#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyf n TYR 427 N 0.00 0.00 -3.93 1.12 0.18 -1.26 -4.32 117.16 108.94 3hyf n TYR 427 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 3hyf n TYR 427 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 3hyf n TYR 427 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 3hyf s GLN 428 N -0.78 0.33 0.50 -3.48 -2.07 -1.26 -4.95 119.66 107.94 3hyf s GLN 428 Ca 0.00 -0.47 -0.20 0.00 -1.82 0.00 0.00 55.36 52.87 3hyf s GLN 428 Cb 0.00 0.13 -0.08 0.00 -1.09 0.00 0.00 33.01 31.97 3hyf s GLN 428 CO 0.00 -0.06 1.06 -0.51 -1.32 0.00 0.00 175.29 174.45 3hyf s LEU 429 N -1.26 3.83 0.46 2.60 1.43 -1.26 -4.73 118.68 119.74 3hyf s LEU 429 Ca -0.14 1.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.70 3hyf s LEU 429 Cb -0.08 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 3hyf s LEU 429 CO -0.00 -0.87 1.28 -1.61 0.23 0.00 0.00 176.35 175.38 3hyf s GLU 430 N -3.24 3.70 0.36 1.70 0.41 0.24 -4.94 118.70 116.92 3hyf s GLU 430 Ca 0.68 2.08 0.19 0.00 -0.41 0.00 0.00 54.97 57.52 3hyf s GLU 430 Cb -0.18 -2.53 0.25 0.00 -1.78 0.00 0.00 34.13 29.88 3hyf s GLU 430 CO 0.21 -0.69 1.54 0.87 -0.49 0.00 0.00 175.26 176.70 3hyf h LYS 431 N 2.19 0.00 -4.33 1.61 1.79 -1.95 -3.43 116.57 112.46 3hyf h LYS 431 Ca -0.50 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.82 3hyf h LYS 431 Cb 1.26 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.75 3hyf h LYS 431 CO 0.61 0.28 -0.69 -1.21 -1.08 0.00 0.00 179.45 177.35 3hyf s GLU 432 N -3.11 0.63 0.44 3.15 0.41 -1.26 -5.10 118.70 113.87 3hyf s GLU 432 Ca 0.05 -1.17 -0.24 0.00 -0.41 0.00 0.00 54.97 53.20 3hyf s GLU 432 Cb 0.07 0.08 -0.10 0.00 -1.78 0.00 0.00 34.13 32.40 3hyf s GLU 432 CO 0.71 -0.08 1.09 -2.30 -0.49 0.00 0.00 175.26 174.19 3hyf n PRO 433 N 0.26 1.47 -2.97 0.39 -0.02 -1.26 -4.83 135.00 128.05 3hyf n PRO 433 Ca -0.15 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3hyf n PRO 433 Cb 0.60 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 3hyf n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hyf s ILE 434 N -1.28 4.79 0.13 4.25 1.01 -1.26 -5.02 121.20 123.83 3hyf s ILE 434 Ca 0.64 1.05 -0.31 0.00 0.00 0.00 0.00 60.65 62.04 3hyf s ILE 434 Cb -0.52 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 37.72 3hyf s ILE 434 CO 0.56 -0.29 1.38 -0.69 0.00 0.00 0.00 174.94 175.89 3hyf s VAL 435 N 2.96 3.27 0.00 2.92 1.01 -1.26 -2.53 120.40 126.77 3hyf s VAL 435 Ca 0.31 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3hyf s VAL 435 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3hyf s VAL 435 CO 0.14 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3hyf n GLY 436 N 3.26 0.82 3.91 4.51 0.00 -1.26 -5.04 105.19 111.39 3hyf n GLY 436 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3hyf n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hyf s ALA 437 N -3.19 3.97 0.38 4.61 0.00 -1.05 -5.07 121.76 121.41 3hyf s ALA 437 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 3hyf s ALA 437 Cb 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 23.12 21.15 3hyf s ALA 437 CO 0.00 0.77 1.46 -2.00 0.00 0.00 0.00 175.76 176.00 3hyf s GLU 438 N -2.10 4.07 -0.21 0.00 2.12 -1.26 -4.70 118.70 116.62 3hyf s GLU 438 Ca 0.29 2.52 -0.05 0.00 0.36 0.00 0.00 54.97 58.10 3hyf s GLU 438 Cb -0.13 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3hyf s GLU 438 CO 0.21 -0.54 -0.01 0.99 -0.54 0.00 0.00 175.26 175.37 3hyf s THR 439 N -1.13 3.78 -0.24 -1.70 2.01 -1.26 -1.60 115.64 115.49 3hyf s THR 439 Ca 0.54 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 3hyf s THR 439 Cb -0.46 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3hyf s THR 439 CO 0.61 0.42 0.13 -0.36 -0.69 0.00 0.00 174.62 174.73 3hyf s PHE 440 N 1.23 3.24 -0.29 4.92 0.40 0.48 -1.58 117.98 126.38 3hyf s PHE 440 Ca 0.03 0.05 -0.14 0.00 -0.60 0.00 0.00 56.93 56.27 3hyf s PHE 440 Cb -0.15 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 3hyf s PHE 440 CO 0.01 -0.06 0.31 0.71 0.70 0.00 0.00 175.22 176.89 3hyf s TYR 441 N 1.21 3.23 0.20 0.36 1.51 0.71 -0.47 117.35 124.10 3hyf s TYR 441 Ca 0.06 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 3hyf s TYR 441 Cb -0.14 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.13 3hyf s TYR 441 CO 0.05 -0.27 0.05 0.14 -1.11 0.00 0.00 175.55 174.41 3hyf s VAL 442 N 1.96 3.90 0.10 0.71 -7.23 -0.69 -1.54 120.40 117.61 3hyf s VAL 442 Ca 0.12 -1.44 -0.26 0.00 -1.81 0.00 0.00 61.98 58.58 3hyf s VAL 442 Cb -0.16 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 33.85 3hyf s VAL 442 CO 0.11 -0.18 0.91 -0.62 -0.31 0.00 0.00 175.10 175.01 3hyf s ASP 443 N -3.20 -0.26 0.07 4.85 2.15 -0.94 -4.39 116.67 114.95 3hyf s ASP 443 Ca 0.29 -0.25 -0.05 0.00 0.43 0.00 0.00 52.55 52.97 3hyf s ASP 443 Cb -0.09 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 3hyf s ASP 443 CO 0.20 -0.81 0.10 -0.83 -0.17 0.00 0.00 175.17 173.66 3hyf s GLY 444 N -2.77 0.24 -0.03 2.66 0.00 -1.26 -1.95 107.32 104.22 3hyf s GLY 444 