#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhk s GLU 456 N 0.00 2.29 0.48 1.57 -1.05 -1.26 -5.15 118.70 115.58 1xhk s GLU 456 Ca 0.00 -1.69 -0.22 0.00 -0.15 0.00 0.00 54.97 52.90 1xhk s GLU 456 Cb 0.00 -2.08 -0.09 0.00 -0.44 0.00 0.00 34.13 31.52 1xhk s GLU 456 CO 0.00 -0.00 1.02 -0.35 0.95 0.00 0.00 175.26 176.87 1xhk n PRO 457 N -1.19 1.27 -4.13 -4.83 -0.04 -1.26 -4.60 135.00 120.20 1xhk n PRO 457 Ca -0.02 0.46 -0.16 0.00 -0.04 0.00 0.00 63.50 63.74 1xhk n PRO 457 Cb 0.63 -2.12 -0.12 0.00 -0.04 0.00 0.00 33.50 31.85 1xhk n PRO 457 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xhk s LYS 458 N -2.28 0.68 -0.07 0.54 1.02 0.14 -4.75 119.74 115.03 1xhk s LYS 458 Ca 0.67 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 1xhk s LYS 458 Cb -0.50 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1xhk s LYS 458 CO 0.54 0.12 0.57 0.08 -0.92 0.00 0.00 175.35 175.74 1xhk s VAL 459 N -1.25 5.07 0.00 3.17 1.01 -1.26 0.79 120.40 127.93 1xhk s VAL 459 Ca -0.05 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1xhk s VAL 459 Cb -0.10 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1xhk s VAL 459 CO 0.01 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1xhk n GLY 460 N 2.96 0.41 3.25 4.51 0.00 -1.26 -4.87 105.19 110.18 1xhk n GLY 460 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1xhk n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhk s VAL 461 N -1.89 2.19 0.08 1.61 1.01 -1.26 0.70 120.40 122.84 1xhk s VAL 461 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1xhk s VAL 461 Cb 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.57 1xhk s VAL 461 CO 0.00 0.56 0.37 -0.51 0.00 0.00 0.00 175.10 175.51 1xhk s ILE 462 N 0.24 0.07 -0.26 2.22 2.07 0.55 -4.78 121.20 121.31 1xhk s ILE 462 Ca -0.15 -0.61 -0.05 0.00 -1.41 0.00 0.00 60.65 58.43 1xhk s ILE 462 Cb -0.17 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 41.36 1xhk s ILE 462 CO 0.08 -0.34 0.01 -0.31 -1.91 0.00 0.00 174.94 172.47 1xhk s TYR 463 N -3.09 3.06 0.64 3.50 2.02 -1.26 0.21 117.35 122.43 1xhk s TYR 463 Ca -0.01 -1.00 0.04 0.00 -0.37 0.00 0.00 57.07 55.73 1xhk s TYR 463 Cb 0.01 -2.17 0.10 0.00 -0.40 0.00 0.00 41.96 39.50 1xhk s TYR 463 CO -0.07 -0.57 0.88 0.20 -1.57 0.00 0.00 175.55 174.42 1xhk s GLY 464 N 1.48 1.76 -0.07 0.71 0.00 0.43 -1.36 107.32 110.27 1xhk s GLY 464 Ca 0.04 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1xhk s GLY 464 CO -0.00 -1.38 -0.05 1.08 0.00 0.00 0.00 173.10 172.74 1xhk s LEU 465 N -4.89 1.21 0.21 0.66 1.43 -1.17 -1.39 118.68 114.73 1xhk s LEU 465 Ca 0.63 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1xhk s LEU 465 Cb -0.06 -0.59 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1xhk s LEU 465 CO 0.41 -0.08 -0.12 0.00 0.23 0.00 0.00 176.35 176.79 1xhk s ALA 466 N 1.23 1.99 -0.22 4.21 0.00 -0.17 -4.89 121.76 123.91 1xhk s ALA 466 Ca -0.05 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 1xhk s ALA 466 Cb -0.14 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1xhk s ALA 466 CO -0.02 0.02 -0.11 0.14 0.00 0.00 0.00 175.76 175.79 1xhk s VAL 467 N -3.04 2.63 0.12 0.00 -7.23 -1.26 -0.81 120.40 110.81 1xhk s VAL 467 Ca 0.23 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1xhk s VAL 467 Cb 0.01 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1xhk s VAL 467 CO 0.07 0.32 0.11 -0.76 -0.31 0.00 0.00 175.10 174.53 1xhk s LEU 468 N 1.32 3.82 0.31 1.32 1.43 0.85 -4.42 118.68 123.31 1xhk s LEU 468 Ca 0.02 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1xhk s LEU 468 Cb -0.15 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1xhk s LEU 468 CO -0.07 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1xhk n GLY 469 N 0.07 -2.22 0.31 -3.19 0.00 -1.26 -0.54 105.19 98.36 1xhk n GLY 469 Ca -0.08 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.78 1xhk n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhk h ALA 470 N -0.97 1.91 0.00 4.61 0.00 -2.01 -0.56 119.26 122.24 1xhk h ALA 470 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xhk h ALA 470 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xhk h ALA 470 CO 0.03 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1xhk n GLY 471 N -1.52 -1.22 3.29 0.00 0.00 -1.26 -4.93 105.19 99.56 1xhk n GLY 471 Ca 0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1xhk n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhk n GLY 472 N 0.71 -1.15 3.67 -0.02 0.00 -0.22 -4.95 105.19 103.22 1xhk n GLY 472 Ca 0.06 0.57 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 1xhk n GLY 472 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xhk s ILE 473 N -3.38 5.01 0.32 -0.61 -1.09 0.30 -4.65 121.20 117.10 1xhk s ILE 473 Ca 0.44 1.27 -0.28 0.00 -2.23 0.00 0.00 60.65 59.84 1xhk s ILE 473 Cb -0.07 -3.98 -0.09 0.00 -1.58 0.00 0.00 42.46 36.74 1xhk s ILE 473 CO 0.75 0.13 1.11 -0.83 -1.23 0.00 0.00 174.94 174.87 1xhk s GLY 474 N 1.11 2.99 0.06 6.18 0.00 -1.26 -0.11 107.32 116.29 1xhk s GLY 474 Ca 0.31 0.89 -0.27 0.00 0.00 0.00 0.00 44.72 45.65 1xhk s GLY 474 CO 0.12 1.46 0.63 -0.35 0.00 0.00 0.00 173.10 174.95 1xhk s ASP 475 N -1.00 -0.60 0.21 1.64 2.15 0.01 -4.74 116.67 114.33 1xhk s ASP 475 Ca 0.48 0.33 -0.18 0.00 0.43 0.00 0.00 52.55 53.61 1xhk s ASP 475 Cb -0.30 0.57 -0.08 0.00 -0.30 0.00 0.00 42.92 42.80 1xhk s ASP 475 CO 0.39 -0.79 0.69 -0.69 -0.17 0.00 0.00 175.17 174.60 1xhk s VAL 476 N -2.53 4.63 -0.07 1.11 1.01 -1.26 -1.00 120.40 122.29 1xhk s VAL 476 Ca -0.05 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1xhk s VAL 476 Cb -0.01 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1xhk s VAL 476 CO -0.02 0.20 -0.09 -0.89 0.00 0.00 0.00 175.10 174.30 1xhk s THR 477 N -1.52 0.94 -0.06 3.92 2.01 -0.48 -4.91 115.64 115.53 1xhk s THR 477 Ca 0.42 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1xhk s THR 477 Cb -0.16 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1xhk s THR 477 CO 0.20 0.32 0.80 -0.75 -0.69 0.00 0.00 174.62 174.50 1xhk s LYS 478 N 0.97 4.46 -0.11 4.92 2.20 -1.26 -0.43 119.74 130.49 1xhk s LYS 478 Ca -0.09 1.