#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 0.80 -2.81 1.96 -0.04 -1.26 -4.97 135.00 128.68 2iuu n PRO 316 Ca 0.00 0.28 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 2iuu n PRO 316 Cb 0.00 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 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 -0.97 4.76 0.00 0.54 0.04 -1.26 -4.93 135.00 133.18 2iuu s PRO 317 Ca 0.66 1.39 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2iuu s PRO 317 Cb -0.85 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 30.54 2iuu s PRO 317 CO 0.57 0.50 0.79 1.28 0.04 0.00 0.00 177.00 180.17 2iuu n LEU 318 N 1.67 0.00 0.22 -3.56 4.77 -1.26 -1.38 117.00 117.47 2iuu n LEU 318 Ca -0.03 0.17 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 2iuu n LEU 318 Cb 0.48 -0.17 0.63 0.00 -2.33 0.00 0.00 43.42 42.03 2iuu n LEU 318 CO 0.49 -0.16 0.94 0.28 -1.33 0.00 0.00 177.39 177.62 2iuu h SER 319 N 0.00 0.00 1.01 -1.43 0.02 -2.01 -2.51 113.55 108.63 2iuu h SER 319 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2iuu h SER 319 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2iuu h SER 319 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2iuu n LEU 320 N -2.73 0.68 -4.79 5.07 4.77 -0.48 -4.79 117.00 114.73 2iuu n LEU 320 Ca 0.01 0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 56.22 2iuu n LEU 320 Cb 0.26 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2iuu n LEU 320 CO 0.24 -0.39 0.34 -0.76 -1.33 0.00 0.00 177.39 175.49 2iuu s LEU 321 N -4.39 4.51 0.57 2.23 1.43 -0.95 -4.81 118.68 117.28 2iuu s LEU 321 Ca 0.07 1.35 -0.20 0.00 -1.03 0.00 0.00 54.13 54.32 2iuu s LEU 321 Cb 0.11 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2iuu s LEU 321 CO 0.47 0.20 1.19 0.47 0.23 0.00 0.00 176.35 178.91 2iuu n ASP 322 N 2.01 1.82 -4.82 2.29 8.00 -1.26 -4.94 116.55 119.65 2iuu n ASP 322 Ca -0.08 0.90 -0.32 0.00 0.71 0.00 0.00 54.79 56.00 2iuu n ASP 322 Cb 0.50 -1.49 -0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2iuu n ASP 322 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2iuu s PRO 323 N -2.85 3.54 -0.11 -0.24 0.02 -1.26 -4.44 135.00 129.66 2iuu s PRO 323 Ca 0.74 1.08 -0.29 0.00 0.02 0.00 0.00 61.00 62.55 2iuu s PRO 323 Cb -0.42 -2.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.97 2iuu s PRO 323 CO 0.48 -0.62 1.93 0.00 -0.33 0.00 0.00 177.00 178.45 2iuu s ALA 324 N -2.59 3.26 0.73 -1.55 0.00 -1.26 -4.95 121.76 115.41 2iuu s ALA 324 Ca 0.61 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 2iuu s ALA 324 Cb -0.13 -3.90 0.04 0.00 0.00 0.00 0.00 23.12 19.12 2iuu s ALA 324 CO 0.37 -2.00 1.21 -1.21 0.00 0.00 0.00 175.76 174.12 2iuu s GLU 325 N 5.02 2.11 -0.46 0.00 2.02 -1.26 -4.80 118.70 121.33 2iuu s GLU 325 Ca 0.86 1.75 -0.34 0.00 0.02 0.00 0.00 54.97 57.26 2iuu s GLU 325 Cb -0.35 -1.83 -0.13 0.00 0.10 0.00 0.00 34.13 31.92 2iuu s GLU 325 CO 0.36 -1.85 2.28 0.28 0.02 0.00 0.00 175.26 176.34 2iuu n VAL 326 N -2.76 0.11 -1.78 2.63 0.31 -1.26 -4.80 118.33 110.78 2iuu n VAL 326 Ca 0.13 -0.26 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 2iuu n VAL 326 Cb 0.50 -1.52 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 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 8.27 1.73 -1.99 5.55 2.85 -1.26 -4.83 118.16 128.47 2iuu n LYS 327 Ca 0.45 -2.32 -0.42 0.00 -1.05 0.00 0.00 58.31 54.97 2iuu n LYS 327 Cb 0.21 -3.42 -0.01 0.00 -0.65 0.00 0.00 35.03 31.17 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 7.78 2.82 0.00 -1.58 7.27 -1.26 -4.80 117.38 127.61 2iuu n GLN 328 Ca 0.47 -2.77 0.00 0.00 0.07 0.00 0.00 57.00 54.77 2iuu n GLN 328 Cb 0.44 -3.35 0.00 0.00 2.41 0.00 0.00 30.24 29.74 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 7.04 0.00 -2.13 3.69 0.00 -1.26 -5.04 118.16 120.46 2iuu n LYS 329 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 2iuu n LYS 329 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.45 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 -8.24 -4.14 -5.58 3.41 -1.26 -4.99 113.62 92.82 2iuu n SER 330 Ca 0.00 1.49 -0.34 0.00 -0.26 0.00 0.00 58.87 59.76 2iuu n SER 330 Cb 0.00 -4.80 -0.14 0.00 -0.26 0.00 0.00 64.21 59.01 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 -0.49 3.30 0.17 7.33 1.51 -1.26 -5.08 117.35 122.83 2iuu s TYR 331 Ca 0.00 -2.04 -0.30 0.00 -1.01 0.00 0.00 57.07 53.72 2iuu s TYR 331 Cb 0.00 -2.16 -0.17 0.00 -0.11 0.00 0.00 41.96 39.51 2iuu s TYR 331 CO 0.00 -0.83 0.68 -1.13 -1.11 0.00 0.00 175.55 173.16 2iuu n SER 332 N 4.57 -0.73 -0.13 2.29 3.41 -1.26 -4.56 113.62 117.21 2iuu n SER 332 Ca -0.12 1.14 0.28 0.00 -0.26 0.00 0.00 58.87 59.91 2iuu n SER 332 Cb 0.43 -0.98 0.66 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.00 4.33 0.11 -1.99 0.53 132.00 136.51 2iuu h PRO 333 Ca -0.34 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 2iuu h PRO 333 Cb 1.43 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.55 2iuu h PRO 333 CO 0.59 0.00 -0.75 1.05 -0.21 0.00 0.00 178.00 178.68 2iuu h GLU 334 N 0.00 0.51 0.13 1.05 4.11 -1.99 -2.42 114.58 115.97 2iuu h GLU 334 Ca 0.41 -0.55 -0.00 0.00 0.07 0.00 0.00 59.36 59.28 2iuu h GLU 334 Cb 2.03 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.44 2iuu h GLU 334 CO -0.00 1.18 -0.08 0.77 0.07 0.00 0.00 179.01 180.95 2iuu h SER 335 N 0.06 -0.18 -0.95 3.06 0.02 -0.25 0.56 113.55 115.87 2iuu h SER 335 Ca -0.09 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2iuu h SER 335 Cb 1.44 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.98 2iuu h SER 335 CO 0.15 -0.12 0.62 -0.07 -1.14 0.00 0.00 176.83 176.27 2iuu h LEU 336 N -0.20 1.03 -1.02 5.07 3.38 -1.49 -1.03 115.31 121.05 2iuu h LEU 336 Ca -0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2iuu h LEU 336 Cb 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2iuu h LEU 336 CO 0.02 0.70 -0.47 -0.08 0.09 0.00 0.00 178.44 178.69 2iuu h GLU 337 N 1.19 0.04 0.14 1.13 4.22 -1.00 -1.60 114.58 118.69 2iuu h GLU 337 Ca 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.80 2iuu h GLU 337 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2iuu h GLU 337 CO -0.12 0.50 -0.07 0.00 -2.18 0.00 0.00 179.01 177.14 2iuu h ALA 338 N 1.50 -0.19 -0.85 2.92 0.00 0.33 -2.59 119.26 120.38 2iuu h ALA 338 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2iuu h ALA 338 Cb 0.85 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2iuu h ALA 338 CO 0.06 -0.42 0.55 1.98 0.00 0.00 0.00 179.25 181.42 2iuu h MET 339 N -0.56 0.95 -0.41 0.00 1.85 -1.22 -0.96 114.93 114.58 2iuu h MET 339 Ca -0.02 -0.06 0.05 0.00 -0.61 0.00 0.00 59.70 59.06 2iuu h MET 339 Cb 0.43 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 32.21 2iuu h MET 339 CO 0.03 0.63 0.16 0.77 -0.40 0.00 0.00 176.91 178.10 2iuu h SER 340 N 0.98 0.19 0.10 1.39 0.02 -1.16 0.16 113.55 115.22 2iuu h SER 340 Ca 0.35 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.21 2iuu h SER 340 Cb 0.15 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2iuu h SER 340 CO -0.12 0.14 -0.47 0.03 -1.14 0.00 0.00 176.83 175.27 2iuu h ARG 341 N 0.33 0.44 0.10 3.45 -0.00 -0.98 -2.21 114.38 115.52 2iuu h ARG 341 Ca 0.19 -0.25 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2iuu h ARG 341 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 2iuu h ARG 341 CO -0.18 0.83 -0.08 1.25 0.00 0.00 0.00 179.97 181.79 2iuu h LEU 342 N 0.36 -0.21 -0.08 3.04 6.46 -0.45 0.24 115.31 124.68 2iuu h LEU 342 Ca 0.02 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 2iuu h LEU 342 Cb 0.97 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.91 2iuu h LEU 342 CO 0.08 -0.13 -0.33 0.25 -0.62 0.00 0.00 178.44 177.70 2iuu h LEU 343 N -0.19 -1.01 -0.64 2.25 6.46 -0.63 0.15 115.31 121.70 2iuu h LEU 343 Ca -0.00 0.14 0.11 0.00 -0.12 0.00 0.00 57.88 58.01 2iuu h LEU 343 Cb 0.17 0.42 -0.08 0.00 -0.73 0.00 0.00 40.66 40.44 2iuu h LEU 343 CO -0.01 -0.38 0.22 -0.33 -0.62 0.00 0.00 178.44 177.33 2iuu h GLU 344 N -0.44 0.37 0.23 1.25 5.08 -0.95 -1.53 114.58 118.59 2iuu h GLU 344 Ca 0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2iuu h GLU 344 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2iuu h GLU 344 CO -0.32 0.24 -0.11 0.82 -1.00 0.00 0.00 179.01 178.64 2iuu h ILE 345 N 0.38 0.81 -0.73 3.13 1.08 0.55 -1.73 117.51 121.00 2iuu h ILE 345 Ca 0.33 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.63 2iuu h ILE 345 Cb 0.46 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 2iuu h ILE 345 CO -0.35 0.05 0.46 0.11 -0.69 0.00 0.00 178.15 177.73 2iuu h LYS 346 N -0.41 0.88 -0.29 2.37 1.79 -0.40 0.11 116.57 120.62 2iuu h LYS 346 Ca -0.03 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 2iuu h LYS 346 Cb 0.31 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2iuu h LYS 346 CO 0.05 0.58 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.81 2iuu h LEU 347 N 0.91 0.47 -0.58 2.94 3.38 -1.26 -2.28 115.31 118.90 2iuu h LEU 347 Ca 0.29 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2iuu h LEU 347 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2iuu h LEU 347 CO -0.11 0.63 -0.22 0.50 0.09 0.00 0.00 178.44 179.33 2iuu h LYS 348 N 0.45 0.91 -0.94 1.13 3.11 -0.47 -2.45 116.57 118.31 2iuu h LYS 348 Ca 0.08 -0.38 0.04 0.00 -2.81 0.00 0.00 60.65 57.59 2iuu h LYS 348 Cb 0.49 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.63 2iuu h LYS 348 CO 0.03 1.03 0.61 0.93 -2.81 0.00 0.00 179.45 179.25 2iuu h GLU 349 N 0.78 1.12 0.00 1.90 5.08 -0.27 -3.41 114.58 119.79 2iuu h GLU 349 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2iuu h GLU 349 Cb 0.77 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2iuu h GLU 349 CO 0.06 0.74 0.00 1.19 -1.00 0.00 0.00 179.01 180.00 2iuu n PHE 350 N -4.46 -2.92 0.02 4.33 3.01 -0.94 -5.00 117.46 111.52 2iuu n PHE 350 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 2iuu n PHE 350 Cb 0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.55 2iuu n PHE 350 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2iuu h GLY 351 N 0.00 -0.00 -3.72 1.37 0.00 -1.78 -3.46 103.07 95.47 2iuu h GLY 351 Ca 0.00 0.06 -0.51 0.00 0.00 0.00 0.00 47.33 46.88 2iuu h GLY 351 CO 0.00 -0.06 0.54 -1.34 0.00 0.00 0.00 176.54 175.68 2iuu s VAL 352 N -6.18 3.15 -0.27 4.60 -7.23 -1.14 -4.87 120.40 108.45 2iuu s VAL 352 Ca -0.13 1.12 -0.05 0.00 -1.81 0.00 0.00 61.98 61.11 2iuu s VAL 352 Cb 0.08 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.33 2iuu s VAL 352 CO 0.67 0.24 0.02 -0.70 -0.31 0.00 0.00 175.10 175.02 2iuu s GLU 353 N -1.72 2.99 0.17 4.82 2.12 -1.26 -2.17 118.70 123.65 2iuu s GLU 353 Ca 0.48 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.90 2iuu s GLU 353 Cb -0.35 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2iuu s GLU 353 CO 0.45 -0.42 0.11 0.54 -0.54 0.00 0.00 175.26 175.40 2iuu s VAL 354 N 1.42 0.04 -0.02 3.70 0.11 -1.26 -1.52 120.40 122.88 2iuu s VAL 354 Ca 0.02 -1.95 0.00 0.00 -2.93 0.00 0.00 61.98 57.12 2iuu s VAL 354 Cb -0.17 -2.30 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2iuu s VAL 354 CO -0.01 -0.19 0.02 -0.94 -3.33 0.00 0.00 175.10 170.65 2iuu s SER 355 N -3.11 0.11 0.24 3.54 1.04 -0.95 -4.79 113.70 109.78 2iuu s SER 355 Ca 0.32 0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.46 2iuu s SER 355 Cb 0.07 -0.07 -0.12 0.00 0.10 0.00 0.00 66.02 66.00 2iuu s SER 355 CO 0.08 -0.09 1.66 -0.69 0.98 0.00 0.00 173.24 175.18 2iuu s VAL 356 N 0.74 2.08 -0.14 5.02 1.01 -1.26 -0.47 120.40 127.39 2iuu s VAL 356 Ca -0.06 0.06 0.17 0.00 0.00 0.00 0.00 61.98 62.15 2iuu s VAL 356 Cb -0.09 -3.04 -0.25 0.00 0.00 0.00 0.00 36.38 33.00 2iuu s VAL 356 CO -0.02 0.01 0.16 -0.67 0.00 0.00 0.00 175.10 174.58 2iuu n ASP 357 N 3.27 0.48 -3.60 3.32 2.03 0.18 -4.84 116.55 117.39 2iuu n ASP 357 Ca 0.13 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.38 2iuu n ASP 357 Cb 0.36 1.20 -0.03 0.00 -0.72 0.00 0.00 41.12 41.93 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 -5.00 -0.18 -0.04 1.67 1.04 -1.07 -5.00 113.70 105.12 2iuu s SER 358 Ca -0.09 0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.52 2iuu s SER 358 Cb 0.07 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2iuu s SER 358 CO 0.77 -0.23 -0.21 -0.69 0.98 0.00 0.00 173.24 173.86 2iuu s VAL 359 N -1.70 1.74 -0.39 5.02 1.01 -1.26 -1.30 120.40 123.52 2iuu s VAL 359 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2iuu s VAL 359 Cb -0.01 -1.46 0.12 0.00 0.00 0.00 0.00 36.38 35.03 2iuu s VAL 359 CO -0.04 0.49 0.19 -1.00 0.00 0.00 0.00 175.10 174.74 2iuu s HIS 360 N -0.24 1.76 0.59 5.22 3.76 0.13 -5.00 115.29 121.51 2iuu s HIS 360 Ca 0.01 -2.12 -0.16 0.00 -0.15 0.00 0.00 55.06 52.64 2iuu s HIS 360 Cb -0.11 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.81 2iuu s HIS 360 CO 0.01 -0.82 1.07 -1.25 -0.85 0.00 0.00 174.74 172.90 2iuu s PRO 361 N 0.84 3.30 0.19 8.40 0.04 -1.26 -1.33 135.00 145.19 2iuu s PRO 361 Ca 0.15 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 2iuu s PRO 361 Cb -0.22 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2iuu s PRO 361 CO -0.07 -0.83 0.25 0.41 0.04 0.00 0.00 177.00 176.79 2iuu n GLY 362 N -0.76 2.72 0.22 0.56 0.00 -0.56 -4.78 105.19 102.59 2iuu n GLY 362 Ca 0.09 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 0.69 0.00 1.61 0.11 -1.88 -3.38 132.00 129.16 2iuu h PRO 363 Ca -0.15 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 65.68 2iuu h PRO 363 Cb 0.66 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 2iuu h PRO 363 CO 0.20 0.52 -1.82 0.28 -0.21 0.00 0.00 178.00 176.97 2iuu n VAL 364 N -4.68 0.82 -4.42 3.15 0.31 -1.26 -1.64 118.33 110.62 2iuu n VAL 364 Ca 0.02 -0.32 -0.22 0.00 -0.01 0.00 0.00 64.34 63.81 2iuu n VAL 364 Cb 0.06 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 31.91 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 -2.29 0.42 -0.07 2.52 -0.00 -1.26 -1.42 121.20 119.10 2iuu s ILE 365 Ca -0.19 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.46 2iuu s