#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwk s SER 463 N 0.00 5.90 0.10 -1.43 1.04 -1.26 -4.96 113.70 113.09 1hwk s SER 463 Ca 0.00 0.17 -0.31 0.00 0.48 0.00 0.00 55.95 56.29 1hwk s SER 463 Cb 0.00 -1.49 -0.12 0.00 0.10 0.00 0.00 66.02 64.51 1hwk s SER 463 CO 0.00 -0.60 1.60 0.44 0.98 0.00 0.00 173.24 175.66 1hwk h ASP 464 N 0.55 -1.08 -0.53 7.02 5.19 -2.02 -0.92 116.42 124.63 1hwk h ASP 464 Ca -0.46 0.10 0.16 0.00 -0.62 0.00 0.00 57.03 56.21 1hwk h ASP 464 Cb 1.25 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 41.12 1hwk h ASP 464 CO 0.56 -0.50 0.39 0.00 -3.12 0.00 0.00 179.24 176.57 1hwk h ALA 465 N -0.26 2.51 -0.01 3.45 0.00 -1.99 0.06 119.26 123.03 1hwk h ALA 465 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1hwk h ALA 465 Cb 0.68 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1hwk h ALA 465 CO -0.13 -0.66 -0.89 1.49 0.00 0.00 0.00 179.25 179.06 1hwk h GLU 466 N 0.00 0.32 -0.30 0.00 4.81 -1.73 -1.67 114.58 116.02 1hwk h GLU 466 Ca 0.25 -0.33 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1hwk h GLU 466 Cb 1.02 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1hwk h GLU 466 CO -0.00 1.03 -0.46 0.82 -0.73 0.00 0.00 179.01 179.66 1hwk h ILE 467 N 0.18 1.28 -0.08 2.32 1.08 0.27 -2.38 117.51 120.18 1hwk h ILE 467 Ca -0.06 -1.65 0.02 0.00 -0.39 0.00 0.00 64.86 62.78 1hwk h ILE 467 Cb 1.52 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 1hwk h ILE 467 CO 0.15 0.54 -0.04 0.40 -0.69 0.00 0.00 178.15 178.50 1hwk h ILE 468 N 0.61 0.87 -0.72 -0.67 1.08 -1.02 0.13 117.51 117.80 1hwk h ILE 468 Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 1hwk h ILE 468 Cb 1.06 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.64 1hwk h ILE 468 CO 0.11 0.00 0.45 1.56 -0.69 0.00 0.00 178.15 179.58 1hwk h GLN 469 N -0.03 0.86 -0.43 2.37 4.20 -1.30 -0.95 115.11 119.83 1hwk h GLN 469 Ca 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1hwk h GLN 469 Cb 0.10 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1hwk h GLN 469 CO -0.10 0.57 0.24 1.25 -0.67 0.00 0.00 178.83 180.12 1hwk h LEU 470 N 0.89 0.53 -0.54 1.46 6.46 -0.89 0.47 115.31 123.69 1hwk h LEU 470 Ca 0.28 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.83 1hwk h LEU 470 Cb 0.00 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1hwk h LEU 470 CO -0.10 0.46 -0.22 0.58 -0.62 0.00 0.00 178.44 178.54 1hwk h VAL 471 N 0.55 1.27 -0.08 1.05 2.07 -0.75 -2.31 116.25 118.05 1hwk h VAL 471 Ca 0.15 -1.38 -0.23 0.00 0.82 0.00 0.00 66.70 66.06 1hwk h VAL 471 Cb 0.04 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1hwk h VAL 471 CO -0.02 0.47 -0.86 0.78 0.02 0.00 0.00 177.57 177.96 1hwk h ASN 472 N 0.82 0.82 -0.19 0.57 2.35 -1.00 -3.13 115.58 115.83 1hwk h ASN 472 Ca 0.11 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1hwk h ASN 472 Cb 0.79 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1hwk h ASN 472 CO 0.07 1.37 0.00 0.00 -1.65 0.00 0.00 177.43 177.22 1hwk n ALA 473 N -2.60 2.51 -0.31 -0.83 0.00 0.16 -3.76 120.51 115.69 1hwk n ALA 473 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1hwk n ALA 473 Cb 0.79 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1hwk n ALA 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hwk n LYS 474 N 0.24 0.06 -1.37 0.00 4.76 -0.87 -4.98 118.16 115.98 1hwk n LYS 474 Ca 0.14 -0.58 -0.14 0.00 -2.87 0.00 0.00 58.31 54.86 1hwk n LYS 474 Cb 0.28 -0.85 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 1hwk n LYS 474 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1hwk n HIS 475 N -0.09 -0.15 -2.01 2.13 -0.00 -1.20 -4.88 115.22 109.01 1hwk n HIS 475 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1hwk n HIS 475 Cb 0.14 -2.81 -0.03 0.00 -0.12 0.00 0.00 29.99 27.18 1hwk n HIS 475 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1hwk s ILE 476 N -2.16 3.52 0.55 3.57 1.01 -1.19 -4.94 121.20 121.57 1hwk s ILE 476 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 1hwk s ILE 476 Cb 0.00 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 1hwk s ILE 476 CO 0.00 -0.34 0.95 -2.65 0.00 0.00 0.00 174.94 172.90 1hwk n PRO 477 N 8.14 1.01 0.00 2.79 -0.02 -1.26 -4.79 135.00 140.86 1hwk n PRO 477 Ca 0.22 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1hwk n PRO 477 Cb 0.46 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1hwk n PRO 477 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hwk n ALA 478 N -1.41 0.00 0.00 3.55 0.00 -1.26 -3.99 120.51 117.40 1hwk n ALA 478 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1hwk n ALA 478 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1hwk n ALA 478 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1hwk n TYR 479 N -0.80 0.00 1.80 0.00 0.18 -1.26 -4.43 117.16 112.64 1hwk n TYR 479 Ca 0.00 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.93 1hwk n TYR 479 Cb 0.00 -0.39 0.85 0.00 -0.38 0.00 0.00 39.34 39.42 1hwk n TYR 479 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1hwk n LYS 480 N -0.79 0.90 -0.20 -3.48 5.02 -1.26 -3.95 118.16 114.41 1hwk n LYS 480 Ca 0.00 -0.08 0.22 0.00 -2.02 0.00 0.00 58.31 56.42 1hwk n LYS 480 Cb 0.00 -1.50 0.58 0.00 -0.02 0.00 0.00 35.03 34.09 1hwk n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1hwk h LEU 481 N 0.21 0.26 -0.44 -0.35 3.38 -1.86 -2.15 115.31 114.36 1hwk h LEU 481 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1hwk h LEU 481 Cb 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1hwk h LEU 481 CO 0.00 0.11 0.22 -0.33 0.09 0.00 0.00 178.44 178.52 1hwk h GLU 482 N 0.26 0.64 0.00 1.13 3.07 -1.92 -0.83 114.58 116.94 1hwk h GLU 482 Ca 0.43 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 59.07 1hwk h GLU 482 Cb 1.28 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1hwk h GLU 482 CO -0.12 0.55 -0.64 1.79 -1.40 0.00 0.00 179.01 179.19 1hwk h THR 483 N 0.58 1.14 0.40 1.13 1.35 -1.72 -3.35 112.91 112.44 1hwk h THR 483 Ca 0.15 -2.50 -0.02 0.00 -0.55 0.00 0.00 66.41 63.50 1hwk h THR 483 Cb 0.12 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1hwk h THR 483 CO -0.02 0.63 -0.19 0.25 -0.25 0.00 0.00 175.52 175.93 1hwk h LEU 484 N 0.00 -0.45 0.00 3.87 6.46 -1.21 -3.45 115.31 120.52 1hwk h LEU 484 Ca -0.01 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1hwk h LEU 484 Cb 1.44 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.48 1hwk h LEU 484 CO 0.08 -0.03 0.00 -0.38 -0.62 0.00 0.00 178.44 177.49 1hwk n ILE 485 N -5.16 0.00 0.00 4.05 5.41 -0.33 -5.08 119.36 118.25 1hwk n ILE 485 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1hwk n ILE 485 Cb 0.28 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1hwk n ILE 485 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1hwk n GLU 486 N 0.00 0.00 -2.47 0.38 1.02 -1.26 -4.92 120.64 113.40 1hwk n GLU 486 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1hwk n GLU 486 Cb 0.00 -0.31 -0.04 0.00 -0.02 0.00 0.00 31.44 31.08 1hwk n GLU 486 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1hwk s THR 487 N -1.91 3.52 -0.02 2.62 2.01 -1.26 -4.98 115.64 115.63 1hwk s THR 487 Ca 0.00 1.28 -0.21 0.00 0.31 0.00 0.00 61.69 63.07 1hwk s THR 487 Cb 0.00 -3.71 -0.27 0.00 0.01 0.00 0.00 72.50 68.53 1hwk s THR 487 CO 0.00 0.11 1.01 0.45 -0.69 0.00 0.00 174.62 175.51 1hwk h HIS 488 N 2.84 0.57 0.00 4.92 3.86 -1.97 -3.30 115.15 122.07 1hwk h HIS 488 Ca -0.48 -0.35 -0.04 0.00 -1.16 0.00 0.00 60.37 58.34 1hwk h HIS 488 Cb 1.22 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 1hwk h HIS 488 CO 0.57 1.21 -0.19 1.49 0.86 0.00 0.00 177.93 181.87 1hwk h GLU 489 N -0.23 0.00 -0.20 2.45 4.81 -1.94 -2.85 114.58 116.63 1hwk h GLU 489 Ca -0.10 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1hwk h GLU 489 Cb 1.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 1hwk h GLU 489 CO 0.13 0.19 -0.59 -0.09 -0.73 0.00 0.00 179.01 177.93 1hwk h ARG 490 N 0.00 0.65 -0.87 1.92 2.43 -1.99 -0.55 114.38 115.97 1hwk h ARG 490 Ca -0.00 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1hwk h ARG 490 Cb 0.37 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1hwk h ARG 490 CO 0.03 1.05 0.45 0.78 -1.51 0.00 0.00 179.97 180.76 1hwk h GLY 491 N 0.94 1.32 0.91 2.80 0.00 -1.58 -0.37 103.07 107.08 1hwk h GLY 491 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1hwk h GLY 491 CO 0.12 0.60 0.08 -2.08 0.00 0.00 0.00 176.54 175.25 1hwk h VAL 492 N 1.22 1.23 -0.24 4.60 2.07 -1.33 -1.19 116.25 122.61 1hwk h VAL 492 Ca 0.30 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1hwk h VAL 492 Cb 0.07 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1hwk h VAL 492 CO -0.04 0.26 -0.02 -1.28 0.02 0.00 0.00 177.57 176.51 1hwk h SER 493 N 0.41 0.32 -0.10 0.57 0.87 -0.68 -1.59 113.55 113.35 1hwk h SER 493 Ca 0.11 -0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.39 1hwk h SER 493 Cb 0.31 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1hwk h SER 493 CO 0.00 0.40 -0.84 0.40 -0.53 0.00 0.00 176.83 176.26 1hwk h ILE 494 N 0.34 1.29 -0.66 2.23 2.04 -0.81 -2.58 117.51 119.35 1hwk h ILE 494 Ca 0.08 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.82 1hwk h ILE 494 Cb 0.26 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1hwk h ILE 494 CO 0.01 0.64 0.14 -0.09 0.00 0.00 0.00 178.15 178.85 1hwk h ARG 495 N 0.44 1.05 -0.60 2.37 2.43 -0.88 0.38 114.38 119.58 1hwk h ARG 495 Ca -0.08 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1hwk h ARG 495 Cb 1.48 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1hwk h ARG 495 CO 0.17 0.94 0.23 0.00 -1.51 0.00 0.00 179.97 179.81 1hwk h ARG 496 N 1.00 0.90 -0.45 0.20 3.08 -1.31 0.12 114.38 117.93 1hwk h ARG 496 Ca 0.21 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1hwk h ARG 496 Cb 0.38 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1hwk h ARG 496 CO 0.00 0.78 0.15 1.96 -1.07 0.00 0.00 179.97 181.79 1hwk h GLN 497 N 0.84 0.69 0.08 0.04 4.20 -1.04 -0.43 115.11 119.49 1hwk h GLN 497 Ca 0.20 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1hwk h GLN 497 Cb 0.21 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1hwk h GLN 497 CO -0.02 0.66 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.70 1hwk h LEU 498 N 0.59 -0.09 -0.85 1.46 3.38 -0.62 -2.96 115.31 116.22 1hwk h LEU 498 Ca 0.15 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1hwk h LEU 498 Cb 0.25 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1hwk h LEU 498 CO -0.01 -0.05 0.56 0.25 0.09 0.00 0.00 178.44 179.28 1hwk h LEU 499 N -0.12 0.94 -1.51 1.67 5.85 -0.68 -2.82 115.31 118.64 1hwk h LEU 499 Ca -0.01 -0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.94 1hwk h LEU 499 Cb 0.09 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1hwk h LEU 499 CO 0.02 0.66 0.65 0.28 -0.34 0.00 0.00 178.44 179.71 1hwk h SER 500 N 1.10 0.37 0.31 1.25 0.02 -0.90 0.32 113.55 116.03 1hwk h SER 500 Ca 0.33 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1hwk h SER 500 Cb -0.05 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1hwk h SER 500 CO -0.10 0.11 0.00 0.29 -1.14 0.00 0.00 176.83 176.00 1hwk n LYS 501 N -4.52 0.62 -0.34 3.45 5.02 -1.06 -2.99 118.16 118.34 1hwk n LYS 501 Ca 0.22 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.61 1hwk n LYS 501 Cb 0.83 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.60 1hwk n LYS 501 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hwk n LYS 502 N -1.17 2.95 -4.48 1.97 5.02 0.11 -4.99 118.16 117.57 1hwk n LYS 502 Ca 0.17 -2.48 -0.29 0.00 -2.02 0.00 0.00 58.31 53.68 1hwk n LYS 502 Cb 0.17 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 1hwk n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hwk s LEU 503 N -1.22 2.43 0.60 -0.35 1.43 -1.16 -5.01 118.68 115.41 1hwk s LEU 503 Ca 0.39 -0.63 0.38 0.00 -1.03 0.00 0.00 54.13 53.24 1hwk s LEU 503 Cb 0.22 -1.35 1.87 0.00 0.03 0.00 0.00 46.19 46.96 1hwk s LEU 503 CO 0.24 0.20 2.18 0.77 0.23 0.00 0.00 176.35 179.97 1hwk h SER 504 N 4.07 0.00 -3.47 2.29 4.64 -1.94 -3.30 113.55 115.84 1hwk h SER 504 Ca -0.50 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.22 1hwk h SER 504 Cb 1.16 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.85 1hwk h SER 504 CO 0.43 0.01 -0.74 -1.61 -0.87 0.00 0.00 176.83 174.05 1hwk s GLU 505 N -3.94 1.22 0.60 4.77 0.41 -1.26 -4.99 118.70 115.51 1hwk s GLU 505 Ca -0.02 -1.88 0.31 0.00 -0.41 0.00 0.00 54.97 52.98 1hwk s GLU 505 Cb 0.11 -2.32 1.84 0.00 -1.78 0.00 0.00 34.13 31.98 1hwk s GLU 505 CO 0.49 -1.13 2.21 -1.35 -0.49 0.00 0.00 175.26 174.98 1hwk h PRO 506 N 6.94 0.00 -0.45 0.39 0.11 -1.72 -1.57 132.00 135.71 1hwk h PRO 506 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1hwk h PRO 506 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1hwk h PRO 506 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 1hwk n SER 507 N -3.69 2.34 0.23 -2.05 3.41 -1.26 -4.32 113.62 108.28 1hwk n SER 507 Ca -0.01 -2.06 0.10 0.00 -0.26 0.00 0.00 58.87 56.64 1hwk n SER 507 Cb 0.18 -0.31 0.56 0.00 -0.26 0.00 0.00 64.21 64.37 1hwk n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1hwk h SER 508 N 2.35 0.00 -0.05 4.04 4.64 -1.68 -2.37 113.55 120.48 1hwk h SER 508 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hwk h SER 508 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1hwk h SER 508 CO 0.03 0.21 0.00 0.18 -0.87 0.00 0.00 176.83 176.38 1hwk n LEU 509 N -3.57 0.56 -0.08 5.97 4.77 -1.26 -4.33 117.00 119.07 1hwk n LEU 509 Ca -0.01 -0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 55.67 1hwk n LEU 509 Cb 