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.60 1xhk s LYS 478 Cb -0.15 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1xhk s LYS 478 CO 0.00 -0.01 -0.22 0.42 -0.36 0.00 0.00 175.35 175.18 1xhk s ILE 479 N 1.01 2.26 -0.09 5.43 1.01 0.13 -1.59 121.20 129.36 1xhk s ILE 479 Ca 0.42 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1xhk s ILE 479 Cb -0.19 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1xhk s ILE 479 CO 0.20 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 174.95 1xhk s ILE 480 N 0.34 1.15 -0.08 2.92 1.01 -0.96 -0.33 121.20 125.26 1xhk s ILE 480 Ca -0.17 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1xhk s ILE 480 Cb -0.18 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 1xhk s ILE 480 CO 0.08 0.37 -0.21 -0.69 0.00 0.00 0.00 174.94 174.49 1xhk s VAL 481 N 1.01 1.78 -0.02 2.92 1.01 0.22 -2.02 120.40 125.30 1xhk s VAL 481 Ca -0.08 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1xhk s VAL 481 Cb -0.15 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1xhk s VAL 481 CO -0.01 0.50 -0.14 -1.10 0.00 0.00 0.00 175.10 174.35 1xhk s GLN 482 N 0.24 1.26 -0.04 2.72 -0.21 -0.13 -4.49 119.66 119.01 1xhk s GLN 482 Ca -0.12 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 54.76 1xhk s GLN 482 Cb -0.16 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.68 1xhk s GLN 482 CO 0.06 0.28 -0.07 0.42 -2.12 0.00 0.00 175.29 173.85 1xhk s ILE 483 N -0.21 0.69 -0.02 1.08 1.01 -1.26 -0.21 121.20 122.28 1xhk s ILE 483 Ca 0.03 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1xhk s ILE 483 Cb -0.07 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.76 1xhk s ILE 483 CO 0.00 0.24 -0.04 -0.76 0.00 0.00 0.00 174.94 174.38 1xhk s LEU 484 N 0.50 1.71 0.51 2.97 1.02 -0.88 -5.00 118.68 119.51 1xhk s LEU 484 Ca -0.08 -0.09 -0.22 0.00 0.02 0.00 0.00 54.13 53.76 1xhk s LEU 484 Cb -0.11 -0.29 -0.06 0.00 0.02 0.00 0.00 46.19 45.74 1xhk s LEU 484 CO 0.01 0.01 1.25 -0.62 0.02 0.00 0.00 176.35 177.02 1xhk n GLU 485 N 3.41 1.61 -3.52 1.70 -0.58 -1.26 -1.26 120.64 120.74 1xhk n GLU 485 Ca -0.18 0.59 -0.14 0.00 -0.42 0.00 0.00 57.16 57.00 1xhk n GLU 485 Cb 0.55 -2.43 -0.05 0.00 -0.57 0.00 0.00 31.44 28.94 1xhk n GLU 485 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xhk s SER 486 N -0.85 -0.55 0.04 1.62 0.15 -0.92 -4.74 113.70 108.45 1xhk s SER 486 Ca 0.69 0.47 0.26 0.00 0.70 0.00 0.00 55.95 58.06 1xhk s SER 486 Cb -0.45 0.48 0.61 0.00 -1.71 0.00 0.00 66.02 64.96 1xhk s SER 486 CO 0.52 -0.61 1.50 0.29 1.20 0.00 0.00 173.24 176.14 1xhk n LYS 487 N 0.56 0.09 -3.21 5.44 5.02 -1.26 -4.07 118.16 120.72 1xhk n LYS 487 Ca -0.16 0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 55.89 1xhk n LYS 487 Cb 0.59 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1xhk n LYS 487 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xhk n ASN 488 N -1.69 4.10 -4.66 4.39 4.13 -1.26 -5.09 115.26 115.18 1xhk n ASN 488 Ca 0.05 -3.55 -0.35 0.00 1.68 0.00 0.00 54.58 52.40 1xhk n ASN 488 Cb 0.37 -0.62 0.10 0.00 -1.54 0.00 0.00 39.78 38.08 1xhk n ASN 488 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1xhk n PRO 489 N 0.37 0.53 -3.83 3.52 -0.04 -1.26 -4.70 135.00 129.59 1xhk n PRO 489 Ca 0.30 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1xhk n PRO 489 Cb 0.40 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1xhk n PRO 489 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xhk n GLY 490 N 0.90 -1.72 3.27 0.55 0.00 -1.04 -4.92 105.19 102.24 1xhk n GLY 490 Ca 0.14 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1xhk n GLY 490 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xhk s THR 491 N -2.73 1.54 -0.22 2.61 -4.23 -1.26 -1.20 115.64 110.15 1xhk s THR 491 Ca 0.00 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 1xhk s THR 491 Cb 0.00 -1.61 0.07 0.00 1.34 0.00 0.00 72.50 72.30 1xhk s THR 491 CO 0.00 -0.32 0.02 -1.00 -0.54 0.00 0.00 174.62 172.78 1xhk s HIS 492 N -1.90 1.50 -0.12 3.99 3.76 -0.08 -4.92 115.29 117.51 1xhk s HIS 492 Ca 0.10 -1.23 -0.03 0.00 -0.15 0.00 0.00 55.06 53.75 1xhk s HIS 492 Cb -0.06 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 1xhk s HIS 492 CO 0.04 -0.69 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.70 1xhk s LEU 493 N 1.70 3.36 -0.23 0.89 1.43 -1.26 -1.59 118.68 122.98 1xhk s LEU 493 Ca -0.01 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1xhk s LEU 493 Cb -0.18 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.32 1xhk s LEU 493 CO -0.10 0.26 -0.04 -0.22 0.23 0.00 0.00 176.35 176.48 1xhk s LEU 494 N -0.16 2.33 -0.93 1.79 0.20 0.01 -4.76 118.68 117.16 1xhk s LEU 494 Ca 0.04 -1.12 -0.00 0.00 0.69 0.00 0.00 54.13 53.73 1xhk s LEU 494 Cb -0.13 -1.08 0.00 0.00 -0.43 0.00 0.00 46.19 44.56 1xhk s LEU 494 CO 0.02 -0.25 0.06 0.59 -0.29 0.00 0.00 176.35 176.49 1xhk n ASN 495 N 4.74 -3.69 -3.69 3.68 3.02 -1.26 -0.02 115.26 118.04 1xhk n ASN 495 Ca -0.11 -0.04 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 1xhk n ASN 495 Cb 0.45 -2.86 -0.12 0.00 -0.61 0.00 0.00 39.78 36.63 1xhk n ASN 495 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1xhk s ILE 496 N -2.62 -0.28 0.85 2.41 2.07 -1.26 -4.13 121.20 118.24 1xhk s ILE 496 Ca 0.03 0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 59.36 1xhk s ILE 496 Cb -0.01 -0.48 0.11 0.00 0.13 0.00 0.00 42.46 42.21 1xhk s ILE 496 CO 0.04 0.08 1.16 -0.94 -1.91 0.00 0.00 174.94 173.37 1xhk s SER 497 N 1.97 3.37 0.20 4.50 1.04 -1.26 -4.83 113.70 118.69 1xhk s SER 497 Ca -0.04 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 58.51 1xhk s SER 497 Cb -0.11 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.58 1xhk s SER 497 CO -0.10 -2.80 1.78 1.23 0.98 0.00 0.00 173.24 174.33 1xhk h GLY 498 N -1.40 1.16 0.95 7.32 0.00 -2.00 -1.92 103.07 107.18 1xhk h GLY 498 Ca -0.44 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.29 1xhk h GLY 498 CO 0.44 0.57 0.05 -0.55 0.00 0.00 0.00 176.54 177.05 1xhk h ASP 499 N 1.05 0.10 -0.67 0.19 3.45 -1.99 0.27 116.42 118.83 1xhk h ASP 499 Ca 0.25 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 1xhk h ASP 499 Cb 0.15 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 1xhk h ASP 499 CO -0.03 0.14 0.37 0.40 -1.57 0.00 0.00 179.24 178.55 1xhk h ILE 500 N 0.06 1.21 0.16 0.35 2.04 -1.91 -1.52 117.51 117.90 1xhk h ILE 500 Ca 0.03 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1xhk h ILE 500 Cb 0.06 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1xhk h ILE 500 CO -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 178.15 178.29 1xhk h ALA 501 N 1.18 -0.22 -0.30 1.87 0.00 -1.10 -0.58 119.26 120.11 1xhk h ALA 501 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xhk h ALA 501 Cb 0.