#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwk h ASP 464 N 0.00 0.29 -0.47 4.04 5.19 -2.02 -1.71 116.42 121.74 1hwk h ASP 464 Ca 0.00 0.11 0.08 0.00 -0.62 0.00 0.00 57.03 56.60 1hwk h ASP 464 Cb 0.00 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 39.52 1hwk h ASP 464 CO 0.00 0.11 0.06 0.00 -3.12 0.00 0.00 179.24 176.29 1hwk h ALA 465 N 1.55 0.50 -0.01 3.45 0.00 -2.03 -0.32 119.26 122.39 1hwk h ALA 465 Ca 0.42 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.28 1hwk h ALA 465 Cb 0.63 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1hwk h ALA 465 CO -0.40 -0.34 -0.74 1.05 0.00 0.00 0.00 179.25 178.82 1hwk h GLU 466 N 0.18 0.11 -0.55 0.00 4.11 -1.83 -2.18 114.58 114.41 1hwk h GLU 466 Ca 0.24 -0.10 -0.12 0.00 0.07 0.00 0.00 59.36 59.45 1hwk h GLU 466 Cb 0.33 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1hwk h GLU 466 CO -0.34 0.80 -0.10 0.82 0.07 0.00 0.00 179.01 180.25 1hwk h ILE 467 N 0.07 1.27 -0.46 -1.06 2.04 -0.78 -2.00 117.51 116.58 1hwk h ILE 467 Ca -0.02 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1hwk h ILE 467 Cb 1.30 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1hwk h ILE 467 CO 0.11 0.45 0.19 0.40 0.00 0.00 0.00 178.15 179.30 1hwk h ILE 468 N 0.93 1.20 -0.37 -0.67 2.04 -0.97 -2.22 117.51 117.45 1hwk h ILE 468 Ca 0.14 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1hwk h ILE 468 Cb 0.68 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1hwk h ILE 468 CO 0.05 0.23 0.06 -0.61 0.00 0.00 0.00 178.15 177.88 1hwk h GLN 469 N 0.61 0.56 0.12 2.37 5.75 -1.26 -0.52 115.11 122.75 1hwk h GLN 469 Ca 0.16 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1hwk h GLN 469 Cb 0.18 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1hwk h GLN 469 CO -0.01 0.55 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.58 1hwk h LEU 470 N 0.55 -0.14 -1.33 -2.39 4.07 -0.79 -2.17 115.31 113.11 1hwk h LEU 470 Ca 0.12 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 1hwk h LEU 470 Cb 0.26 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1hwk h LEU 470 CO 0.00 -0.07 -0.33 0.58 -1.08 0.00 0.00 178.44 177.54 1hwk h VAL 471 N -0.20 1.16 0.00 1.22 2.07 -1.26 -3.52 116.25 115.72 1hwk h VAL 471 Ca -0.02 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1hwk h VAL 471 Cb 0.16 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1hwk h VAL 471 CO 0.03 0.32 0.00 0.59 0.02 0.00 0.00 177.57 178.53 1hwk n ASN 472 N -4.03 0.00 0.00 0.57 3.02 -0.22 -5.12 115.26 109.49 1hwk n ASN 472 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1hwk n ASN 472 Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1hwk n ASN 472 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hwk n ALA 478 N 0.00 0.00 -1.64 5.41 0.00 -1.26 -4.84 120.51 118.18 1hwk n ALA 478 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1hwk n ALA 478 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1hwk n ALA 478 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1hwk n TYR 479 N 0.35 0.88 -1.03 0.00 0.18 -1.26 -4.64 117.16 111.63 1hwk n TYR 479 Ca 0.00 -1.71 0.05 0.00 1.88 0.00 0.00 57.90 58.12 1hwk n TYR 479 Cb 0.00 -0.36 0.29 0.00 -0.38 0.00 0.00 39.34 38.89 1hwk n TYR 479 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1hwk n LYS 480 N -1.04 3.34 -0.21 -3.48 2.85 -1.26 -4.77 118.16 113.59 1hwk n LYS 480 Ca 0.28 -2.98 0.01 0.00 -1.05 0.00 0.00 58.31 54.57 1hwk n LYS 480 Cb 0.83 -1.99 0.12 0.00 -0.65 0.00 0.00 35.03 33.34 1hwk n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1hwk h LEU 481 N 2.29 0.19 -1.04 -5.58 -0.00 -1.94 0.04 115.31 109.27 1hwk h LEU 481 Ca 0.06 0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.98 1hwk h LEU 481 Cb 1.72 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 42.44 1hwk h LEU 481 CO 0.38 0.10 0.08 -0.33 -0.00 0.00 0.00 178.44 178.67 1hwk h GLU 482 N 0.38 0.77 0.06 1.13 3.07 -1.91 -2.30 114.58 115.79 1hwk h GLU 482 Ca 0.33 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 1hwk h GLU 482 Cb 0.44 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1hwk h GLU 482 CO -0.34 0.72 -0.57 1.79 -1.40 0.00 0.00 179.01 179.21 1hwk h THR 483 N 0.74 1.53 -0.85 1.13 1.35 -1.84 -3.35 112.91 111.62 1hwk h THR 483 Ca 0.16 -2.29 0.06 0.00 -0.55 0.00 0.00 66.41 63.78 1hwk h THR 483 Cb 0.33 2.99 -0.05 0.00 -1.73 0.00 0.00 68.15 69.69 1hwk h THR 483 CO 0.00 0.64 0.55 0.25 -0.25 0.00 0.00 175.52 176.72 1hwk h LEU 484 N -0.39 0.84 0.00 3.87 5.85 -0.97 -3.44 115.31 121.08 1hwk h LEU 484 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1hwk h LEU 484 Cb 1.38 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1hwk h LEU 484 CO 0.11 0.55 0.00 -0.38 -0.34 0.00 0.00 178.44 178.38 1hwk n ILE 485 N -4.48 0.00 0.00 4.05 5.41 -0.87 -5.09 119.36 118.39 1hwk n ILE 485 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1hwk n ILE 485 Cb 0.19 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1hwk n ILE 485 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1hwk n GLU 486 N 0.00 0.00 -1.79 0.38 4.07 -1.26 -4.93 120.64 117.11 1hwk n GLU 486 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1hwk n GLU 486 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 1hwk n GLU 486 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1hwk s THR 487 N 0.00 2.08 0.04 6.31 -1.32 -1.26 -4.95 115.64 116.53 1hwk s THR 487 Ca 0.00 0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.30 1hwk s THR 487 Cb 0.00 -3.04 -0.17 0.00 -1.51 0.00 0.00 72.50 67.77 1hwk s THR 487 CO 0.00 0.01 1.49 0.45 -2.21 0.00 0.00 174.62 174.36 1hwk h HIS 488 N 4.14 -0.07 -0.92 9.09 3.86 -1.97 -2.63 115.15 126.65 1hwk h HIS 488 Ca -0.48 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 58.82 1hwk h HIS 488 Cb 1.23 0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.65 1hwk h HIS 488 CO 0.57 0.17 0.59 1.49 0.86 0.00 0.00 177.93 181.60 1hwk h GLU 489 N -0.31 0.89 -0.37 2.45 4.81 -1.92 -0.85 114.58 119.28 1hwk h GLU 489 Ca -0.01 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1hwk h GLU 489 Cb 0.28 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1hwk h GLU 489 CO 0.01 0.59 -0.27 -0.09 -0.73 0.00 0.00 179.01 178.52 1hwk h ARG 490 N 0.92 0.78 -0.45 1.92 2.43 -1.95 -0.04 114.38 117.99 1hwk h ARG 490 Ca 0.43 -0.34 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1hwk h ARG 490 Cb 0.41 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1hwk h ARG 490 CO -0.19 0.96 0.23 0.78 -1.51 0.00 0.00 179.97 180.24 1hwk h GLY 491 N 0.95 0.63 0.96 2.80 0.00 -0.81 0.14 103.07 107.74 1hwk h GLY 491 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1hwk h GLY 491 CO 0.07 0.11 0.21 -2.08 0.00 0.00 0.00 176.54 174.85 1hwk h VAL 492 N 0.46 1.16 -0.46 4.60 2.07 -0.96 -0.63 116.25 122.50 1hwk h VAL 492 Ca 0.20 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.35 1hwk h VAL 492 Cb 0.09 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1hwk h VAL 492 CO -0.13 0.17 0.14 -1.28 0.02 0.00 0.00 177.57 176.48 1hwk h SER 493 N 0.52 0.10 -0.39 0.57 0.87 -0.18 0.49 113.55 115.53 1hwk h SER 493 Ca 0.14 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1hwk h SER 493 Cb 0.08 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1hwk h SER 493 CO -0.02 0.09 -0.06 0.40 -0.53 0.00 0.00 176.83 176.71 1hwk h ILE 494 N 0.29 1.27 -0.74 2.23 2.04 -0.40 -1.90 117.51 120.31 1hwk h ILE 494 Ca 0.22 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1hwk h ILE 494 Cb 0.25 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1hwk h ILE 494 CO -0.25 0.38 0.46 -0.09 0.00 0.00 0.00 178.15 178.64 1hwk h ARG 495 N 0.54 0.99 0.02 2.37 2.43 -0.62 -1.54 114.38 118.57 1hwk h ARG 495 Ca 0.10 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1hwk h ARG 495 Cb 0.57 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1hwk h ARG 495 CO 0.03 0.68 -0.01 0.00 -1.51 0.00 0.00 179.97 179.16 1hwk h ARG 496 N 1.01 -0.02 -0.53 0.20 3.08 -0.63 -0.59 114.38 116.89 1hwk h ARG 496 Ca 0.27 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1hwk h ARG 496 Cb -0.07 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1hwk h ARG 496 CO -0.05 0.09 0.26 1.96 -1.07 0.00 0.00 179.97 181.16 1hwk h GLN 497 N -0.13 0.49 -0.79 0.04 4.20 -0.85 0.35 115.11 118.42 1hwk h GLN 497 Ca -0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1hwk h GLN 497 Cb 0.12 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1hwk h GLN 497 CO 0.00 0.33 0.39 -0.07 -0.67 0.00 0.00 178.83 178.81 1hwk h LEU 498 N 0.51 1.03 -0.74 1.46 3.38 -1.17 -2.77 115.31 117.00 1hwk h LEU 498 Ca 0.24 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1hwk h LEU 498 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1hwk h LEU 498 CO -0.18 0.87 -0.18 0.25 0.09 0.00 0.00 178.44 179.30 1hwk h LEU 499 N 1.12 0.77 -1.96 1.67 5.85 -0.27 -3.12 115.31 119.38 1hwk h LEU 499 Ca 0.27 -0.26 0.16 0.00 0.84 0.00 0.00 57.88 58.89 1hwk h LEU 499 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1hwk h LEU 499 CO -0.04 0.95 0.40 0.28 -0.34 0.00 0.00 178.44 179.69 1hwk h SER 500 N 0.68 0.04 0.45 1.25 0.02 -0.66 -0.34 113.55 114.99 1hwk h SER 500 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1hwk h SER 500 Cb 0.67 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1hwk h SER 500 CO 0.05 0.02 -0.06 2.29 -1.14 0.00 0.00 176.83 177.99 1hwk n LYS 501 N -4.38 0.56 0.00 3.45 2.85 -1.18 -3.27 118.16 116.19 1hwk n LYS 501 Ca 0.10 -0.11 0.10 0.00 -1.05 0.00 0.00 58.31 57.35 1hwk n LYS 501 Cb 0.61 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.45 1hwk n LYS 501 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1hwk n LYS 502 N -1.13 1.16 -3.36 -1.58 5.02 -0.14 -4.99 118.16 113.14 1hwk n LYS 502 Ca 0.15 -0.61 -0.35 0.00 -2.02 0.00 0.00 58.31 55.48 1hwk n LYS 502 Cb 0.25 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.52 4.33 0.51 -0.35 1.43 -1.20 -4.95 118.68 115.94 1hwk s LEU 503 Ca 0.13 1.06 0.34 0.00 -1.03 0.00 0.00 54.13 54.64 1hwk s LEU 503 Cb 0.16 -3.28 1.73 0.00 0.03 0.00 0.00 46.19 44.82 1hwk s LEU 503 CO 0.60 0.10 2.04 0.77 0.23 0.00 0.00 176.35 180.09 1hwk h SER 504 N 3.51 0.00 -2.60 2.29 4.64 -1.94 -3.25 113.55 116.21 1hwk h SER 504 Ca -0.49 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 1hwk h SER 