ILE 365 Cb 0.05 -2.43 0.02 0.00 -0.00 0.00 0.00 42.46 40.10 2iuu s ILE 365 CO 0.34 0.00 -0.06 -0.89 -0.00 0.00 0.00 174.94 174.33 2iuu s THR 366 N -3.37 0.73 -0.10 8.37 2.01 -0.16 -1.49 115.64 121.64 2iuu s THR 366 Ca 0.31 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.95 2iuu s THR 366 Cb 0.03 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2iuu s THR 366 CO 0.18 0.29 0.50 -0.60 -0.69 0.00 0.00 174.62 174.30 2iuu s ARG 367 N 1.29 4.32 -0.33 4.92 3.52 -0.44 -1.60 118.95 130.64 2iuu s ARG 367 Ca -0.04 0.50 -0.03 0.00 -0.13 0.00 0.00 55.73 56.02 2iuu s ARG 367 Cb -0.14 -3.41 0.06 0.00 -1.56 0.00 0.00 34.95 29.90 2iuu s ARG 367 CO -0.02 0.21 0.06 -0.06 -0.81 0.00 0.00 175.30 174.67 2iuu s PHE 368 N 0.45 3.32 -0.27 5.12 0.40 0.02 -0.69 117.98 126.32 2iuu s PHE 368 Ca 0.27 -1.86 -0.29 0.00 -0.60 0.00 0.00 56.93 54.45 2iuu s PHE 368 Cb -0.16 -2.33 0.01 0.00 0.51 0.00 0.00 43.02 41.05 2iuu s PHE 368 CO 0.12 -0.81 1.04 -1.21 0.70 0.00 0.00 175.22 175.05 2iuu s GLU 369 N 1.27 4.16 0.13 0.44 2.02 -0.42 -1.59 118.70 124.70 2iuu s GLU 369 Ca -0.02 1.19 0.07 0.00 0.02 0.00 0.00 54.97 56.23 2iuu s GLU 369 Cb -0.20 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2iuu s GLU 369 CO -0.01 -0.75 -0.08 0.96 0.02 0.00 0.00 175.26 175.40 2iuu s ILE 370 N 3.39 3.42 -0.35 -1.63 -0.00 0.98 0.52 121.20 127.54 2iuu s ILE 370 Ca 0.44 -1.35 -0.08 0.00 -0.00 0.00 0.00 60.65 59.67 2iuu s ILE 370 Cb -0.14 -2.64 0.04 0.00 -0.00 0.00 0.00 42.46 39.72 2iuu s ILE 370 CO 0.11 0.04 0.13 -1.58 -0.00 0.00 0.00 174.94 173.64 2iuu s GLN 371 N -2.44 2.69 0.41 0.37 2.00 0.38 -0.99 119.66 122.09 2iuu s GLN 371 Ca 0.23 -1.14 -0.26 0.00 -2.00 0.00 0.00 55.36 52.19 2iuu s GLN 371 Cb -0.10 -3.53 -0.09 0.00 0.80 0.00 0.00 33.01 30.09 2iuu s GLN 371 CO 0.15 -0.67 1.36 -2.14 -0.50 0.00 0.00 175.29 173.49 2iuu s PRO 372 N 1.45 3.91 1.27 1.67 0.02 -1.26 -2.23 135.00 139.82 2iuu s PRO 372 Ca -0.01 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 2iuu s PRO 372 Cb -0.19 -2.76 0.32 0.00 0.02 0.00 0.00 34.50 31.88 2iuu s PRO 372 CO 0.04 -0.59 0.99 0.00 -0.33 0.00 0.00 177.00 177.12 2iuu s ALA 373 N -1.22 -0.49 0.26 -1.55 0.00 -0.57 -4.89 121.76 113.29 2iuu s ALA 373 Ca 0.57 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 2iuu s ALA 373 Cb -0.41 -3.09 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 2iuu s ALA 373 CO 0.53 -4.11 1.50 0.00 0.00 0.00 0.00 175.76 173.68 2iuu s ALA 374 N -2.45 3.68 0.00 0.00 0.00 -1.26 -2.83 121.76 118.89 2iuu s ALA 374 Ca 0.69 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.06 2iuu s ALA 374 Cb -0.19 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2iuu s ALA 374 CO 0.61 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2iuu n GLY 375 N 2.28 2.92 3.72 0.00 0.00 -1.26 -5.01 105.19 107.83 2iuu n GLY 375 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.08 4.32 -0.04 1.61 0.11 -1.13 -5.03 120.40 118.16 2iuu s VAL 376 Ca 0.00 1.83 -0.13 0.00 -2.93 0.00 0.00 61.98 60.75 2iuu s VAL 376 Cb 0.00 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.63 2iuu s VAL 376 CO 0.00 0.23 0.35 -0.54 -3.33 0.00 0.00 175.10 171.82 2iuu s LYS 377 N 0.31 3.89 0.30 1.54 1.02 -1.26 -4.87 119.74 120.67 2iuu s LYS 377 Ca 0.51 0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.84 2iuu s LYS 377 Cb -0.26 -3.25 0.79 0.00 -0.52 0.00 0.00 37.83 34.60 2iuu s LYS 377 CO 0.31 0.63 1.68 0.28 -0.92 0.00 0.00 175.35 177.33 2iuu h VAL 378 N 3.91 0.42 -0.87 3.17 2.07 -1.96 0.46 116.25 123.45 2iuu h VAL 378 Ca -0.51 -0.13 0.20 0.00 0.82 0.00 0.00 66.70 67.08 2iuu h VAL 378 Cb 1.21 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 2iuu h VAL 378 CO 0.63 0.07 0.38 0.77 0.02 0.00 0.00 177.57 179.44 2iuu h SER 379 N 0.36 0.34 -0.78 0.57 4.64 -1.99 0.24 113.55 116.94 2iuu h SER 379 Ca 0.59 0.14 0.12 0.00 -0.47 0.00 0.00 61.79 62.17 2iuu h SER 379 Cb 1.17 0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 63.29 2iuu h SER 379 CO -0.56 0.05 0.39 0.03 -0.87 0.00 0.00 176.83 175.86 2iuu h ARG 380 N 0.44 0.58 0.54 4.77 3.08 -1.31 0.23 114.38 122.72 2iuu h ARG 380 Ca 0.52 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.51 2iuu h ARG 380 Cb 0.92 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.84 2iuu h ARG 380 CO -0.48 0.39 -0.26 0.82 -1.07 0.00 0.00 179.97 179.36 2iuu h ILE 381 N 0.60 0.38 -0.85 2.04 1.08 -0.64 -3.17 117.51 116.96 2iuu h ILE 381 Ca 0.41 -0.30 0.15 0.00 -0.39 0.00 0.00 64.86 64.72 2iuu h ILE 381 Cb 0.51 0.49 -0.09 0.00 -3.07 0.00 0.00 36.82 34.67 2iuu h ILE 381 CO -0.32 0.04 0.44 0.28 -0.69 0.00 0.00 178.15 177.90 2iuu h SER 382 N -0.94 0.53 -0.03 1.72 0.02 -0.79 -1.91 113.55 112.16 2iuu h SER 382 Ca -0.07 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2iuu h SER 382 Cb 0.63 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2iuu h SER 382 CO 0.12 0.22 0.03 0.78 -1.14 0.00 0.00 176.83 176.84 2iuu h ASN 383 N 0.62 0.00 -1.22 3.07 -0.26 -0.53 -2.85 115.58 114.41 2iuu h ASN 383 Ca 0.46 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.59 2iuu h ASN 383 Cb 0.66 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.53 2iuu h ASN 383 CO -0.36 0.00 -0.30 0.00 -1.06 0.00 0.00 177.43 175.71 2iuu n LEU 384 N -4.27 5.59 0.07 1.61 -0.00 -0.72 -4.58 117.00 114.70 2iuu n LEU 384 Ca -0.02 -4.86 -0.09 0.00 -0.00 0.00 0.00 56.01 51.03 2iuu n LEU 384 Cb 0.12 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 42.99 2iuu n LEU 384 CO 0.32 2.02 0.31 0.00 -0.00 0.00 0.00 177.39 180.03 2iuu h ALA 385 N 2.40 0.57 -0.09 1.47 0.00 -1.57 -0.41 119.26 121.63 2iuu h ALA 385 Ca 0.41 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2iuu h ALA 385 Cb 1.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2iuu h ALA 385 CO 1.00 0.82 -0.00 -0.22 0.00 0.00 0.00 179.25 180.84 2iuu h LYS 386 N 0.20 0.16 -0.23 0.00 1.63 -1.84 -1.66 116.57 114.82 2iuu h LYS 386 Ca -0.04 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.58 2iuu h LYS 386 Cb 1.39 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.01 2iuu h LYS 386 CO 0.13 0.43 -0.34 -0.44 -3.45 0.00 0.00 179.45 175.79 2iuu h ASP 387 N -0.13 0.70 -0.79 4.20 5.19 -1.88 -2.77 116.42 120.94 2iuu h ASP 387 Ca 0.02 -0.51 0.07 0.00 -0.62 0.00 0.00 57.03 55.99 2iuu h ASP 387 Cb 0.37 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2iuu h ASP 387 CO 0.01 1.08 0.46 0.25 -3.12 0.00 0.00 179.24 177.92 2iuu h LEU 388 N 0.35 0.70 -0.80 1.55 5.85 -1.09 0.25 115.31 122.11 2iuu h LEU 388 Ca 0.02 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2iuu h LEU 388 Cb 0.92 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2iuu h LEU 388 CO 0.08 0.43 0.52 0.00 -0.34 0.00 0.00 178.44 179.13 2iuu h ALA 389 N 1.40 1.03 -0.34 1.25 0.00 -1.24 -1.07 119.26 120.28 2iuu h ALA 389 Ca 0.36 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2iuu h ALA 389 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2iuu h ALA 389 CO -0.20 0.38 -0.10 -0.09 0.00 0.00 0.00 179.25 179.24 2iuu h ARG 390 N 1.04 0.68 0.00 0.00 2.43 -0.81 -1.08 114.38 116.64 2iuu h ARG 390 Ca 0.30 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2iuu h ARG 390 Cb -0.07 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2iuu h ARG 390 CO -0.08 0.85 -0.04 0.66 -1.51 0.00 0.00 179.97 179.85 2iuu h SER 391 N 0.46 0.00 -0.11 -3.80 4.64 -0.64 0.12 113.55 114.24 2iuu h SER 391 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2iuu h SER 391 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2iuu h SER 391 CO 0.04 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 2iuu n LEU 392 N -3.91 2.35 -3.14 5.97 4.77 -0.44 -4.96 117.00 117.64 2iuu n LEU 392 Ca -0.03 -0.86 -0.23 0.00 -0.03 0.00 0.00 56.01 54.87 2iuu n LEU 392 Cb 0.13 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2iuu n LEU 392 CO 0.29 0.43 -0.02 0.00 -1.33 0.00 0.00 177.39 176.77 2iuu n ALA 393 N 0.81 -1.01 -2.54 -1.18 0.00 0.03 -5.00 120.51 111.63 2iuu n ALA 393 Ca 0.17 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 2iuu n ALA 393 Cb 0.47 -3.43 -0.10 0.00 0.00 0.00 0.00 19.45 16.39 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 -3.07 3.09 0.52 0.00 -7.23 -0.55 -5.04 120.40 108.13 2iuu s VAL 394 Ca 0.34 -1.48 0.16 0.00 -1.81 0.00 0.00 61.98 59.19 2iuu s VAL 394 Cb -0.16 -2.46 0.27 0.00 0.56 0.00 0.00 36.38 34.59 2iuu s VAL 394 CO 0.42 0.04 2.15 -0.29 -0.31 0.00 0.00 175.10 177.11 2iuu h ILE 395 N 3.23 0.99 -1.67 -0.62 2.10 -1.94 -3.38 117.51 116.21 2iuu h ILE 395 Ca -0.49 -0.01 0.25 0.00 1.08 0.00 0.00 64.86 65.70 2iuu h ILE 395 Cb 1.18 1.00 -0.15 0.00 -1.09 0.00 0.00 36.82 37.77 2iuu h ILE 395 CO 0.50 0.00 0.74 -0.94 -1.08 0.00 0.00 178.15 177.37 2iuu s SER 396 N -7.04 -0.14 0.02 2.19 1.04 -1.26 -4.97 113.70 103.54 2iuu s SER 396 Ca -0.05 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2iuu s SER 396 Cb 0.17 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2iuu s SER 396 CO 0.67 -0.39 -0.04 0.54 0.98 0.00 0.00 173.24 175.00 2iuu s VAL 397 N -2.61 0.21 -0.26 5.02 0.11 -1.26 -4.38 120.40 117.23 2iuu s VAL 397 Ca 0.11 -0.61 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2iuu s VAL 397 Cb 0.01 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2iuu s VAL 397 CO -0.04 -0.26 -0.01 -0.60 -3.33 0.00 0.00 175.10 170.87 2iuu s ARG 398 N -0.92 3.01 -0.41 1.54 3.52 -0.86 -4.91 118.95 119.92 2iuu s ARG 398 Ca -0.08 -0.88 -0.21 0.00 -0.13 0.00 0.00 55.73 54.42 2iuu s ARG 398 Cb -0.06 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 2iuu s ARG 398 CO -0.00 -0.39 0.69 0.08 -0.81 0.00 0.00 175.30 174.87 2iuu s VAL 399 N 1.41 4.79 -0.64 7.11 1.01 -1.26 -1.03 120.40 131.79 2iuu s VAL 399 Ca 0.02 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 2iuu s VAL 399 Cb -0.16 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.12 2iuu s VAL 399 CO -0.02 -0.53 0.80 -0.69 0.00 0.00 0.00 175.10 174.66 2iuu s VAL 400 N 2.94 4.72 0.65 2.92 1.01 0.11 -4.93 120.40 127.82 2iuu s VAL 400 Ca 0.26 -0.93 0.44 0.00 0.00 0.00 0.00 61.98 61.75 2iuu s VAL 400 Cb -0.14 -4.56 0.45 0.00 0.00 0.00 0.00 36.38 32.14 2iuu s VAL 400 CO 0.19 -1.23 2.36 -0.33 0.00 0.00 0.00 175.10 176.09 2iuu h GLU 401 N 9.21 0.00 -3.21 2.72 5.08 -1.95 -1.10 114.58 125.33 2iuu h GLU 401 Ca -0.25 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.86 2iuu h GLU 401 Cb 1.08 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.01 2iuu h GLU 401 CO 1.11 0.00 -0.59 0.54 -1.00 0.00 0.00 179.01 179.07 2iuu s VAL 402 N -4.14 -0.08 -0.32 3.13 0.11 -1.26 -4.82 120.40 113.01 2iuu s VAL 402 Ca -0.05 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2iuu s VAL 402 Cb 0.13 -0.26 0.08 0.00 -1.53 0.00 0.00 36.38 34.80 2iuu s VAL 402 CO 0.42 0.08 0.03 -0.63 -3.33 0.00 0.00 175.10 171.67 2iuu s ILE 403 N 1.36 2.58 -0.21 7.04 1.01 -1.25 -4.96 121.20 126.77 2iuu s ILE 403 Ca -0.07 -1.92 -0.37 0.00 0.00 0.00 0.00 60.65 58.29 2iuu s ILE 403 Cb -0.12 -2.70 -0.17 0.00 0.01 0.00 0.00 42.46 39.49 2iuu s ILE 403 CO -0.06 -0.37 1.12 -2.65 0.00 0.00 0.00 174.94 172.98 2iuu n PRO 404 N 4.43 0.00 0.00 2.79 -0.02 -1.26 -1.84 135.00 139.10 2iuu n PRO 404 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2iuu n PRO 404 Cb 0.42 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.30 1.67 3.94 -1.23 0.00 -1.26 -4.99 105.19 105.61 2iuu n GLY 405 Ca 0.21 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.76 0.00 1.61 1.02 -0.77 -5.00 119.74 119.37 2iuu s LYS 406 Ca 0.00 -0.27 0.19 0.00 0.02 0.00 0.00 55.97 55.91 2iuu s LYS 406 Cb 0.00 -2.35 0.50 0.00 -0.52 0.00 0.00 37.83 35.46 2iuu s LYS 406 CO 0.00 -0.71 1.42 0.25 -0.92 0.00 0.00 175.35 175.39 2iuu n THR 407 N -2.50 0.89 -2.75 2.17 -2.24 -1.26 -4.68 114.28 103.90 2iuu n THR 407 Ca 0.05 -0.94 -0.24 0.00 -2.27 0.00 0.00 64.05 60.64 2iuu n THR 407 Cb 0.58 0.60 0.02 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.07 3.88 0.25 4.28 -4.23 -1.26 -4.74 115.64 112.74 2iuu s THR 408 Ca 0.39 -0.30 0.11 0.00 -1.18 0.00 0.00 61.69 60.71 2iuu s THR 408 Cb 0.21 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 2iuu s THR 408 CO 0.28 -0.39 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.15 2iuu s VAL 409 N -2.72 2.92 0.07 2.29 1.01 -0.16 -3.80 120.40 120.00 2iuu s VAL 409 Ca 0.50 -2.09 0.10 0.00 0.00 0.00 0.00 61.98 60.49 2iuu s VAL 409 Cb -0.10 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2iuu s VAL 409 CO 0.41 -0.32 -0.26 -0.83 0.00 0.00 0.00 175.10 174.09 2iuu s GLY 410 N -3.39 1.44 -0.16 4.51 0.00 -0.42 -0.01 107.32 109.30 2iuu s GLY 410 Ca 0.29 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 2iuu s GLY 410 CO 0.16 -1.24 -0.04 -0.42 0.00 0.00 0.00 173.10 171.57 2iuu s ILE 411 N -0.88 0.97 -0.44 0.90 1.01 -0.62 0.06 121.20 122.19 2iuu s ILE 411 Ca 0.12 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 2iuu s ILE 411 Cb -0.10 -1.17 0.04 0.00 0.01 0.00 0.00 42.46 41.24 2iuu s ILE 411 CO 0.03 0.12 0.36 -1.61 0.00 0.00 0.00 174.94 173.84 2iuu s GLU 412 N 1.69 2.98 -0.13 2.79 2.02 -0.20 -0.80 118.70 127.06 2iuu s GLU 412 Ca 0.01 -1.15 -0.09 0.00 0.02 0.00 0.00 54.97 53.76 2iuu s GLU 412 Cb -0.15 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 2iuu s GLU 412 CO -0.07 -0.89 0.17 0.42 0.02 0.00 0.00 175.26 174.91 2iuu s ILE 413 N 1.71 5.42 0.20 -1.63 1.01 -0.62 -2.03 121.20 125.26 2iuu s ILE 413 Ca 0.05 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 2iuu s ILE 413 Cb -0.21 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2iuu s ILE 413 CO 0.09 0.55 1.43 -2.84 0.00 0.00 0.00 174.94 174.16 2iuu s PRO 414 N -0.54 4.29 0.48 2.79 0.02 -1.26 -0.99 135.00 139.79 2iuu s PRO 414 Ca 0.14 2.22 -0.22 0.00 0.02 0.00 0.00 61.00 63.16 2iuu s PRO 414 Cb -0.12 -3.16 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 2iuu s PRO 414 CO 0.03 -0.42 1.13 -0.80 -0.33 0.00 0.00 177.00 176.61 2iuu s ASN 415 N 0.60 6.15 0.24 2.53 0.02 -0.51 -4.89 114.94 119.08 2iuu s ASN 415 Ca 0.61 2.20 -0.06 0.00 -1.02 