#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gut s PRO 340 N 0.00 4.25 0.26 1.61 0.04 -1.26 -4.69 135.00 135.22 3gut s PRO 340 Ca 0.00 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.83 3gut s PRO 340 Cb 0.00 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 3gut s PRO 340 CO 0.00 -0.26 0.24 1.52 0.04 0.00 0.00 177.00 178.54 3gut s TYR 341 N 1.94 1.33 -0.04 0.56 1.13 -0.04 -4.85 117.35 117.40 3gut s TYR 341 Ca 0.33 -1.44 0.03 0.00 -1.41 0.00 0.00 57.07 54.57 3gut s TYR 341 Cb -0.16 -0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 40.13 3gut s TYR 341 CO 0.11 -0.79 -0.11 -1.17 -2.51 0.00 0.00 175.55 171.08 3gut s LEU 342 N -3.24 2.91 -0.09 -3.49 2.96 -1.26 0.50 118.68 116.97 3gut s LEU 342 Ca 0.38 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 3gut s LEU 342 Cb 0.04 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3gut s LEU 342 CO 0.18 0.33 0.24 -1.58 -1.32 0.00 0.00 176.35 174.21 3gut s GLN 343 N -0.91 0.29 -0.36 1.98 0.74 -0.60 -4.89 119.66 115.92 3gut s GLN 343 Ca 0.13 0.30 -0.23 0.00 0.05 0.00 0.00 55.36 55.61 3gut s GLN 343 Cb -0.11 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.15 3gut s GLN 343 CO 0.02 -0.04 0.78 0.42 -0.55 0.00 0.00 175.29 175.93 3gut s ILE 344 N 0.06 4.74 0.04 -2.34 1.01 -1.26 -1.51 121.20 121.94 3gut s ILE 344 Ca -0.01 0.92 0.01 0.00 0.00 0.00 0.00 60.65 61.57 3gut s ILE 344 Cb -0.02 -4.20 -0.26 0.00 0.01 0.00 0.00 42.46 37.99 3gut s ILE 344 CO 0.00 -0.41 0.99 -0.07 0.00 0.00 0.00 174.94 175.45 3gut h LEU 345 N 9.70 0.26 -7.16 2.97 4.07 -1.66 -3.45 115.31 120.04 3gut h LEU 345 Ca -0.25 -0.34 -0.38 0.00 0.08 0.00 0.00 57.88 57.00 3gut h LEU 345 Cb 1.09 -0.09 -0.39 0.00 1.08 0.00 0.00 40.66 42.36 3gut h LEU 345 CO 0.91 1.28 -0.71 -1.61 -1.08 0.00 0.00 178.44 177.22 3gut s GLU 346 N -2.64 0.02 0.19 1.13 0.41 -1.20 -4.91 118.70 111.69 3gut s GLU 346 Ca -0.05 0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.45 3gut s GLU 346 Cb 0.08 -0.98 -0.08 0.00 -1.78 0.00 0.00 34.13 31.37 3gut s GLU 346 CO 0.85 -0.47 1.01 -0.65 -0.49 0.00 0.00 175.26 175.50 3gut s GLN 347 N 2.20 4.72 0.92 1.61 -1.52 -1.26 -4.06 119.66 122.26 3gut s GLN 347 Ca 0.04 1.58 -0.12 0.00 -1.95 0.00 0.00 55.36 54.91 3gut s GLN 347 Cb -0.14 -3.30 0.08 0.00 -0.22 0.00 0.00 33.01 29.43 3gut s GLN 347 CO -0.06 0.27 0.73 -0.35 -0.25 0.00 0.00 175.29 175.63 3gut n PRO 348 N 2.06 -0.30 -2.24 2.91 -0.04 -1.25 -3.39 135.00 132.75 3gut n PRO 348 Ca 0.01 -0.03 -0.33 0.00 -0.04 0.00 0.00 63.50 63.10 3gut n PRO 348 Cb 0.47 -2.08 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 3gut n PRO 348 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3gut s LYS 349 N -3.99 3.49 -0.08 0.54 2.20 0.22 -4.73 119.74 117.38 3gut s LYS 349 Ca 0.62 1.30 -0.00 0.00 -0.36 0.00 0.00 55.97 57.53 3gut s LYS 349 Cb -0.23 -2.05 -0.26 0.00 -1.51 0.00 0.00 37.83 33.78 3gut s LYS 349 CO 0.63 -0.68 0.54 1.96 -0.36 0.00 0.00 175.35 177.44 3gut h GLN 350 N 0.91 0.18 -5.62 4.03 4.20 -1.91 -3.44 115.11 113.46 3gut h GLN 350 Ca -0.48 -0.31 -0.46 0.00 0.06 0.00 0.00 58.65 57.46 3gut h GLN 350 Cb 1.22 0.12 -0.14 0.00 0.30 0.00 0.00 27.48 28.98 3gut h GLN 350 CO 0.58 0.97 -0.74 1.03 -0.67 0.00 0.00 178.83 180.00 3gut s ARG 351 N -2.58 1.36 0.00 1.46 0.52 -1.26 0.22 118.95 118.68 3gut s ARG 351 Ca -0.15 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 3gut s ARG 351 Cb 0.07 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.36 3gut s ARG 351 CO 0.80 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.73 3gut n GLY 352 N -0.41 0.67 3.57 -3.53 0.00 -1.26 -5.00 105.19 99.23 3gut n GLY 352 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3gut n GLY 352 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gut s PHE 353 N -2.00 3.01 -0.10 1.61 5.36 -1.26 -4.90 117.98 119.69 3gut s PHE 353 Ca 0.00 -0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 55.79 3gut s PHE 353 Cb 0.00 -1.81 -0.05 0.00 -0.34 0.00 0.00 43.02 40.82 3gut s PHE 353 CO 0.00 0.23 0.29 0.50 -1.46 0.00 0.00 175.22 174.78 3gut s ARG 354 N -0.43 3.97 0.37 10.12 3.52 -1.26 0.69 118.95 135.93 3gut s ARG 354 Ca 0.07 0.13 -0.24 0.00 -0.13 0.00 0.00 55.73 55.56 3gut s ARG 354 Cb -0.12 -3.31 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 3gut s ARG 354 CO 0.02 0.49 0.96 -0.06 -0.81 0.00 0.00 175.30 175.90 3gut s PHE 355 N -0.32 3.52 -0.14 5.12 0.40 -1.26 -4.76 117.98 120.54 3gut s PHE 355 Ca 0.18 1.71 0.02 0.00 -0.60 0.00 0.00 56.93 58.25 3gut s PHE 355 Cb -0.14 -2.92 0.01 0.00 0.51 0.00 0.00 43.02 40.48 3gut s PHE 355 CO 0.07 0.01 -0.22 1.03 0.70 0.00 0.00 175.22 176.81 3gut s ARG 356 N -2.46 2.98 0.82 0.44 1.81 -0.87 -4.81 118.95 116.86 3gut s ARG 356 Ca 0.55 -0.84 -0.11 0.00 -1.72 0.00 0.00 55.73 53.61 3gut s ARG 356 Cb -0.16 -2.40 0.09 0.00 -0.45 0.00 0.00 34.95 32.03 3gut s ARG 356 CO 0.21 -0.01 1.09 0.71 -0.68 0.00 0.00 175.30 176.62 3gut s TYR 357 N 0.81 2.54 0.08 -0.53 1.51 -1.26 -1.84 117.35 118.67 3gut s TYR 357 Ca -0.07 1.35 -0.34 0.00 -1.01 0.00 0.00 57.07 57.00 3gut s TYR 357 Cb -0.16 -3.10 -0.17 0.00 -0.11 0.00 0.00 41.96 38.43 3gut s TYR 357 CO -0.02 -2.01 1.60 0.28 -1.11 0.00 0.00 175.55 174.29 3gut h VAL 358 N -1.28 0.19 0.00 0.71 2.07 -1.91 -2.49 116.25 113.54 3gut h VAL 358 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3gut h VAL 358 Cb 1.26 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3gut h VAL 358 CO 0.54 0.00 0.24 0.00 0.02 0.00 0.00 177.57 178.37 3gut h GLU 360 N 0.00 0.00 0.00 0.00 5.08 -1.81 -3.49 114.58 114.36 3gut h GLU 360 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gut h GLU 360 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3gut h GLU 360 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3gut n GLY 361 N 0.89 -2.07 3.87 -3.84 0.00 -0.55 -5.06 105.19 98.43 3gut n GLY 361 Ca 0.04 -2.13 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 3gut n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gut s PRO 362 N -0.39 2.84 -0.92 1.61 0.04 -1.26 -4.87 135.00 132.06 3gut s PRO 362 Ca 0.00 -1.19 -0.08 0.00 0.04 0.00 0.00 61.00 59.77 3gut s PRO 362 Cb 0.00 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 3gut s PRO 362 CO 0.00 0.17 0.72 0.43 0.04 0.00 0.00 177.00 178.35 3gut n SER 363 N -1.37 -6.08 -0.55 6.66 7.64 -1.26 -4.96 113.62 113.70 3gut n SER 363 Ca -0.03 -0.68 0.07 0.00 1.01 0.00 0.00 58.87 59.24 3gut n SER 363 Cb 0.59 -3.63 0.06 0.00 -1.01 0.00 0.00 64.21 60.22 3gut n SER 363 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gut n HIS 364 N -2.93 0.02 0.00 1.43 8.25 -1.26 -5.04 115.22 115.69 3gut n HIS 364 Ca -0.12 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3gut n HIS 364 Cb 0.59 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 3gut n HIS 364 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gut n GLY 365 N 0.77 4.83 3.51 -1.41 0.00 -1.26 -5.11 105.19 106.52 3gut n GLY 365 Ca 0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 3gut n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 366 N -1.89 1.93 1.66 -0.02 0.00 -1.26 -4.50 105.19 101.11 3gut n GLY 366 Ca 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 3gut n GLY 366 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gut n LEU 367 N 0.00 0.00 -4.20 0.99 4.77 0.72 -4.79 117.00 114.48 3gut n LEU 367 Ca 0.15 -0.74 -0.15 0.00 -0.03 0.00 0.00 56.01 55.24 3gut n LEU 367 Cb 0.54 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3gut n LEU 367 CO 0.35 -0.83 -0.09 -2.84 -1.33 0.00 0.00 177.39 172.65 3gut s PRO 368 N -3.96 1.58 0.34 3.23 0.02 -1.26 -4.89 135.00 130.05 3gut s PRO 368 Ca 0.31 -1.79 0.03 0.00 0.02 0.00 0.00 61.00 59.57 3gut s PRO 368 Cb -0.01 0.34 -0.04 0.00 0.02 0.00 0.00 34.50 34.81 3gut s PRO 368 CO 0.21 -0.58 0.13 0.20 -0.33 0.00 0.00 177.00 176.63 3gut s GLY 369 N -3.25 2.21 0.21 0.52 0.00 -1.26 0.68 107.32 106.43 3gut s GLY 369 Ca 0.37 -1.66 -0.25 0.00 0.00 0.00 0.00 44.72 43.18 3gut s GLY 369 CO 0.20 -1.70 0.81 0.00 0.00 0.00 0.00 173.10 172.41 3gut s ALA 370 N -3.45 3.39 0.21 3.20 0.00 -1.22 -3.89 121.76 120.01 3gut s ALA 370 Ca 0.32 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3gut s ALA 370 Cb 0.05 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3gut s ALA 370 CO 0.16 0.27 0.00 0.43 0.00 0.00 0.00 175.76 176.62 3gut n SER 371 N 1.24 -9.19 -3.58 0.00 7.64 -1.26 -4.90 113.62 103.56 3gut n SER 371 Ca -0.03 1.45 -0.27 0.00 1.01 0.00 0.00 58.87 61.03 3gut n SER 371 Cb 0.49 -5.22 -0.10 0.00 -1.01 0.00 0.00 64.21 58.37 3gut n SER 371 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3gut n SER 372 N 1.99 2.15 -4.80 6.43 3.41 -1.25 -3.80 113.62 117.74 3gut n SER 372 Ca 0.00 -3.04 -0.30 0.00 -0.26 0.00 0.00 58.87 55.27 3gut n SER 372 Cb 0.00 -0.68 0.10 0.00 -0.26 0.00 0.00 64.21 63.37 3gut n SER 372 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gut s GLU 373 N -1.39 1.93 0.20 4.33 2.02 -1.26 -4.82 118.70 119.70 3gut s GLU 373 Ca 0.32 0.57 -0.05 0.00 0.02 0.00 0.00 54.97 55.83 3gut s GLU 373 Cb 0.05 -1.91 0.34 0.00 0.10 0.00 0.00 34.13 32.72 3gut s GLU 373 CO -0.13 -1.72 1.11 1.63 0.02 0.00 0.00 175.26 176.17 3gut n LYS 374 N -3.49 -0.06 0.00 1.61 5.02 -1.26 -0.56 118.16 119.42 3gut n LYS 374 Ca 0.07 1.10 0.10 0.00 -2.02 0.00 0.00 58.31 57.56 3gut n LYS 374 Cb 0.57 -1.65 0.60 0.00 -0.02 0.00 0.00 35.03 34.53 3gut n LYS 374 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gut n ASN 375 N -5.14 0.00 0.00 4.39 5.03 -1.26 -4.92 115.26 113.36 3gut n ASN 375 Ca 0.12 -1.15 0.00 0.00 0.87 0.00 0.00 54.58 54.41 3gut n ASN 375 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 3gut n ASN 375 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3gut n LYS 376 N -0.86 0.00 0.00 3.52 5.02 0.28 -5.00 118.16 121.12 3gut n LYS 376 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3gut n LYS 376 Cb 0.07 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3gut n LYS 376 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3gut n LYS 377 N -2.03 0.00 -2.40 1.97 3.00 -1.26 -4.84 118.16 112.59 3gut n LYS 377 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3gut n LYS 377 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 35.03 33.32 3gut n LYS 377 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3gut s SER 378 N -1.46 7.14 -0.22 3.14 1.04 -1.25 -4.98 113.70 117.11 3gut s SER 378 Ca 0.00 2.29 -0.04 0.00 0.48 0.00 0.00 55.95 58.67 3gut s SER 378 Cb 0.00 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.58 3gut s SER 378 CO 0.00 -0.28 0.13 -0.31 0.98 0.00 0.00 173.24 173.76 3gut s TYR 379 N -0.65 0.15 0.01 5.02 1.51 -1.26 -4.77 117.35 117.35 3gut s TYR 379 Ca 0.49 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.82 3gut s TYR 379 Cb -0.33 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3gut