504 Cb 1.19 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.89 1hwk h SER 504 CO 0.66 0.00 -0.88 -0.70 -0.87 0.00 0.00 176.83 175.04 1hwk s GLU 505 N -3.80 0.80 0.50 4.77 -6.30 -1.26 -5.04 118.70 108.38 1hwk s GLU 505 Ca -0.02 -1.74 0.40 0.00 -2.50 0.00 0.00 54.97 51.11 1hwk s GLU 505 Cb 0.10 -1.49 1.58 0.00 0.00 0.00 0.00 34.13 34.32 1hwk s GLU 505 CO 0.39 -1.27 1.62 -1.35 0.02 0.00 0.00 175.26 174.67 1hwk h PRO 506 N 6.43 0.04 -0.49 4.30 0.11 -1.70 -0.24 132.00 140.44 1hwk h PRO 506 Ca 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1hwk h PRO 506 Cb 0.94 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1hwk h PRO 506 CO 0.33 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.02 1hwk n SER 507 N -4.31 2.73 0.24 -2.05 3.41 -1.26 -4.47 113.62 107.91 1hwk n SER 507 Ca 0.39 -1.98 0.17 0.00 -0.26 0.00 0.00 58.87 57.18 1hwk n SER 507 Cb 1.66 -0.33 0.87 0.00 -0.26 0.00 0.00 64.21 66.15 1hwk n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1hwk h SER 508 N 3.03 0.00 0.88 4.04 4.64 -1.42 -1.62 113.55 123.09 1hwk h SER 508 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hwk h SER 508 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1hwk h SER 508 CO 0.00 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 176.10 1hwk n LEU 509 N -3.78 0.05 -0.35 5.97 4.77 -1.26 -4.34 117.00 118.06 1hwk n LEU 509 Ca -0.00 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 1hwk n LEU 509 Cb 0.24 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1hwk n LEU 509 CO 0.27 0.01 0.64 1.67 -1.33 0.00 0.00 177.39 178.65 1hwk n GLN 510 N -1.45 -0.09 -0.23 3.23 7.27 -0.61 -0.53 117.38 124.98 1hwk n GLN 510 Ca 0.08 1.50 0.09 0.00 0.07 0.00 0.00 57.00 58.74 1hwk n GLN 510 Cb 0.32 -2.24 0.25 0.00 2.41 0.00 0.00 30.24 30.98 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 -5.56 0.60 -2.94 3.69 4.02 -1.26 -4.80 117.16 110.90 1hwk n TYR 511 Ca 0.15 -0.30 -0.43 0.00 -0.01 0.00 0.00 57.90 57.31 1hwk n TYR 511 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.75 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 4.26 0.76 7.72 2.96 0.31 -5.03 118.68 128.52 1hwk s LEU 512 Ca 0.35 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 1hwk s LEU 512 Cb 0.18 -2.92 0.06 0.00 0.50 0.00 0.00 46.19 44.01 1hwk s LEU 512 CO 0.25 -0.98 1.18 -2.84 -1.32 0.00 0.00 176.35 172.64 1hwk s PRO 513 N 3.40 1.98 0.00 0.98 0.02 -1.26 -4.87 135.00 135.25 1hwk s PRO 513 Ca 0.29 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1hwk s PRO 513 Cb -0.12 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1hwk s PRO 513 CO 0.22 -1.93 0.00 2.48 -0.33 0.00 0.00 177.00 177.43 1hwk n TYR 514 N -3.04 0.00 -2.73 6.54 0.18 -1.26 -1.53 117.16 115.31 1hwk n TYR 514 Ca 0.13 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.58 1hwk n TYR 514 Cb 0.51 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.42 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 0.00 4.06 -0.98 -3.48 0.52 -1.26 -4.42 118.95 113.39 1hwk s ARG 515 Ca 0.00 0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 56.04 1hwk s ARG 515 Cb 0.00 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 1hwk s ARG 515 CO 0.00 -0.08 0.76 -0.25 0.02 0.00 0.00 175.30 175.75 1hwk n ASP 516 N -0.97 -6.09 -3.75 0.23 8.00 -1.26 -5.02 116.55 107.68 1hwk n ASP 516 Ca 0.06 -0.73 -0.14 0.00 0.71 0.00 0.00 54.79 54.69 1hwk n ASP 516 Cb 0.54 -3.88 -0.15 0.00 -0.02 0.00 0.00 41.12 37.61 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 -3.26 -0.13 -1.16 1.24 5.04 -1.26 -5.07 117.35 112.74 1hwk s TYR 517 Ca 0.28 0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 55.11 1hwk s TYR 517 Cb -0.08 -0.11 -0.07 0.00 0.35 0.00 0.00 41.96 42.05 1hwk s TYR 517 CO 0.82 -0.15 1.91 1.21 -1.34 0.00 0.00 175.55 178.00 1hwk s ASN 518 N 1.12 5.23 0.00 4.32 3.84 -1.26 -4.71 114.94 123.48 1hwk s ASN 518 Ca -0.09 -1.63 0.23 0.00 0.21 0.00 0.00 52.86 51.58 1hwk s ASN 518 Cb -0.11 -2.59 1.35 0.00 -0.55 0.00 0.00 41.25 39.35 1hwk s ASN 518 CO -0.05 -2.84 1.79 -1.22 -2.79 0.00 0.00 177.10 171.98 1hwk n TYR 519 N 13.70 0.00 -0.09 0.43 4.02 -1.26 -3.68 117.16 130.28 1hwk n TYR 519 Ca 0.44 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 58.24 1hwk n TYR 519 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1hwk n TYR 519 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1hwk h SER 520 N 0.00 0.40 1.59 7.72 0.02 -1.94 -1.02 113.55 120.31 1hwk h SER 520 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1hwk h SER 520 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1hwk h SER 520 CO 0.00 0.40 0.00 -0.07 -1.14 0.00 0.00 176.83 176.02 1hwk h LEU 521 N 0.36 0.00 0.08 5.07 3.38 -1.96 -3.34 115.31 118.89 1hwk h LEU 521 Ca 0.11 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1hwk h LEU 521 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1hwk h LEU 521 CO -0.01 0.00 -1.46 0.58 0.09 0.00 0.00 178.44 177.64 1hwk h VAL 522 N 0.00 0.92 -2.28 1.22 2.07 -1.66 -3.40 116.25 113.12 1hwk h VAL 522 Ca 0.00 -2.31 -0.56 0.00 0.82 0.00 0.00 66.70 64.65 1hwk h VAL 522 Cb 0.79 2.52 0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1hwk h VAL 522 CO 0.00 0.62 1.17 0.80 0.02 0.00 0.00 177.57 180.17 1hwk n MET 523 N -4.01 2.64 -3.29 1.57 0.00 -0.41 -1.53 117.12 112.09 1hwk n MET 523 Ca -0.29 0.97 -0.17 0.00 -0.00 0.00 0.00 57.70 58.21 1hwk n MET 523 Cb 0.85 -2.88 0.06 0.00 0.00 0.00 0.00 33.22 31.25 1hwk n MET 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1hwk n GLY 524 N 4.43 -0.17 0.00 -5.12 0.00 -1.26 -4.78 105.19 98.30 1hwk n GLY 524 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.24 0.00 0.00 4.61 0.00 -1.00 -5.01 120.51 114.86 1hwk n ALA 525 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1hwk n ALA 525 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.82 1.50 -1.51 0.00 8.01 -1.26 -4.07 118.70 119.54 1hwk s GLU 528 Ca -0.01 -1.74 -0.06 0.00 0.01 0.00 0.00 54.97 53.16 1hwk s GLU 528 Cb -0.01 -1.13 0.05 0.00 -4.31 0.00 0.00 34.13 28.74 1hwk s GLU 528 CO -0.00 0.06 0.51 0.09 0.01 0.00 0.00 175.26 175.92 1hwk n ASN 529 N -0.54 -1.22 -4.71 -0.19 3.02 -1.26 -4.86 115.26 105.50 1hwk n ASN 529 Ca -0.06 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 1hwk n ASN 529 Cb 0.63 -2.86 -0.03 0.00 -0.61 0.00 0.00 39.78 36.91 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 -3.78 2.97 0.00 2.41 1.01 -1.26 -4.91 120.40 116.85 1hwk s VAL 530 Ca 0.24 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1hwk s VAL 530 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1hwk s VAL 530 CO 0.91 0.04 0.95 2.30 0.00 0.00 0.00 175.10 179.30 1hwk n ILE 531 N 4.10 0.90 -0.23 2.22 -5.35 -1.26 -4.59 119.36 115.13 1hwk n ILE 531 Ca 0.13 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 1hwk n ILE 531 Cb 0.40 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 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 -0.45 0.51 3.16 3.28 0.00 -1.26 -4.83 105.19 105.60 1hwk n GLY 532 Ca 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.73 0.06 -0.30 1.61 -0.85 -0.58 -4.96 117.35 108.60 1hwk s TYR 533 Ca 0.00 -0.26 -0.07 0.00 -0.52 0.00 0.00 57.07 56.22 1hwk s TYR 533 Cb 0.00 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.31 1hwk s TYR 533 CO 0.00 -0.40 0.08 1.41 -1.52 0.00 0.00 175.55 175.12 1hwk s MET 534 N -2.34 3.01 -0.10 -3.49 -2.45 -1.26 -4.15 119.30 108.52 1hwk s MET 534 Ca -0.07 -0.91 -0.30 0.00 -1.25 0.00 0.00 55.69 53.17 1hwk s MET 534 Cb -0.02 -3.38 -0.02 0.00 1.25 0.00 0.00 34.83 32.66 1hwk s MET 534 CO -0.03 -0.48 1.12 -2.14 1.05 0.00 0.00 175.02 174.54 1hwk s PRO 535 N 1.48 4.36 -0.21 4.11 0.02 -1.26 -5.03 135.00 138.48 1hwk s PRO 535 Ca 0.02 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.54 1hwk s PRO 535 Cb -0.17 -3.57 -0.01 0.00 0.02 0.00 0.00 34.50 30.76 1hwk s PRO 535 CO 0.02 -0.43 -0.05 0.42 -0.33 0.00 0.00 177.00 176.64 1hwk s ILE 536 N 2.32 3.43 0.27 2.83 -1.09 -1.26 -5.08 121.20 122.62 1hwk s ILE 536 Ca 0.52 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.16 1hwk s ILE 536 Cb -0.21 -2.55 -0.13 0.00 -1.58 0.00 0.00 42.46 37.99 1hwk s ILE 536 CO 0.18 0.43 1.36 -2.65 -1.23 0.00 0.00 174.94 173.03 1hwk n PRO 537 N 4.58 2.04 -4.16 2.79 -0.02 -1.26 -4.76 135.00 134.21 1hwk n PRO 537 Ca -0.18 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 1hwk n PRO 537 Cb 0.51 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1hwk n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hwk s VAL 538 N -0.42 2.92 0.39 -1.45 1.01 -1.26 -1.49 120.40 120.10 1hwk s VAL 538 Ca 0.64 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1hwk s VAL 538 Cb -0.62 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1hwk s VAL 538 CO 0.54 0.48 0.15 -0.83 0.00 0.00 0.00 175.10 175.44 1hwk s GLY 539 N 1.18 2.24 -0.04 4.51 0.00 0.29 -4.91 107.32 110.59 1hwk s GLY 539 Ca 0.02 -2.05 0.05 0.00 0.00 0.00 0.00 44.72 42.74 1hwk s GLY 539 CO -0.04 -1.89 -0.19 0.54 0.00 0.00 0.00 173.10 171.52 1hwk s VAL 540 N -2.56 1.58 -0.10 1.40 0.11 -1.26 -0.56 120.40 119.01 1hwk s VAL 540 Ca 0.40 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1hwk s VAL 540 Cb 0.02 -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 0.00 175.10 172.22 1hwk s ALA 541 N -0.08 2.06 0.00 1.54 0.00 -0.21 -4.94 121.76 120.14 1hwk s ALA 541 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1hwk s ALA 541 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1hwk s ALA 541 CO 0.02 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1hwk n GLY 542 N 3.60 -2.44 3.78 0.00 0.00 -1.26 -0.86 105.19 108.01 1hwk n GLY 542 Ca -0.20 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.98 4.04 -0.39 1.61 0.04 -1.26 -4.93 135.00 132.12 1hwk s PRO 543 Ca 0.00 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1hwk s PRO 543 Cb 0.00 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1hwk s PRO 543 CO 0.00 -0.28 0.29 -1.17 0.04 0.00 0.00 177.00 175.89 1hwk s LEU 544 N -2.74 4.96 -0.65 -3.56 2.96 0.91 -4.65 118.68 115.92 1hwk s LEU 544 Ca 0.59 -0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 53.49 1hwk s LEU 544 Cb -0.25 -2.17 0.05 0.00 0.50 0.00 0.00 46.19 44.33 1hwk s LEU 544 CO 0.31 -0.41 1.05 0.00 -1.32 0.00 0.00 176.35 175.98 1hwk s