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 43.92 3hyf s GLY 444 CO -0.02 -0.98 0.15 0.00 0.00 0.00 0.00 173.10 172.24 3hyf s ALA 445 N -3.73 -0.35 -0.01 3.20 0.00 -0.45 -4.81 121.76 115.61 3hyf s ALA 445 Ca 0.04 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 3hyf s ALA 445 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3hyf s ALA 445 CO -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 175.76 175.56 3hyf s ALA 446 N -0.69 -0.11 -0.11 0.00 0.00 -1.26 -0.51 121.76 119.09 3hyf s ALA 446 Ca -0.08 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 3hyf s ALA 446 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3hyf s ALA 446 CO 0.01 -0.06 0.66 1.21 0.00 0.00 0.00 175.76 177.58 3hyf s ASN 447 N -0.29 6.88 0.30 0.00 3.84 0.65 -4.76 114.94 121.55 3hyf s ASN 447 Ca -0.03 1.06 0.03 0.00 0.21 0.00 0.00 52.86 54.13 3hyf s ASN 447 Cb -0.02 -2.38 0.47 0.00 -0.55 0.00 0.00 41.25 38.76 3hyf s ASN 447 CO 0.00 -0.15 1.76 -0.09 -2.79 0.00 0.00 177.10 175.83 3hyf h ARG 448 N 6.93 0.46 0.11 0.43 2.43 -1.91 0.28 114.38 123.11 3hyf h ARG 448 Ca -0.38 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3hyf h ARG 448 Cb 1.18 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hyf h ARG 448 CO 0.76 0.65 -0.05 0.93 -1.51 0.00 0.00 179.97 180.75 3hyf h GLU 449 N 0.42 -0.14 0.00 0.20 4.39 -1.97 -3.36 114.58 114.13 3hyf h GLU 449 Ca 0.07 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3hyf h GLU 449 Cb 0.59 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3hyf h GLU 449 CO 0.04 -0.09 -0.09 1.79 -1.16 0.00 0.00 179.01 179.50 3hyf h THR 450 N -0.47 0.20 -0.59 1.13 1.35 -1.99 -3.46 112.91 109.07 3hyf h THR 450 Ca -0.01 -0.92 -0.26 0.00 -0.55 0.00 0.00 66.41 64.67 3hyf h THR 450 Cb 0.11 1.78 -0.10 0.00 -1.73 0.00 0.00 68.15 68.20 3hyf h THR 450 CO 0.02 0.09 -0.23 0.29 -0.25 0.00 0.00 175.52 175.44 3hyf n LYS 451 N -3.17 -1.66 -2.80 4.72 5.02 0.98 -4.72 118.16 116.52 3hyf n LYS 451 Ca 0.02 0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 56.86 3hyf n LYS 451 Cb 0.43 -5.36 -0.06 0.00 -0.02 0.00 0.00 35.03 30.01 3hyf n LYS 451 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hyf s LEU 452 N -2.84 4.48 0.30 -0.35 1.98 -1.25 -0.82 118.68 120.18 3hyf s LEU 452 Ca 0.00 1.84 -0.02 0.00 -2.89 0.00 0.00 54.13 53.06 3hyf s LEU 452 Cb 0.00 -3.77 -0.01 0.00 0.66 0.00 0.00 46.19 43.06 3hyf s LEU 452 CO 0.00 0.05 0.37 -0.83 -1.89 0.00 0.00 176.35 174.05 3hyf s GLY 453 N -1.41 1.47 0.02 7.98 0.00 -0.74 -0.25 107.32 114.39 3hyf s GLY 453 Ca 0.45 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.63 3hyf s GLY 453 CO 0.27 -1.10 -0.05 0.54 0.00 0.00 0.00 173.10 172.75 3hyf s LYS 454 N -3.51 0.39 0.04 2.90 1.02 0.34 -0.90 119.74 120.01 3hyf s LYS 454 Ca 0.33 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.82 3hyf s LYS 454 Cb 0.02 -0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.15 3hyf s LYS 454 CO 0.18 0.02 -0.15 0.00 -0.92 0.00 0.00 175.35 174.49 3hyf s ALA 455 N -1.08 1.23 0.10 5.17 0.00 -0.67 -1.34 121.76 125.17 3hyf s ALA 455 Ca -0.09 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 3hyf s ALA 455 Cb -0.08 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 22.92 3hyf s ALA 455 CO -0.00 0.24 1.13 0.20 0.00 0.00 0.00 175.76 177.33 3hyf s GLY 456 N -1.08 -0.06 0.06 0.00 0.00 -0.82 -0.96 107.32 104.47 3hyf s GLY 456 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 3hyf s GLY 456 CO 0.01 2.74 0.19 -2.52 0.00 0.00 0.00 173.10 173.53 3hyf s TYR 457 N -2.28 0.10 0.02 1.90 -0.85 -0.42 -2.21 117.35 113.61 3hyf s TYR 457 Ca 0.22 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.40 3hyf s TYR 457 Cb -0.01 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 3hyf s TYR 457 CO 0.02 -0.48 -0.13 0.14 -1.52 0.00 0.00 175.55 173.58 3hyf s VAL 458 N -3.16 1.04 0.33 -3.49 -7.23 -0.59 -1.87 120.40 105.43 3hyf s VAL 458 Ca -0.00 -0.81 0.10 0.00 -1.81 0.00 0.00 61.98 59.45 3hyf s VAL 458 Cb 0.02 -0.91 -0.06 0.00 0.56 0.00 0.00 36.38 35.98 3hyf s VAL 458 CO -0.07 0.10 -0.10 0.42 -0.31 0.00 0.00 175.10 175.14 3hyf s THR 459 N -0.64 2.35 -2.00 5.32 -4.23 0.19 -0.21 115.64 116.42 3hyf s THR 459 Ca 0.02 -2.21 0.20 0.00 -1.18 0.00 0.00 61.69 58.53 3hyf s THR 459 Cb -0.07 -2.61 0.57 0.00 1.34 0.00 0.00 72.50 71.73 3hyf s THR 459 CO 0.01 -0.24 1.68 -0.46 -0.54 0.00 0.00 174.62 175.07 3hyf n ASN 460 N -0.79 0.00 -1.01 3.99 6.94 -0.62 -1.84 115.26 121.93 3hyf n ASN 460 Ca -0.05 -1.10 0.08 0.00 -0.02 0.00 0.00 54.58 53.50 3hyf n ASN 460 Cb 0.63 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.29 3hyf n ASN 460 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hyf n ARG 461 N -0.86 2.92 -0.45 -3.83 1.74 -1.26 -4.97 116.66 109.95 3hyf n ARG 461 Ca 0.15 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 3hyf n ARG 461 Cb 0.07 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3hyf n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hyf n GLY 462 N 0.94 0.77 3.87 -0.13 0.00 -0.77 -5.06 105.19 