#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4a s VAL 360 N 0.00 4.28 0.56 12.58 1.01 -1.26 -5.08 120.40 132.50 2x4a s VAL 360 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2x4a s VAL 360 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2x4a s VAL 360 CO 0.00 0.11 1.08 -2.84 0.00 0.00 0.00 175.10 173.45 2x4a s PRO 361 N -2.39 3.38 0.23 2.72 0.02 -1.26 -4.72 135.00 132.99 2x4a s PRO 361 Ca 0.28 1.38 -0.21 0.00 0.02 0.00 0.00 61.00 62.47 2x4a s PRO 361 Cb -0.12 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 2x4a s PRO 361 CO 0.20 -0.78 0.75 -0.51 -0.33 0.00 0.00 177.00 176.34 2x4a s LEU 362 N -4.10 4.35 -0.08 -5.54 1.43 0.19 -4.57 118.68 110.36 2x4a s LEU 362 Ca 0.67 1.48 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 2x4a s LEU 362 Cb -0.19 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.41 2x4a s LEU 362 CO 0.30 0.02 -0.18 -0.63 0.23 0.00 0.00 176.35 176.10 2x4a s ILE 363 N -1.53 1.57 -0.30 -0.59 1.01 -0.95 -1.61 121.20 118.80 2x4a s ILE 363 Ca 0.44 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 2x4a s ILE 363 Cb -0.17 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2x4a s ILE 363 CO 0.21 0.45 0.07 -0.76 0.00 0.00 0.00 174.94 174.92 2x4a s LEU 364 N 0.56 3.91 -0.02 2.97 1.43 -0.43 -0.82 118.68 126.27 2x4a s LEU 364 Ca -0.16 -0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 51.84 2x4a s LEU 364 Cb -0.17 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2x4a s LEU 364 CO 0.05 -0.22 0.83 -0.76 0.23 0.00 0.00 176.35 176.48 2x4a s LEU 365 N 1.46 4.36 0.13 1.79 1.43 -0.35 -1.52 118.68 125.97 2x4a s LEU 365 Ca 0.01 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2x4a s LEU 365 Cb -0.18 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2x4a s LEU 365 CO 0.02 -0.16 -0.09 0.68 0.23 0.00 0.00 176.35 177.03 2x4a s VAL 366 N 0.76 1.02 0.31 -1.59 -7.23 0.30 -1.70 120.40 112.28 2x4a s VAL 366 Ca 0.44 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 2x4a s VAL 366 Cb -0.20 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 2x4a s VAL 366 CO 0.23 -0.76 1.22 -2.84 -0.31 0.00 0.00 175.10 172.64 2x4a s PRO 367 N -3.65 4.48 0.25 4.82 0.02 -1.25 -0.31 135.00 139.35 2x4a s PRO 367 Ca 0.14 2.04 -0.08 0.00 0.02 0.00 0.00 61.00 63.12 2x4a s PRO 367 Cb 0.03 -3.12 0.43 0.00 0.02 0.00 0.00 34.50 31.85 2x4a s PRO 367 CO -0.01 -0.02 1.62 -0.22 -0.33 0.00 0.00 177.00 178.03 2x4a h LYS 368 N 3.62 0.06 0.00 5.54 3.64 -1.87 -0.68 116.57 126.88 2x4a h LYS 368 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2x4a h LYS 368 Cb 1.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2x4a h LYS 368 CO 0.66 0.04 0.00 0.66 -2.27 0.00 0.00 179.45 178.54 2x4a h SER 369 N 0.06 0.00 0.00 4.20 4.64 -1.95 -2.78 113.55 117.71 2x4a h SER 369 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2x4a h SER 369 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2x4a h SER 369 CO -0.74 0.00 -0.72 0.54 -0.87 0.00 0.00 176.83 175.04 2x4a n ARG 370 N -2.56 2.72 -0.03 4.77 5.12 -0.29 -4.74 116.66 121.65 2x4a n ARG 370 Ca -0.01 -0.02 -0.08 0.00 -1.93 0.00 0.00 57.85 55.81 2x4a n ARG 370 Cb 0.13 -1.08 -0.02 0.00 -1.16 0.00 0.00 32.46 30.33 2x4a n ARG 370 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2x4a h ARG 371 N 0.00 -0.18 -0.39 5.56 9.65 -1.20 -2.39 114.38 125.44 2x4a h ARG 371 Ca 0.00 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 2x4a h ARG 371 Cb 0.32 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.85 2x4a h ARG 371 CO 0.00 -0.12 -0.35 1.49 2.80 0.00 0.00 179.97 183.79 2x4a h GLU 372 N -0.19 -0.27 -0.81 0.20 4.81 -1.85 -0.27 114.58 116.20 2x4a h GLU 372 Ca 0.12 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2x4a h GLU 372 Cb 0.37 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2x4a h GLU 372 CO -0.31 -0.18 0.53 -0.44 -0.73 0.00 0.00 179.01 177.89 2x4a h ASP 373 N -0.28 0.85 0.09 1.04 3.32 -1.79 0.26 116.42 119.92 2x4a h ASP 373 Ca 0.16 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2x4a h ASP 373 Cb 0.55 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2x4a h ASP 373 CO -0.54 0.58 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.45 2x4a h LEU 374 N 0.98 -0.10 -0.79 1.55 3.38 -0.73 0.74 115.31 120.34 2x4a h LEU 374 Ca 0.33 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 58.04 2x4a h LEU 374 Cb 0.07 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.71 2x4a h LEU 374 CO -0.10 0.35 -0.37 -0.33 0.09 0.00 0.00 178.44 178.09 2x4a h GLU 375 N -0.59 -0.08 -0.15 1.13 4.39 -1.05 -0.85 114.58 117.37 2x4a h GLU 375 Ca -0.01 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2x4a h GLU 375 Cb 0.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2x4a h GLU 375 CO 0.02 -0.05 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.42 2x4a h LYS 376 N -0.08 0.25 0.00 2.33 3.64 -0.45 -0.06 116.57 122.20 2x4a h LYS 376 Ca 0.29 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2x4a h LYS 376 Cb 0.57 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2x4a h LYS 376 CO -0.83 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 176.78 2x4a n ALA 377 N -2.49 2.30 -3.63 5.00 0.00 0.25 -4.94 120.51 117.02 2x4a n ALA 377 Ca -0.01 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2x4a n ALA 377 Cb 0.31 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.35 2x4a n ALA 377 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2x4a n GLN 378 N -1.65 -5.99 -0.16 0.00 6.02 -0.04 -4.90 117.38 110.67 2x4a n GLN 378 Ca 0.07 0.72 -0.02 0.00 -0.01 0.00 0.00 57.00 57.75 2x4a n GLN 378 Cb 0.35 -5.55 0.06 0.00 1.02 0.00 0.00 30.24 26.13 2x4a n GLN 378 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2x4a h LEU 379 N -2.03 -0.13 -0.19 1.08 5.85 -1.71 -1.62 115.31 116.56 2x4a h LEU 379 Ca -0.59 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.27 2x4a h LEU 379 Cb 1.36 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.49 2x4a h LEU 379 CO 0.56 -0.04 -0.50 0.00 -0.34 0.00 0.00 178.44 178.12 2x4a h ALA 380 N 1.42 -0.76 0.07 1.25 0.00 -1.87 -1.18 119.26 118.20 2x4a h ALA 380 Ca 0.25 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.87 2x4a h ALA 380 Cb 0.36 0.96 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2x4a h ALA 380 CO -0.38 -1.02 -1.11 0.93 0.00 0.00 0.00 179.25 177.67 2x4a h GLU 381 N -0.52 0.41 -0.43 0.00 4.39 -1.85 -3.10 114.58 113.48 2x4a h GLU 381 Ca 0.06 -0.54 -0.04 0.00 0.34 0.00 0.00 59.36 59.18 2x4a h GLU 381 Cb 0.65 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2x4a h GLU 381 CO -0.46 1.20 0.10 0.00 -1.16 0.00 0.00 179.01 178.69 2x4a h ARG 382 N 0.19 0.65 -0.35 2.33 3.08 -1.16 -1.58 114.38 117.54 2x4a h ARG 382 Ca -0.12 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.88 2x4a h ARG 382 Cb 1.78 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.65 2x4a h ARG 382 CO 0.19 0.60 -0.16 1.25 -1.07 0.00 0.00 179.97 180.78 2x4a h LEU 383 N 0.63 -0.55 -0.59 3.04 5.85 -1.16 0.21 115.31 122.75 2x4a h LEU 383 Ca 0.14 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2x4a h LEU 383 Cb 0.25 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2x4a h LEU 383 CO -0.00 -0.20 0.27 0.03 -0.34 0.00 0.00 178.44 178.21 2x4a h ARG 384 N -0.10 0.85 0.25 1.25 3.08 -1.38 -1.20 114.38 117.13 2x4a h ARG 384 Ca 0.18 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2x4a h ARG 384 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2x4a h ARG 384 CO -0.42 0.70 -0.12 0.77 -1.07 0.00 0.00 179.97 179.83 2x4a h SER 385 N 0.80 -0.28 -0.11 7.04 0.02 -0.78 -1.19 113.55 119.04 2x4a h SER 385 Ca 0.20 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2x4a h SER 385 Cb 0.13 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2x4a h SER 385 CO -0.02 -0.08 -0.05 -0.61 -1.14 0.00 0.00 176.83 174.93 2x4a h GLN 386 N -0.47 0.38 -0.58 3.45 5.75 -0.51 -0.77 115.11 122.35 2x4a h GLN 386 Ca -0.03 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 2x4a h GLN 386 Cb 0.36 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2x4a h GLN 386 CO 0.06 0.45 0.11 0.35 -2.65 0.00 0.00 178.83 177.14 2x4a h PHE 387 N 0.36 0.97 -0.54 3.99 3.57 -0.93 0.17 116.94 124.53 2x4a h PHE 387 Ca 0.08 -0.11 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 2x4a h PHE 387 Cb 0.33 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2x4a h PHE 387 CO 0.01 0.82 -0.11 0.35 -2.23 0.00 0.00 178.31 177.15 2x4a h PHE 388 N 0.88 1.14 -0.41 0.41 3.57 -0.54 0.24 116.94 122.23 2x4a h PHE 388 Ca 0.18 -0.23 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 2x4a h PHE 388 Cb 0.37 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2x4a h PHE 388 CO 0.02 1.05 -0.29 0.82 -2.23 0.00 0.00 178.31 177.68 2x4a h ILE 389 N 0.91 1.27 -0.03 1.41 2.04 -0.40 -0.63 117.51 122.07 2x4a h ILE 389 Ca 0.14 -1.46 -0.16 0.00 1.00 0.00 0.00 64.86 64.39 2x4a h ILE 389 Cb 0.67 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2x4a h ILE 389 CO 0.05 0.49 -0.59 0.44 0.00 0.00 0.00 178.15 178.53 2x4a h ASP 390 N 0.74 0.58 -0.00 1.72 3.32 -0.60 -3.40 116.42 118.78 2x4a h ASP 390 Ca 0.08 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2x4a h ASP 390 Cb 0.88 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2x4a h ASP 390 CO 0.08 1.22 -0.31 -1.22 -1.72 0.00 0.00 179.24 177.29 2x4a n TYR 391 N -4.20 0.00 -1.51 4.55 4.01 0.85 -4.67 117.16 116.19 2x4a n TYR 391 Ca -0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.59 2x4a n TYR 391 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.68 2x4a n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x4a n GLY 392 N 1.14 0.55 3.08 2.72 0.00 -0.25 -1.67 105.19 110.77 2x4a n GLY 392 Ca 0.01 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2x4a n GLY 392 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x4a s VAL 393 N -2.22 0.63 -0.38 1.61 -7.23 -1.26 -4.69 120.40 106.86 2x4a s VAL 393 Ca 0.00 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.72 2x4a s VAL 393 Cb 0.00 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.22 2x4a s VAL 393 CO 0.00 -0.39 1.12 -0.60 -0.31 0.00 0.00 175.10 174.92 2x4a s ARG 394 N -1.74 3.93 0.55 4.82 6.06 -1.26 -3.73 118.95 127.58 2x4a s ARG 394 Ca -0.08 0.90 -0.19 0.00 -2.50 0.00 0.00 55.73 53.87 2x4a s ARG 394 Cb -0.09 -3.81 -0.05 0.00 0.06 0.00 0.00 34.95 31.05 2x4a s ARG 394 CO 0.00 -1.10 1.11 -0.51 -2.50 0.00 0.00 175.30 172.30 2x4a s LEU 395 N 4.02 3.70 1.24 -0.88 1.43 -1.26 -4.98 118.68 121.94 2x4a s LEU 395 Ca 0.47 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.48 2x4a s LEU 395 Cb -0.11 -4.57 0.30 0.00 0.03 0.00 0.00 46.19 41.84 2x4a s LEU 395 CO 0.22 -1.20 1.04 -2.84 0.23 0.00 0.00 176.35 173.81 2x4a s PRO 396 N -3.44 -1.47 0.47 1.29 0.02 -1.26 -4.94 135.00 125.67 2x4a s PRO 396 Ca 0.70 0.19 -0.24 0.00 0.02 0.00 0.00 61.00 61.67 2x4a s PRO 396 Cb -0.22 -1.54 -0.08 0.00 0.02 0.00 0.00 34.50 32.68 2x4a s PRO 396 CO 0.28 -3.93 1.38 -0.85 -0.33 0.00 0.00 177.00 173.55 2x4a n GLU 397 N -4.96 2.04 -4.05 5.54 0.28 -1.26 -4.70 120.64 113.52 2x4a n GLU 397 Ca 0.10 0.73 -0.35 0.00 -0.16 0.00 0.00 57.16 57.49 2x4a n GLU 397 Cb 0.59 -2.57 -0.14 0.00 1.43 0.00 0.00 31.44 30.75 2x4a n GLU 397 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2x4a s VAL 398 N -1.22 3.35 -0.09 3.84 1.01 -1.26 -0.63 120.40 125.40 2x4a s VAL 398 Ca 0.64 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 2x4a s VAL 398 Cb -0.45 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2x4a s VAL 398 CO 0.55 0.44 0.13 -0.76 0.00 0.00 0.00 175.10 175.47 2x4a s LEU 399 N 1.27 4.28 0.10 3.92 1.43 -0.64 -4.80 118.68 124.24 2x4a s LEU 399 Ca 0.03 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 2x4a s LEU 399 Cb -0.14 