0.35 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1hwk n LEU 509 CO 0.33 0.11 0.72 -0.61 -1.33 0.00 0.00 177.39 176.61 1hwk h GLN 510 N 0.77 -0.17 -0.54 3.23 -0.00 -1.74 -2.29 115.11 114.36 1hwk h GLN 510 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1hwk h GLN 510 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.69 1hwk h GLN 510 CO 0.00 -0.11 0.00 0.66 0.00 0.00 0.00 178.83 179.38 1hwk n TYR 511 N -5.36 0.81 -3.12 3.99 4.02 -1.26 -4.74 117.16 111.49 1hwk n TYR 511 Ca 0.00 -0.34 -0.44 0.00 -0.01 0.00 0.00 57.90 57.11 1hwk n TYR 511 Cb 0.28 -0.11 -0.05 0.00 -0.02 0.00 0.00 39.34 39.43 1hwk n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1hwk s LEU 512 N -1.21 5.23 0.70 7.72 2.96 -0.86 -5.05 118.68 128.17 1hwk s LEU 512 Ca 0.31 -1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 52.81 1hwk s LEU 512 Cb 0.18 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.54 1hwk s LEU 512 CO 0.17 -1.04 1.25 -2.16 -1.32 0.00 0.00 176.35 173.25 1hwk s PRO 513 N 2.69 2.27 0.00 0.98 0.04 -1.26 -4.83 135.00 134.89 1hwk s PRO 513 Ca 0.13 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1hwk s PRO 513 Cb -0.22 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1hwk s PRO 513 CO 0.08 -1.77 0.00 2.48 0.04 0.00 0.00 177.00 177.83 1hwk n TYR 514 N -2.37 0.00 -2.24 0.56 0.18 -1.26 -1.00 117.16 111.03 1hwk n TYR 514 Ca 0.15 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 1hwk n TYR 514 Cb 0.49 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.45 1hwk n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1hwk s ARG 515 N -0.47 3.44 -1.38 -3.48 0.52 -1.26 -4.13 118.95 112.19 1hwk s ARG 515 Ca 0.00 1.38 -0.08 0.00 -0.52 0.00 0.00 55.73 56.51 1hwk s ARG 515 Cb 0.00 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.46 1hwk s ARG 515 CO 0.00 -0.74 1.00 -0.25 0.02 0.00 0.00 175.30 175.33 1hwk n ASP 516 N -1.53 -4.21 -4.21 0.23 8.00 -1.26 -5.00 116.55 108.56 1hwk n ASP 516 Ca 0.10 -0.69 -0.26 0.00 0.71 0.00 0.00 54.79 54.65 1hwk n ASP 516 Cb 0.52 -4.48 -0.15 0.00 -0.02 0.00 0.00 41.12 36.99 1hwk n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1hwk s TYR 517 N -3.39 1.79 -0.88 1.24 5.04 -1.26 -5.08 117.35 114.82 1hwk s TYR 517 Ca 0.41 -0.34 -0.25 0.00 -2.44 0.00 0.00 57.07 54.45 1hwk s TYR 517 Cb -0.20 -1.14 0.02 0.00 0.35 0.00 0.00 41.96 41.00 1hwk s TYR 517 CO 0.78 -0.02 1.51 1.21 -1.34 0.00 0.00 175.55 177.69 1hwk s ASN 518 N -0.56 6.09 0.01 4.32 2.47 -1.26 -4.82 114.94 121.19 1hwk s ASN 518 Ca 0.08 -0.88 0.28 0.00 0.42 0.00 0.00 52.86 52.76 1hwk s ASN 518 Cb -0.08 -2.56 1.07 0.00 -1.45 0.00 0.00 41.25 38.23 1hwk s ASN 518 CO -0.00 -1.86 1.82 -1.22 -3.72 0.00 0.00 177.10 172.11 1hwk n TYR 519 N 10.11 0.04 0.02 0.43 4.02 -1.26 -3.96 117.16 126.56 1hwk n TYR 519 Ca 0.24 0.01 -0.02 0.00 -0.01 0.00 0.00 57.90 58.11 1hwk n TYR 519 Cb 0.50 -0.47 0.23 0.00 -0.02 0.00 0.00 39.34 39.58 1hwk n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1hwk h SER 520 N 0.00 0.47 1.19 7.72 4.64 -1.92 -0.56 113.55 125.09 1hwk h SER 520 Ca 0.00 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1hwk h SER 520 Cb 0.51 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1hwk h SER 520 CO 0.00 0.68 -0.57 -0.07 -0.87 0.00 0.00 176.83 176.00 1hwk h LEU 521 N 0.43 0.00 0.00 5.97 4.07 -1.97 -3.33 115.31 120.48 1hwk h LEU 521 Ca 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1hwk h LEU 521 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1hwk h LEU 521 CO 0.04 0.57 -0.00 0.58 -1.08 0.00 0.00 178.44 178.55 1hwk h VAL 522 N 0.00 1.58 -2.21 1.22 2.07 -1.67 -3.40 116.25 113.85 1hwk h VAL 522 Ca -0.01 -2.18 -0.60 0.00 0.82 0.00 0.00 66.70 64.74 1hwk h VAL 522 Cb 1.32 2.98 0.06 0.00 -1.52 0.00 0.00 31.29 34.13 1hwk h VAL 522 CO 0.07 0.53 0.71 0.23 0.02 0.00 0.00 177.57 179.14 1hwk n MET 523 N -4.63 1.95 -1.38 1.57 2.81 -0.24 -0.22 117.12 116.98 1hwk n MET 523 Ca -0.09 0.70 -0.13 0.00 -1.81 0.00 0.00 57.70 56.37 1hwk n MET 523 Cb 0.42 -2.44 -0.06 0.00 -0.71 0.00 0.00 33.22 30.44 1hwk n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hwk n GLY 524 N 3.11 1.37 0.62 3.03 0.00 -1.26 -4.74 105.19 107.32 1hwk n GLY 524 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1hwk n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwk n ALA 525 N 1.24 1.04 0.00 4.61 0.00 -0.49 -5.04 120.51 121.88 1hwk n ALA 525 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1hwk n ALA 525 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1hwk n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hwk s GLU 528 N -3.36 1.33 -1.54 0.00 8.01 -1.26 -4.40 118.70 117.47 1hwk s GLU 528 Ca 0.03 -1.67 -0.09 0.00 0.01 0.00 0.00 54.97 53.25 1hwk s GLU 528 Cb -0.01 -0.62 0.07 0.00 -4.31 0.00 0.00 34.13 29.26 1hwk s GLU 528 CO -0.10 -0.09 0.63 0.09 0.01 0.00 0.00 175.26 175.79 1hwk n ASN 529 N -0.41 -2.02 -4.71 -0.19 4.13 -1.26 -4.86 115.26 105.94 1hwk n ASN 529 Ca -0.05 -0.98 -0.42 0.00 1.68 0.00 0.00 54.58 54.80 1hwk n ASN 529 Cb 0.64 -3.03 -0.03 0.00 -1.54 0.00 0.00 39.78 35.82 1hwk n ASN 529 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1hwk s VAL 530 N -3.62 2.76 0.00 2.41 1.01 -1.26 -4.91 120.40 116.79 1hwk s VAL 530 Ca 0.37 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1hwk s VAL 530 Cb -0.20 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1hwk s VAL 530 CO 0.90 0.03 0.90 2.30 0.00 0.00 0.00 175.10 179.23 1hwk n ILE 531 N 4.13 0.80 -0.31 2.22 -5.35 -1.26 -4.65 119.36 114.94 1hwk n ILE 531 Ca 0.14 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1hwk n ILE 531 Cb 0.39 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 1hwk n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hwk n GLY 532 N -0.40 0.47 3.16 3.28 0.00 -1.26 -4.80 105.19 105.64 1hwk n GLY 532 Ca 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 1hwk n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hwk s TYR 533 N -3.70 0.08 -0.30 1.61 -0.85 -0.17 -4.94 117.35 109.09 1hwk s TYR 533 Ca 0.00 -0.29 -0.07 0.00 -0.52 0.00 0.00 57.07 56.19 1hwk s TYR 533 Cb 0.00 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.30 1hwk s TYR 533 CO 0.00 -0.40 0.08 1.41 -1.52 0.00 0.00 175.55 175.13 1hwk s MET 534 N -2.39 3.07 -0.12 -3.49 -2.45 -1.26 -4.21 119.30 108.46 1hwk s MET 534 Ca -0.07 -0.87 -0.30 0.00 -1.25 0.00 0.00 55.69 53.21 1hwk s MET 534 Cb -0.02 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.66 1hwk s MET 534 CO -0.03 -0.45 1.10 -2.14 1.05 0.00 0.00 175.02 174.55 1hwk s PRO 535 N 1.50 4.35 -0.20 4.11 0.02 -1.26 -5.03 135.00 138.49 1hwk s PRO 535 Ca 0.02 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.52 1hwk s PRO 535 Cb -0.17 -3.59 -0.01 0.00 0.02 0.00 0.00 34.50 30.75 1hwk s PRO 535 CO 0.03 -0.46 -0.05 0.42 -0.33 0.00 0.00 177.00 176.60 1hwk s ILE 536 N 2.46 3.41 0.26 2.83 -1.09 -1.26 -5.08 121.20 122.73 1hwk s ILE 536 Ca 0.51 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 1hwk s ILE 536 Cb -0.20 -2.53 -0.13 0.00 -1.58 0.00 0.00 42.46 38.02 1hwk s ILE 536 CO 0.17 0.45 1.36 -2.65 -1.23 0.00 0.00 174.94 173.04 1hwk n PRO 537 N 4.45 2.03 -4.11 2.79 -0.02 -1.26 -4.77 135.00 134.11 1hwk n PRO 537 Ca -0.18 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 1hwk n PRO 537 Cb 0.51 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 1hwk n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hwk s VAL 538 N -0.33 3.02 0.39 -1.45 1.01 -1.26 -1.40 120.40 120.38 1hwk s VAL 538 Ca 0.65 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1hwk s VAL 538 Cb -0.63 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1hwk s VAL 538 CO 0.53 0.47 0.14 -0.83 0.00 0.00 0.00 175.10 175.41 1hwk s GLY 539 N 1.24 2.22 -0.04 4.51 0.00 0.21 -4.92 107.32 110.54 1hwk s GLY 539 Ca 0.03 -2.03 0.05 0.00 0.00 0.00 0.00 44.72 42.76 1hwk s GLY 539 CO -0.04 -1.88 -0.19 0.54 0.00 0.00 0.00 173.10 171.53 1hwk s VAL 540 N -2.55 1.54 -0.09 1.40 0.11 -1.26 -0.62 120.40 118.93 1hwk s VAL 540 Ca 0.39 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1hwk s VAL 540 Cb 0.02 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1hwk s VAL 540 CO 0.22 0.44 -0.21 0.00 -3.33 0.00 0.00 175.10 172.22 1hwk s ALA 541 N -0.05 1.93 0.00 1.54 0.00 -0.26 -4.94 121.76 119.97 1hwk s ALA 541 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1hwk s ALA 541 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1hwk s ALA 541 CO 0.02 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1hwk n GLY 542 N 3.55 -2.28 3.78 0.00 0.00 -1.26 -0.86 105.19 108.12 1hwk n GLY 542 Ca -0.20 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 1hwk n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hwk s PRO 543 N -1.94 3.96 -0.39 1.61 0.04 -1.26 -4.93 135.00 132.09 1hwk s PRO 543 Ca 0.00 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1hwk s PRO 543 Cb 0.00 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.07 1hwk s PRO 543 CO 0.00 -0.35 0.28 -1.17 0.04 0.00 0.00 177.00 175.80 1hwk s LEU 544 N -2.82 4.94 -0.63 -3.56 2.96 0.69 -4.64 118.68 115.61 1hwk s LEU 544 Ca 0.60 -0.81 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 1hwk s LEU 544 Cb -0.26 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.35 1hwk s LEU 544 CO 0.32 -0.40 1.01 0.00 -1.32 0.00 0.00 176.35 175.96 1hwk s LEU 546 N 4.33 1.26 -1.47 0.00 2.96 -0.62 -0.54 118.68 124.59 1hwk s LEU 546 Ca 0.27 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1hwk s LEU 546 Cb -0.14 -0.66 0.06 0.00 0.50 0.00 0.00 46.19 45.95 1hwk s LEU 546 CO 0.14 -0.07 0.75 0.47 -1.32 0.00 0.00 176.35 176.33 1hwk n ASP 547 N 4.40 -2.61 -1.34 3.68 8.00 0.95 -1.70 116.55 127.93 1hwk n ASP 547 Ca -0.18 -0.87 -0.17 0.00 0.71 0.00 0.00 54.79 54.28 1hwk n ASP 547 Cb 0.51 -3.58 -0.07 0.00 -0.02 0.00 0.00 41.12 37.96 1hwk n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hwk n GLU 548 N -4.47 -1.18 -4.47 -1.24 1.02 -1.26 -4.99 120.64 104.05 1hwk n GLU 548 Ca -0.12 1.06 -0.23 0.00 -0.02 0.00 0.00 57.16 57.85 1hwk n GLU 548 Cb 0.60 -5.29 -0.10 0.00 -0.02 0.00 0.00 31.44 26.62 1hwk n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1hwk s LYS 549 N -3.56 1.66 -0.11 3.49 1.02 -0.69 -5.15 119.74 116.41 1hwk s LYS 549 Ca 0.00 -1.87 0.02 0.00 0.02 0.00 0.00 55.97 54.14 1hwk s LYS 549 Cb 0.00 -1.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.07 1hwk s LYS 549 CO 0.00 0.00 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.06 1hwk s GLU 550 N -3.74 2.31 -0.02 1.68 2.02 -1.26 -1.60 118.70 118.10 1hwk s GLU 550 Ca 0.32 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.77 1hwk s GLU 550 Cb 0.05 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 1hwk s GLU 550 CO 0.14 -0.04 -0.21 -0.06 0.02 0.00 0.00 175.26 175.11 1hwk s PHE 551 N 0.92 2.48 -0.41 1.61 0.40 -0.32 -4.88 117.98 117.77 1hwk s PHE 551 Ca -0.08 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1hwk s PHE 551 Cb -0.15 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 41.91 1hwk s PHE 551 CO -0.01 0.07 0.25 -0.65 0.70 0.00 0.00 175.22 175.59 1hwk s GLN 552 N -0.75 2.63 -0.34 0.44 -1.52 -1.26 -0.22 119.66 118.64 1hwk s GLN 552 Ca 0.11 -1.41 -0.22 0.00 -1.95 0.00 0.00 55.36 51.89 1hwk s GLN 552 Cb -0.10 -3.77 0.00 0.00 -0.22 0.00 0.00 33.01 28.92 1hwk s GLN 552 CO 0.00 -0.92 0.71 0.08 -0.25 0.00 0.00 175.29 174.91 1hwk s VAL 553 N 1.44 4.83 0.10 1.09 1.01 -0.04 -4.61 120.40 124.22 1hwk s VAL 553 Ca 0.03 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1hwk s VAL 553 Cb -0.22 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 1hwk s VAL 553 CO 0.03 -0.30 1.03 -2.16 0.00 0.00 0.00 175.10 173.69 1hwk s PRO 554 N 2.86 4.62 -0.15 2.72 0.04 -1.26 -1.11 135.00 142.72 1hwk s PRO 554 Ca 0.28 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1hwk s PRO 554 Cb -0.14 -3.37 0.05 0.00 0.04 0.00 0.00 34.50 31.08 1hwk s PRO 554 CO 0.14 0.07 0.02 -1.64 0.04 0.00 0.00 177.00 175.64 1hwk s MET 555 N 0.24 0.66 -0.41 4.56 -1.94 0.21 -4.39 119.30 118.23 1hwk s MET 555 Ca 0.50 -0.24 -0.20 0.00 -1.71 0.00 0.00 55.69 54.04 1hwk s MET 555 Cb -0.25 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 34.88 1hwk s MET 555 CO 0.31 -0.52 0.61 0.00 -0.01 0.00 0.00 175.02 175.41 1hwk s ALA 556 N 1.89 3.39 0.19 3.03 0.00 -0.24 -0.62 121.76 129.41 1hwk s ALA 556 Ca 0.01 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 1hwk s ALA 556 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1hwk s ALA 556 CO -0.07 -1.61 0.50 -0.08 0.00 0.00 0.00 175.76 174.50 1hwk s THR 557 N 2.70 0.03 -0.02 0.00 -1.32 -0.49 -4.28 115.64 112.25 1hwk s THR 557 Ca 0.22 -0.80 0.03 0.00 -1.21 0.00 0.00 61.69 59.92 1hwk s THR 557 Cb -0.15 -1.57 0.04 0.00 -1.51 0.00 0.00 72.50 69.32 1hwk s THR 557 CO 0.17 -0.14 0.95 0.35 -2.21 0.00 0.00 174.62 173.74 1hwk n THR 558 N -0.33 0.95 -3.25 5.08 -2.24 -1.26 -4.09 114.28 109.14 1hwk n THR 558 Ca -0.10 -1.00 -0.41 0.00 -2.27 0.00 0.00 64.05 60.26 1hwk n THR 558 Cb 0.63 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.24 1hwk n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1hwk s GLU 559 N -1.10 3.61 0.38 -0.78 2.12 -1.26 -5.04 118.70 116.64 1hwk s GLU 559 Ca 0.05 -0.18 -0.28 0.00 0.36 0.00 0.00 54.97 54.92 1hwk s GLU 559 Cb 0.04 -3.81 -0.11 0.00 0.26 0.00 0.00 34.13 30.51 1hwk s GLU 559 CO 0.00 -0.64 1.49 0.41 -0.54 0.00 0.00 175.26 175.99 1hwk n GLY 560 N 4.80 1.21 3.27 -1.50 0.00 -1.26 -2.59 105.19 109.12 1hwk n GLY 560 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1hwk n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwk h LEU 562 N 0.00 -0.07 -0.44 0.00 5.85 -1.93 0.14 115.31 118.86 1hwk h LEU 562 Ca 0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1hwk h LEU 562 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1hwk h LEU 562 CO 0.00 0.08 0.20 0.58 -0.34 0.00 0.00 178.44 178.95 1hwk h VAL 563 N -0.21 1.19 -0.34 1.05 2.07 -1.91 -1.28 116.25 116.83 1hwk h VAL 563 Ca -0.01 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1hwk h VAL 563 Cb 0.18 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1hwk h VAL 563 CO 0.01 0.21 0.18 0.00 0.02 0.00 0.00 177.57 177.99 1hwk h ALA 564 N 1.04 0.42 -0.53 1.67 0.00 -1.90 0.93 119.26 120.90 1hwk h ALA 564 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1hwk h ALA 564 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1hwk h ALA 564 CO -0.02 -0.18 0.13 1.03 0.00 0.00 0.00 179.25 180.21 1hwk h SER 565 N 0.38 0.80 -0.37 0.00 0.87 -0.62 -1.10 113.55 113.50 1hwk h SER 565 Ca 0.14 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 1hwk h SER 565 Cb 0.02 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1hwk h SER 565 CO -0.08 0.82 -0.01 0.74 -0.53 0.00 0.00 176.83 177.78 1hwk h THR 566 N 0.74 1.24 -0.37 2.23 2.02 -0.87 -2.10 112.91 115.80 1hwk h THR 566 Ca 0.17 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1hwk h THR 566 Cb 0.34 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1hwk h THR 566 CO 0.00 0.35 0.10 -1.13 0.37 0.00 0.00 175.52 175.21 1hwk h ASN 567 N 0.71 0.55 -0.94 4.18 -1.24 -0.45 -1.09 115.58 117.30 1hwk h ASN 567 Ca 0.14 -0.22 0.07 0.00 0.71 0.00 0.00 56.30 56.99 1hwk h ASN 567 Cb 0.45 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.29 1hwk h ASN 567 CO 0.02 0.63 0.61 -0.09 -1.29 0.00 0.00 177.43 177.31 1hwk h ARG 568 N 0.45 1.04 -0.58 6.67 2.43 -0.82 -0.84 114.38 122.72 1hwk h ARG 568 Ca 0.12 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1hwk h ARG 568 Cb 0.29 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1hwk h ARG 568 CO -0.00 0.69 0.18 0.78 -1.51 0.00 0.00 179.97 180.11 1hwk h GLY 569 N 1.07 0.97 0.93 2.80 0.00 -0.86 -2.06 103.07 105.92 1hwk h GLY 569 Ca 0.41 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1hwk h GLY 569 CO -0.16 0.54 0.55 0.00 0.00 0.00 0.00 176.54 177.47 1hwk h ARG 571 N 1.09 0.07 -0.52 0.00 9.65 -0.68 -0.78 114.38 123.21 1hwk h ARG 571 Ca 0.33 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.19 1hwk h ARG 571 Cb -0.05 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1hwk h ARG 571 CO -0.10 0.05 0.26 0.00 2.80 0.00 0.00 179.97 182.98 1hwk h ALA 572 N 1.11 1.47 -0.26 2.80 0.00 -1.17 -1.72 119.26 121.49 1hwk h ALA 572 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1hwk h ALA 572 Cb 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1hwk h ALA 572 CO -0.10 0.43 -0.24 0.82 0.00 0.00 0.00 179.25 180.16 1hwk h ILE 573 N 0.73 1.31 -0.50 0.00 2.04 -0.93 -2.68 117.51 117.49 1hwk h ILE 573 Ca 0.18 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1hwk h ILE 573 Cb 0.07 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1hwk h ILE 573 CO -0.03 0.44 0.32 1.23 0.00 0.00 0.00 178.15 180.12 1hwk h GLY 574 N 0.34 0.71 2.00 5.37 0.00 -0.80 -0.70 103.07 109.99 1hwk h GLY 574 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1hwk h GLY 574 CO 0.06 0.27 0.00 1.04 0.00 0.00 0.00 176.54 177.91 1hwk n LEU 575 N -4.73 0.37 -1.13 3.11 4.77 -0.68 -2.19 117.00 116.53 1hwk n LEU 575 Ca 0.02 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 1hwk n LEU 575 Cb 0.03 -0.57 0.22 0.00 -2.33 0.00 0.00 43.42 40.77 1hwk n LEU 575 CO 0.35 -0.49 0.71 0.61 -1.33 0.00 0.00 177.39 177.24 1hwk n GLY 576 N -0.25 1.64 0.32 -0.72 0.00 -0.56 -4.87 105.19 100.75 1hwk n GLY 576 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1hwk n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwk n GLY 577 N 1.49 0.92 0.00 -0.02 0.00 -0.93 -4.70 105.19 101.95 1hwk n GLY 577 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1hwk n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwk n GLY 578 N -2.16 -1.08 3.56 -0.02 0.00 -0.38 -5.00 105.19 100.11 1hwk n GLY 578 Ca 0.00 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 1hwk n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwk s ALA 579 N -1.59 2.93 0.07 4.61 0.00 0.29 -4.59 121.76 123.48 1hwk s ALA 579 Ca 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 51.96 50.55 1hwk s ALA 579 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1hwk s ALA 579 CO 0.00 0.45 -0.25 -1.12 0.00 0.00 0.00 175.76 174.84 1hwk s SER 580 N -2.88 3.01 0.05 0.00 0.01 -0.56 -0.04 113.70 113.29 1hwk s SER 580 Ca 0.25 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 56.84 1hwk s SER 580 Cb -0.08 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1hwk s SER 580 CO 0.15 0.21 0.10 -0.94 0.41 0.00 0.00 173.24 173.16 1hwk s SER 581 N -1.46 0.22 -0.05 2.44 1.04 -1.26 -0.84 113.70 113.80 1hwk s SER 581 Ca 0.11 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 1hwk s SER 581 Cb -0.10 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1hwk s SER 581 CO 0.03 -0.58 0.13 -0.13 0.98 0.00 0.00 173.24 173.67 1hwk s ARG 582 N -3.17 0.17 -0.27 4.02 1.81 -0.23 -5.00 118.95 116.28 1hwk s ARG 582 Ca -0.00 0.15 -0.18 0.00 -1.72 0.00 0.00 55.73 53.98 1hwk s ARG 582 Cb 0.02 0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.58 1hwk s ARG 582 CO -0.07 -0.02 0.54 0.08 -0.68 0.00 0.00 175.30 175.15 1hwk s VAL 583 N -0.00 5.04 -0.04 3.52 1.01 -1.26 -1.74 120.40 126.92 1hwk s VAL 583 Ca -0.01 0.88 0.12 0.00 0.00 0.00 0.00 61.98 62.98 1hwk s VAL 583 Cb -0.01 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 1hwk s VAL 583 CO 0.00 0.04 0.67 0.18 0.00 0.00 0.00 175.10 175.99 1hwk n LEU 584 N 5.61 0.91 -3.49 3.92 4.77 0.73 -4.99 117.00 124.46 1hwk n LEU 584 Ca -0.03 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1hwk n LEU 584 Cb 0.49 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1hwk n LEU 584 CO 0.41 0.39 0.37 0.00 -1.33 0.00 0.00 177.39 177.24 1hwk s ALA 585 N -2.60 -1.55 -0.17 -1.18 0.00 -1.20 -4.96 121.76 110.10 1hwk s ALA 585 Ca -0.05 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 1hwk s ALA 585 Cb 0.08 0.53 0.08 0.00 0.00 0.00 0.00 23.12 23.81 1hwk s ALA 585 CO 0.82 -0.60 0.26 0.34 0.00 0.00 0.00 175.76 176.59 1hwk s ASP 586 N -2.16 0.68 0.00 0.00 2.15 -1.25 -1.13 116.67 114.96 1hwk s ASP 586 Ca -0.04 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1hwk s ASP 586 Cb -0.01 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 1hwk s ASP 586 CO -0.04 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 1hwk n GLY 587 N 5.34 0.38 3.82 2.66 0.00 0.89 -4.53 105.19 113.76 1hwk n GLY 587 Ca -0.06 0.68 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 1hwk n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hwk s MET 588 N 0.00 3.62 0.25 1.61 1.75 -0.53 -0.19 119.30 125.81 1hwk s MET 588 Ca 0.00 1.06 0.04 0.00 -1.25 0.00 0.00 55.69 55.54 1hwk s MET 588 Cb 0.00 -2.08 -0.05 0.00 2.84 0.00 0.00 34.83 35.53 1hwk s MET 588 CO 0.00 -0.55 0.00 0.95 -0.65 0.00 0.00 175.02 174.77 1hwk s THR 589 N -2.58 1.09 -0.16 10.11 -4.23 -1.26 -1.47 115.64 117.15 1hwk s THR 589 Ca 0.61 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 1hwk s THR 589 Cb -0.13 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.36 1hwk s THR 589 CO 0.35 -0.27 0.37 -0.60 -0.54 0.00 0.00 174.62 173.93 1hwk s ARG 590 N -3.86 0.32 -0.71 3.99 6.06 -0.87 -4.93 118.95 118.96 1hwk s ARG 590 Ca 0.30 0.81 0.05 0.00 -2.50 0.00 0.00 55.73 54.38 1hwk s ARG 590 Cb 0.06 0.04 0.17 0.00 0.06 0.00 0.00 34.95 35.28 1hwk s ARG 590 CO 0.10 -0.19 0.50 0.41 -2.50 0.00 0.00 175.30 173.62 1hwk n GLY 591 N 4.64 4.02 3.70 8.12 0.00 -1.26 -0.81 105.19 123.60 1hwk n GLY 591 Ca -0.18 -2.58 -0.31 0.00 0.00 0.00 0.00 46.02 42.95 1hwk n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hwk s PRO 592 N -1.48 1.32 -0.13 1.61 0.04 -1.12 -0.25 135.00 134.99 1hwk s PRO 592 Ca 0.25 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1hwk s PRO 592 Cb -0.04 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1hwk s PRO 592 CO -0.17 -2.32 -0.23 0.54 0.04 0.00 0.00 177.00 174.87 1hwk s VAL 593 N -2.77 2.06 0.27 -0.36 0.11 -0.69 -2.19 120.40 116.82 1hwk s VAL 593 Ca 0.64 -0.99 0.11 0.00 -2.93 0.00 0.00 61.98 58.81 1hwk s VAL 593 Cb -0.20 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.80 1hwk s VAL 593 CO 0.58 0.55 -0.17 0.68 -3.33 0.00 0.00 175.10 173.41 1hwk s VAL 594 N 0.66 2.25 0.03 2.04 -7.23 -0.22 -1.89 120.40 116.04 1hwk s VAL 594 Ca -0.11 -2.34 0.04 0.00 -1.81 0.00 0.00 61.98 57.77 1hwk s VAL 594 Cb -0.16 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1hwk s VAL 594 CO 0.02 -0.43 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.12 1hwk s ARG 595 N -3.56 0.89 0.35 4.82 0.52 0.29 -0.56 118.95 121.70 1hwk s ARG 595 Ca 0.28 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 54.88 1hwk s ARG 595 Cb -0.03 -0.87 -0.05 0.00 0.52 0.00 0.00 34.95 34.51 1hwk s ARG 595 CO 0.13 0.22 0.04 -0.51 0.02 0.00 0.00 175.30 175.20 1hwk s LEU 596 N -1.04 3.03 0.35 2.53 1.02 -0.57 -0.75 118.68 123.26 1hwk s LEU 596 Ca 0.01 -0.98 0.04 0.00 0.02 0.00 0.00 54.13 53.22 1hwk s LEU 596 Cb -0.07 -1.40 0.66 0.00 0.02 0.00 0.00 46.19 45.40 1hwk s LEU 596 CO 0.01 -0.28 1.96 -0.65 0.02 0.00 0.00 176.35 177.41 1hwk h PRO 597 N 1.74 0.65 -4.25 1.29 0.11 -1.87 -3.45 132.00 126.22 1hwk h PRO 597 Ca -0.43 -0.08 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 1hwk h PRO 597 Cb 1.25 -0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.07 1hwk h PRO 597 CO 0.67 0.52 -0.69 1.03 -0.21 0.00 0.00 178.00 179.33 1hwk s ARG 598 N -5.35 0.57 0.47 1.05 1.81 -1.26 -4.98 118.95 111.26 1hwk s ARG 598 Ca -0.09 -1.09 0.13 0.00 -1.72 0.00 0.00 55.73 52.96 1hwk s ARG 598 Cb 0.17 0.12 1.10 0.00 -0.45 0.00 0.00 34.95 35.89 1hwk s ARG 598 CO 0.76 -0.08 2.10 0.00 -0.68 0.00 0.00 175.30 177.40 1hwk h ALA 599 N 3.49 1.86 -0.15 2.13 0.00 -1.87 -0.22 119.26 124.50 1hwk h ALA 599 Ca -0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1hwk h ALA 599 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1hwk h ALA 599 CO 0.60 0.12 -0.10 0.00 0.00 0.00 0.00 179.25 179.86 1hwk h ASP 601 N 0.22 0.26 -0.41 0.00 3.32 -1.47 -2.70 116.42 115.64 1hwk h ASP 601 Ca 0.05 -0.78 -0.01 0.00 0.02 0.00 0.00 57.03 56.31 1hwk h ASP 601 Cb 0.33 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1hwk h ASP 601 CO 0.02 1.00 0.23 0.77 -1.72 0.00 0.00 179.24 179.55 1hwk h SER 602 N -0.45 0.53 -0.51 6.45 4.64 -1.16 -0.63 113.55 122.42 1hwk h SER 602 Ca -0.04 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1hwk h SER 602 Cb 1.05 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1hwk h SER 602 CO 0.06 0.44 0.10 0.00 -0.87 0.00 0.00 176.83 176.55 1hwk h ALA 603 N 1.65 1.12 -0.53 5.18 0.00 -1.02 -1.01 119.26 124.65 1hwk h ALA 603 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1hwk h ALA 603 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1hwk h ALA 603 CO -0.03 0.58 -0.05 1.49 0.00 0.00 0.00 179.25 181.24 1hwk h GLU 604 N 0.84 0.95 -0.52 0.00 4.81 -0.81 -1.52 114.58 118.34 1hwk h GLU 604 Ca 0.18 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1hwk h GLU 604 Cb 0.36 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1hwk h GLU 604 CO 0.01 0.97 -0.09 0.28 -0.73 0.00 0.00 179.01 179.45 1hwk h VAL 605 N 0.87 1.26 -0.45 0.32 2.07 -0.77 -0.43 116.25 119.13 1hwk h VAL 605 Ca 0.15 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1hwk h VAL 605 Cb 0.58 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1hwk h VAL 605 CO 0.04 0.43 0.18 0.50 0.02 0.00 0.00 177.57 178.74 1hwk h LYS 606 N 0.86 0.66 -0.64 1.57 3.64 -0.88 -0.23 116.57 121.56 1hwk h LYS 606 Ca 0.14 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1hwk h LYS 606 Cb 0.63 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1hwk h LYS 606 CO 0.04 0.60 0.06 0.00 -2.27 0.00 0.00 179.45 177.88 1hwk h ALA 607 N 1.03 0.85 -0.45 5.00 0.00 -1.08 -2.38 119.26 122.23 1hwk h ALA 607 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1hwk h ALA 607 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1hwk h ALA 607 CO -0.01 0.66 0.22 2.35 0.00 0.00 0.00 179.25 182.47 1hwk h TRP 608 N 1.00 0.64 0.00 0.00 7.01 -0.76 -2.39 115.95 121.45 1hwk h TRP 608 Ca 0.19 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1hwk h TRP 608 Cb 0.50 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1hwk h TRP 608 CO 0.04 0.51 0.00 -0.07 -2.79 0.00 0.00 178.44 176.13 1hwk h LEU 609 N 0.59 0.00 -1.44 0.65 3.38 -0.83 -2.64 115.31 115.02 1hwk h LEU 609 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1hwk h LEU 609 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1hwk h LEU 609 CO -0.02 0.00 -0.06 -0.62 0.09 0.00 0.00 178.44 177.83 1hwk n GLU 610 N -2.54 1.92 -2.27 1.13 1.02 -0.91 -4.20 120.64 114.80 1hwk n GLU 610 Ca 0.01 -1.44 -0.29 0.00 -0.02 0.00 0.00 57.16 55.42 1hwk n GLU 610 Cb 0.20 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1hwk n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1hwk s THR 611 N -2.07 4.51 0.27 2.62 -4.23 -0.99 -4.98 115.64 110.77 1hwk s THR 611 Ca 0.30 0.43 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 1hwk s THR 611 Cb 0.20 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 1hwk s THR 611 CO 0.35 -0.87 1.62 0.77 -0.54 0.00 0.00 174.62 175.94 1hwk h SER 612 N -0.11 0.08 -0.07 3.99 4.64 -1.91 -2.66 113.55 117.52 1hwk h SER 612 Ca -0.45 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1hwk h SER 612 Cb 1.21 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1hwk h SER 612 CO 0.62 0.65 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.83 1hwk h GLU 613 N 0.05 0.16 -0.60 4.77 3.07 -1.94 -2.29 114.58 117.81 1hwk h GLU 613 Ca -0.01 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1hwk h GLU 613 Cb 1.06 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 1hwk h GLU 613 CO 0.08 0.61 0.32 0.78 -1.40 0.00 0.00 179.01 179.40 1hwk h GLY 614 N -0.27 0.91 0.96 -3.84 0.00 -1.70 -2.71 103.07 96.42 1hwk h GLY 614 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1hwk h GLY 614 CO 0.02 0.41 0.20 -2.75 0.00 0.00 0.00 176.54 174.42 1hwk h PHE 615 N 0.82 0.59 -0.61 5.60 3.57 -1.50 -2.01 116.94 123.41 1hwk h PHE 615 Ca 0.21 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1hwk h PHE 615 Cb 0.07 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1hwk h PHE 615 CO -0.01 0.48 0.36 0.00 -2.23 0.00 0.00 178.31 176.91 1hwk h ALA 616 N 1.05 0.79 -0.67 2.41 0.00 -1.29 0.53 119.26 122.09 1hwk h ALA 616 Ca 0.14 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1hwk h ALA 616 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1hwk h ALA 616 CO -0.02 0.07 0.14 -0.24 0.00 0.00 0.00 179.25 179.21 1hwk h VAL 617 N 0.69 1.26 -0.33 0.00 3.04 -1.34 0.13 116.25 119.71 1hwk h VAL 617 Ca 0.25 -0.98 -0.04 0.00 -1.01 0.00 0.00 66.70 64.92 1hwk h VAL 617 Cb 0.07 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1hwk h VAL 617 CO -0.13 0.37 0.05 0.40 -1.01 0.00 0.00 177.57 177.26 1hwk h ILE 618 N 1.01 1.24 -0.84 3.17 1.08 -0.60 -1.72 117.51 120.84 1hwk h ILE 618 Ca 0.21 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1hwk h ILE 618 Cb 0.39 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1hwk h ILE 618 CO 0.01 0.27 0.55 0.50 -0.69 0.00 0.00 178.15 178.79 1hwk h LYS 619 N 0.38 1.08 0.14 2.37 3.64 0.31 -0.93 116.57 123.56 1hwk h LYS 619 Ca 0.10 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1hwk h LYS 619 Cb 0.35 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1hwk h LYS 619 CO 0.01 0.72 -0.23 1.49 -2.27 0.00 0.00 179.45 179.17 1hwk h GLU 620 N 1.11 -0.42 -0.36 1.90 4.81 -0.29 0.24 114.58 121.58 1hwk h GLU 620 Ca 0.32 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1hwk h GLU 620 Cb -0.09 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1hwk h GLU 620 CO -0.08 -0.28 -0.06 0.00 -0.73 0.00 0.00 179.01 177.86 1hwk h ALA 621 N 0.33 1.22 0.16 2.92 0.00 -1.09 -2.75 119.26 120.05 1hwk h ALA 621 Ca 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1hwk h ALA 621 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hwk h ALA 621 CO -0.11 0.51 -0.08 0.35 0.00 0.00 0.00 179.25 179.92 1hwk h PHE 622 N 0.56 -0.20 0.00 0.00 3.57 -0.72 -3.23 116.94 116.92 1hwk h PHE 622 Ca 0.11 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1hwk h PHE 622 Cb 0.45 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1hwk h PHE 622 CO 0.02 0.15 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.74 1hwk h ASP 623 N -0.57 0.00 0.43 0.41 5.19 -0.49 -3.00 116.42 118.39 1hwk h ASP 623 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1hwk h ASP 623 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1hwk h ASP 623 CO 0.04 0.07 0.00 -1.54 -3.12 0.00 0.00 179.24 174.68 1hwk n SER 624 N -3.52 0.00 0.09 6.45 3.41 -1.04 -2.94 113.62 116.07 1hwk n SER 624 Ca -0.02 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1hwk n SER 624 Cb 0.19 -0.39 0.11 0.00 -0.26 0.00 0.00 64.21 63.86 1hwk n SER 624 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1hwk h THR 625 N 0.00 0.00 -3.18 6.66 1.35 -1.69 -3.48 112.91 112.56 1hwk h THR 625 Ca 0.00 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 65.11 1hwk h THR 625 Cb 0.22 1.28 -0.14 0.00 -1.73 0.00 0.00 68.15 67.78 1hwk h THR 625 CO 0.00 0.00 -0.00 -0.55 -0.25 0.00 0.00 175.52 174.72 1hwk s SER 626 N -4.76 -0.33 0.18 5.36 0.15 -1.15 -4.99 113.70 108.15 1hwk s SER 626 Ca 0.04 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.50 1hwk s SER 626 Cb 0.11 0.50 0.07 0.00 -1.71 0.00 0.00 66.02 64.99 1hwk s SER 626 CO 0.74 -0.84 1.47 0.03 1.20 0.00 0.00 173.24 175.85 1hwk h ARG 627 N 2.43 0.56 0.00 5.44 3.08 -1.93 -3.26 114.38 120.69 1hwk h ARG 627 Ca -0.33 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.34 1hwk h ARG 627 Cb 1.25 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1hwk h ARG 627 CO 0.44 1.00 -0.83 1.19 -1.07 0.00 0.00 179.97 180.69 1hwk n PHE 628 N -3.94 0.09 -2.22 3.04 3.01 -1.26 -4.85 117.46 111.33 1hwk n PHE 628 Ca -0.04 0.03 -0.40 0.00 1.01 0.00 0.00 57.45 58.05 1hwk n PHE 628 Cb 0.64 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1hwk n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hwk s ALA 629 N -3.07 2.41 -0.41 4.37 0.00 -1.23 -4.10 121.76 119.73 1hwk s ALA 629 Ca 0.08 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1hwk s ALA 629 Cb 0.16 -4.27 0.12 0.00 0.00 0.00 0.00 23.12 19.13 1hwk s ALA 629 CO 0.79 -3.62 0.16 1.03 0.00 0.00 0.00 175.76 174.12 1hwk s ARG 630 N 6.51 1.40 -0.15 0.00 1.81 -1.25 -4.22 118.95 123.05 1hwk s ARG 630 Ca 0.57 -1.94 -0.37 0.00 -1.72 0.00 0.00 55.73 52.27 1hwk s ARG 630 Cb -0.11 -2.75 -0.14 0.00 -0.45 0.00 0.00 34.95 31.50 1hwk s ARG 630 CO 0.19 -1.05 1.80 -0.11 -0.68 0.00 0.00 175.30 175.45 1hwk n LEU 631 N 3.88 2.96 -0.07 2.53 7.94 -1.26 -3.50 117.00 129.48 1hwk n LEU 631 Ca 0.04 1.02 -0.22 0.00 -1.11 0.00 0.00 56.01 55.74 1hwk n LEU 631 Cb 0.37 -1.28 -0.12 0.00 0.53 0.00 0.00 43.42 42.92 1hwk n LEU 631 CO 0.24 -0.24 -0.69 0.00 -1.11 0.00 0.00 177.39 175.59 1hwk n GLN 632 N 5.88 0.63 -3.79 1.96 6.02 0.76 -4.99 117.38 123.86 1hwk n GLN 632 Ca 0.24 0.45 -0.04 0.00 -0.01 0.00 0.00 57.00 57.63 1hwk n GLN 632 Cb 0.23 -1.72 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 1hwk n GLN 632 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1hwk s LYS 633 N -2.44 1.38 -0.06 -1.09 -2.85 -1.22 -5.05 119.74 108.41 1hwk s LYS 633 Ca -0.27 -0.80 0.01 0.00 -1.00 0.00 0.00 55.97 53.91 1hwk s LYS 633 Cb 0.07 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1hwk s LYS 633 CO 0.64 -0.64 -0.07 -0.51 0.10 0.00 0.00 175.35 174.88 1hwk s LEU 634 N -3.01 1.36 -0.22 2.77 1.02 -1.26 -2.68 118.68 116.65 1hwk s LEU 634 Ca 0.14 -0.20 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 1hwk s LEU 634 Cb -0.03 -0.61 0.03 0.00 0.02 0.00 0.00 46.19 45.60 1hwk s LEU 634 CO 0.04 -0.04 -0.12 -2.28 0.02 0.00 0.00 176.35 173.97 1hwk s HIS 635 N 1.00 2.99 0.11 0.29 5.65 -1.07 -4.98 115.29 119.29 1hwk s HIS 635 Ca -0.09 -1.66 0.05 0.00 0.25 0.00 0.00 55.06 53.61 1hwk s HIS 635 Cb -0.14 -1.99 -0.04 0.00 -1.18 0.00 0.00 32.58 29.22 1hwk s HIS 635 CO -0.00 -0.76 0.02 0.95 -0.65 0.00 0.00 174.74 174.29 1hwk s THR 636 N 1.29 4.06 -0.07 0.89 -4.23 -1.26 -0.26 115.64 116.05 1hwk s THR 636 Ca 0.01 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1hwk s THR 636 Cb -0.16 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.74 1hwk s THR 636 CO -0.07 0.06 0.18 -0.55 -0.54 0.00 0.00 174.62 173.70 1hwk s SER 637 N -2.51 -0.18 -0.06 3.99 0.15 0.06 -4.99 113.70 110.16 1hwk s SER 637 Ca 0.27 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 1hwk s SER 637 Cb -0.11 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1hwk s SER 637 CO 0.19 -0.10 0.05 -0.63 1.20 0.00 0.00 173.24 173.95 1hwk s ILE 638 N 0.56 4.59 -0.39 6.45 1.01 -1.26 -0.68 121.20 131.49 1hwk s ILE 638 Ca -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1hwk s ILE 638 Cb -0.05 -3.01 0.15 0.00 0.01 0.00 0.00 42.46 39.56 1hwk s ILE 638 CO -0.03 0.51 0.26 0.00 0.00 0.00 0.00 174.94 175.68 1hwk s ALA 639 N -1.02 1.32 0.00 9.38 0.00 -0.86 -5.02 121.76 125.57 1hwk s ALA 639 Ca 0.17 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.94 1hwk s ALA 639 Cb -0.12 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1hwk s ALA 639 CO 0.07 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.17 1hwk n GLY 640 N 3.58 3.14 0.19 0.00 0.00 -1.26 -1.36 105.19 109.48 1hwk n GLY 640 Ca 0.17 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1hwk n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hwk n ARG 641 N 13.48 1.17 -3.22 1.61 1.85 -1.26 -4.39 116.66 125.90 1hwk n ARG 641 Ca 0.00 -0.39 -0.33 0.00 -1.00 0.00 0.00 57.85 56.13 1hwk n ARG 641 Cb 0.00 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 29.86 1hwk n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1hwk s ASN 642 N -2.09 6.79 -0.06 2.89 -0.87 -0.47 -1.51 114.94 119.61 1hwk s ASN 642 Ca 0.41 1.20 -0.01 0.00 -1.57 0.00 0.00 52.86 52.89 1hwk s ASN 642 Cb 0.21 -2.34 0.03 0.00 -0.02 0.00 0.00 41.25 39.13 1hwk s ASN 642 CO 0.38 -0.11 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.57 1hwk s LEU 643 N -2.69 0.83 -0.20 0.60 2.96 0.28 -2.03 118.68 118.43 1hwk s LEU 643 Ca 0.49 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1hwk s LEU 643 Cb -0.12 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1hwk s LEU 643 CO 0.19 -0.15 0.06 -0.31 -1.32 0.00 0.00 176.35 174.82 1hwk s TYR 644 N 1.63 3.18 -0.20 5.38 1.51 0.15 -1.06 117.35 127.94 1hwk s TYR 644 Ca -0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1hwk s TYR 644 Cb -0.13 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1hwk s TYR 644 CO -0.04 -0.02 -0.17 0.42 -1.11 0.00 0.00 175.55 174.63 1hwk s ILE 645 N 0.77 2.13 -0.50 2.71 1.01 -0.93 -0.76 121.20 125.63 1hwk s ILE 645 Ca 0.03 -1.12 -0.19 0.00 0.00 0.00 0.00 60.65 59.37 1hwk s ILE 645 Cb -0.14 -2.00 0.06 0.00 0.01 0.00 0.00 42.46 40.40 1hwk s ILE 645 CO 0.02 0.38 0.61 -0.60 0.00 0.00 0.00 174.94 175.35 1hwk s ARG 646 N 1.24 3.12 -0.05 2.79 3.52 0.64 -2.96 118.95 127.25 1hwk s ARG 646 Ca 0.01 -0.89 -0.23 0.00 -0.13 0.00 0.00 55.73 54.49 1hwk s ARG 646 Cb -0.15 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.11 1hwk s ARG 646 CO -0.11 -1.19 0.69 -0.06 -0.81 0.00 0.00 175.30 173.82 1hwk s PHE 647 N 2.57 3.60 -0.08 5.12 0.40 0.01 -2.59 117.98 127.01 1hwk s PHE 647 Ca 0.15 1.25 0.03 0.00 -0.60 0.00 0.00 56.93 57.75 1hwk s PHE 647 Cb -0.19 -2.77 0.01 0.00 0.51 0.00 0.00 43.02 40.57 1hwk s PHE 647 CO 0.12 0.14 -0.16 -1.14 0.70 0.00 0.00 175.22 174.88 1hwk s GLN 648 N 0.61 2.12 0.00 0.44 0.74 -1.09 -2.06 119.66 120.43 1hwk s GLN 648 Ca 0.36 -0.56 -0.18 0.00 0.05 0.00 0.00 55.36 55.04 1hwk s GLN 648 Cb -0.18 -1.69 0.03 0.00 1.10 0.00 0.00 33.01 32.27 1hwk s GLN 648 CO 0.18 0.07 0.40 0.45 -0.55 0.00 0.00 175.29 175.84 1hwk s SER 649 N 0.59 -0.29 0.83 6.67 0.15 -0.54 -0.17 113.70 120.95 1hwk s SER 649 Ca -0.15 0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.51 1hwk s SER 649 Cb -0.16 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.62 1hwk s SER 649 CO 0.05 -0.56 1.11 -0.13 1.20 0.00 0.00 173.24 174.91 1hwk s ARG 650 N -1.79 1.81 -0.20 5.44 0.52 -1.23 -1.45 118.95 122.05 1hwk s ARG 650 Ca -0.10 0.53 0.14 0.00 -0.52 0.00 0.00 55.73 55.79 1hwk s ARG 650 Cb -0.03 -1.90 0.35 0.00 0.52 0.00 0.00 34.95 33.90 1hwk s ARG 650 CO 0.02 -1.79 1.27 -1.13 0.02 0.00 0.00 175.30 173.70 1hwk n SER 651 N -3.53 -0.27 0.00 0.23 3.41 -1.26 -3.96 113.62 108.25 1hwk n SER 651 Ca 0.07 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1hwk n SER 651 Cb 0.57 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1hwk n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hwk n GLY 652 N -0.70 3.33 0.78 5.00 0.00 -1.26 -1.60 105.19 110.74 1hwk n GLY 652 Ca -0.11 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1hwk n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hwk n ASP 653 N 3.11 2.34 -4.85 1.61 8.00 -1.26 -3.85 116.55 121.64 1hwk n ASP 653 Ca 0.00 -1.82 -0.32 0.00 0.71 0.00 0.00 54.79 53.36 1hwk n ASP 653 Cb 0.00 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 1hwk n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hwk s ALA 654 N -1.71 3.32 0.35 2.24 0.00 -0.63 -0.19 121.76 125.16 1hwk s ALA 654 Ca 0.34 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1hwk s ALA 654 Cb 0.19 -2.76 0.67 0.00 0.00 0.00 0.00 23.12 21.22 1hwk s ALA 654 CO 0.28 0.32 1.99 1.98 0.00 0.00 0.00 175.76 180.33 1hwk h MET 655 N 2.20 0.80 0.00 0.00 4.05 -1.75 -3.43 114.93 116.80 1hwk h MET 655 Ca -0.48 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1hwk h MET 655 Cb 1.17 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 1hwk h MET 655 CO 0.65 0.53 0.00 0.41 0.23 0.00 0.00 176.91 178.73 1hwk n GLY 656 N -1.44 0.59 0.45 1.39 0.00 -1.26 -4.74 105.19 100.17 1hwk n GLY 656 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1hwk n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1hwk h MET 657 N 4.40 -0.77 -0.79 1.61 2.86 -1.94 0.11 114.93 120.41 1hwk h MET 657 Ca 0.00 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1hwk h MET 657 Cb 0.00 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1hwk h MET 657 CO 0.00 -0.51 0.51 -0.91 1.06 0.00 0.00 176.91 177.06 1hwk h ASN 658 N -0.80 0.85 0.12 1.22 2.35 -1.99 -0.17 115.58 117.17 1hwk h ASN 658 Ca -0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1hwk h ASN 658 Cb 0.76 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1hwk h ASN 658 CO -0.17 0.59 -0.06 -0.03 -1.65 0.00 0.00 177.43 176.11 1hwk h MET 659 N 1.00 -0.16 -0.16 0.81 4.05 -1.94 -1.23 114.93 117.30 1hwk h MET 659 Ca 0.31 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.70 1hwk h MET 659 Cb -0.01 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1hwk h MET 659 CO -0.10 0.05 -0.11 0.82 0.23 0.00 0.00 176.91 177.79 1hwk h ILE 660 N -0.35 1.17 -0.26 1.77 5.03 -0.61 -1.71 117.51 122.56 1hwk h ILE 660 Ca -0.02 -0.74 -0.04 0.00 -0.12 0.00 0.00 64.86 63.94 1hwk h ILE 660 Cb 0.28 1.17 -0.01 0.00 -3.03 0.00 0.00 36.82 35.23 1hwk h ILE 660 CO 0.03 0.23 -0.00 0.28 -0.68 0.00 0.00 178.15 178.01 1hwk h SER 661 N 0.24 0.45 -0.19 1.72 0.02 -0.82 0.84 113.55 115.82 1hwk h SER 661 Ca 0.05 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1hwk h SER 661 Cb 0.35 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1hwk h SER 661 CO 0.02 0.65 0.10 0.11 -1.14 0.00 0.00 176.83 176.57 1hwk h LYS 662 N 0.24 0.21 -0.78 3.45 1.57 -0.93 -0.89 116.57 119.44 1hwk h LYS 662 Ca 0.07 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1hwk h LYS 662 Cb 0.42 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1hwk h LYS 662 CO 0.01 0.14 0.50 0.78 -0.57 0.00 0.00 179.45 180.31 1hwk h GLY 663 N 0.21 1.12 1.00 3.86 0.00 -1.16 -2.61 103.07 105.50 1hwk h GLY 663 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1hwk h GLY 663 CO -0.04 0.33 0.35 -0.84 0.00 0.00 0.00 176.54 176.34 1hwk h THR 664 N 0.98 1.21 -0.67 4.70 2.02 -0.28 -1.33 112.91 119.54 1hwk h THR 664 Ca 0.31 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1hwk h THR 664 Cb -0.01 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1hwk h THR 664 CO -0.10 0.23 0.30 -0.33 0.37 0.00 0.00 175.52 175.99 1hwk h GLU 665 N 0.89 0.98 -0.28 6.66 5.08 -0.87 0.42 114.58 127.46 1hwk h GLU 665 Ca 0.23 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1hwk h GLU 665 Cb 0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1hwk h GLU 665 CO -0.03 0.80 -0.42 -0.22 -1.00 0.00 0.00 179.01 178.13 1hwk h LYS 666 N 0.94 0.69 -0.52 2.33 3.64 -1.29 -1.10 116.57 121.26 1hwk h LYS 666 Ca 0.23 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1hwk h LYS 666 Cb 0.16 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1hwk h LYS 666 CO -0.02 0.99 0.16 0.00 -2.27 0.00 0.00 179.45 178.30 1hwk h ALA 667 N 0.96 0.69 -0.08 5.00 0.00 -1.01 -0.47 119.26 124.35 1hwk h ALA 667 Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1hwk h ALA 667 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1hwk h ALA 667 CO 0.09 0.35 -0.30 -0.07 0.00 0.00 0.00 179.25 179.32 1hwk h LEU 668 N 0.72 0.15 -0.21 0.00 3.38 -0.71 0.17 115.31 118.81 1hwk h LEU 668 Ca 0.17 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1hwk h LEU 668 Cb 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1hwk h LEU 668 CO -0.00 0.46 -0.05 -1.28 0.09 0.00 0.00 178.44 177.65 1hwk h SER 669 N 0.14 0.41 -0.79 -0.43 0.87 -0.80 -1.38 113.55 111.58 1hwk h SER 669 Ca 0.02 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1hwk h SER 669 Cb 0.61 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 1hwk h SER 669 CO 0.04 0.68 0.42 0.50 -0.53 0.00 0.00 176.83 177.94 1hwk h LYS 670 N 0.14 1.11 -0.45 2.24 1.63 -0.58 -2.33 116.57 118.32 1hwk h LYS 670 Ca 0.05 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1hwk h LYS 670 Cb 0.49 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1hwk h LYS 670 CO 0.02 0.83 0.14 1.25 -3.45 0.00 0.00 179.45 178.24 1hwk h LEU 671 N 1.10 0.61 -1.53 5.20 5.85 -0.50 -2.09 115.31 123.95 1hwk h LEU 671 Ca 0.28 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1hwk h LEU 671 Cb 0.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1hwk h LEU 671 CO -0.04 0.59 0.00 -0.74 -0.34 0.00 0.00 178.44 177.90 1hwk h HIS 672 N 0.65 0.00 0.00 1.25 2.76 -0.69 -1.70 115.15 117.42 1hwk h HIS 672 Ca 0.15 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.18 1hwk h HIS 672 Cb 0.20 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1hwk h HIS 672 CO 0.01 0.00 -0.70 0.93 -1.30 0.00 0.00 177.93 176.87 1hwk h GLU 673 N 0.00 0.00 0.00 5.26 5.08 -1.26 -2.66 114.58 121.00 1hwk h GLU 673 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1hwk h GLU 673 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1hwk h GLU 673 CO 0.00 0.70 -1.53 1.88 -1.00 0.00 0.00 179.01 179.06 1hwk h TYR 674 N 0.00 0.00 -2.67 4.33 -1.99 -1.47 -3.41 116.97 111.76 1hwk h TYR 674 Ca -0.01 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.12 1hwk h TYR 674 Cb 1.44 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.77 1hwk h TYR 674 CO 0.00 0.90 -0.78 1.19 -0.00 0.00 0.00 178.16 179.47 1hwk n PHE 675 N -3.06 1.23 0.25 4.88 3.01 -0.70 -4.97 117.46 118.11 1hwk n PHE 675 Ca -0.13 -3.82 0.16 0.00 1.01 0.00 0.00 57.45 54.67 1hwk n PHE 675 Cb 0.99 -0.21 0.87 0.00 -0.01 0.00 0.00 39.48 41.12 1hwk n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hwk h PRO 676 N 5.38 0.00 0.00 -1.08 0.13 -1.72 -1.71 132.00 132.99 1hwk h PRO 676 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1hwk h PRO 676 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1hwk h PRO 676 CO 0.56 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1hwk n GLU 677 N -3.82 0.31 -2.32 0.86 1.02 -1.26 -4.84 120.64 110.58 1hwk n GLU 677 Ca -0.01 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1hwk n GLU 677 Cb 0.21 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 1hwk n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1hwk s MET 678 N -2.69 4.38 -0.21 3.49 1.75 -0.64 -4.57 119.30 120.80 1hwk s MET 678 Ca 0.24 1.88 -0.08 0.00 -1.25 0.00 0.00 55.69 56.49 1hwk s MET 678 Cb 0.19 -3.35 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 1hwk s MET 678 CO 0.47 -0.36 0.08 -1.14 -0.65 0.00 0.00 175.02 173.42 1hwk s GLN 679 N 1.28 3.89 -0.63 4.11 0.74 0.07 -4.95 119.66 124.17 1hwk s GLN 679 Ca 0.61 -0.38 -0.23 0.00 0.05 0.00 0.00 55.36 55.41 1hwk s GLN 679 Cb -0.32 -3.29 0.06 0.00 1.10 0.00 0.00 33.01 30.56 1hwk s GLN 679 CO 0.29 0.10 0.98 0.42 -0.55 0.00 0.00 175.29 176.54 1hwk s ILE 680 N 0.85 4.29 0.08 -2.34 1.01 -1.26 -0.55 121.20 123.28 1hwk s ILE 680 Ca 0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 1hwk s ILE 680 Cb -0.14 -4.66 -0.17 0.00 0.01 0.00 0.00 42.46 37.51 1hwk s ILE 680 CO 0.02 -1.39 1.28 0.25 0.00 0.00 0.00 174.94 175.10 1hwk h LEU 681 N 11.39 0.83 -7.00 2.97 5.85 -1.72 -3.47 115.31 124.15 1hwk h LEU 681 Ca -0.28 -0.63 0.05 0.00 0.84 0.00 0.00 57.88 57.86 1hwk h LEU 681 Cb 1.07 -0.24 -0.24 0.00 0.37 0.00 0.00 40.66 41.61 1hwk h LEU 681 CO 1.16 1.32 0.27 0.00 -0.34 0.00 0.00 178.44 180.86 1hwk s ALA 682 N -3.73 -2.02 0.62 1.25 0.00 -1.05 -5.01 121.76 111.82 1hwk s ALA 682 Ca -0.11 2.15 0.34 0.00 0.00 0.00 0.00 51.96 54.34 1hwk s ALA 682 Cb 0.07 -1.49 2.01 0.00 0.00 0.00 0.00 23.12 23.72 1hwk s ALA 682 CO 0.88 -0.33 2.28 -0.24 0.00 0.00 0.00 175.76 178.35 1hwk h VAL 683 N 4.48 0.35 -3.39 0.00 3.04 -1.90 -1.84 116.25 116.99 1hwk h VAL 683 Ca -0.29 0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 64.82 1hwk h VAL 683 Cb 1.19 0.99 -0.38 0.00 -2.01 0.00 0.00 31.29 31.08 1hwk h VAL 683 CO 0.14 0.00 -0.80 -0.55 -1.01 0.00 0.00 177.57 175.36 1hwk s SER 684 N -5.81 3.13 -0.28 3.17 0.15 -1.26 -2.81 113.70 110.00 1hwk s SER 684 Ca -0.05 -0.80 0.12 0.00 0.70 0.00 0.00 55.95 55.92 1hwk s SER 684 Cb 0.14 -1.04 0.70 0.00 -1.71 0.00 0.00 66.02 64.11 1hwk s SER 684 CO 0.50 -0.18 1.69 0.61 1.20 0.00 0.00 173.24 177.06 1hwk n GLY 685 N 4.79 3.75 2.47 9.45 0.00 0.65 -4.71 105.19 121.59 1hwk n GLY 685 Ca -0.13 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1hwk n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hwk n ASN 686 N -0.19 -4.77 -1.21 1.61 4.13 -1.25 -4.85 115.26 108.74 1hwk n ASN 686 Ca 0.34 0.27 0.12 0.00 1.68 0.00 0.00 54.58 56.99 1hwk n ASN 686 Cb 1.22 -3.23 0.24 0.00 -1.54 0.00 0.00 39.78 36.47 1hwk n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hwk n TYR 687 N -2.53 0.61 0.43 3.10 9.36 -1.20 -4.62 117.16 122.31 1hwk n TYR 687 Ca -0.11 -0.31 -0.17 0.00 3.32 0.00 0.00 57.90 60.63 1hwk n TYR 687 Cb 0.43 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.06 1hwk n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1hwk s THR 689 N -5.24 3.86 -0.23 0.00 2.01 -1.26 -4.73 115.64 110.05 1hwk s THR 689 Ca -0.16 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1hwk s THR 689 Cb 0.02 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1hwk s THR 689 CO 0.49 0.56 0.12 -0.62 -0.69 0.00 0.00 174.62 174.47 1hwk s ASP 690 N -0.38 5.78 -2.13 3.53 2.15 -1.26 -4.61 116.67 119.74 1hwk s ASP 690 Ca 0.06 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1hwk s ASP 690 Cb -0.12 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1hwk s ASP 690 CO 0.02 0.07 0.00 0.29 -0.17 0.00 0.00 175.17 175.38 1hwk n LYS 691 N 4.26 -1.45 -4.10 4.34 5.02 -1.26 -4.99 118.16 119.98 1hwk n LYS 691 Ca -0.16 1.20 -0.14 0.00 -2.02 0.00 0.00 58.31 57.19 1hwk n LYS 691 Cb 0.52 -5.60 -0.13 0.00 -0.02 0.00 0.00 35.03 29.81 1hwk n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1hwk s LYS 692 N -3.88 0.48 0.30 1.97 3.01 -1.26 -4.94 119.74 115.42 1hwk s LYS 692 Ca 0.00 -0.51 -0.29 0.00 -1.01 0.00 0.00 55.97 54.16 1hwk s LYS 692 Cb 0.00 -0.34 -0.10 0.00 -1.01 0.00 0.00 37.83 36.37 1hwk s LYS 692 CO 0.00 0.08 1.45 -1.25 0.51 0.00 0.00 175.35 176.13 1hwk s PRO 693 N -0.94 4.23 -0.24 -1.68 0.04 -1.26 -4.75 135.00 130.41 1hwk s PRO 693 Ca -0.05 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 63.21 1hwk s PRO 693 Cb -0.06 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.48 1hwk s PRO 693 CO 0.00 -0.43 0.60 0.00 0.04 0.00 0.00 177.00 177.21 1hwk s ALA 694 N -0.44 -1.55 0.51 8.56 0.00 -1.26 -5.02 121.76 122.56 1hwk s ALA 694 Ca 0.57 1.96 0.20 0.00 0.00 0.00 0.00 51.96 54.69 1hwk s ALA 694 Cb -0.43 -1.16 1.37 0.00 0.00 0.00 0.00 23.12 22.89 1hwk s ALA 694 CO 0.50 -0.32 2.14 0.00 0.00 0.00 0.00 175.76 178.07 1hwk h ALA 695 N 6.38 1.76 -0.44 0.00 0.00 -1.95 -2.51 119.26 122.51 1hwk h ALA 695 Ca -0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1hwk h ALA 695 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1hwk h ALA 695 CO 0.18 0.06 0.17 0.97 0.00 0.00 0.00 179.25 180.63 1hwk h ILE 696 N 0.00 1.17 -0.12 0.00 2.10 -1.98 -0.43 117.51 118.25 1hwk h ILE 696 Ca -0.00 -0.52 -0.17 0.00 1.08 0.00 0.00 64.86 65.25 1hwk h ILE 696 Cb 0.10 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 36.47 1hwk h ILE 696 CO 0.01 0.20 -0.64 0.78 -1.08 0.00 0.00 178.15 177.42 1hwk h ASN 697 N 0.62 0.53 -0.32 2.19 2.35 -1.73 -0.83 115.58 118.39 1hwk h ASN 697 Ca 0.15 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1hwk h ASN 697 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1hwk h ASN 697 CO -0.01 1.03 -0.14 -0.25 -1.65 0.00 0.00 177.43 176.40 1hwk h TRP 698 N 0.34 0.77 0.19 1.19 2.91 -1.39 -0.43 115.95 119.52 1hwk h TRP 698 Ca -0.01 -0.19 -0.33 0.00 1.13 0.00 0.00 58.89 59.49 1hwk h TRP 698 Cb 1.20 -0.18 0.01 0.00 -0.51 0.00 0.00 29.16 29.68 1hwk h TRP 698 CO 0.04 0.88 -1.55 0.82 -1.03 0.00 0.00 178.44 177.61 1hwk h ILE 699 N 0.44 1.17 -0.01 2.65 2.04 -1.11 -3.39 117.51 119.30 1hwk h ILE 699 Ca 0.07 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.22 1hwk h ILE 699 Cb 0.67 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1hwk h ILE 699 CO 0.05 0.84 -0.49 -0.62 0.00 0.00 0.00 178.15 177.93 1hwk n GLU 700 N -3.59 1.93 -0.14 2.37 1.02 -0.32 -5.10 120.64 116.82 1hwk n GLU 700 Ca -0.18 -0.43 0.02 0.00 -0.02 0.00 0.00 57.16 56.55 1hwk n GLU 700 Cb 1.07 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 31.26 1hwk n GLU 700 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hwk n GLY 701 N 1.22 -2.60 3.59 0.62 0.00 -0.17 -5.02 105.19 102.84 1hwk n GLY 701 Ca 0.05 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 1hwk n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hwk s ARG 702 N -2.98 0.68 7.22 1.61 3.52 -1.06 -4.70 118.95 123.23 1hwk s ARG 702 Ca 0.00 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1hwk s ARG 702 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1hwk s ARG 702 CO 0.00 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 1hwk n GLY 703 N 4.24 2.00 3.54 8.12 0.00 0.73 -3.30 105.19 120.51 1hwk n GLY 703 Ca -0.20 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1hwk n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwk s LYS 704 N 0.00 3.80 -0.19 1.61 1.02 0.26 -0.07 119.74 126.16 1hwk s LYS 704 Ca 0.00 -0.42 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 1hwk s LYS 704 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1hwk s LYS 704 CO 0.00 0.06 0.33 -1.12 -0.92 0.00 0.00 175.35 173.70 1hwk s SER 705 N 0.95 6.39 0.05 2.83 0.01 -0.28 -1.13 113.70 122.51 1hwk s SER 705 Ca 0.03 0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.77 1hwk s SER 705 Cb -0.14 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1hwk s SER 705 CO 0.03 0.00 -0.07 -0.69 0.41 0.00 0.00 173.24 172.91 1hwk s VAL 706 N 1.00 0.54 0.00 3.43 1.01 0.61 -0.20 120.40 126.79 1hwk s VAL 706 Ca 0.17 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1hwk s VAL 706 Cb -0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1hwk s VAL 706 CO 0.06 -0.44 -0.05 0.54 0.00 0.00 0.00 175.10 175.21 1hwk s VAL 707 N -1.64 0.40 0.04 2.92 0.11 -0.71 -0.46 120.40 121.06 1hwk s VAL 707 Ca -0.08 -0.29 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1hwk s VAL 707 Cb -0.08 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1hwk s VAL 707 CO -0.00 0.06 0.01 0.00 -3.33 0.00 0.00 175.10 171.84 1hwk s GLU 709 N -2.90 1.13 -0.02 0.00 -1.05 -0.02 -1.55 118.70 114.30 1hwk s GLU 709 Ca -0.03 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 53.50 1hwk s GLU 709 Cb 0.01 0.41 0.10 0.00 -0.44 