.31 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2iuu h ASP 599 CO 0.13 1.12 0.12 -0.03 -1.72 0.00 0.00 179.24 178.85 2iuu h MET 600 N 0.94 0.67 -0.49 3.56 4.05 -1.45 -0.37 114.93 121.83 2iuu h MET 600 Ca 0.15 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2iuu h MET 600 Cb 0.63 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2iuu h MET 600 CO 0.04 0.67 0.31 0.52 0.23 0.00 0.00 176.91 178.67 2iuu h MET 601 N 0.55 0.66 -0.32 0.39 2.86 -1.15 0.10 114.93 118.01 2iuu h MET 601 Ca 0.14 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2iuu h MET 601 Cb 0.28 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2iuu h MET 601 CO -0.00 0.46 0.17 1.98 1.06 0.00 0.00 176.91 180.58 2iuu h MET 602 N 0.66 0.44 -0.11 1.72 -1.53 -0.84 0.54 114.93 115.81 2iuu h MET 602 Ca 0.18 -0.05 -0.17 0.00 -3.44 0.00 0.00 59.70 56.21 2iuu h MET 602 Cb -0.04 -0.09 0.01 0.00 -0.55 0.00 0.00 31.60 30.93 2iuu h MET 602 CO -0.04 0.38 -0.59 0.82 0.14 0.00 0.00 176.91 177.62 2iuu h ILE 603 N 0.39 1.34 0.04 1.77 2.04 -0.87 -3.39 117.51 118.84 2iuu h ILE 603 Ca 0.11 -1.88 -0.25 0.00 1.00 0.00 0.00 64.86 63.84 2iuu h ILE 603 Cb 0.06 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2iuu h ILE 603 CO -0.02 0.57 -1.35 0.58 0.00 0.00 0.00 178.15 177.93 2iuu h VAL 604 N 0.23 0.92 0.00 1.67 2.07 -1.00 -3.50 116.25 116.64 2iuu h VAL 604 Ca -0.04 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2iuu h VAL 604 Cb 1.24 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2iuu h VAL 604 CO 0.12 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.81 2iuu n GLY 605 N 1.59 0.29 0.47 2.17 0.00 0.18 -4.78 105.19 105.10 2iuu n GLY 605 Ca -0.30 -2.27 0.28 0.00 0.00 0.00 0.00 46.02 43.73 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 8.70 0.11 0.00 1.61 2.10 -1.97 -2.05 116.57 125.07 2iuu h LYS 606 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2iuu h LYS 606 Cb 0.00 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2iuu h LYS 606 CO 0.00 0.07 -0.05 0.87 -2.00 0.00 0.00 179.45 178.34 2iuu h LYS 607 N 0.11 0.00 0.29 0.07 1.57 -1.96 -2.35 116.57 114.31 2iuu h LYS 607 Ca 0.49 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 2iuu h LYS 607 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2iuu h LYS 607 CO -0.07 0.05 -0.14 0.28 -0.57 0.00 0.00 179.45 179.00 2iuu h VAL 608 N 0.00 0.74 -0.58 0.50 2.07 -1.72 -0.76 116.25 116.50 2iuu h VAL 608 Ca -0.00 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2iuu h VAL 608 Cb 0.11 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2iuu h VAL 608 CO 0.01 0.07 0.22 -0.08 0.02 0.00 0.00 177.57 177.80 2iuu h GLU 609 N -0.55 0.40 -0.64 1.57 4.81 -1.64 0.07 114.58 118.59 2iuu h GLU 609 Ca -0.04 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2iuu h GLU 609 Cb 0.41 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2iuu h GLU 609 CO 0.07 0.26 0.38 0.93 -0.73 0.00 0.00 179.01 179.92 2iuu h GLU 610 N 0.41 0.87 0.02 1.92 5.08 -1.23 -0.81 114.58 120.83 2iuu h GLU 610 Ca 0.29 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2iuu h GLU 610 Cb 0.33 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2iuu h GLU 610 CO -0.28 0.62 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.27 2iuu h LEU 611 N 0.86 -0.02 -0.45 1.33 3.38 -0.56 -0.87 115.31 118.98 2iuu h LEU 611 Ca 0.23 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2iuu h LEU 611 Cb -0.02 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 2iuu h LEU 611 CO -0.04 0.18 -0.23 0.40 0.09 0.00 0.00 178.44 178.84 2iuu h ILE 612 N -0.23 0.35 -0.75 1.22 1.08 -0.67 0.55 117.51 119.06 2iuu h ILE 612 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 2iuu h ILE 612 Cb 0.21 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 2iuu h ILE 612 CO 0.00 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.90 2iuu h ALA 613 N 1.13 1.02 -0.41 1.87 0.00 -0.98 0.11 119.26 122.01 2iuu h ALA 613 Ca 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2iuu h ALA 613 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2iuu h ALA 613 CO -0.54 0.12 0.12 -0.09 0.00 0.00 0.00 179.25 178.86 2iuu h ARG 