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xhk h ALA 501 CO -0.04 -0.55 0.09 -0.22 0.00 0.00 0.00 179.25 178.53 1xhk h LYS 502 N -0.36 0.21 -0.65 0.00 3.64 -0.33 -0.80 116.57 118.27 1xhk h LYS 502 Ca -0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xhk h LYS 502 Cb 0.28 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1xhk h LYS 502 CO 0.04 0.14 0.27 1.25 -2.27 0.00 0.00 179.45 178.87 1xhk h HIS 503 N 0.21 0.99 -0.46 1.91 2.76 -1.25 -0.87 115.15 118.44 1xhk h HIS 503 Ca 0.14 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1xhk h HIS 503 Cb 0.12 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1xhk h HIS 503 CO -0.15 0.77 0.16 0.77 -1.30 0.00 0.00 177.93 178.19 1xhk h SER 504 N 0.92 0.61 -0.17 3.26 0.02 -0.65 -1.25 113.55 116.28 1xhk h SER 504 Ca 0.22 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1xhk h SER 504 Cb 0.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1xhk h SER 504 CO -0.02 0.57 -0.45 0.40 -1.14 0.00 0.00 176.83 176.20 1xhk h ILE 505 N 0.66 1.34 -0.84 3.27 2.04 -0.71 -0.21 117.51 123.06 1xhk h ILE 505 Ca 0.16 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.35 1xhk h ILE 505 Cb 0.17 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1xhk h ILE 505 CO -0.01 0.52 0.54 0.74 0.00 0.00 0.00 178.15 179.94 1xhk h THR 506 N 0.26 1.15 -0.14 -0.27 2.02 -0.90 0.80 112.91 115.83 1xhk h THR 506 Ca -0.01 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1xhk h THR 506 Cb 1.06 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1xhk h THR 506 CO 0.10 0.19 -0.08 -0.07 0.37 0.00 0.00 175.52 176.03 1xhk h LEU 507 N 1.06 0.30 -1.23 2.58 3.38 -1.14 -2.86 115.31 117.40 1xhk h LEU 507 Ca 0.33 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1xhk h LEU 507 Cb -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1xhk h LEU 507 CO -0.11 0.66 0.16 0.00 0.09 0.00 0.00 178.44 179.25 1xhk h ALA 508 N 0.65 1.39 0.13 1.53 0.00 -0.79 0.16 119.26 122.33 1xhk h ALA 508 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xhk h ALA 508 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xhk h ALA 508 CO 0.02 0.45 -0.06 1.03 0.00 0.00 0.00 179.25 180.69 1xhk h SER 509 N 0.69 -0.15 0.17 0.00 0.87 -0.81 0.59 113.55 114.91 1xhk h SER 509 Ca 0.16 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1xhk h SER 509 Cb 0.18 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1xhk h SER 509 CO -0.01 -0.09 -0.08 0.00 -0.53 0.00 0.00 176.83 176.12 1xhk h ALA 510 N 0.68 -0.22 -0.16 6.23 0.00 -1.25 -3.15 119.26 121.40 1xhk h ALA 510 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1xhk h ALA 510 Cb 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xhk h ALA 510 CO 0.03 -0.39 -0.16 -0.07 0.00 0.00 0.00 179.25 178.66 1xhk h LEU 511 N -0.70 0.24 -0.13 0.00 3.38 -0.74 -0.79 115.31 116.58 1xhk h LEU 511 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xhk h LEU 511 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xhk h LEU 511 CO 0.04 0.43 0.04 0.77 0.09 0.00 0.00 178.44 179.81 1xhk h SER 512 N 0.24 0.19 -0.80 -0.43 4.64 -0.96 -1.28 113.55 115.16 1xhk h SER 512 Ca 0.05 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 1xhk h SER 512 Cb 0.44 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1xhk h SER 512 CO 0.03 0.35 0.40 0.11 -0.87 0.00 0.00 176.83 176.85 1xhk h LYS 513 N 0.02 1.15 0.32 4.77 1.57 -1.46 -2.35 116.57 120.60 1xhk h LYS 513 Ca 0.04 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1xhk h LYS 513 Cb 0.23 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xhk h LYS 513 CO -0.00 0.88 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.38 1xhk h LYS 514 N 1.14 -0.41 -0.25 3.15 3.64 -0.87 -1.20 116.57 121.77 1xhk h LYS 514 Ca 0.28 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1xhk h LYS 514 Cb 0.10 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1xhk h LYS 514 CO -0.04 -0.16 -0.14 -0.07 -2.27 0.00 0.00 179.45 176.76 1xhk h LEU 515 N -0.61 0.42 -0.18 5.20 4.07 -1.22 -0.84 115.31 122.14 1xhk h LEU 515 Ca -0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1xhk h LEU 515 Cb 0.44 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1xhk h LEU 515 CO 0.07 0.59 -0.05 0.58 -1.08 0.00 0.00 178.44 178.55 1xhk h VAL 516 N 0.40 1.29 -0.02 1.22 2.07 -1.41 0.48 116.25 120.28 1xhk h VAL 516 Ca 0.07 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1xhk h VAL 516 Cb 0.49 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1xhk h VAL 516 CO 0.03 0.31 -0.13 0.00 0.02 0.00 0.00 177.57 177.80 1xhk h ALA 517 N 0.72 1.74 -0.20 1.67 0.00 -0.96 -0.70 119.26 121.53 1xhk h ALA 517 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xhk h ALA 517 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xhk h ALA 517 CO 0.02 0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.85 1xhk n GLU 518 N -4.36 1.83 -2.80 0.00 1.02 -0.34 -4.93 120.64 111.05 1xhk n GLU 518 Ca -0.02 -1.25 -0.19 0.00 -0.02 0.00 0.00 57.16 55.68 1xhk n GLU 518 Cb 0.21 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.25 1xhk n GLU 518 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xhk n LYS 519 N 0.48 -3.68 -0.00 3.49 5.02 -0.27 -4.87 118.16 118.33 1xhk n LYS 519 Ca 0.16 0.79 0.10 0.00 -2.02 0.00 0.00 58.31 57.35 1xhk n LYS 519 Cb 0.36 -5.34 -0.14 0.00 -0.02 0.00 0.00 35.03 29.89 1xhk n LYS 519 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xhk n LYS 520 N -3.38 0.34 -3.93 1.97 5.02 0.16 -4.90 118.16 113.44 1xhk n LYS 520 Ca -0.12 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 55.97 1xhk n LYS 520 Cb 0.61 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.99 1xhk n LYS 520 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xhk s LEU 521 N -3.71 2.10 0.75 -0.35 1.43 -1.01 -4.95 118.68 112.94 1xhk s LEU 521 Ca 0.00 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1xhk s LEU 521 Cb 0.15 0.02 0.05 0.00 0.03 0.00 0.00 46.19 46.43 1xhk s LEU 521 CO 0.88 -0.11 1.12 -2.16 0.23 0.00 0.00 176.35 176.31 1xhk s PRO 522 N -0.59 2.25 0.26 1.29 0.04 -1.26 -4.20 135.00 132.79 1xhk s PRO 522 Ca -0.06 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1xhk s PRO 522 Cb -0.04 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1xhk s PRO 522 CO -0.00 -1.67 1.42 -0.51 0.04 0.00 0.00 177.00 176.27 1xhk s LEU 523 N -5.62 4.39 0.60 -3.56 1.43 -1.26 -4.87 118.68 109.79 1xhk s LEU 523 Ca 0.65 2.67 -0.16 0.00 -1.03 0.00 0.00 54.13 56.26 1xhk s LEU 523 Cb -0.20 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1xhk s LEU 523 CO 0.51 -0.68 1.08 -2.16 0.23 0.00 0.00 176.35 175.33 1xhk s PRO 524 N -0.60 3.22 0.03 1.29 0.04 -1.26 -4.94 135.00 