s TYR 379 CO 0.40 -0.64 1.11 -1.25 -1.11 0.00 0.00 175.55 174.07 3gut s PRO 380 N 2.16 4.46 -0.26 -1.71 0.04 -1.26 -4.88 135.00 133.55 3gut s PRO 380 Ca 0.05 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3gut s PRO 380 Cb -0.16 -3.44 0.07 0.00 0.04 0.00 0.00 34.50 31.02 3gut s PRO 380 CO -0.19 -0.23 -0.00 -0.65 0.04 0.00 0.00 177.00 175.97 3gut s GLN 381 N 1.32 1.32 0.00 4.56 -0.21 -1.26 -0.57 119.66 124.83 3gut s GLN 381 Ca 0.55 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 54.89 3gut s GLN 381 Cb -0.25 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.26 3gut s GLN 381 CO 0.27 -0.72 0.00 0.28 -2.12 0.00 0.00 175.29 173.00 3gut n VAL 382 N 4.70 0.00 -3.65 1.09 0.31 0.16 -1.98 118.33 118.96 3gut n VAL 382 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.23 3gut n VAL 382 Cb 0.44 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 3gut n VAL 382 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3gut s LYS 383 N -2.48 0.25 -0.03 5.55 2.20 -0.57 -2.66 119.74 122.00 3gut s LYS 383 Ca 0.00 0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 55.80 3gut s LYS 383 Cb 0.00 0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 3gut s LYS 383 CO 0.00 -0.05 0.60 0.42 -0.36 0.00 0.00 175.35 175.96 3gut s ILE 384 N 0.96 4.98 0.01 5.43 1.09 -0.34 -1.56 121.20 131.78 3gut s ILE 384 Ca -0.05 1.24 0.07 0.00 -1.10 0.00 0.00 60.65 60.80 3gut s ILE 384 Cb -0.03 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.40 3gut s ILE 384 CO -0.12 0.37 -0.21 0.00 -0.10 0.00 0.00 174.94 174.88 3gut n ASN 386 N 1.95 -2.67 -3.64 0.00 3.02 -1.26 -0.86 115.26 111.80 3gut n ASN 386 Ca -0.16 -0.49 -0.04 0.00 -0.03 0.00 0.00 54.58 53.85 3gut n ASN 386 Cb 0.52 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.38 3gut n ASN 386 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gut s TYR 387 N -3.29 -0.13 -0.29 3.10 5.04 -1.26 -4.18 117.35 116.35 3gut s TYR 387 Ca 0.09 0.28 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 3gut s TYR 387 Cb -0.04 0.47 0.16 0.00 0.35 0.00 0.00 41.96 42.90 3gut s TYR 387 CO 0.59 -0.08 0.40 0.08 -1.34 0.00 0.00 175.55 175.21 3gut s VAL 388 N -0.37 -0.62 -2.40 3.14 1.01 -1.26 -4.96 120.40 114.93 3gut s VAL 388 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3gut s VAL 388 Cb -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3gut s VAL 388 CO -0.11 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.31 3gut n GLY 389 N 5.35 -1.35 3.62 4.51 0.00 -0.93 -4.90 105.19 111.48 3gut n GLY 389 Ca 0.00 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 3gut n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gut n PRO 390 N -0.02 1.53 -3.60 1.61 -0.02 -1.26 -4.35 135.00 128.89 3gut n PRO 390 Ca 0.00 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 61.86 3gut n PRO 390 Cb 0.00 -2.03 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 3gut n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gut s ALA 391 N -0.62 -1.43 -0.14 3.55 0.00 -1.23 -4.18 121.76 117.71 3gut s ALA 391 Ca 0.64 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3gut s ALA 391 Cb -0.72 0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3gut s ALA 391 CO 0.56 -0.34 -0.22 0.21 0.00 0.00 0.00 175.76 175.97 3gut s LYS 392 N -1.31 2.97 -0.16 0.00 2.20 0.53 -1.21 119.74 122.76 3gut s LYS 392 Ca -0.11 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 3gut s LYS 392 Cb -0.02 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 3gut s LYS 392 CO 0.07 -0.02 -0.15 0.08 -0.36 0.00 0.00 175.35 174.97 3gut s VAL 393 N 0.83 2.62 0.14 4.02 1.01 -0.94 0.19 120.40 128.28 3gut s VAL 393 Ca -0.07 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3gut s VAL 393 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3gut s VAL 393 CO -0.02 0.51 -0.08 0.27 0.00 0.00 0.00 175.10 175.78 3gut s ILE 394 N 0.96 3.37 -0.13 2.22 -4.36 0.35 -2.52 121.20 121.10 3gut s ILE 394 Ca -0.03 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3gut s ILE 394 Cb -0.15 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.96 3gut s ILE 394 CO -0.02 0.01 -0.12 -0.69 0.24 0.00 0.00 174.94 174.35 3gut s VAL 395 N -1.44 1.38 0.18 8.37 1.01 0.27 -1.41 120.40 128.76 3gut s VAL 395 Ca 0.23 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.79 3gut s VAL 395 Cb -0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3gut s VAL 395 CO 0.15 0.42 -0.23 -1.10 0.00 0.00 0.00 175.10 174.35 3gut s GLN 396 N 1.42 1.44 -0.31 2.72 -0.21 -0.82 -2.57 119.66 121.33 3gut s GLN 396 Ca 0.02 -1.48 -0.17 0.00 0.02 0.00 0.00 55.36 53.76 3gut s GLN 396 Cb -0.13 -1.71 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 3gut s GLN 396 CO -0.08 0.37 0.45 -0.51 -2.12 0.00 0.00 175.29 173.40 3gut s LEU 397 N -2.62 4.22 0.29 2.90 1.43 -1.26 -1.30 118.68 122.34 3gut s LEU 397 Ca 0.19 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.52 3gut s LEU 397 Cb -0.08 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 3gut s LEU 397 CO 0.09 -0.34 -0.15 0.68 0.23 0.00 0.00 176.35 176.86 3gut s VAL 398 N 2.23 2.22 0.79 -1.59 -7.23 0.93 0.47 120.40 118.20 3gut s VAL 398 Ca 0.17 -2.29 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 3gut s VAL 398 Cb -0.16 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.47 3gut s VAL 398 CO 0.11 -0.36 1.15 0.42 -0.31 0.00 0.00 175.10 176.11 3gut s THR 399 N -2.66 2.49 -0.46 5.32 -4.23 -0.25 -0.28 115.64 115.58 3gut s THR 399 Ca 0.30 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.00 3gut s THR 399 Cb -0.01 -3.12 0.48 0.00 1.34 0.00 0.00 72.50 71.19 3gut s THR 399 CO 0.14 -0.21 1.65 -3.20 -0.54 0.00 0.00 174.62 172.46 3gut n ASN 400 N -3.28 5.47 -2.59 3.99 5.15 -1.26 -4.64 115.26 118.09 3gut n ASN 400 Ca 0.07 -3.76 -0.05 0.00 -0.60 0.00 0.00 54.58 50.24 3gut n ASN 400 Cb 0.59 -0.70 0.02 0.00 -0.53 0.00 0.00 39.78 39.17 3gut n ASN 400 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gut n GLY 401 N -0.91 1.23 0.27 8.20 0.00 -1.26 -5.00 105.19 107.71 3gut n GLY 401 Ca 0.51 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3gut n GLY 401 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gut h LYS 402 N 0.00 0.93 -4.57 1.61 -0.00 -2.03 -3.40 116.57 109.11 3gut h LYS 402 Ca -0.07 -0.48 -0.71 0.00 -0.00 0.00 0.00 60.65 59.40 3gut h LYS 402 Cb 0.27 0.01 -0.27 0.00 -0.00 0.00 0.00 32.23 32.24 3gut h LYS 402 CO 0.08 1.13 -0.53 -0.80 -0.00 0.00 0.00 179.45 179.33 3gut s ASN 403 N -6.83 5.55 0.28 7.07 -0.87 -1.26 -5.08 114.94 113.80 3gut s ASN 403 Ca -0.11 -1.24 -0.29 0.00 -1.57 0.00 0.00 52.86 49.66 3gut s ASN 403 Cb 0.11 -1.95 -0.14 0.00 -0.02 0.00 0.00 41.25 39.25 3gut s ASN 403 CO 0.88 -0.42 1.10 -0.38 -2.57 0.00 0.00 177.10 175.71 3gut n ILE 404 N 4.90 1.81 -3.86 0.60 2.08 -1.26 -4.95 119.36 118.68 3gut n ILE 404 Ca -0.11 -0.45 -0.09 0.00 0.56 0.00 0.00 62.75 62.65 3gut n ILE 404 Cb 0.44 -1.11 -0.04 0.00 -0.75 0.00 0.00 39.64 38.18 3gut n ILE 404 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3gut s HIS 405 N -0.91 0.07 0.30 1.39 3.76 -1.26 -4.59 115.29 114.04 3gut s HIS 405 Ca 0.60 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.79 3gut s HIS 405 Cb -0.69 0.33 -0.09 0.00 1.11 0.00 0.00 32.58 33.24 3gut s HIS 405 CO 0.59 -0.97 1.10 -0.51 -0.85 0.00 0.00 174.74 174.10 3gut s LEU 406 N -2.93 4.50 0.19 0.89 1.43 -1.19 -1.09 118.68 120.49 3gut s LEU 406 Ca 0.14 2.26 -0.07 0.00 -1.03 0.00 0.00 54.13 55.43 3gut s LEU 406 Cb -0.01 -3.69 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 3gut s LEU 406 CO 0.03 -0.20 0.48 -2.28 0.23 0.00 0.00 176.35 174.61 3gut s HIS 407 N -1.21 3.45 -0.04 0.29 5.65 0.18 -4.62 115.29 118.98 3gut s HIS 407 Ca 0.46 0.73 0.29 0.00 0.25 0.00 0.00 55.06 56.79 3gut s HIS 407 Cb -0.31 -2.15 1.01 0.00 -1.18 0.00 0.00 32.58 29.95 3gut s HIS 407 CO 0.40 0.34 1.85 0.00 -0.65 0.00 0.00 174.74 176.68 3gut h ALA 408 N 2.63 0.99 -2.46 1.58 0.00 -1.90 -3.46 119.26 116.65 3gut h ALA 408 Ca -0.46 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 53.89 3gut h ALA 408 Cb 1.17 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 19.06 3gut h ALA 408 CO 0.70 0.06 0.37 -1.01 0.00 0.00 0.00 179.25 179.37 3gut s HIS 409 N -3.53 2.56 -0.00 0.00 3.76 -1.26 -4.73 115.29 112.09 3gut s HIS 409 Ca 0.03 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.53 3gut s HIS 409 Cb 0.08 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 3gut s HIS 409 CO 0.59 -1.78 -0.09 -1.12 -0.85 0.00 0.00 174.74 171.49 3gut s SER 410 N -2.59 4.44 -0.26 1.40 0.01 -0.95 -4.77 113.70 110.99 3gut s SER 410 Ca 0.67 -0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.60 3gut s SER 410 Cb -0.21 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 3gut s SER 410 CO 0.43 0.29 0.38 -0.22 0.41 0.00 0.00 173.24 174.53 3gut s LEU 411 N -1.28 4.06 0.39 2.44 2.96 -1.21 0.37 118.68 126.39 3gut s LEU 411 Ca 0.16 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 3gut s LEU 411 Cb -0.11 -2.44 -0.07 0.00 0.50 0.00 0.00 46.19 44.07 3gut s LEU 411 CO 0.06 -0.17 0.03 0.54 -1.32 0.00 0.00 176.35 175.49 3gut s VAL 412 N 1.94 1.65 0.00 1.68 0.11 0.25 -4.17 120.40 121.86 3gut s VAL 412 Ca 0.16 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.21 3gut s VAL 412 Cb -0.16 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 3gut s VAL 412 CO 0.09 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 3gut n GLY 413 N -0.89 0.26 3.62 6.54 0.00 -1.26 -1.60 105.19 111.86 3gut n GLY 413 Ca -0.05 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3gut n GLY 413 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gut s LYS 414 N 0.00 3.57 -0.07 1.61 2.20 -1.08 -2.58 119.74 123.40 3gut s LYS 414 Ca 0.00 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 3gut s LYS 414 Cb 0.00 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 3gut s LYS 414 CO 0.00 -1.58 0.00 0.72 -0.36 0.00 0.00 175.35 174.13 3gut n HIS 415 N 9.58 0.00 -3.64 4.03 8.25 -1.26 -4.89 115.22 127.29 3gut n HIS 415 Ca 0.23 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.41 3gut n HIS 415 Cb 0.45 -0.60 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 3gut n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gut s GLU 417 N -3.31 0.49 -1.48 0.00 2.12 0.42 -4.78 118.70 112.15 3gut s GLU 417 Ca 0.39 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 56.33 3gut s GLU 417 Cb -0.11 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.52 3gut s GLU 417 CO 0.29 -0.07 0.42 -0.25 -0.54 0.00 0.00 175.26 175.11 3gut n ASP 418 N 2.62 -0.65 0.00 -1.70 8.00 -1.26 -0.54 116.55 123.01 3gut n ASP 418 Ca -0.14 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3gut n ASP 418 Cb 0.56 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.90 3gut n ASP 418 