#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snu n ASP 359 N 0.00 -2.97 -4.70 4.38 -0.08 -1.25 -4.14 116.55 107.79 1snu n ASP 359 Ca 0.00 1.32 -0.23 0.00 -1.51 0.00 0.00 54.79 54.37 1snu n ASP 359 Cb 0.00 -4.90 0.11 0.00 2.34 0.00 0.00 41.12 38.67 1snu n ASP 359 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1snu s PRO 360 N -0.87 1.66 -0.38 -0.67 0.04 -1.26 -4.28 135.00 129.24 1snu s PRO 360 Ca -0.19 -1.28 -0.28 0.00 0.04 0.00 0.00 61.00 59.29 1snu s PRO 360 Cb 0.01 -2.37 -0.29 0.00 0.04 0.00 0.00 34.50 31.89 1snu s PRO 360 CO 0.71 -1.45 1.75 0.43 0.04 0.00 0.00 177.00 178.49 1snu n SER 361 N -2.79 1.52 -1.61 6.66 7.64 -1.26 -4.35 113.62 119.43 1snu n SER 361 Ca 0.16 -2.55 -0.14 0.00 1.01 0.00 0.00 58.87 57.35 1snu n SER 361 Cb 0.61 -0.86 0.08 0.00 -1.01 0.00 0.00 64.21 63.02 1snu n SER 361 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1snu n GLU 362 N 7.79 2.91 -4.33 1.43 1.02 -1.26 -5.01 120.64 123.19 1snu n GLU 362 Ca 0.47 -3.86 -0.28 0.00 -0.02 0.00 0.00 57.16 53.46 1snu n GLU 362 Cb 0.42 -2.03 -0.11 0.00 -0.02 0.00 0.00 31.44 29.70 1snu n GLU 362 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1snu s LEU 363 N -3.45 2.69 -0.20 -4.62 1.43 -1.26 -0.58 118.68 112.70 1snu s LEU 363 Ca 0.46 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1snu s LEU 363 Cb 0.40 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1snu s LEU 363 CO 0.00 0.15 -0.11 -0.89 0.23 0.00 0.00 176.35 175.73 1snu s THR 364 N -1.36 1.67 -0.51 5.49 2.01 -0.58 -4.91 115.64 117.45 1snu s THR 364 Ca 0.20 -1.01 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 1snu s THR 364 Cb -0.10 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.71 1snu s THR 364 CO 0.11 0.19 0.97 -0.36 -0.69 0.00 0.00 174.62 174.84 1snu s PHE 365 N 1.38 2.83 -0.19 4.92 0.40 -1.26 -1.86 117.98 124.20 1snu s PHE 365 Ca -0.01 0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 56.40 1snu s PHE 365 Cb -0.16 -4.09 -0.09 0.00 0.51 0.00 0.00 43.02 39.19 1snu s PHE 365 CO -0.08 -1.26 -0.18 0.28 0.70 0.00 0.00 175.22 174.67 1snu n VAL 366 N 6.37 1.49 -3.80 -0.44 0.31 0.32 -4.98 118.33 117.60 1snu n VAL 366 Ca 0.05 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 1snu n VAL 366 Cb 0.48 -2.21 -0.13 0.00 -0.91 0.00 0.00 33.84 31.08 1snu n VAL 366 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1snu s GLN 367 N -2.51 0.19 -0.17 5.55 0.74 -0.84 -4.89 119.66 117.72 1snu s GLN 367 Ca -0.27 0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.13 1snu s GLN 367 Cb 0.06 0.06 -0.02 0.00 1.10 0.00 0.00 33.01 34.21 1snu s GLN 367 CO 0.41 -0.05 1.35 -2.00 -0.55 0.00 0.00 175.29 174.46 1snu s GLU 368 N 0.27 4.14 -0.00 1.67 2.12 -1.26 0.14 118.70 125.78 1snu s GLU 368 Ca -0.01 1.68 0.10 0.00 0.36 0.00 0.00 54.97 57.09 1snu s GLU 368 Cb -0.03 -3.84 -0.12 0.00 0.26 0.00 0.00 34.13 30.41 1snu s GLU 368 CO -0.01 -0.84 0.43 -0.89 -0.54 0.00 0.00 175.26 173.41 1snu n ILE 369 N 5.60 0.00 -3.54 -3.70 5.41 -0.02 -4.92 119.36 118.19 1snu n ILE 369 Ca 0.15 -0.26 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 1snu n ILE 369 Cb 0.45 0.96 -0.03 0.00 -0.71 0.00 0.00 39.64 40.31 1snu n ILE 369 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1snu s GLY 370 N -2.04 -0.39 0.03 7.39 0.00 -1.14 -4.96 107.32 106.20 1snu s GLY 370 Ca 0.03 1.40 0.01 0.00 0.00 0.00 0.00 44.72 46.16 1snu s GLY 370 CO 0.42 0.58 0.02 1.44 0.00 0.00 0.00 173.10 175.57 1snu n SER 371 N 0.09 -0.06 0.00 1.64 7.64 -1.26 -0.86 113.62 120.81 1snu n SER 371 Ca -0.08 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.63 1snu n SER 371 Cb 0.60 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1snu n SER 371 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1snu n GLY 372 N -0.05 1.91 0.44 0.23 0.00 -1.13 -4.91 105.19 101.69 1snu n GLY 372 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1snu n GLY 372 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1snu n GLN 373 N 0.00 -0.33 0.00 1.61 1.13 -1.26 -3.18 117.38 115.35 1snu n GLN 373 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1snu n GLN 373 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1snu n GLN 373 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1snu n PHE 374 N -0.14 0.00 -0.44 1.08 3.01 -1.26 -4.87 117.46 114.85 1snu n PHE 374 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1snu n PHE 374 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1snu n PHE 374 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1snu n GLY 375 N 0.00 0.45 3.71 1.37 0.00 -1.05 -4.16 105.19 105.51 1snu n GLY 375 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1snu n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snu s LEU 376 N 0.00 3.08 0.03 0.99 1.43 -0.84 -2.82 118.68 120.54 1snu s LEU 376 Ca 0.00 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.07 1snu s LEU 376 Cb 0.00 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 1snu s LEU 376 CO 0.00 -0.46 -0.11 0.68 0.23 0.00 0.00 176.35 176.70 1snu s VAL 377 N -2.58 0.83 0.24 -1.59 -7.23 -0.04 -0.78 120.40 109.25 1snu s VAL 377 Ca 0.39 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 59.77 1snu s VAL 377 Cb 0.03 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 1snu s VAL 377 CO 0.21 -0.03 0.04 -1.00 -0.31 0.00 0.00 175.10 174.02 1snu s HIS 378 N -0.76 1.52 -0.20 2.82 3.76 0.48 -0.84 115.29 122.07 1snu s HIS 378 Ca -0.01 -1.05 -0.14 0.00 -0.15 0.00 0.00 55.06 53.71 1snu s HIS 378 Cb -0.07 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 1snu s HIS 378 CO 0.01 -0.19 0.31 -1.17 -0.85 0.00 0.00 174.74 172.84 1snu s LEU 379 N -3.30 4.17 0.00 0.89 0.20 0.36 -2.18 118.68 118.83 1snu s LEU 379 Ca 0.32 0.42 0.01 0.00 0.69 0.00 0.00 54.13 55.57 1snu s LEU 379 Cb 0.07 -2.37 -0.00 0.00 -0.43 0.00 0.00 46.19 43.45 1snu s LEU 379 CO 0.10 0.01 0.25 0.61 -0.29 0.00 0.00 176.35 177.04 1snu n GLY 380 N 3.83 2.84 2.79 7.98 0.00 -0.59 0.12 105.19 122.16 1snu n GLY 380 Ca -0.11 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 1snu n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1snu s TYR 381 N -3.33 0.08 -0.10 1.61 1.51 -0.78 -1.40 117.35 114.95 1snu s TYR 381 Ca 0.21 0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 56.20 1snu s TYR 381 Cb 0.00 -0.25 -0.05 0.00 -0.11 0.00 0.00 41.96 41.55 1snu s TYR 381 CO 0.15 -0.09 0.45 -0.46 -1.11 0.00 0.00 175.55 174.49 1snu s TRP 382 N 0.99 3.55 -1.32 2.71 -0.00 -0.16 -1.52 118.94 123.19 1snu s TRP 382 Ca -0.09 0.88 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 1snu s TRP 382 Cb -0.12 -2.48 0.00 0.00 -0.00 0.00 0.00 33.47 30.87 1snu s TRP 382 CO -0.03 0.27 0.00 1.28 -0.00 0.00 0.00 176.95 178.47 1snu n LEU 383 N 3.30 -1.18 -1.30 5.86 4.77 0.25 -0.26 117.00 128.44 1snu n LEU 383 Ca -0.09 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1snu n LEU 383 Cb 0.52 -2.21 -0.05 0.00 -2.33 0.00 0.00 43.42 39.35 1snu n LEU 383 CO 0.42 -0.40 -0.10 0.59 -1.33 0.00 0.00 177.39 176.57 1snu n ASN 384 N -1.31 -2.81 -0.03 -1.43 3.02 -1.25 -4.67 115.26 106.78 1snu n ASN 384 Ca -0.15 0.26 -0.05 0.00 -0.03 0.00 0.00 54.58 54.61 1snu n ASN 384 Cb 0.55 -2.72 -0.03 0.00 -0.61 0.00 0.00 39.78 36.98 1snu n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1snu n LYS 385 N -1.68 0.15 -4.44 3.52 3.00 0.64 -5.03 118.16 114.31 1snu n LYS 385 Ca -0.11 0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 57.90 1snu n LYS 385 Cb 0.35 -1.06 -0.11 0.00 0.00 0.00 0.00 35.03 34.20 1snu n LYS 385 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1snu s ASP 386 N -4.74 4.85 -0.18 3.14 1.01 -0.43 -4.92 116.67 115.40 1snu s ASP 386 Ca -0.08 -0.06 -0.29 0.00 0.71 0.00 0.00 52.55 52.83 1snu s ASP 386 Cb 0.02 -1.61 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 1snu s ASP 386 CO 0.14 0.25 1.38 -0.75 0.21 0.00 0.00 175.17 176.39 1snu s LYS 387 N -0.09 4.10 0.23 8.23 2.20 -1.26 -0.99 119.74 132.15 1snu s LYS 387 Ca 0.02 1.65 0.03 0.00 -0.36 0.00 0.00 55.97 57.32 1snu s LYS 387 Cb -0.13 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1snu s LYS 387 CO 0.02 -0.90 0.00 0.14 -0.36 0.00 0.00 175.35 174.26 1snu s VAL 388 N 4.00 0.97 -0.46 4.02 -7.23 -0.49 -2.45 120.40 118.76 1snu s VAL 388 Ca 0.60 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1snu