#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwk n ARG 443 N 0.00 1.01 -0.63 -0.52 1.74 -1.26 -4.99 116.66 112.01 1hwk n ARG 443 Ca 0.00 0.40 -0.31 0.00 -0.77 0.00 0.00 57.85 57.18 1hwk n ARG 443 Cb 0.00 -2.50 0.19 0.00 -1.02 0.00 0.00 32.46 29.13 1hwk n ARG 443 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1hwk n PRO 444 N -1.98 -1.22 -0.14 5.56 -0.02 -1.26 -4.87 135.00 131.08 1hwk n PRO 444 Ca 0.16 -0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.22 1hwk n PRO 444 Cb 0.48 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1hwk n PRO 444 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1hwk h ASN 445 N -2.13 0.76 -0.69 2.55 2.35 -1.95 -3.13 115.58 113.33 1hwk h ASN 445 Ca -0.50 -0.35 0.08 0.00 -0.55 0.00 0.00 56.30 54.98 1hwk h ASN 445 Cb 1.30 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1hwk h ASN 445 CO 0.42 0.93 0.46 -0.08 -1.65 0.00 0.00 177.43 177.50 1hwk h GLU 446 N 0.58 0.62 -0.12 0.81 4.81 -2.04 -1.83 114.58 117.41 1hwk h GLU 446 Ca 0.11 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1hwk h GLU 446 Cb 0.58 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1hwk h GLU 446 CO 0.03 0.41 -0.57 0.93 -0.73 0.00 0.00 179.01 179.08 1hwk h GLU 447 N 0.64 0.37 -5.75 1.92 5.08 -1.93 -3.42 114.58 111.49 1hwk h GLU 447 Ca 0.31 -0.24 -0.38 0.00 -1.00 0.00 0.00 59.36 58.05 1hwk h GLU 447 Cb 0.37 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1hwk h GLU 447 CO -0.10 0.84 1.10 0.00 -1.00 0.00 0.00 179.01 179.84 1hwk h LEU 449 N 18.30 -0.51 0.00 0.00 3.38 -1.84 -3.50 115.31 131.14 1hwk h LEU 449 Ca -0.14 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hwk h LEU 449 Cb 1.13 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1hwk h LEU 449 CO 1.18 -0.20 0.00 0.18 0.09 0.00 0.00 178.44 179.69 1hwk n LEU 462 N -5.32 0.00 -0.42 1.67 4.77 -1.26 -5.25 117.00 111.19 1hwk n LEU 462 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1hwk n LEU 462 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1hwk n LEU 462 CO 0.18 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.00 1hwk n SER 463 N 0.00 -1.93 0.15 -1.43 2.88 -1.26 -4.64 113.62 107.39 1hwk n SER 463 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1hwk n SER 463 Cb 0.00 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 1hwk n SER 463 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1hwk h ASP 464 N 0.00 -0.56 -0.93 -3.46 3.32 -2.02 -2.26 116.42 110.51 1hwk h ASP 464 Ca 0.00 0.05 0.23 0.00 0.02 0.00 0.00 57.03 57.33 1hwk h ASP 464 Cb 0.00 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1hwk h ASP 464 CO 0.00 -0.31 0.62 0.00 -1.72 0.00 0.00 179.24 177.84 1hwk h ALA 465 N 0.29 2.35 0.00 3.45 0.00 -2.00 -0.55 119.26 122.80 1hwk h ALA 465 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1hwk h ALA 465 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hwk h ALA 465 CO -0.06 -0.65 -0.99 0.93 0.00 0.00 0.00 179.25 178.48 1hwk h GLU 466 N 0.32 0.53 -0.46 0.00 5.08 -1.71 -2.75 114.58 115.60 1hwk h GLU 466 Ca 0.49 -0.58 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1hwk h GLU 466 Cb 1.35 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1hwk h GLU 466 CO -0.16 1.20 0.16 0.82 -1.00 0.00 0.00 179.01 180.03 1hwk h ILE 467 N 0.30 1.22 -0.96 3.13 2.04 -0.58 -1.86 117.51 120.79 1hwk h ILE 467 Ca -0.10 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.11 1hwk h ILE 467 Cb 1.64 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1hwk h ILE 467 CO 0.18 0.25 0.62 0.40 0.00 0.00 0.00 178.15 179.61 1hwk h ILE 468 N 0.60 1.11 -0.32 -0.67 2.04 -1.33 0.16 117.51 119.10 1hwk h ILE 468 Ca 0.15 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1hwk h ILE 468 Cb 0.24 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1hwk h ILE 468 CO -0.01 0.21 -0.21 -0.61 0.00 0.00 0.00 178.15 177.53 1hwk h GLN 469 N 1.14 0.59 -0.30 2.37 4.15 -1.15 -0.93 115.11 120.99 1hwk h GLN 469 Ca 0.40 -0.21 -0.18 0.00 0.77 0.00 0.00 58.65 59.42 1hwk h GLN 469 Cb 0.12 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1hwk h GLN 469 CO -0.14 0.76 -0.52 -0.07 -1.93 0.00 0.00 178.83 176.92 1hwk h LEU 470 N 0.53 0.98 -0.27 -2.39 3.38 -0.34 -1.46 115.31 115.74 1hwk h LEU 470 Ca 0.08 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1hwk h LEU 470 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1hwk h LEU 470 CO 0.05 1.32 0.14 0.58 0.09 0.00 0.00 178.44 180.61 1hwk h VAL 471 N 0.67 1.13 -0.13 1.22 2.07 -0.42 -0.18 116.25 120.61 1hwk h VAL 471 Ca 0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1hwk h VAL 471 Cb 1.13 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1hwk h VAL 471 CO 0.12 0.13 -0.07 0.78 0.02 0.00 0.00 177.57 178.54 1hwk h ASN 472 N 0.31 0.30 -0.09 0.57 -0.26 -1.20 -2.00 115.58 113.21 1hwk h ASN 472 Ca 0.09 -0.43 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 1hwk h ASN 472 Cb 0.08 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1hwk h ASN 472 CO -0.01 0.66 0.00 0.00 -1.06 0.00 0.00 177.43 177.01 1hwk h ALA 473 N 0.65 0.11 -0.03 -0.83 0.00 -1.23 -3.01 119.26 114.92 1hwk h ALA 473 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1hwk h ALA 473 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1hwk h ALA 473 CO 0.02 -0.20 0.00 1.63 0.00 0.00 0.00 179.25 180.70 1hwk n LYS 474 N -4.84 1.38 -1.49 0.00 4.76 -0.08 -4.91 118.16 112.97 1hwk n LYS 474 Ca -0.06 -0.55 -0.11 0.00 -2.87 0.00 0.00 58.31 54.72 1hwk n LYS 474 Cb 0.19 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1hwk n LYS 474 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1hwk n HIS 475 N -0.31 -0.65 -2.39 2.13 8.25 -0.76 -4.91 115.22 116.58 1hwk n HIS 475 Ca 0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.23 1hwk n HIS 475 Cb 0.24 -2.31 -0.02 0.00 1.12 0.00 0.00 29.99 29.01 1hwk n HIS 475 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1hwk s ILE 476 N -2.01 4.21 0.53 1.59 1.01 -1.18 -4.97 121.20 120.40 1hwk s ILE 476 Ca 0.00 1.47 -0.18 0.00 0.00 0.00 0.00 60.65 61.94 1hwk s ILE 476 Cb 0.00 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 1hwk s ILE 476 CO 0.00 -0.12 0.14 -2.65 0.00 0.00 0.00 174.94 172.30 1hwk n PRO 477 N 6.60 0.20 0.23 2.79 -0.02 -1.26 -4.80 135.00 138.74 1hwk n PRO 477 Ca 0.14 0.08 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1hwk n PRO 477 Cb 0.45 -1.28 0.56 0.00 -0.02 0.00 0.00 33.50 33.20 1hwk n PRO 477 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hwk h ALA 478 N 0.09 1.39 0.00 3.55 0.00 -1.96 -2.71 119.26 119.62 1hwk h ALA 478 Ca -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1hwk h ALA 478 Cb 1.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1hwk h ALA 478 CO 0.44 0.26 0.00 2.48 0.00 0.00 0.00 179.25 182.43 1hwk n TYR 479 N -3.90 0.78 1.57 0.00 0.18 -1.26 -2.14 117.16 112.39 1hwk n TYR 479 Ca -0.02 0.28 0.04 0.00 1.88 0.00 0.00 57.90 60.09 1hwk n TYR 479 Cb 0.30 -0.96 0.17 0.00 -0.38 0.00 0.00 39.34 38.47 1hwk n TYR 479 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 1hwk n LYS 480 N -2.19 1.33 0.16 -3.48 3.00 -1.02 -4.32 118.16 111.64 1hwk n LYS 480 Ca 0.03 -0.51 -0.12 0.00 -0.00 0.00 0.00 58.31 57.71 1hwk n LYS 480 Cb 0.28 -1.17 -0.07 0.00 0.00 0.00 0.00 35.03 34.07 1hwk n LYS 480 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1hwk h LEU 481 N 0.87 -0.39 0.00 3.14 3.38 -1.60 -3.16 115.31 117.55 1hwk h LEU 481 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1hwk h LEU 481 Cb 0.20 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hwk h LEU 481 CO 0.00 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 1hwk n GLU 482 N -5.12 0.06 0.00 1.13 1.02 -1.26 0.12 120.64 116.59 1hwk n GLU 482 Ca -0.09 0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1hwk n GLU 482 Cb 0.27 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.38 1hwk n GLU 482 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1hwk n THR 483 N -1.40 0.00 0.00 2.62 -2.24 -1.21 -4.33 114.28 107.72 1hwk n THR 483 Ca 0.03 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1hwk n THR 483 Cb 0.10 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1hwk n THR 483 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1hwk n LEU 484 N 0.93 0.00 -4.88 3.22 0.00 -0.42 -5.08 117.00 110.77 1hwk n LEU 484 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.84 1hwk n LEU 484 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.90 1hwk n LEU 484 CO 0.17 0.00 0.21 -0.63 0.00 0.00 0.00 177.39 177.14 1hwk s ILE 485 N -1.41 4.94 0.00 1.96 1.09 0.12 -5.07 121.20 122.83 1hwk s ILE 485 Ca 0.00 0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 1hwk s ILE 485 Cb 0.00 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1hwk s ILE 485 CO 0.00 -0.09 0.46 -1.84 -0.10 0.00 0.00 174.94 173.37 1hwk n GLU 486 N -0.19 0.00 -2.55 2.79 0.28 -1.26 -4.79 120.64 114.92 1hwk n GLU 486 Ca 0.00 0.17 -0.27 0.00 -0.16 0.00 0.00 57.16 56.90 1hwk n GLU 486 Cb 0.52 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.44 1hwk n GLU 486 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1hwk s THR 487 N -0.92 4.72 0.09 3.84 -4.23 -1.26 -5.00 115.64 112.87 1hwk s THR 487 Ca 0.00 0.22 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 1hwk s THR 487 Cb 0.00 -3.81 -0.07 0.00 1.34 0.00 0.00 72.50 69.96 1hwk s THR 487 CO 0.00 -0.82 1.50 0.45 -0.54 0.00 0.00 174.62 175.21 1hwk h HIS 488 N 0.13 0.59 -0.47 3.99 3.86 -1.92 -3.09 115.15 118.24 1hwk h HIS 488 Ca -0.46 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 58.67 1hwk h HIS 488 Cb 1.21 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 29.49 1hwk h HIS 488 CO 0.57 0.71 0.23 1.49 0.86 0.00 0.00 177.93 181.80 1hwk h GLU 489 N 0.29 0.45 0.00 2.45 4.81 -1.94 -1.52 114.58 119.12 1hwk h GLU 489 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1hwk h GLU 489 Cb 0.51 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1hwk h GLU 489 CO 0.02 0.30 0.00 0.07 -0.73 0.00 0.00 179.01 178.67 1hwk h ARG 490 N 0.46 0.00 -0.42 1.92 -0.00 -1.98 -1.82 114.38 112.55 1hwk h ARG 490 Ca 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 60.07 1hwk h ARG 490 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.08 1hwk h ARG 490 CO -0.15 0.00 -0.21 0.78 -0.00 0.00 0.00 179.97 180.39 1hwk h GLY 491 N 3.31 0.96 1.60 0.08 0.00 -1.20 -0.86 103.07 106.96 1hwk h GLY 491 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 47.33 46.25 1hwk h GLY 491 CO 0.00 0.79 -0.91 -0.39 0.00 0.00 0.00 176.54 176.03 1hwk h VAL 492 N 0.70 1.42 -0.43 4.60 -1.51 -1.21 -2.62 116.25 117.20 1hwk h VAL 492 Ca 0.09 -2.46 0.06 0.00 -1.23 0.00 0.00 66.70 63.16 1hwk h VAL 492 Cb 0.78 2.40 -0.05 0.00 -2.13 0.00 0.00 31.29 32.29 1hwk h VAL 492 CO 0.06 0.73 0.14 -1.28 -1.23 0.00 0.00 177.57 175.99 1hwk h SER 493 N 0.21 0.12 -0.53 4.19 0.87 -1.12 0.35 113.55 117.64 1hwk h SER 493 Ca -0.07 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1hwk h SER 493 Cb 1.53 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.52 1hwk h SER 493 CO 0.15 0.10 0.24 0.40 -0.53 0.00 0.00 176.83 177.19 1hwk h ILE 494 N 0.29 1.20 -0.43 2.23 1.08 -1.15 -1.42 117.51 119.31 1hwk h ILE 494 Ca 0.20 -0.59 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 1hwk h ILE 494 Cb 0.21 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1hwk h ILE 494 CO -0.22 0.23 0.24 -0.09 -0.69 0.00 0.00 178.15 177.62 1hwk h ARG 495 N 0.71 0.47 -0.94 2.37 2.43 -0.74 0.18 114.38 118.85 1hwk h ARG 495 Ca 0.18 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1hwk h ARG 495 Cb 0.14 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1hwk h ARG 495 CO -0.02 0.31 0.57 0.00 -1.51 0.00 0.00 179.97 179.32 1hwk h ARG 496 N 0.48 1.27 -0.59 0.20 3.08 -0.12 0.75 114.38 119.45 1hwk h ARG 496 Ca 0.17 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1hwk h ARG 496 Cb 0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1hwk h ARG 496 CO -0.09 0.88 0.05 1.96 -1.07 0.00 0.00 179.97 181.70 1hwk h GLN 497 N 1.29 0.98 -0.49 0.04 4.20 -0.46 0.45 115.11 121.12 1hwk h GLN 497 Ca 0.34 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1hwk h GLN 497 Cb -0.07 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1hwk h GLN 497 CO -0.06 0.94 0.01 -0.07 -0.67 0.00 0.00 178.83 178.98 1hwk h LEU 498 N 0.91 0.84 -0.25 1.46 4.07 0.21 -3.20 115.31 119.36 1hwk h LEU 498 Ca 0.18 -0.30 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 1hwk h LEU 498 Cb 0.47 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1hwk h LEU 498 CO 0.02 0.93 -0.08 0.25 -1.08 0.00 0.00 178.44 178.48 1hwk h LEU 499 N 0.72 0.50 -1.46 1.67 5.85 -0.47 -3.24 115.31 118.88 1hwk h LEU 499 Ca 0.14 -0.39 0.22 0.00 0.84 0.00 0.00 57.88 58.69 1hwk h LEU 499 Cb 0.49 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1hwk h LEU 499 CO 0.02 0.77 0.62 0.28 -0.34 0.00 0.00 178.44 179.80 1hwk h SER 500 N 0.23 0.43 -0.10 1.25 0.02 -0.11 0.49 113.55 115.76 1hwk h SER 500 Ca 0.06 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1hwk h SER 500 Cb 0.57 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1hwk h SER 500 CO 0.03 0.15 -0.20 0.50 -1.14 0.00 0.00 176.83 176.18 1hwk h LYS 501 N 0.42 0.50 0.00 3.45 3.64 -1.57 -3.06 116.57 119.94 1hwk h LYS 501 Ca 0.50 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1hwk h LYS 501 Cb 1.