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gut n GLY 419 N -1.97 0.21 3.16 0.44 0.00 -1.26 -4.98 105.19 100.80 3gut n GLY 419 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3gut n GLY 419 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gut s VAL 420 N -1.51 1.41 -0.31 1.61 1.01 0.29 -3.36 120.40 119.54 3gut s VAL 420 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3gut s VAL 420 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3gut s VAL 420 CO 0.00 0.40 0.29 0.00 0.00 0.00 0.00 175.10 175.79 3gut s THR 422 N 1.90 2.11 0.28 0.00 2.01 -0.96 -0.57 115.64 120.41 3gut s THR 422 Ca 0.10 -1.49 0.06 0.00 0.31 0.00 0.00 61.69 60.67 3gut s THR 422 Cb -0.16 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 3gut s THR 422 CO 0.11 0.07 -0.03 0.68 -0.69 0.00 0.00 174.62 174.76 3gut s VAL 423 N 1.15 1.46 0.03 3.82 -7.23 -1.05 -4.88 120.40 113.70 3gut s VAL 423 Ca -0.06 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3gut s VAL 423 Cb -0.19 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3gut s VAL 423 CO -0.06 -0.25 -0.09 0.42 -0.31 0.00 0.00 175.10 174.80 3gut s THR 424 N -3.13 3.48 -0.54 5.32 -4.23 -1.26 -2.22 115.64 113.05 3gut s THR 424 Ca 0.30 -0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 59.72 3gut s THR 424 Cb 0.05 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.45 3gut s THR 424 CO 0.12 0.34 0.62 0.00 -0.54 0.00 0.00 174.62 175.16 3gut s ALA 425 N -1.02 3.45 0.14 3.99 0.00 -0.35 -4.97 121.76 123.00 3gut s ALA 425 Ca 0.18 -2.09 -0.07 0.00 0.00 0.00 0.00 51.96 49.97 3gut s ALA 425 Cb -0.11 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3gut s ALA 425 CO 0.08 -2.13 0.02 0.41 0.00 0.00 0.00 175.76 174.15 3gut n GLY 426 N 5.23 -0.91 0.30 0.00 0.00 -1.07 -3.49 105.19 105.25 3gut n GLY 426 Ca -0.09 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.08 3gut n GLY 426 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gut h PRO 427 N 0.10 0.00 0.00 1.61 0.13 -1.96 -3.26 132.00 128.61 3gut h PRO 427 Ca -0.12 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.83 3gut h PRO 427 Cb 0.47 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 3gut h PRO 427 CO 0.15 0.04 -1.48 1.63 -0.23 0.00 0.00 178.00 178.11 3gut n LYS 428 N -3.53 0.43 -2.55 0.86 5.02 -1.26 -2.20 118.16 114.93 3gut n LYS 428 Ca -0.02 0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 3gut n LYS 428 Cb 0.14 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3gut n LYS 428 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gut s ASP 429 N -6.43 6.77 -0.09 4.39 -1.08 -1.23 -4.83 116.67 114.17 3gut s ASP 429 Ca -0.26 0.97 0.19 0.00 -0.52 0.00 0.00 52.55 52.93 3gut s ASP 429 Cb 0.07 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.70 3gut s ASP 429 CO 0.35 -1.04 1.62 0.23 0.52 0.00 0.00 175.17 176.85 3gut n MET 430 N 7.26 3.52 -3.62 4.34 2.81 -1.26 -2.59 117.12 127.57 3gut n MET 430 Ca 0.13 -2.85 -0.39 0.00 -1.81 0.00 0.00 57.70 52.78 3gut n MET 430 Cb 0.47 -1.82 -0.11 0.00 -0.71 0.00 0.00 33.22 31.05 3gut n MET 430 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gut s VAL 431 N -1.65 4.72 -0.10 2.03 1.01 -1.26 -1.19 120.40 123.95 3gut s VAL 431 Ca 0.51 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 3gut s VAL 431 Cb 0.31 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3gut s VAL 431 CO 0.27 0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.74 3gut s VAL 432 N 1.62 4.77 0.27 2.92 1.01 -1.09 -4.95 120.40 124.96 3gut s VAL 432 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.06 3gut s VAL 432 Cb -0.17 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3gut s VAL 432 CO 0.07 0.60 -0.09 -0.83 0.00 0.00 0.00 175.10 174.86 3gut s GLY 433 N -0.87 1.75 -0.45 4.51 0.00 -1.25 0.38 107.32 111.38 3gut s GLY 433 Ca 0.13 -1.75 0.06 0.00 0.00 0.00 0.00 44.72 43.17 3gut s GLY 433 CO 0.03 -1.82 0.50 0.69 0.00 0.00 0.00 173.10 172.50 3gut n PHE 434 N -0.77 0.30 -1.99 1.90 3.72 0.27 -4.97 117.46 115.92 3gut n PHE 434 Ca -0.06 -3.63 -0.29 0.00 -0.05 0.00 0.00 57.45 53.42 3gut n PHE 434 Cb 0.59 -0.24 0.16 0.00 -0.94 0.00 0.00 39.48 39.06 3gut n PHE 434 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gut s ALA 435 N -1.07 2.45 -0.62 4.37 0.00 -1.26 -4.43 121.76 121.20 3gut s ALA 435 Ca 0.35 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 3gut s ALA 435 Cb 0.12 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.51 3gut s ALA 435 CO -0.12 -2.20 0.50 -1.71 0.00 0.00 0.00 175.76 172.22 3gut n ASN 436 N -3.59 -3.97 -3.92 0.00 4.05 -1.26 -4.70 115.26 101.87 3gut n ASN 436 Ca 0.14 -0.69 -0.25 0.00 0.45 0.00 0.00 54.58 54.22 3gut n ASN 436 Cb 0.60 -1.29 -0.17 0.00 1.23 0.00 0.00 39.78 40.15 3gut n ASN 436 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3gut s LEU 437 N -4.03 1.25 0.10 1.20 2.96 -1.26 -2.63 118.68 116.28 3gut s LEU 437 Ca 0.05 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3gut s LEU 437 Cb -0.01 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 3gut s LEU 437 CO 0.73 -0.08 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.66 3gut s GLY 438 N 1.38 1.16 -0.08 7.98 0.00 -0.63 -0.20 107.32 116.93 3gut s GLY 438 Ca -0.02 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.36 3gut s GLY 438 CO -0.04 -1.23 0.30 -0.42 0.00 0.00 0.00 173.10 171.71 3gut s ILE 439 N -1.34 5.24 -0.40 0.90 -1.09 -1.26 -0.58 121.20 122.66 3gut s ILE 439 Ca 0.06 0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.97 3gut s ILE 439 Cb -0.09 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.25 3gut s ILE 439 CO 0.04 0.54 0.23 -0.22 -1.23 0.00 0.00 174.94 174.30 3gut s LEU 440 N -0.64 4.97 -0.27 2.97 2.96 0.16 -2.05 118.68 126.78 3gut s LEU 440 Ca 0.19 -1.36 -0.29 0.00 -0.22 0.00 0.00 54.13 52.46 3gut s LEU 440 Cb -0.14 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3gut s LEU 440 CO 0.08 -0.48 1.60 -2.28 -1.32 0.00 0.00 176.35 173.95 3gut s HIS 441 N 1.45 2.14 0.65 5.38 5.65 -0.76 -2.23 115.29 127.56 3gut s HIS 441 Ca 0.02 0.61 -0.13 0.00 0.25 0.00 0.00 55.06 55.81 3gut s HIS 441 Cb -0.22 -4.05 -0.01 0.00 -1.18 0.00 0.00 32.58 27.12 3gut s HIS 441 CO 0.03 -2.70 1.05 0.14 -0.65 0.00 0.00 174.74 172.61 3gut s VAL 442 N 5.49 4.02 0.53 0.89 -7.23 -1.26 -4.30 120.40 118.54 3gut s VAL 442 Ca 0.70 0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 61.53 3gut s VAL 442 Cb -0.22 -3.44 -0.06 0.00 0.56 0.00 0.00 36.38 33.22 3gut s VAL 442 CO 0.30 -0.75 0.94 0.42 -0.31 0.00 0.00 175.10 175.70 3gut s THR 443 N -2.83 4.68 0.11 5.32 -4.23 -1.26 -4.97 115.64 112.47 3gut s THR 443 Ca 0.60 0.87 -0.22 0.00 -1.18 0.00 0.00 61.69 61.76 3gut s THR 443 Cb -0.14 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 3gut s THR 443 CO 0.47 -0.84 1.71 0.50 -0.54 0.00 0.00 174.62 175.92 3gut h LYS 444 N 0.46 -0.08 -0.62 3.99 3.64 -2.00 -2.60 116.57 119.36 3gut h LYS 444 Ca -0.46 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 3gut h LYS 444 Cb 1.19 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 3gut h LYS 444 CO 0.62 -0.05 0.41 0.87 -2.27 0.00 0.00 179.45 179.03 3gut h LYS 445 N -0.08 0.51 -0.85 1.90 1.57 -2.05 -2.17 116.57 115.40 3gut h LYS 445 Ca 0.05 -0.03 -0.39 0.00 -1.87 0.00 0.00 60.65 58.41 3gut h LYS 445 Cb 0.15 -0.11 -0.23 0.00 0.08 0.00 0.00 32.23 32.11 3gut h LYS 445 CO -0.12 0.34 0.47 1.63 -0.57 0.00 0.00 179.45 181.19 3gut n LYS 446 N -4.48 2.69 -0.01 3.15 5.02 -1.01 -4.61 118.16 118.91 3gut n LYS 446 Ca 0.09 -3.05 -0.14 0.00 -2.02 0.00 0.00 58.31 53.19 3gut n LYS 446 Cb 0.30 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 3gut n LYS 446 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gut h VAL 447 N 1.53 1.31 0.43 -0.18 2.07 -1.10 -2.99 116.25 117.32 3gut h VAL 447 Ca 0.48 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 3gut h VAL 447 Cb 2.59 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 3gut h VAL 447 CO 0.92 0.62 -0.21 0.15 0.02 0.00 0.00 177.57 179.08 3gut h PHE 448 N 0.48 -0.53 -0.55 1.57 3.04 -1.82 -2.76 116.94 116.37 3gut h PHE 448 Ca -0.03 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.96 3gut h PHE 448 Cb 1.33 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.98 3gut h PHE 448 CO 0.07 -0.33 0.37 1.05 -2.02 0.00 0.00 178.31 177.45 3gut h GLU 449 N -1.12 0.51 -0.02 1.11 4.11 -1.90 0.30 114.58 117.57 3gut h GLU 449 Ca -0.06 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.19 3gut h GLU 449 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3gut h GLU 449 CO 0.10 0.34 -0.70 1.15 0.07 0.00 0.00 179.01 179.97 3gut h THR 450 N 0.53 1.45 -0.05 -1.06 2.02 -1.64 -1.76 112.91 112.40 3gut h THR 450 Ca 0.24 -2.27 -0.24 0.00 0.77 0.00 0.00 66.41 64.90 3gut h THR 450 Cb 0.26 2.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.90 3gut h THR 450 CO -0.07 0.66 -0.93 0.25 0.37 0.00 0.00 175.52 175.80 3gut h LEU 451 N 0.09 0.84 -0.79 2.58 7.12 -0.93 -2.43 115.31 121.79 3gut h LEU 451 Ca -0.01 -0.63 -0.06 0.00 0.13 0.00 0.00 57.88 57.30 3gut h LEU 451 Cb 1.23 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 3gut h LEU 451 CO 0.10 1.43 0.18 -0.08 -0.13 0.00 0.00 178.44 179.94 3gut h GLU 452 N 0.41 1.09 0.00 1.25 4.81 -0.33 -2.14 114.58 119.67 3gut h GLU 452 Ca -0.09 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 3gut h GLU 452 Cb 1.57 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 3gut h GLU 452 CO 0.18 0.95 -0.31 0.00 -0.73 0.00 0.00 179.01 179.10 3gut h ALA 453 N 1.15 0.94 0.04 2.92 0.00 -1.32 -2.73 119.26 120.26 3gut h ALA 453 Ca 0.22 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 3gut h ALA 453 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gut h ALA 453 CO -0.00 0.39 -1.01 0.00 0.00 0.00 0.00 179.25 178.63 3gut h ARG 454 N 0.00 0.27 -0.27 0.00 2.47 -1.09 -2.69 114.38 113.06 3gut h ARG 454 Ca -0.00 -0.34 -0.13 0.00 -1.26 0.00 0.00 59.98 58.24 3gut h ARG 454 Cb 0.93 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 3gut h ARG 454 CO 0.04 1.08 -0.36 0.52 0.56 0.00 0.00 179.97 181.81 3gut h MET 455 N 0.13 0.61 0.43 0.04 2.86 -1.33 -2.33 114.93 115.33 3gut h MET 455 Ca -0.08 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 3gut h MET 455 Cb 1.68 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.34 3gut h MET 455 CO 0.16 0.88 -0.21 1.15 1.06 0.00 0.00 176.91 179.95 3gut h THR 456 N 0.51 0.57 -0.06 2.22 2.02 -1.50 -1.75 112.91 114.92 3gut h THR 456 Ca 0.05 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3gut h THR 456 Cb 0.86 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3gut h THR 456 CO 0.07 0.04 0.04 -0.33 0.37 0.00 0.00 175.52 175.71 3gut h GLU 457 N -0.70 0.03 0.00 6.66 5.08 -1.46 -1.00 114.58 123.19 3gut h GLU 457 Ca -0.06 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3gut h GLU 457 