0.00 0.00 34.13 34.21 1hwk s GLU 709 CO -0.06 -0.42 0.87 0.00 0.95 0.00 0.00 175.26 176.60 1hwk s ALA 710 N -3.90 -1.82 -0.12 -0.84 0.00 -0.53 -1.50 121.76 113.04 1hwk s ALA 710 Ca 0.11 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1hwk s ALA 710 Cb 0.03 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1hwk s ALA 710 CO -0.04 -0.63 -0.20 0.08 0.00 0.00 0.00 175.76 174.96 1hwk s VAL 711 N -2.84 1.89 -0.27 0.00 1.01 -1.26 -1.21 120.40 117.72 1hwk s VAL 711 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1hwk s VAL 711 Cb -0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1hwk s VAL 711 CO -0.07 0.52 0.08 -0.63 0.00 0.00 0.00 175.10 174.99 1hwk s ILE 712 N 0.74 4.22 0.34 2.22 -1.09 0.78 -4.63 121.20 123.78 1hwk s ILE 712 Ca -0.10 -0.36 -0.28 0.00 -2.23 0.00 0.00 60.65 57.68 1hwk s ILE 712 Cb -0.16 -3.05 -0.12 0.00 -1.58 0.00 0.00 42.46 37.55 1hwk s ILE 712 CO 0.01 0.24 1.31 -2.65 -1.23 0.00 0.00 174.94 172.61 1hwk n PRO 713 N 4.91 2.15 -0.32 2.79 -0.02 -1.26 -0.78 135.00 142.48 1hwk n PRO 713 Ca -0.15 0.76 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 1hwk n PRO 713 Cb 0.50 -2.35 0.35 0.00 -0.02 0.00 0.00 33.50 31.98 1hwk n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hwk h ALA 714 N 2.68 1.57 -0.84 3.55 0.00 -1.93 0.11 119.26 124.39 1hwk h ALA 714 Ca -0.46 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1hwk h ALA 714 Cb 1.28 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1hwk h ALA 714 CO 0.63 -0.39 0.43 -0.22 0.00 0.00 0.00 179.25 179.71 1hwk h LYS 715 N 0.39 1.20 -0.47 0.00 3.64 -1.90 -1.00 116.57 118.42 1hwk h LYS 715 Ca 0.60 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.71 1hwk h LYS 715 Cb 1.21 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1hwk h LYS 715 CO -0.55 0.90 -0.15 0.28 -2.27 0.00 0.00 179.45 177.66 1hwk h VAL 716 N 1.19 1.27 -0.60 2.00 2.07 -1.17 0.97 116.25 121.97 1hwk h VAL 716 Ca 0.29 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1hwk h VAL 716 Cb 0.08 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1hwk h VAL 716 CO -0.04 0.44 0.17 0.58 0.02 0.00 0.00 177.57 178.73 1hwk h VAL 717 N 0.80 1.23 0.04 2.57 2.07 -0.99 0.16 116.25 122.13 1hwk h VAL 717 Ca 0.12 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1hwk h VAL 717 Cb 0.68 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1hwk h VAL 717 CO 0.05 0.32 -0.02 0.03 0.02 0.00 0.00 177.57 177.96 1hwk h ARG 718 N 0.89 -0.06 0.14 1.57 3.08 -0.84 -2.18 114.38 116.97 1hwk h ARG 718 Ca 0.20 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.93 1hwk h ARG 718 Cb 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1hwk h ARG 718 CO -0.00 0.44 -1.62 0.93 -1.07 0.00 0.00 179.97 178.65 1hwk h GLU 719 N -0.59 0.29 0.07 0.04 5.08 -0.72 -2.88 114.58 115.88 1hwk h GLU 719 Ca -0.01 -0.49 -0.31 0.00 -1.00 0.00 0.00 59.36 57.55 1hwk h GLU 719 Cb 0.53 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1hwk h GLU 719 CO 0.01 1.16 -1.72 0.28 -1.00 0.00 0.00 179.01 177.74 1hwk n VAL 720 N -3.48 1.68 1.11 3.13 0.31 0.53 -4.46 118.33 117.14 1hwk n VAL 720 Ca -0.19 -0.40 0.12 0.00 -0.01 0.00 0.00 64.34 63.86 1hwk n VAL 720 Cb 1.05 -1.86 0.29 0.00 -0.91 0.00 0.00 33.84 32.41 1hwk n VAL 720 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hwk n LEU 721 N -3.88 0.79 -3.40 7.52 4.77 -1.11 -4.98 117.00 116.72 1hwk n LEU 721 Ca -0.33 -0.16 -0.25 0.00 -0.03 0.00 0.00 56.01 55.25 1hwk n LEU 721 Cb 0.90 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.85 1hwk n LEU 721 CO 0.32 0.17 0.08 0.29 -1.33 0.00 0.00 177.39 176.92 1hwk n LYS 722 N -1.08 -5.63 -1.09 3.23 4.76 -0.86 -4.64 118.16 112.86 1hwk n LYS 722 Ca 0.09 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1hwk n LYS 722 Cb 0.34 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 27.87 1hwk n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1hwk n THR 723 N -4.60 0.00 -4.46 -0.18 5.66 -0.96 -4.73 114.28 105.01 1hwk n THR 723 Ca -0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.72 1hwk n THR 723 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 1hwk n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1hwk s THR 724 N -2.87 2.53 0.22 1.09 -4.23 -1.26 -3.13 115.64 107.99 1hwk s THR 724 Ca 0.00 -2.34 -0.08 0.00 -1.18 0.00 0.00 61.69 58.09 1hwk s THR 724 Cb 0.00 -2.39 0.19 0.00 1.34 0.00 0.00 72.50 71.64 1hwk s THR 724 CO 0.00 -0.37 1.84 0.74 -0.54 0.00 0.00 174.62 176.29 1hwk h THR 725 N 2.20 1.25 -0.41 3.99 2.02 -1.92 -2.14 112.91 117.90 1hwk h THR 725 Ca -0.41 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1hwk h THR 725 Cb 1.26 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1hwk h THR 725 CO 0.61 0.29 0.25 -0.08 0.37 0.00 0.00 175.52 176.96 1hwk h GLU 726 N 1.21 0.56 -0.62 6.66 4.81 -1.93 -1.52 114.58 123.75 1hwk h GLU 726 Ca 0.30 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1hwk h GLU 726 Cb 0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1hwk h GLU 726 CO -0.05 0.42 0.12 0.00 -0.73 0.00 0.00 179.01 178.77 1hwk h ALA 727 N 1.11 0.82 -0.20 2.92 0.00 -1.93 -2.21 119.26 119.77 1hwk h ALA 727 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hwk h ALA 727 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1hwk h ALA 727 CO -0.03 0.56 0.13 0.52 0.00 0.00 0.00 179.25 180.44 1hwk h MET 728 N 0.92 0.27 -0.73 0.00 2.86 -1.14 -1.87 114.93 115.25 1hwk h MET 728 Ca 0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1hwk h MET 728 Cb 0.40 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1hwk h MET 728 CO 0.01 0.18 0.46 0.82 1.06 0.00 0.00 176.91 179.44 1hwk h ILE 729 N 0.27 1.20 -0.35 -1.22 2.04 -1.17 0.04 117.51 118.32 1hwk h ILE 729 Ca 0.07 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1hwk h ILE 729 Cb -0.03 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1hwk h ILE 729 CO -0.02 0.19 -0.09 -0.08 0.00 0.00 0.00 178.15 178.16 1hwk h GLU 730 N 0.99 0.59 -0.12 2.37 4.57 -1.22 -1.57 114.58 120.19 1hwk h GLU 730 Ca 0.26 -0.17 -0.24 0.00 -1.18 0.00 0.00 59.36 58.04 1hwk h GLU 730 Cb -0.08 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1hwk h GLU 730 CO -0.05 0.68 -0.85 0.28 -1.18 0.00 0.00 179.01 177.88 1hwk h VAL 731 N 0.55 1.28 -0.31 0.32 2.07 -0.95 -2.67 116.25 116.54 1hwk h VAL 731 Ca 0.10 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 1hwk h VAL 731 Cb 0.48 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1hwk h VAL 731 CO 0.03 0.64 0.15 -1.13 0.02 0.00 0.00 177.57 177.28 1hwk h ASN 732 N 0.51 0.41 -0.31 0.57 -1.24 -0.70 0.20 115.58 115.02 1hwk h ASN 732 Ca -0.07 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 56.78 1hwk h ASN 732 Cb 1.48 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 1hwk h ASN 732 CO 0.17 0.42 0.06 0.40 -1.29 0.00 0.00 177.43 177.20 1hwk h ILE 733 N 0.37 1.22 0.00 2.57 2.04 -1.36 -0.65 117.51 121.70 1hwk h ILE 733 Ca 0.11 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1hwk h ILE 733 Cb 0.12 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1hwk h ILE 733 CO -0.01 0.25 -0.05 0.78 0.00 0.00 0.00 178.15 179.12 1hwk h ASN 734 N 0.33 0.00 0.00 1.72 2.35 -1.34 -0.55 115.58 118.09 1hwk h ASN 734 Ca 0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1hwk h ASN 734 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1hwk h ASN 734 CO 0.00 0.00 -0.63 1.17 -1.65 0.00 0.00 177.43 176.33 1hwk n LYS 735 N -2.76 0.33 0.25 0.81 4.81 0.05 -1.98 118.16 119.66 1hwk n LYS 735 Ca 0.04 0.13 0.13 0.00 -0.87 0.00 0.00 58.31 57.75 1hwk n LYS 735 Cb 0.49 -1.07 0.54 0.00 0.02 0.00 0.00 35.03 35.01 1hwk n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1hwk h ASN 736 N -0.63 0.00 0.00 3.14 2.35 -1.25 -2.09 115.58 117.09 1hwk h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hwk h ASN 736 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1hwk h ASN 736 CO 0.00 0.11 -0.22 0.18 -1.65 0.00 0.00 177.43 175.85 1hwk n LEU 737 N -3.24 0.56 -0.09 1.61 4.77 -1.10 -4.20 117.00 115.31 1hwk n LEU 737 Ca 0.01 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1hwk n LEU 737 Cb 0.38 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1hwk n LEU 737 CO 0.31 -0.48 0.76 0.58 -1.33 0.00 0.00 177.39 177.23 1hwk h VAL 738 N -0.22 1.26 -0.22 4.08 2.07 -1.28 -1.18 116.25 120.76 1hwk h VAL 738 Ca 0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1hwk h VAL 738 Cb 0.22 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1hwk h VAL 738 CO 0.00 0.30 0.12 1.23 0.02 0.00 0.00 177.57 179.24 1hwk h GLY 739 N 0.28 0.33 1.69 2.17 0.00 -0.98 0.52 103.07 107.07 1hwk h GLY 739 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1hwk h GLY 739 CO 0.02 0.15 0.05 1.76 0.00 0.00 0.00 176.54 178.51 1hwk h SER 740 N 0.24 0.36 -0.33 0.19 0.02 -1.37 -1.19 113.55 111.47 1hwk h SER 740 Ca 0.08 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1hwk h SER 740 Cb 0.08 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1hwk h SER 740 CO -0.01 0.39 -0.45 0.00 -1.14 0.00 0.00 176.83 175.62 1hwk h ALA 741 N 1.66 0.50 0.00 3.77 0.00 -0.66 -1.60 119.26 122.94 1hwk h ALA 741 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1hwk h ALA 741 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1hwk h ALA 741 CO -0.00 0.65 -0.33 0.52 0.00 0.00 0.00 179.25 180.10 1hwk h MET 742 N 0.69 0.00 -0.00 0.00 2.86 -0.31 -2.50 114.93 115.67 1hwk h MET 742 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1hwk h MET 742 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1hwk h MET 742 CO 0.11 0.33 -0.02 0.00 1.06 0.00 0.00 176.91 178.38 1hwk n ALA 743 N -2.40 2.49 -2.86 6.32 0.00 -0.50 -4.92 120.51 118.63 1hwk n ALA 743 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1hwk n ALA 743 Cb 0.39 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.41 1hwk n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hwk n GLY 744 N 1.34 0.27 3.80 0.00 0.00 -0.94 -5.02 105.19 104.64 1hwk n GLY 744 Ca 0.12 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1hwk n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hwk s SER 745 N -3.25 7.15 -0.28 1.61 0.15 -0.63 -5.05 113.70 113.39 1hwk s SER 745 Ca 0.18 1.44 0.03 0.00 0.70 0.00 0.00 55.95 58.30 1hwk s SER 745 Cb -0.08 -2.43 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 1hwk s SER 745 CO 0.31 0.13 -0.07 -0.63 1.20 0.00 0.00 173.24 174.18 1hwk s ILE 746 N -1.34 2.26 0.00 6.45 -1.09 -1.26 -4.68 121.20 121.54 1hwk s ILE 746 Ca 0.38 -1.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1hwk s ILE 746 Cb -0.19 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1hwk s ILE 746 CO 0.22 -0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 1hwk n GLY 747 N 4.41 0.83 2.62 6.18 0.00 -1.26 -4.94 105.19 113.03 1hwk n GLY 747 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1hwk n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwk n GLY 748 N -2.10 5.80 2.48 -0.02 0.00 -1.26 -1.73 105.19 108.36 1hwk n GLY 748 Ca 0.00 -2.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.11 1hwk n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hwk n TYR 749 N -0.60 2.23 -3.97 1.61 4.02 -0.90 -4.83 117.16 114.73 1hwk n TYR 749 Ca 0.50 -2.51 -0.10 0.00 -0.01 0.00 0.00 57.90 55.78 1hwk n TYR 749 Cb 0.49 -1.68 -0.04 0.00 -0.02 0.00 0.00 39.34 38.09 1hwk n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1hwk s ASN 750 N 0.39 0.07 -0.21 7.72 2.20 -1.23 -0.73 114.94 123.15 1hwk s ASN 750 Ca 0.56 -1.01 -0.21 0.00 -0.94 0.00 0.00 52.86 51.27 1hwk s ASN 750 Cb 0.25 0.66 -0.18 0.00 -2.00 0.00 0.00 41.25 39.98 1hwk s ASN 750 CO -0.14 -1.28 0.18 0.00 -2.94 0.00 0.00 177.10 172.93 1hwk n ALA 751 N -0.45 0.77 -2.68 3.54 0.00 -1.26 -4.83 120.51 115.60 1hwk n ALA 751 Ca -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 1hwk n ALA 751 Cb 0.61 -0.52 0.12 0.00 0.00 0.00 0.00 19.45 19.67 1hwk n ALA 751 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1hwk n HIS 752 N -4.44 -2.04 -0.28 0.00 1.44 -1.26 -4.95 115.22 103.69 1hwk n HIS 752 Ca -0.31 -1.81 0.13 0.00 -2.01 0.00 0.00 57.72 53.72 1hwk n HIS 752 Cb 0.66 1.50 0.39 0.00 0.12 0.00 0.00 29.99 32.65 1hwk n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hwk h ALA 753 N 1.37 1.86 -0.67 1.59 0.00 -1.89 -0.84 119.26 120.69 1hwk h ALA 753 Ca -0.39 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.61 1hwk h ALA 753 Cb 1.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1hwk h ALA 753 CO -0.13 -0.13 0.44 0.00 0.00 0.00 0.00 179.25 179.43 1hwk h ALA 754 N 1.60 1.77 -0.46 0.00 0.00 -1.93 0.02 119.26 120.26 1hwk h ALA 754 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1hwk h ALA 754 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1hwk h ALA 754 CO -0.22 0.12 0.30 -0.91 0.00 0.00 0.00 179.25 178.54 1hwk h ASN 755 N 0.67 0.54 -0.04 0.00 2.35 -1.55 -0.42 115.58 117.12 1hwk h ASN 755 Ca 0.29 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1hwk h ASN 755 Cb 0.29 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1hwk h ASN 755 CO -0.09 0.40 -0.08 0.40 -1.65 0.00 0.00 177.43 176.40 1hwk h ILE 756 N 0.63 1.43 -0.62 2.81 1.08 -1.44 -2.44 117.51 118.97 1hwk h ILE 756 Ca 0.17 -1.41 0.06 0.00 -0.39 0.00 0.00 64.86 63.29 1hwk h ILE 756 Cb -0.06 2.