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2x4a s LEU 399 CO -0.02 0.37 0.51 -0.76 0.23 0.00 0.00 176.35 176.69 2x4a s LEU 400 N -1.21 4.40 -0.07 1.79 1.43 -1.26 -1.32 118.68 122.44 2x4a s LEU 400 Ca 0.17 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2x4a s LEU 400 Cb -0.12 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.08 2x4a s LEU 400 CO 0.07 0.18 0.18 -0.60 0.23 0.00 0.00 176.35 176.41 2x4a s ARG 401 N -1.63 0.19 -0.03 1.70 3.52 -0.58 -4.94 118.95 117.18 2x4a s ARG 401 Ca 0.33 0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 2x4a s ARG 401 Cb -0.16 0.02 -0.07 0.00 -1.56 0.00 0.00 34.95 33.18 2x4a s ARG 401 CO 0.18 -0.07 1.78 -0.51 -0.81 0.00 0.00 175.30 175.87 2x4a s ASP 402 N 0.45 6.54 -0.11 -2.12 1.01 -1.26 -0.53 116.67 120.65 2x4a s ASP 402 Ca -0.03 2.35 -0.27 0.00 0.71 0.00 0.00 52.55 55.31 2x4a s ASP 402 Cb -0.04 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2x4a s ASP 402 CO -0.02 -1.02 0.87 -0.83 0.21 0.00 0.00 175.17 174.39 2x4a s GLY 403 N 3.92 2.39 0.16 0.21 0.00 0.58 -4.80 107.32 109.78 2x4a s GLY 403 Ca 0.79 0.22 -0.31 0.00 0.00 0.00 0.00 44.72 45.43 2x4a s GLY 403 CO 0.34 1.64 1.34 1.85 0.00 0.00 0.00 173.10 178.27 2x4a s GLU 404 N 1.68 4.36 -1.28 2.90 2.12 -1.26 -2.92 118.70 124.30 2x4a s GLU 404 Ca 0.43 2.05 -0.09 0.00 0.36 0.00 0.00 54.97 57.72 2x4a s GLU 404 Cb -0.18 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 30.98 2x4a s GLU 404 CO 0.17 -0.34 0.61 0.41 -0.54 0.00 0.00 175.26 175.57 2x4a n GLY 405 N 2.91 -0.55 3.74 -1.50 0.00 -1.26 -5.00 105.19 103.53 2x4a n GLY 405 Ca 0.09 0.27 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 2x4a n GLY 405 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4a s LEU 406 N -6.74 3.96 0.79 0.99 1.43 -1.15 -5.12 118.68 112.85 2x4a s LEU 406 Ca 0.20 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 2x4a s LEU 406 Cb -0.07 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2x4a s LEU 406 CO 0.87 0.33 1.11 1.51 0.23 0.00 0.00 176.35 180.40 2x4a s ASP 407 N -0.54 4.62 0.14 2.29 1.47 -1.26 -4.80 116.67 118.60 2x4a s ASP 407 Ca 0.11 1.14 0.09 0.00 1.18 0.00 0.00 52.55 55.08 2x4a s ASP 407 Cb -0.12 -1.84 0.51 0.00 -0.34 0.00 0.00 42.92 41.12 2x4a s ASP 407 CO 0.02 -1.87 1.27 0.47 0.68 0.00 0.00 175.17 175.74 2x4a n ASP 408 N -3.35 0.24 -0.78 2.11 8.00 -1.26 -2.31 116.55 119.21 2x4a n ASP 408 Ca 0.07 0.60 0.05 0.00 0.71 0.00 0.00 54.79 56.22 2x4a n ASP 408 Cb 0.57 -0.62 0.18 0.00 -0.02 0.00 0.00 41.12 41.23 2x4a n ASP 408 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2x4a n ASN 409 N -1.82 1.70 -4.42 -2.24 5.03 -1.26 -4.80 115.26 107.44 2x4a n ASN 409 Ca -0.01 -3.62 -0.31 0.00 0.87 0.00 0.00 54.58 51.52 2x4a n ASN 409 Cb 0.04 -0.49 -0.14 0.00 -1.02 0.00 0.00 39.78 38.17 2x4a n ASN 409 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2x4a s SER 410 N -3.07 3.62 0.03 6.41 0.01 -0.98 -1.21 113.70 118.51 2x4a s SER 410 Ca 0.38 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 57.26 2x4a s SER 410 Cb 0.37 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 2x4a s SER 410 CO -0.08 0.28 -0.11 -0.63 0.41 0.00 0.00 173.24 173.11 2x4a s ILE 411 N -0.82 0.84 -0.03 1.44 -1.09 -0.73 -3.97 121.20 116.84 2x4a s ILE 411 Ca 0.13 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 2x4a s ILE 411 Cb -0.10 -0.79 -0.00 0.00 -1.58 0.00 0.00 42.46 39.98 2x4a s ILE 411 CO 0.03 -0.08 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.81 2x4a s VAL 412 N -0.88 1.24 -0.13 2.92 1.01 -0.69 -0.48 120.40 123.40 2x4a s VAL 412 Ca -0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2x4a s VAL 412 Cb -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2x4a s VAL 412 CO 0.01 0.36 0.06 -0.22 0.00 0.00 0.00 175.10 175.30 2x4a s LEU 413 N -0.04 3.86 -0.10 3.92 2.96 -0.16 -1.21 118.68 127.91 2x4a s LEU 413 Ca -0.01 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2x4a s LEU 413 Cb -0.09 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2x4a s LEU 413 CO 0.01 0.31 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.39 2x4a s LEU 414 N -0.43 2.36 -0.12 -0.68 1.02 0.00 0.26 118.68 121.09 2x4a s LEU 414 Ca 0.09 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.83 2x4a s LEU 414 Cb -0.12 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.60 2x4a s LEU 414 CO 0.02 0.18 -0.22 -0.63 0.02 0.00 0.00 176.35 175.73 2x4a s ILE 415 N 0.22 2.19 -1.43 -0.59 1.01 -0.90 -2.25 121.20 119.46 2x4a s ILE 415 Ca -0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 2x4a s ILE 415 Cb -0.16 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.46 2x4a s ILE 415 CO 0.07 0.55 0.40 0.59 0.00 0.00 0.00 174.94 176.54 2x4a n ASN 416 N 3.78 -5.04 -2.07 3.58 3.02 -1.26 -1.75 115.26 115.52 2x4a n ASN 416 Ca -0.19 -0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 53.96 2x4a n ASN 416 Cb 0.52 -4.14 -0.02 0.00 -0.61 0.00 0.00 39.78 35.53 2x4a n ASN 416 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2x4a n GLU 417 N -3.62 -1.50 -4.45 3.52 -0.58 -1.26 -5.01 120.64 107.75 2x4a n GLU 417 Ca -0.11 0.97 -0.33 0.00 -0.42 0.00 0.00 57.16 57.27 2x4a n GLU 417 Cb 0.61 -5.49 -0.16 0.00 -0.57 0.00 0.00 31.44 25.83 2x4a n GLU 417 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2x4a s ILE 418 N -2.92 2.36 -0.06 -3.67 1.01 -0.72 -5.05 121.20 112.16 2x4a s ILE 418 Ca 0.00 -0.87 -0.37 0.00 0.00 0.00 0.00 60.65 59.42 2x4a s ILE 418 Cb 0.00 -1.98 -0.15 0.00 0.01 0.00 0.00 42.46 40.34 2x4a s ILE 418 CO 0.00 0.53 1.65 0.54 0.00 0.00 0.00 174.94 177.66 2x4a n ARG 419 N 4.24 1.61 -0.06 2.79 1.74 -1.26 -2.11 116.66 123.60 2x4a n ARG 419 Ca -0.20 0.59 -0.08 0.00 -0.77 0.00 0.00 57.85 57.39 2x4a n ARG 419 Cb 0.51 -2.32 -0.07 0.00 -1.02 0.00 0.00 32.46 29.56 2x4a n ARG 419 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2x4a n VAL 420 N 4.01 0.77 -3.59 1.55 0.31 0.14 -4.93 118.33 116.59 2x4a n VAL 420 Ca 0.22 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 64.06 2x4a n VAL 420 Cb 0.22 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 2x4a n VAL 420 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2x4a s GLU 421 N -2.27 0.64 -0.07 5.55 2.12 -1.22 -5.01 118.70 118.43 2x4a s GLU 421 Ca -0.12 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.55 2x4a s GLU 421 Cb 0.04 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.70 2x4a s GLU 421 CO 0.38 -0.16 -0.06 -1.14 -0.54 0.00 0.00 175.26 173.74 2x4a s GLN 422 N -0.64 2.78 0.11 4.30 0.74 -1.26 -0.99 119.66 124.70 2x4a s GLN 422 Ca -0.01 -0.53 0.10 0.00 0.05 0.00 0.00 55.36 54.97 2x4a s GLN 422 Cb -0.02 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2x4a s GLN 422 CO 0.00 0.67 -0.26 -0.06 -0.55 0.00 0.00 175.29 175.09 2x4a s PHE 423 N -0.82 2.33 -0.27 1.67 0.08 0.37 -4.98 117.98 116.37 2x4a s PHE 423 Ca 0.12 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 2x4a s PHE 423 Cb -0.11 -1.29 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 2x4a s PHE 423 CO 0.02 0.29 -0.02 0.99 -0.10 0.00 0.00 175.22 176.39 2x4a s THR 424 N -1.00 3.16 -0.08 0.64 2.01 -1.26 -1.78 115.64 117.34 2x4a s THR 424 Ca 0.14 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2x4a s THR 424 Cb -0.10 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 69.79 2x4a s THR 424 CO 0.05 0.13 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.31 2x4a s VAL 425 N 1.36 1.16 -0.61 3.82 1.01 -0.35 -5.02 120.40 121.77 2x4a s VAL 425 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 2x4a s VAL 425 Cb -0.17 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.23 2x4a s VAL 425 CO -0.02 0.37 0.69 -0.31 0.00 0.00 0.00 175.10 175.83 2x4a s TYR 426 N 0.95 3.08 0.31 5.22 2.02 -1.26 -4.46 117.35 123.21 2x4a s TYR 426 Ca -0.09 -1.08 0.05 0.00 -0.37 0.00 0.00 57.07 55.58 2x4a s TYR 426 Cb -0.15 -3.99 0.70 0.00 -0.40 0.00 0.00 41.96 38.13 2x4a s TYR 426 CO 0.00 -1.25 1.81 0.74 -1.57 0.00 0.00 175.55 175.29 2x4a h PHE 427 N 9.06 1.04 -0.00 2.71 0.04 -1.92 -0.37 116.94 127.50 2x4a h PHE 427 Ca -0.26 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.54 2x4a h PHE 427 Cb 1.08 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.91 2x4a h PHE 427 CO 0.84 0.32 -0.09 -0.25 -0.60 0.00 0.00 178.31 178.53 2x4a n ASP 428 N -4.67 0.35 -4.83 2.17 8.00 -1.26 -4.58 116.55 111.74 2x4a n ASP 428 Ca 0.21 -0.47 -0.27 0.00 0.71 0.00 0.00 54.79 54.97 2x4a n ASP 428 Cb 0.49 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 2x4a n ASP 428 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x4a s LEU 429 N -2.50 2.74 0.05 0.64 1.43 -0.15 -4.54 118.68 116.35 2x4a s LEU 429 Ca 0.29 -1.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.19 2x4a s LEU 429 Cb 0.20 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2x4a s LEU 429 CO 0.47 -0.88 -0.24 -0.04 0.23 0.00 0.00 176.35 175.90 2x4a s MET 430 N -4.08 1.55 -0.13 1.70 -1.94 0.11 -4.05 119.30 112.46 2x4a s MET 430 Ca 0.30 -1.05 -0.12 0.00 -1.71 0.00 0.00 55.69 53.11 2x4a s MET 430 Cb 0.00 -1.72 -0.05 0.00 2.01 0.00 0.00 34.83 35.07 2x4a s MET 430 CO 0.18 0.44 0.25 0.50 -0.01 0.00 0.00 175.02 176.37 2x4a s ARG 431 N -1.30 3.98 -0.30 2.03 3.52 0.09 -0.53 118.95 126.44 2x4a s ARG 431 Ca 0.10 0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.53 2x4a s ARG 431 Cb -0.09 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 2x4a s ARG 431 CO 0.02 0.46 0.62 0.08 -0.81 0.00 0.00 175.30 175.67 2x4a s VAL 432 N -0.18 4.95 -0.04 7.11 1.01 -0.31 -0.91 120.40 132.02 2x4a s VAL 432 Ca 0.16 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 2x4a s VAL 432 Cb -0.13 -3.99 -0.31 0.00 0.00 0.00 0.00 36.38 31.95 2x4a s VAL 432 CO 0.04 -0.13 0.72 0.58 0.00 0.00 0.00 175.10 176.31 2x4a h VAL 433 N 5.54 1.04 -1.92 2.92 2.07 -1.50 -3.30 116.25 121.09 2x4a h VAL 433 Ca -0.27 -2.53 -0.75 0.00 0.82 0.00 0.00 66.70 63.97 2x4a h VAL 433 Cb 1.12 2.83 -0.28 0.00 -1.52 0.00 0.00 31.29 33.44 2x4a h VAL 433 CO 0.79 0.82 0.92 -0.46 0.02 0.00 0.00 177.57 179.67 2x4a n ASN 434 N -3.69 7.33 -4.70 0.57 6.94 -1.26 -4.69 115.26 115.75 2x4a n ASN 434 Ca -0.23 -3.83 -0.43 0.00 -0.02 0.00 0.00 54.58 50.07 2x4a n ASN 434 Cb 1.04 -1.