0.00 0.00 52.86 54.59 2iuu s ASN 415 Cb -0.40 -2.59 0.28 0.00 0.02 0.00 0.00 41.25 38.56 2iuu s ASN 415 CO 0.38 -0.93 1.88 -0.33 0.02 0.00 0.00 177.10 178.13 2iuu h GLU 416 N 1.85 1.09 -4.68 -0.60 5.08 -1.94 -3.35 114.58 112.03 2iuu h GLU 416 Ca -0.49 -0.07 -0.68 0.00 -1.00 0.00 0.00 59.36 57.12 2iuu h GLU 416 Cb 1.24 -0.25 -0.36 0.00 0.50 0.00 0.00 28.75 29.89 2iuu h GLU 416 CO 0.59 0.72 -0.68 -0.51 -1.00 0.00 0.00 179.01 178.13 2iuu s ASP 417 N -5.91 4.88 -0.13 1.42 1.01 -1.26 -5.07 116.67 111.60 2iuu s ASP 417 Ca -0.13 -1.80 -0.29 0.00 0.71 0.00 0.00 52.55 51.04 2iuu s ASP 417 Cb 0.18 -1.69 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 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 1.08 4.29 -0.04 8.23 3.52 -1.26 -4.94 118.95 129.84 2iuu s ARG 418 Ca 0.03 1.59 -0.18 0.00 -0.13 0.00 0.00 55.73 57.05 2iuu s ARG 418 Cb -0.20 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 2iuu s ARG 418 CO -0.05 -0.58 0.50 1.14 -0.81 0.00 0.00 175.30 175.50 2iuu s GLN 419 N 2.91 4.22 0.73 5.12 -2.07 -0.65 -5.02 119.66 124.89 2iuu s GLN 419 Ca 0.53 0.53 -0.13 0.00 -1.82 0.00 0.00 55.36 54.47 2iuu s GLN 419 Cb -0.21 -3.34 0.04 0.00 -1.09 0.00 0.00 33.01 28.40 2iuu s GLN 419 CO 0.16 0.39 1.12 1.41 -1.32 0.00 0.00 175.29 177.05 2iuu s MET 420 N -0.16 2.37 -0.24 9.60 -2.45 -1.26 -4.55 119.30 122.61 2iuu s MET 420 Ca 0.27 1.38 0.00 0.00 -1.25 0.00 0.00 55.69 56.09 2iuu s MET 420 Cb -0.17 -1.90 0.03 0.00 1.25 0.00 0.00 34.83 34.05 2iuu s MET 420 CO 0.13 -1.58 -0.10 0.08 1.05 0.00 0.00 175.02 174.60 2iuu s VAL 421 N -2.50 2.53 0.14 10.11 1.01 -1.26 -4.97 120.40 125.46 2iuu s VAL 421 Ca 0.66 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2iuu s VAL 421 Cb -0.21 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 2iuu s VAL 421 CO 0.48 0.21 0.66 -0.13 0.00 0.00 0.00 175.10 176.32 2iuu s ARG 422 N 1.26 4.28 0.21 2.72 1.81 -1.26 0.52 118.95 128.49 2iuu s ARG 422 Ca -0.01 0.85 -0.09 0.00 -1.72 0.00 0.00 55.73 54.76 2iuu s ARG 422 Cb -0.17 -3.12 0.30 0.00 -0.45 0.00 0.00 34.95 31.52 2iuu s ARG 422 CO -0.06 0.54 1.72 0.35 -0.68 0.00 0.00 175.30 177.17 2iuu h PHE 423 N 4.08 0.28 -0.78 -0.53 -0.00 -1.75 0.80 116.94 119.04 2iuu h PHE 423 Ca -0.48 0.03 0.14 0.00 -0.00 0.00 0.00 57.97 57.66 2iuu h PHE 423 Cb 1.20 -0.03 -0.05 0.00 -0.00 0.00 0.00 35.95 37.07 2iuu h PHE 423 CO 0.66 0.02 0.52 0.66 -0.00 0.00 0.00 178.31 180.16 2iuu h SER 424 N 0.32 0.46 0.52 0.41 4.64 -1.88 0.32 113.55 118.33 2iuu h SER 424 Ca 0.32 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2iuu h SER 424 Cb 0.45 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2iuu h SER 424 CO -0.37 0.24 0.00 -0.08 -0.87 0.00 0.00 176.83 175.75 2iuu h GLU 425 N 0.49 0.00 0.00 4.77 4.81 -1.15 -2.18 114.58 121.31 2iuu h GLU 425 Ca 0.38 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 59.22 2iuu h GLU 425 Cb 0.79 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 2iuu h GLU 425 CO -0.14 0.00 -2.38 0.28 -0.73 0.00 0.00 179.01 176.04 2iuu n VAL 426 N -2.43 1.37 0.31 0.32 0.31 0.10 -4.43 118.33 113.88 2iuu n VAL 426 Ca 0.01 -0.42 0.17 0.00 -0.01 0.00 0.00 64.34 64.08 2iuu n VAL 426 Cb 0.18 -1.63 0.76 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.52 0.00 -1.38 7.52 3.38 -1.27 -2.38 115.31 120.66 2iuu h LEU 427 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2iuu h LEU 427 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2iuu h LEU 427 CO -0.26 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.04 2iuu h SER 428 N 0.00 0.00 -4.10 -0.43 4.64 -1.60 -3.38 113.55 108.67 2iuu h SER 428 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2iuu h SER 428 Cb 0.33 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.61 2iuu h SER 428 CO 0.00 0.00 0.23 -1.54 -0.87 0.00 0.00 176.83 174.65 2iuu n SER 429 N -3.05 0.67 0.13 4.97 3.41 -0.90 -4.86 113.62 114.00 2iuu n SER 429 Ca 0.01 0.56 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 2iuu n SER 429 Cb 0.31 -1.47 0.17 0.00 -0.26 0.00 0.00 64.21 62.96 2iuu n SER 429 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2iuu h PRO 430 N -1.02 0.04 -0.64 4.33 0.13 -1.90 -2.39 132.00 130.56 2iuu h PRO 430 Ca -0.46 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2iuu h PRO 430 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2iuu h PRO 430 CO 0.45 0.63 0.39 0.93 -0.23 0.00 0.00 178.00 180.17 2iuu h GLU 431 N 0.03 0.74 -0.07 0.86 3.07 -1.94 0.14 114.58 117.41 2iuu h GLU 431 Ca -0.01 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.61 2iuu h GLU 431 Cb 1.07 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2iuu h GLU 431 CO 0.08 0.49 -0.72 -0.92 -1.40 0.00 0.00 179.01 176.54 2iuu h TYR 432 N 0.77 0.86 -0.17 4.33 3.20 -1.84 -2.66 116.97 121.46 2iuu h TYR 432 Ca 0.26 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2iuu h TYR 432 Cb 0.03 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2iuu h TYR 432 CO -0.05 1.24 0.11 0.22 -1.64 0.00 0.00 178.16 178.03 2iuu h ASP 433 N 0.24 0.19 -0.09 -2.11 1.82 -1.12 -2.74 116.42 112.61 2iuu h ASP 433 Ca -0.07 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2iuu h ASP 433 Cb 1.38 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2iuu h ASP 433 CO 0.15 0.14 0.00 -0.62 -1.61 0.00 0.00 179.24 177.30 2iuu n GLU 434 N -4.97 1.48 -1.90 0.28 1.02 0.46 -4.91 120.64 112.10 2iuu n GLU 434 Ca -0.04 -0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 55.97 2iuu n GLU 434 Cb 0.03 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.89 2.94 -0.97 -0.32 2.46 -1.00 -4.91 115.29 111.61 2iuu s HIS 435 Ca 0.33 0.53 0.26 0.00 0.47 0.00 0.00 55.06 56.65 2iuu s HIS 435 Cb 0.17 -3.97 0.72 0.00 -0.13 0.00 0.00 32.58 29.37 2iuu s HIS 435 CO 0.27 -3.64 1.57 1.17 -2.47 0.00 0.00 174.74 171.63 2iuu n LYS 436 N 4.22 0.03 -2.25 2.88 4.81 -1.26 -4.94 118.16 121.64 2iuu n LYS 436 Ca 0.14 0.01 -0.33 0.00 -0.87 0.00 0.00 58.31 57.27 2iuu n LYS 436 Cb 0.38 -1.52 -0.01 0.00 0.02 0.00 0.00 35.03 33.90 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 -3.13 6.10 0.32 3.14 0.15 -1.26 -4.96 113.70 114.06 2iuu s SER 437 Ca 0.12 1.80 0.24 0.00 0.70 0.00 0.00 55.95 58.80 2iuu s SER 437 Cb 0.18 -2.54 0.38 0.00 -1.71 0.00 0.00 66.02 62.33 2iuu s SER 437 CO 0.65 -0.95 1.52 0.71 1.20 0.00 0.00 173.24 176.37 2iuu h THR 438 N 0.85 0.00 -2.11 6.45 1.35 -1.92 -3.37 112.91 114.16 2iuu h THR 438 Ca -0.48 -0.84 -0.55 0.00 -0.55 0.00 0.00 66.41 64.00 2iuu h THR 438 Cb 1.21 1.72 -0.41 0.00 -1.73 0.00 0.00 68.15 68.95 2iuu h THR 438 CO 0.59 0.00 -0.93 1.33 -0.25 0.00 0.00 175.52 176.25 2iuu n VAL 439 N -2.76 1.00 -2.65 6.82 0.24 -1.26 -4.54 118.33 115.18 2iuu n VAL 439 Ca 0.04 -4.84 -0.32 0.00 -2.04 0.00 0.00 64.34 57.17 2iuu n VAL 439 Cb 0.50 -1.21 -0.05 0.00 -1.47 0.00 0.00 33.84 31.62 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 -2.47 4.05 -0.23 7.34 0.04 -1.26 -2.04 135.00 140.44 2iuu s PRO 440 Ca 0.41 0.97 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 2iuu s PRO 440 Cb 0.26 -2.19 0.06 0.00 0.04 0.00 0.00 34.50 32.67 2iuu s PRO 440 CO -0.09 -0.13 -0.03 -0.51 0.04 0.00 0.00 177.00 176.28 2iuu s LEU 441 N -3.63 2.23 -0.51 -3.56 1.43 0.46 -3.94 118.68 111.16 2iuu s LEU 441 Ca 0.59 -1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 2iuu s LEU 441 Cb -0.10 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.13 2iuu s LEU 441 CO 0.23 -0.26 0.85 0.00 0.23 0.00 0.00 176.35 177.40 2iuu s ALA 442 N 1.51 3.24 -0.05 4.21 0.00 -1.26 -0.50 121.76 128.91 2iuu s ALA 442 Ca -0.04 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 2iuu s ALA 442 Cb -0.18 -3.59 -0.25 0.00 0.00 0.00 0.00 23.12 19.09 2iuu s ALA 442 CO -0.07 -2.18 0.98 -0.07 0.00 0.00 0.00 175.76 174.43 2iuu h LEU 443 N 10.51 0.28 0.00 0.00 3.38 -1.39 -3.44 115.31 124.66 2iuu h LEU 443 Ca -0.26 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 56.88 2iuu h LEU 443 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2iuu h LEU 443 CO 1.03 1.08 0.00 0.61 0.09 0.00 0.00 178.44 181.25 2iuu n GLY 444 N 1.23 -0.47 3.46 0.83 0.00 -1.24 -2.30 105.19 106.69 2iuu n GLY 444 Ca -0.11 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 2.60 1.13 1.61 3.76 -0.86 -0.58 115.29 118.95 2iuu s HIS 445 Ca 0.00 -0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 54.49 2iuu s HIS 445 Cb 0.00 -1.52 0.27 0.00 1.11 0.00 0.00 32.58 32.43 2iuu s HIS 445 CO 0.00 0.22 1.22 0.16 -0.85 0.00 0.00 174.74 175.49 2iuu s ASP 446 N -1.17 1.63 0.35 1.40 1.47 0.16 -0.31 116.67 120.21 2iuu s ASP 446 Ca 0.14 0.37 0.22 0.00 1.18 0.00 0.00 52.55 54.45 2iuu s ASP 446 Cb -0.11 -0.43 1.21 0.00 -0.34 0.00 0.00 42.92 43.26 2iuu s ASP 446 CO 0.04 -3.66 1.67 0.16 0.68 0.00 0.00 175.17 174.06 2iuu h ILE 447 N -2.27 0.00 -0.42 2.11 -0.00 -1.90 0.13 117.51 115.16 2iuu h ILE 447 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.43 2iuu h ILE 447 Cb 1.25 0.50 0.00 0.00 -0.00 0.00 0.00 36.82 38.57 2iuu h ILE 447 CO 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 179.07 2iuu n GLY 448 N -1.28 1.80 1.32 0.16 0.00 -1.26 -3.92 105.19 102.01 2iuu n GLY 448 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.48 1.19 3.76 -0.02 0.00 0.03 -4.85 105.19 106.78 2iuu n GLY 449 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.56 4.66 0.19 1.61 0.52 -1.26 -4.65 118.95 119.46 2iuu s ARG 450 Ca 0.00 1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 56.51 2iuu s ARG 450 Cb 0.00 -3.11 -0.08 0.00 0.52 0.00 0.00 34.95 32.28 2iuu s ARG 450 CO 0.00 0.30 1.25 -1.25 0.02 0.00 0.00 175.30 175.62 2iuu s PRO 451 N -1.54 4.44 -0.39 3.54 0.04 -1.26 0.39 135.00 140.22 2iuu s PRO 451 Ca 0.45 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 2iuu s PRO 451 Cb -0.27 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.11 2iuu s PRO 451 CO 0.34 -0.18 0.20 0.42 0.04 0.00 0.00 177.00 177.82 2iuu s ILE 452 N 0.06 4.05 -0.11 0.56 -1.09 0.25 -4.88 121.20 120.03 2iuu s ILE 452 Ca 0.55 -1.31 -0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2iuu s ILE 452 Cb -0.34 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2iuu s ILE 452 CO 0.37 -0.39 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.97 2iuu s ILE 453 N 1.41 3.38 0.40 2.92 1.09 -1.26 -0.86 121.20 128.28 2iuu s ILE 453 Ca 0.02 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.04 2iuu s ILE 453 Cb -0.21 -2.42 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 2iuu s ILE 453 CO 0.02 0.54 0.07 0.42 -0.10 0.00 0.00 174.94 175.89 2iuu s THR 454 N -0.01 1.06 -0.30 2.92 -4.23 0.35 -4.95 115.64 110.48 2iuu s THR 454 Ca -0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 2iuu s THR 454 Cb -0.14 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.24 2iuu s THR 454 CO 0.03 0.00 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.49 2iuu s ASP 455 N -3.63 4.44 0.26 3.99 3.68 -1.26 -0.41 116.67 123.75 2iuu s ASP 455 Ca 0.26 -1.72 -0.01 0.00 2.13 0.00 0.00 52.55 53.21 2iuu s ASP 455 Cb 0.05 -1.45 0.55 0.00 -1.45 0.00 0.00 42.92 40.62 2iuu s ASP 455 CO 0.13 -0.30 1.74 0.25 0.13 0.00 0.00 175.17 177.12 2iuu h LEU 456 N 7.77 0.41 -2.48 -1.34 6.46 -1.75 0.32 115.31 124.70 2iuu h LEU 456 Ca -0.12 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2iuu h LEU 456 Cb 1.03 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2iuu h LEU 456 CO 0.48 0.14 0.00 0.00 -0.62 0.00 0.00 178.44 178.44 2iuu h ALA 457 N 1.58 1.00 -0.00 1.25 0.00 -1.85 -0.93 119.26 120.31 2iuu h ALA 457 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2iuu h ALA 457 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2iuu h ALA 457 CO -0.41 -0.00 -0.91 1.63 0.00 0.00 0.00 179.25 179.56 2iuu n LYS 458 N -2.81 0.24 -0.00 0.00 4.76 0.11 -4.62 118.16 115.84 2iuu n LYS 458 Ca -0.02 -0.17 -0.12 0.00 -2.87 0.00 0.00 58.31 55.13 2iuu n LYS 458 Cb 0.06 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.69 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 0.41 0.09 -0.51 1.97 2.86 -0.83 -3.47 114.93 115.46 2iuu h MET 459 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2iuu h MET 459 Cb 0.54 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2iuu h MET 459 CO 0.00 0.23 0.00 -0.35 1.06 0.00 0.00 176.91 177.85 2iuu n PRO 460 N -4.95 3.11 -3.96 -0.22 -0.04 -1.26 -4.24 135.00 123.44 2iuu n PRO 460 Ca -0.06 -2.53 -0.09 0.00 -0.04 0.00 0.00 63.50 60.77 2iuu n PRO 460 Cb 0.11 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.49 0.23 -0.03 0.54 3.76 -1.26 -4.17 115.29 112.88 2iuu s HIS 461 Ca 0.39 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 2iuu s HIS 461 Cb 0.24 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.76 2iuu s HIS 461 CO 0.21 -0.29 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.55 2iuu s LEU 462 N -1.82 1.79 -0.17 0.89 2.96 0.13 -4.02 118.68 118.44 2iuu s LEU 462 Ca -0.10 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2iuu s LEU 462 Cb -0.05 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 2iuu s LEU 462 CO -0.03 0.07 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.28 2iuu s LEU 463 N 0.20 3.17 -0.08 -0.68 1.43 -1.04 -0.27 118.68 121.41 2iuu s LEU 463 Ca -0.04 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2iuu s LEU 463 Cb -0.09 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2iuu s LEU 463 CO 0.01 0.13 -0.15 -0.69 0.23 0.00 0.00 176.35 175.88 2iuu s VAL 464 N 0.58 1.38 0.03 -1.59 1.01 0.24 -0.81 120.40 121.24 2iuu s VAL 464 Ca -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2iuu s VAL 464 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2iuu s VAL 464 CO 0.03 0.41 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 2iuu s ALA 465 N 0.71 0.65 0.00 5.51 0.00 -0.90 -0.24 121.76 127.49 2iuu s ALA 465 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2iuu s ALA 465 Cb -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2iuu s ALA 465 CO 0.03 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2iuu n GLY 466 