104.81 3hyf n GLY 462 Ca 0.18 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3hyf n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hyf s ARG 463 N -0.62 3.69 0.04 1.61 0.52 -1.26 -4.90 118.95 118.04 3hyf s ARG 463 Ca 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 3hyf s ARG 463 Cb 0.00 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 3hyf s ARG 463 CO 0.00 0.65 -0.07 -0.65 0.02 0.00 0.00 175.30 175.24 3hyf s GLN 464 N -1.57 0.53 -0.09 3.54 -0.21 -1.26 -0.64 119.66 119.96 3hyf s GLN 464 Ca 0.27 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.74 3hyf s GLN 464 Cb -0.14 -0.26 0.03 0.00 1.00 0.00 0.00 33.01 33.64 3hyf s GLN 464 CO 0.15 0.04 0.32 0.21 -2.12 0.00 0.00 175.29 173.89 3hyf s LYS 465 N -1.73 0.47 -0.00 2.91 2.20 -0.78 -4.99 119.74 117.82 3hyf s LYS 465 Ca -0.09 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.79 3hyf s LYS 465 Cb -0.09 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3hyf s LYS 465 CO -0.00 -0.09 -0.05 0.08 -0.36 0.00 0.00 175.35 174.94 3hyf s VAL 466 N -0.29 0.36 0.04 4.02 1.01 -1.26 -1.30 120.40 122.98 3hyf s VAL 466 Ca -0.04 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3hyf s VAL 466 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 3hyf s VAL 466 CO 0.02 0.06 -0.17 0.68 0.00 0.00 0.00 175.10 175.68 3hyf s VAL 467 N -0.21 1.38 -0.06 2.92 -7.23 -0.13 -4.99 120.40 112.08 3hyf s VAL 467 Ca 0.01 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 3hyf s VAL 467 Cb -0.02 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 3hyf s VAL 467 CO -0.00 0.09 0.27 -0.89 -0.31 0.00 0.00 175.10 174.26 3hyf s THR 468 N -0.83 5.28 -0.00 5.32 2.01 -1.26 -1.67 115.64 124.48 3hyf s THR 468 Ca 0.04 0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.61 3hyf s THR 468 Cb -0.08 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 3hyf s THR 468 CO 0.02 0.60 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.57 3hyf s LEU 469 N -1.06 2.07 -0.01 4.42 1.43 -0.08 -4.99 118.68 120.45 3hyf s LEU 469 Ca 0.19 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3hyf s LEU 469 Cb -0.14 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3hyf s LEU 469 CO 0.09 0.24 0.26 -0.89 0.23 0.00 0.00 176.35 176.28 3hyf s THR 470 N -0.56 5.30 -1.17 5.49 2.01 -1.26 -1.79 115.64 123.66 3hyf s THR 470 Ca 0.08 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 3hyf s THR 470 Cb -0.08 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3hyf s THR 470 CO -0.00 0.43 0.80 -0.67 -0.69 0.00 0.00 174.62 174.48 3hyf n ASP 471 N 1.34 -4.26 -4.32 3.53 4.64 -0.79 -4.97 116.55 111.71 3hyf n ASP 471 Ca -0.13 -0.87 -0.29 0.00 -1.38 0.00 0.00 54.79 52.12 3hyf n ASP 471 Cb 0.53 -4.10 -0.06 0.00 -1.04 0.00 0.00 41.12 36.45 3hyf n ASP 471 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3hyf n THR 472 N -3.96 0.00 -4.28 5.18 5.66 0.00 -5.05 114.28 111.83 3hyf n THR 472 Ca -0.16 -2.24 -0.15 0.00 -3.05 0.00 0.00 64.05 58.45 3hyf n THR 472 Cb 0.63 0.53 -0.10 0.00 -1.55 0.00 0.00 70.33 69.83 3hyf n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hyf s THR 473 N -2.77 0.89 0.18 1.09 -4.23 -1.26 -4.76 115.64 104.77 3hyf s THR 473 Ca 0.04 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.41 3hyf s THR 473 Cb 0.00 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.72 3hyf s THR 473 CO 0.03 -0.43 1.75 0.78 -0.54 0.00 0.00 174.62 176.21 3hyf h ASN 474 N 2.60 0.18 -0.65 3.99 -0.26 -1.90 -1.28 115.58 118.25 3hyf h ASN 474 Ca -0.37 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.43 3hyf h ASN 474 Cb 1.21 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.48 3hyf h ASN 474 CO 0.64 0.13 0.43 1.56 -1.06 0.00 0.00 177.43 179.13 3hyf h GLN 475 N 0.35 0.86 -0.58 0.81 4.20 -1.96 -1.89 115.11 116.90 3hyf h GLN 475 Ca 0.23 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3hyf h GLN 475 Cb 0.23 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3hyf h GLN 475 CO -0.23 0.57 0.12 0.87 -0.67 0.00 0.00 178.83 179.49 3hyf h LYS 476 N 0.89 0.90 -0.28 1.46 1.57 -1.85 -2.46 116.57 116.80 3hyf h LYS 476 Ca 0.24 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3hyf h LYS 476 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3hyf h LYS 476 CO -0.05 0.82 -0.22 1.79 -0.57 0.00 0.00 179.45 181.22 3hyf h THR 477 N 0.86 1.26 -0.55 -0.16 1.35 -0.77 -0.23 112.91 114.67 3hyf h THR 477 Ca 0.18 -1.23 -0.08 0.00 -0.55 0.00 0.00 66.41 64.73 3hyf h THR 477 Cb 0.34 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 3hyf h THR 477 CO 0.00 0.40 0.02 -0.33 -0.25 0.00 0.00 175.52 175.35 3hyf h GLU 478 N 0.46 0.97 -0.56 4.72 4.39 -1.03 -0.14 114.58 123.39 3hyf h GLU 478 Ca 0.07 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 3hyf h GLU 478 Cb 0.64 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3hyf h GLU 478 CO 0.05 0.96 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.77 3hyf h LEU 479 N 0.85 0.99 -1.10 1.33 3.38 -1.27 -2.71 115.31 116.78 3hyf h LEU 479 Ca 0.16 