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 2x4a n ASN 434 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2x4a n TYR 435 N -0.55 2.49 -4.53 -2.53 9.36 -1.24 -4.93 117.16 115.23 2x4a n TYR 435 Ca 0.53 0.32 -0.25 0.00 3.32 0.00 0.00 57.90 61.83 2x4a n TYR 435 Cb 0.28 -2.54 -0.11 0.00 -0.63 0.00 0.00 39.34 36.35 2x4a n TYR 435 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2x4a s SER 436 N 0.47 3.06 0.30 2.98 1.04 -1.26 -4.70 113.70 115.60 2x4a s SER 436 Ca 0.68 -1.39 0.26 0.00 0.48 0.00 0.00 55.95 55.97 2x4a s SER 436 Cb -0.58 -0.19 0.97 0.00 0.10 0.00 0.00 66.02 66.32 2x4a s SER 436 CO 0.47 -0.56 1.77 0.44 0.98 0.00 0.00 173.24 176.34 2x4a h ASP 437 N 1.94 0.00 -0.65 7.02 3.32 -2.03 -2.93 116.42 123.09 2x4a h ASP 437 Ca -0.42 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.77 2x4a h ASP 437 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 2x4a h ASP 437 CO 0.74 0.00 0.45 -0.08 -1.72 0.00 0.00 179.24 178.63 2x4a h GLU 438 N 0.00 0.25 -0.82 3.56 4.81 -2.00 -1.05 114.58 119.32 2x4a h GLU 438 Ca 0.00 -0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.45 2x4a h GLU 438 Cb 0.51 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2x4a h GLU 438 CO 0.00 0.16 0.62 0.28 -0.73 0.00 0.00 179.01 179.34 2x4a h VAL 439 N 0.26 0.54 0.00 0.32 2.07 -1.88 0.41 116.25 117.97 2x4a h VAL 439 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 2x4a h VAL 439 Cb 0.88 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2x4a h VAL 439 CO -0.07 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 178.01 2x4a h VAL 440 N 0.00 0.20 0.00 2.57 2.07 -1.30 -2.77 116.25 117.02 2x4a h VAL 440 Ca 0.39 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2x4a h VAL 440 Cb 1.62 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2x4a h VAL 440 CO -0.00 0.09 0.00 0.28 0.02 0.00 0.00 177.57 177.96 2x4a h SER 441 N 0.00 0.00 -0.64 0.57 0.02 -0.27 -2.29 113.55 110.93 2x4a h SER 441 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2x4a h SER 441 Cb 0.75 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.19 2x4a h SER 441 CO 0.01 0.00 0.20 0.49 -1.14 0.00 0.00 176.83 176.39 2x4a n PHE 442 N -2.62 2.16 -1.40 3.45 3.72 -1.05 -4.92 117.46 116.80 2x4a n PHE 442 Ca 0.02 -1.01 -0.14 0.00 -0.05 0.00 0.00 57.45 56.27 2x4a n PHE 442 Cb 0.29 -0.61 -0.06 0.00 -0.94 0.00 0.00 39.48 38.17 2x4a n PHE 442 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x4a n GLY 443 N 0.03 1.39 3.64 1.37 0.00 -0.86 -5.00 105.19 105.76 2x4a n GLY 443 Ca 0.35 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2x4a n GLY 443 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x4a s ILE 444 N -2.38 5.23 -0.30 -0.61 1.01 -1.17 -5.04 121.20 117.94 2x4a s ILE 444 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 2x4a s ILE 444 Cb 0.00 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 39.08 2x4a s ILE 444 CO 0.00 0.35 -0.01 0.20 0.00 0.00 0.00 174.94 175.48 2x4a s ASN 445 N 1.10 4.86 0.68 3.58 -0.87 -1.26 -3.93 114.94 119.10 2x4a s ASN 445 Ca 0.07 -1.28 -0.11 0.00 -1.57 0.00 0.00 52.86 49.97 2x4a s ASN 445 Cb -0.14 -1.70 -0.00 0.00 -0.02 0.00 0.00 41.25 39.39 2x4a s ASN 445 CO 0.05 -0.26 1.06 -2.16 -2.57 0.00 0.00 177.10 173.22 2x4a s PRO 446 N 1.24 3.11 -0.16 -0.60 0.04 -1.26 -4.99 135.00 132.38 2x4a s PRO 446 Ca -0.05 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 2x4a s PRO 446 Cb -0.20 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2x4a s PRO 446 CO -0.01 -0.92 0.76 0.99 0.04 0.00 0.00 177.00 177.86 2x4a s THR 447 N -3.17 4.94 -0.17 1.26 2.01 0.15 -4.86 115.64 115.80 2x4a s THR 447 Ca 0.57 1.49 -0.05 0.00 0.31 0.00 0.00 61.69 64.02 2x4a s THR 447 Cb -0.12 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2x4a s THR 447 CO 0.54 0.08 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.90 2x4a s ILE 448 N 1.91 4.06 -0.06 1.82 1.01 -1.26 -0.57 121.20 128.11 2x4a s ILE 448 Ca 0.36 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2x4a s ILE 448 Cb -0.17 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2x4a s ILE 448 CO 0.13 0.48 -0.24 -2.28 0.00 0.00 0.00 174.94 173.03 2x4a s HIS 449 N 0.45 2.30 -0.21 3.97 2.46 -0.66 -4.98 115.29 118.62 2x4a s HIS 449 Ca -0.02 -0.69 -0.06 0.00 0.47 0.00 0.00 55.06 54.76 2x4a s HIS 449 Cb -0.14 -1.52 -0.02 0.00 -0.13 0.00 0.00 32.58 30.77 2x4a s HIS 449 CO 0.02 -0.21 0.01 -1.14 -2.47 0.00 0.00 174.74 170.95 2x4a s GLN 450 N -0.11 3.62 -0.27 2.88 -0.44 -1.26 -0.86 119.66 123.22 2x4a s GLN 450 Ca -0.04 -0.51 -0.01 0.00 -2.50 0.00 0.00 55.36 52.30 2x4a s GLN 450 Cb -0.13 -3.13 0.14 0.00 -1.64 0.00 0.00 33.01 28.24 2x4a s GLN 450 CO 0.04 -0.04 0.33 -1.14 0.50 0.00 0.00 175.29 174.98 2x4a s GLN 451 N 1.14 0.33 2.78 1.67 2.00 -0.95 -5.04 119.66 121.60 2x4a s GLN 451 Ca 0.03 0.08 0.00 0.00 -2.00 0.00 0.00 55.36 53.47 2x4a s GLN 451 Cb -0.14 -0.61 0.00 0.00 0.80 0.00 0.00 33.01 33.05 2x4a s GLN 451 CO 0.02 -0.92 0.00 0.41 -0.50 0.00 0.00 175.29 174.30 2x4a n GLY 452 N 5.33 -0.31 1.94 2.59 0.00 -1.26 -3.09 105.19 110.40 2x4a n GLY 452 Ca -0.02 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 2x4a n GLY 452 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x4a n SER 453 N -0.84 4.12 -4.92 1.61 3.41 -1.26 -4.88 113.62 110.86 2x4a n SER 453 Ca 0.00 -3.23 -0.29 0.00 -0.26 0.00 0.00 58.87 55.09 2x4a n SER 453 Cb 0.00 -0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 63.12 2x4a n SER 453 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2x4a s SER 454 N -0.72 6.42 0.01 4.04 0.01 -1.18 -4.85 113.70 117.43 2x4a s SER 454 Ca 0.43 0.47 0.06 0.00 1.31 0.00 0.00 55.95 58.23 2x4a s SER 454 Cb 0.36 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2x4a s SER 454 CO 0.07 -0.00 -0.19 -1.10 0.41 0.00 0.00 173.24 172.42 2x4a s GLN 455 N -3.05 1.47 -0.05 12.44 -0.21 -1.26 -2.23 119.66 126.77 2x4a s GLN 455 Ca 0.39 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 55.05 2x4a s GLN 455 Cb -0.11 -1.48 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 2x4a s GLN 455 CO 0.27 0.39 -0.20 0.71 -2.12 0.00 0.00 175.29 174.35 2x4a s TYR 456 N -0.58 1.97 -0.16 0.91 2.02 -0.04 -4.40 117.35 117.07 2x4a s TYR 456 Ca 0.07 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2x4a s TYR 456 Cb -0.08 -1.31 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2x4a s TYR 456 CO 0.00 -0.18 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.54 2x4a s PHE 457 N -0.06 2.70 0.07 2.71 0.08 -1.26 -1.66 117.98 120.56 2x4a s PHE 457 Ca -0.03 -1.50 0.09 0.00 0.12 0.00 0.00 56.93 55.61 2x4a s PHE 457 Cb -0.12 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 2x4a s PHE 457 CO 0.03 -0.72 -0.25 -1.58 -0.10 0.00 0.00 175.22 172.60 2x4a s TRP 458 N 1.09 2.15 0.16 0.36 0.52 0.26 -1.16 118.94 122.32 2x4a s TRP 458 Ca -0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.70 2x4a s TRP 458 Cb -0.14 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 2x4a s TRP 458 CO -0.08 0.17 0.10 0.14 0.02 0.00 0.00 176.95 177.30 2x4a s VAL 459 N -0.88 0.06 0.79 4.03 -7.23 0.31 0.32 120.40 117.79 2x4a s VAL 459 Ca 0.11 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2x4a s VAL 459 Cb -0.10 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 34.72 2x4a s VAL 459 CO 0.03 -0.29 1.09 0.42 -0.31 0.00 0.00 175.10 176.04 2x4a s THR 460 N -4.08 3.23 0.32 5.32 -4.23 -1.26 0.09 115.64 115.03 2x4a s THR 460 Ca 0.29 0.40 0.07 0.00 -1.18 0.00 0.00 61.69 61.26 2x4a s THR 460 Cb 0.07 -3.08 0.31 0.00 1.34 0.00 0.00 72.50 71.14 2x4a s THR 460 CO 0.05 -0.52 1.82 0.45 -0.54 0.00 0.00 174.62 175.88 2x4a h HIS 461 N -1.08 0.97 0.02 3.99 3.86 -1.91 0.38 115.15 121.37 2x4a h HIS 461 Ca -0.46 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2x4a h HIS 461 Cb 1.26 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2x4a h HIS 461 CO 0.50 0.30 -0.01 1.49 0.86 0.00 0.00 177.93 181.07 2x4a h GLU 462 N 0.77 -0.02 -0.09 2.45 4.81 -1.97 -1.99 114.58 118.53 2x4a h GLU 462 Ca 0.52 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.72 2x4a h GLU 462 Cb 0.79 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2x4a h GLU 462 CO -0.29 0.46 -0.07 0.93 -0.73 0.00 0.00 179.01 179.31 2x4a h GLU 463 N -0.52 0.13 -0.35 1.92 5.08 -1.84 -2.24 114.58 116.76 2x4a h GLU 463 Ca -0.00 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2x4a h GLU 463 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2x4a h GLU 463 CO 0.00 0.22 -0.23 0.78 -1.00 0.00 0.00 179.01 178.78 2x4a h GLY 464 N 0.48 0.76 1.46 -3.84 0.00 0.03 -1.75 103.07 100.20 2x4a h GLY 464 Ca 0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.57 2x4a h GLY 464 CO 0.01 0.58 -0.47 0.83 0.00 0.00 0.00 176.54 177.49 2x4a h GLU 465 N 0.61 0.58 -0.21 4.80 4.39 -0.76 -1.31 114.58 122.68 2x4a h GLU 465 Ca 0.09 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 2x4a h GLU 465 Cb 0.72 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2x4a h GLU 465 CO 0.06 0.93 0.03 -0.22 -1.16 0.00 0.00 179.01 178.65 2x4a h LYS 466 N 0.46 0.35 -0.01 2.33 3.64 -1.23 -2.91 116.57 119.20 2x4a h LYS 466 Ca 0.03 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2x4a h LYS 466 Cb 1.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2x4a h LYS 466 CO 0.09 0.51 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.43 2x4a h LEU 467 N 0.14 0.02 -0.98 5.20 3.38 -1.16 -2.69 115.31 119.23 2x4a h LEU 467 Ca 0.06 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2x4a h LEU 467 Cb 0.33 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2x4a h LEU 467 CO 0.01 0.30 0.65 0.03 0.09 0.00 0.00 178.44 179.51 2x4a h ARG 468 N 0.02 1.24 0.00 1.13 3.08 -1.05 -1.38 114.38 117.43 2x4a h ARG 468 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2x4a h ARG 468 Cb 0.50 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2x4a h ARG 468 CO 0.04 0.82 0.00 0.39 -1.07 0.00 0.00 179.97 180.15 2x4a n GLU 469 N -4.43 0.55 -0.24 0.04 1.02 -1.02 -1.60 120.64 114.96 2x4a n GLU 469 Ca 0.12 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2x4a n GLU 469 Cb 0.06 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.23 2x4a n GLU 469 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2x4a n LEU 470 N -1.21 3.50 0.00 -4.62 4.77 -0.60 -4.98 117.00 113.86 2x4a n LEU 470 Ca 0.16 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 2x4a n LEU 470 Cb 0.20 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2x4a n LEU 470 CO 0.21 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2x4a n GLY 471 N 1.53 0.43 3.77 -0.72 0.00 -0.63 -5.07 105.19 104.50 2x4a n GLY 471 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2x4a n GLY 471 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x4a s TYR 472 N -2.14 2.77 -0.37 1.61 2.02 -0.74 -4.98 117.35 115.52 2x4a s TYR 472 Ca 0.00 1.48 -0.15 0.00 -0.37 0.00 0.00 57.07 58.03 2x4a s TYR 472 Cb 0.00 -3.52 -0.00 0.00 -0.40 0.00 0.00 41.96 38.04 2x4a s TYR 472 CO 0.00 -1.87 0.34 0.08 -1.57 0.00 0.00 175.55 172.52 2x4a s VAL 473 N -1.42 5.20 0.14 0.71 1.01 -1.26 -4.22 120.40 120.56 2x4a s VAL 473 Ca 0.63 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.46 2x4a s VAL 473 Cb -0.33 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2x4a s VAL 473 CO 0.41 -0.16 0.14 -0.76 0.00 0.00 0.00 175.10 174.72 2x4a s LEU 474 N 1.92 3.88 -0.01 3.92 1.02 -1.26 -1.29 118.68 126.86 2x4a s LEU 474 Ca 0.09 -0.06 -0.00 0.00 0.02 0.00 0.00 54.13 54.19 2x4a s LEU 474 Cb -0.17 -2.50 0.01 0.00 0.02 0.00 0.00 46.19 43.55 2x4a s LEU 474 CO 0.11 0.09 0.01 -0.60 0.02 0.00 0.00 176.35 175.99 2x4a s ARG 475 N -2.94 -0.02 0.77 1.70 3.52 -0.09 -4.94 118.95 116.95 2x4a s ARG 475 Ca 0.31 0.09 -0.12 0.00 -0.13 0.00 0.00 55.73 55.88 2x4a s ARG 475 Cb -0.11 -0.12 0.05 0.00 -1.56 0.00 0.00 34.95 33.22 2x4a s ARG 475 CO 0.24 -0.08 1.10 0.54 -0.81 0.00 0.00 175.30 176.29 2x4a s ASN 476 N 0.50 4.78 0.23 -2.12 2.20 -1.26 -0.73 114.94 118.55 2x4a s ASN 476 Ca -0.04 1.20 -0.07 0.00 -0.94 0.00 0.00 52.86 53.01 2x4a s ASN 476 Cb -0.06 -1.94 0.25 0.00 -2.00 0.00 0.00 41.25 37.51 2x4a s ASN 476 CO -0.01 -1.77 1.89 0.00 -2.94 0.00 0.00 177.10 174.26 2x4a h ALA 477 N -0.95 1.14 -0.20 3.54 0.00 -1.81 -1.20 119.26 119.79 2x4a h ALA 477 Ca -0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2x4a h ALA 477 Cb 1.27 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2x4a h ALA 477 CO 0.61 0.43 -0.12 -0.07 0.00 0.00 0.00 179.25 180.11 2x4a h LEU 478 N 1.12 0.45 -0.17 0.00 3.38 -1.92 -0.10 115.31 118.06 2x4a h LEU 478 Ca 0.34 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2x4a h LEU 478 Cb -0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2x4a h LEU 478 CO -0.11 0.78 -0.07 0.44 0.09 0.00 0.00 178.44 179.57 2x4a h ASP 479 N 0.11 -0.24 -0.71 -0.43 3.32 -1.90 0.22 116.42 116.78 2x4a h ASP 479 Ca 0.04 0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.26 2x4a h ASP 479 Cb 0.63 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 2x4a h ASP 479 CO 0.03 -0.10 0.32 -0.08 -1.72 0.00 0.00 179.24 177.69 2x4a h GLU 480 N -0.05 0.50 -0.63 3.56 4.57 -1.15 0.09 114.58 121.47 2x4a h GLU 480 Ca 0.09 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2x4a h GLU 480 Cb 0.18 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2x4a