s VAL 388 Cb -0.23 -2.33 0.12 0.00 0.56 0.00 0.00 36.38 34.50 1snu s VAL 388 CO 0.21 -0.33 0.20 0.00 -0.31 0.00 0.00 175.10 174.86 1snu s ALA 389 N -3.46 3.18 -0.08 1.32 0.00 0.14 -1.54 121.76 121.32 1snu s ALA 389 Ca 0.28 -2.96 -0.30 0.00 0.00 0.00 0.00 51.96 48.98 1snu s ALA 389 Cb 0.06 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 1snu s ALA 389 CO 0.08 -1.89 1.17 0.42 0.00 0.00 0.00 175.76 175.54 1snu s ILE 390 N 0.25 4.36 -0.40 0.00 1.01 -0.92 -2.44 121.20 123.06 1snu s ILE 390 Ca 0.14 1.67 -0.06 0.00 0.00 0.00 0.00 60.65 62.40 1snu s ILE 390 Cb -0.23 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.25 1snu s ILE 390 CO -0.03 -0.02 0.20 -0.75 0.00 0.00 0.00 174.94 174.34 1snu s LYS 391 N 2.32 2.37 0.30 2.79 2.20 0.12 -0.39 119.74 129.46 1snu s LYS 391 Ca 0.54 -1.56 -0.07 0.00 -0.36 0.00 0.00 55.97 54.52 1snu s LYS 391 Cb -0.23 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1snu s LYS 391 CO 0.20 -0.95 0.60 0.95 -0.36 0.00 0.00 175.35 175.79 1snu s THR 392 N 1.30 4.95 0.00 3.43 -4.23 0.04 -1.02 115.64 120.11 1snu s THR 392 Ca 0.04 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1snu s THR 392 Cb -0.23 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1snu s THR 392 CO -0.01 -0.32 0.00 -0.38 -0.54 0.00 0.00 174.62 173.37 1snu n ILE 393 N -0.87 0.00 0.00 2.99 2.08 -0.80 -1.99 119.36 120.77 1snu n ILE 393 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1snu n ILE 393 Cb 0.54 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 1snu n ILE 393 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1snu n ARG 394 N 0.00 0.00 0.25 0.38 3.00 -1.26 -2.54 116.66 116.49 1snu n ARG 394 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.00 1snu n ARG 394 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 32.46 32.90 1snu n ARG 394 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1snu h GLU 395 N 0.00 0.00 0.00 -0.14 5.08 -1.97 -3.38 114.58 114.17 1snu h GLU 395 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1snu h GLU 395 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1snu h GLU 395 CO 0.00 0.00 -0.98 0.41 -1.00 0.00 0.00 179.01 177.44 1snu n GLY 396 N 0.55 0.00 0.18 -3.84 0.00 -1.26 -4.81 105.19 96.01 1snu n GLY 396 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1snu n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snu n ALA 397 N -2.27 0.40 -2.82 4.61 0.00 -1.26 -4.65 120.51 114.52 1snu n ALA 397 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1snu n ALA 397 Cb 0.49 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 1snu n ALA 397 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1snu s MET 398 N -5.15 1.26 0.15 0.00 -1.94 -1.26 -5.03 119.30 107.33 1snu s MET 398 Ca -0.06 -1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 52.58 1snu s MET 398 Cb 0.17 0.40 -0.07 0.00 2.01 0.00 0.00 34.83 37.34 1snu s MET 398 CO 0.43 -0.48 0.53 -1.12 -0.01 0.00 0.00 175.02 174.37 1snu s SER 399 N -2.99 6.77 0.20 3.03 0.01 -1.26 -4.94 113.70 114.52 1snu s SER 399 Ca 0.20 1.02 -0.18 0.00 1.31 0.00 0.00 55.95 58.30 1snu s SER 399 Cb 0.02 -2.27 0.17 0.00 0.21 0.00 0.00 66.02 64.16 1snu s SER 399 CO 0.03 0.08 1.60 -0.33 0.41 0.00 0.00 173.24 175.03 1snu h GLU 400 N 3.41 -0.11 -0.16 12.44 4.39 -2.00 0.17 114.58 132.71 1snu h GLU 400 Ca -0.48 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.05 1snu h GLU 400 Cb 1.19 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1snu h GLU 400 CO 0.66 -0.07 -0.60 1.49 -1.16 0.00 0.00 179.01 179.33 1snu h GLU 401 N -0.11 0.55 -0.80 2.33 4.81 -1.97 -2.83 114.58 116.56 1snu h GLU 401 Ca 0.26 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1snu h GLU 401 Cb 0.52 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1snu h GLU 401 CO -0.66 0.98 0.53 0.22 -0.73 0.00 0.00 179.01 179.35 1snu h ASP 402 N 0.41 0.89 -0.06 1.04 3.58 -1.43 0.23 116.42 121.08 1snu h ASP 402 Ca -0.00 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 1snu h ASP 402 Cb 1.16 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.00 1snu h ASP 402 CO 0.11 0.64 -0.52 0.15 -2.88 0.00 0.00 179.24 176.74 1snu h PHE 403 N 1.05 0.64 0.00 0.28 3.57 -1.08 -3.09 116.94 118.31 1snu h PHE 403 Ca 0.30 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1snu h PHE 403 Cb -0.07 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1snu h PHE 403 CO -0.00 1.09 0.00 0.82 -2.23 0.00 0.00 178.31 177.99 1snu h ILE 404 N 0.02 0.00 0.00 1.41 2.04 -1.14 -1.47 117.51 118.37 1snu h ILE 404 Ca -0.05 -0.07 -0.27 0.00 1.00 0.00 0.00 64.86 65.48 1snu h ILE 404 Cb 1.18 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1snu h ILE 404 CO 0.10 0.00 -1.63 -0.08 0.00 0.00 0.00 178.15 176.54 1snu h GLU 405 N 0.00 0.00 0.07 2.37 4.81 -0.90 -3.22 114.58 117.72 1snu h GLU 405 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1snu h GLU 405 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1snu h GLU 405 CO 0.00 0.47 -1.04 0.93 -0.73 0.00 0.00 179.01 178.64 1snu h GLU 406 N 0.00 0.15 0.00 1.92 5.08 -1.28 -3.00 114.58 117.46 1snu h GLU 406 Ca -0.26 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1snu h GLU 406 Cb 1.93 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1snu h GLU 406 CO 0.08 1.12 -0.04 0.00 -1.00 0.00 0.00 179.01 179.17 1snu h ALA 407 N -0.12 1.32 -0.32 3.43 0.00 -1.50 0.16 119.26 122.24 1snu h ALA 407 Ca -0.24 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1snu h ALA 407 Cb 1.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1snu h ALA 407 CO 0.00 0.05 -0.08 1.49 0.00 0.00 0.00 179.25 180.71 1snu h GLU 408 N 0.00 0.61 0.03 0.00 4.81 -1.60 -2.60 114.58 115.83 1snu h GLU 408 Ca -0.00 -0.23 -0.21 0.00 -0.13 0.00 0.00 59.36 58.78 1snu h GLU 408 Cb 0.13 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1snu h GLU 408 CO 0.00 0.79 -0.98 0.28 -0.73 0.00 0.00 179.01 178.38 1snu h VAL 409 N 0.38 1.58 -0.14 0.32 2.07 -0.94 -3.13 116.25 116.39 1snu h VAL 409 Ca 0.08 -2.98 -0.02 0.00 0.82 0.00 0.00 66.70 64.60 1snu h VAL 409 Cb 0.57 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1snu h VAL 409 CO 0.03 0.86 -0.02 -0.03 0.02 0.00 0.00 177.57 178.43 1snu h MET 410 N 0.05 0.21 0.00 1.57 4.05 -0.71 -0.78 114.93 119.32 1snu h MET 410 Ca -0.05 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.24 1snu h MET 410 Cb 1.67 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.42 1snu h MET 410 CO 0.14 0.25 -0.49 0.52 0.23 0.00 0.00 176.91 177.56 1snu h MET 411 N 0.20 0.00 -0.23 0.39 2.07 -1.41 -3.12 114.93 112.83 1snu h MET 411 Ca 0.05 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.66 1snu h MET 411 Cb 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.91 1snu h MET 411 CO 0.01 0.49 0.07 -0.22 1.07 0.00 0.00 176.91 178.33 1snu h LYS 412 N 0.00 0.36 -7.18 1.72 1.63 -1.15 -3.45 116.57 108.50 1snu h LYS 412 Ca -0.00 -0.08 -0.47 0.00 -0.85 0.00 0.00 60.65 59.24 1snu h LYS 412 Cb 0.92 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 32.51 1snu h LYS 412 CO 0.06 0.45 0.37 -0.51 -3.45 0.00 0.00 179.45 176.38 1snu s LEU 413 N -9.73 3.63 -0.29 5.20 1.43 -1.09 -5.08 118.68 112.75 1snu s LEU 413 Ca -0.14 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 1snu s LEU 413 Cb 0.08 -4.51 0.16 0.00 0.03 0.00 0.00 46.19 41.94 1snu s LEU 413 CO 0.72 -0.65 1.03 -0.94 0.23 0.00 0.00 176.35 176.74 1snu s SER 414 N -2.97 -0.45 -0.16 2.29 1.04 -1.26 -4.97 113.70 107.22 1snu s SER 414 Ca 0.60 0.69 -0.29 0.00 0.48 0.00 0.00 55.95 57.43 1snu s SER 414 Cb -0.11 1.28 0.10 0.00 0.10 0.00 0.00 66.02 67.40 1snu s SER 414 CO 0.31 -0.11 0.89 -2.28 0.98 0.00 0.00 173.24 173.03 1snu s HIS 415 N 1.58 -0.51 0.57 5.02 5.04 -1.26 -5.03 115.29 120.70 1snu s HIS 415 Ca -0.07 0.98 0.29 0.00 -1.54 0.00 0.00 55.06 54.72 1snu s HIS 415 Cb -0.04 0.41 1.59 0.00 0.04 0.00 0.00 32.58 34.57 1snu s HIS 415 CO -0.15 -0.40 1.88 -1.00 -2.34 0.00 0.00 174.74 172.73 1snu h PRO 416 N 3.18 0.00 -0.45 2.88 0.13 -2.01 -0.67 132.00 135.06 1snu h PRO 416 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1snu h PRO 416 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1snu h PRO 416 CO 0.28 0.00 0.02 1.63 -0.23 0.00 0.00 178.00 179.70 1snu n LYS 417 N -2.80 3.91 -4.33 0.86 4.76 -1.26 -4.89 