N 2.01 0.93 3.77 0.00 0.00 -0.88 -0.41 105.19 110.61 2iuu n GLY 466 Ca -0.19 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2iuu n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2iuu s THR 467 N -0.13 2.99 0.23 2.61 -4.23 -0.55 -4.12 115.64 112.44 2iuu s THR 467 Ca 0.00 0.32 -0.31 0.00 -1.18 0.00 0.00 61.69 60.52 2iuu s THR 467 Cb 0.00 -2.94 -0.14 0.00 1.34 0.00 0.00 72.50 70.76 2iuu s THR 467 CO 0.00 -0.42 1.41 0.35 -0.54 0.00 0.00 174.62 175.42 2iuu n THR 468 N -3.60 0.87 -0.05 3.99 -2.24 -1.26 -1.36 114.28 110.64 2iuu n THR 468 Ca 0.07 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2iuu n THR 468 Cb 0.55 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2iuu n THR 468 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iuu n GLY 469 N 2.24 0.49 0.21 3.38 0.00 -1.26 -4.93 105.19 105.31 2iuu n GLY 469 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.50 -3.24 113.55 115.06 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 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 2iuu n GLY 471 N 1.01 1.39 0.15 -0.77 0.00 -1.26 -0.52 105.19 105.19 2iuu n GLY 471 Ca 0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.42 -0.46 1.61 3.64 -1.89 -2.33 116.57 117.56 2iuu h LYS 472 Ca 0.00 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2iuu h LYS 472 Cb 0.08 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2iuu h LYS 472 CO 0.00 0.65 0.26 0.77 -2.27 0.00 0.00 179.45 178.87 2iuu h SER 473 N 0.16 0.42 -0.43 4.20 0.02 -1.96 -0.52 113.55 115.44 2iuu h SER 473 Ca 0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2iuu h SER 473 Cb 0.49 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2iuu h SER 473 CO 0.02 0.30 0.26 0.58 -1.14 0.00 0.00 176.83 176.85 2iuu h VAL 474 N 0.53 1.14 0.00 2.27 2.07 -1.92 -1.27 116.25 119.07 2iuu h VAL 474 Ca 0.19 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2iuu h VAL 474 Cb 0.03 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2iuu h VAL 474 CO -0.09 0.14 -0.04 1.23 0.02 0.00 0.00 177.57 178.82 2iuu h GLY 475 N 0.57 0.00 0.99 2.17 0.00 -0.83 0.32 103.07 106.29 2iuu h GLY 475 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 2iuu h GLY 475 CO -0.03 0.00 -0.70 -2.08 0.00 0.00 0.00 176.54 173.73 2iuu h VAL 476 N 0.00 1.34 -0.86 4.60 2.07 -0.60 -1.67 116.25 121.14 2iuu h VAL 476 Ca -0.00 -2.01 0.02 0.00 0.82 0.00 0.00 66.70 65.54 2iuu h VAL 476 Cb 0.08 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 2iuu h VAL 476 CO 0.01 0.61 0.56 0.78 0.02 0.00 0.00 177.57 179.55 2iuu h ASN 477 N 0.21 0.95 -0.99 0.57 2.35 0.06 0.14 115.58 118.87 2iuu h ASN 477 Ca -0.07 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2iuu h ASN 477 Cb 1.36 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.46 2iuu h ASN 477 CO 0.14 0.66 0.66 0.00 -1.65 0.00 0.00 177.43 177.24 2iuu h ALA 478 N 1.34 1.30 0.07 -0.83 0.00 -0.32 0.12 119.26 120.94 2iuu h ALA 478 Ca 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2iuu h ALA 478 Cb -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.35 2iuu h ALA 478 CO -0.10 0.64 -0.03 0.52 0.00 0.00 0.00 179.25 180.28 2iuu h MET 479 N 1.33 -0.09 -0.37 0.00 2.86 -0.06 -1.30 114.93 117.30 2iuu h MET 479 Ca 0.37 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2iuu h MET 479 Cb -0.13 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2iuu h MET 479 CO -0.09 0.08 0.22 -0.07 1.06 0.00 0.00 176.91 178.11 2iuu h LEU 480 N -0.24 0.45 -1.74 1.22 3.38 -0.36 -2.13 115.31 115.90 2iuu h LEU 480 Ca -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2iuu h LEU 480 Cb 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2iuu h LEU 480 CO 0.02 0.38 -0.09 -0.07 0.09 0.00 0.00 178.44 178.77 2iuu h LEU 481 N 0.48 0.05 -1.12 1.67 4.07 -0.72 -0.92 115.31 118.82 2iuu h LEU 481 Ca 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2iuu h LEU 481 Cb 0.02 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 2iuu h LEU 481 CO -0.02 0.15 0.55 0.28 -1.08 0.00 0.00 178.44 178.31 2iuu h SER 482 N 0.06 1.00 0.30 -0.43 0.02 -0.54 -0.94 113.55 113.02 2iuu h SER 482 Ca 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2iuu h SER 482 Cb 0.19 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2iuu h SER 482 CO 0.01 0.74 -0.14 0.40 -1.14 0.00 0.00 176.83 176.70 2iuu h ILE 483 N 1.17 0.37 -0.36 3.27 1.08 -1.12 -3.27 117.51 118.64 2iuu h ILE 483 Ca 0.31 -0.82 0.11 0.00 -0.39 0.00 0.00 64.86 64.07 2iuu h ILE 483 Cb -0.10 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2iuu h ILE 483 CO -0.06 0.09 0.47 -0.07 -0.69 0.00 0.00 178.15 177.89 2iuu h LEU 484 N -1.01 0.00 -0.73 1.44 3.38 -1.07 0.13 115.31 117.45 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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2iuu h LEU 484 CO 0.07 0.00 -0.11 0.49 0.09 0.00 0.00 178.44 178.97 2iuu n PHE 485 N -3.53 0.00 0.00 1.13 0.99 -0.37 -4.30 117.46 111.38 2iuu n PHE 485 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 2iuu n PHE 485 Cb 0.62 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 39.05 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 -0.22 2.70 -4.30 -1.08 4.81 0.24 -4.95 118.16 115.36 2iuu n LYS 486 Ca 0.16 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.37 2iuu n LYS 486 Cb 0.35 -0.77 -0.12 0.00 0.02 0.00 0.00 35.03 34.51 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 -1.18 2.58 0.21 3.14 0.01 0.07 -5.03 113.70 113.50 2iuu s SER 487 Ca 0.00 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.55 2iuu s SER 487 Cb 0.00 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2iuu s SER 487 CO 0.00 0.03 0.35 0.42 0.41 0.00 0.00 173.24 174.45 2iuu s THR 488 N -1.43 5.27 0.62 1.44 -4.23 -1.26 -4.67 115.64 111.37 2iuu s THR 488 Ca 0.09 -0.78 0.25 0.00 -1.18 0.00 0.00 61.69 60.08 2iuu s THR 488 Cb -0.09 -3.80 0.33 0.00 1.34 0.00 0.00 72.50 70.28 2iuu s THR 488 CO 0.05 -0.24 1.60 -0.65 -0.54 0.00 0.00 174.62 174.84 2iuu h PRO 489 N 1.59 0.00 -0.00 3.99 0.11 -1.89 0.70 132.00 136.50 2iuu h PRO 489 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2iuu h PRO 489 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2iuu h PRO 489 CO 0.65 0.00 -0.25 -1.13 -0.21 0.00 0.00 178.00 177.05 2iuu n SER 490 N -3.29 0.66 -0.04 -2.05 3.41 -1.26 -3.86 113.62 107.18 2iuu n SER 490 Ca 0.11 -0.53 -0.03 0.00 -0.26 0.00 0.00 58.87 58.16 2iuu n SER 490 Cb 0.96 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.88 2iuu n SER 490 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iuu n GLU 491 N -1.01 1.86 -3.70 4.33 1.02 0.24 -3.95 120.64 119.43 2iuu n GLU 491 Ca 0.11 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 2iuu n GLU 491 Cb 0.32 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.37 -0.89 0.19 0.62 0.00 -0.64 -0.87 121.76 117.80 2iuu s ALA 492 Ca -0.05 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.35 2iuu s ALA 492 Cb 0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2iuu s ALA 492 CO 0.45 -0.32 -0.18 1.03 0.00 0.00 0.00 175.76 176.75 2iuu s ARG 493 N 1.54 1.76 0.03 0.00 1.81 0.15 -4.20 118.95 120.04 2iuu s ARG 493 Ca -0.08 -1.43 0.06 0.00 -1.72 0.00 0.00 55.73 52.56 2iuu s ARG 493 Cb -0.10 -1.98 -0.02 0.00 -0.45 0.00 0.00 34.95 32.41 2iuu s ARG 493 CO -0.11 0.41 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.24 2iuu s LEU 494 N -2.79 2.13 -0.19 2.53 1.43 0.33 -0.51 118.68 121.61 2iuu s LEU 494 Ca 0.23 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2iuu s LEU 494 Cb -0.08 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.38 2iuu s LEU 494 CO 0.12 0.13 -0.12 -0.63 0.23 0.00 0.00 176.35 176.08 2iuu s ILE 495 N -0.70 1.67 -0.26 -0.59 1.01 0.05 -0.75 121.20 121.62 2iuu s ILE 495 Ca 0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2iuu s ILE 495 Cb -0.08 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2iuu s ILE 495 CO 0.01 0.24 -0.00 -0.04 0.00 0.00 0.00 174.94 175.15 2iuu s MET 496 N 1.40 3.11 -0.28 2.79 -1.94 -1.26 -1.38 119.30 121.74 2iuu s MET 496 Ca 0.00 -0.82 -0.09 0.00 -1.71 0.00 0.00 55.69 53.08 2iuu s MET 496 Cb -0.15 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 2iuu s MET 496 CO -0.09 -0.35 0.12 0.42 -0.01 0.00 0.00 175.02 175.11 2iuu s ILE 497 N 1.44 4.53 -0.65 2.53 1.01 -0.27 0.45 121.20 130.24 2iuu s ILE 497 Ca 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.46 2iuu s ILE 497 Cb -0.16 -3.22 0.16 0.00 0.01 0.00 0.00 42.46 39.26 2iuu s ILE 497 CO -0.01 0.20 0.45 -0.62 0.00 0.00 0.00 174.94 174.95 2iuu s ASP 498 N 1.62 4.44 0.55 3.58 3.68 0.17 -1.40 116.67 129.31 2iuu s ASP 498 Ca 0.05 -3.66 0.21 0.00 2.13 0.00 0.00 52.55 51.29 2iuu s ASP 498 Cb -0.16 -1.51 1.15 0.00 -1.45 0.00 0.00 42.92 40.94 2iuu s ASP 498 CO 0.06 -0.11 1.61 1.55 0.13 0.00 0.00 175.17 178.40 2iuu h PRO 499 N 5.58 0.00 -4.83 4.34 0.13 -1.85 -3.26 132.00 132.11 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 -0.35 0.00 0.13 0.00 0.00 31.00 31.57 2iuu h PRO 499 CO 0.68 0.00 -0.76 0.15 -0.23 0.00 0.00 178.00 177.84 2iuu s LYS 500 N -3.82 2.36 0.00 0.86 1.02 -1.26 -4.97 119.74 113.93 2iuu s LYS 500 Ca -0.02 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.68 2iuu s LYS 500 Cb 0.06 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2iuu s LYS 500 CO 0.19 -0.58 0.00 -1.33 -0.92 0.00 0.00 175.35 172.72 2iuu n MET 501 N 4.52 0.00 0.00 1.68 2.81 -1.23 -3.97 117.12 120.94 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 0.43 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 0.98 0.00 -0.37 4.03 0.00 -1.26 -4.71 117.00 115.66 2iuu n LEU 502 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.94 2iuu n LEU 502 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 2iuu n LEU 502 CO 0.00 0.00 0.46 -0.62 0.00 0.00 0.00 177.39 177.23 2iuu n GLU 503 N 0.00 -0.33 0.02 1.96 -0.58 -1.25 -2.55 120.64 117.90 2iuu n GLU 503 Ca 0.00 1.36 0.13 0.00 -0.42 0.00 0.00 57.16 58.23 2iuu n GLU 503 Cb 0.00 -2.01 0.43 0.00 -0.57 0.00 0.00 31.44 29.30 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 -5.19 0.35 0.00 -4.62 4.77 -1.26 -3.89 117.00 107.16 2iuu n LEU 504 Ca 0.04 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.39 2iuu n LEU 504 Cb 0.27 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2iuu n LEU 504 CO -0.14 -0.00 0.56 -1.20 -1.33 0.00 0.00 177.39 175.28 2iuu n SER 505 N -1.70 0.00 0.17 -1.43 7.64 -1.06 -1.39 113.62 115.86 2iuu n SER 505 Ca 0.06 0.50 0.13 0.00 1.01 0.00 0.00 58.87 60.57 2iuu n SER 505 Cb 0.37 -0.50 0.38 0.00 -1.01 0.00 0.00 64.21 63.45 2iuu n SER 505 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2iuu h ILE 506 N 0.00 0.00 -0.15 0.44 -0.00 -1.75 -3.13 117.51 112.91 2iuu h ILE 506 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 64.86 64.25 2iuu h ILE 506 Cb 0.07 1.57 0.00 0.00 -0.00 0.00 0.00 36.82 38.46 2iuu h ILE 506 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 176.93 2iuu n TYR 507 N -2.63 0.19 -1.60 2.19 4.02 -0.48 -4.96 117.16 113.88 2iuu n TYR 507 Ca 0.04 -0.09 -0.46 0.00 -0.01 0.00 0.00 57.90 57.38 2iuu n TYR 507 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.71 2iuu n TYR 507 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2iuu n GLU 508 N 0.62 1.39 0.00 -0.72 4.07 -1.19 -2.59 120.64 122.22 2iuu n GLU 508 Ca 0.17 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 2iuu n GLU 508 Cb 0.42 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.85 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 1.61 3.19 3.74 8.31 0.00 -1.26 -5.04 105.19 115.74 2iuu n GLY 509 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2iuu n GLY 509 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2iuu n ILE 510 N -2.00 2.78 0.33 -0.61 -5.35 -1.07 -3.71 119.36 109.74 2iuu n ILE 510 Ca 0.00 -0.50 0.21 0.00 -0.27 0.00 0.00 62.75 62.19 2iuu n ILE 510 Cb 0.00 -1.72 1.11 0.00 -1.74 0.00 0.00 39.64 37.29 2iuu n ILE 510 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2iuu h PRO 511 N 2.14 0.00 0.00 6.28 0.13 -1.77 -2.72 132.00 136.06 2iuu h PRO 511 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2iuu h PRO 511 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2iuu h PRO 511 CO 0.60 0.00 -0.20 0.45 -0.23 0.00 0.00 178.00 178.62 2iuu h HIS 512 N 0.00 0.00 -2.73 1.56 3.86 -1.88 -3.37 115.15 112.59 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 0.18 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.68 2iuu h HIS 512 CO 0.00 0.20 0.96 -0.51 0.86 0.00 0.00 177.93 179.44 2iuu s LEU 513 N -6.67 4.37 0.47 2.43 1.43 -1.03 -0.52 118.68 119.17 2iuu s LEU 513 Ca 0.01 2.58 0.26 0.00 -1.03 0.00 0.00 54.13 55.95 2iuu s LEU 513 Cb 0.10 -3.58 0.63 0.00 0.03 0.00 0.00 46.19 43.37 2iuu s LEU 513 CO 0.63 -0.88 1.72 -0.07 0.23 0.00 0.00 176.35 177.98 2iuu h LEU 514 N 7.78 0.00 -7.99 1.79 3.38 -1.23 -3.40 115.31 115.64 2iuu h LEU 514 Ca -0.43 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.59 2iuu h LEU 514 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2iuu h LEU 514 CO 0.93 0.00 0.26 0.00 0.09 0.00 0.00 178.44 179.71 2iuu s PRO 516 N -3.34 0.88 -0.01 0.00 0.02 -1.26 -4.82 135.00 126.48 2iuu s PRO 516 Ca 0.13 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 2iuu s PRO 516 Cb -0.06 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.65 2iuu s PRO 516 CO 0.08 -2.60 1.93 0.08 -0.33 0.00 0.00 177.00 176.16 2iuu s VAL 517 N -2.72 3.13 -0.14 3.83 1.01 -1.26 -4.72 120.40 119.53 2iuu s VAL 517 Ca 0.65 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 2iuu s VAL 517 Cb -0.21 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2iuu s VAL 517 CO 0.59 -0.02 1.51 -0.69 0.00 0.00 0.00 175.10 176.49 2iuu s VAL 518 N 4.72 3.85 -0.14 2.92 1.01 0.17 -4.87 120.40 128.06 2iuu s VAL 518 Ca 0.86 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.90 2iuu s VAL 518 Cb -0.40 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 2iuu s VAL 518 CO 0.39 -0.16 -0.07 0.41 0.00 0.00 0.00 175.10 175.67 2iuu