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1hwk h LYS 501 CO -0.21 0.67 0.00 1.63 -2.27 0.00 0.00 179.45 179.28 1hwk n LYS 502 N -4.15 0.04 -2.87 1.90 5.02 0.15 -4.89 118.16 113.36 1hwk n LYS 502 Ca 0.00 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1hwk n LYS 502 Cb 0.37 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.22 3.88 0.47 -0.35 1.02 -1.16 -4.95 118.68 114.39 1hwk s LEU 503 Ca 0.13 1.30 0.31 0.00 0.02 0.00 0.00 54.13 55.89 1hwk s LEU 503 Cb 0.17 -4.16 1.27 0.00 0.02 0.00 0.00 46.19 43.49 1hwk s LEU 503 CO 0.52 -0.36 1.92 0.77 0.02 0.00 0.00 176.35 179.21 1hwk h SER 504 N 1.58 0.00 -2.99 2.29 4.64 -1.90 -3.31 113.55 113.87 1hwk h SER 504 Ca -0.47 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.25 1hwk h SER 504 Cb 1.18 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.88 1hwk h SER 504 CO 0.64 0.00 -0.80 -0.70 -0.87 0.00 0.00 176.83 175.09 1hwk s GLU 505 N -3.58 0.94 0.42 4.77 -6.30 -1.26 -5.00 118.70 108.69 1hwk s GLU 505 Ca 0.02 -1.73 0.20 0.00 -2.50 0.00 0.00 54.97 50.96 1hwk s GLU 505 Cb 0.09 -1.82 1.07 0.00 0.00 0.00 0.00 34.13 33.47 1hwk s GLU 505 CO 0.50 -1.20 1.54 -1.35 0.02 0.00 0.00 175.26 174.77 1hwk h PRO 506 N 6.76 0.00 -0.02 4.30 0.11 -1.69 -0.88 132.00 140.58 1hwk h PRO 506 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 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 0.38 0.00 -0.08 0.45 -0.21 0.00 0.00 178.00 178.53 1hwk n SER 507 N -2.32 1.69 -0.29 -2.05 2.88 -1.26 -4.55 113.62 107.72 1hwk n SER 507 Ca -0.01 -1.46 0.11 0.00 -1.33 0.00 0.00 58.87 56.18 1hwk n SER 507 Cb 0.28 0.06 0.26 0.00 -0.75 0.00 0.00 64.21 64.05 1hwk n SER 507 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hwk h SER 508 N 2.52 -0.00 0.94 -3.46 0.02 -1.53 -2.09 113.55 109.94 1hwk h SER 508 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1hwk h SER 508 Cb 0.60 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1hwk h SER 508 CO 0.00 -0.12 0.00 0.18 -1.14 0.00 0.00 176.83 175.75 1hwk n LEU 509 N -5.21 0.52 -0.25 5.07 4.77 -1.26 -4.29 117.00 116.34 1hwk n LEU 509 Ca 0.19 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.89 1hwk n LEU 509 Cb 0.61 -0.48 0.25 0.00 -2.33 0.00 0.00 43.42 41.47 1hwk n LEU 509 CO 0.08 -0.33 0.61 1.67 -1.33 0.00 0.00 177.39 178.09 1hwk n GLN 510 N -2.03 -0.06 -0.42 3.23 7.27 -0.79 0.62 117.38 125.20 1hwk n GLN 510 Ca 0.04 1.10 0.12 0.00 0.07 0.00 0.00 57.00 58.32 1hwk n GLN 510 Cb 0.29 -1.77 0.34 0.00 2.41 0.00 0.00 30.24 31.51 1hwk n GLN 510 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1hwk n TYR 511 N -4.98 1.08 -3.09 3.69 4.02 -1.26 -4.84 117.16 111.79 1hwk n TYR 511 Ca 0.19 -0.52 -0.43 0.00 -0.01 0.00 0.00 57.90 57.13 1hwk n TYR 511 Cb 0.62 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.14 4.48 0.64 7.72 0.20 0.20 -5.03 118.68 125.75 1hwk s LEU 512 Ca 0.50 -0.34 -0.18 0.00 0.69 0.00 0.00 54.13 54.80 1hwk s LEU 512 Cb 0.27 -2.75 -0.01 0.00 -0.43 0.00 0.00 46.19 43.27 1hwk s LEU 512 CO 0.33 -0.81 1.31 -2.84 -0.29 0.00 0.00 176.35 174.05 1hwk s PRO 513 N 2.89 2.59 0.00 0.98 0.02 -1.26 -4.89 135.00 135.33 1hwk s PRO 513 Ca 0.23 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1hwk s PRO 513 Cb -0.14 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1hwk s PRO 513 CO 0.19 -1.58 0.00 2.48 -0.33 0.00 0.00 177.00 177.76 1hwk n TYR 514 N -1.83 0.00 -2.08 6.54 0.18 -1.26 -1.84 117.16 116.87 1hwk n TYR 514 Ca 0.15 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.61 1hwk n TYR 514 Cb 0.48 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.44 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 -0.68 3.54 -1.20 -3.48 0.52 -1.26 -4.36 118.95 112.02 1hwk s ARG 515 Ca 0.00 1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 56.17 1hwk s ARG 515 Cb 0.00 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1hwk s ARG 515 CO 0.00 -0.62 0.83 -0.25 0.02 0.00 0.00 175.30 175.28 1hwk n ASP 516 N -2.13 -3.31 -3.84 0.23 8.00 -1.26 -5.03 116.55 109.22 1hwk n ASP 516 Ca 0.07 -0.79 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 1hwk n ASP 516 Cb 0.54 -4.44 -0.14 0.00 -0.02 0.00 0.00 41.12 37.06 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 -3.51 -0.05 -1.07 1.24 5.04 -1.26 -5.10 117.35 112.64 1hwk s TYR 517 Ca 0.19 0.16 -0.23 0.00 -2.44 0.00 0.00 57.07 54.75 1hwk s TYR 517 Cb -0.04 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.24 1hwk s TYR 517 CO 0.79 -0.04 1.77 1.21 -1.34 0.00 0.00 175.55 177.94 1hwk s ASN 518 N 0.24 5.78 0.27 4.32 2.47 -1.26 -4.80 114.94 121.96 1hwk s ASN 518 Ca -0.02 -1.43 0.26 0.00 0.42 0.00 0.00 52.86 52.09 1hwk s ASN 518 Cb -0.03 -2.57 0.80 0.00 -1.45 0.00 0.00 41.25 37.99 1hwk s ASN 518 CO -0.01 -2.21 1.75 1.88 -3.72 0.00 0.00 177.10 174.79 1hwk h TYR 519 N 9.86 0.00 -0.99 0.43 -1.99 -1.98 -3.31 116.97 118.99 1hwk h TYR 519 Ca 0.22 0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.03 1hwk h TYR 519 Cb 0.97 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.63 1hwk h TYR 519 CO 1.27 0.00 0.63 0.66 -0.00 0.00 0.00 178.16 180.72 1hwk h SER 520 N 0.00 0.99 1.30 3.88 4.64 -1.94 0.05 113.55 122.48 1hwk h SER 520 Ca 0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1hwk h SER 520 Cb 0.70 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1hwk h SER 520 CO 0.00 0.61 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.17 1hwk h LEU 521 N 1.11 0.00 0.19 5.97 4.07 -1.97 -3.30 115.31 121.38 1hwk h LEU 521 Ca 0.44 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 58.07 1hwk h LEU 521 Cb 0.25 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.01 1hwk h LEU 521 CO -0.20 0.33 -1.55 0.58 -1.08 0.00 0.00 178.44 176.52 1hwk h VAL 522 N 0.00 1.17 -2.97 1.22 2.07 -1.50 -3.40 116.25 112.84 1hwk h VAL 522 Ca -0.00 -2.70 -0.52 0.00 0.82 0.00 0.00 66.70 64.29 1hwk h VAL 522 Cb 1.07 2.89 0.06 0.00 -1.52 0.00 0.00 31.29 33.78 1hwk h VAL 522 CO 0.04 0.84 0.89 -0.04 0.02 0.00 0.00 177.57 179.32 1hwk s MET 523 N -2.60 4.19 -1.98 1.57 -1.94 -0.08 -0.95 119.30 117.51 1hwk s MET 523 Ca -0.11 2.44 0.00 0.00 -1.71 0.00 0.00 55.69 56.31 1hwk s MET 523 Cb 0.05 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1hwk s MET 523 CO 0.89 -0.61 0.00 0.41 -0.01 0.00 0.00 175.02 175.70 1hwk n GLY 524 N 3.27 1.82 1.58 -0.03 0.00 -1.26 -4.71 105.19 105.85 1hwk n GLY 524 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.35 2.21 0.00 4.61 0.00 -0.99 -5.03 120.51 122.66 1hwk n ALA 525 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1hwk n ALA 525 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.44 1.49 -1.54 0.00 8.01 -1.26 -4.42 118.70 118.54 1hwk s GLU 528 Ca -0.02 -1.74 -0.09 0.00 0.01 0.00 0.00 54.97 53.12 1hwk s GLU 528 Cb -0.01 -1.04 0.08 0.00 -4.31 0.00 0.00 34.13 28.85 1hwk s GLU 528 CO -0.03 0.02 0.65 0.09 0.01 0.00 0.00 175.26 176.00 1hwk n ASN 529 N -0.53 -2.12 -4.71 -0.19 3.02 -1.26 -4.86 115.26 104.60 1hwk n ASN 529 Ca -0.06 -0.98 -0.42 0.00 -0.03 0.00 0.00 54.58 53.10 1hwk n ASN 529 Cb 0.63 -3.06 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 1hwk n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hwk s VAL 530 N -3.60 2.73 0.00 2.41 1.01 -1.26 -4.91 120.40 116.78 1hwk s VAL 530 Ca 0.39 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1hwk s VAL 530 Cb -0.21 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1hwk s VAL 530 CO 0.90 0.03 0.94 2.30 0.00 0.00 0.00 175.10 179.26 1hwk n ILE 531 N 4.15 0.88 -0.34 2.22 -5.35 -1.26 -4.66 119.36 114.99 1hwk n ILE 531 Ca 0.14 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1hwk n ILE 531 Cb 0.39 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 -0.44 0.54 3.15 3.28 0.00 -1.26 -4.82 105.19 105.65 1hwk n GLY 532 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.61 0.12 -0.31 1.61 -0.85 -0.77 -4.97 117.35 108.58 1hwk s TYR 533 Ca 0.00 -0.37 -0.07 0.00 -0.52 0.00 0.00 57.07 56.11 1hwk s TYR 533 Cb 0.00 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.27 1hwk s TYR 533 CO 0.00 -0.39 0.09 1.41 -1.52 0.00 0.00 175.55 175.14 1hwk s MET 534 N -2.52 2.96 -0.10 -3.49 -2.45 -1.26 -4.21 119.30 108.23 1hwk s MET 534 Ca -0.06 -0.94 -0.30 0.00 -1.25 0.00 0.00 55.69 53.14 1hwk s MET 534 Cb -0.01 -3.40 -0.02 0.00 1.25 0.00 0.00 34.83 32.65 1hwk s MET 534 CO -0.04 -0.51 1.13 -2.14 1.05 0.00 0.00 175.02 174.52 1hwk s PRO 535 N 1.47 4.35 -0.20 4.11 0.02 -1.26 -5.03 135.00 138.47 1hwk s PRO 535 Ca 0.01 1.56 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 1hwk s PRO 535 Cb -0.18 -3.58 -0.01 0.00 0.02 0.00 0.00 34.50 30.75 1hwk s PRO 535 CO 0.03 -0.45 -0.06 0.42 -0.33 0.00 0.00 177.00 176.60 1hwk s ILE 536 N 2.38 3.34 0.27 2.83 -1.09 -1.26 -5.08 121.20 122.59 1hwk s ILE 536 Ca 0.52 -0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 1hwk s ILE 536 Cb -0.22 -2.49 -0.13 0.00 -1.58 0.00 0.00 42.46 38.05 1hwk s ILE 536 CO 0.18 0.45 1.41 -2.65 -1.23 0.00 0.00 174.94 173.11 1hwk n PRO 537 N 4.41 2.16 -4.17 2.79 -0.02 -1.26 -4.76 135.00 134.16 1hwk n PRO 537 Ca -0.18 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1hwk n PRO 537 Cb 0.51 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 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 -0.27 3.09 0.39 -1.45 1.01 -1.26 -1.48 120.40 120.43 1hwk s VAL 538 Ca 0.65 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.10 1hwk s VAL 538 Cb -0.61 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1hwk s VAL 538 CO 0.52 0.47 0.13 -0.83 0.00 0.00 0.00 175.10 175.39 1hwk s GLY 539 N 1.14 2.25 -0.04 4.51 0.00 0.22 -4.91 107.32 110.49 1hwk s GLY 539 Ca 0.01 -2.06 0.05 0.00 0.00 0.00 0.00 44.72 42.72 1hwk s GLY 539 CO -0.02 -1.91 -0.19 0.54 0.00 0.00 0.00 173.10 171.52 1hwk s VAL 540 N -2.57 1.58 -0.09 1.40 0.11 -1.26 -0.62 120.40 118.95 1hwk s VAL 540 Ca 0.39 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1hwk s VAL 540 Cb 0.03 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1hwk s VAL 540 CO 0.22 0.45 -0.22 0.00 -3.33 0.00 0.00 175.10 172.21 1hwk s ALA 541 N -0.06 2.02 0.00 1.54 0.00 -0.28 -4.94 121.76 120.04 1hwk s ALA 541 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1hwk s ALA 541 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1hwk s ALA 541 CO 0.02 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1hwk n GLY 542 N 3.52 -2.22 3.77 0.00 0.00 -1.26 -0.81 105.19 108.19 1hwk n GLY 542 Ca -0.19 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.91 4.04 -0.38 1.61 0.04 -1.26 -4.94 135.00 132.20 1hwk s PRO 543 Ca 0.00 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1hwk s PRO 543 Cb 0.00 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1hwk s PRO 543 CO 0.00 -0.30 0.28 -1.17 0.04 0.00 0.00 177.00 175.85 1hwk s LEU 544 N -2.62 4.90 -0.64 -3.56 2.96 0.86 -4.65 118.68 115.93 1hwk s LEU 544 Ca 0.58 -0.73 -0.23 0.00 -0.22 0.00 0.00 54.13 53.53 1hwk s LEU 544 Cb -0.28 -2.15 0.06 0.00 0.50 0.00 0.00 46.19 44.32 1hwk s LEU 544 CO 0.34 -0.37 1.00 0.00 -1.32 0.00 0.00 176.35 176.00 1hwk s LEU 546 N 4.24 1.30 -1.49 0.00 2.96 -0.64 -0.39 118.68 124.66 1hwk s LEU 546 Ca 0.26 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1hwk s LEU 546 Cb -0.15 -0.66 0.06 0.00 0.50 0.00 0.00 46.19 45.94 1hwk s LEU 546 CO 0.13 -0.06 0.68 0.47 -1.32 0.00 0.00 176.35 176.26 1hwk n ASP 547 N 4.32 -2.19 -1.36 3.68 8.00 0.88 -1.82 116.55 128.06 1hwk n ASP 547 Ca -0.19 -0.92 -0.16 0.00 0.71 0.00 0.00 54.79 54.23 1hwk n ASP 547 Cb 0.51 -3.36 -0.06 0.00 -0.02 0.00 0.00 41.12 38.19 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 -4.44 -1.16 -4.47 -1.24 1.02 -1.26 -4.99 120.64 104.10 1hwk n GLU 548 Ca -0.14 1.01 -0.22 0.00 -0.02 0.00 0.00 57.16 57.79 1hwk n GLU 548 Cb 0.60 -5.24 -0.11 0.00 -0.02 0.00 0.00 31.44 26.68 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 -3.67 1.65 -0.10 3.49 1.02 -0.76 -5.15 119.74 116.23 1hwk s LYS 549 Ca 0.00 -1.88 0.02 0.00 0.02 0.00 0.00 55.97 54.13 1hwk s LYS 549 Cb 0.00 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.20 1hwk s LYS 549 CO 0.00 -0.06 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.00 1hwk s GLU 550 N -3.79 2.26 0.00 1.68 2.02 -1.26 -1.62 118.70 117.99 1hwk s GLU 550 Ca 0.33 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 54.81 1hwk s GLU 550 Cb 0.07 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 1hwk s GLU 550 CO 0.14 -0.03 -0.23 -0.06 0.02 0.00 0.00 175.26 175.10 1hwk s PHE 551 N 0.89 2.42 -0.39 1.61 0.40 -0.32 -4.88 117.98 117.70 1hwk s PHE 551 Ca -0.09 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.81 1hwk s PHE 551 Cb -0.15 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1hwk s PHE 551 CO -0.00 0.09 0.21 -0.65 0.70 0.00 0.00 175.22 175.56 1hwk s GLN 552 N -0.93 2.53 -0.33 0.44 -1.52 -1.26 -0.10 119.66 118.49 1hwk s GLN 552 Ca 0.11 -1.42 -0.21 0.00 -1.95 0.00 0.00 55.36 51.89 1hwk s GLN 552 Cb -0.10 -3.66 -0.00 0.00 -0.22 0.00 0.00 33.01 29.03 1hwk s GLN 552 CO 0.01 -0.88 0.67 0.08 -0.25 0.00 0.00 175.29 174.92 1hwk s VAL 553 N 1.38 4.88 0.11 1.09 1.01 0.01 -4.61 120.40 124.26 1hwk s VAL 553 Ca 0.02 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 1hwk s VAL 553 Cb -0.22 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1hwk s VAL 553 CO 0.01 -0.25 1.05 -2.16 0.00 0.00 0.00 175.10 173.76 1hwk s PRO 554 N 2.75 4.60 -0.15 2.72 0.04 -1.26 -1.12 135.00 142.57 1hwk s PRO 554 Ca 0.26 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 1hwk s PRO 554 Cb -0.14 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 31.10 1hwk s PRO 554 CO 0.14 0.05 0.03 -1.64 0.04 0.00 0.00 177.00 175.61 1hwk s MET 555 N 0.18 0.55 -0.43 4.56 -1.94 0.21 -4.39 119.30 118.05 1hwk s MET 555 Ca 0.50 -0.18 -0.20 0.00 -1.71 0.00 0.00 55.69 54.10 1hwk s MET 555 Cb -0.26 -1.66 0.02 0.00 2.01 0.00 0.00 34.83 34.94 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 1.94 3.37 0.19 3.03 0.00 -0.37 -0.61 121.76 129.30 1hwk s ALA 556 Ca 0.02 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.59 1hwk s ALA 556 Cb -0.15 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1hwk s ALA 556 CO -0.07 -1.72 0.49 -0.08 0.00 0.00 0.00 175.76 174.38 1hwk s THR 557 N 2.72 0.03 -0.01 0.00 -1.32 -0.55 -4.27 115.64 112.25 1hwk s THR 557 Ca 0.21 -0.81 0.01 0.00 -1.21 0.00 0.00 61.69 59.89 1hwk s THR 557 Cb -0.15 -1.56 0.01 0.00 -1.51 0.00 0.00 72.50 69.30 1hwk s THR 557 CO 0.18 -0.15 0.95 0.35 -2.21 0.00 0.00 174.62 173.74 1hwk n THR 558 N -0.32 0.93 -3.25 5.08 -2.24 -1.26 -4.09 114.28 109.13 1hwk n THR 558 Ca -0.10 -0.94 -0.42 0.00 -2.27 0.00 0.00 64.05 60.32 1hwk n THR 558 Cb 0.63 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.96 3.55 0.37 -0.78 2.12 -1.26 -5.04 118.70 116.69 1hwk s GLU 559 Ca 0.01 -0.25 -0.28 0.00 0.36 0.00 0.00 54.97 54.81 1hwk s GLU 559 Cb 0.01 -3.83 -0.11 0.00 0.26 0.00 0.00 34.13 30.46 1hwk s GLU 559 CO 0.00 -0.68 1.44 0.41 -0.54 0.00 0.00 175.26 175.89 1hwk n GLY 560 N 4.85 1.05 3.26 -1.50 0.00 -1.26 -2.56 105.19 109.03 1hwk n GLY 560 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.05 -0.52 0.00 5.85 -1.93 0.15 115.31 118.81 1hwk h LEU 562 Ca 0.00 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1hwk h LEU 562 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1hwk h LEU 562 CO 0.00 0.14 0.18 0.58 -0.34 0.00 0.00 178.44 179.00 1hwk h VAL 563 N -0.25 1.22 -0.21 1.05 2.07 -1.91 -1.13 116.25 117.10 1hwk h VAL 563 Ca -0.01 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1hwk h VAL 563 Cb 0.22 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1hwk h VAL 563 CO 0.01 0.27 0.07 0.00 0.02 0.00 0.00 177.57 177.95 1hwk h ALA 564 N 1.03 0.24 -0.52 1.67 0.00 -1.90 0.12 119.26 119.90 1hwk h ALA 564 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1hwk h ALA 564 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1hwk h ALA 564 CO -0.01 -0.35 0.18 1.03 0.00 0.00 0.00 179.25 180.10 1hwk h SER 565 N 0.18 0.74 -0.52 0.00 0.87 -0.60 -1.08 113.55 113.14 1hwk h SER 565 Ca 0.09 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1hwk h SER 565 Cb 0.06 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1hwk h SER 565 CO -0.09 0.73 0.10 0.74 -0.53 0.00 0.00 176.83 177.79 1hwk h THR 566 N 0.71 1.24 -0.50 2.23 2.02 -0.85 -1.96 112.91 115.80 1hwk h THR 566 Ca 0.17 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1hwk h THR 566 Cb 0.25 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1hwk h THR 566 CO -0.01 0.34 0.22 -1.13 0.37 0.00 0.00 175.52 175.30 1hwk h ASN 567 N 0.85 0.67 -0.96 4.18 -0.00 -0.42 -0.94 115.58 118.97 1hwk h ASN 567 Ca 0.18 -0.15 0.04 0.00 -0.00 0.00 0.00 56.30 56.37 1hwk h ASN 567 Cb 0.36 -0.17 -0.06 0.00 -0.00 0.00 0.00 38.32 38.45 1hwk h ASN 567 CO 0.01 0.64 0.63 -0.09 -0.00 0.00 0.00 177.43 178.61 1hwk h ARG 568 N 0.66 1.16 -0.61 6.67 2.43 -0.75 -0.90 114.38 123.02 1hwk h ARG 568 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1hwk h ARG 568 Cb 0.17 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1hwk h ARG 568 CO -0.02 0.76 0.26 0.78 -1.51 0.00 0.00 179.97 180.25 1hwk h GLY 569 N 1.19 0.98 1.07 2.80 0.00 -0.78 -2.02 103.07 106.31 1hwk h GLY 569 Ca 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1hwk h GLY 569 CO -0.12 0.49 0.59 0.00 0.00 0.00 0.00 176.54 177.50 1hwk h ARG 571 N 1.27 0.22 -0.58 0.00 9.65 -0.63 -0.60 114.38 123.72 1hwk h ARG 571 Ca 0.34 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 1hwk h ARG 571 Cb -0.11 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 1hwk h ARG 571 CO -0.07 0.14 0.33 0.00 2.80 0.00 0.00 179.97 183.18 1hwk h ALA 572 N 1.07 1.50 -0.21 2.80 0.00 -1.17 -1.68 119.26 121.57 1hwk h ALA 572 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1hwk h ALA 572 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1hwk h ALA 572 CO -0.02 0.42 -0.24 0.82 0.00 0.00 0.00 179.25 180.23 1hwk h ILE 573 N 0.79 1.33 -0.65 0.00 2.04 -0.94 -2.65 117.51 117.43 1hwk h ILE 573 Ca 0.21 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1hwk h ILE 573 Cb -0.01 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1hwk h ILE 573 CO -0.04 0.44 0.43 1.23 0.00 0.00 0.00 178.15 180.21 1hwk h GLY 574 N 0.22 0.92 2.00 5.37 0.00 -0.75 -0.79 103.07 110.04 1hwk h GLY 574 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1hwk h GLY 574 CO 0.06 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.98 1hwk n LEU 575 N -4.63 0.41 -0.97 3.11 4.77 -0.66 -2.20 117.00 116.83 1hwk n LEU 575 Ca 0.05 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1hwk n LEU 575 Cb 0.02 -0.56 0.23 0.00 -2.33 0.00 0.00 43.42 40.79 1hwk n LEU 575 CO 0.36 -0.47 0.71 0.61 -1.33 0.00 0.00 177.39 177.27 1hwk n GLY 576 N -0.11 1.20 0.29 -0.72 0.00 -0.52 -4.87 105.19 100.46 1hwk n GLY 576 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.39 0.93 0.00 -0.02 0.00 -0.93 -4.70 105.19 101.85 1hwk n GLY 577 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.14 -1.11 3.60 -0.02 0.00 -0.42 -5.00 105.19 100.09 1hwk n GLY 578 Ca 0.00 -1.63 -0.27 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 -1.71 3.03 0.05 4.61 0.00 0.47 -4.59 121.76 123.62 1hwk s ALA 579 Ca 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.63 1hwk s ALA 579 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1hwk s ALA 579 CO 0.00 0.48 -0.26 -1.12 0.00 0.00 0.00 175.76 174.86 1hwk s SER 580 N -2.83 3.13 0.05 0.00 0.01 -0.52 -0.08 113.70 113.46 1hwk s SER 580 Ca 0.25 -0.59 -0.04 0.00 1.31 0.00 0.00 55.95 56.88 1hwk s SER 580 Cb -0.09 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1hwk s SER 580 CO 0.16 0.25 0.06 -0.94 0.41 0.00 0.00 173.24 173.18 1hwk s SER 581 N -1.27 0.28 -0.04 2.44 1.04 -1.26 -0.95 113.70 113.95 1hwk s SER 581 Ca 0.12 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 1hwk s SER 581 Cb -0.10 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1hwk s SER 581 CO 0.02 -0.57 0.12 -0.13 0.98 0.00 0.00 173.24 173.66 1hwk s ARG 582 N -3.22 0.15 -0.26 4.02 1.81 -0.24 -5.00 118.95 116.22 1hwk s ARG 582 Ca 0.00 0.14 -0.19 0.00 -1.72 0.00 0.00 55.73 53.96 1hwk s ARG 582 Cb 0.03 0.07 -0.02 0.00 -0.45 0.00 0.00 34.95 34.58 1hwk s ARG 582 CO -0.07 -0.02 0.57 0.08 -0.68 0.00 0.00 175.30 175.17 1hwk s VAL 583 N -0.01 5.03 -0.07 3.52 1.01 -1.26 -1.77 120.40 126.85 1hwk s VAL 583 Ca -0.01 1.00 0.14 0.00 0.00 0.00 0.00 61.98 63.11 1hwk s VAL 583 Cb -0.01 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.28 1hwk s VAL 583 CO 0.00 0.06 0.65 0.18 0.00 0.00 0.00 175.10 175.99 1hwk n LEU 584 N 5.59 0.80 -3.47 3.92 4.77 0.78 -5.00 117.00 124.39 1hwk n LEU 584 Ca -0.02 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1hwk n LEU 584 Cb 0.49 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1hwk n LEU 584 CO 0.42 0.35 0.41 0.00 -1.33 0.00 0.00 177.39 177.23 1hwk s ALA 585 N -2.66 -1.65 -0.18 -1.18 0.00 -1.20 -4.96 121.76 109.93 1hwk s ALA 585 Ca -0.05 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1hwk s ALA 585 Cb 0.08 0.50 0.09 0.00 0.00 0.00 0.00 23.12 23.79 1hwk s ALA 585 CO 0.82 -0.59 0.29 0.34 0.00 0.00 0.00 175.76 176.62 1hwk s ASP 586 N -2.08 0.61 0.00 0.00 2.15 -1.25 -1.06 116.67 115.04 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 0.74 0.00 0.00 -0.30 0.00 0.00 42.92 43.35 1hwk s ASP 586 CO -0.03 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 1hwk n GLY 587 N 5.35 0.41 3.82 2.66 0.00 0.82 -4.51 105.19 113.73 1hwk n GLY 587 Ca -0.05 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.31 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 0.23 1.61 1.75 -0.49 -0.34 119.30 125.69 1hwk s MET 588 Ca 0.00 1.14 0.04 0.00 -1.25 0.00 0.00 55.69 55.62 1hwk s MET 588 Cb 0.00 -2.08 -0.05 0.00 2.84 0.00 0.00 34.83 35.54 1hwk s MET 588 CO 0.00 -0.55 -0.02 0.95 -0.65 0.00 0.00 175.02 174.75 1hwk s THR 589 N -2.44 1.13 -0.14 10.11 -4.23 -1.26 -1.51 115.64 117.30 1hwk s THR 589 Ca 0.62 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1hwk s THR 589 Cb -0.14 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.44 1hwk s THR 589 CO 0.32 -0.35 0.33 -0.60 -0.54 0.00 0.00 174.62 173.77 1hwk s ARG 590 N -3.83 0.27 -0.70 3.99 6.06 -0.87 -4.93 118.95 118.94 1hwk s ARG 590 Ca 0.28 0.73 0.05 0.00 -2.50 0.00 0.00 55.73 54.28 1hwk s ARG 590 Cb 0.05 -0.01 0.17 0.00 0.06 0.00 0.00 34.95 35.22 1hwk s ARG 590 CO 0.08 -0.20 0.49 0.20 -2.50 0.00 0.00 175.30 173.38 1hwk s GLY 591 N 1.70 2.93 0.83 8.12 0.00 -1.26 -0.77 107.32 118.87 1hwk s GLY 591 Ca -0.06 -3.82 -0.10 0.00 0.00 0.00 0.00 44.72 40.73 1hwk s GLY 591 CO -0.11 1.08 1.11 2.56 0.00 0.00 0.00 173.10 177.74 1hwk s PRO 592 N -1.40 1.75 -0.13 2.90 0.04 -1.15 -0.23 135.00 136.78 1hwk s PRO 592 Ca 0.24 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1hwk s PRO 592 Cb -0.06 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1hwk s PRO 592 CO -0.16 -2.04 -0.22 0.54 0.04 0.00 0.00 177.00 175.16 1hwk s VAL 593 N -2.81 2.18 0.29 -0.36 0.11 -0.69 -2.17 120.40 116.96 1hwk s VAL 593 Ca 0.63 -0.95 0.11 0.00 -2.93 0.00 0.00 61.98 58.83 1hwk s VAL 593 Cb -0.19 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.74 1hwk s VAL 593 CO 0.57 0.55 -0.16 0.68 -3.33 0.00 0.00 175.10 173.41 1hwk s VAL 594 N 0.60 2.29 0.02 2.04 -7.23 -0.16 -1.84 120.40 116.12 1hwk s VAL 594 Ca -0.12 -2.31 0.03 0.00 -1.81 0.00 0.00 61.98 57.77 1hwk s VAL 594 Cb -0.17 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 1hwk s VAL 594 CO 0.03 -0.35 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.23 1hwk s ARG 595 N -3.56 0.78 0.35 4.82 0.52 0.23 -0.62 118.95 121.46 1hwk s ARG 595 Ca 0.30 -0.53 0.09 0.00 -0.52 0.00 0.00 55.73 55.06 1hwk s ARG 595 Cb -0.02 -0.74 -0.05 0.00 0.52 0.00 0.00 34.95 34.66 1hwk s ARG 595 CO 0.15 0.19 0.07 -0.51 0.02 0.00 0.00 175.30 175.21 1hwk s LEU 596 N -0.71 3.08 0.34 2.53 2.01 -0.60 -0.78 118.68 124.55 1hwk s LEU 596 Ca 0.01 -0.93 0.03 0.00 0.01 0.00 0.00 54.13 53.25 1hwk s LEU 596 Cb -0.06 -1.48 0.62 0.00 0.01 0.00 0.00 46.19 45.28 1hwk s LEU 596 CO 0.00 -0.29 1.95 -0.65 1.01 0.00 0.00 176.35 178.38 1hwk h PRO 597 N 1.69 0.71 -4.37 1.29 0.11 -1.87 -3.45 132.00 126.10 1hwk h PRO 597 Ca -0.43 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 1hwk h PRO 597 Cb 1.25 -0.14 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 1hwk h PRO 597 CO 0.66 0.56 -0.70 1.03 -0.21 0.00 0.00 178.00 179.34 1hwk s ARG 598 N -5.40 0.62 0.46 1.05 1.81 -1.26 -4.99 118.95 111.24 1hwk s ARG 598 Ca -0.09 -1.10 0.12 0.00 -1.72 0.00 0.00 55.73 52.94 1hwk s ARG 598 Cb 0.17 0.00 1.03 0.00 -0.45 0.00 0.00 34.95 35.70 1hwk s ARG 598 CO 0.77 -0.05 2.05 0.00 -0.68 0.00 0.00 175.30 177.39 1hwk h ALA 599 N 3.49 1.78 -0.05 2.13 0.00 -1.87 -0.03 119.26 124.71 1hwk h ALA 599 Ca -0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1hwk h ALA 599 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1hwk h ALA 599 CO 0.59 0.17 -0.18 0.00 0.00 0.00 0.00 179.25 179.82 1hwk h ASP 601 N 0.07 0.31 -0.56 0.00 3.32 -1.43 -2.79 116.42 115.34 1hwk h ASP 601 Ca 0.01 -0.89 0.01 0.00 0.02 0.00 0.00 57.03 56.19 1hwk h ASP 601 Cb 0.37 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1hwk h ASP 601 CO 0.03 1.17 0.37 0.77 -1.72 0.00 0.00 179.24 179.86 1hwk h SER 602 N -0.50 0.62 -0.52 6.45 4.64 -1.21 -0.64 113.55 122.39 1hwk h SER 602 Ca -0.07 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1hwk h SER 602 Cb 1.28 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1hwk h SER 602 CO 0.09 0.45 0.12 0.00 -0.87 0.00 0.00 176.83 176.61 1hwk h ALA 603 N 1.66 1.13 -0.55 5.18 0.00 -1.10 -0.83 119.26 124.75 1hwk h ALA 603 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1hwk h ALA 603 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1hwk h ALA 603 CO -0.05 0.58 0.09 1.49 0.00 0.00 0.00 179.25 181.36 1hwk h GLU 604 N 0.86 0.90 -0.69 0.00 4.81 -0.88 -1.41 114.58 118.16 1hwk h GLU 604 Ca 0.18 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1hwk h GLU 604 Cb 0.34 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1hwk h GLU 604 CO 0.00 0.87 0.15 0.28 -0.73 0.00 0.00 179.01 179.58 1hwk h VAL 605 N 0.79 1.26 -0.34 0.32 2.07 -0.71 -0.45 116.25 119.19 1hwk h VAL 605 Ca 0.17 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1hwk h VAL 605 Cb 0.41 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1hwk h VAL 605 CO 0.01 0.38 0.20 0.50 0.02 0.00 0.00 177.57 178.68 1hwk h LYS 606 N 1.06 0.47 -0.64 1.57 3.64 -0.88 0.89 116.57 122.67 1hwk h LYS 606 Ca 0.21 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1hwk h LYS 606 Cb 0.40 