LEU 546 N 4.51 1.26 -1.47 0.00 2.96 -0.60 -0.44 118.68 124.90 1hwk s LEU 546 Ca 0.29 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1hwk s LEU 546 Cb -0.13 -0.66 0.05 0.00 0.50 0.00 0.00 46.19 45.95 1hwk s LEU 546 CO 0.15 -0.07 0.68 0.47 -1.32 0.00 0.00 176.35 176.26 1hwk n ASP 547 N 4.40 -2.12 -1.03 3.68 8.00 0.85 -1.78 116.55 128.56 1hwk n ASP 547 Ca -0.18 -0.91 -0.13 0.00 0.71 0.00 0.00 54.79 54.27 1hwk n ASP 547 Cb 0.51 -3.40 -0.06 0.00 -0.02 0.00 0.00 41.12 38.15 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 -1.10 -4.48 -1.24 1.02 -1.26 -4.99 120.64 104.15 1hwk n GLU 548 Ca -0.15 0.96 -0.23 0.00 -0.02 0.00 0.00 57.16 57.72 1hwk n GLU 548 Cb 0.61 -5.10 -0.11 0.00 -0.02 0.00 0.00 31.44 26.83 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 -3.08 1.69 -0.11 3.49 1.02 -0.73 -5.15 119.74 116.87 1hwk s LYS 549 Ca 0.00 -1.90 0.02 0.00 0.02 0.00 0.00 55.97 54.11 1hwk s LYS 549 Cb 0.00 -1.26 0.01 0.00 -0.52 0.00 0.00 37.83 36.07 1hwk s LYS 549 CO 0.00 -0.01 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.05 1hwk s GLU 550 N -3.74 2.25 0.02 1.68 2.02 -1.26 -1.55 118.70 118.11 1hwk s GLU 550 Ca 0.33 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.82 1hwk s GLU 550 Cb 0.06 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 1hwk s GLU 550 CO 0.14 -0.05 -0.24 -0.06 0.02 0.00 0.00 175.26 175.08 1hwk s PHE 551 N 0.94 2.40 -0.39 1.61 0.40 -0.43 -4.88 117.98 117.64 1hwk s PHE 551 Ca -0.07 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1hwk s PHE 551 Cb -0.15 -1.46 0.07 0.00 0.51 0.00 0.00 43.02 41.99 1hwk s PHE 551 CO -0.01 0.11 0.20 -0.65 0.70 0.00 0.00 175.22 175.57 1hwk s GLN 552 N -1.04 2.52 -0.32 0.44 -1.52 -1.26 -0.06 119.66 118.41 1hwk s GLN 552 Ca 0.12 -1.43 -0.21 0.00 -1.95 0.00 0.00 55.36 51.89 1hwk s GLN 552 Cb -0.10 -3.65 -0.00 0.00 -0.22 0.00 0.00 33.01 29.04 1hwk s GLN 552 CO 0.02 -0.88 0.69 0.08 -0.25 0.00 0.00 175.29 174.94 1hwk s VAL 553 N 1.37 4.87 0.09 1.09 1.01 -0.04 -4.62 120.40 124.17 1hwk s VAL 553 Ca 0.02 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1hwk s VAL 553 Cb -0.22 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1hwk s VAL 553 CO 0.01 -0.24 1.06 -2.16 0.00 0.00 0.00 175.10 173.77 1hwk s PRO 554 N 2.78 4.57 -0.16 2.72 0.04 -1.26 -1.04 135.00 142.64 1hwk s PRO 554 Ca 0.28 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 1hwk s PRO 554 Cb -0.14 -3.37 0.05 0.00 0.04 0.00 0.00 34.50 31.08 1hwk s PRO 554 CO 0.13 -0.01 0.02 -1.64 0.04 0.00 0.00 177.00 175.54 1hwk s MET 555 N 0.44 0.73 -0.44 4.56 -1.94 0.28 -4.39 119.30 118.54 1hwk s MET 555 Ca 0.52 -0.29 -0.21 0.00 -1.71 0.00 0.00 55.69 54.00 1hwk s MET 555 Cb -0.26 -1.80 0.03 0.00 2.01 0.00 0.00 34.83 34.81 1hwk s MET 555 CO 0.30 -0.53 0.64 0.00 -0.01 0.00 0.00 175.02 175.42 1hwk s ALA 556 N 1.86 3.35 0.19 3.03 0.00 -0.29 -0.54 121.76 129.35 1hwk s ALA 556 Ca 0.01 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.57 1hwk s ALA 556 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1hwk s ALA 556 CO -0.07 -1.79 0.46 -0.08 0.00 0.00 0.00 175.76 174.27 1hwk s THR 557 N 2.79 0.04 -0.03 0.00 -1.32 -0.56 -4.28 115.64 112.29 1hwk s THR 557 Ca 0.22 -0.93 0.04 0.00 -1.21 0.00 0.00 61.69 59.81 1hwk s THR 557 Cb -0.14 -1.63 0.06 0.00 -1.51 0.00 0.00 72.50 69.28 1hwk s THR 557 CO 0.19 -0.17 0.98 0.35 -2.21 0.00 0.00 174.62 173.75 1hwk n THR 558 N -0.30 1.04 -3.27 5.08 -2.24 -1.26 -4.09 114.28 109.24 1hwk n THR 558 Ca -0.09 -1.13 -0.41 0.00 -2.27 0.00 0.00 64.05 60.14 1hwk n THR 558 Cb 0.63 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1hwk n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1hwk s GLU 559 N -1.27 3.58 0.39 -0.78 2.12 -1.26 -5.04 118.70 116.44 1hwk s GLU 559 Ca 0.07 -0.24 -0.28 0.00 0.36 0.00 0.00 54.97 54.88 1hwk s GLU 559 Cb 0.06 -3.82 -0.11 0.00 0.26 0.00 0.00 34.13 30.53 1hwk s GLU 559 CO 0.01 -0.64 1.49 0.20 -0.54 0.00 0.00 175.26 175.78 1hwk s GLY 560 N 1.76 2.94 0.00 -1.50 0.00 -1.26 -2.61 107.32 106.65 1hwk s GLY 560 Ca 0.17 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1hwk s GLY 560 CO 0.13 2.27 0.00 0.00 0.00 0.00 0.00 173.10 175.50 1hwk h LEU 562 N 0.00 -0.05 -0.42 0.00 5.85 -1.94 0.14 115.31 118.90 1hwk h LEU 562 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 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 0.13 0.20 0.58 -0.34 0.00 0.00 178.44 179.02 1hwk h VAL 563 N -0.24 1.17 -0.43 1.05 2.07 -1.90 -1.01 116.25 116.97 1hwk h VAL 563 Ca -0.01 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1hwk h VAL 563 Cb 0.21 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1hwk h VAL 563 CO 0.01 0.19 0.28 0.00 0.02 0.00 0.00 177.57 178.07 1hwk h ALA 564 N 1.05 0.54 -0.50 1.67 0.00 -1.90 0.14 119.26 120.26 1hwk h ALA 564 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1hwk h ALA 564 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1hwk h ALA 564 CO -0.02 -0.01 0.14 1.03 0.00 0.00 0.00 179.25 180.39 1hwk h SER 565 N 0.58 0.75 -0.52 0.00 0.87 -0.61 -1.04 113.55 113.58 1hwk h SER 565 Ca 0.16 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1hwk h SER 565 Cb -0.06 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1hwk h SER 565 CO -0.03 0.77 0.11 0.74 -0.53 0.00 0.00 176.83 177.90 1hwk h THR 566 N 0.69 1.24 -0.50 2.23 2.02 -0.82 -2.08 112.91 115.69 1hwk h THR 566 Ca 0.16 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1hwk h THR 566 Cb 0.31 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1hwk h THR 566 CO -0.00 0.33 0.17 -1.13 0.37 0.00 0.00 175.52 175.26 1hwk h ASN 567 N 0.85 0.71 -0.87 4.18 -1.24 -0.38 -0.96 115.58 117.87 1hwk h ASN 567 Ca 0.18 -0.19 0.02 0.00 0.71 0.00 0.00 56.30 57.02 1hwk h ASN 567 Cb 0.34 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.16 1hwk h ASN 567 CO 0.00 0.71 0.57 -0.09 -1.29 0.00 0.00 177.43 177.34 1hwk h ARG 568 N 0.67 1.08 -0.64 6.67 2.43 -0.76 -1.03 114.38 122.81 1hwk h ARG 568 Ca 0.16 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1hwk h ARG 568 Cb 0.24 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1hwk h ARG 568 CO -0.01 0.72 0.21 0.78 -1.51 0.00 0.00 179.97 180.16 1hwk h GLY 569 N 1.12 1.05 0.99 2.80 0.00 -0.81 -2.06 103.07 106.16 1hwk h GLY 569 Ca 0.33 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1hwk h GLY 569 CO -0.09 0.58 0.63 0.00 0.00 0.00 0.00 176.54 177.66 1hwk h ARG 571 N 1.29 0.15 -0.60 0.00 9.65 -0.70 -0.65 114.38 123.51 1hwk h ARG 571 Ca 0.35 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.22 1hwk h ARG 571 Cb -0.13 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 1hwk h ARG 571 CO -0.08 0.10 0.34 0.00 2.80 0.00 0.00 179.97 183.13 1hwk h ALA 572 N 1.06 1.47 -0.25 2.80 0.00 -1.17 -1.76 119.26 121.40 1hwk h ALA 572 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1hwk h ALA 572 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hwk h ALA 572 CO -0.02 0.45 -0.17 0.82 0.00 0.00 0.00 179.25 180.33 1hwk h ILE 573 N 0.83 1.31 -0.61 0.00 2.04 -0.93 -2.68 117.51 117.46 1hwk h ILE 573 Ca 0.22 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1hwk h ILE 573 Cb 0.00 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1hwk h ILE 573 CO -0.04 0.40 0.40 1.23 0.00 0.00 0.00 178.15 180.14 1hwk h GLY 574 N 0.27 0.87 2.00 5.37 0.00 -0.76 -0.86 103.07 109.97 1hwk h GLY 574 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1hwk h GLY 574 CO 0.05 0.33 0.00 1.04 0.00 0.00 0.00 176.54 177.96 1hwk n LEU 575 N -4.64 0.12 -1.07 3.11 4.77 -0.69 -2.26 117.00 116.33 1hwk n LEU 575 Ca 0.05 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1hwk n LEU 575 Cb 0.03 -0.51 0.21 0.00 -2.33 0.00 0.00 43.42 40.82 1hwk n LEU 575 CO 0.36 -0.27 0.70 0.61 -1.33 0.00 0.00 177.39 177.45 1hwk n GLY 576 N 0.18 1.48 0.26 -0.72 0.00 -0.53 -4.87 105.19 101.00 1hwk n GLY 576 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.45 0.93 0.00 -0.02 0.00 -0.96 -4.69 105.19 101.90 1hwk n GLY 577 Ca 0.18 -0.01 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 -2.13 -1.26 3.61 -0.02 0.00 -0.44 -5.00 105.19 99.94 1hwk n GLY 578 Ca 0.00 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.67 3.04 0.05 4.61 0.00 0.41 -4.60 121.76 123.61 1hwk s ALA 579 Ca 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 51.96 50.61 1hwk s ALA 579 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1hwk s ALA 579 CO 0.00 0.47 -0.26 -1.12 0.00 0.00 0.00 175.76 174.85 1hwk s SER 580 N -2.89 3.11 0.05 0.00 0.01 -0.54 -0.10 113.70 113.34 1hwk s SER 580 Ca 0.26 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.88 1hwk s SER 580 Cb -0.09 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 1hwk s SER 580 CO 0.16 0.24 0.06 -0.94 0.41 0.00 0.00 173.24 173.18 1hwk s SER 581 N -1.30 0.29 -0.04 2.44 1.04 -1.26 -0.92 113.70 113.95 1hwk s SER 581 Ca 0.11 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1hwk s SER 581 Cb -0.10 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.27 1hwk s SER 581 CO 0.02 -0.58 0.11 -0.13 0.98 0.00 0.00 173.24 173.64 1hwk s ARG 582 N -3.35 0.14 -0.24 4.02 1.81 -0.26 -5.00 118.95 116.07 1hwk s ARG 582 Ca 0.01 0.15 -0.19 0.00 -1.72 0.00 0.00 55.73 53.98 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 -0.08 -0.02 0.57 0.08 -0.68 0.00 0.00 175.30 175.18 1hwk s VAL 583 N 0.04 5.04 -0.08 3.52 1.01 -1.26 -1.80 120.40 126.86 1hwk s VAL 583 Ca -0.00 1.03 0.14 0.00 0.00 0.00 0.00 61.98 63.15 1hwk s VAL 583 Cb -0.01 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 1hwk s VAL 583 CO 0.00 0.08 0.58 0.18 0.00 0.00 0.00 175.10 175.94 1hwk n LEU 584 N 5.42 0.70 -3.49 3.92 4.77 0.81 -5.00 117.00 124.14 1hwk n LEU 584 Ca -0.03 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1hwk n LEU 584 Cb 0.50 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1hwk n LEU 584 CO 0.42 0.37 0.37 0.00 -1.33 0.00 0.00 177.39 177.22 1hwk s ALA 585 N -2.64 -1.55 -0.19 -1.18 0.00 -1.20 -4.96 121.76 110.05 1hwk s ALA 585 Ca -0.05 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1hwk s ALA 585 Cb 0.08 0.54 0.09 0.00 0.00 0.00 0.00 23.12 23.83 1hwk s ALA 585 CO 0.83 -0.60 0.30 0.34 0.00 0.00 0.00 175.76 176.63 1hwk s ASP 586 N -2.17 0.50 0.00 0.00 -1.08 -1.25 -1.09 116.67 111.57 1hwk s ASP 586 Ca -0.03 