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3gut h GLU 457 CO 0.10 0.02 -0.53 0.00 -1.00 0.00 0.00 179.01 177.60 3gut h ALA 458 N 1.97 0.75 0.00 3.43 0.00 -1.30 -2.55 119.26 121.55 3gut h ALA 458 Ca 0.03 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 3gut h ALA 458 Cb 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3gut h ALA 458 CO -0.00 0.40 -1.32 0.00 0.00 0.00 0.00 179.25 178.33 3gut h ILE 460 N 0.00 1.38 0.00 0.00 2.04 -1.26 -3.17 117.51 116.50 3gut h ILE 460 Ca -0.16 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3gut h ILE 460 Cb 1.78 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 40.19 3gut h ILE 460 CO 0.08 0.57 -0.32 0.54 0.00 0.00 0.00 178.15 179.02 3gut n ARG 461 N -4.22 0.07 -2.78 2.37 5.12 -0.96 -4.23 116.66 112.01 3gut n ARG 461 Ca -0.09 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.73 3gut n ARG 461 Cb 0.63 -1.55 0.03 0.00 -1.16 0.00 0.00 32.46 30.40 3gut n ARG 461 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gut n GLY 462 N 1.46 -0.01 3.45 -0.13 0.00 -0.68 -4.10 105.19 105.19 3gut n GLY 462 Ca 0.06 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3gut n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gut s TYR 463 N -2.96 3.25 -1.50 1.61 2.02 0.95 -3.15 117.35 117.57 3gut s TYR 463 Ca 0.21 -1.63 -0.09 0.00 -0.37 0.00 0.00 57.07 55.19 3gut s TYR 463 Cb -0.09 -4.28 0.07 0.00 -0.40 0.00 0.00 41.96 37.25 3gut s TYR 463 CO 0.26 -1.45 0.73 0.09 -1.57 0.00 0.00 175.55 173.61 3gut n ASN 464 N 6.21 -2.56 0.26 2.29 4.13 -1.26 -4.80 115.26 119.53 3gut n ASN 464 Ca 0.27 -0.91 0.15 0.00 1.68 0.00 0.00 54.58 55.77 3gut n ASN 464 Cb 0.47 -3.41 0.85 0.00 -1.54 0.00 0.00 39.78 36.15 3gut n ASN 464 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3gut h PRO 465 N -1.84 0.00 0.10 3.52 0.11 -1.80 -2.83 132.00 129.26 3gut h PRO 465 Ca -0.60 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.24 3gut h PRO 465 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 3gut h PRO 465 CO 0.67 0.00 -1.25 0.78 -0.21 0.00 0.00 178.00 177.99 3gut h GLY 466 N 0.00 0.24 1.43 -0.55 0.00 -1.74 -2.12 103.07 100.32 3gut h GLY 466 Ca 0.03 -0.60 -0.29 0.00 0.00 0.00 0.00 47.33 46.46 3gut h GLY 466 CO -0.00 0.53 -1.29 1.41 0.00 0.00 0.00 176.54 177.19 3gut h LEU 467 N 0.06 0.66 0.01 3.11 4.07 -1.77 -3.19 115.31 118.26 3gut h LEU 467 Ca -0.13 -0.67 -0.36 0.00 0.08 0.00 0.00 57.88 56.80 3gut h LEU 467 Cb 1.94 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 43.40 3gut h LEU 467 CO 0.18 1.51 -2.29 0.18 -1.08 0.00 0.00 178.44 176.93 3gut n LEU 468 N -3.67 0.92 -0.10 1.67 4.77 -1.08 -4.63 117.00 114.88 3gut n LEU 468 Ca -0.12 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 3gut n LEU 468 Cb 1.02 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 42.11 3gut n LEU 468 CO 0.57 0.60 -0.86 0.52 -1.33 0.00 0.00 177.39 176.89 3gut n VAL 469 N -2.94 1.50 -3.60 4.08 0.31 -0.83 -3.17 118.33 113.68 3gut n VAL 469 Ca -0.34 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 3gut n VAL 469 Cb 1.10 -2.18 -0.07 0.00 -0.91 0.00 0.00 33.84 31.79 3gut n VAL 469 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3gut s HIS 470 N -2.64 -0.61 0.22 3.52 2.46 -1.01 -4.81 115.29 112.42 3gut s HIS 470 Ca -0.30 1.36 -0.11 0.00 0.47 0.00 0.00 55.06 56.49 3gut s HIS 470 Cb 0.07 0.35 0.31 0.00 -0.13 0.00 0.00 32.58 33.18 3gut s HIS 470 CO 0.43 -0.38 1.64 0.77 -2.47 0.00 0.00 174.74 174.74 3gut h SER 471 N 4.03 -0.40 -0.51 9.88 0.02 -1.84 -2.91 113.55 121.82 3gut h SER 471 Ca -0.27 0.17 -0.33 0.00 -0.84 0.00 0.00 61.79 60.52 3gut h SER 471 Cb 1.16 0.33 -0.15 0.00 0.14 0.00 0.00 62.40 63.88 3gut h SER 471 CO 0.17 -0.16 0.43 -0.90 -1.14 0.00 0.00 176.83 175.23 3gut n ASP 472 N -5.35 6.02 0.00 3.07 5.68 -1.26 -3.66 116.55 121.04 3gut n ASP 472 Ca 0.09 -3.06 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 3gut n ASP 472 Cb 0.37 -0.99 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 3gut n ASP 472 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3gut n LEU 473 N 0.16 0.62 0.11 -2.12 7.94 -1.10 -4.75 117.00 117.87 3gut n LEU 473 Ca 0.32 -0.62 0.09 0.00 -1.11 0.00 0.00 56.01 54.69 3gut n LEU 473 Cb 0.67 0.00 0.44 0.00 0.53 0.00 0.00 43.42 45.06 3gut n LEU 473 CO 0.39 0.15 0.77 0.00 -1.11 0.00 0.00 177.39 177.60 3gut n ALA 474 N -0.03 1.25 0.55 1.96 0.00 -1.24 -1.70 120.51 121.30 3gut n ALA 474 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.65 3gut n ALA 474 Cb 0.14 -1.27 0.39 0.00 0.00 0.00 0.00 19.45 18.70 3gut n ALA 474 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3gut n TYR 475 N -2.06 0.18 -3.15 0.00 0.18 -1.26 -4.19 117.16 106.85 3gut n TYR 475 Ca 0.00 0.07 -0.45 0.00 1.88 0.00 0.00 57.90 59.40 3gut n TYR 475 Cb 0.09 -0.61 -0.00 0.00 -0.38 0.00 0.00 39.34 38.44 3gut n TYR 475 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3gut s LEU 476 N -3.31 5.72 -0.04 -3.48 1.43 -0.69 -5.02 118.68 113.28 3gut s LEU 476 Ca 0.08 -3.32 -0.03 0.00 -1.03 0.00 0.00 54.13 49.82 3gut s LEU 476 Cb 0.11 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3gut s LEU 476 CO 0.33 -0.50 0.13 -1.10 0.23 0.00 0.00 176.35 175.44 3gut s GLN 477 N 0.09 3.31 -0.77 1.70 -1.52 -1.26 -4.47 119.66 116.74 3gut s GLN 477 Ca 0.37 -0.32 -0.24 0.00 -1.95 0.00 0.00 55.36 53.22 3gut s GLN 477 Cb -0.07 -3.04 -0.16 0.00 -0.22 0.00 0.00 33.01 29.53 3gut s GLN 477 CO -0.04 0.70 2.39 0.00 -0.25 0.00 0.00 175.29 178.09 3gut n ALA 478 N 1.36 0.53 -2.56 6.09 0.00 -1.19 -3.22 120.51 121.51 3gut n ALA 478 Ca -0.14 -1.19 -0.38 0.00 0.00 0.00 0.00 53.44 51.73 3gut n ALA 478 Cb 0.53 -3.11 0.01 0.00 0.00 0.00 0.00 19.45 16.88 3gut n ALA 478 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gut n GLU 479 N 8.38 4.55 -1.31 0.00 -0.58 -1.26 -4.51 120.64 125.91 3gut n GLU 479 Ca 0.49 -4.50 -0.11 0.00 -0.42 0.00 0.00 57.16 52.62 3gut n GLU 479 Cb 0.40 -2.39 -0.05 0.00 -0.57 0.00 0.00 31.44 28.83 3gut n GLU 479 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gut n GLY 480 N -0.19 1.15 0.00 0.62 0.00 -1.26 -4.16 105.19 101.35 3gut n GLY 480 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3gut n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 481 N -0.96 0.07 3.27 -0.02 0.00 -1.26 -5.05 105.19 101.24 3gut n GLY 481 Ca -0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 3gut n GLY 481 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 482 N 0.00 -0.21 1.86 -0.02 0.00 -1.20 -2.15 105.19 103.47 3gut n GLY 482 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 3gut n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gut n ASP 483 N 10.64 -3.11 0.00 1.61 9.92 -1.26 -4.49 116.55 129.86 3gut n ASP 483 Ca 0.22 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3gut n ASP 483 Cb 0.46 -1.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.25 3gut n ASP 483 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3gut n ARG 484 N -1.58 0.00 -3.68 -1.24 0.63 -0.92 -4.15 116.66 105.73 3gut n ARG 484 Ca -0.01 0.22 -0.23 0.00 -0.92 0.00 0.00 57.85 56.91 3gut n ARG 484 Cb 0.52 -1.62 -0.17 0.00 0.45 0.00 0.00 32.46 31.63 3gut n ARG 484 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3gut s GLN 485 N -2.32 0.19 0.09 -0.14 -0.21 -1.26 -5.01 119.66 111.00 3gut s GLN 485 Ca 0.00 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 3gut s GLN 485 Cb 0.00 -1.19 -0.06 0.00 1.00 0.00 0.00 33.01 32.76 3gut s GLN 485 CO 0.00 -0.46 1.07 -0.51 -2.12 0.00 0.00 175.29 173.26 3gut s LEU 486 N 2.08 4.43 1.25 2.90 1.02 -1.26 -5.06 118.68 124.05 3gut s LEU 486 Ca 0.03 1.91 -0.20 0.00 0.02 0.00 0.00 54.13 55.89 3gut s LEU 486 Cb -0.14 -3.59 0.30 0.00 0.02 0.00 0.00 46.19 42.79 3gut s LEU 486 CO -0.06 -0.26 1.08 0.42 0.02 0.00 0.00 176.35 177.56 3gut s THR 487 N 0.42 1.52 -0.58 5.49 -4.23 -1.26 -4.89 115.64 112.11 3gut s THR 487 Ca 0.52 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.27 3gut s THR 487 Cb -0.26 -2.42 0.20 0.00 1.34 0.00 0.00 72.50 71.36 3gut s THR 487 CO 0.31 0.00 1.53 0.44 -0.54 0.00 0.00 174.62 176.35 3gut h ASP 488 N -2.76 0.00 0.96 3.99 5.19 -1.99 -3.04 116.42 118.76 3gut h ASP 488 Ca -0.44 -0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 55.80 3gut h ASP 488 Cb 1.30 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.79 3gut h ASP 488 CO 0.32 0.03 -1.11 -0.09 -3.12 0.00 0.00 179.24 175.27 3gut h ARG 489 N 0.00 0.00 0.00 3.56 1.12 -1.99 -3.21 114.38 113.86 3gut h ARG 489 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 3gut h ARG 489 Cb 0.84 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.78 3gut h ARG 489 CO 0.00 0.25 -0.68 0.93 -3.11 0.00 0.00 179.97 177.36 3gut h GLU 490 N 0.00 0.00 0.00 0.20 5.08 -1.92 -2.84 114.58 115.11 3gut h GLU 490 Ca -0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3gut h GLU 490 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 3gut h GLU 490 CO 0.04 0.68 -0.14 0.87 -1.00 0.00 0.00 179.01 179.45 3gut h LYS 491 N 0.00 0.00 0.00 2.33 1.57 -1.60 -2.87 116.57 115.99 3gut h LYS 491 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3gut h LYS 491 Cb 1.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 3gut h LYS 491 CO 0.09 0.14 -0.82 0.93 -0.57 0.00 0.00 179.45 179.21 3gut h GLU 492 N 0.00 0.00 0.01 3.15 4.39 -1.53 -2.39 114.58 118.20 3gut h GLU 492 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 3gut h GLU 492 Cb 0.93 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.60 3gut h GLU 492 CO 0.02 0.44 -0.96 0.82 -1.16 0.00 0.00 179.01 178.17 3gut h ILE 493 N 0.00 1.31 -0.41 3.13 1.08 -1.42 -3.04 117.51 118.16 3gut h ILE 493 Ca -0.06 -2.22 -0.12 0.00 -0.39 0.00 0.00 64.86 62.07 3gut h ILE 493 Cb 1.45 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 37.64 3gut h ILE 493 CO 0.06 0.68 -0.22 0.40 -0.69 0.00 0.00 178.15 178.38 3gut h ILE 494 N 0.28 1.28 -0.21 -0.67 5.03 -1.58 -1.54 117.51 120.09 3gut h ILE 494 Ca -0.12 -1.37 -0.05 0.00 -0.12 0.00 0.00 64.86 63.20 3gut h ILE 494 Cb 1.63 1.27 -0.01 0.00 -3.03 0.00 0.00 36.82 36.68 3gut h ILE 494 CO 0.19 0.46 -0.07 0.03 -0.68 0.00 0.00 178.15 178.08 3gut h ARG 495 N 0.70 0.32 0.06 2.37 -0.00 -1.51 -0.54 114.38 115.78 3gut h ARG 495 Ca 0.09 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.98 59.25 3gut h ARG 495 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.70 3gut h ARG 495 CO 0.07 0.41 -1.24 1.96 0.00 0.00 0.00 179.97 181.16 3gut h GLN 496 N 0.31 0.12 -0.02 0.04 4.20 -1.46 -2.91 115.11 115.39 3gut h GLN 496 Ca 0.07 -0.21 -0.22 0.00 0.06 0.00 0.00 58.65 58.34 3gut h GLN 496 Cb 0.33 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3gut h GLN 496 CO 0.02 1.03 -0.89 0.00 -0.67 0.00 0.00 178.83 178.31 3gut h ALA 497 N 0.78 0.40 0.62 3.87 0.00 -1.11 -2.88 119.26 120.94 3gut h ALA 497 Ca -0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 3gut h ALA 497 Cb 1.90 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.67 3gut h ALA 497 CO 0.15 0.79 -0.30 0.00 0.00 0.00 0.00 179.25 179.90 3gut h ALA 498 N 0.75 -0.83 -0.81 0.00 0.00 -1.19 -0.61 119.26 116.57 3gut h ALA 498 Ca -0.07 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3gut h ALA 498 Cb 1.52 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 3gut h ALA 498 CO 0.16 -0.87 0.53 -0.24 0.00 0.00 0.00 179.25 178.83 3gut h VAL 499 N -1.02 1.02 -0.10 0.00 3.04 -1.62 -1.99 116.25 115.58 3gut h VAL 499 Ca -0.08 -0.30 -0.22 0.00 -1.01 0.00 0.00 66.70 65.09 3gut h VAL 499 Cb 0.68 0.09 0.01 0.00 -2.01 0.00 0.00 31.29 30.06 3gut h VAL 499 CO 0.14 0.16 -0.81 -0.61 -1.01 0.00 0.00 177.57 175.44 3gut h GLN 500 N 0.86 0.64 0.00 4.17 5.75 -1.47 -3.27 115.11 121.80 3gut h GLN 500 Ca 0.36 -0.56 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3gut h GLN 500 Cb 0.27 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3gut h GLN 500 CO -0.13 1.17 0.00 1.96 -2.65 0.00 0.00 178.83 179.18 3gut h GLN 501 N 0.43 0.00 0.00 1.69 4.20 -0.81 -3.31 115.11 117.31 3gut h GLN 501 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3gut h GLN 501 Cb 1.