132.77 1xhk s PRO 524 Ca 0.58 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 1xhk s PRO 524 Cb -0.41 -2.01 -0.32 0.00 0.04 0.00 0.00 34.50 31.80 1xhk s PRO 524 CO 0.45 -0.91 1.03 -0.22 0.04 0.00 0.00 177.00 177.39 1xhk h LYS 525 N 0.49 0.53 -7.47 4.56 3.64 -1.85 -3.46 116.57 113.01 1xhk h LYS 525 Ca -0.47 -0.80 -0.46 0.00 -1.27 0.00 0.00 60.65 57.65 1xhk h LYS 525 Cb 1.23 0.28 0.11 0.00 -0.41 0.00 0.00 32.23 33.45 1xhk h LYS 525 CO 0.57 1.37 0.28 0.15 -2.27 0.00 0.00 179.45 179.54 1xhk s LYS 526 N -2.76 1.43 -0.06 1.90 1.02 -1.26 -5.00 119.74 115.01 1xhk s LYS 526 Ca -0.10 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 1xhk s LYS 526 Cb 0.04 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 1xhk s LYS 526 CO 0.92 -1.78 1.46 0.34 -0.92 0.00 0.00 175.35 175.37 1xhk s ASP 527 N -4.73 6.80 0.00 2.83 2.15 -1.26 -4.90 116.67 117.57 1xhk s ASP 527 Ca 0.67 2.06 0.17 0.00 0.43 0.00 0.00 52.55 55.88 1xhk s ASP 527 Cb -0.06 -2.55 0.73 0.00 -0.30 0.00 0.00 42.92 40.74 1xhk s ASP 527 CO 0.48 -0.81 1.53 0.00 -0.17 0.00 0.00 175.17 176.20 1xhk n ILE 528 N 5.12 0.81 -2.15 4.11 3.06 -1.26 -4.80 119.36 124.25 1xhk n ILE 528 Ca 0.15 0.20 -0.41 0.00 -2.50 0.00 0.00 62.75 60.19 1xhk n ILE 528 Cb 0.44 -0.92 -0.02 0.00 0.54 0.00 0.00 39.64 39.67 1xhk n ILE 528 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xhk s ASP 529 N -2.94 6.82 -0.01 9.51 2.15 -1.26 -4.93 116.67 126.01 1xhk s ASP 529 Ca 0.09 2.59 0.19 0.00 0.43 0.00 0.00 52.55 55.85 1xhk s ASP 529 Cb 0.11 -2.63 -0.23 0.00 -0.30 0.00 0.00 42.92 39.87 1xhk s ASP 529 CO 0.30 -0.53 0.73 0.18 -0.17 0.00 0.00 175.17 175.68 1xhk n LEU 530 N 1.50 0.71 0.00 -1.34 4.77 -1.26 -4.34 117.00 117.04 1xhk n LEU 530 Ca 0.02 -0.40 0.13 0.00 -0.03 0.00 0.00 56.01 55.74 1xhk n LEU 530 Cb 0.42 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.12 1xhk n LEU 530 CO 0.59 0.18 0.94 0.59 -1.33 0.00 0.00 177.39 178.36 1xhk n ASN 531 N -1.60 0.00 -1.56 -1.43 3.02 -1.26 -3.56 115.26 108.87 1xhk n ASN 531 Ca 0.02 0.38 -0.14 0.00 -0.03 0.00 0.00 54.58 54.82 1xhk n ASN 531 Cb 0.34 -0.46 0.15 0.00 -0.61 0.00 0.00 39.78 39.20 1xhk n ASN 531 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1xhk n ASN 532 N -1.46 3.67 -3.89 6.41 6.94 -1.26 -4.81 115.26 120.85 1xhk n ASN 532 Ca 0.08 -3.78 -0.09 0.00 -0.02 0.00 0.00 54.58 50.78 1xhk n ASN 532 Cb 0.30 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.04 1xhk n ASN 532 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1xhk s LYS 533 N -3.40 1.58 -0.22 -3.83 -2.85 -1.23 -2.16 119.74 107.63 1xhk s LYS 533 Ca 0.49 -1.08 -0.12 0.00 -1.00 0.00 0.00 55.97 54.26 1xhk s LYS 533 Cb 0.43 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.68 1xhk s LYS 533 CO 0.01 -0.68 0.24 -1.21 0.10 0.00 0.00 175.35 173.81 1xhk s GLU 534 N -3.95 4.11 -0.19 1.78 2.02 -0.39 -2.49 118.70 119.60 1xhk s GLU 534 Ca 0.16 -0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.01 1xhk s GLU 534 Cb -0.02 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 1xhk s GLU 534 CO 0.06 0.04 -0.02 0.42 0.02 0.00 0.00 175.26 175.77 1xhk s ILE 535 N 1.11 3.80 -0.26 -1.63 1.01 -0.34 -2.07 121.20 122.82 1xhk s ILE 535 Ca 0.12 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1xhk s ILE 535 Cb -0.14 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 1xhk s ILE 535 CO 0.05 0.45 0.04 -0.31 0.00 0.00 0.00 174.94 175.18 1xhk s TYR 536 N 0.86 3.09 -0.13 3.97 1.51 0.70 -0.90 117.35 126.46 1xhk s TYR 536 Ca -0.00 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 1xhk s TYR 536 Cb -0.14 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.52 1xhk s TYR 536 CO 0.02 -0.53 -0.17 0.42 -1.11 0.00 0.00 175.55 174.18 1xhk s ILE 537 N 1.51 1.68 -0.01 2.71 1.01 -0.62 -0.96 121.20 126.53 1xhk s ILE 537 Ca 0.04 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1xhk s ILE 537 Cb -0.16 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1xhk s ILE 537 CO 0.01 0.48 -0.09 0.00 0.00 0.00 0.00 174.94 175.33 1xhk s GLN 538 N 1.03 0.76 -0.07 2.79 -2.07 -0.86 -0.81 119.66 120.44 1xhk s GLN 538 Ca -0.04 -0.35 0.02 0.00 -1.82 0.00 0.00 55.36 53.17 1xhk s GLN 538 Cb -0.15 -0.73 -0.03 0.00 -1.09 0.00 0.00 33.01 31.02 1xhk s GLN 538 CO -0.04 0.20 -0.12 -0.06 -1.32 0.00 0.00 175.29 173.95 1xhk s PHE 539 N -0.24 2.79 0.56 9.60 2.99 0.98 -2.26 117.98 132.40 1xhk s PHE 539 Ca 0.03 -0.17 0.24 0.00 0.00 0.00 0.00 56.93 57.03 1xhk s PHE 539 Cb -0.04 -1.69 1.60 0.00 0.00 0.00 0.00 43.02 42.90 1xhk s PHE 539 CO -0.00 0.17 2.21 0.66 -0.00 0.00 0.00 175.22 178.26 1xhk h SER 540 N 5.53 0.00 -4.80 1.36 4.64 -1.61 -3.42 113.55 115.26 1xhk h SER 540 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1xhk h SER 540 Cb 1.17 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 1xhk h SER 540 CO 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 1xhk s GLN 541 N -4.81 0.87 0.42 4.77 -2.07 -1.26 -5.01 119.66 112.56 1xhk s GLN 541 Ca -0.05 0.22 -0.24 0.00 -1.82 0.00 0.00 55.36 53.47 1xhk s GLN 541 Cb 0.16 0.40 -0.08 0.00 -1.09 0.00 0.00 33.01 32.40 1xhk s GLN 541 CO 0.60 -0.24 1.11 -1.12 -1.32 0.00 0.00 175.29 174.31 1xhk s SER 542 N -0.95 6.53 0.60 12.60 0.01 -1.26 -4.96 113.70 126.27 1xhk s SER 542 Ca -0.10 2.17 -0.08 0.00 1.31 0.00 0.00 55.95 59.25 1xhk s SER 542 Cb -0.02 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1xhk s SER 542 CO 0.06 -0.66 0.95 -0.31 0.41 0.00 0.00 173.24 173.69 1xhk s TYR 543 N -1.59 3.41 0.71 2.43 2.02 -1.26 -5.02 117.35 118.05 1xhk s TYR 543 Ca 0.60 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 58.08 1xhk s TYR 543 Cb -0.25 -2.72 0.02 0.00 -0.40 0.00 0.00 41.96 38.60 1xhk s TYR 543 CO 0.31 -0.77 1.08 -1.54 -1.57 0.00 0.00 175.55 173.06 1xhk s SER 544 N -4.25 5.04 0.16 2.29 1.04 -1.26 -4.79 113.70 111.92 1xhk s SER 544 Ca 0.54 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.58 1xhk s SER 544 Cb -0.11 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.55 1xhk s SER 544 CO 0.48 -1.67 1.77 0.11 0.98 0.00 0.00 173.24 174.91 1xhk h LYS 545 N -0.66 0.35 0.00 4.02 1.57 -1.96 0.02 116.57 119.91 1xhk h LYS 545 Ca -0.44 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1xhk h LYS 545 Cb 1.22 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1xhk h LYS 545 CO 0.54 0.23 -0.12 -0.84 -0.57 0.00 0.00 179.45 178.69 1xhk h ILE 546 N 0.36 0.27 0.00 1.86 -0.00 -1.99 -3.12 117.51 114.88 1xhk h ILE 546 Ca 0.16 -0.95 0.00 0.00 -0.00 0.00 0.00 64.86 64.07 1xhk h ILE 546 Cb 0.09 1.76 