118.16 114.42 1snu n LYS 417 Ca -0.02 -3.03 -0.31 0.00 -2.87 0.00 0.00 58.31 52.08 1snu n LYS 417 Cb 0.34 -2.08 -0.16 0.00 -1.84 0.00 0.00 35.03 31.29 1snu n LYS 417 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1snu s LEU 418 N -2.83 1.93 0.13 -0.35 1.43 -0.26 0.08 118.68 118.81 1snu s LEU 418 Ca 0.49 -0.55 -0.34 0.00 -1.03 0.00 0.00 54.13 52.70 1snu s LEU 418 Cb 0.39 -1.31 -0.16 0.00 0.03 0.00 0.00 46.19 45.13 1snu s LEU 418 CO 0.12 0.01 1.20 0.52 0.23 0.00 0.00 176.35 178.44 1snu n VAL 419 N 4.41 0.57 -3.16 -1.59 0.31 -0.50 -4.63 118.33 113.73 1snu n VAL 419 Ca -0.19 -0.14 -0.30 0.00 -0.01 0.00 0.00 64.34 63.70 1snu n VAL 419 Cb 0.51 -0.76 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 1snu n VAL 419 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1snu s GLN 420 N -0.08 3.74 -0.06 5.55 -0.21 -1.26 -4.96 119.66 122.37 1snu s GLN 420 Ca 0.78 0.26 -0.02 0.00 0.02 0.00 0.00 55.36 56.41 1snu s GLN 420 Cb -0.91 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 1snu s GLN 420 CO 0.51 0.14 0.02 -1.17 -2.12 0.00 0.00 175.29 172.67 1snu s LEU 421 N -3.50 3.67 -0.22 2.90 2.96 -1.26 -0.51 118.68 122.72 1snu s LEU 421 Ca 0.48 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1snu s LEU 421 Cb -0.11 -1.93 -0.19 0.00 0.50 0.00 0.00 46.19 44.46 1snu s LEU 421 CO 0.28 0.35 -0.07 -1.22 -1.32 0.00 0.00 176.35 174.37 1snu n TYR 422 N 1.88 0.36 -3.94 5.38 4.02 0.53 -4.85 117.16 120.54 1snu n TYR 422 Ca -0.17 0.08 0.01 0.00 -0.01 0.00 0.00 57.90 57.81 1snu n TYR 422 Cb 0.53 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 1snu n TYR 422 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1snu n GLY 423 N 2.11 0.43 3.16 2.72 0.00 -1.11 -4.97 105.19 107.54 1snu n GLY 423 Ca -0.43 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1snu n GLY 423 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snu s VAL 424 N -2.07 0.88 -0.30 1.61 -7.23 -1.26 -0.21 120.40 111.82 1snu s VAL 424 Ca 0.09 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1snu s VAL 424 Cb -0.00 -1.26 0.08 0.00 0.56 0.00 0.00 36.38 35.75 1snu s VAL 424 CO -0.00 -0.53 -0.02 0.00 -0.31 0.00 0.00 175.10 174.23 1snu n LEU 426 N 4.38 1.74 0.00 0.00 4.77 -1.26 -1.47 117.00 125.15 1snu n LEU 426 Ca -0.05 -1.01 0.01 0.00 -0.03 0.00 0.00 56.01 54.93 1snu n LEU 426 Cb 0.42 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1snu n LEU 426 CO 0.21 0.35 0.33 -1.84 -1.33 0.00 0.00 177.39 175.11 1snu n GLU 427 N 0.49 0.07 0.00 3.23 0.28 -1.26 -4.90 120.64 118.55 1snu n GLU 427 Ca 0.05 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1snu n GLU 427 Cb 0.22 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.59 1snu n GLU 427 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1snu n GLN 428 N -1.04 0.00 0.00 3.44 6.02 -1.26 -5.12 117.38 119.42 1snu n GLN 428 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1snu n GLN 428 Cb 0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.27 1snu n GLN 428 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1snu n ALA 429 N 0.87 0.00 -1.55 -1.58 0.00 -1.26 -4.53 120.51 112.46 1snu n ALA 429 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1snu n ALA 429 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1snu n ALA 429 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1snu n PRO 430 N 0.00 1.56 -1.70 0.00 -0.02 -1.26 -4.82 135.00 128.76 1snu n PRO 430 Ca 0.00 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 1snu n PRO 430 Cb 0.00 -3.05 -0.01 0.00 -0.02 0.00 0.00 33.50 30.42 1snu n PRO 430 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1snu n ILE 431 N 7.67 1.49 -4.02 4.25 5.41 -1.26 -4.69 119.36 128.20 1snu n ILE 431 Ca 0.35 -0.37 -0.08 0.00 1.00 0.00 0.00 62.75 63.64 1snu n ILE 431 Cb 0.40 -1.61 -0.09 0.00 -0.71 0.00 0.00 39.64 37.63 1snu n ILE 431 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1snu s LEU 433 N -2.94 2.50 -0.38 0.00 1.02 -0.19 0.59 118.68 119.28 1snu s LEU 433 Ca 0.12 -0.33 -0.05 0.00 0.02 0.00 0.00 54.13 53.88 1snu s LEU 433 Cb 0.06 -1.50 0.08 0.00 0.02 0.00 0.00 46.19 44.85 1snu s LEU 433 CO -0.06 0.27 0.17 -0.69 0.02 0.00 0.00 176.35 176.06 1snu s VAL 434 N -0.32 3.64 0.18 -1.59 1.01 0.70 0.11 120.40 124.13 1snu s VAL 434 Ca 0.02 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.49 1snu s VAL 434 Cb -0.13 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1snu s VAL 434 CO 0.02 -0.43 0.26 -0.36 0.00 0.00 0.00 175.10 174.60 1snu s PHE 435 N 1.30 3.37 0.80 5.22 0.40 -1.02 0.20 117.98 128.26 1snu s PHE 435 Ca 0.02 0.04 -0.13 0.00 -0.60 0.00 0.00 56.93 56.25 1snu s PHE 435 Cb -0.22 -1.59 0.08 0.00 0.51 0.00 0.00 43.02 41.81 1snu s PHE 435 CO -0.00 0.50 1.20 -1.83 0.70 0.00 0.00 175.22 175.79 1snu s GLU 436 N -3.44 1.68 -0.20 0.44 -1.05 0.33 0.26 118.70 116.71 1snu s GLU 436 Ca 0.33 1.74 -0.14 0.00 -0.15 0.00 0.00 54.97 56.75 1snu s GLU 436 Cb -0.10 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.76 1snu s GLU 436 CO 0.27 -2.18 0.32 0.12 0.95 0.00 0.00 175.26 174.74 1snu s PHE 437 N -2.16 3.38 -0.68 4.83 5.36 -1.03 -4.15 117.98 123.53 1snu s PHE 437 Ca 0.73 0.51 -0.19 0.00 -0.96 0.00 0.00 56.93 57.03 1snu s PHE 437 Cb -0.28 -2.42 0.12 0.00 -0.34 0.00 0.00 43.02 40.09 1snu s PHE 437 CO 0.50 0.06 0.80 -1.64 -1.46 0.00 0.00 175.22 173.48 1snu s MET 438 N 1.07 3.20 0.00 10.12 -1.94 -1.26 -4.92 119.30 125.57 1snu s MET 438 Ca 0.16 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 1snu s MET 438 Cb -0.14 -4.39 0.00 0.00 2.01 0.00 0.00 34.83 32.31 1snu s MET 438 CO 0.06 -1.57 0.00 -1.91 -0.01 0.00 0.00 175.02 171.59 1snu n GLU 439 N 6.17 0.00 0.00 2.03 4.07 -1.26 -2.11 120.64 129.54 1snu n GLU 439 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1snu n GLU 439 Cb 0.44 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 1snu n GLU 439 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1snu n HIS 440 N 0.20 0.00 -4.67 4.31 8.25 -0.82 -4.96 115.22 117.53 1snu n HIS 440 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1snu n HIS 440 Cb 0.00 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1snu n HIS 440 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1snu n GLY 441 N 0.00 -0.92 3.80 -1.41 0.00 -0.89 -4.54 105.19 101.23 1snu n GLY 441 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1snu n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1snu h LEU 443 N -0.24 0.49 0.08 0.00 5.85 -0.55 -0.50 115.31 120.45 1snu h LEU 443 Ca -0.45 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1snu h LEU 443 Cb 1.22 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1snu h LEU 443 CO 0.56 0.53 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.79 1snu h SER 444 N 0.51 -0.34 0.44 1.25 0.87 -1.77 -0.30 113.55 114.21 1snu h SER 444 Ca 0.12 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1snu h SER 444 Cb 0.27 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1snu h SER 444 CO 0.00 -0.14 -0.14 0.44 -0.53 0.00 0.00 176.83 176.46 1snu h ASP 445 N -0.21 0.00 1.06 6.23 3.32 -1.88 -2.76 116.42 122.18 1snu h ASP 445 Ca -0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1snu h ASP 445 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1snu h ASP 445 CO -0.04 0.14 -0.65 0.22 -1.72 0.00 0.00 179.24 177.19 1snu h TYR 446 N 0.00 0.00 0.23 4.55 3.20 -0.86 -3.22 116.97 120.87 1snu h TYR 446 Ca -0.00 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.54 1snu h TYR 446 Cb 0.40 0.00 0.04 0.00 1.54 0.00 0.00 36.73 38.70 1snu h TYR 446 CO 0.00 0.65 -1.44 -0.07 -1.64 0.00 0.00 178.16 175.66 1snu h LEU 447 N 0.00 0.87 0.63 2.82 3.38 -0.76 -3.37 115.31 118.88 1snu h LEU 447 Ca -0.01 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.04 1snu h LEU 447 Cb 1.