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 3gut h GLN 501 CO 0.16 0.00 -0.61 1.79 -0.67 0.00 0.00 178.83 179.49 3gut h THR 502 N 0.00 0.00 0.00 -0.54 1.35 -1.41 -3.24 112.91 109.07 3gut h THR 502 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3gut h THR 502 Cb 0.82 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3gut h THR 502 CO 0.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.56 3gut n LYS 503 N -2.27 0.05 -2.98 4.72 2.85 -1.24 -4.08 118.16 115.20 3gut n LYS 503 Ca 0.03 0.15 -0.15 0.00 -1.05 0.00 0.00 58.31 57.28 3gut n LYS 503 Cb 0.46 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 3gut n LYS 503 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3gut n GLU 504 N -1.46 0.86 -4.03 -1.58 -0.58 -1.22 -5.10 120.64 107.52 3gut n GLU 504 Ca 0.06 -2.62 -0.31 0.00 -0.42 0.00 0.00 57.16 53.86 3gut n GLU 504 Cb 0.22 -1.36 -0.16 0.00 -0.57 0.00 0.00 31.44 29.57 3gut n GLU 504 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3gut s MET 505 N -0.74 2.19 -0.55 3.49 1.75 -1.25 -5.02 119.30 119.17 3gut s MET 505 Ca 0.33 -1.01 -0.27 0.00 -1.25 0.00 0.00 55.69 53.49 3gut s MET 505 Cb 0.26 -2.60 -0.02 0.00 2.84 0.00 0.00 34.83 35.31 3gut s MET 505 CO -0.12 -0.46 1.79 0.34 -0.65 0.00 0.00 175.02 175.92 3gut s ASP 506 N 1.29 5.50 0.00 1.11 -1.08 -1.26 -4.81 116.67 117.42 3gut s ASP 506 Ca -0.03 0.52 0.17 0.00 -0.52 0.00 0.00 52.55 52.69 3gut s ASP 506 Cb -0.17 -2.53 0.84 0.00 -1.46 0.00 0.00 42.92 39.60 3gut s ASP 506 CO -0.08 -2.16 1.52 0.18 0.52 0.00 0.00 175.17 175.15 3gut n LEU 507 N 11.86 0.00 -0.90 -1.34 4.32 -1.26 -3.03 117.00 126.66 3gut n LEU 507 Ca 0.20 0.33 0.12 0.00 -0.02 0.00 0.00 56.01 56.64 3gut n LEU 507 Cb 0.51 -0.33 0.15 0.00 -1.62 0.00 0.00 43.42 42.13 3gut n LEU 507 CO 0.71 -0.14 0.66 -1.20 -1.22 0.00 0.00 177.39 176.20 3gut n SER 508 N -1.33 2.81 -3.87 -1.43 7.64 -1.26 -4.91 113.62 111.27 3gut n SER 508 Ca 0.07 -1.94 -0.11 0.00 1.01 0.00 0.00 58.87 57.90 3gut n SER 508 Cb 0.15 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.23 3gut n SER 508 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gut s VAL 509 N -2.00 0.05 0.09 0.44 1.01 -1.17 -2.07 120.40 116.75 3gut s VAL 509 Ca 0.29 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3gut s VAL 509 Cb 0.20 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.34 3gut s VAL 509 CO 0.30 -0.22 0.40 0.54 0.00 0.00 0.00 175.10 176.13 3gut s VAL 510 N -0.70 0.07 0.06 2.92 0.11 -0.95 -4.63 120.40 117.28 3gut s VAL 510 Ca -0.08 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 3gut s VAL 510 Cb -0.05 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 3gut s VAL 510 CO 0.00 -0.30 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.19 3gut s ARG 511 N -3.32 0.92 0.22 1.54 0.52 0.61 -1.08 118.95 118.36 3gut s ARG 511 Ca 0.00 -0.88 -0.13 0.00 -0.52 0.00 0.00 55.73 54.20 3gut s ARG 511 Cb 0.01 -0.96 -0.08 0.00 0.52 0.00 0.00 34.95 34.45 3gut s ARG 511 CO -0.08 0.23 0.60 -0.51 0.02 0.00 0.00 175.30 175.55 3gut s LEU 512 N -1.45 4.21 -0.20 2.53 1.43 -1.26 -0.05 118.68 123.90 3gut s LEU 512 Ca 0.01 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.15 3gut s LEU 512 Cb -0.09 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.58 3gut s LEU 512 CO 0.02 -0.04 0.15 -0.32 0.23 0.00 0.00 176.35 176.39 3gut s MET 513 N -2.52 0.13 -0.01 1.70 1.75 -0.42 -0.31 119.30 119.62 3gut s MET 513 Ca 0.46 0.00 -0.20 0.00 -1.25 0.00 0.00 55.69 54.70 3gut s MET 513 Cb -0.13 -1.49 -0.05 0.00 2.84 0.00 0.00 34.83 36.00 3gut s MET 513 CO 0.20 -0.70 0.56 -0.06 -0.65 0.00 0.00 175.02 174.37 3gut s PHE 514 N 2.22 3.68 -0.11 4.11 0.40 -0.96 -1.95 117.98 125.36 3gut s PHE 514 Ca 0.05 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 3gut s PHE 514 Cb -0.16 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 40.83 3gut s PHE 514 CO -0.13 0.38 -0.11 0.99 0.70 0.00 0.00 175.22 177.05 3gut s THR 515 N -0.26 1.25 -0.05 0.64 2.01 -0.50 -2.30 115.64 116.43 3gut s THR 515 Ca 0.29 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 3gut s THR 515 Cb -0.18 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 3gut s THR 515 CO 0.16 0.40 0.22 0.00 -0.69 0.00 0.00 174.62 174.71 3gut s ALA 516 N 1.39 3.85 -0.13 7.40 0.00 -1.26 -0.49 121.76 132.53 3gut s ALA 516 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3gut s ALA 516 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.95 3gut s ALA 516 CO -0.06 0.62 -0.12 -0.06 0.00 0.00 0.00 175.76 176.14 3gut s PHE 517 N -1.14 1.86 0.17 0.00 0.08 0.51 -1.92 117.98 117.54 3gut s PHE 517 Ca 0.21 -0.98 0.02 0.00 0.12 0.00 0.00 56.93 56.30 3gut s PHE 517 Cb -0.13 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3gut s PHE 517 CO 0.10 -0.57 0.32 -0.51 -0.10 0.00 0.00 175.22 174.46 3gut s LEU 518 N 1.46 4.31 0.02 -0.37 1.43 0.15 -0.35 118.68 125.33 3gut s LEU 518 Ca 0.02 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 3gut s LEU 518 Cb -0.13 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 3gut s LEU 518 CO -0.08 0.02 1.69 -2.16 0.23 0.00 0.00 176.35 176.05 3gut s PRO 519 N -3.27 4.19 0.00 1.29 0.04 -1.26 -1.28 135.00 134.71 3gut s PRO 519 Ca 0.36 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3gut s PRO 519 Cb -0.11 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.63 3gut s PRO 519 CO 0.29 -0.79 0.00 -0.40 0.04 0.00 0.00 177.00 176.13 3gut n ASP 520 N 6.34 0.00 0.10 6.66 3.85 -0.63 -4.83 116.55 128.04 3gut n ASP 520 Ca 0.17 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 54.12 3gut n ASP 520 Cb 0.41 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.11 3gut n ASP 520 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3gut h SER 521 N 0.00 -0.14 0.28 -1.12 4.64 -1.96 -3.01 113.55 112.24 3gut h SER 521 Ca 0.00 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 3gut h SER 521 Cb 0.00 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3gut h SER 521 CO 0.00 -0.05 -0.17 0.71 -0.87 0.00 0.00 176.83 176.45 3gut h THR 522 N -0.21 0.88 0.00 2.95 1.35 -2.03 -3.46 112.91 112.39 3gut h THR 522 Ca -0.02 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3gut h THR 522 Cb 0.17 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3gut h THR 522 CO 0.03 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 3gut n GLY 523 N -0.81 1.03 3.68 5.82 0.00 -1.14 -5.09 105.19 108.68 3gut n GLY 523 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3gut n GLY 523 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gut s SER 524 N -1.97 7.05 -0.97 1.61 0.01 -1.26 -4.57 113.70 113.60 3gut s SER 524 Ca 0.00 1.72 -0.24 0.00 1.31 0.00 0.00 55.95 58.74 3gut s SER 524 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 3gut s SER 524 CO 0.00 -0.62 1.92 -0.36 0.41 0.00 0.00 173.24 174.60 3gut s PHE 525 N 2.57 1.88 0.00 2.43 0.40 -1.26 -1.60 117.98 122.39 3gut s PHE 525 Ca 0.54 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.38 3gut s PHE 525 Cb -0.22 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.24 3gut s PHE 525 CO 0.18 -1.64 0.43 0.25 0.70 0.00 0.00 175.22 175.15 3gut n THR 526 N 7.81 0.00 -2.67 0.64 -2.24 -1.05 -4.75 114.28 112.02 3gut n THR 526 Ca 0.41 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3gut n THR 526 Cb 0.47 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 3gut n THR 526 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gut s ARG 527 N -0.05 3.23 -0.09 -0.78 0.52 -0.40 -4.86 118.95 116.52 3gut s ARG 527 Ca 0.00 -0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 54.67 3gut s ARG 527 Cb 0.00 -4.15 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 3gut s ARG 527 CO 0.00 -1.92 0.63 0.50 0.02 0.00 0.00 175.30 174.53 3gut s ARG 528 N 5.00 4.39 0.37 3.54 3.52 -1.26 0.32 118.95 134.83 3gut s ARG 528 Ca 0.32 0.74 0.03 0.00 -0.13 0.00 0.00 55.73 56.69 3gut s ARG 528 Cb -0.11 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 3gut s ARG 528 CO 0.16 0.06 0.55 -0.51 -0.81 0.00 0.00 175.30 174.75 3gut s LEU 529 N 0.85 3.88 -0.13 -0.88 1.43 -0.81 -5.01 118.68 118.02 3gut s LEU 529 Ca 0.34 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 3gut s LEU 529 Cb -0.17 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.01 3gut s LEU 529 CO 0.15 -0.49 2.08 -1.61 0.23 0.00 0.00 176.35 176.71 3gut s GLU 530 N -4.32 3.55 0.43 1.70 0.41 -1.26 -4.58 118.70 114.63 3gut s GLU 530 Ca 0.45 2.21 -0.25 0.00 -0.41 0.00 0.00 54.97 56.97 3gut s GLU 530 Cb -0.10 -4.27 -0.08 0.00 -1.78 0.00 0.00 34.13 27.90 3gut s GLU 530 CO 0.34 -1.63 1.34 -1.25 -0.49 0.00 0.00 175.26 173.57 3gut s PRO 531 N 5.54 3.80 -0.12 0.39 0.04 -1.26 -4.60 135.00 138.78 3gut s PRO 531 Ca 0.94 2.22 0.02 0.00 0.04 0.00 0.00 61.00 64.23 3gut s PRO 531 Cb -0.36 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.53 3gut s PRO 531 CO 0.37 -0.65 -0.20 0.54 0.04 0.00 0.00 177.00 177.10 3gut s VAL 532 N -1.26 1.83 0.41 -0.36 0.11 -0.97 -4.99 120.40 115.17 3gut s VAL 532 Ca 0.60 -0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 58.74 3gut s VAL 532 Cb -0.39 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 3gut s VAL 532 CO 0.50 0.51 0.71 0.68 -3.33 0.00 0.00 175.10 174.17 3gut s VAL 533 N 0.79 4.94 0.43 2.04 -7.23 -1.26 -2.27 120.40 117.84 3gut s VAL 533 Ca -0.09 0.15 0.08 0.00 -1.81 0.00 0.00 61.98 60.31 3gut s VAL 533 Cb -0.16 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 32.98 3gut s VAL 533 CO 0.00 -0.66 0.56 -0.94 -0.31 0.00 0.00 175.10 173.75 3gut s SER 534 N -3.76 5.55 1.06 4.85 1.04 0.58 -4.98 113.70 118.03 3gut