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3hyf h LEU 479 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3hyf h LEU 479 CO 0.03 1.06 0.11 -0.61 0.09 0.00 0.00 178.44 179.12 3hyf h GLN 480 N 0.88 0.75 -0.57 1.13 5.75 -0.74 -1.50 115.11 120.81 3hyf h GLN 480 Ca 0.15 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 3hyf h GLN 480 Cb 0.57 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3hyf h GLN 480 CO 0.03 0.69 0.04 0.00 -2.65 0.00 0.00 178.83 176.94 3hyf h ALA 481 N 1.40 0.99 -0.47 3.38 0.00 -0.88 -1.34 119.26 122.34 3hyf h ALA 481 Ca 0.16 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hyf h ALA 481 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hyf h ALA 481 CO -0.00 0.62 -0.20 0.82 0.00 0.00 0.00 179.25 180.50 3hyf h ILE 482 N 0.89 1.27 -0.65 0.00 2.04 -1.13 -1.75 117.51 118.18 3hyf h ILE 482 Ca 0.17 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.70 3hyf h ILE 482 Cb 0.47 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3hyf h ILE 482 CO 0.02 0.46 0.41 0.22 0.00 0.00 0.00 178.15 179.26 3hyf h TYR 483 N 0.82 0.77 -0.65 1.37 5.03 -0.97 -0.81 116.97 122.53 3hyf h TYR 483 Ca 0.11 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 3hyf h TYR 483 Cb 0.76 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 3hyf h TYR 483 CO 0.05 0.45 0.36 -0.07 -1.32 0.00 0.00 178.16 177.63 3hyf h LEU 484 N 0.81 0.81 -0.74 2.82 3.38 -1.02 0.11 115.31 121.49 3hyf h LEU 484 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hyf h LEU 484 Cb -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3hyf h LEU 484 CO -0.09 0.68 0.33 0.00 0.09 0.00 0.00 178.44 179.44 3hyf h ALA 485 N 1.17 0.96 -0.52 1.53 0.00 -0.83 -1.15 119.26 120.43 3hyf h ALA 485 Ca 0.23 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3hyf h ALA 485 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hyf h ALA 485 CO -0.04 0.55 -0.07 -0.07 0.00 0.00 0.00 179.25 179.63 3hyf h LEU 486 N 1.05 0.96 -0.90 0.00 3.38 -0.82 -2.20 115.31 116.77 3hyf h LEU 486 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hyf h LEU 486 Cb 0.16 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3hyf h LEU 486 CO -0.03 1.07 0.53 1.56 0.09 0.00 0.00 178.44 181.66 3hyf h GLN 487 N 0.83 1.23 -0.00 1.13 4.20 -0.35 -3.23 115.11 118.91 3hyf h GLN 487 Ca 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hyf h GLN 487 Cb 0.62 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3hyf h GLN 487 CO 0.04 0.87 -0.71 -0.25 -0.67 0.00 0.00 178.83 178.11 3hyf n ASP 488 N -4.38 0.94 -4.93 1.46 8.00 -0.47 -4.95 116.55 112.22 3hyf n ASP 488 Ca 0.10 -0.79 -0.25 0.00 0.71 0.00 0.00 54.79 54.56 3hyf n ASP 488 Cb 0.07 0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.79 3hyf n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hyf s SER 489 N -2.90 5.92 0.87 -2.24 1.04 -0.84 -5.08 113.70 110.47 3hyf s SER 489 Ca 0.12 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3hyf s SER 489 Cb 0.17 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.46 3hyf s SER 489 CO 0.75 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3hyf n GLY 490 N -2.25 -1.71 0.22 7.32 0.00 -1.26 -4.94 105.19 102.57 3hyf n GLY 490 Ca 0.01 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3hyf n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hyf h LEU 491 N 0.00 0.00 -8.40 0.99 3.38 -1.96 -3.40 115.31 105.92 3hyf h LEU 491 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3hyf h LEU 491 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 3hyf h LEU 491 CO 0.00 0.00 -0.88 -1.61 0.09 0.00 0.00 178.44 176.04 3hyf s GLU 492 N -3.51 2.85 -0.14 1.13 2.02 -1.26 -0.11 118.70 119.68 3hyf s GLU 492 Ca 0.03 -0.89 -0.18 0.00 0.02 0.00 0.00 54.97 53.95 3hyf s GLU 492 Cb 0.09 -2.25 0.05 0.00 0.10 0.00 0.00 34.13 32.12 3hyf s GLU 492 CO 0.51 0.26 0.47 0.54 0.02 0.00 0.00 175.26 177.06 3hyf s VAL 493 N 0.13 0.01 -0.17 2.63 0.11 -0.90 -4.37 120.40 117.84 3hyf s VAL 493 Ca -0.13 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 3hyf s VAL 493 Cb -0.16 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 3hyf s VAL 493 CO 0.07 -0.04 0.07 0.20 -3.33 0.00 0.00 175.10 172.07 3hyf s ASN 494 N -0.10 5.71 -0.11 3.54 0.02 -0.63 -1.65 114.94 121.73 3hyf s ASN 494 Ca -0.03 0.13 0.01 0.00 -1.02 0.00 0.00 52.86 51.96 3hyf s ASN 494 Cb -0.03 -1.94 0.02 0.00 0.02 0.00 0.00 41.25 39.31 3hyf s ASN 494 CO 0.02 0.21 -0.14 -0.63 0.02 0.00 0.00 177.10 176.59 3hyf s ILE 495 N 0.13 1.38 -0.28 0.60 1.01 0.70 -0.38 121.20 124.37 3hyf s ILE 495 Ca 0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 3hyf s ILE 495 Cb -0.12 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3hyf s ILE 495 CO 0.00 0.42 -0.01 -0.69 0.00 0.00 0.00 174.94 174.66 3hyf s VAL 496 N 1.07 3.09 0.19 2.92 1.01 0.38 -1.05 120.40 128.01 3hyf s VAL 496 Ca -0.05 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.88 3hyf s VAL 496 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3hyf s VAL 496 CO -0.02 0.05 -0.01 0.28 0.00 0.00 0.00 175.10 175.40 