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1snu h LEU 447 CO 0.08 1.70 -0.38 0.03 0.09 0.00 0.00 178.44 179.96 1snu h ARG 448 N 0.18 -0.92 -7.07 1.13 -0.00 -1.59 -3.20 114.38 102.91 1snu h ARG 448 Ca -0.25 0.06 -0.49 0.00 -0.50 0.00 0.00 59.98 58.80 1snu h ARG 448 Cb 2.13 0.21 0.06 0.00 0.00 0.00 0.00 29.97 32.37 1snu h ARG 448 CO 0.27 -0.61 0.42 0.95 0.00 0.00 0.00 179.97 181.00 1snu s THR 449 N -5.26 3.33 0.00 2.04 -4.23 -1.22 -2.45 115.64 107.86 1snu s THR 449 Ca -0.15 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1snu s THR 449 Cb 0.02 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1snu s THR 449 CO 0.46 -0.16 0.00 0.00 -0.54 0.00 0.00 174.62 174.38 1snu n GLN 450 N -1.14 0.00 -0.46 3.99 3.00 -1.26 -4.74 117.38 116.77 1snu n GLN 450 Ca 0.11 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 1snu n GLN 450 Cb 0.51 -2.67 0.23 0.00 0.00 0.00 0.00 30.24 28.31 1snu n GLN 450 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1snu n ARG 451 N -2.79 -2.96 -0.30 -1.09 0.63 -1.02 -2.42 116.66 106.70 1snu n ARG 451 Ca 0.00 -0.86 -0.00 0.00 -0.92 0.00 0.00 57.85 56.07 1snu n ARG 451 Cb 0.00 -1.86 -0.00 0.00 0.45 0.00 0.00 32.46 31.04 1snu n ARG 451 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1snu n GLY 452 N 1.76 0.04 0.48 5.14 0.00 -1.26 -4.57 105.19 106.78 1snu n GLY 452 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1snu n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snu n LEU 453 N -0.23 2.90 -4.65 0.99 4.77 -1.02 -5.01 117.00 114.76 1snu n LEU 453 Ca -0.00 -2.48 -0.28 0.00 -0.03 0.00 0.00 56.01 53.22 1snu n LEU 453 Cb 0.06 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1snu n LEU 453 CO 0.01 0.66 -0.35 -0.36 -1.33 0.00 0.00 177.39 176.02 1snu s PHE 454 N -1.84 2.87 -0.11 -1.77 0.40 -1.26 -5.11 117.98 111.16 1snu s PHE 454 Ca 0.25 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1snu s PHE 454 Cb 0.18 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1snu s PHE 454 CO 0.08 0.48 -0.06 0.00 0.70 0.00 0.00 175.22 176.43 1snu s ALA 455 N -1.48 2.98 0.38 5.36 0.00 -1.26 -4.99 121.76 122.75 1snu s ALA 455 Ca 0.26 -0.86 0.22 0.00 0.00 0.00 0.00 51.96 51.58 1snu s ALA 455 Cb -0.10 -1.37 1.30 0.00 0.00 0.00 0.00 23.12 22.95 1snu s ALA 455 CO 0.17 0.42 1.62 0.00 0.00 0.00 0.00 175.76 177.97 1snu h ALA 456 N 5.88 2.29 0.00 0.00 0.00 -2.00 0.84 119.26 126.27 1snu h ALA 456 Ca -0.41 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1snu h ALA 456 Cb 1.18 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1snu h ALA 456 CO 0.57 -0.98 0.00 0.39 0.00 0.00 0.00 179.25 179.23 1snu n GLU 457 N -5.02 0.16 -0.01 0.00 1.02 -1.26 -1.17 120.64 114.36 1snu n GLU 457 Ca 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.47 1snu n GLU 457 Cb 1.25 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 31.31 1snu n GLU 457 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1snu n THR 458 N -0.85 0.14 0.01 2.62 -1.04 0.29 -4.17 114.28 111.29 1snu n THR 458 Ca 0.03 -0.04 0.09 0.00 -2.04 0.00 0.00 64.05 62.08 1snu n THR 458 Cb 0.01 -1.22 0.51 0.00 -1.82 0.00 0.00 70.33 67.81 1snu n THR 458 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1snu h LEU 459 N -0.06 0.31 -0.53 -4.42 3.38 -1.24 0.96 115.31 113.72 1snu h LEU 459 Ca -0.06 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1snu h LEU 459 Cb 1.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1snu h LEU 459 CO -0.03 0.21 -0.73 0.25 0.09 0.00 0.00 178.44 178.23 1snu h LEU 460 N 0.36 0.12 -1.10 1.67 5.85 -1.39 -2.33 115.31 118.48 1snu h LEU 460 Ca 0.18 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1snu h LEU 460 Cb 0.26 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1snu h LEU 460 CO -0.04 0.80 -0.14 1.23 -0.34 0.00 0.00 178.44 179.95 1snu h GLY 461 N 1.92 0.50 0.98 3.75 0.00 -1.02 -1.98 103.07 107.22 1snu h GLY 461 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1snu h GLY 461 CO 0.10 0.33 0.10 -0.33 0.00 0.00 0.00 176.54 176.74 1snu h MET 462 N 0.43 0.81 -0.40 4.80 2.86 -0.99 -1.69 114.93 120.76 1snu h MET 462 Ca 0.08 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1snu h MET 462 Cb 0.50 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1snu h MET 462 CO 0.03 0.80 0.15 0.00 1.06 0.00 0.00 176.91 178.95 1snu h LEU 464 N 0.50 0.66 -0.11 0.00 3.38 -1.11 0.25 115.31 118.88 1snu h LEU 464 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1snu h LEU 464 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1snu h LEU 464 CO -0.01 0.46 -0.00 0.44 0.09 0.00 0.00 178.44 179.42 1snu h ASP 465 N 0.77 0.19 -0.11 -0.43 3.32 -1.06 0.68 116.42 119.78 1snu h ASP 465 Ca 0.24 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1snu h ASP 465 Cb 0.01 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1snu h ASP 465 CO -0.06 0.46 0.04 0.58 -1.72 0.00 0.00 179.24 178.53 1snu h VAL 466 N -0.08 0.98 -0.79 -1.35 2.07 -0.97 -0.41 116.25 115.70 1snu h VAL 466 Ca 0.03 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1snu h VAL 466 Cb 0.36 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1snu h VAL 466 CO 0.01 0.02 0.52 0.00 0.02 0.00 0.00 177.57 178.13 1snu h GLU 468 N 0.84 0.99 -0.02 0.00 5.08 0.99 0.01 114.58 122.46 1snu h GLU 468 Ca 0.34 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1snu h GLU 468 Cb 0.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1snu h GLU 468 CO -0.12 0.96 -0.01 0.78 -1.00 0.00 0.00 179.01 179.62 1snu h GLY 469 N 1.00 0.05 0.99 -3.84 0.00 0.71 -2.76 103.07 99.22 1snu h GLY 469 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1snu h GLY 469 CO 0.03 0.04 0.62 -0.33 0.00 0.00 0.00 176.54 176.90 1snu h MET 470 N -0.38 1.23 -0.61 4.80 2.86 -0.11 -1.29 114.93 121.43 1snu h MET 470 Ca 0.00 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1snu h MET 470 Cb 0.46 -0.28 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1snu h MET 470 CO 0.00 0.81 0.34 0.00 1.06 0.00 0.00 176.91 179.13 1snu h ALA 471 N 1.35 0.80 -0.73 6.32 0.00 -0.98 0.76 119.26 126.78 1snu h ALA 471 Ca 0.35 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1snu h ALA 471 Cb -0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1snu h ALA 471 CO -0.08 0.03 0.20 -0.92 0.00 0.00 0.00 179.25 178.48 1snu h TYR 472 N 0.65 1.20 -0.29 0.00 3.20 -1.11 -1.15 116.97 119.46 1snu h TYR 472 Ca 0.26 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1snu h TYR 472 Cb 0.12 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1snu h TYR 472 CO -0.08 0.96 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.19 1snu h LEU 473 N 1.09 0.63 -0.46 2.82 3.38 -0.14 -2.60 115.31 120.03 1snu h LEU 473 Ca 0.23 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1snu h LEU 473 Cb 0.34 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1snu h LEU 473 CO -0.00 0.90 0.09 -0.08 0.09 0.00 0.00 178.44 179.44 1snu h GLU 474 N 0.36 0.22 -0.16 1.13 4.81 0.72 -0.25 114.58 121.41 1snu h GLU 474 Ca 0.06 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1snu h GLU 474 Cb 0.66 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1snu h GLU 474 CO 0.04 0.14 -0.06 1.49 -0.73 0.00 0.00 179.01 179.90 1snu h GLU 475 N 0.22 0.24 -0.00 1.92 4.81 -1.13 0.54 114.58 121.19 1snu h GLU 475 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1snu h GLU 475 Cb 0.30 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1snu h GLU 475 CO -0.30 0.32 -0.06 0.00 -0.73 0.00 0.00 179.01 178.24 1snu n ALA 476 N -2.49 2.58 -3.09 2.92 0.00 -0.48 -4.89 120.51 115.05 1snu n ALA 476 Ca -0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1snu n ALA 476 Cb 0.21 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.31 1snu n ALA 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snu s VAL 478 N -3.28 2.59 -0.25 0.00 1.01 -0.26 -5.02 120.40 115.19 1snu s VAL 478 Ca 0.02 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.34 1snu s VAL 478 Cb -0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1snu s VAL 478 CO 0.57 -0.03 0.63 -0.63 0.00 0.00 0.00 175.10 175.64 1snu s ILE 479 N 1.19 4.98 -0.78 2.22 1.09 -1.26 -4.19 121.20 124.45 1snu s ILE 479 Ca -0.06 1.15 -0.23 0.00 -1.10 0.00 0.00 60.65 60.41 1snu s ILE 479 Cb -0.19 -3.94 0.07 0.00 -1.06 0.00 0.00 42.46 37.34 1snu s ILE 479 CO -0.03 0.04 1.14 -2.28 -0.10 0.00 0.00 174.94 173.70 1snu s HIS 480 N 2.44 2.64 -0.87 3.97 2.46 -1.26 -4.88 115.29 119.79 1snu s HIS 480 Ca 0.27 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 55.17 1snu s HIS 480 Cb -0.16 -4.43 0.00 0.00 -0.13 0.00 0.00 32.58 27.86 1snu s HIS 480 CO 0.09 -1.76 0.26 0.54 -2.47 0.00 0.00 174.74 171.39 1snu n ARG 481 N 8.06 0.46 -2.67 2.88 1.74 -1.26 -3.85 116.66 122.01 1snu n ARG 481 Ca 0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1snu