s SER 534 Ca 0.46 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 3gut s SER 534 Cb -0.10 -0.59 0.19 0.00 0.10 0.00 0.00 66.02 65.63 3gut s SER 534 CO 0.38 -0.79 0.44 0.47 0.98 0.00 0.00 173.24 174.73 3gut n ASP 535 N -1.84 -2.94 -4.92 7.02 10.43 -1.26 -4.57 116.55 118.47 3gut n ASP 535 Ca 0.08 -0.44 -0.29 0.00 2.57 0.00 0.00 54.79 56.70 3gut n ASP 535 Cb 0.60 -0.61 -0.04 0.00 1.84 0.00 0.00 41.12 42.91 3gut n ASP 535 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gut s ALA 536 N -2.05 3.89 -0.14 2.24 0.00 -1.26 -4.41 121.76 120.03 3gut s ALA 536 Ca 0.34 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3gut s ALA 536 Cb -0.06 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.13 3gut s ALA 536 CO 0.28 0.62 -0.14 0.42 0.00 0.00 0.00 175.76 176.94 3gut s ILE 537 N -1.69 1.54 -0.26 0.00 1.01 -0.25 -4.22 121.20 117.33 3gut s ILE 537 Ca 0.38 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 3gut s ILE 537 Cb -0.12 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 3gut s ILE 537 CO 0.28 0.45 0.17 -0.31 0.00 0.00 0.00 174.94 175.53 3gut s TYR 538 N 1.36 3.26 0.10 3.97 2.02 0.61 -2.23 117.35 126.45 3gut s TYR 538 Ca 0.02 0.16 -0.36 0.00 -0.37 0.00 0.00 57.07 56.52 3gut s TYR 538 Cb -0.13 -2.32 -0.17 0.00 -0.40 0.00 0.00 41.96 38.93 3gut s TYR 538 CO -0.08 -0.06 1.19 -3.47 -1.57 0.00 0.00 175.55 171.56 3gut n ASP 539 N 4.68 1.09 0.01 2.29 -0.08 -0.88 -4.22 116.55 119.45 3gut n ASP 539 Ca -0.15 1.13 0.13 0.00 -1.51 0.00 0.00 54.79 54.40 3gut n ASP 539 Cb 0.52 -1.14 0.45 0.00 2.34 0.00 0.00 41.12 43.29 3gut n ASP 539 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3gut n SER 540 N 2.13 0.28 -0.84 1.67 3.41 0.22 -3.25 113.62 117.24 3gut n SER 540 Ca 0.17 0.23 0.05 0.00 -0.26 0.00 0.00 58.87 59.07 3gut n SER 540 Cb 0.19 -0.23 0.18 0.00 -0.26 0.00 0.00 64.21 64.09 3gut n SER 540 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3gut n LYS 541 N -1.61 2.19 -3.22 4.33 4.81 -1.26 -4.04 118.16 119.36 3gut n LYS 541 Ca 0.06 -1.40 -0.39 0.00 -0.87 0.00 0.00 58.31 55.71 3gut n LYS 541 Cb 0.35 -1.47 -0.06 0.00 0.02 0.00 0.00 35.03 33.87 3gut n LYS 541 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gut s ALA 542 N -1.62 3.51 0.37 3.14 0.00 -1.20 -4.95 121.76 121.01 3gut s ALA 542 Ca 0.25 0.02 0.27 0.00 0.00 0.00 0.00 51.96 52.51 3gut s ALA 542 Cb 0.15 -2.72 1.38 0.00 0.00 0.00 0.00 23.12 21.94 3gut s ALA 542 CO 0.14 0.21 2.04 -1.35 0.00 0.00 0.00 175.76 176.79 3gut h PRO 543 N 5.45 0.00 -1.07 0.00 0.11 -1.91 -2.57 132.00 132.01 3gut h PRO 543 Ca -0.46 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 3gut h PRO 543 Cb 1.20 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 3gut h PRO 543 CO 0.68 0.13 0.69 0.27 -0.21 0.00 0.00 178.00 179.57 3gut n ASN 544 N -3.59 5.74 -0.09 -2.05 6.94 -1.26 -4.28 115.26 116.68 3gut n ASN 544 Ca -0.01 -3.53 0.00 0.00 -0.02 0.00 0.00 54.58 51.01 3gut n ASN 544 Cb 0.27 -0.91 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 3gut n ASN 544 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gut n ALA 545 N -0.77 0.58 -1.78 -2.53 0.00 -0.98 -5.02 120.51 110.01 3gut n ALA 545 Ca 0.54 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.66 3gut n ALA 545 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.47 3gut n ALA 545 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gut s SER 546 N 0.00 6.35 -0.75 0.00 1.04 -1.13 -4.55 113.70 114.66 3gut s SER 546 Ca 0.00 1.72 -0.25 0.00 0.48 0.00 0.00 55.95 57.90 3gut s SER 546 Cb 0.00 -2.53 -0.16 0.00 0.10 0.00 0.00 66.02 63.43 3gut s SER 546 CO 0.00 -0.77 2.45 -0.46 0.98 0.00 0.00 173.24 175.44 3gut n ASN 547 N -1.52 1.20 -4.55 7.02 0.23 -1.26 -4.80 115.26 111.58 3gut n ASN 547 Ca 0.08 -0.57 -0.48 0.00 -0.53 0.00 0.00 54.58 53.07 3gut n ASN 547 Cb 0.53 -1.30 -0.05 0.00 -2.08 0.00 0.00 39.78 36.88 3gut n ASN 547 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gut n LEU 548 N 13.87 2.79 -3.97 -4.53 4.77 -1.26 -4.87 117.00 123.80 3gut n LEU 548 Ca 0.50 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.85 3gut n LEU 548 Cb 0.34 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 39.93 3gut n LEU 548 CO 0.78 -0.55 -0.38 -0.75 -1.33 0.00 0.00 177.39 175.16 3gut s LYS 549 N 5.71 0.33 -0.66 3.23 2.20 -1.26 -3.92 119.74 125.36 3gut s LYS 549 Ca 1.03 -0.40 -0.17 0.00 -0.36 0.00 0.00 55.97 56.07 3gut s LYS 549 Cb -0.67 -0.16 0.14 0.00 -1.51 0.00 0.00 37.83 35.63 3gut s LYS 549 CO 0.46 0.03 0.68 0.42 -0.36 0.00 0.00 175.35 176.59 3gut s ILE 550 N -0.75 5.13 0.14 5.43 1.01 -1.26 -2.75 121.20 128.15 3gut s ILE 550 Ca -0.06 -1.56 -0.15 0.00 0.00 0.00 0.00 60.65 58.88 3gut s ILE 550 Cb -0.06 -4.46 0.01 0.00 0.01 0.00 0.00 42.46 37.96 3gut s ILE 550 CO -0.00 -1.05 1.71 0.58 0.00 0.00 0.00 174.94 176.18 3gut h VAL 551 N 5.64 1.19 -2.58 2.92 2.07 -1.85 -3.47 116.25 120.16 3gut h VAL 551 Ca -0.17 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3gut h VAL 551 Cb 1.08 0.75 -0.14 0.00 -1.52 0.00 0.00 31.29 31.46 3gut h VAL 551 CO 1.00 0.21 0.32 -0.60 0.02 0.00 0.00 177.57 178.52 3gut s ARG 552 N -5.65 1.07 -0.09 1.57 3.52 -1.25 -4.99 118.95 113.13 3gut s ARG 552 Ca -0.13 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.12 3gut s ARG 552 Cb 0.11 0.49 0.05 0.00 -1.56 0.00 0.00 34.95 34.03 3gut s ARG 552 CO 0.75 -0.45 0.19 -1.64 -0.81 0.00 0.00 175.30 173.34 3gut s MET 553 N -3.16 0.11 0.55 5.12 -1.94 -1.26 -1.91 119.30 116.82 3gut s MET 553 Ca 0.01 0.50 0.25 0.00 -1.71 0.00 0.00 55.69 54.74 3gut s MET 553 Cb -0.01 -0.17 1.56 0.00 2.01 0.00 0.00 34.83 38.23 3gut s MET 553 CO -0.09 -0.21 2.18 0.38 -0.01 0.00 0.00 175.02 177.27 3gut h ASP 554 N 7.61 0.00 -3.48 3.03 3.04 -1.56 -3.41 116.42 121.65 3gut h ASP 554 Ca -0.32 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 53.11 3gut h ASP 554 Cb 1.14 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.08 3gut h ASP 554 CO 0.31 0.03 -0.75 -0.60 -2.04 0.00 0.00 179.24 176.20 3gut s ARG 555 N -4.68 0.37 -0.24 4.15 6.06 -1.26 -5.03 118.95 118.32 3gut s ARG 555 Ca -0.05 0.06 0.11 0.00 -2.50 0.00 0.00 55.73 53.35 3gut s ARG 555 Cb 0.15 -0.55 0.46 0.00 0.06 0.00 0.00 34.95 35.08 3gut s ARG 555 CO 0.60 -0.14 1.34 0.25 -2.50 0.00 0.00 175.30 174.85 3gut n THR 556 N 4.18 2.36 -3.80 4.11 -2.24 -1.26 -4.99 114.28 112.64 3gut n THR 556 Ca -0.25 -2.86 -0.10 0.00 -2.27 0.00 0.00 64.05 58.57 3gut n THR 556 Cb 0.50 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 3gut n THR 556 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gut s ALA 557 N -3.20 -0.49 -0.18 6.98 0.00 -1.26 -2.19 121.76 121.43 3gut s ALA 557 Ca 0.41 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3gut s ALA 557 Cb 0.38 0.71 0.14 0.00 0.00 0.00 0.00 23.12 24.34 3gut s ALA 557 CO -0.02 -0.63 1.07 0.20 0.00 0.00 0.00 175.76 176.37 3gut s GLY 558 N -2.87 -0.21 0.64 0.00 0.00 0.15 -4.88 107.32 100.15 3gut s GLY 558 Ca 0.08 2.14 -0.17 0.00 0.00 0.00 0.00 44.72 46.78 3gut s GLY 558 CO -0.07 1.01 1.17 0.00 0.00 0.00 0.00 173.10 175.21 3gut h VAL 560 N 0.36 0.00 0.00 0.00 -1.51 -1.48 -1.68 116.25 111.93 3gut h VAL 560 Ca -0.48 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3gut h VAL 560 Cb 1.28 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3gut h VAL 560 CO 0.54 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.59 3gut h THR 561 N 0.00 0.00 -1.17 7.19 1.35 -1.88 -0.95 112.91 117.45 3gut h THR 561 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3gut h THR 561 Cb 0.29 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3gut h THR 561 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gut n GLY 562 N 0.95 0.02 1.09 5.82 0.00 -0.63 -4.49 105.19 107.96 3gut n GLY 562 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3gut n GLY 562 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 563 N 0.00 3.24 3.68 -0.02 0.00 0.76 -4.92 105.19 107.93 3gut n GLY 563 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3gut n GLY 563 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gut n GLU 564 N -2.00 1.68 -3.37 1.61 1.02 -1.26 -4.35 120.64 113.97 3gut n GLU 564 Ca 0.00 0.60 -0.38 0.00 -0.02 0.00 0.00 57.16 57.37 3gut n GLU 564 Cb 0.00 -2.31 -0.06 0.00 -0.02 0.00 0.00 31.44 29.04 3gut n GLU 564 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gut s GLU 565 N -2.31 4.32 -0.04 3.49 2.12 -1.26 -0.05 118.70 124.97 3gut s GLU 565 Ca 0.64 0.37 0.05 0.00 0.36 0.00 0.00 54.97 56.39 3gut s GLU 565 Cb -0.50 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.45 3gut s GLU 565 CO 0.56 0.17 -0.19 0.42 -0.54 0.00 0.00 175.26 175.68 3gut s ILE 566 N 0.59 1.59 -0.24 -3.70 1.09 0.42 -4.98 121.20 115.97 3gut s ILE 566 Ca 0.24 -0.81 -0.10 0.00 -1.10 0.00 0.00 60.65 58.87 3gut s ILE 566 Cb -0.15 -1.35 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 3gut s ILE 566 CO 0.09 0.45 0.16 -0.31 -0.10 0.00 0.00 174.94 175.23 3gut s TYR 567 N -0.10 3.32 -0.03 3.97 1.51 -1.26 -1.86 117.35 122.89 3gut s TYR 567 Ca -0.02 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 3gut s TYR 567 Cb -0.11 -2.26 0.03 0.00 -0.11 0.00 0.00 41.96 39.50 3gut s TYR 567 CO 0.02 0.07 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.35 3gut s LEU 568 N 1.03 1.18 0.45 -1.29 0.20 -1.05 -1.21 118.68 117.99 3gut s LEU 568 Ca 0.07 -0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.85 3gut s LEU 568 Cb -0.13 -0.28 -0.00 0.00 -0.43 0.00 0.00 46.19 45.34 3gut s LEU 568 CO 0.04 -0.09 0.67 -0.76 -0.29 0.00 0.00 176.35 175.92 3gut s LEU 569 N 1.03 3.65 0.00 -0.68 1.43 -0.80 -0.47 118.68 122.84 3gut s LEU 569 Ca -0.10 0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 3gut s LEU 569 Cb -0.14 -3.16 0.07 0.00 0.03 0.00 0.00 46.19 42.99 3gut s LEU 569 CO -0.01 -0.70 0.90 0.00 0.23 0.00 0.00 176.35 176.77 3gut s ASP 571 N -3.17 6.43 0.01 0.00 1.11 -1.11 -4.68 116.67 115.26 3gut s ASP 571 Ca 0.20 0.69 -0.10 0.00 0.18 0.00 0.00 52.55 53.52 3gut s ASP 571 Cb -0.03 -2.13 -0.05 0.00 1.07 0.00 0.00 42.92 41.77 3gut s ASP 571 CO 0.06 -0.21 0.24 1.17 1.18 0.00 0.00 175.17 177.62 3gut n LYS 572 N -1.02 0.00 -3.82 8.23 0.00 -1.26 -4.78 118.16 115.51 3gut n LYS 572 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.20 3gut n LYS 572 Cb 0.54 -0.36 -0.06 0.00 0.00 0.00 0.00 35.03 35.16 3gut n LYS 572 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3gut s VAL 573 N -0.06 0.07 -0.15 3.15 -7.23 -1.00 -4.90 120.40 110.27 3gut s VAL 573 Ca 0.22 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 3gut s VAL 573 Cb -0.31 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3gut s VAL 573 CO 0.15 -0.30 0.08 -1.58 -0.31 0.00 0.00 175.10 173.14 3gut s GLN 574 N -3.89 3.73 0.10 4.82 2.00 -1.26 -4.69 119.66 120.47 3gut s GLN 574 Ca 0.10 -0.28 -0.31 0.00 -2.00 0.00 0.00 