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.91 1hwk h ILE 756 CO -0.04 0.38 0.32 0.58 -0.69 0.00 0.00 178.15 178.71 1hwk h VAL 757 N -0.40 0.93 -0.29 1.67 2.07 -0.98 -1.85 116.25 117.40 1hwk h VAL 757 Ca 0.00 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1hwk h VAL 757 Cb 0.66 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1hwk h VAL 757 CO 0.02 0.11 0.05 0.74 0.02 0.00 0.00 177.57 178.51 1hwk h THR 758 N 0.59 1.23 -0.68 2.57 2.02 -1.09 -0.18 112.91 117.37 1hwk h THR 758 Ca 0.28 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1hwk h THR 758 Cb 0.21 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1hwk h THR 758 CO -0.20 0.25 0.28 0.00 0.37 0.00 0.00 175.52 176.23 1hwk h ALA 759 N 0.88 0.88 -0.28 6.16 0.00 -1.27 -1.46 119.26 124.16 1hwk h ALA 759 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1hwk h ALA 759 Cb 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hwk h ALA 759 CO 0.00 0.49 -0.48 0.82 0.00 0.00 0.00 179.25 180.08 1hwk h ILE 760 N 0.95 1.28 -0.58 0.00 2.04 -1.24 -0.55 117.51 119.42 1hwk h ILE 760 Ca 0.23 -1.67 0.02 0.00 1.00 0.00 0.00 64.86 64.44 1hwk h ILE 760 Cb 0.19 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1hwk h ILE 760 CO -0.02 0.54 0.36 1.88 0.00 0.00 0.00 178.15 180.91 1hwk h TYR 761 N 0.60 0.67 -0.50 1.37 -1.99 -0.79 -0.50 116.97 115.82 1hwk h TYR 761 Ca 0.02 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.66 1hwk h TYR 761 Cb 1.09 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.59 1hwk h TYR 761 CO 0.08 0.38 -0.10 0.82 -0.00 0.00 0.00 178.16 179.34 1hwk h ILE 762 N 0.70 1.27 -0.02 -2.88 2.04 -1.30 0.21 117.51 117.53 1hwk h ILE 762 Ca 0.23 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.75 1hwk h ILE 762 Cb 0.01 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1hwk h ILE 762 CO -0.10 0.43 -0.46 0.00 0.00 0.00 0.00 178.15 178.02 1hwk h ALA 763 N 0.90 1.20 -0.60 1.87 0.00 -1.27 -3.20 119.26 118.17 1hwk h ALA 763 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hwk h ALA 763 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1hwk h ALA 763 CO 0.05 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1hwk n GLY 765 N 0.93 0.51 3.94 0.00 0.00 -0.99 -4.59 105.19 104.99 1hwk n GLY 765 Ca 0.25 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1hwk n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hwk s GLN 766 N -3.86 1.41 -0.62 1.61 -1.52 0.03 -2.97 119.66 113.74 1hwk s GLN 766 Ca 0.00 -0.46 -0.23 0.00 -1.95 0.00 0.00 55.36 52.72 1hwk s GLN 766 Cb 0.00 -2.04 0.06 0.00 -0.22 0.00 0.00 33.01 30.81 1hwk s GLN 766 CO 0.00 -1.82 0.96 0.34 -0.25 0.00 0.00 175.29 174.52 1hwk s ASP 767 N -4.73 6.23 0.60 5.90 -1.08 -1.26 -4.74 116.67 117.59 1hwk s ASP 767 Ca 0.67 -0.75 0.31 0.00 -0.52 0.00 0.00 52.55 52.27 1hwk s ASP 767 Cb -0.07 -2.43 1.87 0.00 -1.46 0.00 0.00 42.92 40.84 1hwk s ASP 767 CO 0.49 -1.37 2.27 0.00 0.52 0.00 0.00 175.17 177.07 1hwk h ALA 768 N 9.48 1.49 0.00 3.66 0.00 -1.94 -1.18 119.26 130.77 1hwk h ALA 768 Ca -0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1hwk h ALA 768 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hwk h ALA 768 CO 1.15 -0.00 -0.07 0.00 0.00 0.00 0.00 179.25 180.33 1hwk h ALA 769 N 2.00 1.07 0.00 0.00 0.00 -2.01 -2.04 119.26 118.27 1hwk h ALA 769 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hwk h ALA 769 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hwk h ALA 769 CO -0.00 0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.37 1hwk n GLN 770 N -3.27 0.83 0.28 0.00 6.02 -0.45 -2.91 117.38 117.89 1hwk n GLN 770 Ca -0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.13 1hwk n GLN 770 Cb 0.27 -1.28 0.81 0.00 1.02 0.00 0.00 30.24 31.06 1hwk n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1hwk h ASN 771 N 0.00 0.00 0.25 1.08 -1.24 -1.53 -0.40 115.58 113.74 1hwk h ASN 771 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.02 1hwk h ASN 771 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1hwk h ASN 771 CO 0.00 0.08 -0.31 0.58 -1.29 0.00 0.00 177.43 176.49 1hwk h VAL 772 N 0.00 0.34 0.00 2.57 2.07 -1.78 -2.58 116.25 116.88 1hwk h VAL 772 Ca -0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 1hwk h VAL 772 Cb 0.29 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1hwk h VAL 772 CO 0.01 0.00 -1.79 0.61 0.02 0.00 0.00 177.57 176.42 1hwk n GLY 773 N -1.42 -1.03 0.27 2.17 0.00 -1.16 -4.25 105.19 99.77 1hwk n GLY 773 Ca -0.08 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1hwk n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1hwk h SER 774 N 0.00 0.00 0.56 1.61 0.02 -1.06 -1.72 113.55 112.96 1hwk h SER 774 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1hwk h SER 774 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1hwk h SER 774 CO 0.06 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.56 1hwk n SER 775 N -4.27 0.00 -4.65 3.07 7.64 -0.97 -4.43 113.62 110.01 1hwk n SER 775 Ca -0.03 -0.03 -0.46 0.00 1.01 0.00 0.00 58.87 59.36 1hwk n SER 775 Cb 0.09 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 1hwk n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hwk n ASN 776 N -1.31 2.56 -3.64 6.43 3.02 -0.65 -4.57 115.26 117.10 1hwk n ASN 776 Ca 0.12 1.13 -0.08 0.00 -0.03 0.00 0.00 54.58 55.71 1hwk n ASN 776 Cb 0.23 -1.38 -0.07 0.00 -0.61 0.00 0.00 39.78 37.95 1hwk n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hwk s ILE 778 N 0.32 2.73 -0.26 0.00 2.07 -0.60 -2.12 121.20 123.35 1hwk s ILE 778 Ca 0.02 -0.92 -0.13 0.00 -1.41 0.00 0.00 60.65 58.22 1hwk s ILE 778 Cb -0.05 -2.31 -0.04 0.00 0.13 0.00 0.00 42.46 40.19 1hwk s ILE 778 CO -0.07 0.33 0.28 -0.89 -1.91 0.00 0.00 174.94 172.67 1hwk s THR 779 N 1.34 5.26 -0.04 4.00 2.01 0.09 -1.79 115.64 126.51 1hwk s THR 779 Ca 0.02 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.48 1hwk s THR 779 Cb -0.15 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1hwk s THR 779 CO -0.06 0.24 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.10 1hwk s LEU 780 N 1.67 2.16 -0.02 4.42 1.43 0.32 -4.90 118.68 123.76 1hwk s LEU 780 Ca 0.12 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1hwk s LEU 780 Cb -0.15 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1hwk s LEU 780 CO 0.09 0.29 -0.13 -0.04 0.23 0.00 0.00 176.35 176.80 1hwk s MET 781 N -0.45 1.13 0.09 1.70 -1.94 -1.26 -1.07 119.30 117.49 1hwk s MET 781 Ca 0.05 -0.44 -0.17 0.00 -1.71 0.00 0.00 55.69 53.42 1hwk s MET 781 Cb -0.11 -1.06 0.04 0.00 2.01 0.00 0.00 34.83 35.70 1hwk s MET 781 CO 0.01 0.23 0.42 -1.83 -0.01 0.00 0.00 175.02 173.84 1hwk s GLU 782 N -0.13 1.01 0.24 2.03 -1.05 -0.33 -4.90 118.70 115.57 1hwk s GLU 782 Ca 0.02 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.01 1hwk s GLU 782 Cb -0.07 0.45 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1hwk s GLU 782 CO 0.00 -0.37 1.40 0.00 0.95 0.00 0.00 175.26 177.24 1hwk s ALA 783 N -3.15 3.60 0.23 -0.84 0.00 -1.26 -0.23 121.76 120.11 1hwk s ALA 783 Ca -0.01 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1hwk s ALA 783 Cb 0.01 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1hwk s ALA 783 CO -0.07 -0.68 0.12 0.45 0.00 0.00 0.00 175.76 175.57 1hwk s SER 784 N 0.34 0.74 0.00 0.00 0.15 0.18 -4.80 113.70 110.30 1hwk s SER 784 Ca 0.58 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1hwk s SER 784 Cb -0.40 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1hwk s SER 784 CO 0.42 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1hwk n GLY 785 N -0.38 -0.41 0.21 9.45 0.00 -1.26 -1.50 105.19 111.30 1hwk n GLY 785 Ca 0.01 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 1hwk n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hwk h PRO 786 N 0.00 0.39 -0.60 1.61 0.11 -2.01 -2.86 132.00 128.64 1hwk h PRO 786 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1hwk h PRO 786 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1hwk h PRO 786 CO 0.00 0.26 0.00 0.25 -0.21 0.00 0.00 178.00 178.30 1hwk n THR 787 N -4.97 1.08 -3.75 -1.15 -2.24 -1.26 -4.96 114.28 97.02 1hwk n THR 787 Ca 0.06 -1.03 -0.27 0.00 -2.27 0.00 0.00 64.05 60.54 1hwk n THR 787 Cb 0.21 0.46 0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1hwk n THR 787 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hwk n ASN 788 N 1.23 -5.29 -0.00 3.42 4.13 -1.08 -4.88 115.26 112.79 1hwk n ASN 788 Ca 0.21 -0.67 0.03 0.00 1.68 0.00 0.00 54.58 55.83 1hwk n ASN 788 Cb 0.59 -4.44 -0.04 0.00 -1.54 0.00 0.00 39.78 34.35 1hwk n ASN 788 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1hwk n GLU 789 N -4.80 4.65 -3.27 3.52 1.02 -1.00 -4.58 120.64 116.17 1hwk n GLU 789 Ca 0.00 -0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1hwk n GLU 789 Cb 0.55 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 31.10 1hwk n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hwk s ASP 790 N -1.66 6.80 -0.38 1.62 1.01 -0.56 -3.98 116.67 119.52 1hwk s ASP 790 Ca 0.02 1.14 -0.17 0.00 0.71 0.00 0.00 52.55 54.26 1hwk s ASP 790 Cb 0.05 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1hwk s ASP 790 CO 0.26 -0.04 0.42 -0.22 0.21 0.00 0.00 175.17 175.80 1hwk s LEU 791 N -2.46 4.60 0.00 1.23 2.96 0.04 0.50 118.68 125.55 1hwk s LEU 791 Ca 0.46 -0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 1hwk s LEU 791 Cb -0.13 -2.40 -0.06 0.00 0.50 0.00 0.00 46.19 44.11 1hwk s LEU 791 CO 0.20 -0.46 0.57 -0.47 -1.32 0.00 0.00 176.35 174.86 1hwk s TYR 792 N 2.13 3.70 -0.00 5.38 5.04 0.68 -0.15 117.35 134.13 1hwk s TYR 792 Ca 0.13 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 1hwk s TYR 792 Cb -0.17 -2.56 0.00 0.00 0.35 0.00 0.00 41.96 39.59 1hwk s TYR 792 CO 0.13 0.41 -0.00 -1.50 -1.34 0.00 0.00 175.55 173.24 1hwk s ILE 793 N -0.37 0.04 0.01 3.14 2.07 -0.35 -1.19 121.20 124.55 1hwk s ILE 793 Ca 0.30 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1hwk s ILE 793 Cb -0.18 -0.04 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 1hwk s ILE 793 CO 0.17 0.01 0.00 -0.94 -1.91 0.00 0.00 174.94 172.27 1hwk s SER 794 N 0.02 0.14 -0.08 4.50 1.04 -0.24 -1.46 113.70 117.63 1hwk s SER 794 Ca -0.00 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.14 1hwk s SER 794 Cb -0.01 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1hwk s SER 794 CO -0.00 -0.22 -0.13 0.00 0.98 0.00 0.00 173.24 173.87 1hwk s THR 796 N 0.81 2.24 -0.32 0.00 2.01 -0.74 -1.50 115.64 118.14 1hwk s THR 796 Ca -0.11 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1hwk s THR 796 Cb -0.15 -1.93 0.10 0.00 0.01 0.00 0.00 72.50 70.52 1hwk s THR 796 CO 0.02 0.53 0.07 -0.04 -0.69 0.00 0.00 174.62 174.51 1hwk s MET 797 N 1.04 1.08 0.00 4.92 -1.94 0.39 -1.56 119.30 123.23 1hwk s MET 797 Ca -0.01 -1.41 0.30 0.00 -1.71 0.00 0.00 55.69 52.85 1hwk s MET 797 Cb -0.14 -2.53 1.59 0.00 2.01 0.00 0.00 34.83 35.75 1hwk s MET 797 CO -0.06 -0.95 2.07 -0.35 -0.01 0.00 0.00 175.02 175.72 1hwk n PRO 798 N 4.59 0.58 -2.94 2.03 -0.04 -1.26 -0.28 135.00 137.68 1hwk n PRO 798 Ca 0.00 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1hwk n PRO 798 Cb 0.42 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1hwk n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hwk n SER 799 N -1.20 -0.30 -4.57 3.54 3.41 -1.23 -2.57 113.62 110.69 1hwk n SER 799 Ca 0.17 -3.14 -0.43 0.00 -0.26 0.00 0.00 58.87 55.21 1hwk n SER 799 Cb 0.19 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 1hwk n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hwk s ILE 800 N -1.46 4.28 -0.44 -1.33 1.01 -0.29 -3.33 121.20 119.64 1hwk s ILE 800 Ca 0.31 0.84 -0.21 0.00 0.00 0.00 0.00 60.65 61.59 1hwk s ILE 800 Cb 0.35 -4.57 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1hwk s ILE 800 CO -0.06 -1.05 0.65 -1.61 0.00 0.00 0.00 174.94 172.88 1hwk s GLU 801 N 4.26 3.28 0.16 2.79 2.02 -1.26 -0.58 118.70 129.38 1hwk s GLU 801 Ca 0.40 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.87 1hwk s GLU 801 Cb -0.09 -3.95 0.02 0.00 0.10 0.00 0.00 34.13 30.21 1hwk s GLU 801 CO 0.27 -1.02 0.43 -1.50 0.02 0.00 0.00 175.26 173.45 1hwk s ILE 802 N 2.84 0.05 0.06 -1.63 2.07 -1.26 -4.88 121.20 118.46 1hwk s ILE 802 Ca 0.23 -0.83 -0.26 0.00 -1.41 0.00 0.00 60.65 58.37 1hwk s ILE 802 Cb -0.14 -1.48 0.09 0.00 0.13 0.00 0.00 42.46 41.06 1hwk s ILE 802 CO 0.19 -0.24 0.75 -0.83 -1.91 0.00 0.00 174.94 172.90 1hwk s GLY 803 N -2.87 -0.54 0.00 1.50 0.00 -1.26 -3.57 107.32 100.58 1hwk s GLY 803 Ca 0.08 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.63 1hwk s GLY 803 CO -0.06 0.31 0.93 -1.30 0.00 0.00 0.00 173.10 172.98 1hwk n THR 804 N -0.21 0.81 -3.95 0.90 -2.24 0.74 -4.84 114.28 105.49 1hwk n THR 804 Ca -0.13 -0.91 -0.12 0.00 -2.27 0.00 0.00 64.05 60.62 1hwk n THR 804 Cb 0.63 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 1hwk n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hwk s VAL 805 N -0.83 0.12 0.00 2.28 1.01 -1.20 -1.53 120.40 120.25 1hwk s VAL 805 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1hwk s VAL 805 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1hwk s VAL 805 CO 0.01 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1hwk n GLY 806 N 2.80 -0.84 7.00 4.51 0.00 -1.26 -4.35 105.19 113.06 1hwk n GLY 806 Ca -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1hwk n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwk n GLY 807 N -0.73 3.08 0.11 -0.02 0.00 -1.26 -1.66 105.19 104.71 1hwk n GLY 807 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1hwk n GLY 807 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwk n GLY 808 N 0.00 -1.08 0.00 -0.02 0.00 -1.22 -1.99 105.19 100.88 1hwk n GLY 808 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1hwk n GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hwk n THR 809 N -2.10 0.21 0.58 2.61 -2.24 -0.66 -2.54 114.28 110.12 1hwk n THR 809 Ca 0.01 