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1hwk h LYS 606 CO 0.01 0.37 0.10 0.00 -2.27 0.00 0.00 179.45 177.65 1hwk h ALA 607 N 1.08 0.96 -0.27 5.00 0.00 -1.05 -2.23 119.26 122.74 1hwk h ALA 607 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1hwk h ALA 607 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1hwk h ALA 607 CO -0.02 0.65 0.12 2.35 0.00 0.00 0.00 179.25 182.35 1hwk h TRP 608 N 0.99 0.40 0.00 0.00 7.01 -0.64 -1.76 115.95 121.95 1hwk h TRP 608 Ca 0.20 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1hwk h TRP 608 Cb 0.43 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1hwk h TRP 608 CO 0.03 0.39 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.98 1hwk h LEU 609 N 0.30 0.00 0.00 0.65 3.38 -0.63 -2.53 115.31 116.48 1hwk h LEU 609 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hwk h LEU 609 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1hwk h LEU 609 CO -0.01 0.02 -0.46 -0.62 0.09 0.00 0.00 178.44 177.46 1hwk n GLU 610 N -3.25 0.01 -2.29 1.13 1.02 -0.69 -3.99 120.64 112.57 1hwk n GLU 610 Ca -0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 1hwk n GLU 610 Cb 0.15 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 -3.01 4.63 0.29 2.62 -4.23 -0.95 -4.95 115.64 110.04 1hwk s THR 611 Ca 0.11 1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 61.62 1hwk s THR 611 Cb 0.17 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 70.45 1hwk s THR 611 CO 0.69 -0.82 1.90 0.77 -0.54 0.00 0.00 174.62 176.61 1hwk h SER 612 N 0.55 0.83 0.18 3.99 4.64 -1.90 -2.33 113.55 119.51 1hwk h SER 612 Ca -0.46 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 60.57 1hwk h SER 612 Cb 1.19 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1hwk h SER 612 CO 0.62 0.71 -0.79 1.05 -0.87 0.00 0.00 176.83 177.55 1hwk h GLU 613 N 0.92 0.49 -0.45 4.77 9.09 -1.93 -2.61 114.58 124.86 1hwk h GLU 613 Ca 0.22 -0.43 -0.03 0.00 0.05 0.00 0.00 59.36 59.17 1hwk h GLU 613 Cb 0.10 0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 1hwk h GLU 613 CO -0.03 1.06 0.15 0.78 0.05 0.00 0.00 179.01 181.03 1hwk h GLY 614 N 1.10 0.74 1.02 1.06 0.00 -1.66 -2.61 103.07 102.72 1hwk h GLY 614 Ca -0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1hwk h GLY 614 CO 0.14 0.40 0.21 -2.75 0.00 0.00 0.00 176.54 174.54 1hwk h PHE 615 N 0.59 1.04 -0.53 5.60 3.57 -1.43 -2.77 116.94 123.02 1hwk h PHE 615 Ca 0.15 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1hwk h PHE 615 Cb 0.24 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1hwk h PHE 615 CO 0.01 0.85 0.31 0.00 -2.23 0.00 0.00 178.31 177.24 1hwk h ALA 616 N 1.08 0.68 -0.38 2.41 0.00 -1.27 0.35 119.26 122.13 1hwk h ALA 616 Ca 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1hwk h ALA 616 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1hwk h ALA 616 CO -0.01 0.01 -0.15 -0.39 0.00 0.00 0.00 179.25 178.71 1hwk h VAL 617 N 0.61 1.26 -0.13 0.00 -1.51 -1.39 0.99 116.25 116.07 1hwk h VAL 617 Ca 0.22 -1.18 -0.04 0.00 -1.23 0.00 0.00 66.70 64.47 1hwk h VAL 617 Cb 0.04 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1hwk h VAL 617 CO -0.11 0.40 -0.06 0.40 -1.23 0.00 0.00 177.57 176.96 1hwk h ILE 618 N 0.62 1.32 -0.91 7.19 1.08 -1.15 -1.66 117.51 124.00 1hwk h ILE 618 Ca 0.10 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1hwk h ILE 618 Cb 0.60 1.78 -0.05 0.00 -3.07 0.00 0.00 36.82 36.09 1hwk h ILE 618 CO 0.04 0.32 0.60 0.50 -0.69 0.00 0.00 178.15 178.92 1hwk h LYS 619 N -0.08 1.18 -0.38 2.37 3.64 -0.15 0.91 116.57 124.05 1hwk h LYS 619 Ca 0.03 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1hwk h LYS 619 Cb 0.53 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1hwk h LYS 619 CO 0.02 0.78 0.23 1.49 -2.27 0.00 0.00 179.45 179.69 1hwk h GLU 620 N 1.21 0.53 -0.39 1.90 4.81 -0.70 0.22 114.58 122.16 1hwk h GLU 620 Ca 0.34 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1hwk h GLU 620 Cb -0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1hwk h GLU 620 CO -0.08 0.40 0.10 0.00 -0.73 0.00 0.00 179.01 178.70 1hwk h ALA 621 N 1.09 0.52 0.02 2.92 0.00 -0.71 -2.64 119.26 120.47 1hwk h ALA 621 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hwk h ALA 621 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1hwk h ALA 621 CO -0.02 0.19 -0.01 0.35 0.00 0.00 0.00 179.25 179.75 1hwk h PHE 622 N 0.49 -0.03 0.00 0.00 3.57 -0.50 -3.14 116.94 117.33 1hwk h PHE 622 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1hwk h PHE 622 Cb 0.31 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1hwk h PHE 622 CO 0.02 0.08 0.00 -0.44 -2.23 0.00 0.00 178.31 175.73 1hwk h ASP 623 N -0.13 0.00 0.09 0.41 3.32 -0.53 -3.07 116.42 116.52 1hwk h ASP 623 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hwk h ASP 623 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1hwk h ASP 623 CO 0.01 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.99 1hwk n SER 624 N -2.92 0.00 0.09 6.45 3.41 -1.00 -3.30 113.62 116.35 1hwk n SER 624 Ca -0.00 -0.55 0.08 0.00 -0.26 0.00 0.00 58.87 58.15 1hwk n SER 624 Cb 0.23 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 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 0.15 -2.46 6.66 1.35 -1.71 -3.48 112.91 113.42 1hwk h THR 625 Ca 0.00 -1.29 0.02 0.00 -0.55 0.00 0.00 66.41 64.59 1hwk h THR 625 Cb 0.05 1.69 -0.15 0.00 -1.73 0.00 0.00 68.15 68.00 1hwk h THR 625 CO 0.00 0.09 0.32 -0.55 -0.25 0.00 0.00 175.52 175.12 1hwk s SER 626 N -5.55 -0.51 0.42 5.36 0.15 -1.21 -5.01 113.70 107.35 1hwk s SER 626 Ca -0.01 0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.01 1hwk s SER 626 Cb 0.09 0.50 0.92 0.00 -1.71 0.00 0.00 66.02 65.82 1hwk s SER 626 CO 0.79 -0.74 1.88 0.03 1.20 0.00 0.00 173.24 176.40 1hwk h ARG 627 N 2.26 0.00 0.00 5.44 3.08 -1.94 -3.10 114.38 120.12 1hwk h ARG 627 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1hwk h ARG 627 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1hwk h ARG 627 CO 0.36 0.29 -1.07 1.19 -1.07 0.00 0.00 179.97 179.66 1hwk n PHE 628 N -3.87 0.24 -2.18 3.04 3.01 -1.26 -4.86 117.46 111.58 1hwk n PHE 628 Ca -0.02 0.07 -0.41 0.00 1.01 0.00 0.00 57.45 58.10 1hwk n PHE 628 Cb 0.37 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 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 -3.20 2.66 -0.40 4.37 0.00 -1.17 -4.24 121.76 119.78 1hwk s ALA 629 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1hwk s ALA 629 Cb 0.14 -4.12 0.12 0.00 0.00 0.00 0.00 23.12 19.26 1hwk s ALA 629 CO 0.81 -3.09 0.19 1.03 0.00 0.00 0.00 175.76 174.70 1hwk s ARG 630 N 5.94 1.13 -0.15 0.00 3.00 -1.26 -4.29 118.95 123.32 1hwk s ARG 630 Ca 0.65 -1.73 -0.35 0.00 0.00 0.00 0.00 55.73 54.30 1hwk s ARG 630 Cb -0.15 -2.27 -0.12 0.00 0.00 0.00 0.00 34.95 32.41 1hwk s ARG 630 CO 0.27 -1.10 1.88 -0.11 0.00 0.00 0.00 175.30 176.24 1hwk n LEU 631 N 3.96 3.18 -0.07 2.53 7.94 -1.26 -3.86 117.00 129.42 1hwk n LEU 631 Ca 0.05 0.94 -0.18 0.00 -1.11 0.00 0.00 56.01 55.72 1hwk n LEU 631 Cb 0.37 -1.32 -0.13 0.00 0.53 0.00 0.00 43.42 42.87 1hwk n LEU 631 CO 0.20 -0.17 -0.09 1.56 -1.11 0.00 0.00 177.39 177.79 1hwk h GLN 632 N 9.16 0.05 -2.44 1.96 4.20 -1.22 -3.49 115.11 123.33 1hwk h GLN 632 Ca -0.47 -0.08 0.16 0.00 0.06 0.00 0.00 58.65 58.32 1hwk h GLN 632 Cb 1.28 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.03 1hwk h GLN 632 CO 0.96 1.04 0.49 -1.59 -0.67 0.00 0.00 178.83 179.05 1hwk s LYS 633 N -2.32 1.30 -0.07 1.46 -2.85 -1.24 -5.06 119.74 110.96 1hwk s LYS 633 Ca -0.23 -0.76 0.01 0.00 -1.00 0.00 0.00 55.97 53.99 1hwk s LYS 633 Cb 0.02 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1hwk s LYS 633 CO 0.67 -0.60 -0.08 -0.51 0.10 0.00 0.00 175.35 174.92 1hwk s LEU 634 N -3.06 1.40 -0.24 2.77 1.02 -1.26 -3.13 118.68 116.18 1hwk s LEU 634 Ca 0.15 -0.24 -0.03 0.00 0.02 0.00 0.00 54.13 54.03 1hwk s LEU 634 Cb -0.02 -0.70 0.01 0.00 0.02 0.00 0.00 46.19 45.50 1hwk s LEU 634 CO 0.04 -0.04 -0.05 -2.28 0.02 0.00 0.00 176.35 174.04 1hwk s HIS 635 N 1.02 3.01 -0.10 0.29 5.65 -1.12 -4.99 115.29 119.05 1hwk s HIS 635 Ca -0.08 -1.28 0.02 0.00 0.25 0.00 0.00 55.06 53.96 1hwk s HIS 635 Cb -0.15 -2.09 -0.01 0.00 -1.18 0.00 0.00 32.58 29.15 1hwk s HIS 635 CO -0.00 -0.65 -0.16 0.99 -0.65 0.00 0.00 174.74 174.26 1hwk s THR 636 N 1.40 2.82 -0.02 0.89 2.01 -1.26 -0.69 115.64 120.78 1hwk s THR 636 Ca 0.03 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1hwk s THR 636 Cb -0.16 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.21 1hwk s THR 636 CO -0.04 0.55 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.77 1hwk s SER 637 N 0.11 1.43 -0.06 3.53 0.15 0.00 -4.99 113.70 113.87 1hwk s SER 637 Ca -0.08 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 1hwk s SER 637 Cb -0.15 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1hwk s SER 637 CO 0.05 0.10 0.04 -0.63 1.20 0.00 0.00 173.24 174.00 1hwk s ILE 638 N 0.04 4.55 -0.38 6.45 1.01 -1.26 -0.74 121.20 130.86 1hwk s ILE 638 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1hwk s ILE 638 Cb -0.08 -2.97 0.15 0.00 0.01 0.00 0.00 42.46 39.57 1hwk s ILE 638 CO 0.00 0.53 0.26 0.00 0.00 0.00 0.00 174.94 175.73 1hwk s ALA 639 N -0.99 1.21 0.00 9.38 0.00 -0.89 -5.02 121.76 125.45 1hwk s ALA 639 Ca 0.16 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.99 1hwk s ALA 639 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1hwk s ALA 639 CO 0.06 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.16 1hwk n GLY 640 N 3.61 3.26 0.17 0.00 0.00 -1.26 -1.50 105.19 109.46 1hwk n GLY 640 Ca 0.17 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 13.43 0.86 -3.05 1.61 1.85 -1.26 -4.40 116.66 125.70 1hwk n ARG 641 Ca 0.00 -0.34 -0.33 0.00 -1.00 0.00 0.00 57.85 56.18 1hwk n ARG 641 Cb 0.00 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 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 -2.38 6.86 -0.06 2.89 -0.87 -0.57 -1.56 114.94 119.26 1hwk s ASN 642 Ca 0.31 1.41 -0.01 0.00 -1.57 0.00 0.00 52.86 53.00 1hwk s ASN 642 Cb 0.20 -2.42 0.03 0.00 -0.02 0.00 0.00 41.25 39.04 1hwk s ASN 642 CO 0.45 -0.21 -0.00 -0.22 -2.57 0.00 0.00 177.10 174.55 1hwk s LEU 643 N -2.89 0.72 -0.20 0.60 2.96 0.21 -2.10 118.68 117.97 1hwk s LEU 643 Ca 0.55 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.31 1hwk s LEU 643 Cb -0.11 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 1hwk s LEU 643 CO 0.17 -0.17 0.06 -0.31 -1.32 0.00 0.00 176.35 174.78 1hwk s TYR 644 N 1.75 3.17 -0.20 5.38 1.51 0.08 -0.99 117.35 128.05 1hwk s TYR 644 Ca 0.01 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1hwk s TYR 644 Cb -0.13 -2.13 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1hwk s TYR 644 CO -0.04 -0.04 -0.17 0.42 -1.11 0.00 0.00 175.55 174.61 1hwk s ILE 645 N 0.82 2.03 -0.50 2.71 1.01 -0.92 -0.82 121.20 125.53 1hwk s ILE 645 Ca 0.03 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.42 1hwk s ILE 645 Cb -0.14 -1.92 0.06 0.00 0.01 0.00 0.00 42.46 40.47 1hwk s ILE 645 CO 0.02 0.39 0.60 -0.60 0.00 0.00 0.00 174.94 175.36 1hwk s ARG 646 N 1.27 3.11 -0.06 2.79 3.52 0.13 -2.97 118.95 126.74 1hwk s ARG 646 Ca 0.02 -0.94 -0.23 0.00 -0.13 0.00 0.00 55.73 54.45 1hwk s ARG 646 Cb -0.15 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1hwk s ARG 646 CO -0.11 -1.20 0.67 -0.06 -0.81 0.00 0.00 175.30 173.79 1hwk s PHE 647 N 2.52 3.59 -0.08 5.12 0.40 0.05 -2.81 117.98 126.77 1hwk s PHE 647 Ca 0.14 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.72 1hwk s PHE 647 Cb -0.20 -2.76 0.01 0.00 0.51 0.00 0.00 43.02 40.59 1hwk s PHE 647 CO 0.11 0.14 -0.15 -1.14 0.70 0.00 0.00 175.22 174.88 1hwk s GLN 648 N 0.61 2.10 0.04 0.44 0.74 -1.18 -2.05 119.66 120.36 1hwk s GLN 648 Ca 0.36 -0.55 -0.18 0.00 0.05 0.00 0.00 55.36 55.04 1hwk s GLN 648 Cb -0.18 -1.69 0.04 0.00 1.10 0.00 0.00 33.01 32.28 1hwk s GLN 648 CO 0.18 0.05 0.41 0.45 -0.55 0.00 0.00 175.29 175.83 1hwk s SER 649 N 0.64 -0.28 0.84 6.67 0.15 -0.57 -0.57 113.70 120.58 1hwk s SER 649 Ca -0.14 0.00 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 1hwk s SER 649 Cb -0.16 0.42 0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1hwk s SER 649 CO 0.04 -0.66 1.11 -0.13 1.20 0.00 0.00 173.24 174.80 1hwk s ARG 650 N -2.46 1.76 -0.20 5.44 1.81 -1.25 -1.39 118.95 122.65 1hwk s ARG 650 Ca -0.05 0.51 0.14 0.00 -1.72 0.00 0.00 55.73 54.60 1hwk s ARG 650 Cb -0.01 -1.89 0.35 0.00 -0.45 0.00 0.00 34.95 32.95 1hwk s ARG 650 CO -0.02 -1.82 1.27 -1.13 -0.68 0.00 0.00 175.30 172.92 1hwk n SER 651 N -3.54 -0.32 0.00 0.23 3.41 -1.26 -4.21 113.62 107.92 1hwk n SER 651 Ca 0.07 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1hwk n SER 651 Cb 0.57 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.72 3.24 0.71 5.00 0.00 -1.26 -1.57 105.19 110.58 1hwk n GLY 652 Ca -0.11 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 2.67 2.15 -4.85 1.61 8.00 -1.26 -3.86 116.55 121.01 1hwk n ASP 653 Ca 0.00 -1.79 -0.33 0.00 0.71 0.00 0.00 54.79 53.38 1hwk n ASP 653 Cb 0.00 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.73 3.41 0.39 2.24 0.00 -0.61 -0.26 121.76 125.20 1hwk s ALA 654 Ca 0.34 -0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.36 1hwk s ALA 654 Cb 0.19 -2.69 0.82 0.00 0.00 0.00 0.00 23.12 21.44 1hwk s ALA 654 CO 0.28 0.38 2.01 1.98 0.00 