n THR 519 N 5.72 0.87 -2.68 3.92 -1.04 -1.26 -0.66 114.28 119.15 2iuu n THR 519 Ca 0.16 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.05 61.34 2iuu n THR 519 Cb 0.44 -0.90 -0.02 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 -5.12 7.14 0.38 8.00 2.15 -1.26 -4.72 116.67 123.24 2iuu s ASP 520 Ca -0.15 1.41 0.08 0.00 0.43 0.00 0.00 52.55 54.32 2iuu s ASP 520 Cb 0.05 -2.54 0.76 0.00 -0.30 0.00 0.00 42.92 40.89 2iuu s ASP 520 CO 0.42 -0.58 1.92 0.24 -0.17 0.00 0.00 175.17 176.99 2iuu h MET 521 N 7.34 0.31 -0.77 4.34 2.86 -1.96 -1.22 114.93 125.83 2iuu h MET 521 Ca -0.23 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 2iuu h MET 521 Cb 1.09 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 2iuu h MET 521 CO 0.93 0.41 0.43 0.87 1.06 0.00 0.00 176.91 180.60 2iuu h LYS 522 N 0.30 1.07 -0.70 1.72 1.79 -1.97 -0.62 116.57 118.17 2iuu h LYS 522 Ca 0.06 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 2iuu h LYS 522 Cb 0.33 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 2iuu h LYS 522 CO 0.02 0.79 0.23 0.93 -1.08 0.00 0.00 179.45 180.33 2iuu h GLU 523 N 1.07 1.07 -0.94 3.15 5.08 -1.67 -2.23 114.58 120.11 2iuu h GLU 523 Ca 0.27 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2iuu h GLU 523 Cb 0.03 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 2iuu h GLU 523 CO -0.04 0.92 0.60 0.00 -1.00 0.00 0.00 179.01 179.49 2iuu h ALA 524 N 1.10 1.31 -0.87 3.43 0.00 -0.44 0.64 119.26 124.43 2iuu h ALA 524 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2iuu h ALA 524 Cb 0.29 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2iuu h ALA 524 CO -0.01 0.37 0.57 0.00 0.00 0.00 0.00 179.25 180.18 2iuu h ALA 525 N 1.44 1.13 -0.44 0.00 0.00 -0.55 -1.29 119.26 119.54 2iuu h ALA 525 Ca 0.41 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 2iuu h ALA 525 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2iuu h ALA 525 CO -0.18 0.46 -0.15 -0.91 0.00 0.00 0.00 179.25 178.48 2iuu h ASN 526 N 1.14 0.83 -0.95 0.00 2.35 -0.73 -0.52 115.58 117.70 2iuu h ASN 526 Ca 0.33 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2iuu h ASN 526 Cb -0.07 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.03 2iuu h ASN 526 CO -0.09 0.98 0.63 0.00 -1.65 0.00 0.00 177.43 177.30 2iuu h ALA 527 N 1.09 1.23 -0.46 -0.83 0.00 -0.11 0.62 119.26 120.80 2iuu h ALA 527 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2iuu h ALA 527 Cb 0.66 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2iuu h ALA 527 CO 0.05 0.55 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 2iuu h LEU 528 N 1.25 0.81 -0.70 0.00 3.38 -0.81 -0.57 115.31 118.68 2iuu h LEU 528 Ca 0.36 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2iuu h LEU 528 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2iuu h LEU 528 CO -0.10 0.93 0.35 0.03 0.09 0.00 0.00 178.44 179.74 2iuu h ARG 529 N 0.67 0.99 -0.63 1.13 3.08 -0.09 -1.41 114.38 118.12 2iuu h ARG 529 Ca 0.13 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2iuu h ARG 529 Cb 0.52 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2iuu h ARG 529 CO 0.03 0.77 0.37 2.35 -1.07 0.00 0.00 179.97 182.41 2iuu h TRP 530 N 0.97 0.68 -0.89 3.04 7.01 0.51 -1.40 115.95 125.87 2iuu h TRP 530 Ca 0.24 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.26 2iuu h TRP 530 Cb 0.09 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2iuu h TRP 530 CO 0.00 0.36 0.56 0.77 -2.79 0.00 0.00 178.44 177.34 2iuu h SER 531 N 0.70 1.05 -0.60 2.65 0.02 -0.36 0.27 113.55 117.27 2iuu h SER 531 Ca 0.27 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2iuu h SER 531 Cb 0.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2iuu h SER 531 CO -0.14 0.79 0.22 0.58 -1.14 0.00 0.00 176.83 177.13 2iuu h VAL 532 N 1.21 1.24 0.36 2.27 2.07 -0.54 -0.54 116.25 122.32 2iuu h VAL 532 Ca 0.32 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2iuu h VAL 532 Cb -0.09 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2iuu h VAL 532 CO -0.06 0.29 -0.17 0.00 0.02 0.00 0.00 177.57 177.65 2iuu h ALA 533 N 1.08 -0.48 -0.72 1.67 0.00 -0.39 0.11 119.26 120.52 2iuu h ALA 533 Ca 0.20 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.11 2iuu h ALA 533 Cb 0.24 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2iuu h ALA 533 CO -0.01 -0.73 0.48 1.49 0.00 0.00 0.00 179.25 180.48 2iuu h GLU 534 N -0.56 0.41 -0.17 0.00 4.57 -0.38 0.13 114.58 118.58 2iuu h GLU 534 Ca -0.05 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2iuu h GLU 534 Cb 0.42 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2iuu h GLU 534 CO 0.08 0.27 -0.06 1.98 -1.18 0.00 0.00 179.01 180.10 2iuu h MET 535 N 0.42 0.33 -0.64 1.92 4.05 -0.50 -1.78 114.93 118.73 2iuu h MET 535 Ca 0.35 -0.14 -0.04 0.00 -0.28 0.00 0.00 59.70 59.60 2iuu h MET 535 Cb 0.77 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 2iuu h MET 535 CO -0.11 0.62 0.25 0.93 0.23 0.00 0.00 176.91 178.84 2iuu h GLU 536 N 0.03 0.93 -0.44 0.39 4.39 0.91 -2.00 114.58 118.79 2iuu h GLU 536 Ca 0.04 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2iuu h GLU 536 Cb 0.51 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2iuu h GLU 536 CO 0.02 0.77 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.52 2iuu h ARG 537 N 0.92 0.80 -0.52 2.33 2.43 -0.75 -1.81 114.38 117.78 2iuu h ARG 537 Ca 0.22 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2iuu h ARG 537 Cb 0.18 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2iuu h ARG 537 CO -0.02 0.88 0.21 0.00 -1.51 0.00 0.00 179.97 179.53 2iuu h ARG 538 N 0.64 0.78 -0.59 0.20 3.08 -1.02 0.42 114.38 117.90 2iuu h ARG 538 Ca 0.12 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2iuu h ARG 538 Cb 0.53 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2iuu h ARG 538 CO 0.03 0.68 0.35 1.88 -1.07 0.00 0.00 179.97 181.84 2iuu h TYR 539 N 0.71 0.77 -0.42 3.04 -1.99 -1.27 0.25 116.97 118.05 2iuu h TYR 539 Ca 0.18 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.92 2iuu h TYR 539 Cb 0.19 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 2iuu h TYR 539 CO 0.00 0.53 0.24 -0.09 -0.00 0.00 0.00 178.16 178.85 2iuu h ARG 540 N 0.79 0.48 0.69 4.88 2.43 -0.94 -0.32 114.38 122.39 2iuu h ARG 540 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2iuu h ARG 540 Cb -0.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2iuu h ARG 540 CO -0.04 0.32 -0.45 1.25 -1.51 0.00 0.00 179.97 179.54 2iuu h LEU 541 N 0.49 -1.16 -1.88 3.80 6.46 -0.21 -2.49 115.31 120.33 2iuu h LEU 541 Ca 0.17 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.18 2iuu h LEU 541 Cb 0.02 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2iuu h LEU 541 CO -0.08 -0.68 0.48 0.24 -0.62 0.00 0.00 178.44 177.78 2iuu h MET 542 N -1.08 0.11 0.18 1.25 2.86 -0.36 -1.09 114.93 116.81 2iuu h MET 542 Ca -0.09 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2iuu h MET 542 Cb 0.87 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2iuu h MET 542 CO 0.08 0.07 -0.09 0.00 1.06 0.00 0.00 176.91 178.03 2iuu h ALA 543 N 1.67 -0.24 -0.91 6.32 0.00 -0.74 -0.30 119.26 125.06 2iuu h ALA 543 Ca 0.33 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2iuu h ALA 543 Cb 1.15 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2iuu h ALA 543 CO -0.04 -0.51 0.59 0.00 0.00 0.00 0.00 179.25 179.29 2iuu h ALA 544 N 0.27 1.56 0.00 0.00 0.00 -0.80 -1.33 119.26 118.95 2iuu h ALA 544 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iuu h ALA 544 Cb 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2iuu h ALA 544 CO 0.04 0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.24 2iuu n MET 545 N -4.51 0.23 -2.54 0.00 2.00 -0.64 -4.92 117.12 106.73 2iuu n MET 545 Ca 0.15 0.26 -0.08 0.00 0.00 0.00 0.00 57.70 58.03 2iuu n MET 545 Cb 0.25 -1.81 0.01 0.00 0.00 0.00 0.00 33.22 31.67 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 0.95 0.24 3.49 3.03 0.00 -0.50 -5.04 105.19 107.35 2iuu n GLY 546 Ca 0.05 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.77 2.86 -0.48 1.61 1.01 -0.24 -5.05 120.40 117.34 2iuu s VAL 547 Ca 0.11 -1.42 0.23 0.00 0.00 0.00 0.00 61.98 60.91 2iuu s VAL 547 Cb -0.05 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2iuu s VAL 547 CO 0.14 0.16 1.21 0.03 0.00 0.00 0.00 175.10 176.64 2iuu h ARG 548 N 3.92 0.00 -1.88 2.72 3.08 -1.93 -3.40 114.38 116.88 2iuu h ARG 548 Ca -0.49 0.00 0.26 0.00 0.07 0.00 0.00 59.98 59.81 2iuu h ARG 548 Cb 1.16 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.12 2iuu h ARG 548 CO 0.47 0.00 0.67 0.54 -1.07 0.00 0.00 179.97 180.58 2iuu s ASN 549 N -4.72 -0.11 0.33 7.04 2.20 -1.26 -4.87 114.94 113.55 2iuu s ASN 549 Ca 0.04 -0.27 0.12 0.00 -0.94 0.00 0.00 52.86 51.81 2iuu s ASN 549 Cb 0.12 0.32 1.02 0.00 -2.00 0.00 0.00 41.25 40.70 2iuu s ASN 549 CO 0.75 -0.59 1.67 0.25 -2.94 0.00 0.00 177.10 176.24 2iuu h LEU 550 N 2.00 0.48 0.82 3.54 5.85 -1.46 0.10 115.31 126.64 2iuu h LEU 550 Ca -0.27 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2iuu h LEU 550 Cb 1.22 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2iuu h LEU 550 CO 0.27 -0.11 -0.44 0.00 -0.34 0.00 0.00 178.44 177.83 2iuu h ALA 551 N 1.83 -1.18 -0.88 1.25 0.00 -1.96 0.53 119.26 118.85 2iuu h ALA 551 Ca 0.70 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.44 2iuu h ALA 551 Cb 1.55 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 2iuu h ALA 551 CO -0.60 -1.17 0.57 0.78 0.00 0.00 0.00 179.25 178.84 2iuu h GLY 552 N -1.16 1.27 1.00 0.00 0.00 -1.51 -1.33 103.07 101.34 2iuu h GLY 552 Ca -0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 2iuu h GLY 552 CO 0.15 0.27 -0.04 -2.75 0.00 0.00 0.00 176.54 174.17 2iuu h PHE 553 N 0.96 -0.10 0.00 5.60 3.57 -0.57 -2.27 116.94 124.14 2iuu h PHE 553 Ca 0.39 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2iuu h PHE 553 Cb 0.26 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2iuu h PHE 553 CO -0.00 -0.06 -0.12 -0.91 -2.23 0.00 0.00 178.31 174.99 2iuu h ASN 554 N -0.11 0.00 0.47 0.41 -0.26 -0.13 -1.99 115.58 113.97 2iuu h ASN 554 Ca -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 2iuu h ASN 554 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2iuu h ASN 554 CO 0.02 0.12 -0.23 0.03 -1.06 0.00 0.00 177.43 176.31 2iuu h ARG 555 N 0.00 -0.61 -0.92 0.81 3.08 -0.89 -1.32 114.38 114.53 2iuu h ARG 555 Ca -0.00 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.22 2iuu h ARG 555 Cb 0.29 0.14 -0.14 0.00 0.08 0.00 0.00 29.97 30.34 2iuu h ARG 555 CO 0.02 -0.33 -0.43 -0.22 -1.07 0.00 0.00 179.97 177.94 2iuu h LYS 556 N -1.06 -0.04 -0.23 0.04 1.63 -1.17 0.43 116.57 116.17 2iuu h LYS 556 Ca -0.06 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 2iuu h LYS 556 Cb 0.57 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 2iuu h LYS 556 CO 0.11 -0.02 -0.20 -0.24 -3.45 0.00 0.00 179.45 175.64 2iuu h VAL 557 N -0.04 1.24 -0.01 2.00 3.04 -1.40 -1.93 116.25 119.16 2iuu h VAL 557 Ca 0.29 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.85 2iuu h VAL 557 Cb 0.56 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2iuu h VAL 557 CO -0.92 0.36 -0.02 0.50 -1.01 0.00 0.00 177.57 176.47 2iuu h LYS 558 N 0.37 0.03 -0.35 4.17 3.64 0.40 -2.72 116.57 122.11 2iuu h LYS 558 Ca 0.06 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2iuu h LYS 558 Cb 0.57 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 2iuu h LYS 558 CO 0.04 0.64 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.33 2iuu h ASP 559 N -0.57 -0.33 -0.82 4.20 3.32 -0.27 0.11 116.42 122.06 2iuu h ASP 559 Ca -0.00 0.11 0.17 0.00 0.02 0.00 0.00 57.03 57.33 2iuu h ASP 559 Cb 0.64 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.30 2iuu h ASP 559 CO 0.01 -0.12 0.35 0.00 -1.72 0.00 0.00 179.24 177.76 2iuu h ALA 560 N 1.34 1.22 -0.23 3.45 0.00 -1.37 0.75 119.26 124.43 2iuu h ALA 560 Ca 0.17 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 2iuu h ALA 560 Cb 0.26 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2iuu h ALA 560 CO -0.36 -0.24 -0.57 0.93 0.00 0.00 0.00 179.25 179.01 2iuu h GLU 561 N 0.45 0.72 0.00 0.00 5.08 -0.88 -2.02 114.58 117.93 2iuu h GLU 561 Ca 0.48 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2iuu h GLU 561 Cb 0.79 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2iuu h GLU 561 CO -0.45 1.09 0.00 0.93 -1.00 0.00 0.00 179.01 179.58 2iuu h GLU 562 N 0.54 0.00 -0.68 2.33 5.08 0.08 -2.35 114.58 119.58 2iuu h GLU 562 Ca 0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2iuu h GLU 562 Cb 1.15 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.23 2iuu h GLU 562 CO 0.12 0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.42 2iuu n ALA 563 N -1.93 4.72 0.00 3.43 0.00 0.15 -4.94 120.51 121.94 2iuu n ALA 563 Ca 0.02 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.72 2iuu n ALA 563 Cb 0.28 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.78 0.00 3.21 0.00 0.00 -0.88 -4.79 105.19 101.95 2iuu n GLY 564 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.23 4.14 -1.80 2.61 -1.04 -0.78 -4.96 114.28 111.21 2iuu n THR 565 Ca 0.00 -5.36 -0.38 0.00 -2.04 0.00 0.00 64.05 56.27 2iuu n THR 565 Cb 0.00 -2.46 0.04 0.00 -1.82 0.00 0.00 70.33 66.09 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 -1.51 3.08 0.60 -2.82 0.04 -1.16 -4.43 135.00 128.80 2iuu s PRO 566 Ca 0.30 2.