h GLU 480 CO -0.20 0.33 0.11 1.25 -1.18 0.00 0.00 179.01 179.32 2x4a h LEU 481 N 0.52 0.96 -0.41 1.64 5.85 -0.32 -1.57 115.31 121.98 2x4a h LEU 481 Ca 0.37 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2x4a h LEU 481 Cb 0.46 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2x4a h LEU 481 CO -0.32 0.96 0.10 0.22 -0.34 0.00 0.00 178.44 179.05 2x4a h TYR 482 N 0.96 0.69 -0.55 1.25 3.20 0.10 -0.98 116.97 121.64 2x4a h TYR 482 Ca 0.19 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2x4a h TYR 482 Cb 0.40 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2x4a h TYR 482 CO 0.03 0.66 0.21 1.25 -1.64 0.00 0.00 178.16 178.67 2x4a h HIS 483 N 0.53 0.81 -0.00 -3.82 2.76 -0.49 0.31 115.15 115.24 2x4a h HIS 483 Ca 0.13 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2x4a h HIS 483 Cb 0.32 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 2x4a h HIS 483 CO 0.02 0.63 -0.00 0.00 -1.30 0.00 0.00 177.93 177.28 2x4a h LEU 485 N -0.35 0.77 -0.45 0.00 3.38 -0.89 -2.45 115.31 115.32 2x4a h LEU 485 Ca 0.00 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2x4a h LEU 485 Cb 0.36 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2x4a h LEU 485 CO 0.00 0.70 0.17 0.00 0.09 0.00 0.00 178.44 179.40 2x4a h ALA 486 N 1.10 0.55 0.01 1.53 0.00 -0.34 0.23 119.26 122.34 2x4a h ALA 486 Ca 0.20 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2x4a h ALA 486 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2x4a h ALA 486 CO -0.02 -0.22 -0.01 0.28 0.00 0.00 0.00 179.25 179.29 2x4a h VAL 487 N 0.35 1.07 -0.64 0.00 2.07 -1.10 0.76 116.25 118.76 2x4a h VAL 487 Ca 0.21 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2x4a h VAL 487 Cb 0.20 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2x4a h VAL 487 CO -0.21 0.06 0.34 0.74 0.02 0.00 0.00 177.57 178.53 2x4a h THR 488 N -0.12 1.21 -0.24 2.57 2.02 -1.10 -2.38 112.91 114.86 2x4a h THR 488 Ca -0.00 -0.53 -0.15 0.00 0.77 0.00 0.00 66.41 66.50 2x4a h THR 488 Cb 0.12 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2x4a h THR 488 CO 0.00 0.23 -0.48 -0.07 0.37 0.00 0.00 175.52 175.57 2x4a h LEU 489 N 0.87 0.71 -0.67 2.58 3.38 -0.29 -0.81 115.31 121.08 2x4a h LEU 489 Ca 0.22 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2x4a h LEU 489 Cb 0.05 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2x4a h LEU 489 CO -0.03 1.07 0.37 0.00 0.09 0.00 0.00 178.44 179.93 2x4a h ALA 490 N 0.95 0.90 -0.14 1.53 0.00 0.73 -2.07 119.26 121.17 2x4a h ALA 490 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2x4a h ALA 490 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2x4a h ALA 490 CO 0.10 0.03 -0.34 -0.09 0.00 0.00 0.00 179.25 178.94 2x4a h ARG 491 N 0.67 0.29 -0.84 0.00 2.43 -1.19 -2.85 114.38 112.89 2x4a h ARG 491 Ca 0.31 -0.12 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 2x4a h ARG 491 Cb 0.21 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.64 2x4a h ARG 491 CO -0.20 0.60 0.24 0.09 -1.51 0.00 0.00 179.97 179.20 2x4a n ASN 492 N -4.08 4.09 -0.34 -3.80 3.02 -0.33 -4.62 115.26 109.20 2x4a n ASN 492 Ca -0.01 -2.95 0.18 0.00 -0.03 0.00 0.00 54.58 51.77 2x4a n ASN 492 Cb 0.44 -0.70 0.39 0.00 -0.61 0.00 0.00 39.78 39.30 2x4a n ASN 492 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2x4a h VAL 493 N 1.91 0.51 -0.27 2.41 3.04 -1.14 0.97 116.25 123.67 2x4a h VAL 493 Ca 0.23 -0.18 0.08 0.00 -1.01 0.00 0.00 66.70 65.81 2x4a h VAL 493 Cb 2.00 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 2x4a h VAL 493 CO 0.60 0.10 0.20 0.78 -1.01 0.00 0.00 177.57 178.23 2x4a h ASN 494 N 0.54 0.01 0.06 3.17 2.35 -1.82 -1.62 115.58 118.26 2x4a h ASN 494 Ca 0.64 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.39 2x4a h ASN 494 Cb 1.25 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2x4a h ASN 494 CO -0.49 0.01 -0.02 -0.33 -1.65 0.00 0.00 177.43 174.94 2x4a h GLU 495 N 0.01 0.00 0.00 0.81 4.39 -1.18 -3.32 114.58 115.29 2x4a h GLU 495 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2x4a h GLU 495 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2x4a h GLU 495 CO -0.00 0.02 0.00 2.48 -1.16 0.00 0.00 179.01 180.35 2x4a n TYR 496 N -3.89 0.00 -3.69 4.33 0.18 -0.96 -5.01 117.16 108.12 2x4a n TYR 496 Ca -0.03 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.61 2x4a n TYR 496 Cb 0.11 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.93 2x4a n TYR 496 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2x4a s PHE 497 N 0.00 -0.27 0.00 -3.48 5.36 -0.65 -4.90 117.98 114.04 2x4a s PHE 497 Ca 0.00 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 2x4a s PHE 497 Cb 0.00 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 2x4a s PHE 497 CO 0.00 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 2x4a n GLY 498 N 4.89 2.75 0.15 13.12 0.00 -1.26 -4.33 105.19 120.51 2x4a n GLY 498 Ca -0.14 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 2x4a n GLY 498 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x4a h ILE 499 N 0.00 0.69 -0.36 -0.61 1.08 -1.94 -0.92 117.51 115.45 2x4a h ILE 499 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2x4a h ILE 499 Cb 0.00 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 2x4a h ILE 499 CO 0.00 0.00 0.17 1.56 -0.69 0.00 0.00 178.15 179.19 2x4a h GLN 500 N -0.08 0.34 -0.29 2.37 1.08 -1.98 0.02 115.11 116.57 2x4a h GLN 500 Ca 0.11 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 2x4a h GLN 500 Cb 0.24 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2x4a h GLN 500 CO -0.25 0.23 -0.27 0.93 -0.95 0.00 0.00 178.83 178.52 2x4a h GLU 501 N 0.35 0.69 -0.26 1.46 3.07 -1.90 -0.33 114.58 117.67 2x4a h GLU 501 Ca 0.15 -0.36 0.06 0.00 -0.50 0.00 0.00 59.36 58.72 2x4a h GLU 501 Cb 0.07 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.92 2x4a h GLU 501 CO -0.11 0.97 -0.26 1.15 -1.40 0.00 0.00 179.01 179.36 2x4a h THR 502 N 0.43 0.36 -0.38 1.13 2.02 -0.86 0.68 112.91 116.30 2x4a h THR 502 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2x4a h THR 502 Cb 0.83 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2x4a h THR 502 CO 0.07 0.00 0.23 0.50 0.37 0.00 0.00 175.52 176.69 2x4a h LYS 503 N -0.26 0.51 -0.10 6.66 1.63 -0.72 0.08 116.57 124.38 2x4a h LYS 503 Ca 0.14 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.74 2x4a h LYS 503 Cb 0.47 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2x4a h LYS 503 CO -0.41 0.36 -0.65 1.25 -3.45 0.00 0.00 179.45 176.55 2x4a h HIS 504 N 0.52 0.50 -0.61 1.91 2.76 0.00 -2.73 115.15 117.49 2x4a h HIS 504 Ca 0.14 -0.20 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 2x4a h HIS 504 Cb -0.02 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 2x4a h HIS 504 CO 0.00 0.92 0.15 0.52 -1.30 0.00 0.00 177.93 178.22 2x4a h MET 505 N 0.28 0.99 -0.92 5.26 2.86 0.92 -2.87 114.93 121.44 2x4a h MET 505 Ca -0.01 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2x4a h MET 505 Cb 1.20 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 2x4a h MET 505 CO 0.11 0.90 0.60 -0.07 1.06 0.00 0.00 176.91 179.51 2x4a h LEU 506 N 0.90 0.92 -0.25 1.22 3.38 -1.14 -1.64 115.31 118.70 2x4a h LEU 506 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2x4a h LEU 506 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2x4a h LEU 506 CO 0.00 0.58 0.15 0.44 0.09 0.00 0.00 178.44 179.71 2x4a h ASP 507 N 1.04 0.29 -0.63 -0.43 3.32 -1.27 0.26 116.42 118.99 2x4a h ASP 507 Ca 0.40 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 2x4a h ASP 507 Cb 0.23 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2x4a h ASP 507 CO -0.16 0.24 0.28 -0.61 -1.72 0.00 0.00 179.24 177.26 2x4a h GLN 508 N 0.32 0.93 -0.57 3.56 5.75 -1.35 -2.67 115.11 121.08 2x4a h GLN 508 Ca 0.09 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 2x4a h GLN 508 Cb -0.01 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 2x4a h GLN 508 CO -0.02 0.77 0.10 1.25 -2.65 0.00 0.00 178.83 178.28 2x4a h LEU 509 N 0.88 0.90 -1.94 -2.39 5.85 -0.93 -3.15 115.31 114.53 2x4a h LEU 509 Ca 0.21 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2x4a h LEU 509 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2x4a h LEU 509 CO -0.02 0.92 0.08 -0.08 -0.34 0.00 0.00 178.44 179.00 2x4a h GLU 510 N 0.84 0.08 0.00 1.25 4.81 -0.16 0.45 114.58 121.84 2x4a h GLU 510 Ca 0.17 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2x4a h GLU 510 Cb 0.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2x4a h GLU 510 CO 0.01 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.34 2x4a h ALA 511 N 1.94 1.00 0.00 2.92 0.00 -1.45 -3.20 119.26 120.47 2x4a h ALA 511 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 2x4a h ALA 511 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2x4a h ALA 511 CO -0.01 0.00 -2.30 1.63 0.00 0.00 0.00 179.25 178.57 2x4a n LYS 512 N -2.89 0.50 -3.32 0.00 5.02 -0.55 -4.90 118.16 112.02 2x4a n LYS 512 Ca 0.01 0.20 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 2x4a n LYS 512 Cb 0.31 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.89 2x4a n LYS 512 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2x4a n PHE 513 N -3.90 1.74 -0.15 2.13 3.72 0.15 -4.96 117.46 116.18 2x4a n PHE 513 Ca -0.45 -3.87 -0.08 0.00 -0.05 0.00 0.00 57.45 52.99 2x4a n PHE 513 Cb 0.84 -0.45 0.06 0.00 -0.94 0.00 0.00 39.48 38.99 2x4a n PHE 513 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2x4a h PRO 514 N 4.14 0.94 -0.57 -1.08 0.13 -1.74 -2.76 132.00 131.06 2x4a h PRO 514 Ca 0.14 -0.32 -0.04 0.00 -0.87 0.00 0.00 66.00 64.91 2x4a h PRO 514 Cb 0.77 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2x4a h PRO 514 CO 0.66 0.98 0.21 -0.44 -0.23 0.00 0.00 178.00 179.18 2x4a h ASP 515 N 0.84 0.80 0.04 1.44 3.45 -1.93 -1.72 116.42 119.35 2x4a h ASP 515 Ca 0.14 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.33 2x4a h ASP 515 Cb 0.62 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 2x4a h ASP 515 CO 0.04 0.77 -0.25 0.25 -1.57 0.00 0.00 179.24 178.48 2x4a h LEU 516 N 0.78 0.35 -0.54 1.55 5.85 -1.97 -1.25 115.31 120.09 2x4a h LEU 516 Ca 0.19 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2x4a h LEU 516 Cb 0.