n ARG 481 Cb 0.48 -1.23 0.09 0.00 -1.02 0.00 0.00 32.46 30.77 1snu n ARG 481 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1snu n ASP 482 N 0.34 -1.35 -4.68 0.55 2.03 -1.26 -5.07 116.55 107.10 1snu n ASP 482 Ca 0.00 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 52.85 1snu n ASP 482 Cb 0.13 1.20 -0.03 0.00 -0.72 0.00 0.00 41.12 41.70 1snu n ASP 482 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1snu s LEU 483 N -1.59 4.22 0.04 -2.67 2.96 -1.25 -4.85 118.68 115.54 1snu s LEU 483 Ca 0.17 1.33 -0.27 0.00 -0.22 0.00 0.00 54.13 55.14 1snu s LEU 483 Cb 0.25 -3.36 0.07 0.00 0.50 0.00 0.00 46.19 43.65 1snu s LEU 483 CO -0.14 -0.40 0.65 0.00 -1.32 0.00 0.00 176.35 175.14 1snu s ALA 484 N 1.97 -1.70 0.32 5.97 0.00 -1.26 -4.62 121.76 122.45 1snu s ALA 484 Ca 0.43 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.44 1snu s ALA 484 Cb -0.17 0.39 0.96 0.00 0.00 0.00 0.00 23.12 24.29 1snu s ALA 484 CO 0.15 -0.55 1.63 0.00 0.00 0.00 0.00 175.76 177.00 1snu h ALA 485 N 2.56 1.65 -0.25 0.00 0.00 -1.93 0.51 119.26 121.80 1snu h ALA 485 Ca -0.30 0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1snu h ALA 485 Cb 1.21 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1snu h ALA 485 CO 0.38 -0.61 0.45 -0.09 0.00 0.00 0.00 179.25 179.39 1snu h ARG 486 N 0.18 0.00 -0.37 0.00 2.43 -1.94 -0.71 114.38 113.97 1snu h ARG 486 Ca 0.67 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 1snu h ARG 486 Cb 1.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1snu h ARG 486 CO -0.70 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 177.85 1snu n ASN 487 N -3.30 3.41 -4.61 -3.80 3.02 0.18 -4.80 115.26 105.37 1snu n ASN 487 Ca 0.04 -2.31 -0.31 0.00 -0.03 0.00 0.00 54.58 51.97 1snu n ASN 487 Cb 0.57 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.28 1snu n ASN 487 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1snu s LEU 489 N -1.77 2.35 -0.14 0.00 1.43 0.15 -0.16 118.68 120.53 1snu s LEU 489 Ca 0.20 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 1snu s LEU 489 Cb -0.11 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1snu s LEU 489 CO 0.11 0.32 0.25 -0.69 0.23 0.00 0.00 176.35 176.56 1snu s VAL 490 N -0.57 5.33 0.00 -1.59 1.01 0.13 -0.83 120.40 123.87 1snu s VAL 490 Ca 0.08 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1snu s VAL 490 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1snu s VAL 490 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1snu n GLY 491 N 2.97 4.52 2.84 4.51 0.00 0.31 -1.95 105.19 118.40 1snu n GLY 491 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1snu n GLY 491 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1snu n GLU 492 N 0.00 0.00 -2.63 1.61 4.71 -1.26 -2.83 120.64 120.24 1snu n GLU 492 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1snu n GLU 492 Cb 0.00 -0.95 0.01 0.00 -1.01 0.00 0.00 31.44 29.49 1snu n GLU 492 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1snu n ASN 493 N 3.70 -6.76 0.00 1.62 0.23 -1.26 -4.11 115.26 108.68 1snu n ASN 493 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1snu n ASN 493 Cb 0.33 -4.52 0.00 0.00 -2.08 0.00 0.00 39.78 33.51 1snu n ASN 493 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1snu n GLN 494 N -0.69 -1.30 -2.70 -3.83 1.13 -1.13 -4.96 117.38 103.89 1snu n GLN 494 Ca 0.07 0.33 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 1snu n GLN 494 Cb 0.41 -4.53 -0.03 0.00 0.11 0.00 0.00 30.24 26.19 1snu n GLN 494 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1snu s VAL 495 N -1.26 4.82 -0.03 5.09 1.01 -1.26 -4.82 120.40 123.95 1snu s VAL 495 Ca 0.00 2.03 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 1snu s VAL 495 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1snu s VAL 495 CO 0.00 0.06 0.18 -0.63 0.00 0.00 0.00 175.10 174.70 1snu s ILE 496 N 1.70 5.45 0.02 2.22 -1.09 -1.26 -0.53 121.20 127.70 1snu s ILE 496 Ca 0.49 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.87 1snu s ILE 496 Cb -0.19 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1snu s ILE 496 CO 0.21 0.39 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.69 1snu s LYS 497 N -1.74 0.58 0.07 2.79 1.02 -0.01 -4.62 119.74 117.82 1snu s LYS 497 Ca 0.25 -0.50 -0.23 0.00 0.02 0.00 0.00 55.97 55.51 1snu s LYS 497 Cb -0.13 -0.49 -0.06 0.00 -0.52 0.00 0.00 37.83 36.63 1snu s LYS 497 CO 0.15 0.12 0.68 0.08 -0.92 0.00 0.00 175.35 175.46 1snu s VAL 498 N -0.70 4.69 0.00 3.17 1.01 0.11 -0.68 120.40 128.01 1snu s VAL 498 Ca -0.02 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1snu s VAL 498 Cb -0.06 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1snu s VAL 498 CO 0.00 0.46 0.00 -1.54 0.00 0.00 0.00 175.10 174.02 1snu n SER 499 N 2.26 0.48 -3.06 3.32 3.41 -0.85 -1.42 113.62 117.76 1snu n SER 499 Ca -0.06 -0.14 -0.17 0.00 -0.26 0.00 0.00 58.87 58.24 1snu n SER 499 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1snu n SER 499 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1snu n ASP 500 N -0.35 -3.07 -4.12 4.04 8.00 -1.26 -4.84 116.55 114.94 1snu n ASP 500 Ca 0.00 -0.14 -0.37 0.00 0.71 0.00 0.00 54.79 54.99 1snu n ASP 500 Cb 0.00 -2.61 -0.11 0.00 -0.02 0.00 0.00 41.12 38.39 1snu n ASP 500 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1snu s PHE 501 N -2.69 3.52 0.00 1.24 -0.12 -1.26 -4.92 117.98 113.75 1snu s PHE 501 Ca 0.26 -2.44 0.00 0.00 -0.05 0.00 0.00 56.93 54.70 1snu s PHE 501 Cb -0.14 -3.26 0.00 0.00 -0.63 0.00 0.00 43.02 38.99 1snu s PHE 501 CO 0.32 -0.94 0.00 -0.35 -0.05 0.00 0.00 175.22 174.20 1snu n PRO 521 N 4.30 0.00 -0.13 1.99 -0.04 -1.26 -4.98 135.00 134.88 1snu n PRO 521 Ca 0.00 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.74 1snu n PRO 521 Cb 0.40 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.57 1snu n PRO 521 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1snu h VAL 522 N 0.00 0.37 -0.05 0.52 2.07 -1.97 -0.85 116.25 116.34 1snu h VAL 522 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1snu h VAL 522 Cb 0.00 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1snu h VAL 522 CO 0.00 0.00 -0.41 0.11 0.02 0.00 0.00 177.57 177.29 1snu h LYS 523 N 0.00 0.12 -0.28 1.57 1.57 -1.97 -3.01 116.57 114.57 1snu h LYS 523 Ca 0.39 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1snu h LYS 523 Cb 1.80 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.10 1snu h LYS 523 CO -0.00 0.51 0.00 0.91 -0.57 0.00 0.00 179.45 180.29 1snu n TRP 524 N -4.04 0.35 -3.40 -1.35 8.01 -0.34 -4.96 117.44 111.71 1snu n TRP 524 Ca -0.02 -0.20 -0.36 0.00 -1.31 0.00 0.00 57.50 55.61 1snu n TRP 524 Cb 0.46 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.70 1snu n TRP 524 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1snu s ALA 525 N -1.47 3.63 0.70 6.99 0.00 -1.09 -3.73 121.76 126.78 1snu s ALA 525 Ca 0.33 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 1snu s ALA 525 Cb 0.20 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1snu s ALA 525 CO 0.28 0.46 1.07 -1.54 0.00 0.00 0.00 175.76 176.04 1snu s SER 526 N -1.47 5.49 0.26 0.00 1.04 -1.26 -4.81 113.70 112.94 1snu s SER 526 Ca 0.32 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 58.04 1snu s SER 526 Cb -0.16 -2.19 0.45 0.00 0.10 0.00 0.00 66.02 64.22 1snu s SER 526 CO 0.18 -1.33 1.81 -0.65 0.98 0.00 0.00 173.24 174.23 1snu h PRO 527 N -0.65 0.80 -0.01 4.02 0.11 -1.93 -0.97 132.00 133.37 1snu h PRO 527 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1snu h PRO 527 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1snu h PRO 527 CO 0.61 0.53 0.01 1.05 -0.21 0.00 0.00 178.00 180.00 1snu h GLU 528 N 0.83 0.00 0.00 1.05 4.11 -1.89 -2.20 114.58 116.48 1snu h GLU 528 Ca 0.43 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.80 1snu h GLU 528 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1snu h GLU 528 CO -0.26 0.00 -0.32 0.28 0.07 0.00 0.00 179.01 178.78 1snu h VAL 529 N 0.00 1.40 -0.17 -1.06 2.07 -1.40 -1.66 116.25 115.43 1snu h VAL 529 Ca 0.00 -2.17 0.02 0.00 0.82 0.00 0.00 66.70 65.37 1snu h VAL 529 Cb 0.03 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1snu h VAL 529 CO -0.00 0.48 -0.10 0.49 0.02 0.00 0.00 177.57 178.46 1snu n PHE 530 N -4.58 -0.07 0.02 1.57 0.99 -0.80 -0.26 117.46 114.33 1snu n PHE 530 Ca -0.15 0.21 -0.11 0.00 -0.00 0.00 0.00 57.45 57.40 1snu n PHE 530 Cb 0.49 -0.42 -0.14 0.00 -1.00 0.00 0.00 39.48 38.41 1snu n PHE 530 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1snu h SER 531 N 0.00 0.12 0.00 4.37 4.64 -1.69 -3.41 113.55 117.58 1snu h SER 531 Ca 0.03 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1snu h SER 531 Cb 0.07 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1snu h SER 531 CO -0.16 1.17 -0.26 0.49 -0.87 0.00 0.00 176.83 177.21 1snu n PHE 532 N -3.25 0.00 -3.39 4.77 3.01 -0.70 -5.00 117.46 112.90 1snu n PHE 532 Ca -0.14 -0.84 -0.14 0.00 1.01 0.00 0.00 57.45 57.34 1snu n PHE 532 Cb 1.02 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 40.32 1snu n PHE 532 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1snu n SER 533 N -0.96 -0.22 -4.25 4.37 7.64 0.64 -4.80 113.62 116.04 1snu n SER 533 Ca 0.13 -0.48 -0.43 0.00 1.01 0.00 0.00 58.87 59.09 1snu n SER 533 Cb 0.69 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 1snu n SER 533 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1snu s ARG 534 N -5.04 3.38 0.31 1.43 3.52 -0.73 -4.93 118.95 116.89 1snu s ARG 534 Ca 0.06 -2.67 -0.24 0.00 -0.13 0.00 0.00 55.73 52.75 1snu s ARG 534 Cb -0.03 -4.22 -0.10 0.00 -1.56 0.00 0.00 34.95 29.05 1snu s ARG 534 CO 0.37 -1.25 0.89 0.71 -0.81 0.00 0.00 175.30 175.22 1snu s TYR 535 N -0.24 3.65 0.20 5.12 1.51 -1.26 -4.35 117.35 121.97 1snu s TYR 535 Ca 0.20 1.68 -0.23 0.00 -1.01 0.00 0.00 57.07 57.71 1snu s TYR 535 Cb -0.12 -2.85 0.05 0.00 -0.11 0.00 0.00 41.96 38.93 1snu s TYR 535 CO -0.08 0.21 0.78 -1.54 -1.11 0.00 0.00 175.55 173.81 1snu s SER 536 N -1.68 -0.30 0.52 2.29 1.04 -1.26 -4.98 113.70 109.32 1snu s SER 536 Ca 0.50 -0.39 0.16 0.00 0.48 0.00 0.00 55.95 56.70 1snu s SER 536 Cb -0.17 0.61 1.26 0.00 0.10 0.00 0.00 66.02 67.82 1snu s SER 536 CO 0.22 -1.10 2.14 -1.28 0.98 0.00 0.00 173.24 174.20 1snu h SER 537 N 2.00 0.01 0.15 7.02 0.87 -1.96 -0.49 113.55 121.16 1snu h SER 537 Ca -0.23 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1snu h SER 537 Cb 1.25 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1snu h SER 537 CO 0.27 0.01 -0.09 0.11 -0.53 0.00 0.00 176.83 176.60 1snu h LYS 538 N 0.02 0.00 -0.54 2.24 1.79 -1.93 -0.87 116.57 117.27 1snu h LYS 538 Ca 0.02 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1snu h LYS 538 Cb 0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1snu h LYS 538 CO -0.00 0.09 0.11 0.77 -1.08 0.00 0.00 179.45 179.34 1snu h SER 539 N 0.00 0.84 -0.74 0.86 0.02 -1.41 -1.68 113.55 111.45 1snu h SER 539 Ca -0.00 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1snu h SER 539 Cb 0.19 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1snu h SER 539 CO 0.01 0.87 0.38 0.44 -1.14 0.00 0.00 176.83 177.40 1snu h ASP 540 N 0.77 0.95 -0.70 3.07 5.19 -1.20 0.12 116.42 124.63 1snu h ASP 540 Ca 0.17 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1snu h ASP 540 Cb 0.38 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1snu h ASP 540 CO 0.01 0.79 0.24 0.58 -3.12 0.00 0.00 179.24 177.74 1snu h VAL 541 N 1.06 1.25 0.22 -1.35 2.07 -0.79 0.84 116.25 119.55 1snu h VAL 541 Ca 0.26 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1snu h VAL 541 Cb 0.07 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1snu h VAL 541 CO -0.04 0.33 -0.10 -0.25 0.02 0.00 0.00 177.57 177.53 1snu h TRP 542 N 1.02 -0.27 -0.83 1.57 2.91 -0.49 -0.12 115.95 119.74 1snu h TRP 542 Ca 0.23 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.39 1snu h TRP 542 Cb 0.27 0.09 -0.09 0.00 -0.51 0.00 0.00 29.16 28.91 1snu h TRP 542 CO 0.02 -0.14 0.40 0.77 -1.03 0.00 0.00 178.44 178.47 1snu h SER 543 N -0.33 0.47 -0.26 2.65 0.02 -0.25 0.28 113.55 116.12 1snu h SER 543 Ca -0.03 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1snu h SER 543 Cb 0.25 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1snu h SER 543 CO 0.05 0.19 0.18 0.15 -1.14 0.00 0.00 176.83 176.25 1snu h PHE 544 N 0.58 0.29 -0.47 3.45 3.57 0.15 0.14 116.94 124.64 1snu h PHE 544 Ca 0.45 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 1snu h PHE 544 Cb 0.66 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1snu h PHE 544 CO -0.11 0.18 0.18 0.78 -2.23 0.00 0.00 178.31 177.11 1snu h GLY 545 N 0.30 0.77 0.94 2.40 0.00 0.14 0.23 103.07 107.85 1snu h GLY 545 Ca 0.10 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1snu h GLY 545 CO -0.02 0.40 -0.17 -2.08 0.00 0.00 0.00 176.54 174.66 1snu h VAL 546 N 0.62 1.29 -0.30 4.60 2.07 -0.67 -2.52 116.25 121.35 1snu h VAL 546 Ca 0.16 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1snu h VAL 546 Cb 0.21 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1snu h VAL 546 CO -0.01 0.42 0.12 0.25 0.02 0.00 0.00 177.57 178.36 1snu h LEU 547 N 0.43 0.37 -0.71 2.57 6.46 -0.52 -1.07 115.31 122.85 1snu h LEU 547 Ca 0.07 -0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.66 1snu h LEU 547 Cb 0.71 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1snu h LEU 547 CO 0.05 0.34 -0.45 0.24 -0.62 0.00 0.00 178.44 178.00 1snu h MET 548 N 0.41 0.46 -0.06 1.25 2.86 -0.38 -1.52 114.93 117.96 1snu h MET 548 Ca 0.10 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1snu h MET 548 Cb 0.09 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1snu h MET 548 CO -0.01 0.82 -0.02 2.35 1.06 0.00 0.00 176.91 181.11 1snu h TRP 549 N 0.37 0.13 0.00 -0.22 7.01 -0.85 -1.20 115.95 121.19 1snu h TRP 549 Ca 0.03 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1snu h TRP 549 Cb 0.93 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.96 1snu h TRP 549 CO 0.03 0.47 -0.01 0.93 -2.79 0.00 0.00 178.44 177.07 1snu h GLU 550 N -0.25 0.00 0.06 2.65 5.08 -1.16 0.30 114.58 121.25 1snu h GLU 550 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1snu h GLU 550 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1snu h GLU 550 CO 0.01 0.01 -0.03 0.28 -1.00 0.00 0.00 179.01 178.28 1snu h VAL 551 N 0.00 1.27 0.00 3.13 2.07 -1.00 0.46 116.25 122.18 1snu h VAL 551 Ca -0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1snu h VAL 551 Cb 0.02 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1snu h VAL 551 CO 0.00 0.33 0.00 -0.26 0.02 0.00 0.00 177.57 177.66 1snu h PHE 552 N -0.72 0.00 -0.05 1.57 -1.00 -0.78 -2.05 116.94 113.91 1snu h PHE 552 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1snu h PHE 552 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 1snu h PHE 552 CO 0.13 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 175.70 1snu n SER 553 N -2.92 0.99 -3.07 2.17 3.41 0.10 -4.32 113.62 109.98 1snu n SER 553 Ca 0.02 -1.45 -0.17 0.00 -0.26 0.00 0.00 58.87 57.01 1snu n SER 553 Cb 0.35 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.34 1snu n SER 553 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1snu n GLU 554 N -0.18 -6.18 -2.17 4.33 1.02 -0.77 -3.87 120.64 112.82 1snu n GLU 554 Ca 0.18 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1snu n GLU 554 Cb 0.25 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1snu n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1snu n GLY 555 N -1.46 0.69 3.97 0.62 0.00 0.16 -3.55 105.19 105.61 1snu n GLY 555 Ca -0.11 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1snu n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snu s LYS 556 N -4.32 3.27 -0.23 1.61 1.02 -1.25 -4.62 119.74 115.23 1snu s LYS 556 Ca 0.00 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.10 1snu s LYS 556 Cb 0.00 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1snu s LYS 556 CO 0.00 0.11 0.56 0.42 -0.92 0.00 0.00 175.35 175.52 1snu s ILE 557 N -2.23 5.06 0.24 2.17 1.01 -1.26 -4.74 121.20 121.45 1snu s ILE 557 Ca 0.42 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 1snu s ILE 557 Cb -0.09 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 1snu s ILE 557 CO 0.33 0.11 1.11 -2.16 0.00 0.00 0.00 174.94 174.33 1snu s PRO 558 N 2.02 4.62 -1.33 2.79 0.04 -1.26 -3.43 135.00 138.44 1snu s PRO 558 Ca 0.24 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1snu s PRO 558 Cb -0.16 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1snu s PRO 558 CO 0.09 0.15 0.70 0.66 0.04 0.00 0.00 177.00 