614 N 0.78 0.64 0.80 0.00 2.43 0.10 -1.48 114.38 117.65 2iuu h ARG 614 Ca 0.34 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2iuu h ARG 614 Cb 0.21 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2iuu h ARG 614 CO -0.19 0.65 -0.38 0.82 -1.51 0.00 0.00 179.97 179.35 2iuu h ILE 615 N 0.52 0.10 -0.01 1.20 1.08 -0.42 -3.18 117.51 116.80 2iuu h ILE 615 Ca 0.13 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2iuu h ILE 615 Cb 0.28 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2iuu h ILE 615 CO -0.00 0.01 0.04 0.00 -0.69 0.00 0.00 178.15 177.51 2iuu h ALA 616 N -1.12 1.21 0.00 1.87 0.00 -0.79 0.23 119.26 120.67 2iuu h ALA 616 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2iuu h ALA 616 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2iuu h ALA 616 CO 0.18 -0.05 -0.34 0.37 0.00 0.00 0.00 179.25 179.41 2iuu h GLN 617 N 0.00 0.00 0.00 0.00 -0.00 -1.25 -3.41 115.11 110.45 2iuu h GLN 617 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2iuu h GLN 617 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.57 2iuu h GLN 617 CO -0.00 0.00 -0.05 1.17 0.00 0.00 0.00 178.83 179.95 2iuu n LYS 618 N -2.85 3.55 0.28 1.69 4.81 -0.94 -4.93 118.16 119.77 2iuu n LYS 618 Ca 0.03 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.59 2iuu n LYS 618 Cb 0.52 -0.34 0.77 0.00 0.02 0.00 0.00 35.03 36.00 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 1.66 -0.26 3.14 0.00 -0.79 -3.38 119.26 119.63 2iuu h ALA 619 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2iuu h ALA 619 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2iuu h ALA 619 CO 0.00 0.04 0.00 -2.13 0.00 0.00 0.00 179.25 177.16 2iuu n ARG 620 N -4.09 0.00 -0.19 0.00 0.63 -1.26 -1.74 116.66 110.02 2iuu n ARG 620 Ca -0.03 0.88 0.29 0.00 -0.92 0.00 0.00 57.85 58.07 2iuu n ARG 620 Cb 0.12 -1.46 0.73 0.00 0.45 0.00 0.00 32.46 32.30 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 -1.22 2.87 -0.00 5.13 0.00 -1.90 0.23 119.26 124.36 2iuu h ALA 621 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2iuu h ALA 621 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2iuu h ALA 621 CO 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 179.25 178.12 2iuu n ALA 622 N -2.72 2.53 -1.06 0.00 0.00 -0.71 -1.39 120.51 117.16 2iuu n ALA 622 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2iuu n ALA 622 Cb 0.98 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.24 0.39 3.45 0.00 0.00 0.82 -4.72 105.19 106.37 2iuu n GLY 623 Ca 0.16 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 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 3.82 0.02 -0.61 1.09 -1.13 -0.09 121.20 122.30 2iuu s ILE 624 Ca 0.00 -0.37 0.05 0.00 -1.10 0.00 0.00 60.65 59.23 2iuu s ILE 624 Cb 0.00 -2.70 -0.02 0.00 -1.06 0.00 0.00 42.46 38.68 2iuu s ILE 624 CO 0.00 0.46 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.15 2iuu s HIS 625 N 0.73 1.33 -0.17 3.97 3.76 0.74 -3.99 115.29 121.66 2iuu s HIS 625 Ca -0.01 -0.32 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 2iuu s HIS 625 Cb -0.14 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 2iuu s HIS 625 CO 0.02 0.02 0.10 -0.51 -0.85 0.00 0.00 174.74 173.53 2iuu s LEU 626 N -0.86 4.09 -0.26 0.89 1.02 -1.26 -0.32 118.68 121.97 2iuu s LEU 626 Ca 0.04 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.44 2iuu s LEU 626 Cb -0.07 -2.03 0.07 0.00 0.02 0.00 0.00 46.19 44.18 2iuu s LEU 626 CO 0.01 0.25 -0.04 -0.63 0.02 0.00 0.00 176.35 175.95 2iuu s ILE 627 N -0.05 1.72 -0.19 -0.59 -1.09 0.20 0.19 121.20 121.40 2iuu s ILE 627 Ca 0.08 -1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.03 2iuu s ILE 627 Cb -0.12 -2.01 0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2iuu s ILE 627 CO 0.00 -0.19 -0.14 -0.76 -1.23 0.00 0.00 174.94 172.63 2iuu s LEU 628 N 1.28 2.44 0.20 2.97 1.43 0.47 -0.60 118.68 126.88 2iuu s LEU 628 Ca -0.03 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2iuu s LEU 628 Cb -0.19 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2iuu s LEU 628 CO -0.07 0.01 -0.22 0.00 0.23 0.00 0.00 176.35 176.30 2iuu s ALA 629 N 1.25 2.47 0.07 4.21 0.00 -0.53 0.18 121.76 129.41 2iuu s ALA 629 Ca 0.03 -1.