0.00 0.00 175.76 180.40 1hwk h MET 655 N 2.63 0.61 0.00 0.00 4.05 -1.75 -3.43 114.93 117.04 1hwk h MET 655 Ca -0.48 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1hwk h MET 655 Cb 1.18 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1hwk h MET 655 CO 0.66 0.41 0.00 0.41 0.23 0.00 0.00 176.91 178.62 1hwk n GLY 656 N -1.47 0.66 0.45 1.39 0.00 -1.26 -4.74 105.19 100.22 1hwk n GLY 656 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1hwk n GLY 656 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hwk h MET 657 N 4.35 -0.80 -0.67 1.61 4.05 -1.94 0.72 114.93 122.25 1hwk h MET 657 Ca 0.00 0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1hwk h MET 657 Cb 0.00 0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.93 1hwk h MET 657 CO 0.00 -0.53 0.39 -0.91 0.23 0.00 0.00 176.91 176.09 1hwk h ASN 658 N -0.83 0.61 0.15 1.39 2.35 -1.99 -0.02 115.58 117.24 1hwk h ASN 658 Ca -0.02 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1hwk h ASN 658 Cb 0.77 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1hwk h ASN 658 CO -0.14 0.40 -0.07 -0.03 -1.65 0.00 0.00 177.43 175.94 1hwk h MET 659 N 0.74 -0.19 -0.33 0.81 4.05 -1.94 -1.27 114.93 116.80 1hwk h MET 659 Ca 0.29 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.68 1hwk h MET 659 Cb 0.13 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1hwk h MET 659 CO -0.15 -0.01 0.02 0.82 0.23 0.00 0.00 176.91 177.82 1hwk h ILE 660 N -0.34 1.18 -0.36 1.77 1.08 -0.65 -1.68 117.51 118.51 1hwk h ILE 660 Ca -0.02 -0.70 -0.07 0.00 -0.39 0.00 0.00 64.86 63.68 1hwk h ILE 660 Cb 0.27 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1hwk h ILE 660 CO 0.03 0.24 -0.05 0.28 -0.69 0.00 0.00 178.15 177.96 1hwk h SER 661 N 0.48 0.67 -0.49 1.72 0.02 -0.82 0.51 113.55 115.65 1hwk h SER 661 Ca 0.11 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1hwk h SER 661 Cb 0.28 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1hwk h SER 661 CO 0.01 0.86 0.31 0.50 -1.14 0.00 0.00 176.83 177.36 1hwk h LYS 662 N 0.48 0.65 -0.64 3.45 3.64 -0.93 -1.63 116.57 121.59 1hwk h LYS 662 Ca 0.10 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1hwk h LYS 662 Cb 0.55 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1hwk h LYS 662 CO 0.03 0.46 0.26 0.78 -2.27 0.00 0.00 179.45 178.70 1hwk h GLY 663 N 0.65 1.00 1.15 5.01 0.00 -1.09 -2.71 103.07 107.09 1hwk h GLY 663 Ca 0.18 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1hwk h GLY 663 CO -0.04 0.49 -0.08 -0.84 0.00 0.00 0.00 176.54 176.08 1hwk h THR 664 N 0.92 1.27 -0.61 4.70 2.02 -0.26 -1.96 112.91 118.98 1hwk h THR 664 Ca 0.22 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.12 1hwk h THR 664 Cb 0.18 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1hwk h THR 664 CO -0.02 0.43 0.13 -0.33 0.37 0.00 0.00 175.52 176.11 1hwk h GLU 665 N 0.90 0.99 -0.37 6.66 5.08 -1.09 -0.10 114.58 126.65 1hwk h GLU 665 Ca 0.15 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1hwk h GLU 665 Cb 0.63 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1hwk h GLU 665 CO 0.04 0.91 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.47 1hwk h LYS 666 N 0.90 0.78 -0.40 2.33 3.11 -1.39 -1.99 116.57 119.91 1hwk h LYS 666 Ca 0.19 -0.34 -0.14 0.00 -2.81 0.00 0.00 60.65 57.55 1hwk h LYS 666 Cb 0.38 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1hwk h LYS 666 CO 0.01 0.97 -0.30 0.00 -2.81 0.00 0.00 179.45 177.31 1hwk h ALA 667 N 1.02 0.71 -0.21 5.00 0.00 -1.13 -2.10 119.26 122.54 1hwk h ALA 667 Ca 0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1hwk h ALA 667 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1hwk h ALA 667 CO 0.07 0.66 -0.29 -0.07 0.00 0.00 0.00 179.25 179.62 1hwk h LEU 668 N 0.74 0.43 -0.42 0.00 3.38 -0.81 -0.47 115.31 118.16 1hwk h LEU 668 Ca 0.08 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1hwk h LEU 668 Cb 0.86 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1hwk h LEU 668 CO 0.08 0.71 0.01 0.28 0.09 0.00 0.00 178.44 179.60 1hwk h SER 669 N 0.37 0.72 -0.68 -0.43 0.02 -1.20 0.04 113.55 112.39 1hwk h SER 669 Ca 0.05 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1hwk h SER 669 Cb 0.70 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1hwk h SER 669 CO 0.05 0.85 0.39 0.50 -1.14 0.00 0.00 176.83 177.48 1hwk h LYS 670 N 0.57 0.93 -0.62 3.45 1.63 -1.06 -1.77 116.57 119.71 1hwk h LYS 670 Ca 0.12 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1hwk h LYS 670 Cb 0.47 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1hwk h LYS 670 CO 0.02 0.68 0.23 1.25 -3.45 0.00 0.00 179.45 178.18 1hwk h LEU 671 N 0.92 0.84 -2.16 5.20 5.85 -0.85 -2.19 115.31 122.93 1hwk h LEU 671 Ca 0.24 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1hwk h LEU 671 Cb -0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 1hwk h LEU 671 CO -0.04 0.76 -0.06 -0.74 -0.34 0.00 0.00 178.44 178.02 1hwk h HIS 672 N 0.89 0.00 -0.20 1.25 2.76 -0.11 -1.18 115.15 118.57 1hwk h HIS 672 Ca 0.21 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.25 1hwk h HIS 672 Cb 0.20 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1hwk h HIS 672 CO 0.01 0.06 -0.42 0.93 -1.30 0.00 0.00 177.93 177.21 1hwk h GLU 673 N 0.00 0.47 0.00 5.26 5.08 -0.99 -1.95 114.58 122.44 1hwk h GLU 673 Ca -0.00 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 1hwk h GLU 673 Cb 0.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1hwk h GLU 673 CO 0.01 0.81 -1.01 1.88 -1.00 0.00 0.00 179.01 179.69 1hwk h TYR 674 N 0.38 0.00 -2.49 4.33 -1.99 -1.35 -3.39 116.97 112.46 1hwk h TYR 674 Ca 0.03 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.17 1hwk h TYR 674 Cb 0.90 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.23 1hwk h TYR 674 CO 0.03 0.71 -0.84 1.19 -0.00 0.00 0.00 178.16 179.25 1hwk n PHE 675 N -3.15 0.83 0.24 4.88 3.01 -0.54 -4.98 117.46 117.76 1hwk n PHE 675 Ca -0.04 -3.72 0.18 0.00 1.01 0.00 0.00 57.45 54.87 1hwk n PHE 675 Cb 0.85 -0.18 0.88 0.00 -0.01 0.00 0.00 39.48 41.03 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 5.13 0.00 -0.00 -1.08 0.13 -1.57 -1.51 132.00 133.10 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1hwk h PRO 676 CO 0.53 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.67 1hwk n GLU 677 N -3.60 0.65 -2.38 0.86 1.02 -1.26 -4.84 120.64 111.08 1hwk n GLU 677 Ca 0.01 -0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1hwk n GLU 677 Cb 0.30 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.40 4.40 -0.22 3.49 1.75 -0.57 -4.57 119.30 121.18 1hwk s MET 678 Ca 0.33 1.81 -0.08 0.00 -1.25 0.00 0.00 55.69 56.50 1hwk s MET 678 Cb 0.21 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 1hwk s MET 678 CO 0.44 -0.32 0.10 -1.14 -0.65 0.00 0.00 175.02 173.44 1hwk s GLN 679 N 1.31 3.91 -0.64 4.11 0.74 0.04 -4.95 119.66 124.18 1hwk s GLN 679 Ca 0.59 -0.36 -0.24 0.00 0.05 0.00 0.00 55.36 55.40 1hwk s GLN 679 Cb -0.30 -3.35 0.05 0.00 1.10 0.00 0.00 33.01 30.52 1hwk s GLN 679 CO 0.28 0.07 1.01 0.42 -0.55 0.00 0.00 175.29 176.51 1hwk s ILE 680 N 0.97 4.25 0.06 -2.34 1.01 -1.26 -0.60 121.20 123.29 1hwk s ILE 680 Ca 0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 1hwk s ILE 680 Cb -0.14 -4.67 -0.15 0.00 0.01 0.00 0.00 42.46 37.51 1hwk s ILE 680 CO 0.03 -1.41 1.29 0.25 0.00 0.00 0.00 174.94 175.11 1hwk h LEU 681 N 11.48 0.65 -7.00 2.97 6.46 -1.71 -3.47 115.31 124.70 1hwk h LEU 681 Ca -0.28 -0.59 0.05 0.00 -0.12 0.00 0.00 57.88 56.95 1hwk h LEU 681 Cb 1.07 -0.19 -0.24 0.00 -0.73 0.00 0.00 40.66 40.57 1hwk h LEU 681 CO 1.17 1.13 0.25 0.00 -0.62 0.00 0.00 178.44 180.36 1hwk s ALA 682 N -3.90 -2.01 0.62 1.25 0.00 -1.06 -5.02 121.76 111.65 1hwk s ALA 682 Ca -0.13 2.17 0.35 0.00 0.00 0.00 0.00 51.96 54.36 1hwk s ALA 682 Cb 0.06 -1.48 2.02 0.00 0.00 0.00 0.00 23.12 23.72 1hwk s ALA 682 CO 0.83 -0.33 2.26 -0.24 0.00 0.00 0.00 175.76 178.28 1hwk h VAL 683 N 4.52 0.30 -3.40 0.00 3.04 -1.90 -1.84 116.25 116.97 1hwk h VAL 683 Ca -0.29 0.00 -0.57 0.00 -1.01 0.00 0.00 66.70 64.83 1hwk h VAL 683 Cb 1.20 0.96 -0.38 0.00 -2.01 0.00 0.00 31.29 31.06 1hwk h VAL 683 CO 0.14 0.00 -0.79 -0.55 -1.01 0.00 0.00 177.57 175.36 1hwk s SER 684 N -5.65 3.12 -0.30 3.17 0.15 -1.26 -2.92 113.70 110.01 1hwk s SER 684 Ca -0.05 -0.82 0.11 0.00 0.70 0.00 0.00 55.95 55.89 1hwk s SER 684 Cb 0.14 -0.97 0.70 0.00 -1.71 0.00 0.00 66.02 64.18 1hwk s SER 684 CO 0.48 -0.21 1.73 0.61 1.20 0.00 0.00 173.24 177.05 1hwk n GLY 685 N 4.83 3.85 2.50 9.45 0.00 0.68 -4.72 105.19 121.79 1hwk n GLY 685 Ca -0.12 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.32 -4.90 -1.09 1.61 4.13 -1.25 -4.84 115.26 108.61 1hwk n ASN 686 Ca 0.38 0.29 0.12 0.00 1.68 0.00 0.00 54.58 57.05 1hwk n ASN 686 Cb 1.30 -3.45 0.23 0.00 -1.54 0.00 0.00 39.78 36.32 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 -2.50 0.45 0.48 3.10 9.36 -1.20 -4.62 117.16 122.23 1hwk n TYR 687 Ca -0.12 -0.23 -0.19 0.00 3.32 0.00 0.00 57.90 60.68 1hwk n TYR 687 Cb 0.47 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.09 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 -5.59 3.94 -0.23 0.00 2.01 -1.26 -4.73 115.64 109.77 1hwk s THR 689 Ca -0.18 -0.37 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 1hwk s THR 689 Cb 0.02 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1hwk s THR 689 CO 0.55 0.56 0.11 -0.62 -0.69 0.00 0.00 174.62 174.52 1hwk s ASP 690 N -0.36 5.68 -1.95 3.53 2.15 -1.26 -4.60 116.67 119.84 1hwk s ASP 690 Ca 0.06 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1hwk s ASP 690 Cb -0.12 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 1hwk s ASP 690 CO 0.02 0.06 0.00 0.29 -0.17 0.00 0.00 175.17 175.37 1hwk n LYS 691 N 4.33 -1.33 -4.06 4.34 5.02 -1.26 -4.99 118.16 120.20 1hwk n LYS 691 Ca -0.16 1.13 -0.13 0.00 -2.02 0.00 0.00 58.31 57.14 1hwk n LYS 691 Cb 0.52 -5.46 -0.13 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.75 0.40 0.29 1.97 3.01 -1.26 -4.93 119.74 115.47 1hwk s LYS 692 Ca 0.00 -0.46 -0.30 0.00 -1.01 0.00 0.00 55.97 54.20 1hwk s LYS 692 Cb 0.00 -0.24 -0.11 0.00 -1.01 0.00 0.00 37.83 36.47 1hwk s LYS 692 CO 0.00 0.05 1.53 -1.25 0.51 0.00 0.00 175.35 176.19 1hwk s PRO 693 N -0.89 4.17 -0.25 -1.68 0.04 -1.26 -4.75 135.00 130.37 1hwk s PRO 693 Ca -0.06 2.49 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 1hwk s PRO 693 Cb -0.06 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.51 1hwk s PRO 693 CO -0.00 -0.55 0.62 0.00 0.04 0.00 0.00 177.00 177.11 1hwk s ALA 694 N -0.17 -1.62 0.53 8.56 0.00 -1.26 -5.02 121.76 122.78 1hwk s ALA 694 Ca 0.61 2.05 0.24 0.00 0.00 0.00 0.00 51.96 54.85 1hwk s ALA 694 Cb -0.46 -1.21 1.53 0.00 0.00 0.00 0.00 23.12 22.98 1hwk s ALA 694 CO 0.49 -0.33 2.17 0.00 0.00 0.00 0.00 175.76 178.09 1hwk h ALA 695 N 6.40 1.64 -0.47 0.00 0.00 -1.94 -2.44 119.26 122.45 1hwk h ALA 695 Ca -0.31 -0.03 -0.04 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 0.17 0.05 0.11 0.97 0.00 0.00 0.00 179.25 180.55 1hwk h ILE 696 N 0.00 1.20 -0.17 0.00 2.10 -1.98 -0.33 117.51 118.34 1hwk h ILE 696 Ca -0.00 -0.73 -0.15 0.00 1.08 0.00 0.00 64.86 65.06 1hwk h ILE 696 Cb 0.08 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 36.53 1hwk h ILE 696 CO 0.00 0.27 -0.54 0.78 -1.08 0.00 0.00 178.15 177.59 1hwk h ASN 697 N 0.69 0.55 -0.35 2.19 2.35 -1.72 -0.68 115.58 118.60 1hwk h ASN 697 Ca 0.16 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 1hwk h ASN 697 Cb 0.26 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1hwk h ASN 697 CO -0.00 0.98 -0.11 -0.25 -1.65 0.00 0.00 177.43 176.40 1hwk h TRP 698 N 0.38 0.78 0.15 1.19 2.91 -1.42 -0.17 115.95 119.77 1hwk h TRP 698 Ca 0.01 -0.18 -0.32 0.00 1.13 0.00 0.00 58.89 59.54 1hwk h TRP 698 Cb 1.06 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1hwk h TRP 698 CO 0.04 0.86 -1.55 0.82 -1.03 0.00 0.00 178.44 177.58 1hwk h ILE 699 N 0.48 1.15 -0.00 2.65 2.04 -1.07 -3.39 117.51 119.37 1hwk h ILE 699 Ca 0.09 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1hwk h ILE 699 Cb 0.62 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1hwk h ILE 699 CO 0.04 0.83 -0.63 -0.62 0.00 0.00 0.00 178.15 177.77 1hwk n GLU 700 N -3.52 2.22 0.00 2.37 1.02 -0.27 -5.10 120.64 117.37 1hwk n GLU 700 Ca -0.17 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1hwk n GLU 700 Cb 1.06 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 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 1.31 -2.37 3.61 0.62 0.00 -0.08 -5.02 105.19 103.26 1hwk n GLY 701 Ca 0.03 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.78 0.66 7.24 1.61 3.52 -1.08 -4.70 118.95 123.42 1hwk s ARG 702 Ca 0.00 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 1hwk s ARG 702 Cb 0.00 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1hwk s ARG 702 CO 0.00 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1hwk n GLY 703 N 4.50 1.96 3.53 8.12 0.00 0.54 -3.31 105.19 120.53 1hwk n GLY 703 Ca -0.19 -0.43 -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 3.79 -0.19 1.61 1.02 0.28 -0.13 119.74 126.12 1hwk s LYS 704 Ca 0.00 -0.43 -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 0.04 0.31 -1.12 -0.92 0.00 0.00 175.35 173.66 1hwk s SER 705 N 0.98 6.37 0.05 2.83 0.01 -0.23 -1.18 113.70 122.53 1hwk s SER 705 Ca 0.04 