178.65 1snu n TYR 559 N 1.64 -1.92 0.07 0.56 4.02 -1.26 -4.93 117.16 115.34 1snu n TYR 559 Ca 0.00 0.84 -0.03 0.00 -0.01 0.00 0.00 57.90 58.70 1snu n TYR 559 Cb 0.45 -4.33 -0.02 0.00 -0.02 0.00 0.00 39.34 35.43 1snu n TYR 559 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1snu h GLU 560 N -1.88 -0.19 -2.26 -0.72 4.81 -2.00 -3.02 114.58 109.32 1snu h GLU 560 Ca -0.61 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.58 1snu h GLU 560 Cb 1.36 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 1snu h GLU 560 CO 0.58 -0.13 0.02 0.09 -0.73 0.00 0.00 179.01 178.84 1snu n ASN 561 N -2.60 2.79 -3.92 1.04 3.02 -1.26 -4.78 115.26 109.55 1snu n ASN 561 Ca -0.02 -1.90 -0.10 0.00 -0.03 0.00 0.00 54.58 52.53 1snu n ASN 561 Cb 0.08 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.46 1snu n ASN 561 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1snu s ARG 562 N 1.50 0.37 0.54 3.52 0.52 -1.14 -5.11 118.95 119.15 1snu s ARG 562 Ca 0.20 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 1snu s ARG 562 Cb 0.09 0.15 0.04 0.00 0.52 0.00 0.00 34.95 35.75 1snu s ARG 562 CO 0.00 -0.08 0.76 0.45 0.02 0.00 0.00 175.30 176.45 1snu s SER 563 N -1.28 5.27 0.15 0.23 0.15 -1.26 -4.91 113.70 112.05 1snu s SER 563 Ca -0.14 -0.09 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 1snu s SER 563 Cb -0.08 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.43 1snu s SER 563 CO 0.00 -1.14 1.41 0.78 1.20 0.00 0.00 173.24 175.50 1snu h ASN 564 N 0.11 0.74 -0.01 5.45 2.35 -1.99 0.11 115.58 122.35 1snu h ASN 564 Ca -0.41 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1snu h ASN 564 Cb 1.29 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1snu h ASN 564 CO 0.51 1.21 0.00 -1.54 -1.65 0.00 0.00 177.43 175.95 1snu n SER 565 N -3.93 0.14 -0.12 5.81 3.41 -1.26 -1.40 113.62 116.27 1snu n SER 565 Ca -0.05 -1.25 -0.22 0.00 -0.26 0.00 0.00 58.87 57.09 1snu n SER 565 Cb 0.68 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 1snu n SER 565 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1snu n GLU 566 N -0.79 0.52 -0.15 4.33 2.13 -0.93 -3.84 120.64 121.92 1snu n GLU 566 Ca 0.19 0.19 -0.09 0.00 0.66 0.00 0.00 57.16 58.10 1snu n GLU 566 Cb 0.11 -1.38 -0.00 0.00 0.27 0.00 0.00 31.44 30.44 1snu n GLU 566 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1snu h VAL 567 N -0.54 1.21 -0.62 6.31 2.07 -0.73 0.15 116.25 124.09 1snu h VAL 567 Ca -0.56 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.38 1snu h VAL 567 Cb 1.61 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1snu h VAL 567 CO -0.26 0.24 0.41 0.58 0.02 0.00 0.00 177.57 178.56 1snu h VAL 568 N 0.55 0.94 0.29 2.57 2.07 -1.46 -1.13 116.25 120.08 1snu h VAL 568 Ca 0.14 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1snu h VAL 568 Cb 0.22 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1snu h VAL 568 CO -0.01 0.09 -0.14 -0.08 0.02 0.00 0.00 177.57 177.46 1snu h GLU 569 N 0.51 -0.37 -0.56 1.57 4.81 -1.37 -3.00 114.58 116.15 1snu h GLU 569 Ca 0.28 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.63 1snu h GLU 569 Cb 0.43 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 1snu h GLU 569 CO -0.08 -0.10 0.14 -0.44 -0.73 0.00 0.00 179.01 177.80 1snu h ASP 570 N -1.02 0.06 -0.10 1.04 3.32 -0.50 -2.05 116.42 117.17 1snu h ASP 570 Ca -0.04 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1snu h ASP 570 Cb 0.44 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1snu h ASP 570 CO 0.06 0.05 -0.23 0.40 -1.72 0.00 0.00 179.24 177.80 1snu h ILE 571 N 0.29 1.26 -0.10 0.35 2.04 -1.35 0.02 117.51 120.03 1snu h ILE 571 Ca 0.29 -1.26 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1snu h ILE 571 Cb 0.40 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1snu h ILE 571 CO -0.35 0.40 -0.31 0.28 0.00 0.00 0.00 178.15 178.17 1snu h SER 572 N 0.47 0.19 1.14 1.72 0.02 -1.24 -1.99 113.55 113.86 1snu h SER 572 Ca 0.07 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1snu h SER 572 Cb 0.66 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1snu h SER 572 CO 0.05 0.50 0.00 0.35 -1.14 0.00 0.00 176.83 176.59 1snu n THR 573 N -4.12 0.33 0.00 -2.27 -2.24 -0.92 -4.88 114.28 100.17 1snu n THR 573 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1snu n THR 573 Cb 0.39 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1snu n THR 573 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1snu n GLY 574 N 1.27 1.08 3.76 3.38 0.00 -0.75 -5.11 105.19 108.82 1snu n GLY 574 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1snu n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1snu s PHE 575 N -2.00 2.36 0.01 1.61 5.36 -0.02 -4.96 117.98 120.34 1snu s PHE 575 Ca 0.00 1.28 -0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1snu s PHE 575 Cb 0.00 -3.91 -0.01 0.00 -0.34 0.00 0.00 43.02 38.76 1snu s PHE 575 CO 0.00 -3.02 0.02 1.03 -1.46 0.00 0.00 175.22 171.79 1snu s ARG 576 N -2.61 0.29 0.29 10.12 3.00 -1.26 -4.32 118.95 124.45 1snu s ARG 576 Ca 0.65 -0.41 -0.30 0.00 0.00 0.00 0.00 55.73 55.66 1snu s ARG 576 Cb -0.43 0.11 -0.12 0.00 0.00 0.00 0.00 34.95 34.51 1snu s ARG 576 CO 0.54 -0.05 1.60 1.28 0.00 0.00 0.00 175.30 178.67 1snu n LEU 577 N 1.90 4.35 -4.67 2.53 4.77 -1.26 -4.95 117.00 119.67 1snu n LEU 577 Ca -0.21 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.58 1snu n LEU 577 Cb 0.56 -1.59 0.13 0.00 -2.33 0.00 0.00 43.42 40.19 1snu n LEU 577 CO 0.21 0.15 0.71 0.00 -1.33 0.00 0.00 177.39 177.13 1snu n TYR 578 N 2.19 1.09 -2.59 -1.77 0.18 -1.26 -4.95 117.16 110.04 1snu n TYR 578 Ca 0.09 0.40 -0.42 0.00 1.88 0.00 0.00 57.90 59.85 1snu n TYR 578 Cb 0.37 -2.08 -0.03 0.00 -0.38 0.00 0.00 39.34 37.21 1snu n TYR 578 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1snu s LYS 579 N -4.07 4.53 0.49 -3.48 2.20 -1.26 -5.02 119.74 113.12 1snu s LYS 579 Ca 0.72 1.57 -0.17 0.00 -0.36 0.00 0.00 55.97 57.73 1snu s LYS 579 Cb -0.29 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1snu s LYS 579 CO 0.52 -0.10 0.96 -1.25 -0.36 0.00 0.00 175.35 175.12 1snu s PRO 580 N 0.86 4.00 0.29 4.03 0.04 -1.26 -4.95 135.00 138.01 1snu s PRO 580 Ca 0.54 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.57 1snu s PRO 580 Cb -0.25 -2.17 0.72 0.00 0.04 0.00 0.00 34.50 32.85 1snu s PRO 580 CO 0.29 -0.20 1.70 0.07 0.04 0.00 0.00 177.00 178.90 1snu h ARG 581 N 1.18 0.40 0.00 4.56 0.11 -1.95 0.61 114.38 119.29 1snu h ARG 581 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1snu h ARG 581 Cb 1.18 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1snu h ARG 581 CO 0.62 0.26 0.00 1.28 0.10 0.00 0.00 179.97 182.23 1snu n LEU 582 N -5.03 0.00 -4.60 0.08 4.77 -1.26 -4.70 117.00 106.26 1snu n LEU 582 Ca 0.22 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.85 1snu n LEU 582 Cb 0.65 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 1snu n LEU 582 CO 0.13 0.00 -0.25 0.00 -1.33 0.00 0.00 177.39 175.95 1snu s ALA 583 N -2.00 3.38 1.01 -1.18 0.00 0.20 -4.78 121.76 118.39 1snu s ALA 583 Ca 0.27 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1snu s ALA 583 Cb 0.12 -2.01 0.19 0.00 0.00 0.00 0.00 23.12 21.43 1snu s ALA 583 CO 0.21 -0.02 1.14 -1.54 0.00 0.00 0.00 175.76 175.55 1snu s SER 584 N 0.74 2.63 0.30 0.00 1.04 -1.26 -4.80 113.70 112.34 1snu s SER 584 Ca 0.04 0.85 0.07 0.00 0.48 0.00 0.00 55.95 57.39 1snu s SER 584 Cb -0.13 -1.31 0.45 0.00 0.10 0.00 0.00 66.02 65.13 1snu s SER 584 CO 0.02 -3.09 1.69 0.71 0.98 0.00 0.00 173.24 173.55 1snu h THR 585 N -1.87 1.33 -0.29 2.02 1.35 -1.98 -2.46 112.91 111.01 1snu h THR 585 Ca -0.50 -1.61 -0.15 0.00 -0.55 0.00 0.00 66.41 63.61 1snu h THR 585 Cb 1.31 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1snu h THR 585 CO 0.52 0.47 -0.41 0.45 -0.25 0.00 0.00 175.52 176.30 1snu h HIS 586 N 0.15 0.86 -0.68 4.73 3.86 -2.00 -2.08 115.15 119.99 1snu h HIS 586 Ca 0.01 -0.26 0.02 0.00 -1.16 0.00 0.00 60.37 58.98 1snu h HIS 586 Cb 0.86 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 1snu h HIS 586 CO 0.01 1.01 0.44 0.28 0.86 0.00 0.00 177.93 180.53 1snu h VAL 587 N 0.58 1.14 -0.30 2.45 2.07 -1.86 -1.74 116.25 118.59 1snu h VAL 587 Ca 0.04 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1snu h VAL 587 Cb 0.96 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1snu h VAL 587 CO 0.09 0.16 -0.01 0.22 0.02 0.00 0.00 177.57 178.05 1snu h TYR 588 N 0.88 0.47 -0.16 1.57 3.20 -1.23 -2.53 116.97 119.18 1snu h TYR 588 Ca 0.26 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1snu h TYR 588 Cb -0.05 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1snu h TYR 588 CO -0.03 0.48 0.10 1.96 -1.64 0.00 0.00 178.16 179.03 1snu h GLN 589 N 0.44 0.22 -0.73 1.82 4.20 -0.62 0.45 115.11 120.90 1snu h GLN 589 Ca 0.10 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1snu h GLN 589 Cb 0.31 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1snu h GLN 589 CO 0.01 0.17 0.44 0.82 -0.67 0.00 0.00 178.83 179.59 1snu h ILE 590 N 0.20 1.20 -0.47 2.54 2.04 -1.27 -0.93 117.51 120.84 1snu h ILE 590 Ca 0.06 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1snu h ILE 590 Cb 0.00 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1snu h ILE 590 CO -0.01 0.21 0.18 0.24 0.00 0.00 0.00 178.15 178.77 1snu h MET 591 N 1.00 0.70 0.00 2.37 2.86 -0.98 -1.97 114.93 118.91 1snu h MET 591 Ca 0.26 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1snu h MET 591 Cb -0.