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2x4a h LEU 516 CO -0.01 0.60 0.20 0.25 -0.34 0.00 0.00 178.44 179.14 2x4a h LEU 517 N 0.32 0.76 -0.94 2.25 5.85 -1.16 -2.33 115.31 120.06 2x4a h LEU 517 Ca 0.05 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 2x4a h LEU 517 Cb 0.61 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2x4a h LEU 517 CO 0.04 0.74 -0.43 0.11 -0.34 0.00 0.00 178.44 178.56 2x4a h LYS 518 N 0.73 0.21 -0.17 1.25 1.57 -0.88 -2.15 116.57 117.14 2x4a h LYS 518 Ca 0.18 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2x4a h LYS 518 Cb 0.23 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2x4a h LYS 518 CO -0.01 0.61 0.06 1.49 -0.57 0.00 0.00 179.45 181.03 2x4a h GLU 519 N 0.18 0.25 -0.66 3.15 4.57 -0.98 -2.27 114.58 118.82 2x4a h GLU 519 Ca 0.01 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2x4a h GLU 519 Cb 0.84 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 2x4a h GLU 519 CO 0.07 0.36 0.40 0.28 -1.18 0.00 0.00 179.01 178.93 2x4a h VAL 520 N 0.10 1.19 0.00 0.32 2.07 -1.24 -2.44 116.25 116.25 2x4a h VAL 520 Ca 0.05 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2x4a h VAL 520 Cb 0.20 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2x4a h VAL 520 CO -0.00 0.19 -0.10 -0.07 0.02 0.00 0.00 177.57 177.61 2x4a h LEU 521 N 0.89 0.00 -1.92 2.57 3.38 -1.34 0.12 115.31 119.02 2x4a h LEU 521 Ca 0.24 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2x4a h LEU 521 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2x4a h LEU 521 CO -0.05 0.10 0.09 0.03 0.09 0.00 0.00 178.44 178.70 2x4a h ARG 522 N 0.00 0.11 0.00 1.13 3.08 -0.89 -3.34 114.38 114.48 2x4a h ARG 522 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2x4a h ARG 522 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2x4a h ARG 522 CO 0.01 0.07 -1.06 0.72 -1.07 0.00 0.00 179.97 178.64 2x4a n HIS 523 N -4.52 0.00 -4.30 3.04 8.25 -0.70 -5.02 115.22 111.98 2x4a n HIS 523 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2x4a n HIS 523 Cb 0.13 -0.11 -0.15 0.00 1.12 0.00 0.00 29.99 30.98 2x4a n HIS 523 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x4a s ALA 524 N -2.25 0.66 0.63 -1.41 0.00 -0.05 -4.68 121.76 114.65 2x4a s ALA 524 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.49 2x4a s ALA 524 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2x4a s ALA 524 CO 0.26 0.16 1.01 0.95 0.00 0.00 0.00 175.76 178.15 2x4a s THR 525 N -0.22 4.29 0.39 0.00 -4.23 -1.26 -4.14 115.64 110.47 2x4a s THR 525 Ca 0.03 0.62 0.08 0.00 -1.18 0.00 0.00 61.69 61.24 2x4a s THR 525 Cb -0.03 -3.72 0.30 0.00 1.34 0.00 0.00 72.50 70.39 2x4a s THR 525 CO -0.00 -0.91 1.97 0.58 -0.54 0.00 0.00 174.62 175.72 2x4a h VAL 526 N -0.35 0.99 -0.53 2.29 2.07 -1.98 -1.38 116.25 117.36 2x4a h VAL 526 Ca -0.45 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 66.92 2x4a h VAL 526 Cb 1.22 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2x4a h VAL 526 CO 0.62 0.12 0.23 -0.61 0.02 0.00 0.00 177.57 177.95 2x4a h GLN 527 N 0.63 0.42 -0.45 1.57 5.75 -1.97 -2.51 115.11 118.55 2x4a h GLN 527 Ca 0.29 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.65 2x4a h GLN 527 Cb 0.33 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2x4a h GLN 527 CO -0.09 0.28 -0.17 -0.09 -2.65 0.00 0.00 178.83 176.11 2x4a h ARG 528 N 0.44 0.90 -0.19 1.69 9.65 -1.64 -1.90 114.38 123.33 2x4a h ARG 528 Ca 0.25 -0.37 -0.12 0.00 -1.10 0.00 0.00 59.98 58.63 2x4a h ARG 528 Cb 0.22 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 2x4a h ARG 528 CO -0.21 1.03 -0.40 0.82 2.80 0.00 0.00 179.97 184.00 2x4a h ILE 529 N 0.74 1.30 -0.58 1.20 2.04 -1.40 -1.44 117.51 119.37 2x4a h ILE 529 Ca 0.11 -1.54 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 2x4a h ILE 529 Cb 0.73 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2x4a h ILE 529 CO 0.06 0.48 0.20 0.77 0.00 0.00 0.00 178.15 179.65 2x4a h SER 530 N 0.37 0.82 -0.97 1.72 4.64 -1.11 -1.68 113.55 117.34 2x4a h SER 530 Ca 0.03 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2x4a h SER 530 Cb 0.86 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 2x4a h SER 530 CO 0.07 0.80 0.64 -0.33 -0.87 0.00 0.00 176.83 177.14 2x4a h GLU 531 N 0.80 1.27 -0.20 4.77 5.08 -0.95 -0.40 114.58 124.95 2x4a h GLU 531 Ca 0.19 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2x4a h GLU 531 Cb 0.26 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2x4a h GLU 531 CO -0.01 0.84 0.03 0.28 -1.00 0.00 0.00 179.01 179.16 2x4a h VAL 532 N 1.31 1.22 -0.57 3.13 2.07 -0.76 -1.56 116.25 121.10 2x4a h VAL 532 Ca 0.36 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2x4a h VAL 532 Cb -0.14 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2x4a h VAL 532 CO -0.08 0.23 0.17 -0.07 0.02 0.00 0.00 177.57 177.84 2x4a h LEU 533 N 0.13 0.84 -0.96 2.57 3.38 -1.05 -0.81 115.31 119.40 2x4a h LEU 533 Ca 0.06 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2x4a h LEU 533 Cb 0.31 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2x4a h LEU 533 CO 0.00 0.83 0.62 1.56 0.09 0.00 0.00 178.44 181.54 2x4a h GLN 534 N 0.80 1.14 -0.05 1.13 4.20 -0.94 -1.42 115.11 119.98 2x4a h GLN 534 Ca 0.18 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 2x4a h GLN 534 Cb 0.30 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2x4a h GLN 534 CO -0.00 0.75 -0.75 0.00 -0.67 0.00 0.00 178.83 178.16 2x4a h ARG 535 N 1.17 0.31 -0.00 1.46 3.08 -0.27 -0.12 114.38 120.01 2x4a h ARG 535 Ca 0.40 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2x4a h ARG 535 Cb 0.07 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2x4a h ARG 535 CO -0.14 0.93 0.00 -0.07 -1.07 0.00 0.00 179.97 179.62 2x4a h LEU 536 N 0.21 0.01 -0.45 3.04 3.38 -1.01 -3.20 115.31 117.28 2x4a h LEU 536 Ca -0.03 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 2x4a h LEU 536 Cb 1.33 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2x4a h LEU 536 CO 0.12 0.11 -0.50 -0.07 0.09 0.00 0.00 178.44 178.19 2x4a h LEU 537 N -0.10 0.81 -2.72 1.67 3.38 -1.01 -1.03 115.31 116.31 2x4a h LEU 537 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2x4a h LEU 537 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2x4a h LEU 537 CO -0.00 1.16 0.05 0.77 0.09 0.00 0.00 178.44 180.51 2x4a h SER 538 N 0.58 0.00 -0.32 -0.43 4.64 -1.06 0.19 113.55 117.15 2x4a h SER 538 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2x4a h SER 538 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2x4a h SER 538 CO 0.10 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.44 2x4a n GLU 539 N -3.30 3.06 -1.67 4.77 1.02 -0.91 -4.35 120.64 119.27 2x4a n GLU 539 Ca -0.03 -2.67 -0.08 0.00 -0.02 0.00 0.00 57.16 54.36 2x4a n GLU 539 Cb 0.12 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.79 2x4a n GLU 539 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2x4a n ARG 540 N -0.12 -0.60 -3.48 3.49 1.74 0.67 -4.96 116.66 113.40 2x4a n ARG 540 Ca 0.20 0.60 -0.37 0.00 -0.77 0.00 0.00 57.85 57.50 2x4a n ARG 540 Cb 0.80 -4.49 -0.08 0.00 -1.02 0.00 0.00 32.46 27.67 2x4a n ARG 540 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2x4a s VAL 541 N -2.35 5.26 0.48 1.55 1.01 -0.44 -4.98 120.40 120.93 2x4a s VAL 541 Ca 0.00 0.53 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 2x4a s VAL 541 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2x4a s VAL 541 CO 0.00 0.29 1.22 -0.55 0.00 0.00 0.00 175.10 176.06 2x4a s SER 542 N 1.00 5.95 -0.25 3.32 0.15 -1.26 -3.62 113.70 118.99 2x4a s SER 542 Ca 0.15 2.45 0.09 0.00 0.70 0.00 0.00 55.95 59.34 2x4a s SER 542 Cb -0.14 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.00 2x4a s SER 542 CO 0.06 -1.08 1.29 1.33 1.20 0.00 0.00 173.24 176.05 2x4a n VAL 543 N -0.58 2.38 0.65 4.45 0.24 -0.67 -4.73 118.33 120.08 2x4a n VAL 543 Ca 0.08 -3.29 0.12 0.00 -2.04 0.00 0.00 64.34 59.20 2x4a n VAL 543 Cb 0.47 -0.43 0.46 0.00 -1.47 0.00 0.00 33.84 32.87 2x4a n VAL 543 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2x4a n ARG 544 N -1.05 0.10 -3.75 7.34 1.85 -1.18 -4.05 116.66 115.93 2x4a n ARG 544 Ca 0.28 0.21 -0.31 0.00 -1.00 0.00 0.00 57.85 57.03 2x4a n ARG 544 Cb 0.82 -1.65 -0.09 0.00 -1.05 0.00 0.00 32.46 30.49 2x4a n ARG 544 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2x4a n ASN 545 N -1.84 3.57 0.16 2.89 2.85 -1.26 -4.87 115.26 116.76 2x4a n ASN 545 Ca 0.05 -3.22 0.01 0.00 -0.11 0.00 0.00 54.58 51.31 2x4a n ASN 545 Cb 0.29 -0.86 0.24 0.00 1.24 0.00 0.00 39.78 40.70 2x4a n ASN 545 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 2x4a h MET 546 N 5.45 0.00 -0.20 1.20 1.85 -1.98 -2.32 114.93 118.94 2x4a h MET 546 Ca 0.16 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.27 2x4a h MET 546 Cb 0.76 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.76 2x4a h MET 546 CO 0.79 0.52 0.06 -0.22 -0.40 0.00 0.00 176.91 177.65 2x4a h LYS 547 N 0.00 0.14 0.03 0.39 3.64 -1.94 0.06 116.57 118.88 2x4a h LYS 547 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2x4a h LYS 547 Cb 1.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2x4a h LYS 547 CO 0.07 0.09 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.25 2x4a h LEU 548 N 0.14 -0.03 -0.73 5.20 3.38 -1.91 -1.37 115.31 120.00 2x4a h LEU 548 Ca 0.09 -0.40 0.14 0.00 0.09 0.00 0.00 57.88 57.80 2x4a h LEU 548 Cb 0.07 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 2x4a h LEU 548 CO -0.10 0.39 0.24 0.40 0.09 0.00 0.00 178.44 179.47 2x4a h ILE 549 N -0.47 0.61 -0.34 1.22 2.04 -1.43 -0.74 117.51 118.40 2x4a h ILE 549 Ca -0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2x4a h ILE 549 Cb 0.44 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2x4a h ILE 549 CO 0.01 0.07 0.07 0.24 0.00 0.00 0.00 178.15 178.53 2x4a h MET 550 N 0.37 0.56 -0.84 2.37 2.86 -0.85 0.18 114.93 119.57 2x4a h MET 550 Ca 0.40 -0.14 0.09 0.00 -2.06 0.00 0.00 59.70 57.99 2x4a h MET 550 Cb 0.63 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 2x4a h MET 550 CO -0.43 0.62 0.49 0.93 1.06 0.00 0.00 176.91 179.58 2x4a h GLU 551 N 0.40 0.79 -0.77 1.72 5.08 -0.40 0.49 114.58 121.89 2x4a h GLU 551 Ca 0.11 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2x4a h GLU 551 Cb 0.33 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2x4a h GLU 551 CO 0.00 0.53 0.28 0.00 -1.00 0.00 0.00 179.01 178.82 2x4a h ALA 552 N 1.46 1.00 -0.65 3.43 0.00 -0.84 -2.04 119.26 121.62 2x4a h ALA 552 Ca 0.40 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2x4a h ALA 552 Cb 0.36 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2x4a h ALA 552 CO -0.24 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.73 2x4a h LEU 553 N 1.12 0.97 -0.97 0.00 3.38 0.22 -2.30 115.31 117.74 2x4a h LEU 553 Ca 0.25 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.17 2x4a h LEU 553 Cb 0.25 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 2x4a h LEU 553 CO -0.02 0.95 0.58 0.00 0.09 0.00 0.00 178.44 180.04 2x4a h ALA 554 N 1.17 1.50 0.03 1.53 0.00 0.46 0.61 119.26 124.57 2x4a h ALA 554 Ca 0.20 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2x4a h ALA 554 Cb 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2x4a h ALA 554 CO 0.00 0.08 -0.53 1.25 0.00 0.00 0.00 179.25 180.05 2x4a h LEU 555 N 0.84 0.41 0.00 0.00 5.85 -1.20 -3.40 115.31 117.81 2x4a h LEU 555 Ca 0.51 -0.83 -0.36 0.00 0.84 0.00 0.00 57.88 58.04 2x4a h LEU 555 Cb 0.64 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 2x4a h LEU 555 CO -0.32 1.19 -2.36 0.79 -0.34 0.00 0.00 178.44 177.40 2x4a n TRP 556 N -4.29 0.00 -0.31 1.25 7.02 -0.88 -4.49 117.44 115.74 2x4a n TRP 556 Ca -0.11 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.39 2x4a n TRP 556 Cb 0.66 -0.98 0.15 0.00 -2.42 0.00 0.00 31.31 28.72 2x4a n TRP 556 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2x4a h ALA 557 N 0.94 1.20 -0.40 6.99 0.00 -1.10 0.18 119.26 127.07 2x4a h ALA 557 Ca -0.54 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 2x4a h ALA 557 Cb 2.