3hyf s THR 497 N 1.32 3.63 -0.99 3.92 -1.32 -0.14 -1.70 115.64 120.36 3hyf s THR 497 Ca -0.02 -1.51 0.12 0.00 -1.21 0.00 0.00 61.69 59.08 3hyf s THR 497 Cb -0.18 -2.84 0.35 0.00 -1.51 0.00 0.00 72.50 68.33 3hyf s THR 497 CO -0.02 -0.14 1.30 -0.90 -2.21 0.00 0.00 174.62 172.64 3hyf n ASP 498 N -0.20 3.10 -4.52 8.08 3.85 -1.26 -1.06 116.55 124.55 3hyf n ASP 498 Ca -0.09 -2.05 -0.43 0.00 -0.71 0.00 0.00 54.79 51.50 3hyf n ASP 498 Cb 0.56 -0.28 -0.07 0.00 -1.35 0.00 0.00 41.12 39.98 3hyf n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3hyf s SER 499 N -1.04 6.32 0.24 -1.12 0.15 -1.26 -4.60 113.70 112.40 3hyf s SER 499 Ca 0.27 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.50 3hyf s SER 499 Cb 0.15 -2.33 0.25 0.00 -1.71 0.00 0.00 66.02 62.39 3hyf s SER 499 CO 0.17 -0.81 1.85 1.56 1.20 0.00 0.00 173.24 177.21 3hyf h GLN 500 N 8.90 1.16 0.33 5.44 4.20 -1.95 -1.86 115.11 131.34 3hyf h GLN 500 Ca -0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 3hyf h GLN 500 Cb 1.09 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3hyf h GLN 500 CO 0.91 0.89 -0.16 -0.92 -0.67 0.00 0.00 178.83 178.88 3hyf h TYR 501 N 1.16 -0.41 -0.57 2.96 3.20 -1.98 -0.53 116.97 120.80 3hyf h TYR 501 Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3hyf h TYR 501 Cb 0.10 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3hyf h TYR 501 CO 0.01 -0.20 0.30 0.00 -1.64 0.00 0.00 178.16 176.63 3hyf h ALA 502 N 0.14 0.73 -0.59 1.82 0.00 -1.88 0.11 119.26 119.59 3hyf h ALA 502 Ca -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3hyf h ALA 502 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hyf h ALA 502 CO 0.07 0.27 0.03 1.25 0.00 0.00 0.00 179.25 180.87 3hyf h LEU 503 N 0.77 0.98 -0.19 0.00 5.85 -1.36 -1.94 115.31 119.42 3hyf h LEU 503 Ca 0.20 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3hyf h LEU 503 Cb 0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3hyf h LEU 503 CO -0.03 1.02 0.03 1.23 -0.34 0.00 0.00 178.44 180.35 3hyf h GLY 504 N 1.01 0.34 1.54 3.75 0.00 -0.35 0.06 103.07 109.41 3hyf h GLY 504 Ca 0.17 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 3hyf h GLY 504 CO 0.02 0.21 -0.72 1.19 0.00 0.00 0.00 176.54 177.25 3hyf h ILE 505 N 0.11 1.36 -0.03 2.60 -0.00 -0.75 -0.60 117.51 120.21 3hyf h ILE 505 Ca 0.06 -2.08 -0.01 0.00 -0.00 0.00 0.00 64.86 62.83 3hyf h ILE 505 Cb 0.31 2.06 -0.00 0.00 -0.00 0.00 0.00 36.82 39.20 3hyf h ILE 505 CO 0.00 0.63 -0.01 0.40 -0.00 0.00 0.00 178.15 179.17 3hyf h ILE 506 N 0.32 1.32 -0.99 2.19 2.04 -1.36 -2.96 117.51 118.07 3hyf h ILE 506 Ca -0.03 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 64.95 3hyf h ILE 506 Cb 1.29 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 3hyf h ILE 506 CO 0.13 0.26 0.63 0.74 0.00 0.00 0.00 178.15 179.90 3hyf h THR 79 N -0.32 1.03 0.00 -0.27 2.02 -0.93 0.25 112.91 114.69 3hyf h THR 79 Ca 0.01 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3hyf h THR 79 Cb 0.42 -0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3hyf h THR 79 CO 0.00 0.20 -0.05 -0.61 0.37 0.00 0.00 175.52 175.44 3hyf h GLN 80 N 1.10 0.00 0.02 6.66 5.75 -1.06 -1.47 115.11 126.10 3hyf h GLN 80 Ca 0.45 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.92 3hyf h GLN 80 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 3hyf h GLN 80 CO -0.20 0.05 -0.15 2.35 -2.65 0.00 0.00 178.83 178.23 3hyf h TRP 81 N 0.00 0.07 0.00 3.99 7.01 -0.80 -2.57 115.95 123.65 3hyf h TRP 81 Ca -0.00 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 60.89 3hyf h TRP 81 Cb 0.14 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 3hyf h TRP 81 CO 0.00 1.06 -0.29 0.82 -2.79 0.00 0.00 178.44 177.23 3hyf h ILE 82 N -0.92 1.12 0.13 2.65 2.04 -1.05 0.35 117.51 121.83 3hyf h ILE 82 Ca -0.03 -1.04 -0.28 0.00 1.00 0.00 0.00 64.86 64.51 3hyf h ILE 82 Cb 1.09 1.58 0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3hyf h ILE 82 CO 0.01 0.29 -1.17 -0.74 0.00 0.00 0.00 178.15 176.54 3hyf h HIS 83 N 0.00 0.94 0.19 1.37 2.76 -1.40 -3.05 115.15 115.96 3hyf h HIS 83 Ca -0.00 -0.60 0.01 0.00 -2.20 0.00 0.00 60.37 57.58 3hyf h HIS 83 Cb 0.55 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 3hyf h HIS 83 CO 0.00 1.45 -0.31 -0.97 -1.30 0.00 0.00 177.93 176.80 3hyf h ASN 84 N 0.16 -0.87 -0.88 3.26 -1.24 -1.00 -1.55 115.58 113.46 3hyf h ASN 84 Ca -0.18 0.09 0.22 0.00 0.71 0.00 0.00 56.30 57.14 3hyf h ASN 84 Cb 1.87 0.32 -0.16 0.00 0.73 0.00 0.00 38.32 41.08 3hyf h ASN 84 CO 0.22 -0.42 0.01 -0.25 -1.29 0.00 0.00 177.43 175.71 3hyf h TRP 85 N -0.58 -0.07 -0.16 0.67 7.01 -1.05 1.47 115.95 123.24 3hyf h TRP 85 Ca 0.01 0.06 -0.10 0.00 2.11 0.00 0.00 58.89 60.98 3hyf h TRP 85 Cb 0.57 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 3hyf h TRP 85 CO -0.24 -0.33 -0.33 -0.22 -2.79 0.00 0.00 178.44 174.52 3hyf h LYS 86 N 0.06 0.33 0.00 2.65 3.64 -1.19 -2.86 116.57 119.20 3hyf h LYS 86 Ca 0.50 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 3hyf h LYS 86 Cb 0.96 