0.00 0.00 -0.00 0.00 0.00 36.82 38.67 1xhk h ILE 546 CO -0.13 0.12 -1.17 -0.67 -0.00 0.00 0.00 178.15 176.30 1xhk n ASP 547 N -3.21 0.67 -0.31 2.16 4.64 -1.05 -4.62 116.55 114.81 1xhk n ASP 547 Ca 0.01 -0.54 0.17 0.00 -1.38 0.00 0.00 54.79 53.05 1xhk n ASP 547 Cb 0.42 1.08 0.35 0.00 -1.04 0.00 0.00 41.12 41.94 1xhk n ASP 547 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1xhk h GLY 548 N 4.68 1.59 1.98 0.27 0.00 -0.93 -1.14 103.07 109.52 1xhk h GLY 548 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1xhk h GLY 548 CO 0.00 -0.43 0.01 -0.55 0.00 0.00 0.00 176.54 175.57 1xhk h ASP 549 N 0.23 0.00 0.12 0.19 3.32 -1.82 -1.60 116.42 116.86 1xhk h ASP 549 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1xhk h ASP 549 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1xhk h ASP 549 CO -0.66 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.32 1xhk n SER 550 N -3.22 0.00 -0.18 6.45 3.41 -0.43 -2.20 113.62 117.45 1xhk n SER 550 Ca -0.03 -0.39 0.11 0.00 -0.26 0.00 0.00 58.87 58.31 1xhk n SER 550 Cb 0.08 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.01 1xhk n SER 550 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xhk n ALA 551 N -1.10 3.88 -0.24 7.33 0.00 -0.60 -1.68 120.51 128.11 1xhk n ALA 551 Ca 0.13 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 53.04 1xhk n ALA 551 Cb 0.10 -0.91 0.12 0.00 0.00 0.00 0.00 19.45 18.75 1xhk n ALA 551 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xhk h THR 552 N 0.89 0.92 -0.42 0.00 1.35 -1.54 -1.18 112.91 112.94 1xhk h THR 552 Ca 0.00 -0.23 0.03 0.00 -0.55 0.00 0.00 66.41 65.66 1xhk h THR 552 Cb 0.57 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.16 1xhk h THR 552 CO 0.00 0.12 0.21 0.00 -0.25 0.00 0.00 175.52 175.60 1xhk h ALA 553 N 1.38 0.52 -0.52 6.62 0.00 -1.44 0.28 119.26 126.10 1xhk h ALA 553 Ca 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1xhk h ALA 553 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xhk h ALA 553 CO -0.22 -0.14 0.29 0.00 0.00 0.00 0.00 179.25 179.19 1xhk h ALA 554 N 1.22 0.66 -0.62 0.00 0.00 -1.62 -0.90 119.26 118.00 1xhk h ALA 554 Ca 0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xhk h ALA 554 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xhk h ALA 554 CO -0.12 0.17 0.11 0.28 0.00 0.00 0.00 179.25 179.70 1xhk h VAL 555 N 0.69 1.25 -0.36 0.00 2.07 -0.84 -1.00 116.25 118.07 1xhk h VAL 555 Ca 0.18 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1xhk h VAL 555 Cb 0.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1xhk h VAL 555 CO -0.03 0.36 0.07 0.00 0.02 0.00 0.00 177.57 177.99 1xhk h LEU 557 N 0.43 0.84 -0.55 0.00 3.38 -0.96 0.90 115.31 119.35 1xhk h LEU 557 Ca 0.11 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1xhk h LEU 557 Cb 0.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xhk h LEU 557 CO 0.01 0.74 -0.43 0.00 0.09 0.00 0.00 178.44 178.84 1xhk h ALA 558 N 1.39 0.73 -0.10 1.53 0.00 -0.92 0.85 119.26 122.74 1xhk h ALA 558 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xhk h ALA 558 Cb 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xhk h ALA 558 CO -0.02 0.66 -0.03 0.82 0.00 0.00 0.00 179.25 180.69 1xhk h ILE 559 N 0.55 1.29 -0.82 0.00 2.04 -0.66 -1.74 117.51 118.17 1xhk h ILE 559 Ca 0.04 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1xhk h ILE 559 Cb 0.97 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 1xhk h ILE 559 CO 0.09 0.27 0.52 0.40 0.00 0.00 0.00 178.15 179.43 1xhk h ILE 560 N -0.14 1.12 -0.55 -0.67 2.04 -0.76 0.34 117.51 118.89 1xhk h ILE 560 Ca 0.02 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1xhk h ILE 560 Cb 0.44 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1xhk h ILE 560 CO 0.01 0.19 0.32 -1.28 0.00 0.00 0.00 178.15 177.38 1xhk h SER 561 N 1.02 0.67 -0.12 1.72 0.87 -0.70 -0.45 113.55 116.55 1xhk h SER 561 Ca 0.33 -0.07 -0.20 0.00 -1.23 0.00 0.00 61.79 60.61 1xhk h SER 561 Cb 0.02 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1xhk h SER 561 CO -0.12 0.55 -0.71 0.00 -0.53 0.00 0.00 176.83 176.03 1xhk h ALA 562 N 1.15 0.25 -0.37 6.23 0.00 -0.88 -0.23 119.26 125.41 1xhk h ALA 562 Ca 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xhk h ALA 562 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xhk h ALA 562 CO -0.03 0.58 0.24 1.25 0.00 0.00 0.00 179.25 181.29 1xhk h LEU 563 N 0.39 0.42 -1.89 0.00 5.85 -0.18 -2.72 115.31 117.18 1xhk h LEU 563 Ca -0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1xhk h LEU 563 Cb 1.35 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1xhk h LEU 563 CO 0.15 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.73 1xhk n LEU 564 N -4.83 2.82 -4.02 2.25 4.32 -0.19 -4.61 117.00 112.74 1xhk n LEU 564 Ca -0.00 -1.23 -0.27 0.00 -0.02 0.00 0.00 56.01 54.49 1xhk n LEU 564 Cb 0.03 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 41.57 1xhk n LEU 564 CO 0.34 0.61 -0.28 0.47 -1.22 0.00 0.00 177.39 177.32 1xhk n ASP 565 N 1.08 -0.27 -4.38 -1.43 10.43 -0.25 -4.64 116.55 117.09 1xhk n ASP 565 Ca 0.18 -1.07 -0.33 0.00 2.57 0.00 0.00 54.79 56.14 1xhk n ASP 565 Cb 0.50 -2.74 -0.14 0.00 1.84 0.00 0.00 41.12 40.59 1xhk n ASP 565 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1xhk s ILE 566 N -4.03 3.23 0.34 0.53 1.01 -0.34 -5.03 121.20 116.91 1xhk s ILE 566 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 1xhk s ILE 566 Cb -0.01 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.97 1xhk s ILE 566 CO 0.91 0.50 1.39 -2.16 0.00 0.00 0.00 174.94 175.58 1xhk s PRO 567 N 0.55 4.26 -0.18 2.79 0.04 -1.26 -4.60 135.00 136.60 1xhk s PRO 567 Ca -0.07 2.35 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 1xhk s PRO 567 Cb -0.15 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1xhk s PRO 567 CO 0.03 -0.34 0.07 -1.17 0.04 0.00 0.00 177.00 175.63 1xhk s LEU 568 N -1.69 3.87 0.67 -3.56 2.96 0.24 -2.13 118.68 119.04 1xhk s LEU 568 Ca 0.52 0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.37 1xhk s LEU 568 Cb -0.42 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1xhk s LEU 568 CO 0.55 0.19 1.27 -0.54 -1.32 0.00 0.00 176.35 176.50 1xhk s LYS 569 N 0.30 2.43 -0.07 1.98 1.02 -0.09 -0.68 119.74 124.63 1xhk s LYS 569 Ca 0.04 1.98 0.12 0.00 0.02 0.00 0.00 55.97 58.13 1xhk s LYS 569 Cb -0.12 -1.84 0.31 0.00 -0.52 0.00 0.00 37.83 35.66 1xhk s LYS 569 CO -0.00 -1.67 1.24 1.04 -0.92 0.00 0.00 175.35 175.04 1xhk n GLN 570 N -2.13 2.66 -1.06 1.68 1.13 -1.26 -4.63 117.38 113.78 1xhk