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2x4a h ALA 557 CO 0.02 0.24 -0.08 -1.00 0.00 0.00 0.00 179.25 178.43 2x4a h PRO 558 N 0.94 0.69 0.00 0.00 0.13 -1.79 -3.00 132.00 128.96 2x4a h PRO 558 Ca 0.39 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 2x4a h PRO 558 Cb 0.23 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 2x4a h PRO 558 CO -0.20 0.76 -0.12 0.00 -0.23 0.00 0.00 178.00 178.21 2x4a h ARG 559 N 0.63 0.00 -2.99 0.86 -0.00 -0.97 -3.43 114.38 108.48 2x4a h ARG 559 Ca 0.12 0.00 -0.42 0.00 -0.50 0.00 0.00 59.98 59.18 2x4a h ARG 559 Cb 0.52 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 30.09 2x4a h ARG 559 CO 0.03 0.12 -0.72 -2.00 0.00 0.00 0.00 179.97 177.40 2x4a s GLU 560 N -3.79 0.07 0.00 0.04 2.56 -0.06 -4.99 118.70 112.53 2x4a s GLU 560 Ca -0.00 0.05 0.20 0.00 0.00 0.00 0.00 54.97 55.22 2x4a s GLU 560 Cb 0.10 -1.51 -0.01 0.00 2.00 0.00 0.00 34.13 34.72 2x4a s GLU 560 CO 0.58 -0.61 1.01 1.63 -0.56 0.00 0.00 175.26 177.31 2x4a n LYS 561 N 5.29 1.36 -3.24 4.30 4.76 -1.26 -4.65 118.16 124.72 2x4a n LYS 561 Ca -0.06 -0.93 -0.42 0.00 -2.87 0.00 0.00 58.31 54.03 2x4a n LYS 561 Cb 0.49 -1.41 -0.08 0.00 -1.84 0.00 0.00 35.03 32.19 2x4a n LYS 561 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2x4a s ASP 562 N -2.30 6.28 0.30 4.39 2.15 -1.26 -4.99 116.67 121.25 2x4a s ASP 562 Ca 0.17 -0.27 0.04 0.00 0.43 0.00 0.00 52.55 52.92 2x4a s ASP 562 Cb 0.16 -2.27 0.66 0.00 -0.30 0.00 0.00 42.92 41.18 2x4a s ASP 562 CO 0.52 -0.57 1.82 1.62 -0.17 0.00 0.00 175.17 178.39 2x4a h VAL 563 N 5.70 0.82 -0.00 1.11 3.04 -1.99 -0.73 116.25 124.20 2x4a h VAL 563 Ca -0.27 -0.30 0.01 0.00 -1.01 0.00 0.00 66.70 65.13 2x4a h VAL 563 Cb 1.12 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2x4a h VAL 563 CO 0.80 0.16 -0.05 0.40 -1.01 0.00 0.00 177.57 177.87 2x4a h ILE 564 N 0.87 0.87 -0.71 3.17 1.08 -1.99 -0.94 117.51 119.85 2x4a h ILE 564 Ca 0.52 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.94 2x4a h ILE 564 Cb 0.69 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 2x4a h ILE 564 CO -0.30 0.00 0.25 0.78 -0.69 0.00 0.00 178.15 178.19 2x4a h ASN 565 N -0.09 1.01 -0.39 1.72 4.21 -1.71 -2.77 115.58 117.57 2x4a h ASN 565 Ca 0.02 -0.19 0.05 0.00 1.21 0.00 0.00 56.30 57.38 2x4a h ASN 565 Cb 0.11 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.00 2x4a h ASN 565 CO -0.05 0.94 0.13 0.25 -1.29 0.00 0.00 177.43 177.41 2x4a h LEU 566 N 1.04 0.14 -0.68 1.61 5.85 -0.89 -1.61 115.31 120.76 2x4a h LEU 566 Ca 0.23 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2x4a h LEU 566 Cb 0.27 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2x4a h LEU 566 CO -0.01 0.12 0.39 0.58 -0.34 0.00 0.00 178.44 179.17 2x4a h VAL 567 N 0.29 1.20 -0.92 1.05 2.07 -1.02 0.12 116.25 119.05 2x4a h VAL 567 Ca 0.18 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2x4a h VAL 567 Cb 0.16 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2x4a h VAL 567 CO -0.19 0.22 0.60 -0.33 0.02 0.00 0.00 177.57 177.89 2x4a h GLU 568 N 0.92 1.09 -0.26 1.57 4.39 -1.18 0.28 114.58 121.40 2x4a h GLU 568 Ca 0.24 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 2x4a h GLU 568 Cb 0.00 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 2x4a h GLU 568 CO -0.04 0.72 -0.38 0.45 -1.16 0.00 0.00 179.01 178.60 2x4a h HIS 569 N 1.13 0.88 -0.67 4.33 3.86 -0.19 -1.14 115.15 123.35 2x4a h HIS 569 Ca 0.37 -0.29 0.09 0.00 -1.16 0.00 0.00 60.37 59.38 2x4a h HIS 569 Cb 0.06 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 2x4a h HIS 569 CO -0.00 1.06 0.45 0.82 0.86 0.00 0.00 177.93 181.12 2x4a h ILE 570 N 0.44 0.94 -0.19 2.45 1.08 -0.43 0.13 117.51 121.92 2x4a h ILE 570 Ca 0.03 -0.19 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 2x4a h ILE 570 Cb 0.97 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2x4a h ILE 570 CO 0.09 0.10 -0.09 0.03 -0.69 0.00 0.00 178.15 177.59 2x4a h ARG 571 N 0.57 0.40 -0.25 2.37 3.08 -0.65 -0.22 114.38 119.68 2x4a h ARG 571 Ca 0.31 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.24 2x4a h ARG 571 Cb 0.45 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 2x4a h ARG 571 CO -0.10 0.69 -0.18 0.78 -1.07 0.00 0.00 179.97 180.09 2x4a h GLY 572 N 0.09 -0.03 1.33 0.04 0.00 -0.26 -1.78 103.07 102.46 2x4a h GLY 572 Ca 0.04 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.65 2x4a h GLY 572 CO 0.03 -0.18 0.33 0.00 0.00 0.00 0.00 176.54 176.72 2x4a h ALA 573 N 0.96 1.85 -0.42 3.60 0.00 -0.58 -2.27 119.26 122.41 2x4a h ALA 573 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2x4a h ALA 573 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2x4a h ALA 573 CO -0.35 0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.64 2x4a n MET 574 N -4.48 2.62 -0.16 0.00 2.00 -0.11 -4.75 117.12 112.24 2x4a n MET 574 Ca 0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 57.70 55.95 2x4a n MET 574 Cb 0.21 -1.61 -0.04 0.00 0.00 0.00 0.00 33.22 31.78 2x4a n MET 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2x4a n ALA 575 N 0.65 -0.24 -0.29 3.04 0.00 -0.75 -1.31 120.51 121.62 2x4a n ALA 575 Ca 0.16 0.32 0.11 0.00 0.00 0.00 0.00 53.44 54.03 2x4a n ALA 575 Cb 0.57 0.18 0.27 0.00 0.00 0.00 0.00 19.45 20.47 2x4a n ALA 575 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2x4a h ARG 576 N 0.00 0.32 -0.48 0.00 2.43 -1.85 -0.10 114.38 114.69 2x4a h ARG 576 Ca 0.06 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2x4a h ARG 576 Cb 0.16 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2x4a h ARG 576 CO -0.36 0.21 -0.12 1.88 -1.51 0.00 0.00 179.97 180.07 2x4a h TYR 577 N 0.33 1.05 -0.34 2.20 0.05 -1.57 -1.32 116.97 117.38 2x4a h TYR 577 Ca 0.52 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 59.03 2x4a h TYR 577 Cb 0.97 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2x4a h TYR 577 CO -0.20 1.01 0.07 0.82 -1.05 0.00 0.00 178.16 178.81 2x4a h ILE 578 N 0.78 1.23 -0.29 -2.88 2.04 -0.77 -2.23 117.51 115.39 2x4a h ILE 578 Ca 0.12 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2x4a h ILE 578 Cb 0.68 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2x4a h ILE 578 CO 0.05 0.26 0.15 0.00 0.00 0.00 0.00 178.15 178.62 2x4a h HIS 580 N 0.32 0.57 -0.14 0.00 2.76 -1.09 -2.11 115.15 115.46 2x4a h HIS 580 Ca 0.12 -0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.08 2x4a h HIS 580 Cb 0.02 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 28.80 2x4a h HIS 580 CO -0.09 0.43 -0.69 -0.22 -1.30 0.00 0.00 177.93 176.06 2x4a h LYS 581 N 0.59 0.72 0.00 5.26 3.64 -1.05 -2.93 116.57 122.80 2x4a h LYS 581 Ca 0.15 -0.58 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 2x4a h LYS 581 Cb 0.07 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2x4a h LYS 581 CO -0.02 1.20 -0.37 0.74 -2.27 0.00 0.00 179.45 178.73 2x4a h PHE 582 N 0.42 0.00 0.00 1.91 0.04 -1.33 -2.93 116.94 115.05 2x4a h PHE 582 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2x4a h PHE 582 Cb 1.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 2x4a h PHE 582 CO 0.10 0.37 -0.05 0.00 -0.60 0.00 0.00 178.31 178.12 2x4a h ALA 583 N 1.63 1.15 -0.57 2.45 0.00 -1.19 -3.46 119.26 119.27 2x4a h ALA 583 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2x4a h ALA 583 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2x4a h ALA 583 CO 0.05 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.46 2x4a n ASN 584 N -3.38 0.00 -2.21 0.00 3.02 -1.11 -1.52 115.26 110.07 2x4a n ASN 584 Ca -0.02 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.26 2x4a n ASN 584 Cb 0.20 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.51 2x4a n ASN 584 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4a n GLY 585 N 0.00 5.07 2.25 7.41 0.00 -1.26 -4.82 105.19 113.84 2x4a n GLY 585 Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 2x4a n GLY 585 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x4a n GLY 586 N -1.06 2.88 3.73 -0.02 0.00 -0.58 -5.15 105.19 104.99 2x4a n GLY 586 Ca 0.59 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 2x4a n GLY 586 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2x4a n GLU 587 N -0.42 1.68 -3.38 1.61 0.28 -1.26 -4.67 120.64 114.49 2x4a n GLU 587 Ca 0.03 0.62 -0.40 0.00 -0.16 0.00 0.00 57.16 57.25 2x4a n GLU 587 Cb 0.41 -2.53 -0.09 0.00 1.43 0.00 0.00 31.44 30.66 2x4a n GLU 587 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2x4a s LEU 588 N -3.13 4.24 -0.25 -1.84 2.96 0.85 -4.86 118.68 116.65 2x4a s LEU 588 Ca 0.70 0.02 -0.20 0.00 -0.22 0.00 0.00 54.13 54.43 2x4a s LEU 588 Cb -0.43 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2x4a s LEU 588 CO 0.50 -0.28 0.63 -0.13 -1.32 0.00 0.00 176.35 175.75 2x4a s ARG 589 N 2.08 4.11 -0.02 1.98 0.52 -1.26 0.17 118.95 126.53 2x4a s ARG 589 Ca 0.14 0.55 0.05 0.00 -0.52 0.00 0.00 55.73 55.95 2x4a s ARG 589 Cb -0.16 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 2x4a s ARG 589 CO 0.11 -0.41 -0.17 0.00 0.02 0.00 0.00 175.30 174.85 2x4a s ALA 590 N 2.49 1.45 -0.33 2.13 0.00 -0.46 -2.08 121.76 124.96 2x4a s ALA 590 Ca 0.26 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2x4a s ALA 590 Cb -0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 2x4a s ALA 590 CO 0.08 0.33 0.18 0.08 0.00 0.00 0.00 175.76 176.44 2x4a s VAL 591 N -0.30 4.74 -0.03 0.00 1.01 0.48 -0.35 120.40 125.95 2x4a s VAL 591 Ca 0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2x4a s VAL 591 Cb -0.08 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2x4a s VAL 591 CO -0.00 -0.01 0.94 -0.32 0.00 0.00 0.00 175.10 175.71 2x4a s MET 592 N 1.63 4.51 -0.09 2.72 1.75 -0.08 -1.38 119.30 128.36 2x4a s MET 592 Ca 0.04 1.32 -0.30 0.00 -1.25 0.00 0.00 55.69 55.51 2x4a s MET 592 Cb -0.17 -3.47 -0.02 0.00 2.84 0.00 0.00 34.83 34.00 2x4a s MET 592 CO 0.07 -0.08 1.07 0.08 -0.65 0.00 0.00 175.02 175.52 2x4a s VAL 593 N 1.16 4.60 0.81 10.11 1.01 -0.26 0.80 120.40 138.62 2x4a s VAL 593 Ca 0.49 1.89 -0.11 0.00 0.00 0.00 0.00 61.98 64.25 2x4a s VAL 593 Cb -0.20 -4.21 0.08 0.00 0.00 0.00 0.00 36.38 32.05 2x4a s VAL 593 CO 0.25 -0.00 1.09 -0.94 0.00 0.00 0.00 175.10 175.50 2x4a s SER 594 N 1.23 4.17 0.49 3.32 1.04 0.14 -4.79 113.70 119.30 2x4a s SER 594 Ca 0.51 1.73 0.20 0.00 0.48 0.00 0.00 55.95 58.87 2x4a s SER 594 Cb -0.20 -2.41 1.25 0.00 0.10 0.00 0.00 66.02 64.76 2x4a s SER 594 CO 0.19 -2.24 2.06 0.00 0.98 0.00 0.00 173.24 174.23 2x4a h ALA 595 N -1.27 1.57 0.13 5.32 0.00 -1.96 -1.62 119.26 121.43 2x4a h ALA 595 Ca -0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2x4a h ALA 595 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2x4a h ALA 595 CO 0.52 0.16 -0.06 0.93 0.00 0.00 0.00 179.25 180.80 2x4a h GLU 596 N 0.00 -0.16 -0.23 0.00 3.07 -1.91 -0.80 114.58 114.54 2x4a h GLU 596 Ca -0.00 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2x4a h GLU 596 Cb 0.27 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2x4a h GLU 596 CO 0.02 -0.02 -0.02 0.28 -1.40 0.00 0.00 179.01 177.87 2x4a h VAL 597 N -0.27 1.27 -0.81 3.13 2.07 -1.75 -2.40 116.25 117.49 2x4a h VAL 597 Ca -0.02 -0.95 0.20 0.00 0.82 0.00 0.00 66.70 66.75 2x4a h VAL 597 Cb 0.22 1.43 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 2x4a h VAL 597 CO 0.03 0.29 0.12 -0.08 0.02 0.00 0.00 177.57 177.96 2x4a h GLU 598 N 0.18 0.17 -0.09 1.57 4.81 -1.23 -2.08 114.58 117.91 2x4a h GLU 598 Ca 0.06 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 2x4a h GLU 598 Cb 0.44 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2x4a h GLU 598 CO 0.02 0.11 -0.67 0.22 -0.73 0.00 0.00 179.01 177.96 2x4a h ASP 599 N 0.17 0.43 -0.93 1.04 3.58 -0.65 0.11 116.42 120.16 2x4a h ASP 599 Ca 0.47 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.70 2x4a h ASP 599 Cb 0.88 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.75 2x4a h ASP 599 CO -0.64 0.97 0.61 0.58 -2.88 0.00 0.00 179.24 177.88 2x4a h VAL 600 N 0.26 1.13 -0.09 2.25 2.07 -1.03 0.67 116.25 121.51 2x4a h VAL 600 Ca -0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2x4a h VAL 600 Cb 1.21 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2x4a h VAL 600 CO 0.11 0.21 -0.02 0.40 0.02 0.00 0.00 177.57 178.29 2x4a h ILE 601 N 1.14 1.28 -0.94 4.57 1.08 -1.10 -2.45 117.51 121.10 2x4a h ILE 601 Ca 0.38 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.94 2x4a h ILE 601 Cb 0.07 1.