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1hwk n THR 809 Cb 0.16 -0.64 0.38 0.00 -2.10 0.00 0.00 70.33 68.12 1hwk n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1hwk h ASN 810 N 0.00 0.00 -3.57 3.42 2.35 -1.52 -3.40 115.58 112.85 1hwk h ASN 810 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 1hwk h ASN 810 Cb 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1hwk h ASN 810 CO 0.00 0.00 0.17 -0.76 -1.65 0.00 0.00 177.43 175.19 1hwk s LEU 811 N -4.73 4.48 0.15 1.61 1.43 -1.05 -4.97 118.68 115.60 1hwk s LEU 811 Ca 0.10 1.58 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 1hwk s LEU 811 Cb 0.11 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.91 1hwk s LEU 811 CO 0.60 0.12 1.77 -0.07 0.23 0.00 0.00 176.35 179.00 1hwk h LEU 812 N 3.89 0.22 -0.92 1.79 3.38 -1.89 -0.75 115.31 121.02 1hwk h LEU 812 Ca -0.47 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1hwk h LEU 812 Cb 1.20 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1hwk h LEU 812 CO 0.66 0.16 0.53 -0.65 0.09 0.00 0.00 178.44 179.23 1hwk h PRO 813 N 0.33 1.28 -0.07 1.13 0.11 -1.95 -1.03 132.00 131.79 1hwk h PRO 813 Ca 0.15 -0.14 -0.14 0.00 0.11 0.00 0.00 66.00 65.99 1hwk h PRO 813 Cb 0.09 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1hwk h PRO 813 CO -0.12 0.92 -0.58 -0.56 -0.21 0.00 0.00 178.00 177.44 1hwk h GLN 814 N 1.29 0.23 -0.12 1.05 -0.00 -1.74 -2.57 115.11 113.25 1hwk h GLN 814 Ca 0.33 -0.15 -0.05 0.00 -0.00 0.00 0.00 58.65 58.78 1hwk h GLN 814 Cb -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.48 1hwk h GLN 814 CO -0.06 0.74 -0.14 1.96 -0.00 0.00 0.00 178.83 181.34 1hwk h GLN 815 N 0.17 0.18 -0.42 0.06 4.20 -0.58 -1.59 115.11 117.13 1hwk h GLN 815 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1hwk h GLN 815 Cb 1.07 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1hwk h GLN 815 CO 0.09 0.33 0.19 0.00 -0.67 0.00 0.00 178.83 178.77 1hwk h ALA 816 N 1.69 0.55 -0.31 3.87 0.00 -0.79 0.26 119.26 124.52 1hwk h ALA 816 Ca 0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1hwk h ALA 816 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1hwk h ALA 816 CO 0.02 0.13 -0.21 0.00 0.00 0.00 0.00 179.25 179.20 1hwk h LEU 818 N 0.52 1.04 -0.89 0.00 3.38 -0.84 -2.91 115.31 115.61 1hwk h LEU 818 Ca 0.08 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1hwk h LEU 818 Cb 0.64 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1hwk h LEU 818 CO 0.05 1.17 0.20 1.56 0.09 0.00 0.00 178.44 181.51 1hwk h GLN 819 N 0.90 1.02 -0.94 1.13 4.20 -0.19 -1.13 115.11 120.11 1hwk h GLN 819 Ca 0.13 -0.21 0.23 0.00 0.06 0.00 0.00 58.65 58.86 1hwk h GLN 819 Cb 0.73 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1hwk h GLN 819 CO 0.06 0.88 0.62 0.52 -0.67 0.00 0.00 178.83 180.24 1hwk h MET 820 N 0.99 0.34 -0.01 1.46 2.86 -0.98 0.23 114.93 119.81 1hwk h MET 820 Ca 0.22 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1hwk h MET 820 Cb 0.29 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1hwk h MET 820 CO -0.01 0.23 -0.52 1.28 1.06 0.00 0.00 176.91 178.95 1hwk n LEU 821 N -4.50 1.09 -0.66 1.22 4.77 -0.54 -4.62 117.00 113.77 1hwk n LEU 821 Ca 0.21 -0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 1hwk n LEU 821 Cb 0.78 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1hwk n LEU 821 CO 0.31 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.13 1hwk n GLY 822 N 1.43 0.20 0.12 -0.72 0.00 0.79 -4.94 105.19 102.07 1hwk n GLY 822 Ca 0.08 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1hwk n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hwk n VAL 823 N -3.89 0.90 -2.12 1.61 0.24 -0.86 -5.01 118.33 109.20 1hwk n VAL 823 Ca -0.07 -1.02 -0.41 0.00 -2.04 0.00 0.00 64.34 60.80 1hwk n VAL 823 Cb 0.52 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 1hwk n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1hwk s GLN 824 N -1.21 4.34 1.74 7.34 -0.44 -1.24 -4.75 119.66 125.44 1hwk s GLN 824 Ca 0.10 2.18 0.00 0.00 -2.50 0.00 0.00 55.36 55.14 1hwk s GLN 824 Cb 0.09 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.33 1hwk s GLN 824 CO 0.01 -0.29 0.00 0.41 0.50 0.00 0.00 175.29 175.92 1hwk n GLY 825 N 1.91 -1.21 3.79 2.59 0.00 -0.58 -4.87 105.19 106.81 1hwk n GLY 825 Ca 0.05 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1hwk n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwk s ALA 826 N -1.63 3.00 -0.61 4.61 0.00 -1.26 -4.68 121.76 121.19 1hwk s ALA 826 Ca 0.00 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 1hwk s ALA 826 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 20.00 1hwk s ALA 826 CO 0.00 -0.28 0.56 0.00 0.00 0.00 0.00 175.76 176.04 1hwk h LYS 828 N 8.61 0.03 -0.00 0.00 2.10 -1.99 -1.74 116.57 123.58 1hwk h LYS 828 Ca -0.20 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1hwk h LYS 828 Cb 1.08 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1hwk h LYS 828 CO 0.97 0.02 -0.17 -0.25 -2.00 0.00 0.00 179.45 178.02 1hwk n ASP 829 N -5.29 0.32 -2.82 7.07 8.00 -1.26 -4.42 116.55 118.15 1hwk n ASP 829 Ca 0.03 -0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 1hwk n ASP 829 Cb 0.24 -0.13 0.04 0.00 -0.02 0.00 0.00 41.12 41.25 1hwk n ASP 829 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hwk n ASN 830 N -1.26 -2.36 -4.64 -2.24 5.15 -1.15 -5.14 115.26 103.62 1hwk n ASN 830 Ca 0.10 -3.26 -0.58 0.00 -0.60 0.00 0.00 54.58 50.24 1hwk n ASN 830 Cb 0.31 1.46 -0.08 0.00 -0.53 0.00 0.00 39.78 40.95 1hwk n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1hwk n PRO 831 N 1.46 0.69 0.00 1.20 -0.02 -0.67 -1.27 135.00 136.40 1hwk n PRO 831 Ca 0.11 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1hwk n PRO 831 Cb 0.62 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1hwk n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hwk n GLY 832 N 3.14 2.98 0.26 -1.23 0.00 -1.25 -4.78 105.19 104.31 1hwk n GLY 832 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1hwk n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hwk h GLU 833 N 2.87 0.27 -0.23 1.61 4.57 -1.50 -0.34 114.58 121.83 1hwk h GLU 833 Ca 0.00 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 1hwk h GLU 833 Cb 0.00 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1hwk h GLU 833 CO 0.00 0.31 -0.19 -0.91 -1.18 0.00 0.00 179.01 177.04 1hwk h ASN 834 N 0.26 0.57 -0.69 1.04 2.35 -1.88 -0.83 115.58 116.40 1hwk h ASN 834 Ca 0.06 -0.45 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 1hwk h ASN 834 Cb 0.21 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1hwk h ASN 834 CO 0.01 0.91 0.15 0.00 -1.65 0.00 0.00 177.43 176.85 1hwk h ALA 835 N 0.68 0.96 -0.62 -0.83 0.00 -1.73 -0.27 119.26 117.46 1hwk h ALA 835 Ca 0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1hwk h ALA 835 Cb 0.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1hwk h ALA 835 CO 0.05 0.67 0.06 0.00 0.00 0.00 0.00 179.25 180.03 1hwk h ARG 836 N 1.06 1.05 -0.66 0.00 3.08 -1.01 -1.44 114.38 116.45 1hwk h ARG 836 Ca 0.22 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1hwk h ARG 836 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1hwk h ARG 836 CO 0.01 0.99 0.19 0.37 -1.07 0.00 0.00 179.97 180.46 1hwk h GLN 837 N 0.95 1.04 -0.80 0.04 5.75 -0.78 -1.76 115.11 119.56 1hwk h GLN 837 Ca 0.18 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1hwk h GLN 837 Cb 0.48 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 1hwk h GLN 837 CO 0.02 0.92 0.33 1.25 -2.65 0.00 0.00 178.83 178.70 1hwk h LEU 838 N 0.97 1.10 -0.90 -2.39 5.85 -0.70 -1.55 115.31 117.68 1hwk h LEU 838 Ca 0.21 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1hwk h LEU 838 Cb 0.33 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1hwk h LEU 838 CO -0.00 0.96 0.13 0.00 -0.34 0.00 0.00 178.44 179.19 1hwk h ALA 839 N 1.20 1.11 -0.53 1.25 0.00 -0.92 -1.11 119.26 120.25 1hwk h ALA 839 Ca 0.27 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1hwk h ALA 839 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1hwk h ALA 839 CO -0.02 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 1hwk h ARG 840 N 0.90 0.95 -0.79 0.00 3.08 -0.97 -1.24 114.38 116.31 1hwk h ARG 840 Ca 0.19 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1hwk h ARG 840 Cb 0.34 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1hwk h ARG 840 CO 0.00 0.97 0.39 0.82 -1.07 0.00 0.00 179.97 181.09 1hwk h ILE 841 N 0.83 1.25 -0.14 2.04 2.04 -0.83 -0.02 117.51 122.67 1hwk h ILE 841 Ca 0.15 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1hwk h ILE 841 Cb 0.56 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1hwk h ILE 841 CO 0.03 0.29 0.06 0.58 0.00 0.00 0.00 178.15 179.11 1hwk h VAL 842 N 1.11 1.14 -0.63 1.67 2.07 -1.01 1.00 116.25 121.60 1hwk h VAL 842 Ca 0.27 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1hwk h VAL 842 Cb 0.10 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1hwk h VAL 842 CO -0.04 0.13 0.27 0.00 0.02 0.00 0.00 177.57 177.96 1hwk h GLY 844 N 0.98 1.01 1.49 0.00 0.00 -0.75 -1.86 103.07 103.95 1hwk h GLY 844 Ca 0.21 -0.95 -0.12 0.00 0.00 0.00 0.00 47.33 46.48 1hwk h GLY 844 CO -0.02 0.86 -0.33 -0.84 0.00 0.00 0.00 176.54 176.21 1hwk h THR 845 N 0.76 1.28 -0.39 4.70 2.02 -0.45 -1.77 112.91 119.08 1hwk h THR 845 Ca 0.09 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 1hwk h THR 845 Cb 0.84 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1hwk h THR 845 CO 0.07 0.46 0.20 0.58 0.37 0.00 0.00 175.52 177.20 1hwk h VAL 846 N 0.49 1.16 -0.87 3.16 2.07 -0.94 0.63 116.25 121.95 1hwk h VAL 846 Ca 0.06 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1hwk h VAL 846 Cb 0.80 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1hwk h VAL 846 CO 0.07 0.17 0.56 -0.03 0.02 0.00 0.00 177.57 178.35 1hwk h MET 847 N 0.49 1.15 -0.68 1.57 -1.53 -1.09 0.26 114.93 115.10 1hwk h MET 847 Ca 0.13 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 1hwk h MET 847 Cb 0.09 -0.25 -0.03 0.00 -0.55 0.00 0.00 31.60 30.85 1hwk h MET 847 CO -0.02 0.78 0.43 0.00 0.14 0.00 0.00 176.91 178.25 1hwk h ALA 848 N 1.30 0.86 -0.56 0.39 0.00 -0.81 0.10 119.26 120.55 1hwk h ALA 848 Ca 0.31 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1hwk h ALA 848 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1hwk h ALA 848 CO -0.06 0.30 -0.01 0.78 0.00 0.00 0.00 179.25 180.26 1hwk h GLY 849 N 0.92 1.05 0.92 0.00 0.00 0.01 -2.56 103.07 103.40 1hwk h GLY 849 Ca 0.25 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1hwk h GLY 849 CO -0.05 0.69 0.09 0.83 0.00 0.00 0.00 176.54 178.10 1hwk h GLU 850 N 0.89 0.58 -0.20 4.80 4.39 0.02 -2.22 114.58 122.84 1hwk h GLU 850 Ca 0.16 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1hwk h GLU 850 Cb 0.53 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1hwk h GLU 850 CO 0.03 0.62 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.41 1hwk h LEU 851 N 0.44 -0.11 0.10 1.33 3.38 -0.88 -0.78 115.31 118.79 1hwk h LEU 851 Ca 0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1hwk h LEU 851 Cb 0.30 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1hwk h LEU 851 CO 0.00 -0.03 -0.05 -1.28 0.09 0.00 0.00 178.44 177.17 1hwk h SER 852 N 0.04 -0.11 -0.73 -0.43 0.87 -1.42 -1.68 113.55 110.08 1hwk h SER 852 Ca 0.10 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1hwk h SER 852 Cb 0.13 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1hwk h SER 852 CO -0.18 0.20 0.27 0.25 -0.53 0.00 0.00 176.83 176.84 1hwk h LEU 853 N -0.44 1.03 -1.05 2.23 5.85 -1.41 -1.21 115.31 120.32 1hwk h LEU 853 Ca -0.01 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1hwk h LEU 853 Cb 0.37 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1hwk h LEU 853 CO 0.02 0.94 0.45 0.24 -0.34 0.00 0.00 178.44 179.76 1hwk h MET 854 N 1.07 1.12 -0.44 1.25 2.86 -1.10 -0.37 114.93 119.31 1hwk h MET 854 Ca 0.24 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1hwk h MET 854 Cb 0.25 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1hwk h MET 854 CO -0.01 0.81 0.06 0.00 1.06 0.00 0.00 176.91 178.82 1hwk h ALA 855 N 1.37 0.59 -0.64 6.32 0.00 -0.84 0.67 119.26 126.73 1hwk h ALA 855 Ca 0.29 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1hwk h ALA 855 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1hwk h ALA 855 CO -0.05 0.32 0.24 0.00 0.00 0.00 0.00 179.25 179.76 1hwk h ALA 856 N 0.94 1.22 -0.34 0.00 0.00 -0.70 0.23 119.26 120.62 1hwk h ALA 856 Ca 0.13 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1hwk h ALA 856 Cb 0.40 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hwk h ALA 856 CO 0.01 0.56 -0.42 -0.07 0.00 0.00 0.00 179.25 179.34 1hwk h LEU 857 N 0.93 0.95 -0.76 0.00 3.38 -0.81 -2.47 115.31 116.53 1hwk h LEU 857 Ca 0.22 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1hwk h LEU 857 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1hwk h LEU 857 CO -0.02 1.25 -0.08 0.00 0.09 0.00 0.00 178.44 179.69 1hwk h ALA 858 N 0.73 0.96 -0.06 1.53 0.00 -0.28 -3.29 119.26 118.86 1hwk h ALA 858 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1hwk h ALA 858 Cb 1.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1hwk h ALA 858 CO 0.10 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.71 1hwk h ALA 859 N 1.13 0.11 0.00 0.00 0.00 -0.56 -3.49 119.26 116.44 1hwk h ALA 859 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1hwk h ALA 859 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hwk h ALA 859 CO 0.04 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.81