55.36 52.88 3gut s GLN 574 Cb 0.02 -3.18 -0.12 0.00 0.80 0.00 0.00 33.01 30.53 3gut s GLN 574 CO -0.05 0.47 1.61 1.57 -0.50 0.00 0.00 175.29 178.39 3gut h LYS 575 N 6.02 -0.68 0.00 1.67 2.10 -1.91 -2.49 116.57 121.27 3gut h LYS 575 Ca -0.44 0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3gut h LYS 575 Cb 1.18 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 3gut h LYS 575 CO 0.66 -0.45 0.00 -0.44 -2.00 0.00 0.00 179.45 177.22 3gut h ASP 576 N -0.70 0.00 -1.99 7.07 3.32 -1.95 -3.30 116.42 118.86 3gut h ASP 576 Ca -0.01 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.33 3gut h ASP 576 Cb 0.66 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.88 3gut h ASP 576 CO -0.10 0.00 0.37 -0.67 -1.72 0.00 0.00 179.24 177.12 3gut n ASP 577 N -2.64 6.35 -3.54 6.45 2.03 -0.94 -4.96 116.55 119.30 3gut n ASP 577 Ca 0.02 -3.75 -0.16 0.00 0.52 0.00 0.00 54.79 51.42 3gut n ASP 577 Cb 0.32 -0.87 -0.06 0.00 -0.72 0.00 0.00 41.12 39.79 3gut n ASP 577 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3gut s ILE 578 N -4.91 0.00 0.02 5.18 2.07 -1.23 -4.05 121.20 118.28 3gut s ILE 578 Ca 0.47 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.68 3gut s ILE 578 Cb 0.34 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 3gut s ILE 578 CO -0.25 0.00 0.04 -1.10 -1.91 0.00 0.00 174.94 171.71 3gut s GLN 579 N -0.95 0.45 -0.25 3.50 -0.21 -0.90 -4.95 119.66 116.35 3gut s GLN 579 Ca -0.08 -0.67 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 3gut s GLN 579 Cb -0.01 0.17 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 3gut s GLN 579 CO 0.07 -0.09 0.09 0.42 -2.12 0.00 0.00 175.29 173.66 3gut s ILE 580 N -2.00 4.45 -0.31 1.08 1.09 -1.26 -0.74 121.20 123.51 3gut s ILE 580 Ca -0.10 -0.12 -0.06 0.00 -1.10 0.00 0.00 60.65 59.26 3gut s ILE 580 Cb -0.05 -3.09 0.03 0.00 -1.06 0.00 0.00 42.46 38.29 3gut s ILE 580 CO -0.02 0.33 0.07 -0.60 -0.10 0.00 0.00 174.94 174.62 3gut s ARG 581 N 1.61 2.81 0.30 2.79 3.52 0.14 -1.60 118.95 128.53 3gut s ARG 581 Ca 0.06 -1.04 -0.09 0.00 -0.13 0.00 0.00 55.73 54.53 3gut s ARG 581 Cb -0.15 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.81 3gut s ARG 581 CO 0.05 -0.55 0.63 -0.06 -0.81 0.00 0.00 175.30 174.55 3gut s PHE 582 N 1.42 3.45 -0.06 5.12 0.40 0.43 -1.72 117.98 127.02 3gut s PHE 582 Ca -0.00 0.89 -0.32 0.00 -0.60 0.00 0.00 56.93 56.90 3gut s PHE 582 Cb -0.18 -2.29 0.13 0.00 0.51 0.00 0.00 43.02 41.18 3gut s PHE 582 CO 0.02 0.12 1.29 1.52 0.70 0.00 0.00 175.22 178.87 3gut s TYR 583 N -2.06 -0.05 -0.27 0.36 -0.85 -0.08 -1.40 117.35 113.00 3gut s TYR 583 Ca 0.48 -0.03 -0.25 0.00 -0.52 0.00 0.00 57.07 56.75 3gut s TYR 583 Cb -0.11 0.54 0.08 0.00 0.38 0.00 0.00 41.96 42.84 3gut s TYR 583 CO 0.26 -0.23 0.75 -2.00 -1.52 0.00 0.00 175.55 172.82 3gut s GLU 584 N -2.37 0.80 0.10 -3.49 2.12 -1.08 0.29 118.70 115.07 3gut s GLU 584 Ca 0.13 0.96 -0.31 0.00 0.36 0.00 0.00 54.97 56.11 3gut s GLU 584 Cb 0.04 0.39 -0.10 0.00 0.26 0.00 0.00 34.13 34.72 3gut s GLU 584 CO -0.04 -0.10 1.83 -2.00 -0.54 0.00 0.00 175.26 174.41 3gut s GLU 585 N 0.36 4.14 0.40 4.30 2.56 -1.26 -2.26 118.70 126.95 3gut s GLU 585 Ca 0.00 2.56 -0.03 0.00 0.00 0.00 0.00 54.97 57.51 3gut s GLU 585 Cb -0.05 -3.69 0.09 0.00 2.00 0.00 0.00 34.13 32.47 3gut s GLU 585 CO 0.00 -0.85 0.55 -1.91 -0.56 0.00 0.00 175.26 172.50 3gut n GLU 586 N 5.99 -0.07 -0.04 4.30 4.07 0.11 -4.94 120.64 130.05 3gut n GLU 586 Ca 0.18 -1.23 -0.14 0.00 -0.06 0.00 0.00 57.16 55.91 3gut n GLU 586 Cb 0.39 -0.45 -0.12 0.00 -0.06 0.00 0.00 31.44 31.19 3gut n GLU 586 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3gut h GLU 587 N 0.00 0.05 0.00 5.31 4.57 -1.95 -3.30 114.58 119.27 3gut h GLU 587 Ca -0.18 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3gut h GLU 587 Cb 0.60 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3gut h GLU 587 CO 0.17 0.92 0.00 0.27 -1.18 0.00 0.00 179.01 179.18 3gut n ASN 588 N -4.60 0.00 0.00 1.04 0.23 -1.26 -4.83 115.26 105.85 3gut n ASN 588 Ca -0.10 -0.45 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 3gut n ASN 588 Cb 0.47 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3gut n ASN 588 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gut n GLY 589 N 0.04 3.26 2.28 4.83 0.00 -1.24 -5.06 105.19 109.30 3gut n GLY 589 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3gut n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 590 N -1.43 -2.02 2.95 -0.02 0.00 -1.26 -4.63 105.19 98.78 3gut n GLY 590 Ca 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3gut n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gut s VAL 591 N -2.51 0.29 -0.20 1.61 0.11 -1.26 0.06 120.40 118.50 3gut s VAL 591 Ca 0.45 -0.36 -0.25 0.00 -2.93 0.00 0.00 61.98 58.90 3gut s VAL 591 Cb -0.03 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3gut s VAL 591 CO 0.33 -0.05 0.85 0.86 -3.33 0.00 0.00 175.10 173.77 3gut s TRP 592 N -0.40 3.37 -0.10 1.54 -0.00 -0.96 -4.93 118.94 117.47 3gut s TRP 592 Ca -0.02 1.24 0.00 0.00 -0.00 0.00 0.00 56.10 57.32 3gut s TRP 592 Cb -0.03 -3.05 -0.02 0.00 -0.00 0.00 0.00 33.47 30.36 3gut s TRP 592 CO -0.00 -0.32 -0.09 -2.00 -0.00 0.00 0.00 176.95 174.54 3gut s GLU 593 N 2.50 3.07 -0.07 5.86 2.12 -1.26 -2.64 118.70 128.28 3gut s GLU 593 Ca 0.38 -0.60 -0.10 0.00 0.36 0.00 0.00 54.97 55.01 3gut s GLU 593 Cb -0.16 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.62 3gut s GLU 593 CO 0.10 0.46 0.25 0.20 -0.54 0.00 0.00 175.26 175.73 3gut s GLY 594 N -0.26 -0.15 0.35 -1.50 0.00 -0.49 -4.99 107.32 100.28 3gut s GLY 594 Ca 0.03 0.52 0.09 0.00 0.00 0.00 0.00 44.72 45.36 3gut s GLY 594 CO 0.03 0.39 -0.03 -1.36 0.00 0.00 0.00 173.10 172.12 3gut s PHE 595 N -0.39 2.48 0.18 1.90 0.40 -1.26 0.16 117.98 121.45 3gut s PHE 595 Ca -0.05 -0.49 -0.20 0.00 -0.60 0.00 0.00 56.93 55.59 3gut s PHE 595 Cb -0.03 -1.47 -0.08 0.00 0.51 0.00 0.00 43.02 41.94 3gut s PHE 595 CO 0.01 0.52 0.69 0.20 0.70 0.00 0.00 175.22 177.34 3gut s GLY 596 N -3.67 2.67 -0.24 4.36 0.00 -0.62 -3.67 107.32 106.15 3gut s GLY 596 Ca 0.34 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 45.06 3gut s GLY 596 CO 0.18 0.55 0.37 -0.35 0.00 0.00 0.00 173.10 173.85 3gut s ASP 597 N -1.46 6.33 -0.23 1.64 2.15 -0.46 -4.74 116.67 119.90 3gut s ASP 597 Ca 0.38 0.38 -0.34 0.00 0.43 0.00 0.00 52.55 53.41 3gut s ASP 597 Cb -0.18 -2.21 0.15 0.00 -0.30 0.00 0.00 42.92 40.38 3gut s ASP 597 CO 0.22 -0.12 1.25 0.72 -0.17 0.00 0.00 175.17 177.06 3gut s PHE 598 N 1.68 -0.11 0.21 -5.34 -0.12 -1.26 -0.34 117.98 112.70 3gut s PHE 598 Ca 0.16 0.11 0.11 0.00 -0.05 0.00 0.00 56.93 57.26 3gut s PHE 598 Cb -0.15 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 3gut s PHE 598 CO 0.09 -0.15 -0.21 0.45 -0.05 0.00 0.00 175.22 175.35 3gut s SER 599 N -1.80 3.22 0.61 1.98 0.15 -1.26 -4.99 113.70 111.61 3gut s SER 599 Ca 0.09 -0.91 0.24 0.00 0.70 0.00 0.00 55.95 56.07 3gut s SER 599 Cb -0.01 -0.23 0.84 0.00 -1.71 0.00 0.00 66.02 64.91 3gut s SER 599 CO -0.04 0.05 1.27 -2.65 1.20 0.00 0.00 173.24 173.06 3gut n PRO 600 N 0.04 0.02 0.13 5.44 -0.02 -1.26 0.24 135.00 139.58 3gut n PRO 600 Ca -0.11 1.02 0.01 0.00 -2.02 0.00 0.00 63.50 62.40 3gut n PRO 600 Cb 0.57 -2.54 0.06 0.00 -0.02 0.00 0.00 33.50 31.57 3gut n PRO 600 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gut h THR 601 N 0.00 1.04 0.00 3.45 1.35 -1.95 -3.00 112.91 113.80 3gut h THR 601 Ca 0.46 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3gut h THR 601 Cb 2.87 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 71.70 3gut h THR 601 CO -0.00 0.57 0.00 0.47 -0.25 0.00 0.00 175.52 176.30 3gut n ASP 602 N -3.32 0.00 -4.45 5.36 9.92 0.66 -4.48 116.55 120.24 3gut n ASP 602 Ca 0.01 0.47 -0.44 0.00 -0.53 0.00 0.00 54.79 54.30 3gut n ASP 602 Cb 0.73 -0.49 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 3gut n ASP 602 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gut s VAL 603 N -2.98 4.85 -0.27 2.53 1.01 -1.13 -2.63 120.40 121.78 3gut s VAL 603 Ca 0.10 -1.92 -0.28 0.00 0.00 0.00 0.00 61.98 59.88 3gut s VAL 603 Cb 0.12 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 3gut s VAL 603 CO 0.34 -1.52 2.14 -2.28 0.00 0.00 0.00 175.10 173.78 3gut s HIS 604 N 2.26 1.30 -0.65 5.22 2.46 -0.59 -3.90 115.29 121.38 3gut s HIS 604 Ca 0.35 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.53 3gut s HIS 604 Cb -0.04 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 3gut s HIS 604 CO -0.07 -3.69 0.00 0.54 -2.47 0.00 0.00 174.74 169.05 3gut n ARG 605 N 8.72 -2.46 0.00 2.88 5.12 -1.26 -1.40 116.66 128.26 3gut n ARG 605 Ca 0.29 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.58 3gut n ARG 605 Cb 0.46 -4.91 0.00 0.00 -1.16 0.00 0.00 32.46 26.85 3gut n ARG 605 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3gut n GLN 606 N -2.63 0.00 0.00 5.56 3.00 -1.25 -4.81 117.38 117.24 3gut n GLN 606 Ca -0.09 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.97 3gut n GLN 606 Cb 0.55 -1.72 -0.05 0.00 0.00 0.00 0.00 30.24 29.02 3gut n GLN 606 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3gut n PHE 607 N -1.96 0.00 -4.00 1.08 3.72 -0.49 -2.37 117.46 113.44 3gut n PHE 607 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3gut n PHE 607 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 3gut n PHE 607 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gut s ALA 608 N -2.11 0.23 -0.07 4.37 0.00 -0.95 0.98 121.76 124.21 3gut s ALA 608 Ca 0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 3gut s ALA 608 Cb 0.11 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.98 3gut s ALA 608 CO 0.50 -0.54 0.13 0.42 0.00 0.00 0.00 175.76 176.26 3gut s ILE 609 N -3.96 -0.20 -0.29 0.00 1.01 0.38 -1.54 121.20 116.61 3gut s ILE 609 Ca 0.15 0.36 -0.13 0.00 0.00 0.00 0.00 60.65 61.02 3gut s ILE 609 Cb 0.05 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3gut s ILE 609 CO -0.03 0.15 0.29 -0.69 0.00 0.00 0.00 174.94 174.65 3gut s VAL 610 N 2.12 5.24 0.38 2.92 1.01 -1.08 -2.52 120.40 128.46 3gut s VAL 610 Ca 0.02 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.33 3gut s VAL 610 Cb -0.12 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3gut s VAL 610 CO -0.05 0.14 0.22 2.22 0.00 0.00 0.00 175.10 177.64 3gut n PHE 611 N 5.21 -0.35 -4.36 5.22 -1.74 -0.78 -4.75 117.46 115.91 3gut n PHE 611 Ca -0.11 -2.79 -0.30 0.00 -0.56 0.00 0.00 57.45 53.69 3gut n PHE 611 Cb 0.51 0.15 -0.17 0.00 1.52 0.00 0.00 39.48 41.50 3gut n PHE 611 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3gut s LYS 612 N -3.49 2.43 0.39 3.97 1.02 0.54 -0.43 119.74 124.15 3gut s LYS 612 Ca 0.31 -0.63 -0.24 0.00 0.02 0.00 0.00 55.97 55.44 3gut s LYS 612 Cb 0.02 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 35.12 3gut s LYS 612 CO 