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 2iuu s ALA 629 Cb -0.14 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.77 2iuu s ALA 629 CO -0.07 0.36 0.65 -0.08 0.00 0.00 0.00 175.76 176.62 2iuu s THR 630 N -1.90 0.00 -1.74 0.00 -1.32 -0.16 -1.06 115.64 109.45 2iuu s THR 630 Ca 0.21 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.85 2iuu s THR 630 Cb -0.07 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.00 2iuu s THR 630 CO 0.10 0.00 0.93 0.00 -2.21 0.00 0.00 174.62 173.44 2iuu n GLN 631 N 0.09 1.40 -3.01 7.08 6.02 -1.26 -1.98 117.38 125.73 2iuu n GLN 631 Ca -0.17 -1.19 -0.31 0.00 -0.01 0.00 0.00 57.00 55.32 2iuu n GLN 631 Cb 0.62 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 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 0.50 3.63 -1.84 -1.09 1.74 -1.26 -4.29 116.66 114.05 2iuu n ARG 632 Ca 0.08 -4.75 -0.25 0.00 -0.77 0.00 0.00 57.85 52.15 2iuu n ARG 632 Cb 0.36 -2.32 -0.08 0.00 -1.02 0.00 0.00 32.46 29.41 2iuu n ARG 632 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2iuu n PRO 633 N 0.21 1.12 -4.51 5.56 -0.02 -1.26 -4.67 135.00 131.44 2iuu n PRO 633 Ca 0.33 -2.18 -0.27 0.00 -2.02 0.00 0.00 63.50 59.36 2iuu n PRO 633 Cb 0.36 -3.72 -0.10 0.00 -0.02 0.00 0.00 33.50 30.02 2iuu n PRO 633 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2iuu s SER 634 N 7.01 3.95 0.51 2.55 1.04 -1.26 -4.62 113.70 122.88 2iuu s SER 634 Ca 0.72 -1.25 0.18 0.00 0.48 0.00 0.00 55.95 56.08 2iuu s SER 634 Cb -0.01 -0.41 1.30 0.00 0.10 0.00 0.00 66.02 67.00 2iuu s SER 634 CO 0.16 -0.39 2.12 0.58 0.98 0.00 0.00 173.24 176.69 2iuu h VAL 635 N 1.78 0.94 0.00 5.02 2.07 -1.90 -0.59 116.25 123.57 2iuu h VAL 635 Ca -0.43 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 2iuu h VAL 635 Cb 1.24 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2iuu h VAL 635 CO 0.76 0.06 -0.52 0.44 0.02 0.00 0.00 177.57 178.32 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 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2iuu h ASP 636 CO 0.01 0.52 -0.67 0.52 -1.57 0.00 0.00 179.24 178.05 2iuu n VAL 637 N -3.55 1.26 -2.42 -1.35 0.31 -0.64 -4.59 118.33 107.35 2iuu n VAL 637 Ca -0.00 0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 64.12 2iuu n VAL 637 Cb 0.61 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 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 -4.23 4.00 -1.83 2.52 5.41 -0.32 -4.91 119.36 120.00 2iuu n ILE 638 Ca -0.09 -4.07 -0.29 0.00 1.00 0.00 0.00 62.75 59.29 2iuu n ILE 638 Cb 0.35 -2.44 0.14 0.00 -0.71 0.00 0.00 39.64 36.98 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 2.47 1.98 0.16 1.39 -4.23 -1.25 -4.71 115.64 111.45 2iuu s THR 639 Ca 0.46 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.82 2iuu s THR 639 Cb 0.06 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.99 2iuu s THR 639 CO 0.00 0.00 1.82 1.23 -0.54 0.00 0.00 174.62 177.14 2iuu h GLY 640 N -1.43 0.65 0.67 3.99 0.00 -1.93 0.17 103.07 105.19 2iuu h GLY 640 Ca -0.46 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 46.66 2iuu h GLY 640 CO 0.52 0.22 -0.11 1.41 0.00 0.00 0.00 176.54 178.59 2iuu h LEU 641 N 0.61 -0.33 -0.06 3.11 3.38 -1.96 0.55 115.31 120.61 2iuu h LEU 641 Ca 0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2iuu h LEU 641 Cb -0.06 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2iuu h LEU 641 CO -0.05 -0.16 0.04 0.40 0.09 0.00 0.00 178.44 178.77 2iuu h ILE 642 N -0.17 1.03 -0.29 1.22 1.08 -1.77 -3.03 117.51 115.57 2iuu h ILE 642 Ca 0.05 -0.06 -0.07 0.00 -0.39 0.00 0.00 64.86 64.39 2iuu h ILE 642 Cb 0.25 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 2iuu h ILE 642 CO -0.14 0.02 -0.13 0.11 -0.69 0.00 0.00 178.15 177.33 2iuu h LYS 643 N 0.07 0.49 -0.34 2.37 1.57 -0.45 -3.36 116.57 116.92 2iuu h LYS 643 Ca 0.02 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2iuu h LYS 643 Cb 0.01 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 2iuu h LYS 643 CO -0.00 0.62 -0.18 0.00 -0.57 0.00 0.00 179.45 179.32 2iuu n ALA 644 N -2.48 -0.16 -1.74 3.86 0.00 0.19 -1.77 120.51 