0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.75 1hwk s SER 705 Cb -0.14 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1hwk s SER 705 CO 0.03 0.02 -0.08 -0.69 0.41 0.00 0.00 173.24 172.93 1hwk s VAL 706 N 0.93 0.57 0.00 3.43 1.01 0.74 -0.16 120.40 126.92 1hwk s VAL 706 Ca 0.16 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1hwk s VAL 706 Cb -0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1hwk s VAL 706 CO 0.06 -0.43 -0.06 0.54 0.00 0.00 0.00 175.10 175.20 1hwk s VAL 707 N -1.62 0.47 0.07 2.92 0.11 -0.73 -0.42 120.40 121.20 1hwk s VAL 707 Ca -0.08 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1hwk s VAL 707 Cb -0.08 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1hwk s VAL 707 CO -0.00 0.07 -0.06 0.00 -3.33 0.00 0.00 175.10 171.78 1hwk s GLU 709 N -3.00 1.19 -0.00 0.00 -1.05 -0.12 -1.65 118.70 114.07 1hwk s GLU 709 Ca 0.02 -0.77 -0.28 0.00 -0.15 0.00 0.00 54.97 53.79 1hwk s GLU 709 Cb 0.00 0.49 0.10 0.00 -0.44 0.00 0.00 34.13 34.28 1hwk s GLU 709 CO -0.04 -0.49 0.86 0.00 0.95 0.00 0.00 175.26 176.54 1hwk s ALA 710 N -3.83 -1.81 -0.13 -0.84 0.00 -0.56 -1.43 121.76 113.15 1hwk s ALA 710 Ca 0.06 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1hwk s ALA 710 Cb 0.01 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1hwk s ALA 710 CO -0.08 -0.64 -0.19 0.08 0.00 0.00 0.00 175.76 174.92 1hwk s VAL 711 N -2.90 1.86 -0.28 0.00 1.01 -1.26 -1.28 120.40 117.55 1hwk s VAL 711 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1hwk s VAL 711 Cb -0.01 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1hwk s VAL 711 CO -0.08 0.51 0.11 -0.63 0.00 0.00 0.00 175.10 175.01 1hwk s ILE 712 N 0.93 4.40 0.34 2.22 -1.09 0.78 -4.63 121.20 124.16 1hwk s ILE 712 Ca -0.06 -0.34 -0.28 0.00 -2.23 0.00 0.00 60.65 57.74 1hwk s ILE 712 Cb -0.15 -3.17 -0.12 0.00 -1.58 0.00 0.00 42.46 37.44 1hwk s ILE 712 CO -0.03 0.19 1.34 -2.65 -1.23 0.00 0.00 174.94 172.56 1hwk n PRO 713 N 4.94 2.24 -0.32 2.79 -0.02 -1.26 -0.68 135.00 142.69 1hwk n PRO 713 Ca -0.15 0.79 0.18 0.00 -2.02 0.00 0.00 63.50 62.30 1hwk n PRO 713 Cb 0.50 -2.41 0.38 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.78 1.67 -0.78 3.55 0.00 -1.93 0.72 119.26 125.28 1hwk h ALA 714 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1hwk h ALA 714 Cb 1.27 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1hwk h ALA 714 CO 0.64 -0.42 0.50 -0.22 0.00 0.00 0.00 179.25 179.75 1hwk h LYS 715 N 0.39 1.03 -0.38 0.00 3.64 -1.90 -0.45 116.57 118.89 1hwk h LYS 715 Ca 0.64 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.82 1hwk h LYS 715 Cb 1.32 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1hwk h LYS 715 CO -0.56 0.70 -0.26 0.28 -2.27 0.00 0.00 179.45 177.33 1hwk h VAL 716 N 1.05 1.27 -0.56 2.00 2.07 -1.24 0.98 116.25 121.83 1hwk h VAL 716 Ca 0.28 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1hwk h VAL 716 Cb -0.10 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1hwk h VAL 716 CO -0.06 0.46 0.09 0.58 0.02 0.00 0.00 177.57 178.67 1hwk h VAL 717 N 0.68 1.24 0.10 2.57 2.07 -0.87 0.13 116.25 122.17 1hwk h VAL 717 Ca 0.09 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1hwk h VAL 717 Cb 0.79 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1hwk h VAL 717 CO 0.07 0.34 -0.05 0.03 0.02 0.00 0.00 177.57 177.98 1hwk h ARG 718 N 0.85 -0.13 0.18 1.57 3.08 -0.76 -2.13 114.38 117.05 1hwk h ARG 718 Ca 0.18 0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.90 1hwk h ARG 718 Cb 0.37 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1hwk h ARG 718 CO 0.01 0.30 -1.61 0.93 -1.07 0.00 0.00 179.97 178.53 1hwk h GLU 719 N -0.59 0.38 0.08 0.04 5.08 -0.73 -2.82 114.58 116.02 1hwk h GLU 719 Ca -0.01 -0.64 -0.30 0.00 -1.00 0.00 0.00 59.36 57.40 1hwk h GLU 719 Cb 0.48 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1hwk h GLU 719 CO 0.02 1.28 -1.64 0.28 -1.00 0.00 0.00 179.01 177.95 1hwk h VAL 720 N 0.10 0.79 -0.00 3.13 2.07 -0.93 -3.40 116.25 118.01 1hwk h VAL 720 Ca -0.29 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1hwk h VAL 720 Cb 2.09 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1hwk h VAL 720 CO 0.20 0.66 -0.40 0.18 0.02 0.00 0.00 177.57 178.23 1hwk n LEU 721 N -3.89 0.88 -3.52 2.57 4.77 -1.10 -4.98 117.00 111.72 1hwk n LEU 721 Ca -0.31 -0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.21 1hwk n LEU 721 Cb 0.89 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1hwk n LEU 721 CO 0.34 0.18 0.10 0.29 -1.33 0.00 0.00 177.39 176.97 1hwk n LYS 722 N -0.98 -5.75 -0.90 3.23 4.76 -0.84 -4.64 118.16 113.03 1hwk n LYS 722 Ca 0.09 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 1hwk n LYS 722 Cb 0.35 -5.63 0.00 0.00 -1.84 0.00 0.00 35.03 27.91 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 -4.63 0.00 -4.50 -0.18 5.66 -0.98 -4.71 114.28 104.94 1hwk n THR 723 Ca -0.01 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.74 1hwk n THR 723 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 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 -2.85 2.33 0.21 1.09 -4.23 -1.26 -3.17 115.64 107.76 1hwk s THR 724 Ca 0.00 -2.31 -0.09 0.00 -1.18 0.00 0.00 61.69 58.11 1hwk s THR 724 Cb 0.00 -2.45 0.16 0.00 1.34 0.00 0.00 72.50 71.55 1hwk s THR 724 CO 0.00 -0.32 1.80 0.74 -0.54 0.00 0.00 174.62 176.31 1hwk h THR 725 N 2.17 1.25 -0.52 3.99 2.02 -1.92 -2.11 112.91 117.79 1hwk h THR 725 Ca -0.41 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1hwk h THR 725 Cb 1.25 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1hwk h THR 725 CO 0.65 0.30 0.31 -0.08 0.37 0.00 0.00 175.52 177.06 1hwk h GLU 726 N 1.11 0.71 -0.59 6.66 4.81 -1.93 -1.40 114.58 123.95 1hwk h GLU 726 Ca 0.27 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1hwk h GLU 726 Cb 0.12 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1hwk h GLU 726 CO -0.03 0.52 0.08 0.00 -0.73 0.00 0.00 179.01 178.85 1hwk h ALA 727 N 1.15 0.79 -0.24 2.92 0.00 -1.93 -2.11 119.26 119.85 1hwk h ALA 727 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hwk h ALA 727 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1hwk h ALA 727 CO -0.03 0.56 0.15 0.52 0.00 0.00 0.00 179.25 180.45 1hwk h MET 728 N 0.90 0.31 -0.72 0.00 2.86 -1.10 -1.97 114.93 115.21 1hwk h MET 728 Ca 0.18 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1hwk h MET 728 Cb 0.44 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1hwk h MET 728 CO 0.01 0.22 0.41 0.82 1.06 0.00 0.00 176.91 179.43 1hwk h ILE 729 N 0.31 1.21 -0.13 -1.22 2.04 -1.13 -0.14 117.51 118.46 1hwk h ILE 729 Ca 0.09 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1hwk h ILE 729 Cb -0.02 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1hwk h ILE 729 CO -0.02 0.23 -0.33 -0.33 0.00 0.00 0.00 178.15 177.70 1hwk h GLU 730 N 0.98 0.26 -0.10 2.37 4.39 -1.22 -1.54 114.58 119.71 1hwk h GLU 730 Ca 0.25 -0.10 -0.22 0.00 0.34 0.00 0.00 59.36 59.63 1hwk h GLU 730 Cb 0.01 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1hwk h GLU 730 CO -0.04 0.57 -0.79 0.28 -1.16 0.00 0.00 179.01 177.87 1hwk h VAL 731 N 0.23 1.30 -0.24 3.13 2.07 -0.95 -2.66 116.25 119.12 1hwk h VAL 731 Ca 0.03 -2.01 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1hwk h VAL 731 Cb 0.70 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1hwk h VAL 731 CO 0.05 0.63 0.14 -1.13 0.02 0.00 0.00 177.57 177.28 1hwk h ASN 732 N 0.41 0.29 -0.35 0.57 -1.24 -0.77 0.10 115.58 114.59 1hwk h ASN 732 Ca -0.07 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 1hwk h ASN 732 Cb 1.43 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.39 1hwk h ASN 732 CO 0.16 0.26 0.10 0.40 -1.29 0.00 0.00 177.43 177.06 1hwk h ILE 733 N 0.30 1.22 0.00 2.57 2.04 -1.36 -0.49 117.51 121.78 1hwk h ILE 733 Ca 0.09 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1hwk h ILE 733 Cb 0.03 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1hwk h ILE 733 CO -0.02 0.25 -0.24 0.78 0.00 0.00 0.00 178.15 178.92 1hwk h ASN 734 N 0.41 0.00 0.00 1.72 2.35 -1.35 -0.55 115.58 118.17 1hwk h ASN 734 Ca 0.11 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1hwk h ASN 734 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1hwk h ASN 734 CO -0.00 0.04 -0.61 1.17 -1.65 0.00 0.00 177.43 176.37 1hwk n LYS 735 N -2.29 0.32 0.24 0.81 4.81 0.01 -1.93 118.16 120.13 1hwk n LYS 735 Ca 0.05 0.13 0.12 0.00 -0.87 0.00 0.00 58.31 57.74 1hwk n LYS 735 Cb 0.45 -1.05 0.48 0.00 0.02 0.00 0.00 35.03 34.93 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 -0.61 0.00 0.00 3.14 2.35 -1.22 -2.22 115.58 117.02 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 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1hwk h ASN 736 CO 0.00 0.14 -0.14 0.18 -1.65 0.00 0.00 177.43 175.95 1hwk n LEU 737 N -3.25 0.34 -0.08 1.61 4.77 -1.10 -4.21 117.00 115.08 1hwk n LEU 737 Ca 0.01 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1hwk n LEU 737 Cb 0.41 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1hwk n LEU 737 CO 0.32 -0.48 0.84 0.58 -1.33 0.00 0.00 177.39 177.32 1hwk h VAL 738 N -0.14 1.20 -0.04 4.08 2.07 -1.28 -0.88 116.25 121.26 1hwk h VAL 738 Ca 0.00 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1hwk h VAL 738 Cb 0.14 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1hwk h VAL 738 CO 0.00 0.21 0.02 1.23 0.02 0.00 0.00 177.57 179.05 1hwk h GLY 739 N 0.25 0.05 1.45 2.17 0.00 -1.06 0.66 103.07 106.60 1hwk h GLY 739 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1hwk h GLY 739 CO -0.00 0.02 0.37 1.76 0.00 0.00 0.00 176.54 178.69 1hwk h SER 740 N -0.01 0.64 -0.37 0.19 0.02 -1.38 -1.08 113.55 111.56 1hwk h SER 740 Ca 0.01 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1hwk h SER 740 Cb 0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1hwk h SER 740 CO -0.00 0.46 -0.04 0.00 -1.14 0.00 0.00 176.83 176.10 1hwk h ALA 741 N 1.65 0.50 0.00 3.77 0.00 -0.64 -1.73 119.26 122.82 1hwk h ALA 741 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1hwk h ALA 741 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1hwk h ALA 741 CO -0.05 0.32 -0.25 0.52 0.00 0.00 0.00 179.25 179.79 1hwk h MET 742 N 0.49 0.00 -0.00 0.00 2.86 -0.31 -2.33 114.93 115.64 1hwk h MET 742 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1hwk h MET 742 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1hwk h MET 742 CO 0.03 0.25 -0.02 0.00 1.06 0.00 0.00 176.91 178.23 1hwk n ALA 743 N -2.46 2.53 -2.84 6.32 0.00 -0.46 -4.93 120.51 118.66 1hwk n ALA 743 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1hwk n ALA 743 Cb 0.31 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.34 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 1.30 0.16 3.81 0.00 0.00 -0.88 -5.03 105.19 104.56 1hwk n GLY 744 Ca 0.14 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.39 7.11 -0.26 1.61 0.15 -0.68 -5.06 113.70 113.18 1hwk s SER 745 Ca 0.14 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.21 1hwk s SER 745 Cb -0.06 -2.41 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1hwk s SER 745 CO 0.34 0.14 -0.10 -0.63 1.20 0.00 0.00 173.24 174.19 1hwk s ILE 746 N -1.32 2.14 0.00 6.45 -1.09 -1.26 -4.69 121.20 121.42 1hwk s ILE 746 Ca 0.37 -1.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 1hwk s ILE 746 Cb -0.19 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1hwk s ILE 746 CO 0.21 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 1hwk n GLY 747 N 4.44 0.86 2.69 6.18 0.00 -1.26 -4.94 105.19 113.16 1hwk n GLY 747 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.06 5.76 2.51 -0.02 0.00 -1.26 -1.68 105.19 108.43 1hwk n GLY 748 Ca 0.00 -2.59 -0.36 0.00 0.00 0.00 0.00 46.02 43.07 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 -0.54 2.29 -3.97 1.61 4.02 -0.91 -4.82 117.16 114.83 1hwk n TYR 749 Ca 0.48 -2.50 -0.10 0.00 -0.01 0.00 0.00 57.90 55.77 1hwk n TYR 749 Cb 0.44 -1.62 -0.04 0.00 -0.02 0.00 0.00 39.34 38.10 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 0.20 0.07 -0.20 7.72 2.20 -1.23 -0.79 114.94 122.92 1hwk s ASN 750 Ca 0.55 -1.01 -0.21 0.00 -0.94 0.00 0.00 52.86 51.25 1hwk s ASN 750 Cb 0.26 0.65 -0.18 0.00 -2.00 0.00 0.00 41.25 39.98 1hwk s ASN 750 CO -0.15 -1.26 0.18 0.00 -2.94 0.00 0.00 177.10 172.93 1hwk h ALA 751 N 2.17 0.25 -0.04 3.54 0.00 -1.93 -3.46 119.26 119.78 1hwk h ALA 751 Ca -0.26 -1.17 -0.20 0.00 0.00 0.00 0.00 54.91 53.28 1hwk h ALA 751 Cb 1.25 0.73 -0.17 0.00 0.00 0.00 0.00 17.79 19.61 1hwk h ALA 751 CO 0.35 0.70 -0.36 -2.39 0.00 0.00 0.00 179.25 177.55 1hwk n HIS 752 N -4.45 -1.99 -0.24 0.00 1.44 -1.26 -4.95 115.22 103.77 1hwk n HIS 752 Ca -0.30 -1.84 0.14 0.00 -2.01 0.00 0.00 57.72 53.70 1hwk n HIS 752 Cb 0.65 1.46 0.42 0.00 0.12 0.00 0.00 29.99 32.64 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 1.48 1.94 -0.58 1.59 0.00 -1.89 -0.62 119.26 121.18 1hwk h ALA 753 Ca -0.37 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1hwk h ALA 753 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1hwk h ALA 753 CO -0.11 -0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.34 1hwk h ALA 754 N 1.61 1.82 -0.30 0.00 0.00 -1.93 0.04 119.26 120.50 1hwk h ALA 754 Ca 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1hwk h ALA 754 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1hwk