n GLN 570 Ca 0.15 -2.26 -0.10 0.00 -1.94 0.00 0.00 57.00 52.85 1xhk n GLN 570 Cb 0.49 -1.42 0.27 0.00 0.11 0.00 0.00 30.24 29.69 1xhk n GLN 570 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xhk n ASP 571 N -0.30 4.57 -3.68 1.08 3.85 -1.26 -4.82 116.55 115.99 1xhk n ASP 571 Ca 0.13 -3.27 -0.10 0.00 -0.71 0.00 0.00 54.79 50.83 1xhk n ASP 571 Cb 0.56 -0.77 -0.05 0.00 -1.35 0.00 0.00 41.12 39.52 1xhk n ASP 571 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 1xhk s PHE 572 N -2.99 -0.14 0.18 2.11 -0.71 -1.26 -2.25 117.98 112.92 1xhk s PHE 572 Ca 0.54 -0.19 0.07 0.00 -1.04 0.00 0.00 56.93 56.31 1xhk s PHE 572 Cb 0.44 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 42.47 1xhk s PHE 572 CO 0.13 -0.75 -0.14 0.00 -1.34 0.00 0.00 175.22 173.12 1xhk s ALA 573 N -3.83 1.82 0.01 1.99 0.00 -0.86 -4.48 121.76 116.41 1xhk s ALA 573 Ca 0.05 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.38 1xhk s ALA 573 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1xhk s ALA 573 CO -0.09 0.06 0.17 -1.50 0.00 0.00 0.00 175.76 174.40 1xhk s ILE 574 N -2.80 0.09 -0.00 0.00 2.07 -0.46 -1.21 121.20 118.89 1xhk s ILE 574 Ca 0.18 -0.74 -0.01 0.00 -1.41 0.00 0.00 60.65 58.68 1xhk s ILE 574 Cb -0.01 -0.60 -0.00 0.00 0.13 0.00 0.00 42.46 41.97 1xhk s ILE 574 CO 0.05 -0.40 0.02 0.28 -1.91 0.00 0.00 174.94 172.97 1xhk s THR 575 N -1.73 0.03 0.00 4.00 -1.32 -0.77 -3.06 115.64 112.78 1xhk s THR 575 Ca -0.12 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1xhk s THR 575 Cb -0.05 -0.10 0.00 0.00 -1.51 0.00 0.00 72.50 70.84 1xhk s THR 575 CO 0.00 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1xhk n GLY 576 N 2.70 3.93 2.09 6.08 0.00 -0.67 -3.97 105.19 115.35 1xhk n GLY 576 Ca -0.15 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 1xhk n GLY 576 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xhk n SER 577 N 0.00 2.33 -3.87 1.61 2.88 -0.97 -1.32 113.62 114.28 1xhk n SER 577 Ca 0.00 -2.14 -0.09 0.00 -1.33 0.00 0.00 58.87 55.30 1xhk n SER 577 Cb 0.00 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 1xhk n SER 577 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xhk s LEU 578 N 0.00 1.49 0.37 2.46 1.43 -1.26 -0.55 118.68 122.61 1xhk s LEU 578 Ca 0.10 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1xhk s LEU 578 Cb -0.01 0.93 -0.07 0.00 0.03 0.00 0.00 46.19 47.07 1xhk s LEU 578 CO 0.06 -0.64 -0.01 1.51 0.23 0.00 0.00 176.35 177.50 1xhk s ASP 579 N -2.49 3.93 0.66 2.29 1.47 -0.94 -4.86 116.67 116.72 1xhk s ASP 579 Ca 0.00 -1.21 0.29 0.00 1.18 0.00 0.00 52.55 52.81 1xhk s ASP 579 Cb 0.02 -0.41 1.57 0.00 -0.34 0.00 0.00 42.92 43.76 1xhk s ASP 579 CO -0.08 -0.33 1.89 -0.07 0.68 0.00 0.00 175.17 177.27 1xhk h LEU 580 N 1.84 0.00 0.00 2.11 3.38 -1.95 0.89 115.31 121.58 1xhk h LEU 580 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xhk h LEU 580 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xhk h LEU 580 CO 0.73 0.00 -0.31 -1.20 0.09 0.00 0.00 178.44 177.75 1xhk n SER 581 N -2.96 0.59 0.00 -0.43 7.64 -1.26 -4.77 113.62 112.43 1xhk n SER 581 Ca -0.01 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1xhk n SER 581 Cb 0.42 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1xhk n SER 581 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xhk n GLY 582 N 1.38 0.72 3.76 0.23 0.00 0.31 -4.96 105.19 106.63 1xhk n GLY 582 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1xhk n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xhk s ASN 583 N -2.54 7.17 -0.15 1.61 0.01 -1.26 0.27 114.94 120.05 1xhk s ASN 583 Ca 0.00 2.33 -0.23 0.00 -0.71 0.00 0.00 52.86 54.25 1xhk s ASN 583 Cb 0.00 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1xhk s ASN 583 CO 0.00 -0.23 0.73 -0.69 -1.51 0.00 0.00 177.10 175.40 1xhk s VAL 584 N -1.03 4.97 0.17 1.60 1.01 0.11 -2.22 120.40 125.01 1xhk s VAL 584 Ca 0.46 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 1xhk s VAL 584 Cb -0.33 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1xhk s VAL 584 CO 0.42 0.12 0.41 -0.76 0.00 0.00 0.00 175.10 175.29 1xhk s LEU 585 N 1.70 4.23 0.79 3.92 1.43 0.28 -4.79 118.68 126.24 1xhk s LEU 585 Ca 0.35 0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 53.89 1xhk s LEU 585 Cb -0.17 -3.33 0.08 0.00 0.03 0.00 0.00 46.19 42.80 1xhk s LEU 585 CO 0.13 0.00 1.21 0.00 0.23 0.00 0.00 176.35 177.92 1xhk s ALA 586 N -1.75 1.88 0.26 4.21 0.00 -1.26 -2.28 121.76 122.82 1xhk s ALA 586 Ca 0.41 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.25 1xhk s ALA 586 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1xhk s ALA 586 CO 0.26 -2.23 0.15 0.96 0.00 0.00 0.00 175.76 174.90 1xhk s ILE 587 N -2.11 0.21 0.22 0.00 -5.25 -1.26 -4.60 121.20 108.42 1xhk s ILE 587 Ca 0.74 -2.00 0.08 0.00 -0.99 0.00 0.00 60.65 58.47 1xhk s ILE 587 Cb -0.29 -2.53 -0.04 0.00 2.95 0.00 0.00 42.46 42.55 1xhk s ILE 587 CO 0.50 0.00 0.05 -0.83 -1.79 0.00 0.00 174.94 172.87 1xhk s GLY 588 N -3.29 1.64 -0.89 6.27 0.00 -1.26 -4.69 107.32 105.09 1xhk s GLY 588 Ca 0.38 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1xhk s GLY 588 CO 0.16 -1.49 0.39 0.61 0.00 0.00 0.00 173.10 172.77 1xhk n GLY 589 N -0.61 -0.01 0.30 0.20 0.00 -1.26 -4.94 105.19 98.88 1xhk n GLY 589 Ca -0.08 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.71 1xhk n GLY 589 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xhk h VAL 590 N -0.90 1.18 -0.34 1.61 3.04 -1.96 -1.86 116.25 117.02 1xhk h VAL 590 Ca -0.31 -0.53 -0.16 0.00 -1.01 0.00 0.00 66.70 64.69 1xhk h VAL 590 Cb 1.21 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1xhk h VAL 590 CO 0.33 0.21 -0.41 0.78 -1.01 0.00 0.00 177.57 177.47 1xhk h ASN 591 N 0.69 0.95 -0.38 3.17 2.35 -1.92 0.08 115.58 120.52 1xhk h ASN 591 Ca 0.17 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1xhk h ASN 591 Cb 0.12 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1xhk h ASN 591 CO -0.02 1.25 0.01 -0.33 -1.65 0.00 0.00 177.43 176.69 1xhk h GLU 592 N 0.68 0.75 -0.27 0.81 3.07 -1.91 -1.56 114.58 116.15 1xhk h GLU 592 Ca 0.04 -0.19 -0.18 0.00 -0.50 0.00 0.00 59.36 58.53 1xhk h GLU 592 Cb 1.01 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1xhk h GLU 592 CO 0.10 0.75 -0.54 0.87 -1.40 0.00 0.00 179.01 178.79 1xhk h LYS 593 N 0.70 0.85 -0.31 2.33 1.57 -1.17 -2.38 116.57 118.17 1xhk h LYS 593 Ca 0.14 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1xhk h LYS 593 Cb 0.41 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1xhk h