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.48 2x4a h ILE 601 CO -0.13 0.26 0.61 -0.09 -0.69 0.00 0.00 178.15 178.12 2x4a h ARG 602 N -0.14 1.24 0.00 2.37 2.43 -0.42 -1.02 114.38 118.84 2x4a h ARG 602 Ca 0.02 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2x4a h ARG 602 Cb 0.41 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2x4a h ARG 602 CO 0.01 0.83 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.03 2x4a h LYS 603 N 1.27 0.00 0.00 0.20 3.64 -0.89 -2.66 116.57 118.13 2x4a h LYS 603 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2x4a h LYS 603 Cb -0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2x4a h LYS 603 CO -0.07 0.05 -0.35 0.41 -2.27 0.00 0.00 179.45 177.21 2x4a n GLY 604 N 0.53 -1.47 3.72 5.01 0.00 -0.42 -4.93 105.19 107.63 2x4a n GLY 604 Ca 0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2x4a n GLY 604 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x4a s ILE 605 N -3.09 2.03 0.46 -0.61 1.01 -0.97 -2.39 121.20 117.64 2x4a s ILE 605 Ca 0.09 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2x4a s ILE 605 Cb 0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2x4a s ILE 605 CO 0.66 0.00 0.04 -0.13 0.00 0.00 0.00 174.94 175.51 2x4a s ARG 606 N 0.92 2.06 -0.30 2.79 3.00 0.73 -4.92 118.95 123.23 2x4a s ARG 606 Ca 0.73 -2.27 -0.15 0.00 0.00 0.00 0.00 55.73 54.04 2x4a s ARG 606 Cb -0.49 -1.25 0.15 0.00 0.00 0.00 0.00 34.95 33.36 2x4a s ARG 606 CO 0.34 -0.34 0.96 -1.14 0.00 0.00 0.00 175.30 175.12 2x4a s GLN 607 N -3.81 0.35 -0.20 3.54 -0.44 -1.26 -2.20 119.66 115.63 2x4a s GLN 607 Ca 0.16 0.77 -0.17 0.00 -2.50 0.00 0.00 55.36 53.62 2x4a s GLN 607 Cb 0.03 0.35 -0.08 0.00 -1.64 0.00 0.00 33.01 31.68 2x4a s GLN 607 CO 0.09 -0.10 -0.35 0.25 0.50 0.00 0.00 175.29 175.68 2x4a n THR 608 N 4.58 1.50 0.06 -0.34 -2.24 -1.26 -5.06 114.28 111.53 2x4a n THR 608 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2x4a n THR 608 Cb 0.54 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 2x4a n THR 608 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2x4a n SER 609 N -4.40 -0.77 -0.96 3.42 7.64 -1.26 -5.10 113.62 112.20 2x4a n SER 609 Ca -0.25 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2x4a n SER 609 Cb 0.61 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 2x4a n SER 609 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4a n GLY 610 N -0.03 -1.96 0.00 0.23 0.00 -1.26 -4.99 105.19 97.18 2x4a n GLY 610 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2x4a n GLY 610 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x4a n SER 611 N 0.00 0.00 -4.53 1.61 3.41 -1.26 -5.03 113.62 107.82 2x4a n SER 611 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2x4a n SER 611 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2x4a n SER 611 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2x4a s THR 612 N 0.00 3.72 0.17 6.66 -1.32 -1.26 -4.28 115.64 119.34 2x4a s THR 612 Ca 0.00 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2x4a s THR 612 Cb 0.00 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2x4a s THR 612 CO 0.00 0.55 0.05 0.72 -2.21 0.00 0.00 174.62 173.74 2x4a s PHE 613 N -0.24 1.11 -0.08 9.09 -0.12 -0.93 -4.98 117.98 121.82 2x4a s PHE 613 Ca 0.03 -1.18 -0.18 0.00 -0.05 0.00 0.00 56.93 55.55 2x4a s PHE 613 Cb -0.13 -0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 41.60 2x4a s PHE 613 CO 0.03 -0.41 0.49 -1.17 -0.05 0.00 0.00 175.22 174.10 2x4a s LEU 614 N -3.14 4.33 -0.30 -1.99 2.96 -1.26 -0.20 118.68 119.07 2x4a s LEU 614 Ca 0.28 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 55.08 2x4a s LEU 614 Cb 0.07 -2.72 0.10 0.00 0.50 0.00 0.00 46.19 44.13 2x4a s LEU 614 CO 0.06 0.06 0.08 -0.55 -1.32 0.00 0.00 176.35 174.68 2x4a s SER 615 N 0.28 4.05 0.03 3.68 0.15 -1.01 -4.92 113.70 115.96 2x4a s SER 615 Ca 0.27 -1.64 0.08 0.00 0.70 0.00 0.00 55.95 55.36 2x4a s SER 615 Cb -0.16 -0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 2x4a s SER 615 CO 0.12 -0.40 -0.25 -0.76 1.20 0.00 0.00 173.24 173.15 2x4a s LEU 616 N 1.54 2.14 0.38 3.45 1.43 -1.26 -4.61 118.68 121.75 2x4a s LEU 616 Ca 0.09 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 2x4a s LEU 616 Cb -0.17 -1.22 -0.12 0.00 0.03 0.00 0.00 46.19 44.70 2x4a s LEU 616 CO -0.22 0.25 0.83 0.47 0.23 0.00 0.00 176.35 177.92 2x4a n ASP 617 N 1.97 0.43 -0.30 2.29 9.92 -1.26 -4.78 116.55 124.82 2x4a n ASP 617 Ca -0.17 1.03 0.12 0.00 -0.53 0.00 0.00 54.79 55.25 2x4a n ASP 617 Cb 0.52 -1.24 0.28 0.00 -0.64 0.00 0.00 41.12 40.04 2x4a n ASP 617 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2x4a h PRO 618 N 1.36 0.19 -0.10 -0.24 0.11 -1.99 0.12 132.00 131.45 2x4a h PRO 618 Ca -0.41 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.48 2x4a h PRO 618 Cb 1.36 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2x4a h PRO 618 CO 0.56 0.13 -0.79 1.49 -0.21 0.00 0.00 178.00 179.17 2x4a h GLU 619 N 0.19 0.60 0.06 1.05 4.81 -1.99 -1.02 114.58 118.28 2x4a h GLU 619 Ca 0.54 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2x4a h GLU 619 Cb 1.08 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2x4a h GLU 619 CO -0.66 1.13 -0.03 0.00 -0.73 0.00 0.00 179.01 178.72 2x4a h ALA 620 N 0.72 -0.08 -0.41 2.92 0.00 -1.75 -1.66 119.26 119.00 2x4a h ALA 620 Ca -0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2x4a h ALA 620 Cb 1.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2x4a h ALA 620 CO 0.15 -0.50 0.01 0.66 0.00 0.00 0.00 179.25 179.57 2x4a h SER 621 N -0.16 0.69 -0.76 0.00 4.64 -1.00 -1.95 113.55 115.01 2x4a h SER 621 Ca -0.01 -0.30 0.10 0.00 -0.47 0.00 0.00 61.79 61.11 2x4a h SER 621 Cb 0.14 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.99 2x4a h SER 621 CO 0.01 0.82 0.50 0.00 -0.87 0.00 0.00 176.83 177.29 2x4a h ALA 622 N 0.89 1.83 -0.19 5.18 0.00 -1.17 -0.84 119.26 124.95 2x4a h ALA 622 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2x4a h ALA 622 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2x4a h ALA 622 CO 0.02 0.01 -0.32 -0.97 0.00 0.00 0.00 179.25 177.98 2x4a h ASN 623 N 0.65 0.62 -0.87 0.00 -1.24 -0.89 -0.42 115.58 113.44 2x4a h ASN 623 Ca 0.35 -0.53 0.08 0.00 0.71 0.00 0.00 56.30 56.91 2x4a h ASN 623 Cb 0.49 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.31 2x4a h ASN 623 CO -0.13 1.03 0.56 -0.07 -1.29 0.00 0.00 177.43 177.54 2x4a h LEU 624 N 0.23 0.83 -0.52 0.34 4.07 -1.14 -2.17 115.31 116.94 2x4a h LEU 624 Ca 0.01 0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.82 2x4a h LEU 624 Cb 0.91 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 2x4a h LEU 624 CO 0.07 0.52 -0.68 0.24 -1.08 0.00 0.00 178.44 177.51 2x4a h MET 625 N 0.93 0.29 0.00 1.13 2.86 -0.67 -1.97 114.93 117.50 2x4a h MET 625 Ca 0.38 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2x4a h MET 625 Cb 0.28 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2x4a h MET 625 CO -0.15 0.86 -0.48 -0.44 1.06 0.00 0.00 176.91 177.76 2x4a h ASP 626 N 0.20 0.00 -0.01 1.22 3.32 -0.82 0.02 116.42 120.35 2x4a h ASP 626 Ca -0.02 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2x4a h ASP 626 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2x4a h ASP 626 CO 0.11 0.48 -0.20 0.25 -1.72 0.00 0.00 179.24 178.16 2x4a h LEU 627 N 0.00 0.20 -0.31 1.55 5.85 -0.86 -2.20 115.31 119.54 2x4a h LEU 627 Ca -0.00 -0.74 0.03 0.00 0.84 0.00 0.00 57.88 58.01 2x4a h LEU 627 Cb 0.90 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2x4a h LEU 627 CO 0.06 0.91 0.11 0.40 -0.34 0.00 0.00 178.44 179.58 2x4a h ILE 628 N -0.49 0.92 -0.32 4.05 2.04 -1.40 -0.73 117.51 121.58 2x4a h ILE 628 Ca -0.02 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2x4a h ILE 628 Cb 0.93 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2x4a h ILE 628 CO 0.04 0.04 0.04 0.74 0.00 0.00 0.00 178.15 179.02 2x4a h THR 629 N 0.24 0.82 0.00 -0.27 2.02 -0.97 -1.50 112.91 113.26 2x4a h THR 629 Ca 0.14 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.11 2x4a h THR 629 Cb 0.10 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2x4a h THR 629 CO -0.14 0.03 -0.86 0.17 0.37 0.00 0.00 175.52 175.09 2x4a h LEU 630 N 0.15 0.00 -0.94 2.58 8.10 -1.16 -1.44 115.31 122.60 2x4a h LEU 630 Ca 0.15 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.05 2x4a h LEU 630 Cb 0.18 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.38 2x4a h LEU 630 CO -0.21 0.65 -0.19 0.11 -4.11 0.00 0.00 178.44 174.69 2x4a h LYS 631 N 0.00 0.56 0.00 0.17 1.79 -0.91 -2.85 116.57 115.33 2x4a h LYS 631 Ca -0.05 -0.19 -0.13 0.00 -2.18 0.00 0.00 60.65 58.10 2x4a h LYS 631 Cb 1.54 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.13 2x4a h LYS 631 CO 0.08 0.72 -0.61 -0.07 -1.08 0.00 0.00 179.45 178.49 2x4a h LEU 632 N 0.50 0.00 -1.35 2.94 3.38 -1.05 -3.19 115.31 116.54 2x4a h LEU 632 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2x4a h LEU 632 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2x4a h LEU 632 CO 0.04 0.61 -0.07 0.44 0.09 0.00 0.00 178.44 179.56 2x4a h ASP 633 N 0.00 0.00 0.58 -0.43 5.19 -1.04 -2.44 116.42 118.28 2x4a h ASP 633 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2x4a h ASP 633 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2x4a h ASP 633 CO 0.08 0.07 0.00 0.47 -3.12 0.00 0.00 179.24 176.74 2x4a n ASP 634 N -3.19 0.00 -4.61 6.45 10.43 -1.12 -4.80 116.55 119.71 2x4a n ASP 634 Ca 0.00 0.17 -0.34 0.00 2.57 0.00 0.00 54.79 57.19 2x4a n ASP 634 Cb 0.34 -0.37 -0.11 0.00 1.84 0.00 0.00 41.12 42.83 2x4a n ASP 634 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2x4a s LEU 635 N -2.74 3.40 0.00 0.64 1.43 -0.92 -5.00 118.68 115.49 2x4a s LEU 635 Ca 0.18 0.03 0.27 0.00 -1.03 0.00 0.00 54.13 53.58 2x4a s LEU 635 Cb 0.15 -1.78 0.94 0.00 0.03 0.00 0.00 46.19 45.54 2x4a s LEU 635 CO 0.38 0.31 1.68 0.18 0.23 0.00 0.00 176.35 179.14 2x4a n LEU 636 N 2.57 0.91 -4.80 1.79 4.77 -1.26 -4.87 117.00 116.12 2x4a n LEU 636 Ca -0.18 -0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.21 2x4a n LEU 636 Cb 0.53 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2x4a n LEU 636 CO 0.29 0.17 0.13 -0.63 -1.33 0.00 0.00 177.39 176.02 2x4a s ILE 637 N -2.42 5.06 0.31 -0.08 1.01 -1.26 -4.69 121.20 119.12 2x4a s ILE 637 Ca 0.28 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 2x4a s ILE 637 Cb 0.20 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 2x4a s ILE 637 CO 0.48 0.51 1.41 0.00 0.00 0.00 0.00 174.94 177.34 2x4a s ALA 638 N -0.58 3.58 0.35 9.38 0.00 -1.26 -4.84 121.76 128.38 2x4a s ALA 638 Ca 0.24 1.37 0.13 0.00 0.00 0.00 0.00 51.96 53.70 2x4a s ALA 638 Cb -0.16 -3.54 0.97 0.00 0.00 0.00 0.00 23.12 20.39 2x4a s ALA 638 CO 0.13 -0.78 1.75 0.45 0.00 0.00 0.00 175.76 177.30 2x4a h HIS 639 N 4.00 0.86 0.00 0.00 -0.00 -1.92 0.69 115.15 118.77 2x4a h HIS 639 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2x4a h HIS 639 Cb 1.23 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 2x4a h HIS 639 CO 0.57 0.07 0.00 0.36 -0.00 0.00 0.00 177.93 178.93 2x4a n LYS 640 N -4.76 0.22 -0.07 2.45 2.85 -1.26 -1.54 118.16 116.05 2x4a n LYS 640 Ca 0.26 0.40 0.12 0.00 -1.05 0.00 0.00 58.31 58.04 2x4a n LYS 640 Cb 0.80 -1.89 0.34 0.00 -0.65 0.00 0.00 35.03 33.63 2x4a n LYS 640 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2x4a n ASP 641 N -2.29 2.15 -4.61 -5.58 8.00 0.23 -4.91 116.55 109.53 2x4a n ASP 641 Ca 0.03 -1.75 -0.24 0.00 0.71 0.00 0.00 54.79 53.53 2x4a n ASP 641 Cb 0.27 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.19 2x4a n ASP 641 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x4a s LEU 642 N -1.72 2.98 0.21 0.64 1.43 -0.59 -4.53 118.68 117.10 2x4a s LEU 642 Ca 0.34 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2x4a s LEU 642 Cb 0.20 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 2x4a s LEU 642 CO 0.30 -0.16 -0.01 0.68 0.23 0.00 0.00 176.35 177.38 2x4a s VAL 643 N -2.48 0.97 -0.13 -1.59 -7.23 -0.89 -4.34 120.40 104.72 2x4a s VAL 643 Ca 0.34 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.41 2x4a s VAL 643 Cb -0.02 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2x4a s VAL 643 CO 0.19 -0.40 0.12 -0.76 -0.31 0.00 0.00 175.10 173.94 2x4a s LEU 644 N -3.26 4.26 -0.12 1.32 1.02 -0.38 -0.39 118.68 121.14 2x4a s LEU 644 Ca 