h ALA 754 CO -0.19 0.09 0.17 -0.91 0.00 0.00 0.00 179.25 178.41 1hwk h ASN 755 N 0.57 0.37 -0.09 0.00 2.35 -1.51 -0.66 115.58 116.61 1hwk h ASN 755 Ca 0.25 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1hwk h ASN 755 Cb 0.27 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1hwk h ASN 755 CO -0.07 0.35 -0.18 0.40 -1.65 0.00 0.00 177.43 176.28 1hwk h ILE 756 N 0.37 1.39 -0.56 2.81 5.03 -1.44 -2.44 117.51 122.68 1hwk h ILE 756 Ca 0.11 -1.46 0.05 0.00 -0.12 0.00 0.00 64.86 63.44 1hwk h ILE 756 Cb 0.05 2.12 -0.05 0.00 -3.03 0.00 0.00 36.82 35.92 1hwk h ILE 756 CO -0.02 0.42 0.29 0.58 -0.68 0.00 0.00 178.15 178.74 1hwk h VAL 757 N -0.17 0.96 -0.31 1.67 2.07 -1.01 -1.73 116.25 117.73 1hwk h VAL 757 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1hwk h VAL 757 Cb 0.76 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1hwk h VAL 757 CO 0.04 0.10 0.12 0.74 0.02 0.00 0.00 177.57 178.60 1hwk h THR 758 N 0.56 1.18 -0.50 2.57 2.02 -1.13 -0.28 112.91 117.33 1hwk h THR 758 Ca 0.25 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1hwk h THR 758 Cb 0.15 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1hwk h THR 758 CO -0.17 0.19 0.24 0.00 0.37 0.00 0.00 175.52 176.16 1hwk h ALA 759 N 0.97 0.64 -0.34 6.16 0.00 -1.25 -1.52 119.26 123.92 1hwk h ALA 759 Ca 0.10 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1hwk h ALA 759 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hwk h ALA 759 CO -0.01 0.20 -0.46 0.82 0.00 0.00 0.00 179.25 179.81 1hwk h ILE 760 N 0.66 1.27 -0.61 0.00 2.04 -1.22 -0.91 117.51 118.74 1hwk h ILE 760 Ca 0.17 -1.63 0.01 0.00 1.00 0.00 0.00 64.86 64.40 1hwk h ILE 760 Cb 0.11 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1hwk h ILE 760 CO -0.02 0.54 0.40 1.88 0.00 0.00 0.00 178.15 180.95 1hwk h TYR 761 N 0.73 0.77 -0.54 1.37 -1.99 -0.84 -0.37 116.97 116.10 1hwk h TYR 761 Ca 0.04 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.67 1hwk h TYR 761 Cb 1.06 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 1hwk h TYR 761 CO 0.07 0.48 -0.12 0.82 -0.00 0.00 0.00 178.16 179.41 1hwk h ILE 762 N 0.83 1.27 -0.04 -2.88 2.04 -1.30 0.02 117.51 117.44 1hwk h ILE 762 Ca 0.22 -1.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.68 1hwk h ILE 762 Cb -0.10 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1hwk h ILE 762 CO -0.05 0.45 -0.56 0.00 0.00 0.00 0.00 178.15 177.99 1hwk h ALA 763 N 0.92 0.99 -0.58 1.87 0.00 -1.26 -3.22 119.26 117.99 1hwk h ALA 763 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1hwk h ALA 763 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1hwk h ALA 763 CO 0.05 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.00 1hwk n GLY 765 N 0.68 0.16 3.95 0.00 0.00 -1.02 -4.59 105.19 104.37 1hwk n GLY 765 Ca 0.27 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.36 1.83 -0.60 1.61 -1.52 -0.04 -2.92 119.66 113.67 1hwk s GLN 766 Ca 0.00 -0.53 -0.24 0.00 -1.95 0.00 0.00 55.36 52.64 1hwk s GLN 766 Cb 0.00 -2.18 0.05 0.00 -0.22 0.00 0.00 33.01 30.66 1hwk s GLN 766 CO 0.00 -1.45 0.98 0.34 -0.25 0.00 0.00 175.29 174.90 1hwk s ASP 767 N -4.63 6.27 0.59 5.90 -1.08 -1.26 -4.73 116.67 117.73 1hwk s ASP 767 Ca 0.64 -0.55 0.32 0.00 -0.52 0.00 0.00 52.55 52.44 1hwk s ASP 767 Cb -0.08 -2.44 1.85 0.00 -1.46 0.00 0.00 42.92 40.78 1hwk s ASP 767 CO 0.46 -1.34 2.23 0.00 0.52 0.00 0.00 175.17 177.03 1hwk h ALA 768 N 9.45 1.35 0.00 3.66 0.00 -1.95 -1.11 119.26 130.67 1hwk h ALA 768 Ca -0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1hwk h ALA 768 Cb 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1hwk h ALA 768 CO 1.13 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 180.36 1hwk h ALA 769 N 1.97 1.06 0.00 0.00 0.00 -2.01 -1.94 119.26 118.34 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 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 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 -3.24 0.76 0.28 0.00 6.02 -0.42 -2.92 117.38 117.85 1hwk n GLN 770 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1hwk n GLN 770 Cb 0.28 -1.39 0.80 0.00 1.02 0.00 0.00 30.24 30.96 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 0.21 1.08 -1.24 -1.51 -0.50 115.58 113.62 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 -0.35 0.58 -1.29 0.00 0.00 177.43 176.45 1hwk h VAL 772 N 0.00 0.27 0.00 2.57 2.07 -1.78 -2.46 116.25 116.91 1hwk h VAL 772 Ca -0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 1hwk h VAL 772 Cb 0.24 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1hwk h VAL 772 CO 0.01 0.00 -1.76 0.61 0.02 0.00 0.00 177.57 176.45 1hwk n GLY 773 N -1.44 -1.06 0.27 2.17 0.00 -1.16 -4.24 105.19 99.73 1hwk n GLY 773 Ca -0.08 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.42 1.61 0.02 -1.09 -1.95 113.55 112.57 1hwk h SER 774 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1hwk h SER 774 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1hwk h SER 774 CO 0.06 0.01 0.00 -1.20 -1.14 0.00 0.00 176.83 174.56 1hwk n SER 775 N -4.35 0.00 -4.65 3.07 7.64 -0.93 -4.43 113.62 109.96 1hwk n SER 775 Ca -0.03 -0.30 -0.46 0.00 1.01 0.00 0.00 58.87 59.09 1hwk n SER 775 Cb 0.10 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.22 2.50 -3.64 6.43 3.02 -0.73 -4.58 115.26 117.04 1hwk n ASN 776 Ca 0.16 1.14 -0.07 0.00 -0.03 0.00 0.00 54.58 55.77 1hwk n ASN 776 Cb 0.20 -1.38 -0.07 0.00 -0.61 0.00 0.00 39.78 37.92 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 0.31 2.63 -0.24 0.00 2.07 -0.58 -2.15 121.20 123.23 1hwk s ILE 778 Ca 0.03 -0.99 -0.13 0.00 -1.41 0.00 0.00 60.65 58.15 1hwk s ILE 778 Cb -0.05 -2.27 -0.05 0.00 0.13 0.00 0.00 42.46 40.22 1hwk s ILE 778 CO -0.09 0.31 0.25 -0.89 -1.91 0.00 0.00 174.94 172.61 1hwk s THR 779 N 1.31 5.29 0.00 4.00 2.01 0.03 -1.88 115.64 126.41 1hwk s THR 779 Ca 0.01 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.46 1hwk s THR 779 Cb -0.16 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1hwk s THR 779 CO -0.07 0.28 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.15 1hwk s LEU 780 N 1.35 2.08 -0.01 4.42 1.43 0.10 -4.90 118.68 123.15 1hwk s LEU 780 Ca 0.11 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1hwk s LEU 780 Cb -0.14 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 1hwk s LEU 780 CO 0.07 0.27 -0.09 -0.04 0.23 0.00 0.00 176.35 176.80 1hwk s MET 781 N -0.75 0.76 0.10 1.70 -1.94 -1.26 -1.04 119.30 116.86 1hwk s MET 781 Ca 0.09 -0.30 -0.17 0.00 -1.71 0.00 0.00 55.69 53.61 1hwk s MET 781 Cb -0.09 -0.73 0.04 0.00 2.01 0.00 0.00 34.83 36.05 1hwk s MET 781 CO -0.00 0.16 0.40 -1.83 -0.01 0.00 0.00 175.02 173.75 1hwk s GLU 782 N -0.08 1.02 0.23 2.03 -1.05 -0.24 -4.89 118.70 115.71 1hwk s GLU 782 Ca 0.02 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 1hwk s GLU 782 Cb -0.05 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 1hwk s GLU 782 CO -0.00 -0.39 1.38 0.00 0.95 0.00 0.00 175.26 177.21 1hwk s ALA 783 N -3.40 3.59 0.23 -0.84 0.00 -1.26 -0.12 121.76 119.96 1hwk s ALA 783 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1hwk s ALA 783 Cb 0.01 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1hwk s ALA 783 CO -0.09 -0.65 0.12 0.45 0.00 0.00 0.00 175.76 175.59 1hwk s SER 784 N 0.36 0.67 0.00 0.00 0.15 0.13 -4.81 113.70 110.21 1hwk s SER 784 Ca 0.58 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1hwk s SER 784 Cb -0.39 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1hwk s SER 784 CO 0.41 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1hwk n GLY 785 N -0.37 -0.25 0.22 9.45 0.00 -1.26 -1.62 105.19 111.36 1hwk n GLY 785 Ca 0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 0.48 -0.45 1.61 0.11 -2.01 -2.85 132.00 128.89 1hwk h PRO 786 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1hwk h PRO 786 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1hwk h PRO 786 CO 0.00 0.32 0.00 0.25 -0.21 0.00 0.00 178.00 178.36 1hwk n THR 787 N -4.91 1.58 -3.21 -1.15 -2.24 -1.26 -4.97 114.28 98.12 1hwk n THR 787 Ca 0.06 -1.27 -0.23 0.00 -2.27 0.00 0.00 64.05 60.34 1hwk n THR 787 Cb 0.18 0.20 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.55 -5.58 -0.00 3.42 5.03 -1.08 -4.89 115.26 112.72 1hwk n ASN 788 Ca 0.19 -0.37 0.05 0.00 0.87 0.00 0.00 54.58 55.33 1hwk n ASN 788 Cb 0.70 -4.51 -0.07 0.00 -1.02 0.00 0.00 39.78 34.89 1hwk n ASN 788 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1hwk n GLU 789 N -4.12 2.75 -3.22 3.52 0.28 -1.03 -4.49 120.64 114.33 1hwk n GLU 789 Ca -0.07 -0.02 -0.33 0.00 -0.16 0.00 0.00 57.16 56.58 1hwk n GLU 789 Cb 0.59 -1.08 -0.06 0.00 1.43 0.00 0.00 31.44 32.33 1hwk n GLU 789 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1hwk s ASP 790 N -2.29 6.80 -0.37 -1.84 1.01 -0.64 -4.01 116.67 115.32 1hwk s ASP 790 Ca 0.03 1.20 -0.17 0.00 0.71 0.00 0.00 52.55 54.32 1hwk s ASP 790 Cb 0.08 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.68 1hwk s ASP 790 CO 0.47 -0.10 0.44 -0.22 0.21 0.00 0.00 175.17 175.96 1hwk s LEU 791 N -2.66 4.54 -0.05 1.23 2.96 0.14 0.21 118.68 125.06 1hwk s LEU 791 Ca 0.49 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.89 1hwk s LEU 791 Cb -0.12 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 1hwk s LEU 791 CO 0.19 -0.47 0.54 -0.47 -1.32 0.00 0.00 176.35 174.82 1hwk s TYR 792 N 2.19 3.62 0.00 5.38 5.04 0.83 -0.15 117.35 134.26 1hwk s TYR 792 Ca 0.14 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.86 1hwk s TYR 792 Cb -0.16 -2.57 -0.00 0.00 0.35 0.00 0.00 41.96 39.58 1hwk s TYR 792 CO 0.13 0.31 -0.03 -1.50 -1.34 0.00 0.00 175.55 173.11 1hwk s ILE 793 N 0.05 0.25 0.01 3.14 2.07 -0.40 -1.08 121.20 125.23 1hwk s ILE 793 Ca 0.29 -0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 59.31 1hwk s ILE 793 Cb -0.17 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 1hwk s ILE 793 CO 0.14 0.03 0.02 -0.94 -1.91 0.00 0.00 174.94 172.28 1hwk s SER 794 N -0.19 0.12 -0.08 4.50 1.04 -0.21 -1.50 113.70 117.37 1hwk s SER 794 Ca 0.00 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1hwk s SER 794 Cb -0.02 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1hwk s SER 794 CO -0.00 -0.22 -0.14 0.00 0.98 0.00 0.00 173.24 173.87 1hwk s THR 796 N 0.81 2.21 -0.32 0.00 2.01 -0.79 -1.27 115.64 118.30 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 -1.92 0.10 0.00 0.01 0.00 0.00 72.50 70.53 1hwk s THR 796 CO 0.02 0.53 0.07 -0.04 -0.69 0.00 0.00 174.62 174.50 1hwk s MET 797 N 1.18 1.11 0.00 4.92 -1.94 0.44 -1.53 119.30 123.48 1hwk s MET 797 Ca 0.02 -1.42 0.27 0.00 -1.71 0.00 0.00 55.69 52.85 1hwk s MET 797 Cb -0.14 -2.57 1.27 0.00 2.01 0.00 0.00 34.83 35.40 1hwk s MET 797 CO -0.09 -0.94 1.89 -0.35 -0.01 0.00 0.00 175.02 175.52 1hwk n PRO 798 N 4.57 0.24 -3.02 2.03 -0.04 -1.26 -0.19 135.00 137.34 1hwk n PRO 798 Ca -0.00 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1hwk n PRO 798 Cb 0.42 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.37 -0.18 -4.58 3.54 3.41 -1.24 -2.64 113.62 110.57 1hwk n SER 799 Ca 0.10 -3.20 -0.43 0.00 -0.26 0.00 0.00 58.87 55.08 1hwk n SER 799 Cb 0.25 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.57 4.34 -0.43 -1.33 1.01 -0.33 -3.38 121.20 119.51 1hwk s ILE 800 Ca 0.34 0.95 -0.19 0.00 0.00 0.00 0.00 60.65 61.75 1hwk s ILE 800 Cb 0.34 -4.52 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1hwk s ILE 800 CO -0.07 -0.93 0.53 -1.61 0.00 0.00 0.00 174.94 172.86 1hwk s GLU 801 N 4.10 3.17 0.16 2.79 2.02 -1.26 -0.55 118.70 129.12 1hwk s GLU 801 Ca 0.42 -0.60 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 1hwk s GLU 801 Cb -0.09 -3.96 0.02 0.00 0.10 0.00 0.00 34.13 30.20 1hwk s GLU 801 CO 0.29 -0.92 0.42 -1.50 0.02 0.00 0.00 175.26 173.57 1hwk s ILE 802 N 2.43 0.05 0.10 -1.63 2.07 -1.26 -4.88 121.20 118.08 1hwk s ILE 802 Ca 0.17 -0.85 -0.25 0.00 -1.41 0.00 0.00 60.65 58.30 1hwk s ILE 802 Cb -0.16 -1.49 0.08 0.00 0.13 0.00 0.00 42.46 41.03 1hwk s ILE 802 CO 0.16 -0.24 0.71 -0.83 -1.91 0.00 0.00 174.94 172.83 1hwk s GLY 803 N -2.87 -0.56 0.00 1.50 0.00 -1.26 -3.55 107.32 100.58 1hwk s GLY 803 Ca 0.08 0.70 0.01 0.00 0.00 0.00 0.00 44.72 45.51 1hwk s GLY 803 CO -0.06 0.23 0.87 -1.30 0.00 0.00 0.00 173.10 172.84 1hwk n THR 804 N -0.32 0.68 -4.00 0.90 -2.24 0.65 -4.84 114.28 105.11 1hwk n THR 804 Ca -0.14 -0.84 -0.13 0.00 -2.27 0.00 0.00 64.05 60.67 1hwk n THR 804 Cb 0.64 0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.70 0.20 0.00 2.28 1.01 -1.20 -1.57 120.40 120.41 1hwk s VAL 805 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1hwk s VAL 805 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1hwk s VAL 805 CO 0.01 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1hwk n GLY 806 N 2.69 -0.89 7.00 4.51 0.00 -1.26 -4.34 105.19 112.89 1hwk n GLY 806 Ca -0.15 -1.63 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 -0.75 3.12 0.11 -0.02 0.00 -1.26 -1.82 105.19 104.57 1hwk n GLY 807 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.10 0.00 -0.02 0.00 -1.22 -2.07 105.19 100.78 1hwk n GLY 808 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.09 0.33 0.78 2.61 -2.24 -0.76 -2.42 114.28 110.49 1hwk n THR 809 Ca 0.01 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1hwk n THR 809 Cb 0.17 -0.70 0.44 0.00 -2.10 0.00 