LYS 593 CO 0.02 1.18 0.16 0.82 -0.57 0.00 0.00 179.45 181.06 1xhk h ILE 594 N 0.62 1.14 -0.67 1.86 2.04 -0.75 -1.95 117.51 119.79 1xhk h ILE 594 Ca 0.01 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xhk h ILE 594 Cb 1.15 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1xhk h ILE 594 CO 0.12 0.14 0.42 -0.33 0.00 0.00 0.00 178.15 178.49 1xhk h GLU 595 N 0.37 0.90 -0.64 2.37 4.39 -1.25 -1.47 114.58 119.26 1xhk h GLU 595 Ca 0.11 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1xhk h GLU 595 Cb 0.08 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1xhk h GLU 595 CO -0.02 0.63 0.06 0.00 -1.16 0.00 0.00 179.01 178.52 1xhk h ALA 596 N 1.54 0.85 -0.53 3.43 0.00 -1.08 -0.43 119.26 123.03 1xhk h ALA 596 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xhk h ALA 596 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1xhk h ALA 596 CO -0.05 0.65 0.29 0.00 0.00 0.00 0.00 179.25 180.15 1xhk h ALA 597 N 1.02 0.68 -0.87 0.00 0.00 -0.72 -2.28 119.26 117.10 1xhk h ALA 597 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xhk h ALA 597 Cb 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1xhk h ALA 597 CO 0.02 0.20 0.45 0.87 0.00 0.00 0.00 179.25 180.80 1xhk h LYS 598 N 0.72 1.22 -0.70 0.00 1.57 -0.95 -2.19 116.57 116.23 1xhk h LYS 598 Ca 0.19 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xhk h LYS 598 Cb 0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1xhk h LYS 598 CO -0.03 0.91 0.44 -0.09 -0.57 0.00 0.00 179.45 180.12 1xhk h ARG 599 N 1.22 0.94 -0.03 3.15 2.43 -0.54 -1.20 114.38 120.35 1xhk h ARG 599 Ca 0.30 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1xhk h ARG 599 Cb 0.06 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1xhk h ARG 599 CO -0.04 0.64 0.00 0.66 -1.51 0.00 0.00 179.97 179.72 1xhk n TYR 600 N -4.41 0.03 -1.15 2.20 4.02 -0.91 -4.92 117.16 112.01 1xhk n TYR 600 Ca 0.07 -0.02 -0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1xhk n TYR 600 Cb 0.05 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1xhk n TYR 600 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xhk n GLY 601 N 1.03 0.38 3.76 2.72 0.00 -0.45 -5.00 105.19 107.62 1xhk n GLY 601 Ca 0.19 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1xhk n GLY 601 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhk s PHE 602 N -2.00 3.31 0.20 1.61 0.40 -0.86 -4.92 117.98 115.72 1xhk s PHE 602 Ca 0.00 1.47 0.15 0.00 -0.60 0.00 0.00 56.93 57.95 1xhk s PHE 602 Cb 0.00 -3.51 0.51 0.00 0.51 0.00 0.00 43.02 40.53 1xhk s PHE 602 CO 0.00 -1.36 1.66 0.87 0.70 0.00 0.00 175.22 177.09 1xhk h LYS 603 N 4.14 0.00 -3.95 0.44 1.57 -1.88 -3.43 116.57 113.46 1xhk h LYS 603 Ca -0.47 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.16 1xhk h LYS 603 Cb 1.22 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.34 1xhk h LYS 603 CO 0.69 0.49 -0.64 1.03 -0.57 0.00 0.00 179.45 180.46 1xhk s ARG 604 N -3.58 0.44 -0.04 3.15 0.52 -0.95 -1.74 118.95 116.75 1xhk s ARG 604 Ca -0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1xhk s ARG 604 Cb 0.12 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.77 1xhk s ARG 604 CO 0.72 -0.09 -0.03 0.54 0.02 0.00 0.00 175.30 176.47 1xhk s VAL 605 N -2.15 0.41 -0.18 3.52 0.11 -0.31 -2.02 120.40 119.78 1xhk s VAL 605 Ca -0.09 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 1xhk s VAL 605 Cb -0.05 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1xhk s VAL 605 CO -0.03 0.20 0.05 -0.63 -3.33 0.00 0.00 175.10 171.36 1xhk s ILE 606 N 1.03 4.73 0.15 7.04 1.01 -0.35 -1.00 121.20 133.82 1xhk s ILE 606 Ca -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1xhk s ILE 606 Cb -0.14 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1xhk s ILE 606 CO -0.01 0.47 0.01 0.27 0.00 0.00 0.00 174.94 175.69 1xhk s ILE 607 N 0.30 0.51 0.21 2.92 -4.36 -0.77 -1.85 121.20 118.16 1xhk s ILE 607 Ca 0.03 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 1xhk s ILE 607 Cb -0.12 -2.06 -0.09 0.00 1.25 0.00 0.00 42.46 41.44 1xhk s ILE 607 CO 0.00 -0.51 1.30 -2.84 0.24 0.00 0.00 174.94 173.14 1xhk s PRO 608 N -3.95 4.39 0.43 0.37 0.02 -1.25 -1.20 135.00 133.81 1xhk s PRO 608 Ca 0.23 2.06 0.17 0.00 0.02 0.00 0.00 61.00 63.48 1xhk s PRO 608 Cb 0.06 -3.18 1.09 0.00 0.02 0.00 0.00 34.50 32.50 1xhk s PRO 608 CO 0.02 -0.23 1.89 1.49 -0.33 0.00 0.00 177.00 179.84 1xhk h GLU 609 N 5.15 0.37 -0.03 5.54 4.57 -1.27 0.38 114.58 129.30 1xhk h GLU 609 Ca -0.45 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1xhk h GLU 609 Cb 1.22 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1xhk h GLU 609 CO 0.76 0.25 0.07 0.00 -1.18 0.00 0.00 179.01 178.90 1xhk h ALA 610 N 1.63 1.29 -2.26 2.92 0.00 -1.88 -3.40 119.26 117.55 1xhk h ALA 610 Ca 0.41 -0.00 -0.80 0.00 0.00 0.00 0.00 54.91 54.52 1xhk h ALA 610 Cb 1.03 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.55 1xhk h ALA 610 CO -0.14 -0.08 0.62 0.09 0.00 0.00 0.00 179.25 179.74 1xhk n ASN 611 N -3.36 5.90 0.00 0.00 3.02 0.13 -4.77 115.26 116.18 1xhk n ASN 611 Ca -0.02 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1xhk n ASN 611 Cb 0.15 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 1xhk n ASN 611 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xhk n ILE 613 N 2.14 0.00 0.18 2.41 3.06 -1.26 -2.79 119.36 123.10 1xhk n ILE 613 Ca 0.25 0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.57 1xhk n ILE 613 Cb 0.37 0.00 0.16 0.00 0.54 0.00 0.00 39.64 40.70 1xhk n ILE 613 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1xhk h ASP 614 N 0.00 0.00 -2.54 9.51 3.32 -1.95 -3.46 116.42 121.29 1xhk h ASP 614 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1xhk h ASP 614 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1xhk h ASP 614 CO 0.00 0.31 1.11 -0.69 -1.72 0.00 0.00 179.24 178.25 1xhk s VAL 615 N -3.17 2.89 -0.33 -1.35 1.01 -1.12 -4.82 120.40 113.50 1xhk s VAL 615 Ca 0.04 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 1xhk s VAL 615 Cb 0.07 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1xhk s VAL 615 CO 0.70 -0.01 0.95 -0.63 0.00 0.00 0.00 175.10 176.11 1xhk s ILE 616 N 3.24 4.61 -0.29 2.22 1.01 -1.26 -4.93 121.20 125.80 1xhk s ILE 616 Ca 0.80 1.40 -0.38 0.00 0.00 0.00 0.00 60.65 62.46 1xhk s ILE 616 Cb -0.42 -4.32 -0.17 0.00 0.01 0.00 0.00 42.46 37.56 1xhk s ILE 616 CO 0.36 -0.44 1.23 1.21 0.00 0.00 0.00 174.94 177.29 1xhk n GLU 617 N 6.67 0.00 -3.53 2.79 2.13 -1.26 -4.91 120.64 122.52 1xhk n GLU 617 Ca 0.08 