118.42 2iuu n ALA 644 Ca 0.01 0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.81 2iuu n ALA 644 Cb 0.32 -0.08 0.17 0.00 0.00 0.00 0.00 19.45 19.86 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 -4.45 1.60 -3.71 0.00 4.13 -1.26 -4.81 115.26 106.77 2iuu n ASN 645 Ca 0.02 -3.52 -0.28 0.00 1.68 0.00 0.00 54.58 52.48 2iuu n ASN 645 Cb 0.10 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 37.76 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 -0.84 1.57 0.24 2.41 5.41 -0.73 -4.75 119.36 122.67 2iuu n ILE 646 Ca 0.16 -4.84 0.11 0.00 1.00 0.00 0.00 62.75 59.19 2iuu n ILE 646 Cb 0.77 -2.12 0.57 0.00 -0.71 0.00 0.00 39.64 38.15 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 5.01 0.00 -5.89 0.38 0.13 -1.82 -3.44 132.00 126.37 2iuu h PRO 647 Ca 0.17 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.73 2iuu h PRO 647 Cb 0.74 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.80 2iuu h PRO 647 CO 0.72 0.18 0.10 0.99 -0.23 0.00 0.00 178.00 179.77 2iuu s THR 648 N -3.83 5.04 0.01 1.56 2.01 -1.26 -4.25 115.64 114.92 2iuu s THR 648 Ca -0.01 1.34 0.05 0.00 0.31 0.00 0.00 61.69 63.38 2iuu s THR 648 Cb 0.11 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2iuu s THR 648 CO 0.61 0.20 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.47 2iuu s ARG 649 N 1.22 1.10 -0.08 4.92 1.81 -0.55 -2.54 118.95 124.83 2iuu s ARG 649 Ca 0.34 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.79 2iuu s ARG 649 Cb -0.17 -1.08 0.00 0.00 -0.45 0.00 0.00 34.95 33.26 2iuu s ARG 649 CO 0.14 0.29 -0.18 0.42 -0.68 0.00 0.00 175.30 175.29 2iuu s ILE 650 N -0.50 1.58 -0.14 1.52 1.09 -0.24 0.43 121.20 124.94 2iuu s ILE 650 Ca 0.04 -0.75 -0.00 0.00 -1.10 0.00 0.00 60.65 58.84 2iuu s ILE 650 Cb -0.06 -1.39 0.03 0.00 -1.06 0.00 0.00 42.46 39.98 2iuu s ILE 650 CO 0.00 0.45 -0.07 0.00 -0.10 0.00 0.00 174.94 175.22 2iuu s ALA 651 N 0.42 1.49 0.69 9.38 0.00 0.07 -2.19 121.76 131.63 2iuu s ALA 651 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2iuu s ALA 651 Cb -0.16 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2iuu s ALA 651 CO 0.06 -0.59 0.00 1.19 0.00 0.00 0.00 175.76 176.41 2iuu n PHE 652 N 4.88 -2.95 -2.01 0.00 3.72 0.40 -0.72 117.46 120.78 2iuu n PHE 652 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 2iuu n PHE 652 Cb 0.49 0.00 -0.02 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 -1.97 4.26 0.27 -1.08 0.74 -1.25 -4.72 119.66 115.91 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 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 2iuu s GLN 653 CO 0.00 -0.46 -0.18 0.14 -0.55 0.00 0.00 175.29 174.24 2iuu s VAL 654 N 0.29 2.33 0.45 1.34 -7.23 -1.04 -1.84 120.40 114.70 2iuu s VAL 654 Ca 0.62 -2.36 0.13 0.00 -1.81 0.00 0.00 61.98 58.56 2iuu s VAL 654 Cb -0.42 -2.28 0.21 0.00 0.56 0.00 0.00 36.38 34.45 2iuu s VAL 654 CO 0.40 -0.42 2.03 0.28 -0.31 0.00 0.00 175.10 177.08 2iuu h SER 655 N 2.30 0.07 -5.10 4.85 0.02 -1.93 -3.38 113.55 110.39 2iuu h SER 655 Ca -0.40 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2iuu h SER 655 Cb 1.25 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 2iuu h SER 655 CO 0.61 0.18 0.07 -0.94 -1.14 0.00 0.00 176.83 175.61 2iuu s SER 656 N -6.98 -0.20 0.31 3.07 1.04 -1.26 -5.00 113.70 104.67 2iuu s SER 656 Ca -0.05 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.71 2iuu s SER 656 Cb 0.16 0.65 0.57 0.00 0.10 0.00 0.00 66.02 67.51 2iuu s SER 656 CO 0.70 -1.22 1.90 0.11 0.98 0.00 0.00 173.24 175.71 2iuu h LYS 657 N 2.12 0.95 0.18 4.02 1.57 -1.96 0.47 116.57 123.92 2iuu h LYS 657 Ca -0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2iuu h LYS 657 Cb 1.