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.40 2iuu s PRO 566 Cb -0.07 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2iuu s PRO 566 CO -0.07 -1.22 1.02 -0.51 0.04 0.00 0.00 177.00 176.26 2iuu s LEU 567 N -3.63 3.33 0.08 -3.56 1.43 -1.26 -4.97 118.68 110.09 2iuu s LEU 567 Ca 0.73 1.46 0.08 0.00 -1.03 0.00 0.00 54.13 55.38 2iuu s LEU 567 Cb -0.39 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.31 2iuu s LEU 567 CO 0.46 -0.82 -0.21 0.28 0.23 0.00 0.00 176.35 176.29 2iuu s THR 568 N -3.03 1.75 -0.36 5.49 -1.32 -1.26 -1.36 115.64 115.55 2iuu s THR 568 Ca 0.56 -1.43 -0.34 0.00 -1.21 0.00 0.00 61.69 59.27 2iuu s THR 568 Cb -0.11 -1.56 -0.11 0.00 -1.51 0.00 0.00 72.50 69.22 2iuu s THR 568 CO 0.48 0.06 2.21 -0.67 -2.21 0.00 0.00 174.62 174.49 2iuu n ASP 569 N 1.36 2.19 0.15 8.08 -0.08 -0.48 -4.78 116.55 123.00 2iuu n ASP 569 Ca -0.18 0.35 0.13 0.00 -1.51 0.00 0.00 54.79 53.58 2iuu n ASP 569 Cb 0.53 -1.29 0.51 0.00 2.34 0.00 0.00 41.12 43.21 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 12.89 0.00 -0.64 -0.67 0.13 -1.95 -2.76 132.00 138.99 2iuu h PRO 570 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2iuu h PRO 570 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2iuu h PRO 570 CO 1.03 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.08 2iuu n LEU 571 N -2.39 4.23 -4.73 1.56 4.77 -1.26 -4.93 117.00 114.25 2iuu n LEU 571 Ca 0.02 -2.14 -0.41 0.00 -0.03 0.00 0.00 56.01 53.46 2iuu n LEU 571 Cb 0.27 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2iuu n LEU 571 CO 0.22 0.63 0.53 0.12 -1.33 0.00 0.00 177.39 177.57 2iuu s PHE 572 N -1.99 3.69 -0.24 -1.77 2.19 -1.04 -5.04 117.98 113.77 2iuu s PHE 572 Ca 0.42 1.52 -0.02 0.00 0.33 0.00 0.00 56.93 59.19 2iuu s PHE 572 Cb 0.29 -2.93 0.02 0.00 -1.31 0.00 0.00 43.02 39.09 2iuu s PHE 572 CO 0.18 0.14 -0.06 -0.98 1.83 0.00 0.00 175.22 176.33 2iuu s ARG 573 N 0.45 2.93 0.20 10.12 1.70 -1.26 -5.07 118.95 128.01 2iuu s ARG 573 Ca 0.43 -0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 54.47 2iuu s ARG 573 Cb -0.20 -2.99 -0.10 0.00 -0.57 0.00 0.00 34.95 31.09 2iuu s ARG 573 CO 0.24 -0.37 1.46 1.03 -1.08 0.00 0.00 175.30 176.59 2iuu s ARG 574 N 1.35 4.27 -0.00 3.89 0.52 -1.26 -4.88 118.95 122.84 2iuu s ARG 574 Ca 0.01 2.27 0.02 0.00 -0.52 0.00 0.00 55.73 57.52 2iuu s ARG 574 Cb -0.16 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 2iuu s ARG 574 CO -0.04 -0.47 0.08 0.39 0.02 0.00 0.00 175.30 175.27 2iuu n GLU 575 N 3.09 3.77 -3.86 3.54 1.02 -1.26 -5.03 120.64 121.91 2iuu n GLU 575 Ca 0.10 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 2iuu n GLU 575 Cb 0.40 -0.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.95 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 -1.63 0.05 0.62 1.62 0.15 -1.26 -5.02 113.70 108.23 2iuu s SER 576 Ca 0.00 -0.38 0.40 0.00 0.70 0.00 0.00 55.95 56.67 2iuu s SER 576 Cb 0.02 0.27 2.05 0.00 -1.71 0.00 0.00 66.02 66.65 2iuu s SER 576 CO 0.09 -0.54 2.24 -0.65 1.20 0.00 0.00 173.24 175.59 2iuu h PRO 577 N 3.54 0.00 0.04 5.44 0.11 -2.03 -2.73 132.00 136.36 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 0.48 0.01 -0.02 -0.44 -0.21 0.00 0.00 178.00 177.82 2iuu h ASP 578 N 0.00 -0.05 -0.67 -2.05 3.45 -2.02 -3.46 116.42 111.62 2iuu h ASP 578 Ca -0.00 -0.63 -0.53 0.00 0.43 0.00 0.00 57.03 56.29 2iuu h ASP 578 Cb 0.16 0.01 0.03 0.00 -0.56 0.00 0.00 39.33 38.98 2iuu h ASP 578 CO 0.00 0.67 0.06 0.47 -1.57 0.00 0.00 179.24 178.87 2iuu n ASP 579 N -4.77 0.04 -4.20 6.45 10.43 -1.03 -4.95 116.55 118.52 2iuu n ASP 579 Ca -0.08 0.78 -0.28 0.00 2.57 0.00 0.00 54.79 57.77 2iuu n ASP 579 Cb 0.33 -0.61 -0.16 0.00 1.84 0.00 0.00 41.12 42.52 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 0.11 1.94 -0.15 -1.24 2.02 -1.26 -4.92 118.70 115.19 2iuu s GLU 580 Ca 0.61 -0.73 -0.32 0.00 0.02 0.00 0.00 54.97 54.55 2iuu s GLU 580 Cb -0.86 -1.73 -0.10 0.00 0.10 0.00 0.00 34.13 31.54 2iuu s GLU 580 CO 0.39 0.36 2.04 -2.30 0.02 0.00 0.00 175.26 175.77 2iuu n PRO 581 N 2.87 2.03 -1.30 0.39 -0.02 -1.26 -4.94 135.00 132.78 2iuu n PRO 581 Ca -0.17 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 2iuu n PRO 581 Cb 0.53 -2.82 0.11 0.00 -0.02 0.00 0.00 33.50 31.30 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 5.10 1.93 0.20 0.52 0.04 -1.26 -4.73 135.00 136.79 2iuu s PRO 582 Ca 0.97 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 63.54 2iuu s PRO 582 Cb -0.59 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 2iuu s PRO 582 CO 0.46 -2.00 0.77 -1.14 0.04 0.00 0.00 177.00 175.13 2iuu s GLN 583 N -4.02 4.46 0.29 4.56 0.74 -1.26 -1.39 119.66 123.05 2iuu s GLN 583 Ca 0.74 1.07 -0.28 0.00 0.05 0.00 0.00 55.36 56.94 2iuu s GLN 583 Cb -0.29 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.63 2iuu s GLN 583 CO 0.48 0.49 1.00 -0.51 -0.55 0.00 0.00 175.29 176.20 2iuu s LEU 584 N -1.50 4.48 0.16 3.68 1.43 -0.46 -4.77 118.68 121.70 2iuu s LEU 584 Ca 0.39 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.58 2iuu s LEU 584 Cb -0.21 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 2iuu s LEU 584 CO 0.24 -0.07 -0.14 -0.94 0.23 0.00 0.00 176.35 175.68 2iuu s SER 585 N -1.26 2.20 0.39 2.29 1.04 -1.26 -4.75 113.70 112.34 2iuu s SER 585 Ca 0.47 -0.93 -0.28 0.00 0.48 0.00 0.00 55.95 55.69 2iuu s SER 585 Cb -0.25 -0.08 -0.11 0.00 0.10 0.00 0.00 66.02 65.68 2iuu s SER 585 CO 0.32 -0.19 1.49 0.42 0.98 0.00 0.00 173.24 176.26 2iuu s THR 586 N -2.69 2.01 -0.00 2.02 -4.23 -1.26 -4.99 115.64 106.49 2iuu s THR 586 Ca 0.16 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.56 2iuu s THR 586 Cb -0.02 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2iuu s THR 586 CO 0.04 0.00 0.35 -0.76 -0.54 0.00 0.00 174.62 173.71 2iuu s LEU 587 N -2.18 4.43 0.50 4.79 1.43 -1.26 -5.02 118.68 121.37 2iuu s LEU 587 Ca 0.54 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 2iuu s LEU 587 Cb -0.47 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 2iuu s LEU 587 CO 0.63 0.30 0.88 -2.16 0.23 0.00 0.00 176.35 176.24 2iuu s PRO 588 N -1.30 3.71 -0.01 1.29 0.04 -1.25 -4.89 135.00 132.58 2iuu s PRO 588 Ca 0.25 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2iuu s PRO 588 Cb -0.15 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2iuu s PRO 588 CO 0.13 -0.26 1.07 0.99 0.04 0.00 0.00 177.00 178.97 2iuu s THR 589 N -2.71 4.56 -0.12 1.26 2.01 -0.05 -4.80 115.64 115.79 2iuu s THR 589 Ca 0.53 1.84 -0.12 0.00 0.31 0.00 0.00 61.69 64.25 2iuu s THR 589 Cb -0.10 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 2iuu s THR 589 CO 0.40 0.10 0.27 -0.63 -0.69 0.00 0.00 174.62 174.07 2iuu s ILE 590 N 1.38 5.30 -0.11 1.82 -1.09 0.65 0.31 121.20 129.47 2iuu s ILE 590 Ca 0.54 0.51 0.02 0.00 -2.23 0.00 0.00 60.65 59.48 2iuu s ILE 590 Cb -0.23 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2iuu s ILE 590 CO 0.26 0.48 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.59 2iuu s VAL 591 N -0.14 1.60 -0.27 2.92 1.01 0.34 -0.19 120.40 125.67 2iuu s VAL 591 Ca 0.17 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2iuu s VAL 591 Cb -0.13 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2iuu s VAL 591 CO 0.05 0.46 0.02 -0.69 0.00 0.00 0.00 175.10 174.94 2iuu s VAL 592 N 0.92 3.55 -0.16 2.92 1.01 0.26 -0.77 120.40 128.14 2iuu s VAL 592 Ca -0.07 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2iuu s VAL 592 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2iuu s VAL 592 CO -0.01 0.17 -0.13 0.68 0.00 0.00 0.00 175.10 175.81 2iuu s VAL 593 N 1.45 2.86 -0.30 2.92 -7.23 -0.48 -0.15 120.40 119.46 2iuu s VAL 593 Ca 0.02 -0.71 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 2iuu s VAL 593 Cb -0.17 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.60 2iuu s VAL 593 CO -0.00 0.51 0.02 -0.69 -0.31 0.00 0.00 175.10 174.62 2iuu s VAL 594 N 0.76 3.24 0.13 1.32 1.01 0.47 -1.12 120.40 126.21 2iuu s VAL 594 Ca -0.05 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 2iuu s VAL 594 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2iuu s VAL 594 CO 0.01 -0.07 1.64 -0.78 0.00 0.00 0.00 175.10 175.91 2iuu h ASP 595 N 8.07 -0.68 -2.64 3.32 -0.00 -1.50 -1.47 116.42 121.52 2iuu h ASP 595 Ca -0.24 0.11 -0.60 0.00 -0.00 0.00 0.00 57.03 56.30 2iuu h ASP 595 Cb 1.08 0.30 -0.39 0.00 -0.00 0.00 0.00 39.33 40.31 2iuu h ASP 595 CO 0.56 -0.28 -0.83 -0.70 -0.00 0.00 0.00 179.24 177.99 2iuu s GLU 596 N -6.09 1.44 0.31 0.28 2.56 -1.21 -3.94 118.70 112.05 2iuu s GLU 596 Ca -0.15 -2.52 0.23 0.00 0.00 0.00 0.00 54.97 52.53 2iuu s GLU 596 Cb 0.10 -2.12 1.13 0.00 2.00 0.00 0.00 34.13 35.25 2iuu s GLU 596 CO 0.67 -1.35 1.70 1.97 -0.56 0.00 0.00 175.26 177.70 2iuu n PHE 597 N 2.58 0.81 0.01 5.30 1.16 -0.42 -1.10 117.46 125.79 2iuu n PHE 597 Ca 0.26 0.38 -0.07 0.00 -1.87 0.00 0.00 57.45 56.14 2iuu n PHE 597 Cb 0.43 -1.10 0.11 0.00 -1.61 0.00 0.00 39.48 37.31 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 2.10 0.85 -0.40 1.98 0.00 -1.93 -1.57 119.26 120.29 2iuu h ALA 598 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2iuu h ALA 598 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2iuu h ALA 598 CO 0.00 0.65 -0.17 -0.44 0.00 0.00 0.00 179.25 179.29 2iuu h ASP 599 N 0.41 0.76 -0.14 0.00 3.32 -1.51 -0.69 116.42 118.57 2iuu h ASP 599 Ca 0.03 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2iuu h ASP 599 Cb 0.94 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2iuu h ASP 599 CO 0.08 0.93 0.02 -0.03 -1.72 0.00 0.00 179.24 178.53 2iuu h MET 600 N 0.68 0.24 -0.55 3.56 4.05 -1.40 -0.12 114.93 121.39 2iuu h MET 600 Ca 0.10 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2iuu h MET 600 Cb 0.66 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.40 2iuu h MET 600 CO 0.05 0.43 0.32 0.52 0.23 0.00 0.00 176.91 178.46 2iuu h MET 601 N 0.01 0.62 -0.24 0.39 2.86 -1.22 0.18 114.93 117.54 2iuu h MET 601 Ca 0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2iuu h MET 601 Cb 0.31 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2iuu h MET 601 CO 0.00 0.41 0.14 1.98 1.06 0.00 0.00 176.91 180.50 2iuu h MET 602 N 0.64 0.33 -0.17 1.72 -1.53 -0.85 0.65 114.93 115.72 2iuu h MET 602 Ca 0.23 -0.04 -0.16 0.00 -3.44 0.00 0.00 59.70 56.30 2iuu h MET 602 Cb 0.05 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.04 2iuu h MET 602 CO -0.11 0.29 -0.50 0.82 0.14 0.00 0.00 176.91 177.54 2iuu h ILE 603 N 0.29 1.33 0.03 1.77 2.04 -0.74 -3.39 117.51 118.83 2iuu h ILE 603 Ca 0.09 -1.75 -0.25 0.00 1.00 0.00 0.00 64.86 63.95 2iuu h ILE 603 Cb 0.05 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2iuu h ILE 603 CO -0.01 0.54 -1.35 0.58 0.00 0.00 0.00 178.15 177.91 2iuu h VAL 604 N 0.32 0.90 0.00 1.67 2.07 -0.64 -3.50 116.25 117.07 2iuu h VAL 604 Ca -0.01 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2iuu h VAL 604 Cb 1.12 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2iuu h VAL 604 CO 0.11 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.74 2iuu n GLY 605 N 1.55 0.26 0.47 2.17 0.00 0.22 -4.79 105.19 105.08 2iuu n GLY 605 Ca -0.31 -2.29 0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 8.96 0.16 0.00 1.61 2.10 -1.97 -1.44 116.57 125.98 2iuu h LYS 606 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2iuu h LYS 606 Cb 0.00 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2iuu h LYS 606 CO 0.00 0.11 -0.08 0.87 -2.00 0.00 0.00 179.45 178.35 2iuu h LYS 607 N 0.17 0.00 0.42 0.07 1.57 -1.96 -2.18 116.57 114.66 2iuu h LYS 607 Ca 0.58 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.34 2iuu h LYS 607 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 2iuu h LYS 607 CO -0.14 0.08 -0.21 0.28 -0.57 0.00 0.00 179.45 178.88 2iuu h VAL 608 N 0.00 0.56 -0.54 0.50 2.07 -1.61 0.27 116.25 117.51 2iuu h VAL 608 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2iuu h VAL 608 Cb 0.14 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2iuu h VAL 608 CO 0.01 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 177.67 2iuu h GLU 609 N -0.58 0.30 -0.60 1.57 4.81 -1.61 -0.32 114.58 118.14 2iuu h GLU 609 Ca -0.05 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2iuu h GLU 609 Cb 0.46 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2iuu h GLU 609 CO 0.08 0.20 0.32 0.93 -0.73 0.00 0.00 179.01 179.81 2iuu h GLU 610 N 0.31 0.85 -0.00 1.92 5.08 -1.07 -1.22 114.58 120.44 2iuu h GLU 610 Ca 0.27 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2iuu h GLU 610 Cb 0.35 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2iuu h GLU 610 CO -0.31 0.66 0.00 -0.07 -1.00 0.00 0.00 179.01 178.29 2iuu h LEU 611 N 0.82 0.01 -0.56 1.33 3.38 -0.38 -1.13 115.31 118.77 2iuu h LEU 611 Ca 0.21 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2iuu h LEU 611 Cb 0.07 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 2iuu h LEU 611 CO -0.03 0.16 -0.20 0.40 0.09 0.00 0.00 178.44 178.86 2iuu h ILE 612 N -0.15 0.35 -0.67 1.22 1.08 -0.76 0.83 117.51 119.39 2iuu h ILE 612 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2iuu h ILE 612 Cb 0.16 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 2iuu h ILE 612 CO -0.00 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 177.88 2iuu h ALA 613 N 1.38 0.88 -0.25 1.87 0.00 -1.03 0.74 119.26 122.85 2iuu h ALA 613 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2iuu h ALA 613 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2iuu h ALA 613 CO -0.61 0.19 0.13 -0.09 0.00 0.00 0.00 179.25 178.87 2iuu h ARG 614 N 0.83 0.36 0.76 0.00 2.43 0.18 -1.17 114.38 117.77 2iuu h ARG 614 Ca 0.27 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2iuu h ARG 614 Cb 0.01 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2iuu h ARG 614 CO -0.10 0.35 -0.37 0.82 -1.51 0.00 0.00 179.97 179.16 2iuu h ILE 615 N 0.28 0.23 0.00 1.20 1.08 -0.47 -3.08 117.51 116.75 2iuu h ILE 615 Ca 0.09 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2iuu h ILE 615 Cb 0.11 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2iuu h ILE 615 CO -0.