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 1xhk n GLU 617 Cb 0.48 -1.28 -0.04 0.00 0.27 0.00 0.00 31.44 30.87 1xhk n GLU 617 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1xhk s THR 618 N 1.75 0.03 0.16 6.31 -1.32 -1.26 -5.18 115.64 116.13 1xhk s THR 618 Ca 0.86 -0.25 0.01 0.00 -1.21 0.00 0.00 61.69 61.09 1xhk s THR 618 Cb -1.22 -1.05 -0.00 0.00 -1.51 0.00 0.00 72.50 68.72 1xhk s THR 618 CO 0.63 -0.14 0.02 -1.84 -2.21 0.00 0.00 174.62 171.08 1xhk n GLU 619 N -0.09 1.27 -0.26 7.08 0.28 -1.26 -4.84 120.64 122.82 1xhk n GLU 619 Ca -0.17 -1.26 0.00 0.00 -0.16 0.00 0.00 57.16 55.57 1xhk n GLU 619 Cb 0.63 0.47 0.00 0.00 1.43 0.00 0.00 31.44 33.97 1xhk n GLU 619 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xhk n GLY 620 N 2.23 0.67 3.53 -1.84 0.00 -1.26 -5.03 105.19 103.50 1xhk n GLY 620 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1xhk n GLY 620 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xhk s ILE 621 N -2.44 0.00 -0.38 -0.61 2.07 -1.26 -4.93 121.20 113.65 1xhk s ILE 621 Ca 0.00 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.03 1xhk s ILE 621 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1xhk s ILE 621 CO 0.00 0.00 0.66 -0.70 -1.91 0.00 0.00 174.94 172.99 1xhk s GLU 622 N -1.89 3.59 -0.28 3.50 2.12 -0.71 -4.99 118.70 120.04 1xhk s GLU 622 Ca -0.02 -0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.10 1xhk s GLU 622 Cb -0.01 -3.85 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 1xhk s GLU 622 CO -0.01 -0.83 0.57 0.42 -0.54 0.00 0.00 175.26 174.88 1xhk s ILE 623 N 2.81 5.01 -0.28 -3.70 1.01 -1.26 -1.17 121.20 123.62 1xhk s ILE 623 Ca 0.25 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.81 1xhk s ILE 623 Cb -0.14 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.48 1xhk s ILE 623 CO 0.16 -0.01 -0.06 -0.63 0.00 0.00 0.00 174.94 174.40 1xhk s ILE 624 N 2.45 2.37 0.24 2.92 1.01 -0.17 -4.99 121.20 125.04 1xhk s ILE 624 Ca 0.23 -1.68 -0.29 0.00 0.00 0.00 0.00 60.65 58.91 1xhk s ILE 624 Cb -0.15 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 1xhk s ILE 624 CO 0.10 -0.13 0.92 -2.16 0.00 0.00 0.00 174.94 173.67 1xhk s PRO 625 N 1.11 4.78 0.01 2.79 0.04 -1.26 -1.85 135.00 140.62 1xhk s PRO 625 Ca -0.05 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1xhk s PRO 625 Cb -0.20 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1xhk s PRO 625 CO -0.05 0.50 -0.08 0.14 0.04 0.00 0.00 177.00 177.55 1xhk s VAL 626 N -1.23 0.58 -0.31 -0.36 -7.23 -0.34 -4.79 120.40 106.72 1xhk s VAL 626 Ca 0.41 -0.57 0.11 0.00 -1.81 0.00 0.00 61.98 60.12 1xhk s VAL 626 Cb -0.25 -0.54 -0.14 0.00 0.56 0.00 0.00 36.38 36.01 1xhk s VAL 626 CO 0.30 -0.02 0.38 2.29 -0.31 0.00 0.00 175.10 177.74 1xhk n LYS 627 N 2.41 2.18 -3.93 4.82 2.85 -1.26 -0.79 118.16 124.45 1xhk n LYS 627 Ca -0.16 -0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 56.97 1xhk n LYS 627 Cb 0.57 -1.11 -0.09 0.00 -0.65 0.00 0.00 35.03 33.74 1xhk n LYS 627 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1xhk s THR 628 N -2.33 0.15 0.51 0.58 -4.23 -1.26 -0.72 115.64 108.34 1xhk s THR 628 Ca 0.01 -1.20 0.20 0.00 -1.18 0.00 0.00 61.69 59.52 1xhk s THR 628 Cb 0.08 -1.10 0.28 0.00 1.34 0.00 0.00 72.50 73.09 1xhk s THR 628 CO 0.45 -0.66 2.14 0.25 -0.54 0.00 0.00 174.62 176.26 1xhk h LEU 629 N 3.34 0.00 -0.85 4.79 5.85 -0.50 -0.87 115.31 127.07 1xhk h LEU 629 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xhk h LEU 629 Cb 1.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1xhk h LEU 629 CO 0.54 0.05 0.55 0.44 -0.34 0.00 0.00 178.44 179.68 1xhk h ASP 630 N 0.00 0.99 0.79 1.25 5.19 -1.95 -1.52 116.42 121.17 1xhk h ASP 630 Ca -0.00 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.25 1xhk h ASP 630 Cb 0.11 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1xhk h ASP 630 CO 0.01 0.73 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.96 1xhk h GLU 631 N 1.15 0.00 -0.03 3.56 5.08 -1.56 -3.29 114.58 119.50 1xhk h GLU 631 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1xhk h GLU 631 Cb -0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xhk h GLU 631 CO -0.06 0.57 -0.03 0.82 -1.00 0.00 0.00 179.01 179.30 1xhk h ILE 632 N 0.00 1.40 -0.81 3.13 2.04 -0.98 -3.37 117.51 118.92 1xhk h ILE 632 Ca -0.01 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 64.70 1xhk h ILE 632 Cb 1.12 2.17 -0.10 0.00 -0.74 0.00 0.00 36.82 39.27 1xhk h ILE 632 CO 0.07 0.33 -0.47 0.52 0.00 0.00 0.00 178.15 178.61 1xhk n VAL 633 N -4.79 -0.54 0.26 1.67 0.31 -0.63 0.58 118.33 115.19 1xhk n VAL 633 Ca -0.08 1.96 0.14 0.00 -0.01 0.00 0.00 64.34 66.35 1xhk n VAL 633 Cb 0.28 -2.44 0.69 0.00 -0.91 0.00 0.00 33.84 31.46 1xhk n VAL 633 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xhk h PRO 634 N 0.00 0.00 0.08 5.55 0.11 -1.76 -0.94 132.00 135.04 1xhk h PRO 634 Ca 0.14 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.93 1xhk h PRO 634 Cb 0.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 1xhk h PRO 634 CO -0.77 0.00 -1.77 -0.07 -0.21 0.00 0.00 178.00 175.19 1xhk h LEU 635 N 0.00 0.25 0.00 2.35 3.38 -0.02 -3.41 115.31 117.86 1xhk h LEU 635 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1xhk h LEU 635 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xhk h LEU 635 CO 0.00 1.43 -1.62 1.33 0.09 0.00 0.00 178.44 179.67 1xhk n VAL 636 N -3.31 0.00 -3.79 1.22 0.24 -0.79 -4.93 118.33 106.96 1xhk n VAL 636 Ca -0.22 -0.33 -0.37 0.00 -2.04 0.00 0.00 64.34 61.39 1xhk n VAL 636 Cb 1.05 0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 33.57 1xhk n VAL 636 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xhk s PHE 637 N -2.99 3.62 -0.75 6.34 0.40 -0.38 -0.91 117.98 123.31 1xhk s PHE 637 Ca -0.05 0.61 -0.17 0.00 -0.60 0.00 0.00 56.93 56.72 1xhk s PHE 637 Cb 0.10 -2.00 0.16 0.00 0.51 0.00 0.00 43.02 41.78 1xhk s PHE 637 CO 0.61 0.70 0.80 0.34 0.70 0.00 0.00 175.22 178.37 1xhk s ASP 638 N -1.21 6.50 -0.08 1.36 2.15 -0.90 -4.84 116.67 119.65 1xhk s ASP 638 Ca 0.19 -2.07 0.07 0.00 0.43 0.00 0.00 52.55 51.17 1xhk s ASP 638 Cb -0.13 -2.28 0.34 0.00 -0.30 0.00 0.00 42.92 40.55 1xhk s ASP 638 CO 0.09 -0.88 1.09 0.18 -0.17 0.00 0.00 175.17 175.48 1xhk n LEU 639 N 5.39 2.71 -0.89 -1.34 4.77 -1.26 -4.49 117.00 121.88 1xhk n LEU 639 Ca 0.06 -1.37 0.12 0.00 -0.03 0.00 0.00 56.01 54.79 1xhk n LEU 639 Cb 0.45 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 41.22 1xhk n LEU 639 CO 0.47 0.42 0.67 0.47 -1.33 0.00 0.00 177.39 178.08