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3hyf h LYS 86 CO -0.80 0.63 -1.24 1.63 -2.27 0.00 0.00 179.45 177.40 3hyf n LYS 87 N -4.08 0.54 0.00 1.90 5.02 -0.48 -4.83 118.16 116.22 3hyf n LYS 87 Ca -0.01 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3hyf n LYS 87 Cb 0.44 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3hyf n LYS 87 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hyf n ARG 88 N -1.73 2.10 0.00 1.97 5.12 0.48 -5.08 116.66 119.52 3hyf n ARG 88 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3hyf n ARG 88 Cb 0.19 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 3hyf n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hyf n GLY 89 N 2.38 -2.13 3.75 -0.13 0.00 0.04 -4.94 105.19 104.17 3hyf n GLY 89 Ca 0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 3hyf n GLY 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hyf s TRP 90 N -3.63 3.83 0.50 1.61 1.48 -1.26 -4.73 118.94 116.74 3hyf s TRP 90 Ca 0.00 1.84 0.00 0.00 -1.06 0.00 0.00 56.10 56.88 3hyf s TRP 90 Cb 0.00 -3.08 0.00 0.00 -1.16 0.00 0.00 33.47 29.23 3hyf s TRP 90 CO 0.00 0.09 0.00 -0.35 -4.06 0.00 0.00 176.95 172.63 3hyf n PRO 97 N 1.33 -3.43 -0.05 3.25 -0.04 -1.26 -5.16 135.00 129.63 3hyf n PRO 97 Ca -0.01 2.67 -0.08 0.00 -0.04 0.00 0.00 63.50 66.04 3hyf n PRO 97 Cb 0.46 -3.37 -0.04 0.00 -0.04 0.00 0.00 33.50 30.51 3hyf n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hyf n VAL 98 N -2.54 0.55 -3.05 0.52 0.31 -1.26 -4.81 118.33 108.05 3hyf n VAL 98 Ca -0.01 -0.19 -0.39 0.00 -0.01 0.00 0.00 64.34 63.75 3hyf n VAL 98 Cb 0.42 -1.08 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 3hyf n VAL 98 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hyf s LYS 99 N -2.19 4.45 -1.46 5.55 1.02 -1.26 -4.21 119.74 121.65 3hyf s LYS 99 Ca -0.13 1.04 -0.04 0.00 0.02 0.00 0.00 55.97 56.85 3hyf s LYS 99 Cb 0.04 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3hyf s LYS 99 CO 0.21 0.56 0.59 0.09 -0.92 0.00 0.00 175.35 175.87 3hyf n ASN 100 N 1.48 -5.88 -0.10 2.83 3.02 -1.26 -4.90 115.26 110.45 3hyf n ASN 100 Ca -0.06 -0.28 -0.11 0.00 -0.03 0.00 0.00 54.58 54.11 3hyf n ASN 100 Cb 0.49 -4.69 -0.03 0.00 -0.61 0.00 0.00 39.78 34.94 3hyf n ASN 100 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3hyf h VAL 101 N -1.35 1.24 -0.99 2.41 -1.51 -1.88 -1.40 116.25 112.77 3hyf h VAL 101 Ca -0.50 -0.83 0.05 0.00 -1.23 0.00 0.00 66.70 64.19 3hyf h VAL 101 Cb 1.34 1.22 -0.06 0.00 -2.13 0.00 0.00 31.29 31.66 3hyf h VAL 101 CO 0.53 0.27 0.65 0.44 -1.23 0.00 0.00 177.57 178.23 3hyf h ASP 102 N 0.30 1.06 0.01 4.19 3.32 -1.94 -1.84 116.42 121.53 3hyf h ASP 102 Ca 0.09 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 3hyf h ASP 102 Cb 0.36 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.70 3hyf h ASP 102 CO 0.01 0.70 -0.94 0.25 -1.72 0.00 0.00 179.24 177.54 3hyf h LEU 517 N 1.21 0.80 -1.41 1.55 6.46 -1.90 -1.69 115.31 120.34 3hyf h LEU 517 Ca 0.41 -0.75 -0.04 0.00 -0.12 0.00 0.00 57.88 57.37 3hyf h LEU 517 Cb 0.07 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 3hyf h LEU 517 CO -0.14 1.46 -0.06 0.58 -0.62 0.00 0.00 178.44 179.66 3hyf h VAL 518 N 0.24 1.17 -0.34 1.05 2.07 -1.12 -1.80 116.25 117.52 3hyf h VAL 518 Ca -0.12 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 3hyf h VAL 518 Cb 1.61 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3hyf h VAL 518 CO 0.18 0.22 -0.17 0.78 0.02 0.00 0.00 177.57 178.61 3hyf h ASN 519 N 0.31 0.73 -0.91 0.57 2.35 -1.19 -1.42 115.58 116.03 3hyf h ASN 519 Ca 0.07 -0.41 0.03 0.00 -0.55 0.00 0.00 56.30 55.45 3hyf h ASN 519 Cb 0.30 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 3hyf h ASN 519 CO 0.01 0.98 0.60 1.56 -1.65 0.00 0.00 177.43 178.93 3hyf h GLN 520 N 0.49 1.11 -0.25 0.81 4.20 -0.83 -0.90 115.11 119.73 3hyf h GLN 520 Ca 0.08 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3hyf h GLN 520 Cb 0.70 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3hyf h GLN 520 CO 0.05 0.73 -0.10 0.82 -0.67 0.00 0.00 178.83 179.66 3hyf h ILE 521 N 1.14 1.30 -0.77 2.54 2.04 -1.16 -2.28 117.51 120.32 3hyf h ILE 521 Ca 0.36 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 3hyf h ILE 521 Cb 0.01 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3hyf h ILE 521 CO -0.11 0.36 0.31 0.40 0.00 0.00 0.00 178.15 179.12 3hyf h ILE 522 N 0.24 1.26 0.00 -0.67 1.08 -0.95 0.07 117.51 118.53 3hyf h ILE 522 Ca 0.06 -0.80 -0.06 0.00 -0.39 0.00 0.00 64.86 63.67 3hyf h ILE 522 Cb 0.60 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3hyf h ILE 522 CO 0.03 0.33 -0.28 -0.33 -0.69 0.00 0.00 178.15 177.21 3hyf h GLU 523 N 1.10 0.00 -0.07 2.37 5.08 -1.13 -2.36 114.58 119.57 3hyf h GLU 523 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3hyf h GLU 523 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hyf h GLU 523 CO -0.02 0.28 -0.15 1.96 -1.00 0.00 0.00 179.01 180.08 3hyf h GLN 524 N 0.00 0.23 -0.52 2.33 4.20 -0.78 -3.34 115.11 117.23 3hyf h GLN 524 Ca -0.00 -0.15 0.09 0.00 0.06 0.00 0.00 