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.45 2iuu h ALA 616 N -0.83 1.00 0.00 1.87 0.00 -0.81 0.25 119.26 120.73 2iuu h ALA 616 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2iuu h ALA 616 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2iuu h ALA 616 CO 0.17 0.00 -0.55 0.37 0.00 0.00 0.00 179.25 179.24 2iuu h GLN 617 N 0.00 0.00 0.00 0.00 -0.00 -1.12 -3.42 115.11 110.57 2iuu h GLN 617 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2iuu h GLN 617 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.51 2iuu h GLN 617 CO 0.00 0.00 -0.04 1.17 0.00 0.00 0.00 178.83 179.96 2iuu n LYS 618 N -2.73 3.38 0.25 1.69 4.81 -0.96 -4.93 118.16 119.67 2iuu n LYS 618 Ca 0.02 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.55 2iuu n LYS 618 Cb 0.52 -0.32 0.66 0.00 0.02 0.00 0.00 35.03 35.91 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 2.00 -1.21 3.14 0.00 -0.76 -3.38 119.26 119.04 2iuu h ALA 619 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2iuu h ALA 619 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2iuu h ALA 619 CO 0.00 -0.04 0.00 -2.13 0.00 0.00 0.00 179.25 177.08 2iuu n ARG 620 N -4.48 0.00 -0.28 0.00 0.63 -1.26 -1.61 116.66 109.66 2iuu n ARG 620 Ca -0.02 0.79 0.33 0.00 -0.92 0.00 0.00 57.85 58.03 2iuu n ARG 620 Cb 0.12 -1.30 0.74 0.00 0.45 0.00 0.00 32.46 32.47 2iuu n ARG 620 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2iuu h ALA 621 N -1.41 3.02 -0.00 5.13 0.00 -1.90 0.30 119.26 124.40 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 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2iuu h ALA 621 CO 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 179.25 177.90 2iuu n ALA 622 N -2.74 2.56 -1.13 0.00 0.00 -0.63 -1.25 120.51 117.32 2iuu n ALA 622 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 2iuu n ALA 622 Cb 1.15 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.40 3.46 0.00 0.00 0.11 -4.71 105.19 105.68 2iuu n GLY 623 Ca 0.16 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.01 3.83 0.02 -0.61 1.09 -1.15 -0.25 121.20 122.12 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 0.47 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.16 2iuu s HIS 625 N 0.67 1.29 -0.18 3.97 3.76 0.74 -4.03 115.29 121.52 2iuu s HIS 625 Ca -0.02 -0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 54.49 2iuu s HIS 625 Cb -0.14 -0.79 -0.05 0.00 1.11 0.00 0.00 32.58 32.71 2iuu s HIS 625 CO 0.02 0.02 0.14 -0.51 -0.85 0.00 0.00 174.74 173.56 2iuu s LEU 626 N -0.81 4.26 -0.30 0.89 1.02 -1.26 -0.58 118.68 121.90 2iuu s LEU 626 Ca 0.04 0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.53 2iuu s LEU 626 Cb -0.07 -2.11 0.09 0.00 0.02 0.00 0.00 46.19 44.12 2iuu s LEU 626 CO 0.01 0.23 0.01 -0.63 0.02 0.00 0.00 176.35 175.98 2iuu s ILE 627 N 0.01 1.97 -0.20 -0.59 -1.09 0.79 0.20 121.20 122.29 2iuu s ILE 627 Ca 0.10 -1.90 -0.03 0.00 -2.23 0.00 0.00 60.65 56.58 2iuu s ILE 627 Cb -0.11 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2iuu s ILE 627 CO -0.00 -0.41 -0.05 -0.76 -1.23 0.00 0.00 174.94 172.49 2iuu s LEU 628 N 1.11 2.94 0.14 2.97 1.43 0.63 -0.40 118.68 127.50 2iuu s LEU 628 Ca 0.04 -0.34 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2iuu s LEU 628 Cb -0.19 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2iuu s LEU 628 CO -0.09 0.03 -0.24 0.00 0.23 0.00 0.00 176.35 176.28 2iuu s ALA 629 N 1.19 2.23 0.07 4.21 0.00 -0.55 0.83 121.76 129.74 2iuu s ALA 629 Ca 0.02 -1.46 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 2iuu s ALA 629 Cb -0.14 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.72 2iuu s ALA 629 CO -0.01 0.43 0.54 -0.08 0.00 0.00 0.00 175.76 176.64 2iuu s THR 630 N -1.36 0.02 -1.08 0.00 -1.32 0.67 -1.30 115.64 111.27 2iuu s THR 630 Ca 0.14 -0.20 0.16 0.00 -1.21 0.00 0.00 61.69 60.58 2iuu s THR 630 Cb -0.09 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.80 2iuu s THR 630 CO 0.07 -0.11 0.76 0.00 -2.21 0.00 0.00 174.62 173.12 2iuu n GLN 631 N 0.21 1.76 -3.21 7.08 6.02 -1.26 -2.06 117.38 125.92 2iuu n GLN 631 Ca -0.18 -0.37 -0.35 0.00 -0.01 0.00 0.00 57.00 56.09 2iuu n GLN 631 Cb 0.61 -1.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.81 3.55 -2.23 -1.09 1.74 -1.26 -4.32 116.66 112.24 2iuu n ARG 632 Ca 0.05 -4.62 -0.33 0.00 -0.77 0.00 0.00 57.85 52.18 2iuu n ARG 632 Cb 0.29 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 2iuu n ARG 632 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2iuu s PRO 633 N -2.65 2.96 0.40 5.56 0.02 -1.26 -4.67 135.00 135.35 2iuu s PRO 633 Ca 0.35 -1.38 0.07 0.00 0.02 0.00 0.00 61.00 60.06 2iuu s PRO 633 Cb 0.10 -5.33 -0.08 0.00 0.02 0.00 0.00 34.50 29.21 2iuu s PRO 633 CO 0.05 -3.42 0.02 -1.54 -0.33 0.00 0.00 177.00 171.78 2iuu s SER 634 N 5.86 3.64 0.49 2.53 1.04 -1.26 -4.62 113.70 121.38 2iuu s SER 634 Ca 0.64 -1.37 0.20 0.00 0.48 0.00 0.00 55.95 55.89 2iuu s SER 634 Cb 0.00 -0.35 1.25 0.00 0.10 0.00 0.00 66.02 67.02 2iuu s SER 634 CO 0.11 -0.47 2.07 0.58 0.98 0.00 0.00 173.24 176.50 2iuu h VAL 635 N 1.83 0.91 -0.00 5.02 2.07 -1.91 -0.64 116.25 123.52 2iuu h VAL 635 Ca -0.43 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 66.51 2iuu h VAL 635 Cb 1.24 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2iuu h VAL 635 CO 0.79 0.12 -0.66 0.44 0.02 0.00 0.00 177.57 178.28 2iuu h ASP 636 N 0.00 0.02 0.00 0.57 3.45 -1.95 -3.34 116.42 115.17 2iuu h ASP 636 Ca -0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 2iuu h ASP 636 Cb 0.24 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 2iuu h ASP 636 CO 0.02 0.67 -0.39 0.52 -1.57 0.00 0.00 179.24 178.49 2iuu n VAL 637 N -3.76 0.91 -2.60 -1.35 0.31 -0.68 -4.55 118.33 106.61 2iuu n VAL 637 Ca -0.01 0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 64.20 2iuu n VAL 637 Cb 0.65 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 2iuu n VAL 637 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2iuu n ILE 638 N -3.75 4.00 -2.07 2.52 5.41 -0.34 -4.91 119.36 120.21 2iuu n ILE 638 Ca -0.05 -4.18 -0.27 0.00 1.00 0.00 0.00 62.75 59.24 2iuu n ILE 638 Cb 0.20 -2.40 0.10 0.00 -0.71 0.00 0.00 39.64 36.83 2iuu n ILE 638 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2iuu s THR 639 N 3.42 2.12 0.18 1.39 -4.23 -1.25 -4.66 115.64 112.60 2iuu s THR 639 Ca 0.50 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 2iuu s THR 639 Cb 0.03 -2.97 0.09 0.00 1.34 0.00 0.00 72.50 70.99 2iuu s THR 639 CO 0.05 0.00 1.82 1.23 -0.54 0.00 0.00 174.62 177.17 2iuu h GLY 640 N -0.94 0.79 0.69 3.99 0.00 -1.92 0.30 103.07 105.98 2iuu h GLY 640 Ca -0.44 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.67 2iuu h GLY 640 CO 0.57 0.20 -0.09 1.41 0.00 0.00 0.00 176.54 178.63 2iuu h LEU 641 N 0.65 -0.27 -0.26 3.11 3.38 -1.96 0.54 115.31 120.50 2iuu h LEU 641 Ca 0.23 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2iuu h LEU 641 Cb 0.04 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2iuu h LEU 641 CO -0.11 -0.13 0.16 0.40 0.09 0.00 0.00 178.44 178.85 2iuu h ILE 642 N -0.13 1.10 -0.23 1.22 1.08 -1.71 -3.05 117.51 115.78 2iuu h ILE 642 Ca 0.05 -0.23 -0.12 0.00 -0.39 0.00 0.00 64.86 64.17 2iuu h ILE 642 Cb 0.21 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 2iuu h ILE 642 CO -0.13 0.09 -0.37 0.11 -0.69 0.00 0.00 178.15 177.16 2iuu h LYS 643 N 0.33 0.51 -0.34 2.37 1.57 -0.08 -3.37 116.57 117.56 2iuu h LYS 643 Ca 0.10 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2iuu h LYS 643 Cb 0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2iuu h LYS 643 CO -0.02 0.80 -0.17 0.00 -0.57 0.00 0.00 179.45 179.50 2iuu n ALA 644 N -2.49 -0.13 -1.87 3.86 0.00 0.19 -1.35 120.51 118.71 2iuu n ALA 644 Ca -0.01 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 2iuu n ALA 644 Cb 0.49 -0.10 0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 -4.47 2.78 -3.51 0.00 4.13 -1.26 -4.78 115.26 108.15 2iuu n ASN 645 Ca 0.02 -3.63 -0.27 0.00 1.68 0.00 0.00 54.58 52.38 2iuu n ASN 645 Cb 0.11 -0.44 -0.09 0.00 -1.54 0.00 0.00 39.78 37.81 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 0.96 0.24 2.41 5.41 -0.46 -4.74 119.36 122.35 2iuu n ILE 646 Ca 0.26 -4.58 0.11 0.00 1.00 0.00 0.00 62.75 59.53 2iuu n ILE 646 Cb 0.83 -2.02 0.63 0.00 -0.71 0.00 0.00 39.64 38.36 2iuu n ILE 646 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2iuu h PRO 647 N 4.74 0.00 -6.00 0.38 0.13 -1.82 -3.44 132.00 125.98 2iuu h PRO 647 Ca 0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 2iuu h PRO 647 Cb 0.77 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 2iuu h PRO 647 CO 0.65 0.17 0.05 0.99 -0.23 0.00 0.00 178.00 179.63 2iuu s THR 648 N -4.13 5.05 -0.01 1.56 2.01 -1.26 -4.24 115.64 114.61 2iuu s THR 648 Ca -0.02 1.36 0.03 0.00 0.31 0.00 0.00 61.69 63.37 2iuu s THR 648 Cb 0.13 -4.00 -0.00 0.00 0.01 0.00 0.00 72.50 68.63 2iuu s THR 648 CO 0.62 0.28 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.60 2iuu s ARG 649 N 0.67 0.80 -0.11 4.92 1.81 -0.42 -2.50 118.95 124.14 2iuu s ARG 649 Ca 0.35 -0.33 0.03 0.00 -1.72 0.00 0.00 55.73 54.07 2iuu s ARG 649 Cb -0.17 -0.77 0.01 0.00 -0.45 0.00 0.00 34.95 33.56 2iuu s ARG 649 CO 0.17 0.18 -0.20 0.42 -0.68 0.00 0.00 175.30 175.19 2iuu s ILE 650 N -0.12 1.84 -0.16 1.52 1.09 0.01 0.44 121.20 125.82 2iuu s ILE 650 Ca 0.02 -0.87 -0.00 0.00 -1.10 0.00 0.00 60.65 58.70 2iuu s ILE 650 Cb -0.05 -1.62 0.04 0.00 -1.06 0.00 0.00 42.46 39.77 2iuu s ILE 650 CO -0.00 0.51 -0.08 0.00 -0.10 0.00 0.00 174.94 175.27 2iuu s ALA 651 N 0.63 1.62 0.78 9.38 0.00 0.35 -2.12 121.76 132.40 2iuu s ALA 651 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2iuu s ALA 651 Cb -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2iuu s ALA 651 CO 0.03 -0.69 0.00 1.19 0.00 0.00 0.00 175.76 176.30 2iuu n PHE 652 N 4.83 -2.71 -2.04 0.00 3.72 0.45 -0.63 117.46 121.09 2iuu n PHE 652 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2iuu n PHE 652 Cb 0.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.81 4.27 0.24 -1.08 0.74 -1.25 -4.71 119.66 116.07 2iuu s GLN 653 Ca 0.00 2.26 0.11 0.00 0.05 0.00 0.00 55.36 57.77 2iuu s GLN 653 Cb 0.00 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 2iuu s GLN 653 CO 0.00 -0.46 -0.20 0.14 -0.55 0.00 0.00 175.29 174.22 2iuu s VAL 654 N 0.52 2.27 0.48 1.34 -7.23 -1.07 -1.48 120.40 115.23 2iuu s VAL 654 Ca 0.63 -2.26 0.14 0.00 -1.81 0.00 0.00 61.98 58.68 2iuu s VAL 654 Cb -0.41 -2.18 0.24 0.00 0.56 0.00 0.00 36.38 34.59 2iuu s VAL 654 CO 0.37 -0.37 2.09 0.28 -0.31 0.00 0.00 175.10 177.16 2iuu h SER 655 N 2.59 0.10 -5.07 4.85 0.02 -1.93 -3.37 113.55 110.74 2iuu h SER 655 Ca -0.41 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2iuu h SER 655 Cb 1.24 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 2iuu h SER 655 CO 0.57 0.12 0.12 -0.94 -1.14 0.00 0.00 176.83 175.56 2iuu s SER 656 N -6.98 -0.23 0.30 3.07 1.04 -1.26 -5.00 113.70 104.64 2iuu s SER 656 Ca -0.05 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.75 2iuu s SER 656 Cb 0.17 0.67 0.58 0.00 0.10 0.00 0.00 66.02 67.53 2iuu s SER 656 CO 0.69 -1.24 1.89 0.11 0.98 0.00 0.00 173.24 175.67 2iuu h LYS 657 N 2.09 0.95 -0.01 4.02 1.57 -1.96 0.84 116.57 124.07 2iuu h LYS 657 Ca -0.23 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2iuu h LYS 657 Cb 1.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2iuu h LYS 657 CO 0.29 0.63 -0.06 0.82 -0.57 0.00 0.00 179.45 180.55 2iuu h ILE 658 N 0.98 0.84 -0.77 1.86 5.03 -1.96 0.73 117.51 124.21 2iuu h ILE 658 Ca 0.42 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 65.19 2iuu h ILE 658 Cb 0.34 0.84 -0.04 0.00 -3.03 0.00 0.00 36.82 34.92 2iuu h ILE 658 CO -0.18 0.00 0.49 0.44 -0.68 0.00 0.00 178.15 178.22 2iuu h ASP 659 N -0.11 0.83 -0.12 1.72 3.45 -1.46 -1.48 116.42 119.25 2iuu h ASP 659 Ca 0.03 -0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.51 2iuu h ASP 659 Cb 0.14 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.69 2iuu h ASP 659 CO -0.07 0.58 -0.09 -1.28 -1.57 0.00 0.00 179.24 176.81 2iuu h SER 660 N 0.98 -0.29 -0.67 6.45 0.87 -0.27 -1.70 113.55 118.92 2iuu h SER 660 Ca 0.30 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.96 2iuu h SER 660 Cb -0.03 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2iuu h SER 660 CO -0.10 -0.12 0.44 0.03 -0.53 0.00 0.00 176.83 176.55 2iuu h ARG 661 N -0.10 0.75 -0.92 2.24 3.08 -0.36 0.22 114.38 119.29 2iuu h ARG 661 Ca 0.08 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2iuu h ARG 661 Cb 0.21 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2iuu h ARG 661 CO -0.18 0.49 0.60 1.15 -1.07 0.00 0.00 179.97 180.96 2iuu h THR 662 N 0.77 1.12 0.03 2.04 2.02 -0.34 0.72 112.91 119.27 2iuu h THR 662 Ca 0.27 -0.38 -0.37 0.00 0.77 0.00 0.00 66.41 66.71 2iuu h THR 662 Cb 0.12 -0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.39 2iuu h THR 662 CO -0.08 0.20 -2.24 0.00 0.37 0.00 0.00 175.52 173.77 2iuu n ILE 663 N -4.46 1.56 0.72 3.11 0.00 -0.80 -4.56 119.36 114.91 2iuu n ILE 663 Ca 0.13 -0.68 0.08 0.00 0.00 0.00 0.00 62.75 62.27 2iuu n ILE 663 Cb 0.15 -1.25 -0.05 0.00 0.00 0.00 0.00 39.64 38.49 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 -3.18 1.14 -3.60 9.51 4.77 0.70 -4.87 117.00 121.47 2iuu n LEU 664 Ca -0.36 -0.62 -0.23 0.00 -0.03 0.00 0.00 56.01 54.76 2iuu n LEU 664 Cb 1.05 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.21 2iuu n LEU 664 CO 0.36 0.24 0.20 0.47 -1.33 0.00 0.00 177.39 177.33 2iuu n ASP 665 N -0.79 -5.27 -3.65 -1.43 10.43 0.25 -4.93 116.55 111.17 2iuu n ASP 665 Ca 0.05 -0.59 -0.02 0.00 2.57 0.00 0.00 54.79 56.80 2iuu n ASP 665 Cb 0.28 -4.92 -0.05 0.00 1.84 0.00 0.00 41.12 38.28 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 -6.16 0.03 0.70 -1.24 0.74 -1.25 -4.96 119.66 107.53 2iuu s GLN 666 Ca 0.47 0.01 -0.10 0.00 0.05 0.00 0.00 55.36 55.79 2iuu s GLN 666 Cb -0.21 0.01 0.03 0.00 1.10 0.00 0.00 33.01 33.94 2iuu s GLN 666 CO 0.74 -0.01 1.07 0.20 -0.55 0.00 0.00 175.29 176.75 2iuu s GLY 667 N -0.82 1.62 0.00 2.59 0.00 -1.26 -2.58 107.32 106.87 2iuu s GLY 667 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2iuu s GLY 667 CO -0.10 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.51 2iuu n GLY 668 N -2.98 3.93 0.24 0.20 0.00 -1.26 -4.95 105.19 100.36 2iuu n GLY 668 Ca 0.07 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 1.11 0.00 4.61 0.00 -1.88 0.25 119.26 123.35 2iuu h ALA 669 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 