0.26 0.39 -0.05 0.00 0.02 0.00 0.00 54.13 54.76 2x4a s LEU 644 Cb 0.05 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 2x4a s LEU 644 CO 0.07 0.37 0.05 -0.76 0.02 0.00 0.00 176.35 176.10 2x4a s LEU 645 N -0.79 3.85 0.35 1.79 1.43 -0.48 -0.57 118.68 124.26 2x4a s LEU 645 Ca 0.14 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 2x4a s LEU 645 Cb -0.12 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.21 2x4a s LEU 645 CO 0.03 0.32 0.66 0.28 0.23 0.00 0.00 176.35 177.87 2x4a s THR 646 N -0.54 0.00 0.63 5.49 -1.32 -0.49 -1.10 115.64 118.31 2x4a s THR 646 Ca 0.10 -1.23 -0.15 0.00 -1.21 0.00 0.00 61.69 59.20 2x4a s THR 646 Cb -0.12 -2.68 -0.02 0.00 -1.51 0.00 0.00 72.50 68.17 2x4a s THR 646 CO 0.02 0.00 1.08 -0.44 -2.21 0.00 0.00 174.62 173.07 2x4a s SER 647 N -3.11 5.50 0.20 8.08 0.01 -1.26 -0.62 113.70 122.49 2x4a s SER 647 Ca 0.21 1.86 -0.11 0.00 1.31 0.00 0.00 55.95 59.22 2x4a s SER 647 Cb -0.03 -2.54 0.21 0.00 0.21 0.00 0.00 66.02 63.88 2x4a s SER 647 CO 0.14 -1.36 1.76 1.62 0.41 0.00 0.00 173.24 175.81 2x4a h VAL 648 N 0.18 0.85 0.00 3.43 3.04 -1.95 -1.78 116.25 120.02 2x4a h VAL 648 Ca -0.46 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2x4a h VAL 648 Cb 1.23 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2x4a h VAL 648 CO 0.56 0.08 0.00 -2.24 -1.01 0.00 0.00 177.57 174.96 2x4a h ASP 649 N 0.44 0.00 -0.01 3.17 2.03 -2.04 -3.11 116.42 116.91 2x4a h ASP 649 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 2x4a h ASP 649 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2x4a h ASP 649 CO -0.24 0.00 -0.20 1.33 -1.03 0.00 0.00 179.24 179.09 2x4a n VAL 650 N -2.36 0.00 -0.20 4.15 0.24 -0.98 -4.76 118.33 114.42 2x4a n VAL 650 Ca 0.03 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.34 61.90 2x4a n VAL 650 Cb 0.29 1.09 0.04 0.00 -1.47 0.00 0.00 33.84 33.79 2x4a n VAL 650 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2x4a h ARG 651 N 0.84 -0.07 -0.26 7.34 2.43 -1.26 -1.76 114.38 121.64 2x4a h ARG 651 Ca 0.00 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 2x4a h ARG 651 Cb 0.28 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2x4a h ARG 651 CO 0.00 -0.05 -0.32 -0.09 -1.51 0.00 0.00 179.97 178.00 2x4a h ARG 652 N -0.08 0.55 -0.53 0.20 2.43 -1.86 -1.79 114.38 113.31 2x4a h ARG 652 Ca 0.27 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 2x4a h ARG 652 Cb 0.51 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2x4a h ARG 652 CO -0.66 0.81 -0.14 0.74 -1.51 0.00 0.00 179.97 179.21 2x4a h PHE 653 N 0.47 1.15 -0.41 2.20 0.04 -1.72 -1.47 116.94 117.21 2x4a h PHE 653 Ca 0.06 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.43 2x4a h PHE 653 Cb 0.79 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 2x4a h PHE 653 CO 0.03 1.08 -0.31 0.82 -0.60 0.00 0.00 178.31 179.33 2x4a h ILE 654 N 0.90 1.27 -0.11 -0.55 2.04 -1.01 0.07 117.51 120.12 2x4a h ILE 654 Ca 0.13 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.54 2x4a h ILE 654 Cb 0.72 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2x4a h ILE 654 CO 0.05 0.50 -0.03 0.50 0.00 0.00 0.00 178.15 179.18 2x4a h LYS 655 N 0.77 0.00 -0.54 2.37 1.63 -1.18 -0.19 116.57 119.42 2x4a h LYS 655 Ca 0.08 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.92 2x4a h LYS 655 Cb 0.89 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 2x4a h LYS 655 CO 0.08 0.00 0.30 0.87 -3.45 0.00 0.00 179.45 177.26 2x4a h LYS 656 N 0.00 0.58 -0.74 1.90 1.79 -1.08 -2.00 116.57 117.02 2x4a h LYS 656 Ca 0.06 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2x4a h LYS 656 Cb 0.08 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 2x4a h LYS 656 CO -0.12 0.38 0.47 1.98 -1.08 0.00 0.00 179.45 181.09 2x4a h MET 657 N 0.59 0.91 0.00 3.15 4.05 -0.48 -3.30 114.93 119.86 2x4a h MET 657 Ca 0.23 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2x4a h MET 657 Cb 0.09 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2x4a h MET 657 CO -0.13 0.60 -0.92 0.44 0.23 0.00 0.00 176.91 177.13 2x4a n ILE 658 N -4.62 0.04 -0.01 1.77 -5.35 -0.13 -4.58 119.36 106.48 2x4a n ILE 658 Ca 0.08 -0.08 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 2x4a n ILE 658 Cb 0.07 0.56 -0.02 0.00 -1.74 0.00 0.00 39.64 38.51 2x4a n ILE 658 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2x4a h GLU 659 N 0.00 0.69 -0.92 6.28 4.11 -1.44 0.28 114.58 123.58 2x4a h GLU 659 Ca 0.00 -0.52 0.18 0.00 0.07 0.00 0.00 59.36 59.09 2x4a h GLU 659 Cb 0.58 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 2x4a h GLU 659 CO 0.00 1.14 0.59 0.78 0.07 0.00 0.00 179.01 181.59 2x4a h GLY 660 N 0.82 1.14 0.00 1.06 0.00 -1.81 -2.87 103.07 101.42 2x4a h GLY 660 Ca -0.03 -0.25 -0.36 0.00 0.00 0.00 0.00 47.33 46.69 2x4a h GLY 660 CO 0.14 0.02 -2.35 -2.13 0.00 0.00 0.00 176.54 172.21 2x4a n ARG 661 N -4.57 0.78 -3.34 4.80 0.63 -0.85 -4.68 116.66 109.42 2x4a n ARG 661 Ca 0.19 -0.01 -0.26 0.00 -0.92 0.00 0.00 57.85 56.86 2x4a n ARG 661 Cb 0.60 -1.51 -0.08 0.00 0.45 0.00 0.00 32.46 31.92 2x4a n ARG 661 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2x4a n PHE 662 N -2.73 1.10 0.29 -0.14 3.72 0.93 -4.94 117.46 115.71 2x4a n PHE 662 Ca -0.32 -3.77 0.18 0.00 -0.05 0.00 0.00 57.45 53.48 2x4a n PHE 662 Cb 1.14 -0.37 0.76 0.00 -0.94 0.00 0.00 39.48 40.08 2x4a n PHE 662 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2x4a h PRO 663 N 4.34 0.00 0.00 -1.08 0.11 -1.72 -2.19 132.00 131.46 2x4a h PRO 663 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2x4a h PRO 663 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2x4a h PRO 663 CO 0.59 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.94 2x4a h ASP 664 N 0.00 0.00 -3.55 -2.05 3.32 -1.93 -3.46 116.42 108.75 2x4a h ASP 664 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 2x4a h ASP 664 Cb 0.41 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.80 2x4a h ASP 664 CO 0.00 0.00 0.08 -0.22 -1.72 0.00 0.00 179.24 177.38 2x4a s LEU 665 N -5.55 4.58 0.61 1.55 2.96 -0.82 -4.21 118.68 117.81 2x4a s LEU 665 Ca 0.08 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 2x4a s LEU 665 Cb 0.08 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2x4a s LEU 665 CO 0.64 -0.77 0.92 -1.61 -1.32 0.00 0.00 176.35 174.21 2x4a s GLU 666 N 2.72 2.78 -0.22 1.98 0.41 -1.26 -4.91 118.70 120.20 2x4a s GLU 666 Ca 0.21 -0.06 -0.03 0.00 -0.41 0.00 0.00 54.97 54.68 2x4a s GLU 666 Cb -0.15 -2.25 0.07 0.00 -1.78 0.00 0.00 34.13 30.02 2x4a s GLU 666 CO 0.18 -0.80 0.05 0.08 -0.49 0.00 0.00 175.26 174.28 2x4a s VAL 667 N -3.04 0.56 0.15 2.63 1.01 -1.26 -1.24 120.40 119.21 2x4a s VAL 667 Ca 0.55 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 2x4a s VAL 667 Cb -0.11 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 2x4a s VAL 667 CO 0.45 -0.33 0.42 -0.76 0.00 0.00 0.00 175.10 174.88 2x4a s LEU 668 N 1.83 4.26 0.51 3.92 1.43 0.26 -4.93 118.68 125.96 2x4a s LEU 668 Ca 0.02 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 2x4a s LEU 668 Cb -0.17 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 2x4a s LEU 668 CO -0.13 0.04 0.83 -0.94 0.23 0.00 0.00 176.35 176.38 2x4a s SER 669 N -2.31 6.19 0.47 2.29 1.04 -1.26 -1.39 113.70 118.74 2x4a s SER 669 Ca 0.41 0.97 0.24 0.00 0.48 0.00 0.00 55.95 58.05 2x4a s SER 669 Cb -0.12 -2.22 1.17 0.00 0.10 0.00 0.00 66.02 64.95 2x4a s SER 669 CO 0.23 -0.66 1.96 -0.26 0.98 0.00 0.00 173.24 175.48 2x4a h PHE 670 N 0.11 0.00 -0.57 5.02 0.04 -1.17 -2.16 116.94 118.22 2x4a h PHE 670 Ca -0.46 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.24 2x4a h PHE 670 Cb 1.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.33 2x4a h PHE 670 CO 0.58 0.20 0.09 0.78 -0.60 0.00 0.00 178.31 179.36 2x4a h GLY 671 N 1.22 0.98 2.00 -1.45 0.00 -1.94 -1.95 103.07 101.92 2x4a h GLY 671 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2x4a h GLY 671 CO 0.03 0.57 0.00 0.83 0.00 0.00 0.00 176.54 177.97 2x4a h GLU 672 N 0.87 0.00 -0.13 4.80 5.08 -1.74 -2.93 114.58 120.53 2x4a h GLU 672 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2x4a h GLU 672 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2x4a h GLU 672 CO 0.01 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.46 2x4a n ILE 673 N -2.98 0.26 -0.32 3.13 -5.35 -1.17 -4.25 119.36 108.67 2x4a n ILE 673 Ca 0.01 -0.63 0.15 0.00 -0.27 0.00 0.00 62.75 62.02 2x4a n ILE 673 Cb 0.34 1.10 0.34 0.00 -1.74 0.00 0.00 39.64 39.68 2x4a n ILE 673 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x4a h ALA 674 N 2.85 1.60 -0.63 -1.28 0.00 -1.15 -0.52 119.26 120.13 2x4a h ALA 674 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2x4a h ALA 674 Cb 0.67 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2x4a h ALA 674 CO 0.00 -0.31 0.09 -3.47 0.00 0.00 0.00 179.25 175.56 2x4a n ASP 675 N -4.97 5.46 -4.93 0.00 -0.08 -1.26 -4.94 116.55 105.84 2x4a n ASP 675 Ca 0.24 -3.02 -0.25 0.00 -1.51 0.00 0.00 54.79 50.25 2x4a n ASP 675 Cb 0.70 -0.71 -0.01 0.00 2.34 0.00 0.00 41.12 43.44 2x4a n ASP 675 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2x4a s SER 676 N -0.84 6.31 -0.22 1.67 0.15 -0.21 -5.01 113.70 115.55 2x4a s SER 676 Ca 0.55 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.66 2x4a s SER 676 Cb 0.42 -2.11 -0.11 0.00 -1.71 0.00 0.00 66.02 62.52 2x4a s SER 676 CO 0.15 -0.36 -0.23 0.29 1.20 0.00 0.00 173.24 174.29 2x4a n LYS 677 N -1.80 0.55 -2.83 5.44 5.02 -1.26 -4.76 118.16 118.51 2x4a n LYS 677 Ca -0.03 0.34 -0.32 0.00 -2.02 0.00 0.00 58.31 56.28 2x4a n LYS 677 Cb 0.56 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 2x4a n LYS 677 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2x4a n SER 678 N -4.39 5.55 -4.72 4.39 2.88 -1.26 -4.97 113.62 111.10 2x4a n SER 678 Ca -0.33 -3.69 -0.42 0.00 -1.33 0.00 0.00 58.87 53.10 2x4a n SER 678 Cb 0.67 -0.78 -0.04 0.00 -0.75 0.00 0.00 64.21 63.31 2x4a n SER 678 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2x4a s VAL 679 N -4.43 4.71 -0.33 2.46 1.01 -1.26 -0.11 120.40 122.45 2x4a s VAL 679 Ca 0.45 2.05 0.04 0.00 0.00 0.00 0.00 61.98 64.52 2x4a s VAL 679 Cb 0.25 -4.31 0.09 0.00 0.00 0.00 0.00 36.38 32.41 2x4a s VAL 679 CO -0.14 0.24 0.03 0.21 0.00 0.00 0.00 175.10 175.44 2x4a s ASN 680 N 0.54 4.69 -0.22 3.32 2.47 0.13 -4.88 114.94 120.98 2x4a s ASN 680 Ca 0.49 -2.03 -0.29 0.00 0.42 0.00 0.00 52.86 51.45 2x4a s ASN 680 Cb -0.22 -1.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.97 2x4a s ASN 680 CO 0.29 -0.35 1.42 -0.69 -3.72 0.00 0.00 177.10 174.04 2x4a s VAL 681 N 0.95 4.00 -0.20 -5.21 1.01 -1.26 -1.35 120.40 118.34 2x4a s VAL 681 Ca 0.08 1.16 0.11 0.00 0.00 0.00 0.00 61.98 63.33 2x4a s VAL 681 Cb -0.19 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 2x4a s VAL 681 CO -0.08 -0.29 0.33 2.30 0.00 0.00 0.00 175.10 177.36 2x4a n ILE 682 N 5.96 0.00 -3.58 2.22 -5.35 0.52 -4.93 119.36 114.20 2x4a n ILE 682 Ca 0.16 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 2x4a n ILE 682 Cb 0.45 0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 38.84 2x4a n ILE 682 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2x4a s LYS 683 N -2.50 1.18 0.23 6.28 2.20 -1.25 -5.04 119.74 120.83 2x4a s LYS 683 Ca -0.01 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.02 2x4a s LYS 683 Cb 0.08 0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 2x4a s LYS 683 CO 0.46 -0.48 0.10 0.99 -0.36 0.00 0.00 175.35 176.05 2x4a s THR 684 N -3.80 4.04 -1.29 3.43 2.01 -1.26 -0.90 115.64 117.87 2x4a s THR 684 Ca 0.03 -1.52 0.10 0.00 0.31 0.00 0.00 61.69 60.62 2x4a s THR 684 Cb 0.01 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.46 2x4a s THR 684 CO -0.11 -0.29 0.83 -0.38 -0.69 0.00 0.00 174.62 173.98