0.00 70.33 68.14 1hwk n THR 809 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hwk n ASN 810 N -1.36 0.49 -4.80 3.42 3.02 -0.88 -4.47 115.26 110.68 1hwk n ASN 810 Ca 0.09 0.43 -0.38 0.00 -0.03 0.00 0.00 54.58 54.70 1hwk n ASN 810 Cb 0.21 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 1hwk n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hwk s LEU 811 N -3.83 4.45 0.13 3.41 1.43 -1.01 -4.97 118.68 118.28 1hwk s LEU 811 Ca 0.11 1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 54.53 1hwk s LEU 811 Cb 0.15 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1hwk s LEU 811 CO 0.60 0.11 1.72 -0.07 0.23 0.00 0.00 176.35 178.94 1hwk h LEU 812 N 3.81 -0.07 -0.74 1.79 3.38 -1.89 -0.90 115.31 120.70 1hwk h LEU 812 Ca -0.48 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.56 1hwk h LEU 812 Cb 1.20 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1hwk h LEU 812 CO 0.65 -0.01 0.48 -0.65 0.09 0.00 0.00 178.44 179.00 1hwk h PRO 813 N 0.08 0.93 -0.02 1.13 0.11 -1.95 -1.10 132.00 131.17 1hwk h PRO 813 Ca 0.11 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 1hwk h PRO 813 Cb 0.13 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1hwk h PRO 813 CO -0.17 0.61 -0.54 -0.56 -0.21 0.00 0.00 178.00 177.13 1hwk h GLN 814 N 0.95 0.05 -0.06 1.05 -0.00 -1.74 -2.43 115.11 112.92 1hwk h GLN 814 Ca 0.28 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.84 1hwk h GLN 814 Cb -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 1hwk h GLN 814 CO -0.09 0.58 -0.23 1.96 -0.00 0.00 0.00 178.83 181.05 1hwk h GLN 815 N 0.04 0.11 -0.40 0.06 4.20 -0.56 -1.61 115.11 116.95 1hwk h GLN 815 Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1hwk h GLN 815 Cb 0.96 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1hwk h GLN 815 CO 0.07 0.34 0.18 0.00 -0.67 0.00 0.00 178.83 178.76 1hwk h ALA 816 N 1.67 0.52 -0.31 3.87 0.00 -0.72 0.23 119.26 124.51 1hwk h ALA 816 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1hwk h ALA 816 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hwk h ALA 816 CO 0.03 0.10 -0.21 0.00 0.00 0.00 0.00 179.25 179.17 1hwk h LEU 818 N 0.53 1.04 -0.98 0.00 3.38 -0.88 -2.89 115.31 115.51 1hwk h LEU 818 Ca 0.08 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1hwk h LEU 818 Cb 0.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1hwk h LEU 818 CO 0.05 1.17 0.26 1.56 0.09 0.00 0.00 178.44 181.57 1hwk h GLN 819 N 0.89 1.00 -0.85 1.13 4.20 -0.27 -1.19 115.11 120.01 1hwk h GLN 819 Ca 0.12 -0.17 0.19 0.00 0.06 0.00 0.00 58.65 58.85 1hwk h GLN 819 Cb 0.74 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 1hwk h GLN 819 CO 0.06 0.82 0.57 1.98 -0.67 0.00 0.00 178.83 181.58 1hwk h MET 820 N 0.98 0.36 -0.01 1.46 4.05 -1.03 0.25 114.93 120.98 1hwk h MET 820 Ca 0.23 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1hwk h MET 820 Cb 0.20 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1hwk h MET 820 CO -0.02 0.24 -0.44 1.28 0.23 0.00 0.00 176.91 178.21 1hwk n LEU 821 N -4.48 1.37 -0.78 3.39 4.77 -0.55 -4.63 117.00 116.09 1hwk n LEU 821 Ca 0.17 -0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 55.63 1hwk n LEU 821 Cb 0.66 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1hwk n LEU 821 CO 0.32 0.26 -0.09 0.61 -1.33 0.00 0.00 177.39 177.17 1hwk n GLY 822 N 1.40 0.17 0.16 -0.72 0.00 0.87 -4.94 105.19 102.13 1hwk n GLY 822 Ca 0.10 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.88 0.92 -2.15 1.61 0.24 -0.88 -5.01 118.33 109.18 1hwk n VAL 823 Ca -0.08 -1.06 -0.41 0.00 -2.04 0.00 0.00 64.34 60.75 1hwk n VAL 823 Cb 0.53 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.29 4.37 2.02 7.34 -0.44 -1.24 -4.76 119.66 125.67 1hwk s GLN 824 Ca 0.12 2.15 0.00 0.00 -2.50 0.00 0.00 55.36 55.13 1hwk s GLN 824 Cb 0.10 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.34 1hwk s GLN 824 CO 0.01 -0.24 0.00 0.41 0.50 0.00 0.00 175.29 175.97 1hwk n GLY 825 N 1.73 -0.80 3.78 2.59 0.00 -0.61 -4.85 105.19 107.03 1hwk n GLY 825 Ca 0.04 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.69 2.92 -0.51 4.61 0.00 -1.26 -4.68 121.76 121.15 1hwk s ALA 826 Ca 0.00 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 1hwk s ALA 826 Cb 0.00 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1hwk s ALA 826 CO 0.00 -0.49 0.56 0.00 0.00 0.00 0.00 175.76 175.83 1hwk h LYS 828 N 8.94 -0.50 0.00 0.00 1.79 -1.99 -2.93 116.57 121.88 1hwk h LYS 828 Ca -0.28 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.17 1hwk h LYS 828 Cb 1.10 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1hwk h LYS 828 CO 0.96 -0.33 -0.22 -0.44 -1.08 0.00 0.00 179.45 178.33 1hwk h ASP 829 N -0.52 0.00 -1.65 0.86 3.32 -2.05 -3.39 116.42 112.98 1hwk h ASP 829 Ca 0.05 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.82 1hwk h ASP 829 Cb 0.59 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.87 1hwk h ASP 829 CO -0.27 0.22 -0.62 0.21 -1.72 0.00 0.00 179.24 177.07 1hwk s ASN 830 N -6.37 0.29 -0.04 6.45 3.84 -1.17 -5.13 114.94 112.81 1hwk s ASN 830 Ca -0.02 -1.44 -0.36 0.00 0.21 0.00 0.00 52.86 51.25 1hwk s ASN 830 Cb 0.13 0.98 -0.14 0.00 -0.55 0.00 0.00 41.25 41.66 1hwk s ASN 830 CO 0.64 -0.22 1.67 -2.65 -2.79 0.00 0.00 177.10 173.75 1hwk n PRO 831 N 4.16 1.71 0.00 0.43 -0.02 -1.11 -1.81 135.00 138.36 1hwk n PRO 831 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1hwk n PRO 831 Cb 0.49 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.75 3.19 0.29 -1.23 0.00 -1.25 -4.78 105.19 105.16 1hwk n GLY 832 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 2.90 0.44 -0.26 1.61 4.57 -1.67 -0.20 114.58 121.97 1hwk h GLU 833 Ca 0.00 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1hwk h GLU 833 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1hwk h GLU 833 CO 0.00 0.37 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.15 1hwk h ASN 834 N 0.44 0.57 -0.66 1.04 2.35 -1.89 -0.91 115.58 116.53 1hwk h ASN 834 Ca 0.11 -0.42 -0.08 0.00 -0.55 0.00 0.00 56.30 55.36 1hwk h ASN 834 Cb 0.10 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1hwk h ASN 834 CO -0.01 0.87 0.08 0.00 -1.65 0.00 0.00 177.43 176.72 1hwk h ALA 835 N 0.72 0.88 -0.63 -0.83 0.00 -1.72 -0.27 119.26 117.41 1hwk h ALA 835 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1hwk h ALA 835 Cb 0.66 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1hwk h ALA 835 CO 0.04 0.67 0.12 0.00 0.00 0.00 0.00 179.25 180.08 1hwk h ARG 836 N 1.03 1.03 -0.67 0.00 3.08 -0.99 -1.69 114.38 116.17 1hwk h ARG 836 Ca 0.20 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1hwk h ARG 836 Cb 0.48 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1hwk h ARG 836 CO 0.02 0.95 0.20 0.37 -1.07 0.00 0.00 179.97 180.44 1hwk h GLN 837 N 0.94 1.04 -0.69 0.04 5.75 -0.78 -1.77 115.11 119.65 1hwk h GLN 837 Ca 0.19 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1hwk h GLN 837 Cb 0.40 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1hwk h GLN 837 CO 0.01 0.91 0.27 1.25 -2.65 0.00 0.00 178.83 178.62 1hwk h LEU 838 N 0.98 0.94 -0.73 -2.39 5.85 -0.76 -1.60 115.31 117.59 1hwk h LEU 838 Ca 0.21 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1hwk h LEU 838 Cb 0.30 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1hwk h LEU 838 CO -0.01 0.84 0.04 0.00 -0.34 0.00 0.00 178.44 178.97 1hwk h ALA 839 N 1.30 0.94 -0.58 1.25 0.00 -0.89 -1.29 119.26 119.99 1hwk h ALA 839 Ca 0.23 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1hwk h ALA 839 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1hwk h ALA 839 CO -0.02 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.04 1hwk h ARG 840 N 0.94 0.91 -0.74 0.00 3.08 -0.99 -1.18 114.38 116.39 1hwk h ARG 840 Ca 0.18 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1hwk h ARG 840 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1hwk h ARG 840 CO 0.02 0.83 0.39 0.82 -1.07 0.00 0.00 179.97 180.96 1hwk h ILE 841 N 0.82 1.23 -0.19 2.04 2.04 -0.92 0.06 117.51 122.59 1hwk h ILE 841 Ca 0.18 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1hwk h ILE 841 Cb 0.31 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1hwk h ILE 841 CO -0.00 0.26 0.07 0.58 0.00 0.00 0.00 178.15 179.05 1hwk h VAL 842 N 1.02 1.17 -0.66 1.67 2.07 -1.02 0.10 116.25 120.61 1hwk h VAL 842 Ca 0.26 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1hwk h VAL 842 Cb 0.06 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1hwk h VAL 842 CO -0.04 0.17 0.31 0.00 0.02 0.00 0.00 177.57 178.03 1hwk h GLY 844 N 1.01 0.95 1.47 0.00 0.00 -0.73 -1.97 103.07 103.81 1hwk h GLY 844 Ca 0.23 -0.91 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 1hwk h GLY 844 CO -0.03 0.82 -0.28 -0.84 0.00 0.00 0.00 176.54 176.21 1hwk h THR 845 N 0.69 1.28 -0.36 4.70 2.02 -0.42 -1.73 112.91 119.09 1hwk h THR 845 Ca 0.08 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 1hwk h THR 845 Cb 0.85 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1hwk h THR 845 CO 0.07 0.44 0.22 0.58 0.37 0.00 0.00 175.52 177.21 1hwk h VAL 846 N 0.52 1.12 -0.85 3.16 2.07 -0.91 0.24 116.25 121.60 1hwk h VAL 846 Ca 0.07 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1hwk h VAL 846 Cb 0.76 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1hwk h VAL 846 CO 0.06 0.12 0.53 -0.03 0.02 0.00 0.00 177.57 178.26 1hwk h MET 847 N 0.47 1.14 -0.74 1.57 -1.53 -1.07 0.20 114.93 114.97 1hwk h MET 847 Ca 0.13 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1hwk h MET 847 Cb -0.00 -0.24 -0.04 0.00 -0.55 0.00 0.00 31.60 30.77 1hwk h MET 847 CO -0.02 0.79 0.48 0.00 0.14 0.00 0.00 176.91 178.30 1hwk h ALA 848 N 1.29 0.94 -0.47 0.39 0.00 -0.80 -0.07 119.26 120.54 1hwk h ALA 848 Ca 0.31 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1hwk h ALA 848 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1hwk h ALA 848 CO -0.06 0.38 -0.14 0.78 0.00 0.00 0.00 179.25 180.21 1hwk h GLY 849 N 1.01 0.95 0.92 0.00 0.00 -0.10 -2.64 103.07 103.21 1hwk h GLY 849 Ca 0.27 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1hwk h GLY 849 CO -0.06 0.70 0.04 0.83 0.00 0.00 0.00 176.54 178.05 1hwk h GLU 850 N 0.78 0.61 -0.16 4.80 4.39 -0.02 -2.26 114.58 122.73 1hwk h GLU 850 Ca 0.12 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1hwk h GLU 850 Cb 0.66 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1hwk h GLU 850 CO 0.05 0.70 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.44 1hwk h LEU 851 N 0.44 -0.28 0.01 1.33 3.38 -0.93 -0.79 115.31 118.47 1hwk h LEU 851 Ca 0.11 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1hwk h LEU 851 Cb 0.39 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1hwk h LEU 851 CO 0.01 -0.11 -0.00 -1.28 0.09 0.00 0.00 178.44 177.14 1hwk h SER 852 N -0.08 -0.01 -0.70 -0.43 0.87 -1.46 -1.58 113.55 110.17 1hwk h SER 852 Ca 0.09 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1hwk h SER 852 Cb 0.21 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1hwk h SER 852 CO -0.20 0.33 0.25 0.25 -0.53 0.00 0.00 176.83 176.93 1hwk h LEU 853 N -0.34 0.98 -1.12 2.23 5.85 -1.42 -1.32 115.31 120.17 1hwk h LEU 853 Ca -0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1hwk h LEU 853 Cb 0.34 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1hwk h LEU 853 CO 0.00 0.91 0.26 0.24 -0.34 0.00 0.00 178.44 179.51 1hwk h MET 854 N 1.00 0.88 -0.48 1.25 2.86 -1.11 -0.62 114.93 118.72 1hwk h MET 854 Ca 0.23 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1hwk h MET 854 Cb 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1hwk h MET 854 CO -0.01 0.71 -0.06 0.00 1.06 0.00 0.00 176.91 178.60 1hwk h ALA 855 N 1.42 0.65 -0.40 6.32 0.00 -0.81 -0.30 119.26 126.14 1hwk h ALA 855 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1hwk h ALA 855 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1hwk h ALA 855 CO -0.02 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.76 1hwk h ALA 856 N 0.90 1.28 -0.14 0.00 0.00 -0.73 0.16 119.26 120.73 1hwk h ALA 856 Ca 0.13 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1hwk h ALA 856 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hwk h ALA 856 CO 0.04 0.49 -0.74 -0.07 0.00 0.00 0.00 179.25 178.97 1hwk h LEU 857 N 0.60 0.79 -0.21 0.00 3.38 -0.83 -2.61 115.31 116.43 1hwk h LEU 857 Ca 0.13 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1hwk h LEU 857 Cb 0.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1hwk h LEU 857 CO 0.01 1.28 -0.03 0.00 0.09 0.00 0.00 178.44 179.79 1hwk h ALA 858 N 0.71 0.28 -0.80 1.53 0.00 -0.55 -3.38 119.26 117.05 1hwk h ALA 858 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1hwk h ALA 858 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1hwk h ALA 858 CO 0.14 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1hwk n ALA 859 N -2.36 -0.18 -2.38 0.00 0.00 0.52 -4.67 120.51 111.44 1hwk n ALA 859 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1hwk n ALA 859 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1hwk n ALA 859 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hwk s GLY 860 N -1.24 1.12 0.00 0.00 0.00 -0.98 -5.09 107.32 101.12 1hwk s GLY 860 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1hwk s GLY 860 CO 0.00 2.73 0.00 1.42 0.00 0.00 0.00 173.10 177.25