58.65 58.65 3hyf h GLN 524 Cb 0.51 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.24 3hyf h GLN 524 CO 0.04 0.74 0.10 -0.07 -0.67 0.00 0.00 178.83 178.96 3hyf h LEU 525 N -0.25 -0.01 -1.59 1.46 3.38 -0.55 -2.37 115.31 115.38 3hyf h LEU 525 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hyf h LEU 525 Cb 0.73 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hyf h LEU 525 CO 0.03 0.02 -0.01 0.16 0.09 0.00 0.00 178.44 178.73 3hyf h ILE 526 N 0.23 0.03 0.00 1.22 3.07 -1.56 -1.47 117.51 119.03 3hyf h ILE 526 Ca 0.26 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 66.18 3hyf h ILE 526 Cb 0.36 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3hyf h ILE 526 CO -0.34 0.01 -0.24 0.29 -1.05 0.00 0.00 178.15 176.82 3hyf n LYS 527 N -3.11 0.13 -1.50 0.16 5.02 -0.90 0.07 118.16 118.03 3hyf n LYS 527 Ca 0.00 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 3hyf n LYS 527 Cb 0.29 -1.62 0.07 0.00 -0.02 0.00 0.00 35.03 33.75 3hyf n LYS 527 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hyf s LYS 528 N -3.06 2.50 -0.10 1.97 -0.14 -0.55 -4.70 119.74 115.65 3hyf s LYS 528 Ca 0.11 1.30 -0.26 0.00 -1.36 0.00 0.00 55.97 55.76 3hyf s LYS 528 Cb 0.16 -1.92 -0.23 0.00 -1.68 0.00 0.00 37.83 34.16 3hyf s LYS 528 CO 0.62 -1.47 0.86 0.93 -0.76 0.00 0.00 175.35 175.53 3hyf h GLU 529 N -0.54 -0.02 -3.42 1.68 4.39 -0.82 0.12 114.58 115.98 3hyf h GLU 529 Ca -0.45 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.04 3hyf h GLU 529 Cb 1.24 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.61 3hyf h GLU 529 CO 0.52 0.77 -0.59 0.15 -1.16 0.00 0.00 179.01 178.70 3hyf s LYS 530 N -2.77 0.12 -0.04 2.33 1.02 -0.95 -4.42 119.74 115.04 3hyf s LYS 530 Ca -0.17 0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.03 3hyf s LYS 530 Cb -0.01 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.32 3hyf s LYS 530 CO 0.64 -0.05 -0.05 0.08 -0.92 0.00 0.00 175.35 175.05 3hyf s VAL 531 N 0.30 0.55 -0.21 3.17 1.01 -1.26 -2.11 120.40 121.85 3hyf s VAL 531 Ca -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3hyf s VAL 531 Cb -0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3hyf s VAL 531 CO -0.01 0.22 -0.00 -0.47 0.00 0.00 0.00 175.10 174.84 3hyf s TYR 532 N 0.76 3.02 -0.17 5.22 5.04 -0.66 -0.59 117.35 129.98 3hyf s TYR 532 Ca -0.10 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 53.97 3hyf s TYR 532 Cb -0.13 -2.10 0.03 0.00 0.35 0.00 0.00 41.96 40.10 3hyf s TYR 532 CO 0.00 -0.32 -0.14 -1.17 -1.34 0.00 0.00 175.55 172.58 3hyf s LEU 533 N 1.16 1.90 0.10 6.97 2.96 -1.26 -0.21 118.68 130.30 3hyf s LEU 533 Ca 0.03 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3hyf s LEU 533 Cb -0.14 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 3hyf s LEU 533 CO 0.01 -0.07 -0.12 0.00 -1.32 0.00 0.00 176.35 174.85 3hyf s ALA 534 N 1.43 1.26 -0.07 5.97 0.00 -0.21 -5.00 121.76 125.14 3hyf s ALA 534 Ca 0.04 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 3hyf s ALA 534 Cb -0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3hyf s ALA 534 CO -0.10 0.03 -0.03 -0.46 0.00 0.00 0.00 175.76 175.20 3hyf s TRP 535 N -2.23 3.07 0.10 0.00 -0.00 -1.26 -0.97 118.94 117.65 3hyf s TRP 535 Ca 0.06 0.12 0.04 0.00 -0.00 0.00 0.00 56.10 56.32 3hyf s TRP 535 Cb -0.04 -1.75 -0.04 0.00 -0.00 0.00 0.00 33.47 31.64 3hyf s TRP 535 CO 0.01 0.42 -0.11 0.14 -0.00 0.00 0.00 176.95 177.40 3hyf s VAL 536 N -0.87 1.04 0.20 5.86 -7.23 -0.22 -4.95 120.40 114.24 3hyf s VAL 536 Ca 0.13 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 3hyf s VAL 536 Cb -0.11 -1.35 -0.08 0.00 0.56 0.00 0.00 36.38 35.40 3hyf s VAL 536 CO 0.02 -0.48 1.15 -2.16 -0.31 0.00 0.00 175.10 173.32 3hyf s PRO 537 N -2.62 4.54 0.48 4.82 0.04 -1.26 -4.10 135.00 136.91 3hyf s PRO 537 Ca 0.05 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 3hyf s PRO 537 Cb -0.04 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 3hyf s PRO 537 CO 0.01 0.01 1.25 0.00 0.04 0.00 0.00 177.00 178.31 3hyf s ALA 538 N -0.32 2.97 -1.37 8.56 0.00 -1.26 -3.77 121.76 126.57 3hyf s ALA 538 Ca 0.50 1.11 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 3hyf s ALA 538 Cb -0.32 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3hyf s ALA 538 CO 0.37 -0.91 1.09 0.72 0.00 0.00 0.00 175.76 177.03 3hyf n HIS 539 N -0.55 -2.61 -1.37 0.00 8.25 -1.26 -4.89 115.22 112.79 3hyf n HIS 539 Ca 0.08 0.97 0.08 0.00 -0.26 0.00 0.00 57.72 58.59 3hyf n HIS 539 Cb 0.46 -4.79 0.13 0.00 1.12 0.00 0.00 29.99 26.91 3hyf n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hyf n LYS 540 N -4.78 1.12 -0.81 -0.41 4.76 -1.25 -4.99 118.16 111.81 3hyf n LYS 540 Ca -0.05 -2.51 0.00 0.00 -2.87 0.00 0.00 58.31 52.89 3hyf n LYS 540 Cb 0.58 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 3hyf n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hyf n GLY 541 N -1.10 0.82 3.67 0.72 0.00 -1.26 -4.99 105.19 103.05 3hyf n GLY 541 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hyf