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2iuu h LYS 657 CO 0.30 0.63 -0.17 0.82 -0.57 0.00 0.00 179.45 180.46 2iuu h ILE 658 N 0.98 0.62 -0.61 1.86 5.03 -1.96 0.66 117.51 124.09 2iuu h ILE 658 Ca 0.41 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 65.20 2iuu h ILE 658 Cb 0.29 0.62 -0.05 0.00 -3.03 0.00 0.00 36.82 34.65 2iuu h ILE 658 CO -0.17 0.00 0.33 0.44 -0.68 0.00 0.00 178.15 178.07 2iuu h ASP 659 N -0.38 0.48 -0.52 1.72 3.45 -1.54 -1.43 116.42 118.21 2iuu h ASP 659 Ca 0.00 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.55 2iuu h ASP 659 Cb 0.36 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 39.01 2iuu h ASP 659 CO -0.04 0.32 0.24 -1.28 -1.57 0.00 0.00 179.24 176.90 2iuu h SER 660 N 0.62 0.31 -0.32 6.45 0.87 -0.43 -1.51 113.55 119.54 2iuu h SER 660 Ca 0.27 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2iuu h SER 660 Cb 0.17 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2iuu h SER 660 CO -0.17 0.21 0.09 0.03 -0.53 0.00 0.00 176.83 176.46 2iuu h ARG 661 N 0.46 0.58 -0.79 2.24 3.08 -0.13 0.44 114.38 120.26 2iuu h ARG 661 Ca 0.24 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.23 2iuu h ARG 661 Cb 0.19 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2iuu h ARG 661 CO -0.19 0.54 0.52 1.15 -1.07 0.00 0.00 179.97 180.91 2iuu h THR 662 N 0.57 1.11 0.03 2.04 2.02 -0.24 0.57 112.91 119.00 2iuu h THR 662 Ca 0.13 -0.32 -0.38 0.00 0.77 0.00 0.00 66.41 66.60 2iuu h THR 662 Cb 0.22 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.65 2iuu h THR 662 CO -0.00 0.17 -2.36 0.00 0.37 0.00 0.00 175.52 173.70 2iuu n ILE 663 N -4.46 1.55 0.83 3.11 0.00 -0.96 -4.60 119.36 114.84 2iuu n ILE 663 Ca 0.10 -0.60 0.09 0.00 0.00 0.00 0.00 62.75 62.34 2iuu n ILE 663 Cb 0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 39.64 38.30 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 -3.29 1.62 -3.71 9.51 4.77 0.15 -4.88 117.00 121.17 2iuu n LEU 664 Ca -0.42 -0.72 -0.27 0.00 -0.03 0.00 0.00 56.01 54.58 2iuu n LEU 664 Cb 1.01 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.15 2iuu n LEU 664 CO 0.31 0.32 0.18 0.47 -1.33 0.00 0.00 177.39 177.33 2iuu n ASP 665 N -0.32 -5.74 -3.64 -1.43 10.43 0.20 -4.91 116.55 111.14 2iuu n ASP 665 Ca 0.07 -0.63 -0.03 0.00 2.57 0.00 0.00 54.79 56.77 2iuu n ASP 665 Cb 0.37 -4.54 -0.05 0.00 1.84 0.00 0.00 41.12 38.74 2iuu n ASP 665 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 2iuu s GLN 666 N -6.43 0.09 0.74 -1.24 0.74 -1.25 -4.97 119.66 107.34 2iuu s GLN 666 Ca 0.61 0.05 -0.12 0.00 0.05 0.00 0.00 55.36 55.96 2iuu s GLN 666 Cb -0.29 0.04 0.03 0.00 1.10 0.00 0.00 33.01 33.90 2iuu s GLN 666 CO 0.76 -0.02 1.11 0.20 -0.55 0.00 0.00 175.29 176.79 2iuu s GLY 667 N -0.61 1.62 0.00 2.59 0.00 -1.26 -2.98 107.32 106.68 2iuu s GLY 667 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2iuu s GLY 667 CO -0.10 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.63 2iuu n GLY 668 N -2.91 3.80 0.24 0.20 0.00 -1.26 -4.95 105.19 100.31 2iuu n GLY 668 Ca 0.07 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 1.24 0.00 4.61 0.00 -1.89 0.51 119.26 123.73 2iuu h ALA 669 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2iuu h ALA 669 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iuu h ALA 669 CO 0.00 -0.24 -0.07 1.05 0.00 0.00 0.00 179.25 179.99 2iuu h GLU 670 N 0.00 0.00 -0.00 0.00 9.09 -1.81 -2.73 114.58 119.12 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 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 2iuu h GLU 670 CO 0.00 0.07 -0.14 1.04 0.05 0.00 0.00 179.01 180.04 2iuu n GLN 671 N -3.14 0.63 -1.30 1.06 1.13 0.18 -4.79 117.38 111.15 2iuu n GLN 671 Ca 0.03 -0.23 -0.32 0.00 -1.94 0.00 0.00 57.00 54.53 2iuu n GLN 671 Cb 0.49 -1.50 0.10 0.00 0.11 0.00 0.00 30.24 29.44 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 -2.53 3.15 0.00 1.08 1.43 -1.14 -4.81 118.68 115.85 2iuu s LEU 672 Ca 0.27 2.08 0.23 0.00 -1.03 0.00 0.00 54.13 55.67 2iuu s LEU 672 Cb 0.20 -4.55 0.72 0.00 0.03 0.00 0.00 46.19 42.58 2iuu s LEU 672 CO 0.49 -2.22 1.54 0.18 0.23 0.00 0.00 176.35 176.57 2iuu n LEU 673 N -3.21 1.99 0.00 1.79 4.77 -1.26 -4.87 117.00 116.21 2iuu n LEU 673 Ca 0.11 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2iuu n LEU 673 Cb 0.52 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2iuu n LEU 673 CO 0.50 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2iuu n GLY 674 N 1.21 -2.17 4.04 -0.72 0.00 -1.26 -4.91 105.19 101.38 2iuu n GLY 674 Ca 0.17 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.36 -1.55 -0.23 1.61 8.25 -1.07 -1.64 115.22 