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1hwk s ASP 586 Cb -0.01 0.82 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 1hwk s ASP 586 CO -0.04 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 175.98 1hwk n GLY 587 N 5.35 0.40 3.82 2.66 0.00 0.79 -4.51 105.19 113.69 1hwk n GLY 587 Ca -0.06 0.67 -0.32 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 3.52 0.23 1.61 1.75 -0.54 -0.31 119.30 125.56 1hwk s MET 588 Ca 0.00 1.09 0.03 0.00 -1.25 0.00 0.00 55.69 55.56 1hwk s MET 588 Cb 0.00 -2.07 -0.05 0.00 2.84 0.00 0.00 34.83 35.55 1hwk s MET 588 CO 0.00 -0.64 0.01 0.95 -0.65 0.00 0.00 175.02 174.69 1hwk s THR 589 N -2.57 0.98 -0.15 10.11 -4.23 -1.26 -1.58 115.64 116.94 1hwk s THR 589 Ca 0.61 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1hwk s THR 589 Cb -0.14 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.40 1hwk s THR 589 CO 0.37 -0.30 0.35 -0.60 -0.54 0.00 0.00 174.62 173.90 1hwk s ARG 590 N -3.88 0.31 -0.70 3.99 6.06 -0.85 -4.93 118.95 118.95 1hwk s ARG 590 Ca 0.29 0.76 0.05 0.00 -2.50 0.00 0.00 55.73 54.33 1hwk s ARG 590 Cb 0.06 0.00 0.17 0.00 0.06 0.00 0.00 34.95 35.24 1hwk s ARG 590 CO 0.09 -0.19 0.50 0.41 -2.50 0.00 0.00 175.30 173.61 1hwk n GLY 591 N 4.55 4.01 3.73 8.12 0.00 -1.26 -0.88 105.19 123.46 1hwk n GLY 591 Ca -0.20 -2.57 -0.31 0.00 0.00 0.00 0.00 46.02 42.94 1hwk n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hwk s PRO 592 N -1.47 1.68 -0.12 1.61 0.04 -1.14 -0.16 135.00 135.45 1hwk s PRO 592 Ca 0.25 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1hwk s PRO 592 Cb -0.04 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1hwk s PRO 592 CO -0.17 -2.07 -0.22 0.54 0.04 0.00 0.00 177.00 175.13 1hwk s VAL 593 N -2.82 2.17 0.29 -0.36 0.11 -0.68 -2.16 120.40 116.94 1hwk s VAL 593 Ca 0.63 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1hwk s VAL 593 Cb -0.19 -1.86 -0.06 0.00 -1.53 0.00 0.00 36.38 32.75 1hwk s VAL 593 CO 0.57 0.55 -0.14 0.68 -3.33 0.00 0.00 175.10 173.43 1hwk s VAL 594 N 0.60 2.18 0.02 2.04 -7.23 -0.21 -1.94 120.40 115.87 1hwk s VAL 594 Ca -0.12 -2.28 0.04 0.00 -1.81 0.00 0.00 61.98 57.81 1hwk s VAL 594 Cb -0.17 -2.39 -0.02 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 -3.59 0.78 0.33 4.82 0.52 0.12 -0.55 118.95 121.39 1hwk s ARG 595 Ca 0.30 -0.59 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 1hwk s ARG 595 Cb -0.01 -0.74 -0.05 0.00 0.52 0.00 0.00 34.95 34.67 1hwk s ARG 595 CO 0.14 0.19 0.03 -0.51 0.02 0.00 0.00 175.30 175.16 1hwk s LEU 596 N -0.85 3.05 0.29 2.53 2.01 -0.50 -0.82 118.68 124.39 1hwk s LEU 596 Ca 0.00 -0.91 -0.02 0.00 0.01 0.00 0.00 54.13 53.21 1hwk s LEU 596 Cb -0.06 -1.46 0.43 0.00 0.01 0.00 0.00 46.19 45.10 1hwk s LEU 596 CO 0.00 -0.21 1.95 -0.65 1.01 0.00 0.00 176.35 178.45 1hwk h PRO 597 N 1.78 1.11 -4.56 1.29 0.11 -1.87 -3.45 132.00 126.41 1hwk h PRO 597 Ca -0.43 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 1hwk h PRO 597 Cb 1.25 -0.25 -0.16 0.00 0.11 0.00 0.00 31.00 31.95 1hwk h PRO 597 CO 0.65 0.73 -0.70 1.03 -0.21 0.00 0.00 178.00 179.50 1hwk s ARG 598 N -5.95 0.73 0.46 1.05 1.81 -1.26 -4.99 118.95 110.80 1hwk s ARG 598 Ca -0.12 -1.19 0.12 0.00 -1.72 0.00 0.00 55.73 52.82 1hwk s ARG 598 Cb 0.18 -0.15 1.04 0.00 -0.45 0.00 0.00 34.95 35.57 1hwk s ARG 598 CO 0.80 -0.02 2.07 0.00 -0.68 0.00 0.00 175.30 177.46 1hwk h ALA 599 N 3.31 1.80 -0.06 2.13 0.00 -1.87 0.17 119.26 124.74 1hwk h ALA 599 Ca -0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1hwk h ALA 599 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1hwk h ALA 599 CO 0.60 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 179.82 1hwk h ASP 601 N 0.09 0.39 -0.54 0.00 3.32 -1.40 -2.82 116.42 115.46 1hwk h ASP 601 Ca 0.02 -0.83 -0.01 0.00 0.02 0.00 0.00 57.03 56.23 1hwk h ASP 601 Cb 0.40 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1hwk h ASP 601 CO 0.03 1.18 0.31 0.77 -1.72 0.00 0.00 179.24 179.80 1hwk h SER 602 N -0.34 0.69 -0.68 6.45 4.64 -1.19 -1.13 113.55 121.98 1hwk h SER 602 Ca -0.07 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1hwk h SER 602 Cb 1.28 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1hwk h SER 602 CO 0.10 0.55 0.28 0.00 -0.87 0.00 0.00 176.83 176.90 1hwk h ALA 603 N 1.56 1.18 -0.57 5.18 0.00 -1.19 -0.41 119.26 125.01 1hwk h ALA 603 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1hwk h ALA 603 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1hwk h ALA 603 CO -0.03 0.60 0.03 1.49 0.00 0.00 0.00 179.25 181.33 1hwk h GLU 604 N 1.01 0.99 -0.60 0.00 4.81 -1.01 -1.51 114.58 118.27 1hwk h GLU 604 Ca 0.24 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1hwk h GLU 604 Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1hwk h GLU 604 CO -0.02 0.97 0.03 0.28 -0.73 0.00 0.00 179.01 179.54 1hwk h VAL 605 N 0.87 1.26 -0.43 0.32 2.07 -0.60 -0.07 116.25 119.68 1hwk h VAL 605 Ca 0.17 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1hwk h VAL 605 Cb 0.50 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1hwk h VAL 605 CO 0.02 0.40 0.26 0.50 0.02 0.00 0.00 177.57 178.77 1hwk h LYS 606 N 0.95 0.58 -0.65 1.57 3.64 -0.84 0.76 116.57 122.59 1hwk h LYS 606 Ca 0.18 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1hwk h LYS 606 Cb 0.50 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1hwk h LYS 606 CO 0.02 0.43 0.07 0.00 -2.27 0.00 0.00 179.45 177.70 1hwk h ALA 607 N 1.12 0.89 -0.26 5.00 0.00 -1.06 -2.22 119.26 122.73 1hwk h ALA 607 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1hwk h ALA 607 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hwk h ALA 607 CO -0.03 0.67 0.13 2.35 0.00 0.00 0.00 179.25 182.37 1hwk h TRP 608 N 1.01 0.37 0.00 0.00 7.01 -0.51 -2.02 115.95 121.81 1hwk h TRP 608 Ca 0.19 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1hwk h TRP 608 Cb 0.49 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1hwk h TRP 608 CO 0.04 0.34 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.95 1hwk h LEU 609 N 0.29 0.00 0.00 0.65 3.38 -0.65 -2.41 115.31 116.57 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 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1hwk h LEU 609 CO -0.01 0.01 -0.44 -0.62 0.09 0.00 0.00 178.44 177.46 1hwk n GLU 610 N -3.13 0.06 -2.77 1.13 1.02 -0.78 -4.09 120.64 112.08 1hwk n GLU 610 Ca -0.02 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1hwk n GLU 610 Cb 0.16 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.03 4.60 0.37 2.62 -4.23 -0.91 -4.96 115.64 110.10 1hwk s THR 611 Ca 0.10 1.06 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 1hwk s THR 611 Cb 0.17 -3.67 0.22 0.00 1.34 0.00 0.00 72.50 70.55 1hwk s THR 611 CO 0.68 -0.46 1.97 0.77 -0.54 0.00 0.00 174.62 177.04 1hwk h SER 612 N 1.51 0.52 -0.08 3.99 4.64 -1.89 -1.57 113.55 120.67 1hwk h SER 612 Ca -0.48 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 60.71 1hwk h SER 612 Cb 1.18 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1hwk h SER 612 CO 0.63 0.46 -0.30 1.05 -0.87 0.00 0.00 176.83 177.80 1hwk h GLU 613 N 0.57 0.34 -0.71 4.77 9.09 -1.93 -2.23 114.58 124.48 1hwk h GLU 613 Ca 0.14 -0.26 -0.02 0.00 0.05 0.00 0.00 59.36 59.27 1hwk h GLU 613 Cb 0.11 0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.22 1hwk h GLU 613 CO -0.02 0.89 0.35 0.78 0.05 0.00 0.00 179.01 181.07 1hwk h GLY 614 N -0.14 1.07 0.77 1.06 0.00 -1.68 -2.49 103.07 101.67 1hwk h GLY 614 Ca -0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1hwk h GLY 614 CO 0.06 0.48 -0.19 -2.75 0.00 0.00 0.00 176.54 174.15 1hwk h PHE 615 N 1.00 -0.48 -0.98 5.60 3.57 -1.32 -2.68 116.94 121.65 1hwk h PHE 615 Ca 0.25 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.95 1hwk h PHE 615 Cb 0.09 0.16 -0.12 0.00 2.79 0.00 0.00 35.95 38.87 1hwk h PHE 615 CO 0.01 -0.18 0.56 0.00 -2.23 0.00 0.00 178.31 176.47 1hwk h ALA 616 N -0.24 1.67 -0.44 2.41 0.00 -1.26 0.37 119.26 121.77 1hwk h ALA 616 Ca -0.05 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1hwk h ALA 616 Cb 0.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hwk h ALA 616 CO 0.09 -0.21 -0.17 0.28 0.00 0.00 0.00 179.25 179.24 1hwk h VAL 617 N 0.61 1.27 -0.14 0.00 2.07 -1.37 0.98 116.25 119.66 1hwk h VAL 617 Ca 0.60 -1.28 -0.20 0.00 0.82 0.00 0.00 66.70 66.64 1hwk h VAL 617 Cb 1.07 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1hwk h VAL 617 CO -0.45 0.44 -0.68 0.40 0.02 0.00 0.00 177.57 177.30 1hwk h ILE 618 N 0.74 1.31 -0.67 4.57 1.08 -0.70 -2.98 117.51 120.84 1hwk h ILE 618 Ca 0.11 -1.91 -0.01 0.00 -0.39 0.00 0.00 64.86 62.66 1hwk h ILE 618 Cb 0.69 2.04 -0.03 0.00 -3.07 0.00 0.00 36.82 36.44 1hwk h ILE 618 CO 0.05 0.60 0.36 0.50 -0.69 0.00 0.00 178.15 178.97 1hwk h LYS 619 N 0.41 0.93 -0.36 2.37 3.64 -0.10 -0.46 116.57 123.00 1hwk h LYS 619 Ca -0.04 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1hwk h LYS 619 Cb 1.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1hwk h LYS 619 CO 0.14 0.69 0.05 1.49 -2.27 0.00 0.00 179.45 179.56 1hwk h GLU 620 N 0.94 0.60 -0.49 1.90 4.81 -0.81 0.55 114.58 122.08 1hwk h GLU 620 Ca 0.24 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1hwk h GLU 620 Cb 0.04 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1hwk h GLU 620 CO -0.04 0.67 -0.11 0.00 -0.73 0.00 0.00 179.01 178.81 1hwk h ALA 621 N 0.90 0.89 0.12 2.92 0.00 -1.27 -1.73 119.26 121.09 1hwk h ALA 621 Ca 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1hwk h ALA 621 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hwk h ALA 621 CO 0.01 0.64 -0.06 0.35 0.00 0.00 0.00 179.25 180.19 1hwk h PHE 622 N 0.81 -0.15 0.00 0.00 3.57 -0.93 -3.08 116.94 117.16 1hwk h PHE 622 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1hwk h PHE 622 Cb 0.63 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1hwk h PHE 622 CO 0.04 0.16 0.00 -0.44 -2.23 0.00 0.00 178.31 175.84 1hwk h ASP 623 N -0.45 0.00 1.20 0.41 5.19 -0.84 -2.97 116.42 118.96 1hwk h ASP 623 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1hwk h ASP 623 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1hwk h ASP 623 CO 0.03 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.92 1hwk h SER 624 N 0.00 0.00 1.40 6.45 4.64 -1.21 -3.30 113.55 121.53 1hwk h SER 624 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1hwk h SER 624 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1hwk h SER 624 CO 0.00 0.00 -0.51 0.71 -0.87 0.00 0.00 176.83 176.16 1hwk h THR 625 N 0.00 0.90 -3.36 2.95 1.35 -1.62 -3.48 112.91 109.65 1hwk h THR 625 Ca 0.00 -2.19 -0.03 0.00 -0.55 0.00 0.00 66.41 63.63 1hwk h THR 625 Cb 0.60 2.39 -0.11 0.00 -1.73 0.00 0.00 68.15 69.30 1hwk h THR 625 CO 0.00 0.50 -0.01 -0.55 -0.25 0.00 0.00 175.52 175.21 1hwk s SER 626 N -6.46 -0.23 0.37 5.36 0.15 -1.25 -4.97 113.70 106.67 1hwk s SER 626 Ca 0.03 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.28 1hwk s SER 626 Cb 0.08 0.56 0.73 0.00 -1.71 0.00 0.00 66.02 65.68 1hwk s SER 626 CO 0.74 -1.02 1.88 -0.09 1.20 0.00 0.00 173.24 175.95 1hwk h ARG 627 N 2.24 0.22 -0.29 5.44 2.43 -1.92 -3.17 114.38 119.33 1hwk h ARG 627 Ca -0.29 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1hwk h ARG 627 Cb 1.26 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1hwk h ARG 627 CO 0.39 0.41 0.00 1.19 -1.51 0.00 0.00 179.97 180.45 1hwk n PHE 628 N -4.23 0.37 -2.30 2.20 3.01 -1.26 -4.92 117.46 110.34 1hwk n PHE 628 Ca -0.01 -0.33 -0.34 0.00 1.01 0.00 0.00 57.45 57.78 1hwk n PHE 628 Cb 0.31 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.05 2.19 -0.48 4.37 0.00 -1.20 -4.20 121.76 121.39 1hwk s ALA 629 Ca 0.24 -1.