0.22 -0.11 0.68 2.41 -0.92 0.00 0.00 175.35 177.64 3gut n THR 613 N 4.35 1.94 -3.04 2.17 -1.04 0.92 -1.36 114.28 118.23 3gut n THR 613 Ca -0.19 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.03 3gut n THR 613 Cb 0.51 -0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 3gut n THR 613 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3gut s PRO 614 N -1.62 3.71 0.13 -2.82 0.04 -1.24 -0.17 135.00 133.04 3gut s PRO 614 Ca 0.63 0.27 -0.31 0.00 0.04 0.00 0.00 61.00 61.63 3gut s PRO 614 Cb -0.63 -2.49 -0.09 0.00 0.04 0.00 0.00 34.50 31.33 3gut s PRO 614 CO 0.58 0.06 1.45 0.15 0.04 0.00 0.00 177.00 179.27 3gut s LYS 615 N -3.75 4.29 0.78 4.56 3.01 -1.26 -4.39 119.74 122.97 3gut s LYS 615 Ca 0.48 2.17 -0.12 0.00 -1.01 0.00 0.00 55.97 57.49 3gut s LYS 615 Cb -0.10 -3.21 0.07 0.00 -1.01 0.00 0.00 37.83 33.57 3gut s LYS 615 CO 0.31 -0.49 1.14 -0.47 0.51 0.00 0.00 175.35 176.35 3gut s TYR 616 N 1.08 2.19 0.50 3.18 5.04 -0.36 -4.90 117.35 124.08 3gut s TYR 616 Ca 0.66 1.64 0.24 0.00 -2.44 0.00 0.00 57.07 57.16 3gut s TYR 616 Cb -0.39 -3.25 1.32 0.00 0.35 0.00 0.00 41.96 39.98 3gut s TYR 616 CO 0.31 -2.26 1.96 1.57 -1.34 0.00 0.00 175.55 175.79 3gut h LYS 617 N -0.96 0.11 -3.00 4.97 2.10 -1.93 -3.35 116.57 114.50 3gut h LYS 617 Ca -0.45 -0.01 -0.57 0.00 -2.00 0.00 0.00 60.65 57.63 3gut h LYS 617 Cb 1.26 -0.02 -0.40 0.00 -0.90 0.00 0.00 32.23 32.17 3gut h LYS 617 CO 0.49 0.07 -0.78 0.34 -2.00 0.00 0.00 179.45 177.56 3gut s ASP 618 N -6.07 3.58 0.00 7.07 2.15 -1.26 -4.99 116.67 117.15 3gut s ASP 618 Ca -0.06 -1.74 0.12 0.00 0.43 0.00 0.00 52.55 51.30 3gut s ASP 618 Cb 0.20 -0.59 0.62 0.00 -0.30 0.00 0.00 42.92 42.85 3gut s ASP 618 CO 0.75 -0.39 1.22 1.33 -0.17 0.00 0.00 175.17 177.91 3gut n VAL 619 N 4.68 0.46 -1.64 1.11 0.24 -1.26 -3.39 118.33 118.52 3gut n VAL 619 Ca 0.01 0.11 0.03 0.00 -2.04 0.00 0.00 64.34 62.45 3gut n VAL 619 Cb 0.40 -0.93 0.19 0.00 -1.47 0.00 0.00 33.84 32.03 3gut n VAL 619 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3gut n ASN 620 N -1.18 2.03 -4.51 -1.34 0.23 -1.26 -4.76 115.26 104.47 3gut n ASN 620 Ca 0.07 -3.89 -0.29 0.00 -0.53 0.00 0.00 54.58 49.93 3gut n ASN 620 Cb 0.07 -0.51 0.19 0.00 -2.08 0.00 0.00 39.78 37.45 3gut n ASN 620 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3gut s ILE 621 N -3.38 1.92 -0.15 1.53 -0.00 -1.22 -4.96 121.20 114.95 3gut s ILE 621 Ca 0.39 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 61.13 3gut s ILE 621 Cb 0.37 -2.49 -0.11 0.00 -0.00 0.00 0.00 42.46 40.23 3gut s ILE 621 CO -0.06 0.00 0.25 0.35 -0.00 0.00 0.00 174.94 175.48 3gut n THR 622 N -4.33 0.00 -4.53 8.37 -2.24 -1.26 -4.82 114.28 105.48 3gut n THR 622 Ca 0.07 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 3gut n THR 622 Cb 0.58 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 3gut n THR 622 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gut s LYS 623 N -2.27 1.38 0.64 -0.78 -0.14 -1.26 -4.84 119.74 112.46 3gut s LYS 623 Ca -0.01 -1.12 -0.18 0.00 -1.36 0.00 0.00 55.97 53.31 3gut s LYS 623 Cb 0.06 -1.63 -0.01 0.00 -1.68 0.00 0.00 37.83 34.57 3gut s LYS 623 CO 0.34 0.40 1.25 -1.25 -0.76 0.00 0.00 175.35 175.34 3gut s PRO 624 N -1.58 2.66 0.01 -1.68 0.04 -1.26 -4.74 135.00 128.45 3gut s PRO 624 Ca 0.09 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.11 3gut s PRO 624 Cb -0.10 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 3gut s PRO 624 CO 0.03 -1.48 -0.11 0.00 0.04 0.00 0.00 177.00 175.48 3gut s ALA 625 N -1.54 0.90 -0.16 8.56 0.00 -0.07 -4.99 121.76 124.46 3gut s ALA 625 Ca 0.80 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 3gut s ALA 625 Cb -0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 3gut s ALA 625 CO 0.38 0.18 0.16 -1.12 0.00 0.00 0.00 175.76 175.36 3gut s SER 626 N -0.67 6.32 0.00 0.00 0.01 -1.26 -0.80 113.70 117.30 3gut s SER 626 Ca 0.02 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.65 3gut s SER 626 Cb -0.06 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.07 3gut s SER 626 CO 0.00 0.26 0.00 1.33 0.41 0.00 0.00 173.24 175.24 3gut n VAL 627 N 2.91 0.00 -4.35 3.43 0.24 -0.17 -4.98 118.33 115.40 3gut n VAL 627 Ca -0.17 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.92 3gut n VAL 627 Cb 0.53 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.79 3gut n VAL 627 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3gut s PHE 628 N -0.68 1.83 -0.05 6.34 0.08 0.14 -2.17 117.98 123.46 3gut s PHE 628 Ca 0.00 -0.49 -0.02 0.00 0.12 0.00 0.00 56.93 56.53 3gut s PHE 628 Cb 0.00 -0.87 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3gut s PHE 628 CO 0.00 0.38 0.12 0.54 -0.10 0.00 0.00 175.22 176.16 3gut s VAL 629 N -2.43 -0.04 0.26 -0.44 0.11 -0.62 -0.90 120.40 116.33 3gut s VAL 629 Ca 0.20 0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.34 3gut s VAL 629 Cb -0.04 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 3gut s VAL 629 CO 0.07 0.06 0.35 0.00 -3.33 0.00 0.00 175.10 172.26 3gut s GLN 630 N 0.92 1.52 0.55 1.54 -2.07 -0.70 -2.11 119.66 119.32 3gut s GLN 630 Ca -0.07 -1.53 0.07 0.00 -1.82 0.00 0.00 55.36 52.01 3gut s GLN 630 Cb -0.09 0.39 0.07 0.00 -1.09 0.00 0.00 33.01 32.28 3gut s GLN 630 CO -0.04 -0.59 0.76 -0.51 -1.32 0.00 0.00 175.29 173.58 3gut s LEU 631 N -3.13 3.25 -0.30 2.60 1.43 -1.26 0.27 118.68 121.53 3gut s LEU 631 Ca 0.31 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3gut s LEU 631 Cb 0.02 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.37 3gut s LEU 631 CO 0.14 -1.24 1.00 -0.60 0.23 0.00 0.00 176.35 175.88 3gut s ARG 632 N -4.65 0.29 0.21 1.70 3.52 0.08 -3.31 118.95 116.79 3gut s ARG 632 Ca 0.60 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 3gut s ARG 632 Cb -0.07 0.40 -0.09 0.00 -1.56 0.00 0.00 34.95 33.63 3gut s ARG 632 CO 0.38 -0.09 1.30 1.03 -0.81 0.00 0.00 175.30 177.11 3gut s ARG 633 N 2.35 4.39 -0.02 5.12 0.52 -0.88 -2.12 118.95 128.31 3gut s ARG 633 Ca -0.03 2.06 -0.12 0.00 -0.52 0.00 0.00 55.73 57.12 3gut s ARG 633 Cb -0.06 -3.19 -0.07 0.00 0.52 0.00 0.00 34.95 32.16 3gut s ARG 633 CO -0.17 -0.24 0.63 0.87 0.02 0.00 0.00 175.30 176.41 3gut h LYS 634 N 5.20 -0.41 -0.43 3.54 1.57 -1.92 0.25 116.57 124.36 3gut h LYS 634 Ca -0.45 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.46 3gut h LYS 634 Cb 1.22 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 3gut h LYS 634 CO 0.76 -0.27 -0.04 -1.13 -0.57 0.00 0.00 179.45 178.20 3gut n SER 635 N -4.21 -0.09 0.00 0.86 3.41 -1.26 -1.44 113.62 110.89 3gut n SER 635 Ca -0.05 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3gut n SER 635 Cb 0.17 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3gut n SER 635 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gut n ASP 636 N -4.55 1.05 -2.24 4.04 5.75 -1.24 -5.02 116.55 114.34 3gut n ASP 636 Ca 0.09 -1.51 -0.10 0.00 -0.01 0.00 0.00 54.79 53.26 3gut n ASP 636 Cb 0.29 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 3gut n ASP 636 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gut n LEU 637 N -0.25 -0.92 -4.80 -2.12 4.77 0.89 -4.94 117.00 109.63 3gut n LEU 637 Ca 0.00 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.85 3gut n LEU 637 Cb 0.35 -1.90 -0.06 0.00 -2.33 0.00 0.00 43.42 39.48 3gut n LEU 637 CO 0.00 -0.19 0.43 -1.61 -1.33 0.00 0.00 177.39 174.69 3gut s GLU 638 N -4.62 4.36 0.35 3.23 0.41 -1.25 -4.82 118.70 116.36 3gut s GLU 638 Ca 0.00 0.96 0.09 0.00 -0.41 0.00 0.00 54.97 55.61 3gut s GLU 638 Cb 0.00 -3.06 -0.06 0.00 -1.78 0.00 0.00 34.13 29.23 3gut s GLU 638 CO 0.00 0.49 -0.05 0.95 -0.49 0.00 0.00 175.26 176.16 3gut s THR 639 N -1.34 2.29 0.32 3.63 -4.23 -1.26 -2.06 115.64 112.99 3gut s THR 639 Ca 0.39 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3gut s THR 639 Cb -0.19 -2.74 0.07 0.00 1.34 0.00 0.00 72.50 70.98 3gut s THR 639 CO 0.23 -0.17 0.43 -1.54 -0.54 0.00 0.00 174.62 173.03 3gut n SER 640 N -0.86 0.22 -4.70 3.99 3.41 -1.21 -4.73 113.62 109.74 3gut n SER 640 Ca -0.05 -1.27 -0.41 0.00 -0.26 0.00 0.00 58.87 56.88 3gut n SER 640 Cb 0.64 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 3gut n SER 640 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3gut s GLU 641 N -3.78 4.43 -0.44 4.33 1.03 -1.26 -4.78 118.70 118.23 3gut s GLU 641 Ca 0.26 1.14 -0.45 0.00 0.03 0.00 0.00 54.97 55.96 3gut s GLU 641 Cb -0.01 -3.50 -0.19 0.00 -0.80 0.00 0.00 34.13 29.63 3gut s GLU 641 CO 0.18 -0.14 1.70 -2.30 -1.33 0.00 0.00 175.26 173.37 3gut n PRO 642 N 4.41 0.34 -4.24 -4.83 -0.02 -1.26 -4.82 135.00 124.59 3gut n PRO 642 Ca 0.04 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 3gut n PRO 642 Cb 0.50 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.14 3gut n PRO 642 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gut s LYS 643 N 3.49 3.16 0.30 -0.52 2.20 -0.90 -4.91 119.74 122.56 3gut s LYS 643 Ca 1.05 -0.76 -0.28 0.00 -0.36 0.00 0.00 55.97 55.62 3gut s LYS 643 Cb -1.37 -2.69 -0.14 0.00 -1.51 0.00 0.00 37.83 32.13 3gut s LYS 643 CO 0.75 -0.12 1.05 -2.30 -0.36 0.00 0.00 175.35 174.37 3gut n PRO 644 N 4.44 1.46 -3.85 4.03 -0.02 -1.26 -1.59 135.00 138.21 3gut n PRO 644 Ca -0.20 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 3gut n PRO 644 Cb 0.51 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 3gut n PRO 644 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gut s PHE 645 N -1.07 -0.06 -0.18 6.00 2.19 -0.92 -4.85 117.98 119.08 3gut s PHE 645 Ca 0.58 0.14 0.01 0.00 0.33 0.00 0.00 56.93 57.98 3gut s PHE 645 Cb -0.68 0.00 0.01 0.00 -1.31 0.00 0.00 43.02 41.05 3gut s PHE 645 CO 0.60 -0.18 -0.18 -1.17 1.83 0.00 0.00 175.22 176.12 3gut s LEU 646 N -0.65 2.25 -0.23 6.12 1.98 -0.93 -1.00 118.68 126.21 3gut s LEU 646 Ca -0.07 -0.60 -0.15 0.00 -2.89 0.00 0.00 54.13 50.41 3gut s LEU 646 Cb -0.04 -1.51 -0.04 0.00 0.66 0.00 0.00 46.19 45.25 3gut s LEU 646 CO 0.01 0.01 0.39 -0.31 -1.89 0.00 0.00 176.35 174.56 3gut s TYR 647 N 1.22 3.32 0.20 5.38 2.02 0.02 0.35 117.35 129.85 3gut s TYR 647 Ca 0.03 0.53 0.10 0.00 -0.37 0.00 0.00 57.07 57.36 3gut s TYR 647 Cb -0.14 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 3gut s TYR 647 CO -0.09 -0.10 -0.15 1.52 -1.57 0.00 0.00 175.55 175.15 3gut s TYR 648 N 1.64 2.48 1.08 2.71 -0.85 0.52 -0.89 117.35 124.05 3gut s TYR 648 Ca 0.17 -0.28 -0.14 0.00 -0.52 0.00 0.00 57.07 56.30 3gut s TYR 648 Cb -0.15 -1.20 0.23 0.00 0.38 0.00 0.00 41.96 41.22 3gut s TYR 648 CO 0.08 0.54 1.09 -1.25 -1.52 0.00 0.00 175.55 174.49 3gut s PRO 649 N -2.91 -0.24 0.00 -3.49 0.04 -1.26 -1.26 135.00 125.87 3gut s PRO 649 Ca 0.24 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.66 3gut s PRO 649 Cb -0.08 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3gut s PRO 649 CO 0.14 -3.15 0.00 -1.91 0.04 0.00 0.00 177.00 172.11