120.24 2iuu n HIS 675 Ca 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 2iuu n HIS 675 Cb 0.00 -3.44 0.00 0.00 1.12 0.00 0.00 29.99 27.67 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 -2.13 1.37 3.71 -1.41 0.00 0.72 -4.78 105.19 102.68 2iuu n GLY 676 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.10 6.71 0.16 1.61 3.68 -0.65 -0.74 116.67 124.33 2iuu s ASP 677 Ca 0.00 2.46 -0.04 0.00 2.13 0.00 0.00 52.55 57.10 2iuu s ASP 677 Cb 0.00 -2.59 -0.03 0.00 -1.45 0.00 0.00 42.92 38.85 2iuu s ASP 677 CO 0.00 -0.74 0.15 0.00 0.13 0.00 0.00 175.17 174.71 2iuu s MET 678 N 1.23 1.06 -0.22 4.34 0.23 0.16 -3.78 119.30 122.33 2iuu s MET 678 Ca 0.67 -1.38 0.02 0.00 -1.03 0.00 0.00 55.69 53.97 2iuu s MET 678 Cb -0.40 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.23 2iuu s MET 678 CO 0.31 -0.34 -0.15 -0.51 -2.03 0.00 0.00 175.02 172.29 2iuu s LEU 679 N -3.04 2.73 -0.29 0.18 1.43 0.11 -0.90 118.68 118.90 2iuu s LEU 679 Ca 0.24 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 2iuu s LEU 679 Cb 0.06 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2iuu s LEU 679 CO 0.03 -0.08 0.28 -0.47 0.23 0.00 0.00 176.35 176.33 2iuu s TYR 680 N 1.22 3.23 -0.53 0.29 5.04 0.28 -0.75 117.35 126.12 2iuu s TYR 680 Ca -0.01 0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.77 2iuu s TYR 680 Cb -0.16 -2.49 0.14 0.00 0.35 0.00 0.00 41.96 39.79 2iuu s TYR 680 CO -0.09 -0.24 0.30 -1.17 -1.34 0.00 0.00 175.55 173.00 2iuu s LEU 681 N 1.89 4.81 0.86 6.97 2.96 0.17 0.01 118.68 136.35 2iuu s LEU 681 Ca 0.10 -2.75 -0.12 0.00 -0.22 0.00 0.00 54.13 51.14 2iuu s LEU 681 Cb -0.16 -1.74 0.11 0.00 0.50 0.00 0.00 46.19 44.90 2iuu s LEU 681 CO 0.11 -0.33 1.10 -2.16 -1.32 0.00 0.00 176.35 173.74 2iuu s PRO 682 N 0.08 1.56 0.65 0.98 0.04 -1.26 -1.48 135.00 135.57 2iuu s PRO 682 Ca 0.15 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 2iuu s PRO 682 Cb -0.23 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2iuu s PRO 682 CO -0.03 -2.01 1.07 -0.35 0.04 0.00 0.00 177.00 175.73 2iuu n PRO 683 N -3.71 0.86 0.00 0.56 -0.04 -1.26 -4.86 135.00 126.54 2iuu n PRO 683 Ca 0.07 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2iuu n PRO 683 Cb 0.56 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 1.13 -0.37 3.33 0.55 0.00 -1.26 -4.95 105.19 103.62 2iuu n GLY 684 Ca 0.14 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.08 1.19 0.00 2.61 2.01 -1.26 -4.95 115.64 114.15 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 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.37 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 1.05 2.96 3.77 4.40 0.00 -1.26 -5.03 105.19 111.07 2iuu n GLY 686 Ca 0.14 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 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 4.40 0.83 0.99 1.43 -1.26 -4.97 118.68 120.10 2iuu s LEU 687 Ca 0.00 2.38 -0.14 0.00 -1.03 0.00 0.00 54.13 55.34 2iuu s LEU 687 Cb 0.00 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.50 2iuu s LEU 687 CO 0.00 -0.40 0.87 -0.81 0.23 0.00 0.00 176.35 176.24 2iuu n PRO 688 N 0.72 0.06 -3.64 1.29 -0.04 -1.26 -4.96 135.00 127.17 2iuu n PRO 688 Ca 0.01 0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 2iuu n PRO 688 Cb 0.45 -2.16 -0.11 0.00 -0.04 0.00 0.00 33.50 31.63 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 -2.17 4.97 0.07 0.52 -1.09 0.10 -4.88 121.20 118.71 2iuu s ILE 689 Ca 0.67 -0.01 -0.31 0.00 -2.23 0.00 0.00 60.65 58.78 2iuu s ILE 689 Cb -0.28 -3.39 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 2iuu s ILE 689 CO 0.57 0.24 1.19 -0.60 -1.23 0.00 0.00 174.94 175.11 2iuu s ARG 690 N 1.70 4.44 -0.03 2.79 3.52 -1.26 -0.56 118.95 129.56 2iuu s ARG 690 Ca 0.07 1.77 0.02 0.00 -0.13 0.00 0.00 55.73 57.46 2iuu s ARG 690 Cb -0.16 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 2iuu s ARG 690 CO 0.08 -0.25 -0.09 0.08 -0.81 0.00 0.00 175.30 174.32 2iuu s VAL 691 N 1.01 0.74 -0.57 7.11 1.01 -0.08 -3.82 120.40 125.81 2iuu s VAL 691 Ca 0.58 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2iuu s VAL 691 Cb -0.29 -0.67 0.10 0.00 0.00 0.00 0.00 36.38 35.52 2iuu