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1hwk s ALA 629 Cb 0.14 -4.55 0.13 0.00 0.00 0.00 0.00 23.12 18.84 1hwk s ALA 629 CO 0.18 -4.23 0.30 1.03 0.00 0.00 0.00 175.76 173.05 1hwk s ARG 630 N 5.99 2.28 -0.01 0.00 1.81 -1.26 -4.03 118.95 123.73 1hwk s ARG 630 Ca 0.58 -1.96 -0.30 0.00 -1.72 0.00 0.00 55.73 52.33 1hwk s ARG 630 Cb -0.03 -3.73 -0.06 0.00 -0.45 0.00 0.00 34.95 30.68 1hwk s ARG 630 CO -0.05 -1.13 1.57 -1.17 -0.68 0.00 0.00 175.30 173.84 1hwk s LEU 631 N 0.95 4.32 0.00 2.53 2.96 -1.26 -3.69 118.68 124.49 1hwk s LEU 631 Ca 0.09 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1hwk s LEU 631 Cb -0.23 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1hwk s LEU 631 CO -0.03 -0.86 0.00 0.00 -1.32 0.00 0.00 176.35 174.14 1hwk n GLN 632 N 6.28 3.93 -1.23 1.98 6.02 -0.42 -5.03 117.38 128.91 1hwk n GLN 632 Ca 0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.77 1hwk n GLN 632 Cb 0.42 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.71 1hwk n GLN 632 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1hwk n LYS 633 N 0.00 0.10 -3.92 -1.09 2.85 -1.26 -4.73 118.16 110.11 1hwk n LYS 633 Ca 0.00 0.04 -0.29 0.00 -1.05 0.00 0.00 58.31 57.01 1hwk n LYS 633 Cb 0.00 -1.20 -0.16 0.00 -0.65 0.00 0.00 35.03 33.02 1hwk n LYS 633 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1hwk s LEU 634 N 4.32 2.00 -0.25 -5.58 2.96 -1.26 -3.80 118.68 117.07 1hwk s LEU 634 Ca 0.56 -0.86 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1hwk s LEU 634 Cb -0.41 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1hwk s LEU 634 CO 0.67 -0.20 0.12 -2.28 -1.32 0.00 0.00 176.35 173.34 1hwk s HIS 635 N 1.53 3.16 0.13 5.38 5.65 -1.07 -4.97 115.29 125.10 1hwk s HIS 635 Ca -0.02 -0.14 0.10 0.00 0.25 0.00 0.00 55.06 55.26 1hwk s HIS 635 Cb -0.17 -2.27 -0.04 0.00 -1.18 0.00 0.00 32.58 28.92 1hwk s HIS 635 CO -0.07 -0.20 -0.22 0.95 -0.65 0.00 0.00 174.74 174.55 1hwk s THR 636 N 1.48 2.60 -0.06 0.89 -4.23 -1.26 0.27 115.64 115.33 1hwk s THR 636 Ca 0.06 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 58.89 1hwk s THR 636 Cb -0.15 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1hwk s THR 636 CO 0.06 0.08 0.16 -0.55 -0.54 0.00 0.00 174.62 173.83 1hwk s SER 637 N -2.15 -0.15 -0.04 3.99 0.15 -0.09 -4.99 113.70 110.41 1hwk s SER 637 Ca 0.17 0.32 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 1hwk s SER 637 Cb -0.10 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1hwk s SER 637 CO 0.09 -0.08 0.03 -0.63 1.20 0.00 0.00 173.24 173.84 1hwk s ILE 638 N 0.42 4.46 -0.37 6.45 1.01 -1.26 -0.73 121.20 131.18 1hwk s ILE 638 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1hwk s ILE 638 Cb -0.04 -2.96 0.15 0.00 0.01 0.00 0.00 42.46 39.62 1hwk s ILE 638 CO -0.02 0.48 0.25 0.00 0.00 0.00 0.00 174.94 175.65 1hwk s ALA 639 N -1.03 0.98 0.00 9.38 0.00 -0.87 -5.02 121.76 125.21 1hwk s ALA 639 Ca 0.18 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1hwk s ALA 639 Cb -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1hwk s ALA 639 CO 0.08 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.17 1hwk n GLY 640 N 3.75 3.31 0.28 0.00 0.00 -1.26 -1.37 105.19 109.89 1hwk n GLY 640 Ca 0.17 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1hwk n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hwk n ARG 641 N 13.48 1.29 -3.19 1.61 1.85 -1.26 -4.41 116.66 126.03 1hwk n ARG 641 Ca 0.00 -0.56 -0.33 0.00 -1.00 0.00 0.00 57.85 55.96 1hwk n ARG 641 Cb 0.00 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 29.86 1hwk n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1hwk s ASN 642 N -2.09 6.80 -0.06 2.89 -0.87 -0.47 -1.41 114.94 119.71 1hwk s ASN 642 Ca 0.39 1.23 -0.01 0.00 -1.57 0.00 0.00 52.86 52.90 1hwk s ASN 642 Cb 0.21 -2.35 0.03 0.00 -0.02 0.00 0.00 41.25 39.12 1hwk s ASN 642 CO 0.38 -0.13 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.55 1hwk s LEU 643 N -2.73 0.81 -0.21 0.60 2.96 0.29 -2.05 118.68 118.35 1hwk s LEU 643 Ca 0.50 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.24 1hwk s LEU 643 Cb -0.12 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1hwk s LEU 643 CO 0.19 -0.15 0.07 -0.31 -1.32 0.00 0.00 176.35 174.82 1hwk s TYR 644 N 1.67 3.20 -0.21 5.38 1.51 0.09 -1.05 117.35 127.94 1hwk s TYR 644 Ca 0.00 -0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1hwk s TYR 644 Cb -0.13 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1hwk s TYR 644 CO -0.04 -0.01 -0.16 0.42 -1.11 0.00 0.00 175.55 174.65 1hwk s ILE 645 N 0.80 2.24 -0.51 2.71 1.01 -0.92 -0.91 121.20 125.63 1hwk s ILE 645 Ca 0.04 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 1hwk s ILE 645 Cb -0.13 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.35 1hwk s ILE 645 CO 0.02 0.39 0.60 -0.60 0.00 0.00 0.00 174.94 175.35 1hwk s ARG 646 N 1.27 3.10 -0.07 2.79 3.52 0.14 -2.97 118.95 126.73 1hwk s ARG 646 Ca 0.02 -0.97 -0.23 0.00 -0.13 0.00 0.00 55.73 54.42 1hwk s ARG 646 Cb -0.15 -4.11 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 1hwk s ARG 646 CO -0.10 -1.22 0.67 -0.06 -0.81 0.00 0.00 175.30 173.78 1hwk s PHE 647 N 2.52 3.58 -0.08 5.12 0.40 -0.05 -2.58 117.98 126.88 1hwk s PHE 647 Ca 0.14 1.21 0.03 0.00 -0.60 0.00 0.00 56.93 57.70 1hwk s PHE 647 Cb -0.20 -2.76 0.01 0.00 0.51 0.00 0.00 43.02 40.57 1hwk s PHE 647 CO 0.11 0.12 -0.16 -1.14 0.70 0.00 0.00 175.22 174.85 1hwk s GLN 648 N 0.69 2.12 0.03 0.44 0.74 -1.25 -2.00 119.66 120.43 1hwk s GLN 648 Ca 0.36 -0.55 -0.17 0.00 0.05 0.00 0.00 55.36 55.04 1hwk s GLN 648 Cb -0.18 -1.70 0.03 0.00 1.10 0.00 0.00 33.01 32.27 1hwk s GLN 648 CO 0.17 0.05 0.39 0.45 -0.55 0.00 0.00 175.29 175.81 1hwk s SER 649 N 0.63 -0.26 0.92 6.67 0.15 -0.61 -1.31 113.70 119.89 1hwk s SER 649 Ca -0.15 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 1hwk s SER 649 Cb -0.16 0.40 0.14 0.00 -1.71 0.00 0.00 66.02 64.69 1hwk s SER 649 CO 0.04 -0.62 1.12 -0.13 1.20 0.00 0.00 173.24 174.85 1hwk s ARG 650 N -2.27 1.07 -0.21 5.44 1.81 -1.24 -1.47 118.95 122.08 1hwk s ARG 650 Ca -0.07 0.43 0.13 0.00 -1.72 0.00 0.00 55.73 54.50 1hwk s ARG 650 Cb -0.01 -1.82 0.34 0.00 -0.45 0.00 0.00 34.95 33.00 1hwk s ARG 650 CO -0.01 -2.28 1.29 -1.13 -0.68 0.00 0.00 175.30 172.49 1hwk n SER 651 N -3.85 -0.48 0.00 0.23 3.41 -1.26 -4.30 113.62 107.38 1hwk n SER 651 Ca 0.06 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1hwk n SER 651 Cb 0.58 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.78 3.20 0.86 5.00 0.00 -1.26 -1.55 105.19 110.65 1hwk n GLY 652 Ca -0.13 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 2.56 2.54 -4.85 1.61 8.00 -1.26 -3.86 116.55 121.28 1hwk n ASP 653 Ca 0.00 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 1hwk n ASP 653 Cb 0.00 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.52 3.41 0.35 2.24 0.00 -0.60 -0.24 121.76 125.40 1hwk s ALA 654 Ca 0.34 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1hwk s ALA 654 Cb 0.19 -2.67 0.66 0.00 0.00 0.00 0.00 23.12 21.30 1hwk s ALA 654 CO 0.26 0.39 1.96 1.98 0.00 0.00 0.00 175.76 180.35 1hwk h MET 655 N 2.48 0.82 0.00 0.00 4.05 -1.75 -3.43 114.93 117.10 1hwk h MET 655 Ca -0.48 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1hwk h MET 655 Cb 1.18 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 1hwk h MET 655 CO 0.66 0.54 0.00 0.41 0.23 0.00 0.00 176.91 178.76 1hwk n GLY 656 N -1.44 0.71 0.12 1.39 0.00 -1.26 -4.74 105.19 99.96 1hwk n GLY 656 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1hwk n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1hwk h MET 657 N 4.08 -0.15 -0.16 1.61 2.86 -1.94 0.95 114.93 122.19 1hwk h MET 657 Ca 0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1hwk h MET 657 Cb 0.00 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1hwk h MET 657 CO 0.00 -0.10 -0.04 -0.91 1.06 0.00 0.00 176.91 176.92 1hwk h ASN 658 N -0.15 -0.15 0.03 1.22 2.35 -1.99 -0.19 115.58 116.71 1hwk h ASN 658 Ca 0.01 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1hwk h ASN 658 Cb 0.16 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1hwk h ASN 658 CO -0.04 -0.05 -0.09 -0.03 -1.65 0.00 0.00 177.43 175.57 1hwk h MET 659 N -0.00 -0.17 -0.26 0.81 4.05 -1.94 -0.81 114.93 116.61 1hwk h MET 659 Ca 0.08 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1hwk h MET 659 Cb 0.12 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1hwk h MET 659 CO -0.16 -0.12 0.03 0.82 0.23 0.00 0.00 176.91 177.71 1hwk h ILE 660 N -0.18 1.14 -0.25 1.77 5.03 -0.62 -1.56 117.51 122.84 1hwk h ILE 660 Ca 0.02 -0.54 -0.04 0.00 -0.12 0.00 0.00 64.86 64.19 1hwk h ILE 660 Cb 0.21 0.93 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 1hwk h ILE 660 CO -0.07 0.19 0.02 0.28 -0.68 0.00 0.00 178.15 177.88 1hwk h SER 661 N 0.37 0.43 -0.37 1.72 0.02 -0.39 0.14 113.55 115.47 1hwk h SER 661 Ca 0.09 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1hwk