n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyf s ILE 542 N -3.20 3.52 0.10 -0.61 1.01 -1.26 -4.90 121.20 115.86 3hyf s ILE 542 Ca 0.00 0.69 -0.24 0.00 0.00 0.00 0.00 60.65 61.10 3hyf s ILE 542 Cb 0.00 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.91 3hyf s ILE 542 CO 0.00 -0.05 1.70 1.23 0.00 0.00 0.00 174.94 177.82 3hyf h GLY 543 N 9.91 -0.17 1.11 6.18 0.00 -1.99 0.01 103.07 118.11 3hyf h GLY 543 Ca -0.40 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3hyf h GLY 543 CO 0.95 -0.10 0.23 -1.33 0.00 0.00 0.00 176.54 176.29 3hyf h GLY 544 N -0.20 1.20 0.99 4.60 0.00 -1.97 -2.15 103.07 105.54 3hyf h GLY 544 Ca 0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 3hyf h GLY 544 CO -0.05 0.65 0.08 -0.57 0.00 0.00 0.00 176.54 176.66 3hyf h ASN 545 N 1.07 0.79 -0.62 0.19 -0.73 -1.78 -2.00 115.58 112.50 3hyf h ASN 545 Ca 0.24 -0.26 -0.05 0.00 1.87 0.00 0.00 56.30 58.09 3hyf h ASN 545 Cb 0.29 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 3hyf h ASN 545 CO -0.01 0.85 0.19 -0.33 -0.37 0.00 0.00 177.43 177.76 3hyf h GLU 546 N 0.71 1.01 -0.36 6.67 4.39 -0.78 -1.32 114.58 124.89 3hyf h GLU 546 Ca 0.15 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3hyf h GLU 546 Cb 0.39 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3hyf h GLU 546 CO 0.01 0.87 0.08 1.96 -1.16 0.00 0.00 179.01 180.77 3hyf h GLN 547 N 0.97 0.57 -0.06 2.33 4.20 -1.10 -1.71 115.11 120.31 3hyf h GLN 547 Ca 0.21 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 3hyf h GLN 547 Cb 0.30 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3hyf h GLN 547 CO -0.01 0.63 -0.71 -0.24 -0.67 0.00 0.00 178.83 177.84 3hyf h VAL 548 N 0.43 1.40 -0.90 -0.54 3.04 -1.25 -2.55 116.25 115.88 3hyf h VAL 548 Ca 0.11 -2.16 0.01 0.00 -1.01 0.00 0.00 66.70 63.65 3hyf h VAL 548 Cb 0.32 2.13 -0.05 0.00 -2.01 0.00 0.00 31.29 31.68 3hyf h VAL 548 CO 0.00 0.64 0.60 -0.78 -1.01 0.00 0.00 177.57 177.02 3hyf h ASP 549 N 0.21 1.03 -0.87 3.17 1.82 -1.10 -1.58 116.42 119.09 3hyf h ASP 549 Ca -0.02 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.57 3hyf h ASP 549 Cb 1.26 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.97 3hyf h ASP 549 CO 0.11 0.75 0.46 0.50 -1.61 0.00 0.00 179.24 179.45 3hyf h LYS 550 N 1.22 1.23 -0.28 0.28 3.64 -1.11 -1.63 116.57 119.92 3hyf h LYS 550 Ca 0.33 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3hyf h LYS 550 Cb -0.14 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.44 3hyf h LYS 550 CO -0.07 0.92 0.04 -0.07 -2.27 0.00 0.00 179.45 177.99 3hyf h LEU 551 N 1.23 0.46 0.00 5.20 3.38 -0.98 -2.61 115.31 121.99 3hyf h LEU 551 Ca 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hyf h LEU 551 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hyf h LEU 551 CO -0.05 0.61 -0.18 -0.37 0.09 0.00 0.00 178.44 178.54 3hyf h VAL 552 N 0.29 0.00 0.00 1.22 -1.51 -1.22 -3.24 116.25 111.79 3hyf h VAL 552 Ca 0.09 -0.77 -0.07 0.00 -1.23 0.00 0.00 66.70 64.71 3hyf h VAL 552 Cb 0.35 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 3hyf h VAL 552 CO 0.01 0.00 -0.90 0.28 -1.23 0.00 0.00 177.57 175.73 3hyf h SER 553 N 0.00 0.00 -2.27 4.19 0.02 -1.27 -3.40 113.55 110.82 3hyf h SER 553 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3hyf h SER 553 Cb 0.89 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.46 3hyf h SER 553 CO 0.00 0.28 1.00 0.00 -1.14 0.00 0.00 176.83 176.97 3hyf n ALA 554 N -2.25 1.50 -0.92 3.77 0.00 -0.99 -0.21 120.51 121.42 3hyf n ALA 554 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3hyf n ALA 554 Cb 0.67 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3hyf n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyf n GLY 555 N 4.01 0.45 1.13 0.00 0.00 -1.26 -4.75 105.19 104.77 3hyf n GLY 555 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3hyf n GLY 555 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hyf n ILE 556 N -2.35 0.00 -3.72 -0.61 2.08 0.19 -5.01 119.36 109.94 3hyf n ILE 556 Ca 0.00 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.94 3hyf n ILE 556 Cb 0.10 -1.36 -0.12 0.00 -0.75 0.00 0.00 39.64 37.51 3hyf n ILE 556 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3hyf s ARG 557 N -2.00 3.35 0.00 0.38 3.52 0.71 -4.45 118.95 120.46 3hyf s ARG 557 Ca 0.00 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 3hyf s ARG 557 Cb 0.00 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3hyf s ARG 557 CO 0.00 -0.36 0.54 1.63 -0.81 0.00 0.00 175.30 176.30 3hyf n LYS 558 N 4.92 0.00 -4.19 5.12 4.01 -1.26 -4.81 118.16 121.96 3hyf n LYS 558 Ca -0.15 0.36 -0.11 0.00 -0.51 0.00 0.00 58.31 57.90 3hyf n LYS 558 Cb 0.49 -1.04 -0.10 0.00 -0.51 0.00 0.00 35.03 33.88 3hyf n LYS 558 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3hyf s VAL 559 N -1.14 0.80 -2.00 -0.18 -7.23 -1.26 -5.05 120.40 104.34 3hyf s VAL 559 Ca 0.00 -1.94 0.23 0.00 -1.81 0.00 0.00 61.98 58.46 3hyf s VAL 559 Cb 0.00 -1.69 0.65 0.00 0.56 0.00 0.00 36.38 35.90 3hyf s VAL 559 CO 0.00 -0.83 1.74 -0.11 -0.31 0.00 0.00 175.10 175.59