s VAL 691 CO 0.29 0.24 0.64 -1.00 0.00 0.00 0.00 175.10 175.27 2iuu s HIS 692 N 0.21 3.06 0.34 5.22 0.09 0.12 -0.66 115.29 123.67 2iuu s HIS 692 Ca -0.03 -0.96 -0.27 0.00 -0.00 0.00 0.00 55.06 53.80 2iuu s HIS 692 Cb -0.08 -3.87 -0.13 0.00 -0.00 0.00 0.00 32.58 28.50 2iuu s HIS 692 CO 0.00 -1.19 1.02 0.41 -0.00 0.00 0.00 174.74 174.99 2iuu n GLY 693 N 5.26 -0.21 3.78 -2.22 0.00 0.08 -1.83 105.19 110.05 2iuu n GLY 693 Ca -0.10 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.15 3.13 -0.08 4.61 0.00 -1.01 -4.73 121.76 122.53 2iuu s ALA 694 Ca 0.60 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 2iuu s ALA 694 Cb -0.64 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 2iuu s ALA 694 CO 0.59 -0.20 0.57 0.12 0.00 0.00 0.00 175.76 176.85 2iuu s PHE 695 N -1.59 3.56 -0.13 0.00 5.36 0.13 -4.78 117.98 120.55 2iuu s PHE 695 Ca 0.56 1.06 -0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2iuu s PHE 695 Cb -0.23 -2.64 0.04 0.00 -0.34 0.00 0.00 43.02 39.84 2iuu s PHE 695 CO 0.29 0.18 -0.02 0.54 -1.46 0.00 0.00 175.22 174.75 2iuu s VAL 696 N 0.53 0.68 0.75 3.12 0.11 -1.26 -2.24 120.40 122.09 2iuu s VAL 696 Ca 0.31 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.99 2iuu s VAL 696 Cb -0.16 -0.89 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2iuu s VAL 696 CO 0.14 0.15 1.08 -0.94 -3.33 0.00 0.00 175.10 172.20 2iuu s SER 697 N 1.83 4.88 0.57 3.54 1.04 -1.26 -4.91 113.70 119.39 2iuu s SER 697 Ca 0.03 1.54 0.34 0.00 0.48 0.00 0.00 55.95 58.35 2iuu s SER 697 Cb -0.14 -2.34 1.71 0.00 0.10 0.00 0.00 66.02 65.35 2iuu s SER 697 CO -0.07 -1.75 2.13 0.44 0.98 0.00 0.00 173.24 174.97 2iuu h ASP 698 N -0.94 0.00 -0.01 7.02 3.45 -2.00 -2.10 116.42 121.84 2iuu h ASP 698 Ca -0.45 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 2iuu h ASP 698 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 2iuu h ASP 698 CO 0.57 0.05 -0.11 0.44 -1.57 0.00 0.00 179.24 178.62 2iuu h ASP 699 N 0.00 0.11 -0.92 6.45 3.45 -1.98 0.51 116.42 124.04 2iuu h ASP 699 Ca -0.00 -0.72 0.09 0.00 0.43 0.00 0.00 57.03 56.83 2iuu h ASP 699 Cb 0.30 -0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 38.97 2iuu h ASP 699 CO 0.01 0.82 0.59 -0.33 -1.57 0.00 0.00 179.24 178.76 2iuu h GLU 700 N -0.58 0.93 0.12 3.56 5.08 -1.76 0.28 114.58 122.20 2iuu h GLU 700 Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2iuu h GLU 700 Cb 0.82 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2iuu h GLU 700 CO 0.02 0.62 -0.06 0.28 -1.00 0.00 0.00 179.01 178.87 2iuu h VAL 701 N 0.96 1.07 -0.99 3.13 2.07 -1.38 -2.29 116.25 118.82 2iuu h VAL 701 Ca 0.42 -1.16 0.20 0.00 0.82 0.00 0.00 66.70 66.98 2iuu h VAL 701 Cb 0.35 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.77 2iuu h VAL 701 CO -0.18 0.26 0.62 -0.74 0.02 0.00 0.00 177.57 177.54 2iuu h HIS 702 N -0.74 0.91 0.65 1.57 -0.00 -0.46 -0.51 115.15 116.57 2iuu h HIS 702 Ca -0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 2iuu h HIS 702 Cb 0.54 -0.27 0.01 0.00 -0.00 0.00 0.00 27.41 27.69 2iuu h HIS 702 CO 0.10 0.20 -0.31 -0.09 -0.00 0.00 0.00 177.93 177.82 2iuu h ARG 703 N 0.65 -0.84 -0.39 5.26 2.43 -0.43 -2.25 114.38 118.81 2iuu h ARG 703 Ca 0.56 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.86 2iuu h ARG 703 Cb 1.02 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 2iuu h ARG 703 CO -0.33 -0.52 0.27 0.28 -1.51 0.00 0.00 179.97 178.16 2iuu h VAL 704 N -1.07 0.90 0.48 0.20 2.07 -0.79 -0.81 116.25 117.24 2iuu h VAL 704 Ca -0.09 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2iuu h VAL 704 Cb 0.71 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2iuu h VAL 704 CO 0.15 0.04 -0.23 0.58 0.02 0.00 0.00 177.57 178.12 2iuu h VAL 705 N 0.20 0.41 -0.98 2.57 2.07 -1.03 -2.28 116.25 117.20 2iuu h VAL 705 Ca 0.18 -0.42 0.14 0.00 0.82 0.00 0.00 66.70 67.42 2iuu h VAL 705 Cb 0.45 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2iuu h VAL 705 CO -0.03 0.06 0.60 -0.33 0.02 0.00 0.00 177.57 177.89 2iuu h GLU 706 N -0.94 0.86 -0.87 1.57 4.39 -0.81 0.17 114.58 118.95 2iuu h GLU 706 Ca -0.07 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.62 