h SER 661 Cb 0.20 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1hwk h SER 661 CO 0.00 0.61 0.21 0.50 -1.14 0.00 0.00 176.83 177.01 1hwk h LYS 662 N 0.23 0.42 -0.68 3.45 3.64 -0.79 -1.57 116.57 121.28 1hwk h LYS 662 Ca 0.07 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1hwk h LYS 662 Cb 0.38 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1hwk h LYS 662 CO 0.01 0.28 0.33 0.78 -2.27 0.00 0.00 179.45 178.58 1hwk h GLY 663 N 0.44 1.03 1.03 5.01 0.00 -1.08 -2.82 103.07 106.67 1hwk h GLY 663 Ca 0.14 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1hwk h GLY 663 CO -0.07 0.47 0.10 -0.84 0.00 0.00 0.00 176.54 176.20 1hwk h THR 664 N 0.96 1.26 -0.47 4.70 2.02 -0.28 -2.01 112.91 119.09 1hwk h THR 664 Ca 0.24 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1hwk h THR 664 Cb 0.10 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1hwk h THR 664 CO -0.03 0.36 0.17 -0.33 0.37 0.00 0.00 175.52 176.06 1hwk h GLU 665 N 0.87 0.72 -0.45 6.66 5.08 -1.07 -0.16 114.58 126.23 1hwk h GLU 665 Ca 0.18 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1hwk h GLU 665 Cb 0.42 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1hwk h GLU 665 CO 0.01 0.66 -0.28 0.87 -1.00 0.00 0.00 179.01 179.27 1hwk h LYS 666 N 0.63 0.98 -1.00 2.33 1.57 -1.45 -1.93 116.57 117.70 1hwk h LYS 666 Ca 0.16 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1hwk h LYS 666 Cb 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1hwk h LYS 666 CO -0.01 1.13 0.66 0.00 -0.57 0.00 0.00 179.45 180.66 1hwk h ALA 667 N 0.83 1.32 -0.24 3.86 0.00 -1.19 -0.14 119.26 123.69 1hwk h ALA 667 Ca 0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1hwk h ALA 667 Cb 0.87 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1hwk h ALA 667 CO 0.08 0.61 -0.30 -0.07 0.00 0.00 0.00 179.25 179.57 1hwk h LEU 668 N 1.31 0.51 -0.56 0.00 3.38 -0.82 -0.53 115.31 118.60 1hwk h LEU 668 Ca 0.38 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1hwk h LEU 668 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1hwk h LEU 668 CO -0.10 0.79 -0.16 0.28 0.09 0.00 0.00 178.44 179.34 1hwk h SER 669 N 0.43 0.99 -0.67 -0.43 0.02 -0.44 -0.25 113.55 113.20 1hwk h SER 669 Ca 0.06 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.58 1hwk h SER 669 Cb 0.75 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1hwk h SER 669 CO 0.06 1.13 0.11 0.50 -1.14 0.00 0.00 176.83 177.49 1hwk h LYS 670 N 0.86 1.12 -0.58 3.45 1.63 -0.78 -1.97 116.57 120.30 1hwk h LYS 670 Ca 0.12 -0.30 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 1hwk h LYS 670 Cb 0.73 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 1hwk h LYS 670 CO 0.06 1.02 0.19 1.25 -3.45 0.00 0.00 179.45 178.52 1hwk h LEU 671 N 1.04 0.79 -1.98 5.20 5.85 -0.86 -2.18 115.31 123.16 1hwk h LEU 671 Ca 0.20 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1hwk h LEU 671 Cb 0.45 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1hwk h LEU 671 CO 0.01 0.74 -0.11 -0.74 -0.34 0.00 0.00 178.44 178.01 1hwk h HIS 672 N 0.84 0.00 -0.13 1.25 2.76 -0.28 -1.26 115.15 118.32 1hwk h HIS 672 Ca 0.19 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 1hwk h HIS 672 Cb 0.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1hwk h HIS 672 CO 0.01 0.11 -0.46 0.93 -1.30 0.00 0.00 177.93 177.22 1hwk h GLU 673 N 0.00 0.32 0.00 5.26 5.08 -1.04 -1.93 114.58 122.28 1hwk h GLU 673 Ca -0.00 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1hwk h GLU 673 Cb 0.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1hwk h GLU 673 CO 0.01 0.73 -0.98 1.88 -1.00 0.00 0.00 179.01 179.65 1hwk h TYR 674 N 0.26 0.00 -2.40 4.33 -1.99 -1.39 -3.40 116.97 112.38 1hwk h TYR 674 Ca 0.02 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.16 1hwk h TYR 674 Cb 0.92 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.26 1hwk h TYR 674 CO 0.02 0.50 -0.87 1.19 -0.00 0.00 0.00 178.16 179.00 1hwk n PHE 675 N -3.02 0.76 0.17 4.88 3.01 -0.55 -4.98 117.46 117.74 1hwk n PHE 675 Ca -0.04 -3.71 0.18 0.00 1.01 0.00 0.00 57.45 54.89 1hwk n PHE 675 Cb 0.77 -0.20 0.80 0.00 -0.01 0.00 0.00 39.48 40.85 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 4.96 0.00 0.00 -1.08 0.13 -1.57 -1.31 132.00 133.13 1hwk h PRO 676 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 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 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 1hwk n GLU 677 N -3.80 0.18 -2.30 0.86 4.71 -1.26 -4.84 120.64 114.19 1hwk n GLU 677 Ca 0.03 0.03 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 1hwk n GLU 677 Cb 0.40 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.30 1hwk n GLU 677 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1hwk s MET 678 N -2.80 4.36 -0.21 3.49 1.75 -0.49 -4.58 119.30 120.81 1hwk s MET 678 Ca 0.19 1.91 -0.08 0.00 -1.25 0.00 0.00 55.69 56.46 1hwk s MET 678 Cb 0.18 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 1hwk s MET 678 CO 0.46 -0.38 0.08 -1.14 -0.65 0.00 0.00 175.02 173.38 1hwk s GLN 679 N 1.35 3.88 -0.64 4.11 0.74 0.00 -4.95 119.66 124.15 1hwk s GLN 679 Ca 0.62 -0.38 -0.24 0.00 0.05 0.00 0.00 55.36 55.41 1hwk s GLN 679 Cb -0.32 -3.30 0.06 0.00 1.10 0.00 0.00 33.01 30.54 1hwk s GLN 679 CO 0.29 0.09 1.00 0.42 -0.55 0.00 0.00 175.29 176.54 1hwk s ILE 680 N 0.89 4.25 0.10 -2.34 1.01 -1.26 -0.70 121.20 123.15 1hwk s ILE 680 Ca 0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 1hwk s ILE 680 Cb -0.14 -4.68 -0.15 0.00 0.01 0.00 0.00 42.46 37.50 1hwk s ILE 680 CO 0.03 -1.43 1.31 0.25 0.00 0.00 0.00 174.94 175.09 1hwk h LEU 681 N 11.49 0.94 -7.00 2.97 5.85 -1.73 -3.47 115.31 124.37 1hwk h LEU 681 Ca -0.28 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 57.88 1hwk h LEU 681 Cb 1.07 -0.28 -0.25 0.00 0.37 0.00 0.00 40.66 41.57 1hwk h LEU 681 CO 1.17 1.41 0.29 0.00 -0.34 0.00 0.00 178.44 180.98 1hwk s ALA 682 N -3.77 -2.05 0.63 1.25 0.00 -1.07 -5.02 121.76 111.74 1hwk s ALA 682 Ca -0.10 2.15 0.37 0.00 0.00 0.00 0.00 51.96 54.38 1hwk s ALA 682 Cb 0.08 -1.52 2.12 0.00 0.00 0.00 0.00 23.12 23.80 1hwk s ALA 682 CO 0.90 -0.32 2.31 -0.24 0.00 0.00 0.00 175.76 178.41 1hwk h VAL 683 N 4.52 0.28 -3.42 0.00 3.04 -1.90 -1.82 116.25 116.95 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 1.19 1.00 -0.38 0.00 -2.01 0.00 0.00 31.29 31.09 1hwk h VAL 683 CO 0.15 0.00 -0.79 -0.55 -1.01 0.00 0.00 177.57 175.37 1hwk s SER 684 N -5.69 3.18 -0.27 3.17 0.15 -1.26 -2.87 113.70 110.12 1hwk s SER 684 Ca -0.05 -0.85 0.13 0.00 0.70 0.00 0.00 55.95 55.88 1hwk s SER 684 Cb 0.14 -0.98 0.71 0.00 -1.71 0.00 0.00 66.02 64.17 1hwk s SER 684 CO 0.48 -0.21 1.69 0.61 1.20 0.00 0.00 173.24 177.01 1hwk n GLY 685 N 4.82 3.66 2.42 9.45 0.00 0.78 -4.72 105.19 121.60 1hwk n GLY 685 Ca -0.12 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.09 -4.50 -1.14 1.61 4.13 -1.24 -4.84 115.26 109.18 1hwk n ASN 686 Ca 0.32 0.19 0.12 0.00 1.68 0.00 0.00 54.58 56.89 1hwk n ASN 686 Cb 1.21 -2.66 0.23 0.00 -1.54 0.00 0.00 39.78 37.02 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 -2.58 0.53 0.47 3.10 9.36 -1.20 -4.62 117.16 122.21 1hwk n TYR 687 Ca -0.07 -0.26 -0.18 0.00 3.32 0.00 0.00 57.90 60.70 1hwk n TYR 687 Cb 0.35 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.97 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 -5.47 3.80 -0.23 0.00 2.01 -1.26 -4.72 115.64 109.77 1hwk s THR 689 Ca -0.18 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 1hwk s THR 689 Cb 0.02 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1hwk s THR 689 CO 0.53 0.55 0.12 -0.62 -0.69 0.00 0.00 174.62 174.51 1hwk s ASP 690 N -0.29 5.79 -2.10 3.53 2.15 -1.26 -4.60 116.67 119.89 1hwk s ASP 690 Ca 0.04 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1hwk s ASP 690 Cb -0.13 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1hwk s ASP 690 CO 0.02 0.07 0.00 0.29 -0.17 0.00 0.00 175.17 175.39 1hwk n LYS 691 N 4.21 -1.41 -4.09 4.34 5.02 -1.26 -4.99 118.16 119.99 1hwk n LYS 691 Ca -0.16 1.19 -0.14 0.00 -2.02 0.00 0.00 58.31 57.19 1hwk n LYS 691 Cb 0.52 -5.56 -0.13 0.00 -0.02 0.00 0.00 35.03 29.85 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 -3.78 0.46 0.29 1.97 3.01 -1.26 -4.94 119.74 115.48 1hwk s LYS 692 Ca 0.00 -0.51 -0.30 0.00 -1.01 0.00 0.00 55.97 54.15 1hwk s LYS 692 Cb 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 37.83 36.41 1hwk s LYS 692 CO 0.00 0.07 1.45 -1.25 0.51 0.00 0.00 175.35 176.12 1hwk s PRO 693 N -0.98 4.24 -0.24 -1.68 0.04 -1.26 -4.76 135.00 130.36 1hwk s PRO 693 Ca -0.06 2.37 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1hwk s PRO 693 Cb -0.07 -3.07 0.07 0.00 0.04 0.00 0.00 34.50 31.47 1hwk s PRO 693 CO 0.00 -0.43 0.62 0.00 0.04 0.00 0.00 177.00 177.23 1hwk s ALA 694 N -0.34 -1.61 0.53 8.56 0.00 -1.26 -5.02 121.76 122.62 1hwk s ALA 694 Ca 0.57 2.01 0.20 0.00 0.00 0.00 0.00 51.96 54.75 1hwk s ALA 694 Cb -0.43 -1.18 1.42 0.00 0.00 0.00 0.00 23.12 22.92 1hwk s ALA 694 CO 0.48 -0.33 2.16 0.00 0.00 0.00 0.00 175.76 178.08 1hwk h ALA 695 N 6.29 1.80 -0.55 0.00 0.00 -1.94 -2.47 119.26 122.38 1hwk h ALA 695 Ca -0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1hwk h ALA 695 Cb 1.