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1snu h MET 591 CO -0.05 0.64 0.00 -0.91 1.06 0.00 0.00 176.91 177.65 1snu h ASN 592 N 0.61 0.00 1.01 1.22 2.35 -0.33 -1.28 115.58 119.16 1snu h ASN 592 Ca 0.15 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.70 1snu h ASN 592 Cb 0.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1snu h ASN 592 CO -0.01 0.00 -1.00 0.45 -1.65 0.00 0.00 177.43 175.22 1snu h HIS 593 N 0.00 0.00 0.00 1.19 3.86 -0.72 -2.80 115.15 116.68 1snu h HIS 593 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1snu h HIS 593 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 1snu h HIS 593 CO 0.00 0.96 -0.12 0.00 0.86 0.00 0.00 177.93 179.63 1snu n TRP 595 N -3.21 1.35 -1.08 0.00 8.01 -0.55 -3.74 117.44 118.20 1snu n TRP 595 Ca 0.01 -0.58 -0.34 0.00 -1.31 0.00 0.00 57.50 55.28 1snu n TRP 595 Cb 0.43 -0.17 0.11 0.00 -2.01 0.00 0.00 31.31 29.67 1snu n TRP 595 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1snu n LYS 596 N 1.30 0.11 -0.01 -0.99 4.76 -1.11 -4.90 118.16 117.32 1snu n LYS 596 Ca 0.26 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.66 1snu n LYS 596 Cb 0.82 -2.10 -0.09 0.00 -1.84 0.00 0.00 35.03 31.81 1snu n LYS 596 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1snu h GLU 597 N -0.89 0.03 -6.18 1.97 4.39 -1.93 -3.43 114.58 108.54 1snu h GLU 597 Ca -0.45 -0.01 -0.56 0.00 0.34 0.00 0.00 59.36 58.68 1snu h GLU 597 Cb 1.31 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1snu h GLU 597 CO 0.42 0.47 0.33 1.03 -1.16 0.00 0.00 179.01 180.10 1snu s ARG 598 N -4.40 4.45 0.38 2.33 0.52 -1.26 -4.82 118.95 116.15 1snu s ARG 598 Ca -0.16 1.18 0.10 0.00 -0.52 0.00 0.00 55.73 56.33 1snu s ARG 598 Cb 0.02 -3.49 0.87 0.00 0.52 0.00 0.00 34.95 32.87 1snu s ARG 598 CO 0.68 -0.12 1.92 -1.00 0.02 0.00 0.00 175.30 176.80 1snu h PRO 599 N 6.95 0.60 0.00 3.54 0.13 -1.95 0.53 132.00 141.80 1snu h PRO 599 Ca -0.37 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1snu h PRO 599 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1snu h PRO 599 CO 0.79 0.40 0.00 1.05 -0.23 0.00 0.00 178.00 180.01 1snu h GLU 600 N 0.62 0.00 -0.02 0.86 4.11 -1.97 -2.28 114.58 115.89 1snu h GLU 600 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1snu h GLU 600 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1snu h GLU 600 CO -0.14 0.00 -0.16 -0.25 0.07 0.00 0.00 179.01 178.53 1snu n ASP 601 N -2.42 2.47 -4.86 3.06 8.00 0.17 -4.90 116.55 118.08 1snu n ASP 601 Ca 0.00 -1.75 -0.34 0.00 0.71 0.00 0.00 54.79 53.41 1snu n ASP 601 Cb 0.16 0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 1snu n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1snu s ARG 602 N -2.17 3.91 0.68 -1.24 0.52 -0.86 -4.87 118.95 114.91 1snu s ARG 602 Ca 0.26 0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 55.73 1snu s ARG 602 Cb 0.19 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.83 1snu s ARG 602 CO 0.40 0.43 1.09 -2.14 0.02 0.00 0.00 175.30 175.10 1snu s PRO 603 N -2.24 2.77 0.48 3.54 0.02 -1.26 -5.02 135.00 133.28 1snu s PRO 603 Ca 0.41 1.28 -0.17 0.00 0.02 0.00 0.00 61.00 62.53 1snu s PRO 603 Cb -0.14 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1snu s PRO 603 CO 0.20 -1.26 0.96 0.00 -0.33 0.00 0.00 177.00 176.56 1snu s ALA 604 N -2.54 3.09 0.33 -1.55 0.00 -1.26 -4.85 121.76 114.98 1snu s ALA 604 Ca 0.64 0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1snu s ALA 604 Cb -0.19 -3.09 0.81 0.00 0.00 0.00 0.00 23.12 20.65 1snu s ALA 604 CO 0.45 -0.12 1.81 0.74 0.00 0.00 0.00 175.76 178.65 1snu h PHE 605 N 1.22 0.93 -0.87 0.00 -1.00 -1.93 0.78 116.94 116.06 1snu h PHE 605 Ca -0.47 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.36 1snu h PHE 605 Cb 1.18 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 40.41 1snu h PHE 605 CO 0.63 0.25 0.57 0.66 -1.61 0.00 0.00 178.31 178.81 1snu h SER 606 N 0.70 0.97 -0.04 2.17 4.64 -1.89 0.02 113.55 120.12 1snu h SER 606 Ca 0.53 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.69 1snu h SER 606 Cb 0.90 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1snu h SER 606 CO -0.30 0.69 -0.48 -0.09 -0.87 0.00 0.00 176.83 175.78 1snu h ARG 607 N 1.14 0.60 -0.92 4.77 9.65 -1.28 -2.80 114.38 125.53 1snu h ARG 607 Ca 0.33 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1snu h ARG 607 Cb -0.07 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 1snu h ARG 607 CO -0.09 0.94 0.54 -0.07 2.80 0.00 0.00 179.97 184.09 1snu h LEU 608 N 0.48 1.12 -0.01 3.80 3.38 -0.48 -1.46 115.31 122.14 1snu h LEU 608 Ca 0.03 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1snu h LEU 608 Cb 1.01 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1snu h LEU 608 CO 0.09 0.87 -0.51 0.25 0.09 0.00 0.00 178.44 179.24 1snu h LEU 609 N 1.28 -1.56 -0.94 1.67 5.85 -0.73 0.14 115.31 121.02 1snu h LEU 609 Ca 0.33 0.18 0.06 0.00 0.84 0.00 0.00 57.88 59.29 1snu h LEU 609 Cb -0.03 0.60 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1snu h LEU 609 CO -0.06 -0.51 0.60 0.03 -0.34 0.00 0.00 178.44 178.16 1snu h ARG 610 N -0.64 1.05 -0.19 1.25 -0.00 -1.47 0.13 114.38 114.50 1snu h ARG 610 Ca 0.02 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.42 1snu h ARG 610 Cb 0.71 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 30.43 1snu h ARG 610 CO -0.35 0.69 0.05 1.96 0.00 0.00 0.00 179.97 182.32 1snu h GLN 611 N 1.08 0.31 0.00 0.04 4.20 -0.50 -0.11 115.11 120.12 1snu h GLN 611 Ca 0.41 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.99 1snu h GLN 611 Cb 0.17 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1snu h GLN 611 CO -0.18 0.44 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.07 1snu h LEU 612 N 0.12 0.00 -0.42 1.46 3.38 -0.48 -0.82 115.31 118.55 1snu h LEU 612 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1snu h LEU 612 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1snu h LEU 612 CO 0.00 0.28 0.02 0.00 0.09 0.00 0.00 178.44 178.83 1snu h ALA 613 N 1.72 0.57 -0.22 1.53 0.00 -0.17 -2.98 119.26 119.70 1snu h ALA 613 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1snu h ALA 613 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1snu h ALA 613 CO 0.04 0.34 -0.01 0.93 0.00 0.00 0.00 179.25 180.54 1snu h GLU 614 N 0.58 0.40 -4.90 0.00 5.08 -0.72 -3.21 114.58 111.82 1snu h GLU 614 Ca 0.12 -0.14 -0.62 0.00 -1.00 0.00 0.00 59.36 57.73 1snu h GLU 614 Cb 0.45 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1snu h GLU 614 CO 0.02 0.60 2.32 -0.89 -1.00 0.00 0.00 179.01 180.06 1snu n ILE 615 N -4.64 2.96 -0.08 3.13 5.41 -0.34 -1.22 119.36 124.56 1snu n ILE 615 Ca -0.04 -2.83 0.00 0.00 1.00 0.00 0.00 62.75 60.88 1snu n ILE 615 Cb 0.25 -2.39 0.00 0.00 -0.71 0.00 0.00 39.64 36.79 1snu n ILE 615 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1snu n ALA 616 N 8.54 0.00 -0.33 -1.39 0.00 -1.21 -4.78 120.51 121.34 1snu n ALA 616 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1snu n ALA 616 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1snu n ALA 616 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59