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 -0.11 -0.03 1.05 0.00 0.00 0.00 179.25 180.16 2iuu h GLU 670 N 0.00 0.00 -0.00 0.00 9.09 -1.82 -2.80 114.58 119.05 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 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2iuu h GLU 670 CO 0.00 0.03 -0.13 1.04 0.05 0.00 0.00 179.01 180.00 2iuu n GLN 671 N -3.11 0.74 -1.59 1.06 1.13 0.89 -4.80 117.38 111.70 2iuu n GLN 671 Ca 0.03 -0.29 -0.34 0.00 -1.94 0.00 0.00 57.00 54.46 2iuu n GLN 671 Cb 0.47 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.39 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 -2.46 3.36 0.00 1.08 1.43 -1.14 -4.81 118.68 116.13 2iuu s LEU 672 Ca 0.28 2.20 0.29 0.00 -1.03 0.00 0.00 54.13 55.87 2iuu s LEU 672 Cb 0.20 -4.57 1.24 0.00 0.03 0.00 0.00 46.19 43.09 2iuu s LEU 672 CO 0.48 -1.97 1.85 0.18 0.23 0.00 0.00 176.35 177.12 2iuu n LEU 673 N -2.56 1.07 0.00 1.79 4.77 -1.26 -4.87 117.00 115.94 2iuu n LEU 673 Ca 0.12 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2iuu n LEU 673 Cb 0.51 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2iuu n LEU 673 CO 0.47 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2iuu n GLY 674 N 1.15 -2.24 4.05 -0.72 0.00 -1.26 -4.92 105.19 101.24 2iuu n GLY 674 Ca 0.20 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.34 -1.53 -0.46 1.61 8.25 -1.09 -1.74 115.22 119.93 2iuu n HIS 675 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2iuu n HIS 675 Cb 0.00 -3.28 0.00 0.00 1.12 0.00 0.00 29.99 27.83 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 -2.14 1.24 3.71 -1.41 0.00 0.32 -4.77 105.19 102.14 2iuu n GLY 676 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.12 6.88 0.14 1.61 3.68 -0.71 -0.02 116.67 125.12 2iuu s ASP 677 Ca 0.00 2.21 -0.05 0.00 2.13 0.00 0.00 52.55 56.85 2iuu s ASP 677 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.87 2iuu s ASP 677 CO 0.00 -0.64 0.15 0.00 0.13 0.00 0.00 175.17 174.82 2iuu s MET 678 N 1.45 1.01 -0.20 4.34 0.23 0.49 -3.76 119.30 122.87 2iuu s MET 678 Ca 0.63 -1.31 0.00 0.00 -1.03 0.00 0.00 55.69 53.99 2iuu s MET 678 Cb -0.34 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 33.28 2iuu s MET 678 CO 0.29 -0.32 -0.16 -0.51 -2.03 0.00 0.00 175.02 172.29 2iuu s LEU 679 N -3.00 2.41 -0.24 0.18 1.43 0.20 -0.30 118.68 119.35 2iuu s LEU 679 Ca 0.20 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2iuu s LEU 679 Cb 0.06 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2iuu s LEU 679 CO 0.00 -0.02 0.11 -0.47 0.23 0.00 0.00 176.35 176.20 2iuu s TYR 680 N 1.32 3.17 -0.43 0.29 5.04 0.43 -0.50 117.35 126.67 2iuu s TYR 680 Ca 0.04 -0.13 0.04 0.00 -2.44 0.00 0.00 57.07 54.58 2iuu s TYR 680 Cb -0.14 -2.25 0.12 0.00 0.35 0.00 0.00 41.96 40.04 2iuu s TYR 680 CO -0.10 -0.17 0.16 -1.17 -1.34 0.00 0.00 175.55 172.92 2iuu s LEU 681 N 1.38 4.55 0.84 6.97 2.96 0.17 0.61 118.68 136.15 2iuu s LEU 681 Ca 0.06 -2.59 -0.12 0.00 -0.22 0.00 0.00 54.13 51.26 2iuu s LEU 681 Cb -0.15 -1.64 0.10 0.00 0.50 0.00 0.00 46.19 45.00 2iuu s LEU 681 CO 0.05 -0.31 1.10 -2.16 -1.32 0.00 0.00 176.35 173.72 2iuu s PRO 682 N 0.30 1.71 0.70 0.98 0.04 -1.26 -1.29 135.00 136.17 2iuu s PRO 682 Ca 0.14 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 2iuu s PRO 682 Cb -0.23 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 2iuu s PRO 682 CO -0.04 -1.88 0.99 -0.35 0.04 0.00 0.00 177.00 175.76 2iuu n PRO 683 N -3.60 0.60 0.00 0.56 -0.04 -1.26 -4.86 135.00 126.39 2iuu n PRO 683 Ca 0.07 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2iuu n PRO 683 Cb 0.56 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 1.12 -2.77 3.27 0.55 0.00 -1.26 -4.94 105.19 101.16 2iuu n GLY 684 Ca 0.13 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 2iuu n GLY 684 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iuu s THR 685 N -0.88 1.13 0.00 2.61 2.01 -1.26 -4.95 115.64 114.30 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 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.47 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 1.58 2.86 3.77 4.40 0.00 -1.26 -5.02 105.19 111.52 2iuu n GLY 686 Ca 0.13 -1.45 -0.39 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 4.31 0.74 0.99 1.43 -1.26 -4.97 118.68 119.92 2iuu s LEU 687 Ca 0.00 2.30 -0.15 0.00 -1.03 0.00 0.00 54.13 55.25 2iuu s LEU 687 Cb 0.00 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.34 2iuu s LEU 687 CO 0.00 -0.48 1.00 -0.81 0.23 0.00 0.00 176.35 176.30 2iuu n PRO 688 N 0.43 0.45 -3.54 1.29 -0.04 -1.26 -4.95 135.00 127.37 2iuu n PRO 688 Ca 0.02 0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 63.31 2iuu n PRO 688 Cb 0.46 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.55 2iuu n PRO 688 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2iuu s ILE 689 N -1.87 5.28 0.11 0.52 -1.09 0.20 -4.86 121.20 119.49 2iuu s ILE 689 Ca 0.73 0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 59.11 2iuu s ILE 689 Cb -0.33 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 36.91 2iuu s ILE 689 CO 0.51 0.23 1.18 -0.60 -1.23 0.00 0.00 174.94 175.03 2iuu s ARG 690 N 1.82 4.47 -0.02 2.79 3.52 -1.26 -0.43 118.95 129.85 2iuu s ARG 690 Ca 0.09 1.79 0.01 0.00 -0.13 0.00 0.00 55.73 57.49 2iuu s ARG 690 Cb -0.16 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 2iuu s ARG 690 CO 0.11 -0.16 -0.03 0.08 -0.81 0.00 0.00 175.30 174.49 2iuu s VAL 691 N 0.55 0.34 -0.67 7.11 1.01 0.59 -3.88 120.40 125.46 2iuu s VAL 691 Ca 0.56 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 2iuu s VAL 691 Cb -0.30 -0.36 0.12 0.00 0.00 0.00 0.00 36.38 35.84 2iuu s VAL 691 CO 0.32 0.15 0.78 -1.00 0.00 0.00 0.00 175.10 175.35 2iuu s HIS 692 N 0.58 3.11 0.34 5.22 0.09 0.58 -0.38 115.29 124.83 2iuu s HIS 692 Ca -0.06 -1.16 -0.26 0.00 -0.00 0.00 0.00 55.06 53.58 2iuu s HIS 692 Cb -0.10 -4.03 -0.13 0.00 -0.00 0.00 0.00 32.58 28.32 2iuu s HIS 692 CO -0.01 -1.29 0.90 0.41 -0.00 0.00 0.00 174.74 174.75 2iuu n GLY 693 N 5.14 -0.56 3.79 -2.22 0.00 0.97 -2.02 105.19 110.28 2iuu n GLY 693 Ca -0.02 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2iuu n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iuu s ALA 694 N -1.19 3.02 -0.09 4.61 0.00 -0.97 -4.73 121.76 122.41 2iuu s ALA 694 Ca 0.61 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 2iuu s ALA 694 Cb -0.66 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 2iuu s ALA 694 CO 0.59 -0.22 0.43 0.12 0.00 0.00 0.00 175.76 176.68 2iuu s PHE 695 N -1.78 3.56 -0.11 0.00 5.36 0.18 -4.77 117.98 120.43 2iuu s PHE 695 Ca 0.61 0.87 -0.02 0.00 -0.96 0.00 0.00 56.93 57.43 2iuu s PHE 695 Cb -0.20 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.06 2iuu s PHE 695 CO 0.25 0.29 -0.00 0.54 -1.46 0.00 0.00 175.22 174.84 2iuu s VAL 696 N 0.18 0.50 0.75 3.12 0.11 -1.26 -2.19 120.40 121.60 2iuu s VAL 696 Ca 0.24 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2iuu s VAL 696 Cb -0.15 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 2iuu s VAL 696 CO 0.10 0.17 1.08 -0.94 -3.33 0.00 0.00 175.10 172.17 2iuu s SER 697 N 1.91 4.88 0.56 3.54 1.04 -1.26 -4.92 113.70 119.46 2iuu s SER 697 Ca 0.04 1.60 0.33 0.00 0.48 0.00 0.00 55.95 58.40 2iuu s SER 697 Cb -0.13 -2.40 1.65 0.00 0.10 0.00 0.00 66.02 65.24 2iuu s SER 697 CO -0.06 -1.76 2.11 0.44 0.98 0.00 0.00 173.24 174.95 2iuu h ASP 698 N -0.94 0.00 0.07 7.02 3.45 -2.00 -2.02 116.42 122.00 2iuu h ASP 698 Ca -0.45 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.01 2iuu h ASP 698 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2iuu h ASP 698 CO 0.56 0.06 -0.03 0.44 -1.57 0.00 0.00 179.24 178.69 2iuu h ASP 699 N 0.00 -0.08 -0.95 6.45 3.45 -1.97 0.11 116.42 123.41 2iuu h ASP 699 Ca -0.00 -0.53 0.17 0.00 0.43 0.00 0.00 57.03 57.09 2iuu h ASP 699 Cb 0.32 0.02 -0.08 0.00 -0.56 0.00 0.00 39.33 39.03 2iuu h ASP 699 CO 0.01 0.57 0.60 -0.33 -1.57 0.00 0.00 179.24 178.52 2iuu h GLU 700 N -0.81 0.70 0.12 3.56 5.08 -1.76 0.61 114.58 122.07 2iuu h GLU 700 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2iuu h GLU 700 Cb 0.61 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2iuu h GLU 700 CO 0.02 0.46 -0.06 0.28 -1.00 0.00 0.00 179.01 178.71 2iuu h VAL 701 N 0.72 1.00 -0.99 3.13 2.07 -1.38 -2.19 116.25 118.60 2iuu h VAL 701 Ca 0.51 -1.23 0.22 0.00 0.82 0.00 0.00 66.70 67.02 2iuu h VAL 701 Cb 0.83 1.68 -0.09 0.00 -1.52 0.00 0.00 31.29 32.19 2iuu h VAL 701 CO -0.27 0.26 0.63 -0.74 0.02 0.00 0.00 177.57 177.47 2iuu h HIS 702 N -0.82 0.80 0.57 1.57 -0.00 0.15 0.02 115.15 117.45 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 0.55 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2iuu h HIS 702 CO 0.10 0.14 -0.28 -0.09 -0.00 0.00 0.00 177.93 177.81 2iuu h ARG 703 N 0.54 -0.74 -0.10 5.26 2.43 0.22 -2.41 114.38 119.58 2iuu h ARG 703 Ca 0.56 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.81 2iuu h ARG 703 Cb 1.19 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2iuu h ARG 703 CO -0.31 -0.43 0.08 0.28 -1.51 0.00 0.00 179.97 178.08 2iuu h VAL 704 N -1.00 0.80 0.39 0.20 2.07 -0.64 -0.86 116.25 117.20 2iuu h VAL 704 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2iuu h VAL 704 Cb 0.65 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2iuu h VAL 704 CO 0.13 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 178.11 2iuu h VAL 705 N 0.00 0.48 -0.97 2.57 2.07 -0.95 -2.40 116.25 117.05 2iuu h VAL 705 Ca 0.05 -0.58 0.13 0.00 0.82 0.00 0.00 66.70 67.11 2iuu h VAL 705 Cb 0.21 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2iuu h VAL 705 CO -0.00 0.09 0.62 -0.33 0.02 0.00 0.00 177.57 177.96 2iuu h GLU 706 N -0.92 0.88 -0.96 1.57 4.39 -0.90 0.25 114.58 118.89 2iuu h GLU 706 Ca -0.05 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.63 2iuu h GLU 706 Cb 0.55 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 2iuu h GLU 706 CO 0.09 0.58 0.63 0.00 -1.16 0.00 0.00 179.01 179.15 2iuu h ALA 707 N 1.56 1.28 0.12 3.43 0.00 -1.13 -1.59 119.26 122.93 2iuu h ALA 707 Ca 0.49 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.08 2iuu h ALA 707 Cb 0.57 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2iuu h ALA 707 CO -0.26 0.50 -1.21 -1.49 0.00 0.00 0.00 179.25 176.80 2iuu h TRP 708 N 1.21 0.64 0.00 0.00 4.06 -0.45 -3.01 115.95 118.40 2iuu h TRP 708 Ca 0.39 -0.43 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 2iuu h TRP 708 Cb 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 2iuu h TRP 708 CO -0.01 1.31 -0.05 0.87 -3.56 0.00 0.00 178.44 177.00 2iuu h LYS 709 N 0.14 0.00 -0.01 0.49 1.57 -0.21 -1.81 116.57 116.74 2iuu h LYS 709 Ca -0.14 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2iuu h LYS 709 Cb 1.90 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.22 2iuu h LYS 709 CO 0.21 0.05 -0.25 -0.07 -0.57 0.00 0.00 179.45 178.81 2iuu h LEU 710 N 0.00 0.23 0.00 2.94 3.38 -1.30 -3.22 115.31 117.35 2iuu h LEU 710 Ca -0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2iuu h LEU 710 Cb 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2iuu h LEU 710 CO 0.01 0.96 0.00 0.54 0.09 0.00 0.00 178.44 180.04 2iuu n ARG 711 N -4.50 0.13 0.00 1.13 1.74 -0.70 -4.81 116.66 109.65 2iuu n ARG 711 Ca -0.10 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2iuu n ARG 711 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.74 3.20 3.94 -0.13 0.00 -1.08 -5.08 105.19 105.29 2iuu n GLY 712 Ca 0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 3.63 -0.16 4.61 0.00 -1.26 -4.36 121.76 122.22 2iuu s ALA 713 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2iuu s ALA 713 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2iuu s ALA 713 CO 0.00 -0.31 1.63 -1.25 0.00 0.00 0.00 175.76 175.83 2iuu s PRO 714 N -4.56 3.93 -1.13 0.00 0.04 -1.24 -4.40 135.00 127.62 2iuu s PRO 714 Ca 0.46 1.85 -0.08 0.00 0.04 0.00 0.00 61.00 63.28 2iuu s PRO 714 Cb -0.10 -4.02 0.27 0.00 0.04 0.00 0.00 34.50 30.69 2iuu s PRO 714 CO 0.39 -1.14 1.37 -3.47 0.04 0.00 0.00 177.00 174.20 2iuu n ASP 715 N 8.01 5.80 -4.81 6.66 4.64 -1.26 -5.03 116.55 130.56 2iuu n ASP 715 Ca 0.18 -3.18 -0.31 0.00 -1.38 0.00 0.00 54.79 50.10 2iuu n ASP 715 Cb 0.44 -1.37 0.05 0.00 -1.04 0.00 0.00 41.12 39.21 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 -1.38 2.99 -0.59 -0.67 4.12 -1.26 -4.73 117.35 115.83 2iuu s TYR 716 Ca 0.33 1.46 0.06 0.00 0.02 0.00 0.00 57.07 58.94 2iuu s TYR 716 Cb -0.01 -2.93 0.22 0.00 -1.52 0.00 0.00 41.96 37.71 2iuu s TYR 716 CO 0.01 -1.33 0.60 -0.89 0.02 0.00 0.00 175.55 173.96 2iuu n ILE 717 N -3.06 1.27 -0.11 2.71 -0.00 -0.30 -4.96 119.36 114.90 2iuu n ILE 717 Ca 0.08 -4.73 0.20 0.00 -0.00 0.00 0.00 62.75 58.30 2iuu n ILE 717 Cb 0.53 -2.05 0.31 0.00 -0.00 0.00 0.00 39.64 38.43 2iuu n ILE 717 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2iuu n GLU 718 N 1.45 0.01 -0.21 0.38 2.13 -1.26 0.26 120.64 123.41 2iuu n GLU 718 Ca 0.26 0.87 0.01 0.00 0.66 0.00 0.00 57.16 58.96 2iuu n GLU 718 Cb 0.42 -2.20 0.12 0.00 0.27 0.00 0.00 31.44 30.05 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 0.16 -0.58 4.31 -0.00 -1.95 -3.16 116.42 115.19 2iuu h ASP 719 Ca 0.36 0.09 0.10 0.00 -0.00 0.00 0.00 57.03 57.59 2iuu h ASP 719 Cb 2.42 0.09 -0.08 0.00 -0.00 0.00 0.00 39.33 41.76 2iuu h ASP 719 CO -0.00 0.09 0.15 -0.29 -0.00 0.00 0.00 179.24 179.18 2iuu h ILE 720 N 0.36 0.69 0.00 2.25 2.10 -0.56 -2.58 117.51 119.78 2iuu h ILE 720 Ca 0.32 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.16 2iuu h ILE 720 Cb 0.44 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 2iuu h ILE 720 CO -0.35 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 176.95 2iuu n LEU 721 N -5.09 0.00 0.00 2.19 4.77 -1.19 -3.75 117.00 113.93 2iuu n LEU 721 Ca 0.08 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2iuu n LEU 721 Cb 0.30 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2iuu n LEU 721 CO 0.19 -0.01 0.24 0.00 -1.33 0.00 0.00 177.39 176.48