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1hwk h ALA 695 CO 0.16 0.03 0.24 0.97 0.00 0.00 0.00 179.25 180.65 1hwk h ILE 696 N 0.00 1.19 -0.16 0.00 2.10 -1.98 -0.27 117.51 118.39 1hwk h ILE 696 Ca -0.00 -0.58 -0.15 0.00 1.08 0.00 0.00 64.86 65.21 1hwk h ILE 696 Cb 0.04 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 1hwk h ILE 696 CO 0.00 0.23 -0.53 0.78 -1.08 0.00 0.00 178.15 177.56 1hwk h ASN 697 N 0.78 0.51 -0.37 2.19 2.35 -1.72 -0.59 115.58 118.74 1hwk h ASN 697 Ca 0.19 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1hwk h ASN 697 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1hwk h ASN 697 CO -0.02 0.95 -0.13 -0.25 -1.65 0.00 0.00 177.43 176.33 1hwk h TRP 698 N 0.36 0.84 0.18 1.19 2.91 -1.39 -0.01 115.95 120.03 1hwk h TRP 698 Ca 0.01 -0.19 -0.33 0.00 1.13 0.00 0.00 58.89 59.51 1hwk h TRP 698 Cb 1.05 -0.20 0.01 0.00 -0.51 0.00 0.00 29.16 29.51 1hwk h TRP 698 CO 0.04 0.90 -1.55 0.82 -1.03 0.00 0.00 178.44 177.61 1hwk h ILE 699 N 0.53 1.16 -0.01 2.65 2.04 -1.06 -3.39 117.51 119.43 1hwk h ILE 699 Ca 0.09 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1hwk h ILE 699 Cb 0.66 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1hwk h ILE 699 CO 0.04 0.84 -0.42 -0.62 0.00 0.00 0.00 178.15 177.99 1hwk n GLU 700 N -3.57 2.02 -0.16 2.37 1.02 -0.23 -5.10 120.64 117.00 1hwk n GLU 700 Ca -0.18 -0.49 0.02 0.00 -0.02 0.00 0.00 57.16 56.49 1hwk n GLU 700 Cb 1.07 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 31.28 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 1.17 -2.60 3.59 0.62 0.00 -0.02 -5.02 105.19 102.93 1hwk n GLY 701 Ca 0.05 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 1hwk n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hwk s ARG 702 N -2.98 0.66 7.12 1.61 3.52 -1.07 -4.70 118.95 123.12 1hwk s ARG 702 Ca 0.00 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1hwk s ARG 702 Cb 0.00 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 1hwk s ARG 702 CO 0.00 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 1hwk n GLY 703 N 4.31 1.85 3.60 8.12 0.00 0.57 -3.30 105.19 120.36 1hwk n GLY 703 Ca -0.20 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 3.93 -0.23 1.61 -0.14 0.26 -0.15 119.74 125.03 1hwk s LYS 704 Ca 0.00 -0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 54.14 1hwk s LYS 704 Cb 0.00 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 1hwk s LYS 704 CO 0.00 0.15 0.21 -1.12 -0.76 0.00 0.00 175.35 173.83 1hwk s SER 705 N 0.72 6.20 0.06 2.83 0.01 -0.25 -1.04 113.70 122.22 1hwk s SER 705 Ca 0.04 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.54 1hwk s SER 705 Cb -0.13 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1hwk s SER 705 CO 0.02 0.05 -0.09 -0.69 0.41 0.00 0.00 173.24 172.93 1hwk s VAL 706 N 1.04 0.72 -0.00 3.43 1.01 0.73 -0.13 120.40 127.19 1hwk s VAL 706 Ca 0.10 -1.28 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1hwk s VAL 706 Cb -0.14 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1hwk s VAL 706 CO 0.05 -0.42 -0.04 0.54 0.00 0.00 0.00 175.10 175.23 1hwk s VAL 707 N -1.72 0.29 0.08 2.92 0.11 -0.74 -0.38 120.40 120.95 1hwk s VAL 707 Ca -0.04 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1hwk s VAL 707 Cb -0.08 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1hwk s VAL 707 CO 0.00 0.09 -0.06 0.00 -3.33 0.00 0.00 175.10 171.80 1hwk s GLU 709 N -3.57 1.25 0.00 0.00 -1.05 -0.10 -1.67 118.70 113.56 1hwk s GLU 709 Ca 0.08 -0.89 -0.28 0.00 -0.15 0.00 0.00 54.97 53.73 1hwk s GLU 709 Cb 0.04 0.48 0.10 0.00 -0.44 0.00 0.00 34.13 34.31 1hwk s GLU 709 CO -0.05 -0.50 0.86 0.00 0.95 0.00 0.00 175.26 176.51 1hwk s ALA 710 N -3.87 -1.81 -0.12 -0.84 0.00 -0.57 -1.47 121.76 113.08 1hwk s ALA 710 Ca 0.09 0.99 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1hwk s ALA 710 Cb 0.01 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1hwk s ALA 710 CO -0.05 -0.68 -0.19 0.08 0.00 0.00 0.00 175.76 174.93 1hwk s VAL 711 N -3.08 1.78 -0.27 0.00 1.01 -1.26 -1.28 120.40 117.31 1hwk s VAL 711 Ca 0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1hwk s VAL 711 Cb -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 1hwk s VAL 711 CO -0.09 0.50 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1hwk s ILE 712 N 0.89 4.39 0.38 2.22 -1.09 0.78 -4.64 121.20 124.13 1hwk s ILE 712 Ca -0.07 -0.27 -0.28 0.00 -2.23 0.00 0.00 60.65 57.80 1hwk s ILE 712 Cb -0.15 -3.12 -0.11 0.00 -1.58 0.00 0.00 42.46 37.50 1hwk s ILE 712 CO -0.02 0.24 1.44 -2.65 -1.23 0.00 0.00 174.94 172.73 1hwk n PRO 713 N 4.94 2.53 -0.30 2.79 -0.02 -1.26 -0.65 135.00 143.02 1hwk n PRO 713 Ca -0.15 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.35 1hwk n PRO 713 Cb 0.51 -2.60 0.30 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.80 1.28 -0.79 3.55 0.00 -1.93 0.81 119.26 124.98 1hwk h ALA 714 Ca -0.50 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1hwk h ALA 714 Cb 1.25 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1hwk h ALA 714 CO 0.63 -0.51 0.51 -0.22 0.00 0.00 0.00 179.25 179.67 1hwk h LYS 715 N 0.16 0.99 -0.45 0.00 3.64 -1.90 -0.65 116.57 118.37 1hwk h LYS 715 Ca 0.57 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.77 1hwk h LYS 715 Cb 1.17 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1hwk h LYS 715 CO -0.70 0.66 -0.18 0.28 -2.27 0.00 0.00 179.45 177.24 1hwk h VAL 716 N 1.02 1.27 -0.46 2.00 2.07 -1.22 0.11 116.25 121.03 1hwk h VAL 716 Ca 0.31 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1hwk h VAL 716 Cb -0.04 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1hwk h VAL 716 CO -0.09 0.45 0.09 0.58 0.02 0.00 0.00 177.57 178.62 1hwk h VAL 717 N 0.78 1.21 -0.00 2.57 2.07 -0.85 0.12 116.25 122.15 1hwk h VAL 717 Ca 0.11 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1hwk h VAL 717 Cb 0.71 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1hwk h VAL 717 CO 0.05 0.28 -0.01 -0.09 0.02 0.00 0.00 177.57 177.82 1hwk h ARG 718 N 0.68 0.01 0.19 1.57 2.43 -0.80 -2.11 114.38 116.34 1hwk h ARG 718 Ca 0.15 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.98 1hwk h ARG 718 Cb 0.28 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1hwk h ARG 718 CO 0.00 0.69 -1.62 0.93 -1.51 0.00 0.00 179.97 178.47 1hwk h GLU 719 N -0.67 0.39 0.07 0.20 5.08 -0.71 -2.83 114.58 116.12 1hwk h GLU 719 Ca -0.00 -0.67 -0.30 0.00 -1.00 0.00 0.00 59.36 57.39 1hwk h GLU 719 Cb 0.70 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1hwk h GLU 719 CO 0.00 1.30 -1.63 0.28 -1.00 0.00 0.00 179.01 177.96 1hwk h VAL 720 N 0.11 0.78 -0.00 3.13 2.07 -0.96 -3.40 116.25 117.98 1hwk h VAL 720 Ca -0.29 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1hwk h VAL 720 Cb 2.09 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 1hwk h VAL 720 CO 0.20 0.62 -0.41 0.18 0.02 0.00 0.00 177.57 178.19 1hwk n LEU 721 N -3.94 0.85 -3.29 2.57 4.77 -1.09 -4.98 117.00 111.89 1hwk n LEU 721 Ca -0.32 -0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.24 1hwk n LEU 721 Cb 0.87 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 1hwk n LEU 721 CO 0.32 0.18 0.07 0.29 -1.33 0.00 0.00 177.39 176.92 1hwk n LYS 722 N -1.01 -5.62 -0.89 3.23 4.76 -0.83 -4.64 118.16 113.15 1hwk n LYS 722 Ca 0.09 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 1hwk n LYS 722 Cb 0.35 -5.72 0.00 0.00 -1.84 0.00 0.00 35.03 27.82 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 -4.61 0.00 -4.48 -0.18 5.66 -0.98 -4.73 114.28 104.95 1hwk n THR 723 Ca -0.06 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.70 1hwk n THR 723 Cb 0.59 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.27 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 2.44 0.21 1.09 -4.23 -1.26 -3.27 115.64 107.77 1hwk s THR 724 Ca 0.00 -2.35 -0.09 0.00 -1.18 0.00 0.00 61.69 58.07 1hwk s THR 724 Cb 0.00 -2.39 0.16 0.00 1.34 0.00 0.00 72.50 71.61 1hwk s THR 724 CO 0.00 -0.35 1.82 0.74 -0.54 0.00 0.00 174.62 176.29 1hwk h THR 725 N 2.20 1.24 -0.41 3.99 2.02 -1.92 -2.08 112.91 117.95 1hwk h THR 725 Ca -0.41 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1hwk h THR 725 Cb 1.26 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1hwk h THR 725 CO 0.63 0.27 0.26 -0.08 0.37 0.00 0.00 175.52 176.97 1hwk h GLU 726 N 1.10 0.51 -0.60 6.66 4.81 -1.90 -1.25 114.58 123.89 1hwk h GLU 726 Ca 0.27 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1hwk h GLU 726 Cb 0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1hwk h GLU 726 CO -0.04 0.34 0.19 0.00 -0.73 0.00 0.00 179.01 178.76 1hwk h ALA 727 N 1.17 0.79 -0.63 2.92 0.00 -1.93 -2.10 119.26 119.48 1hwk h ALA 727 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1hwk h ALA 727 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1hwk h ALA 727 CO -0.05 0.46 0.26 0.52 0.00 0.00 0.00 179.25 180.43 1hwk h MET 728 N 0.86 0.94 -0.57 0.00 2.86 -1.08 -2.07 114.93 115.86 1hwk h MET 728 Ca 0.19 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1hwk h MET 728 Cb 0.29 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1hwk h MET 728 CO -0.01 0.79 0.27 0.82 1.06 0.00 0.00 176.91 179.84 1hwk h ILE 729 N 0.88 1.21 -0.40 -1.22 2.04 -1.10 -0.23 117.51 118.69 1hwk h ILE 729 Ca 0.21 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1hwk h ILE 729 Cb 0.20 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1hwk h ILE 729 CO -0.02 0.24 -0.05 -0.33 0.00 0.00 0.00 178.15 177.99 1hwk h GLU 730 N 0.78 0.66 -0.17 2.37 4.39 -1.24 -1.52 114.58 119.85 1hwk h GLU 730 Ca 0.20 -0.18 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 1hwk h GLU 730 Cb 0.13 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1hwk h GLU 730 CO -0.02 0.72 -0.65 0.28 -1.16 0.00 0.00 179.01 178.18 1hwk h VAL 731 N 0.62 1.30 -0.36 3.13 2.07 -1.02 -2.70 116.25 119.30 1hwk h VAL 731 Ca 0.12 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 1hwk h VAL 731 Cb 0.47 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1hwk h VAL 731 CO 0.02 0.59 0.20 -1.13 0.02 0.00 0.00 177.57 177.27 1hwk h ASN 732 N 0.46 0.44 -0.29 0.57 -1.24 -0.77 0.37 115.58 115.11 1hwk h ASN 732 Ca -0.03 -0.08 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1hwk h ASN 732 Cb 1.28 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 1hwk h ASN 732 CO 0.14 0.39 0.04 0.40 -1.29 0.00 0.00 177.43 177.11 1hwk h ILE 733 N 0.45 1.24 0.00 2.57 2.04 -1.36 -0.81 117.51 121.64 1hwk h ILE 733 Ca 0.13 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1hwk h ILE 733 Cb 0.04 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1hwk h ILE 733 CO -0.02 0.27 -0.04 0.78 0.00 0.00 0.00 178.15 179.13 1hwk h ASN 734 N 0.31 0.00 0.00 1.72 2.35 -1.32 -0.55 115.58 118.08 1hwk h ASN 734 Ca 0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1hwk h ASN 734 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1hwk h ASN 734 CO 0.01 0.00 -0.70 1.17 -1.65 0.00 0.00 177.43 176.26 1hwk n LYS 735 N -2.73 0.37 0.23 0.81 4.81 0.11 -1.89 118.16 119.87 1hwk n LYS 735 Ca 0.05 0.15 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 1hwk n LYS 735 Cb 0.49 -1.14 0.46 0.00 0.02 0.00 0.00 35.03 34.85 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 -0.70 0.00 0.00 3.14 2.35 -1.28 -2.19 115.58 116.89 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 