2iuu h GLU 706 Cb 0.59 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2iuu h GLU 706 CO 0.11 0.57 0.57 0.00 -1.16 0.00 0.00 179.01 179.10 2iuu h ALA 707 N 1.57 1.46 0.11 3.43 0.00 -1.06 -1.62 119.26 123.15 2iuu h ALA 707 Ca 0.52 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.11 2iuu h ALA 707 Cb 0.62 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2iuu h ALA 707 CO -0.31 0.45 -1.26 -1.49 0.00 0.00 0.00 179.25 176.64 2iuu h TRP 708 N 1.08 0.43 0.00 0.00 4.06 -0.24 -3.03 115.95 118.25 2iuu h TRP 708 Ca 0.35 -0.31 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 2iuu h TRP 708 Cb 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2iuu h TRP 708 CO -0.00 1.26 -0.09 0.87 -3.56 0.00 0.00 178.44 176.92 2iuu h LYS 709 N 0.06 0.00 0.02 0.49 1.57 -0.31 -1.58 116.57 116.82 2iuu h LYS 709 Ca -0.14 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.47 2iuu h LYS 709 Cb 1.96 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.28 2iuu h LYS 709 CO 0.19 0.09 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.39 2iuu h LEU 710 N 0.00 0.59 0.00 2.94 3.38 -1.31 -3.23 115.31 117.68 2iuu h LEU 710 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2iuu h LEU 710 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2iuu h LEU 710 CO 0.01 1.29 0.00 0.54 0.09 0.00 0.00 178.44 180.37 2iuu n ARG 711 N -4.15 0.38 0.00 1.13 1.74 -0.62 -4.85 116.66 110.29 2iuu n ARG 711 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2iuu n ARG 711 Cb 0.72 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 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 -0.22 3.11 3.94 -0.13 0.00 -1.07 -5.08 105.19 105.74 2iuu n GLY 712 Ca 0.08 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 3.64 -0.16 4.61 0.00 -1.26 -4.38 121.76 122.22 2iuu s ALA 713 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 2iuu s ALA 713 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2iuu s ALA 713 CO 0.00 -0.09 1.72 -1.25 0.00 0.00 0.00 175.76 176.15 2iuu s PRO 714 N -4.40 3.85 -1.13 0.00 0.04 -1.24 -4.45 135.00 127.66 2iuu s PRO 714 Ca 0.41 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 2iuu s PRO 714 Cb -0.10 -4.07 0.27 0.00 0.04 0.00 0.00 34.50 30.64 2iuu s PRO 714 CO 0.38 -1.24 1.42 -3.47 0.04 0.00 0.00 177.00 174.12 2iuu n ASP 715 N 8.39 5.84 -4.80 6.66 4.64 -1.26 -5.03 116.55 131.00 2iuu n ASP 715 Ca 0.20 -3.21 -0.31 0.00 -1.38 0.00 0.00 54.79 50.09 2iuu n ASP 715 Cb 0.44 -1.36 0.06 0.00 -1.04 0.00 0.00 41.12 39.22 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 -1.45 2.88 -0.61 -0.67 4.12 -1.26 -4.76 117.35 115.60 2iuu s TYR 716 Ca 0.33 1.48 0.06 0.00 0.02 0.00 0.00 57.07 58.97 2iuu s TYR 716 Cb -0.00 -2.97 0.21 0.00 -1.52 0.00 0.00 41.96 37.69 2iuu s TYR 716 CO 0.02 -1.45 0.59 -0.89 0.02 0.00 0.00 175.55 173.84 2iuu n ILE 717 N -3.15 1.38 -0.07 2.71 -0.00 -0.33 -4.96 119.36 114.94 2iuu n ILE 717 Ca 0.08 -4.77 0.18 0.00 -0.00 0.00 0.00 62.75 58.24 2iuu n ILE 717 Cb 0.53 -2.07 0.28 0.00 -0.00 0.00 0.00 39.64 38.39 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 1.49 0.02 -0.26 0.38 2.13 -1.26 0.30 120.64 123.45 2iuu n GLU 718 Ca 0.25 0.87 0.02 0.00 0.66 0.00 0.00 57.16 58.97 2iuu n GLU 718 Cb 0.41 -2.21 0.15 0.00 0.27 0.00 0.00 31.44 30.06 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 0.50 -0.63 4.31 -0.00 -1.95 -3.18 116.42 115.47 2iuu h ASP 719 Ca 0.32 0.06 0.08 0.00 -0.00 0.00 0.00 57.03 57.49 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 0.30 -0.29 -0.00 0.00 0.00 179.24 179.53 2iuu h ILE 720 N 0.63 0.87 -0.00 2.25 2.10 -0.52 -2.68 117.51 120.16 2iuu h ILE 720 Ca 0.37 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.12 2iuu h ILE 720 Cb 0.39 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 2iuu h ILE 720 CO -0.27 0.10 -0.04 0.18 -1.08 0.00 0.00 178.15 177.04 2iuu n LEU 721 N -4.89 0.12 -0.01 2.19 4.77 -1.20 -3.73 117.00 114.25 2iuu n LEU 721 Ca 0.08 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2iuu n LEU 721 Cb 0.23 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2iuu n LEU 721 CO 0.26 0.02 0.25 0.00 -1.33 0.00 0.00 177.39 176.59