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1hwk h ASN 736 CO 0.00 0.20 -0.22 0.18 -1.65 0.00 0.00 177.43 175.94 1hwk n LEU 737 N -3.33 0.54 -0.07 1.61 4.77 -1.10 -4.21 117.00 115.21 1hwk n LEU 737 Ca 0.00 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1hwk n LEU 737 Cb 0.43 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1hwk n LEU 737 CO 0.33 -0.48 0.82 0.58 -1.33 0.00 0.00 177.39 177.32 1hwk h VAL 738 N -0.22 1.20 -0.12 4.08 2.07 -1.28 -1.02 116.25 120.96 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 0.22 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1hwk h VAL 738 CO 0.00 0.20 0.07 1.23 0.02 0.00 0.00 177.57 179.10 1hwk h GLY 739 N 0.17 0.18 1.61 2.17 0.00 -1.08 0.59 103.07 106.71 1hwk h GLY 739 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1hwk h GLY 739 CO -0.00 0.07 0.15 1.76 0.00 0.00 0.00 176.54 178.52 1hwk h SER 740 N 0.13 0.46 -0.39 0.19 0.02 -1.37 -1.04 113.55 111.55 1hwk h SER 740 Ca 0.04 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1hwk h SER 740 Cb 0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1hwk h SER 740 CO -0.01 0.42 -0.20 0.00 -1.14 0.00 0.00 176.83 175.90 1hwk h ALA 741 N 1.65 0.56 0.00 3.77 0.00 -0.58 -1.68 119.26 122.98 1hwk h ALA 741 Ca 0.13 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1hwk h ALA 741 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hwk h ALA 741 CO -0.01 0.51 -0.32 0.52 0.00 0.00 0.00 179.25 179.96 1hwk h MET 742 N 0.64 0.00 0.00 0.00 2.86 -0.27 -2.45 114.93 115.71 1hwk h MET 742 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1hwk h MET 742 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1hwk h MET 742 CO 0.06 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.34 1hwk n ALA 743 N -2.46 2.43 -2.82 6.32 0.00 -0.45 -4.92 120.51 118.61 1hwk n ALA 743 Ca -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1hwk n ALA 743 Cb 0.36 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 1.32 0.26 3.81 0.00 0.00 -0.92 -5.02 105.19 104.63 1hwk n GLY 744 Ca 0.12 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.29 7.10 -0.26 1.61 0.15 -0.66 -5.06 113.70 113.29 1hwk s SER 745 Ca 0.15 1.36 0.03 0.00 0.70 0.00 0.00 55.95 58.19 1hwk s SER 745 Cb -0.07 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1hwk s SER 745 CO 0.30 0.17 -0.11 -0.63 1.20 0.00 0.00 173.24 174.17 1hwk s ILE 746 N -1.28 2.17 0.00 6.45 1.01 -1.26 -4.68 121.20 123.61 1hwk s ILE 746 Ca 0.36 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1hwk s ILE 746 Cb -0.19 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1hwk s ILE 746 CO 0.21 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1hwk n GLY 747 N 4.43 0.83 2.67 6.18 0.00 -1.26 -4.93 105.19 113.11 1hwk n GLY 747 Ca -0.14 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 -2.04 5.77 2.50 -0.02 0.00 -1.26 -1.74 105.19 108.40 1hwk n GLY 748 Ca 0.00 -2.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.09 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 -0.56 2.29 -3.98 1.61 4.02 -0.90 -4.83 117.16 114.81 1hwk n TYR 749 Ca 0.49 -2.51 -0.10 0.00 -0.01 0.00 0.00 57.90 55.77 1hwk n TYR 749 Cb 0.45 -1.63 -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 0.23 0.11 -0.19 7.72 2.20 -1.23 -0.70 114.94 123.08 1hwk s ASN 750 Ca 0.55 -1.04 -0.19 0.00 -0.94 0.00 0.00 52.86 51.24 1hwk s ASN 750 Cb 0.25 0.65 -0.16 0.00 -2.00 0.00 0.00 41.25 40.00 1hwk s ASN 750 CO -0.15 -1.26 0.13 0.00 -2.94 0.00 0.00 177.10 172.89 1hwk h ALA 751 N 2.17 0.21 -0.09 3.54 0.00 -1.93 -3.46 119.26 119.70 1hwk h ALA 751 Ca -0.27 -1.05 -0.20 0.00 0.00 0.00 0.00 54.91 53.39 1hwk h ALA 751 Cb 1.25 0.68 -0.18 0.00 0.00 0.00 0.00 17.79 19.54 1hwk h ALA 751 CO 0.36 0.65 -0.41 -2.39 0.00 0.00 0.00 179.25 177.45 1hwk n HIS 752 N -4.48 -1.77 -0.28 0.00 1.44 -1.26 -4.95 115.22 103.92 1hwk n HIS 752 Ca -0.26 -1.87 0.14 0.00 -2.01 0.00 0.00 57.72 53.71 1hwk n HIS 752 Cb 0.59 1.33 0.40 0.00 0.12 0.00 0.00 29.99 32.43 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 1.56 1.89 -0.68 1.59 0.00 -1.89 -0.75 119.26 120.99 1hwk h ALA 753 Ca -0.35 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1hwk h ALA 753 Cb 1.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1hwk h ALA 753 CO -0.08 -0.16 0.45 0.00 0.00 0.00 0.00 179.25 179.46 1hwk h ALA 754 N 1.61 1.77 -0.29 0.00 0.00 -1.93 -0.20 119.26 120.22 1hwk h ALA 754 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1hwk h ALA 754 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1hwk h ALA 754 CO -0.22 0.12 0.19 -0.91 0.00 0.00 0.00 179.25 178.42 1hwk h ASN 755 N 0.67 0.33 -0.14 0.00 2.35 -1.54 -0.56 115.58 116.70 1hwk h ASN 755 Ca 0.30 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1hwk h ASN 755 Cb 0.30 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1hwk h ASN 755 CO -0.10 0.25 -0.25 0.40 -1.65 0.00 0.00 177.43 176.09 1hwk h ILE 756 N 0.39 1.37 -0.47 2.81 5.03 -1.45 -2.47 117.51 122.71 1hwk h ILE 756 Ca 0.10 -1.50 0.05 0.00 -0.12 0.00 0.00 64.86 63.40 1hwk h ILE 756 Cb -0.04 2.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.71 1hwk h ILE 756 CO -0.02 0.44 0.21 0.58 -0.68 0.00 0.00 178.15 178.68 1hwk h VAL 757 N 0.01 0.92 -0.33 1.67 2.07 -1.03 -1.84 116.25 117.72 1hwk h VAL 757 Ca 0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1hwk h VAL 757 Cb 0.83 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1hwk h VAL 757 CO 0.06 0.08 0.13 0.74 0.02 0.00 0.00 177.57 178.59 1hwk h THR 758 N 0.43 1.19 -0.57 2.57 2.02 -1.12 -0.18 112.91 117.24 1hwk h THR 758 Ca 0.21 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1hwk h THR 758 Cb 0.15 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1hwk h THR 758 CO -0.17 0.20 0.18 0.00 0.37 0.00 0.00 175.52 176.10 1hwk h ALA 759 N 0.97 0.74 -0.34 6.16 0.00 -1.28 -1.56 119.26 123.97 1hwk h ALA 759 Ca 0.11 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1hwk h ALA 759 Cb 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1hwk h ALA 759 CO -0.01 0.41 -0.42 0.82 0.00 0.00 0.00 179.25 180.04 1hwk h ILE 760 N 0.80 1.28 -0.59 0.00 2.04 -1.24 -0.70 117.51 119.10 1hwk h ILE 760 Ca 0.18 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1hwk h ILE 760 Cb 0.28 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1hwk h ILE 760 CO -0.01 0.53 0.38 1.88 0.00 0.00 0.00 178.15 180.93 1hwk h TYR 761 N 0.68 0.75 -0.50 1.37 -1.99 -0.84 -0.39 116.97 116.04 1hwk h TYR 761 Ca 0.04 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 1hwk h TYR 761 Cb 1.02 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.48 1hwk h TYR 761 CO 0.07 0.48 0.02 0.82 -0.00 0.00 0.00 178.16 179.55 1hwk h ILE 762 N 0.79 1.26 -0.12 -2.88 2.04 -1.31 -0.10 117.51 117.20 1hwk h ILE 762 Ca 0.21 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 1hwk h ILE 762 Cb -0.07 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1hwk h ILE 762 CO -0.04 0.37 -0.38 0.00 0.00 0.00 0.00 178.15 178.09 1hwk h ALA 763 N 0.95 1.13 -0.61 1.87 0.00 -1.25 -3.24 119.26 118.12 1hwk h ALA 763 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1hwk h ALA 763 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hwk h ALA 763 CO 0.02 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1hwk n GLY 765 N 0.90 0.39 3.95 0.00 0.00 -1.01 -4.57 105.19 104.85 1hwk n GLY 765 Ca 0.26 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1hwk n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hwk s GLN 766 N -3.99 1.70 -0.60 1.61 -1.52 -0.08 -2.91 119.66 113.87 1hwk s GLN 766 Ca 0.00 -0.53 -0.23 0.00 -1.95 0.00 0.00 55.36 52.64 1hwk s GLN 766 Cb 0.00 -2.15 0.05 0.00 -0.22 0.00 0.00 33.01 30.70 1hwk s GLN 766 CO 0.00 -1.55 0.94 0.34 -0.25 0.00 0.00 175.29 174.77 1hwk s ASP 767 N -4.66 6.26 0.60 5.90 -1.08 -1.26 -4.73 116.67 117.69 1hwk s ASP 767 Ca 0.65 -0.66 0.32 0.00 -0.52 0.00 0.00 52.55 52.34 1hwk s ASP 767 Cb -0.08 -2.42 1.88 0.00 -1.46 0.00 0.00 42.92 40.84 1hwk s ASP 767 CO 0.46 -1.32 2.25 0.00 0.52 0.00 0.00 175.17 177.09 1hwk h ALA 768 N 9.42 1.40 0.00 3.66 0.00 -1.94 -1.12 119.26 130.67 1hwk h ALA 768 Ca -0.27 -0.01 -0.02 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 18.86 1hwk h ALA 768 CO 1.13 0.02 -0.09 0.00 0.00 0.00 0.00 179.25 180.30 1hwk h ALA 769 N 1.98 1.11 0.00 0.00 0.00 -2.01 -1.88 119.26 118.46 1hwk h ALA 769 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hwk h ALA 769 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1hwk h ALA 769 CO 0.00 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.41 1hwk n GLN 770 N -3.35 0.81 0.29 0.00 6.02 -0.42 -2.96 117.38 117.78 1hwk n GLN 770 Ca -0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.17 1hwk n GLN 770 Cb 0.27 -1.34 0.86 0.00 1.02 0.00 0.00 30.24 31.06 1hwk n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1hwk h ASN 771 N 0.00 0.00 0.20 1.08 -1.07 -1.50 -0.58 115.58 113.71 1hwk h ASN 771 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 56.30 56.38 1hwk h ASN 771 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1hwk h ASN 771 CO 0.00 0.00 -0.30 0.58 0.07 0.00 0.00 177.43 177.78 1hwk h VAL 772 N 0.00 0.36 0.00 6.14 2.07 -1.78 -2.44 116.25 120.60 1hwk h VAL 772 Ca 0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 1hwk h VAL 772 Cb 0.33 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1hwk h VAL 772 CO 0.00 0.00 -1.89 0.61 0.02 0.00 0.00 177.57 176.31 1hwk n GLY 773 N -1.41 -1.03 0.28 2.17 0.00 -1.16 -4.24 105.19 99.80 1hwk n GLY 773 Ca -0.08 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1hwk n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1hwk h SER 774 N 0.00 0.00 -0.00 1.61 0.02 -1.11 -1.96 113.55 112.11 1hwk h SER 774 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1hwk h SER 774 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1hwk h SER 774 CO 0.06 0.06 -0.00 -1.54 -1.14 0.00 0.00 176.83 174.26 1hwk n SER 775 N -3.80 0.40 -4.69 3.07 3.41 -0.92 -4.45 113.62 106.63 1hwk n SER 775 Ca -0.02 -1.13 -0.44 0.00 -0.26 0.00 0.00 58.87 57.02 1hwk n SER 775 Cb 0.15 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1hwk n SER 775 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hwk n ASN 776 N -0.69 3.16 -3.64 4.04 3.02 -0.74 -4.57 115.26 115.85 1hwk n ASN 776 Ca 0.23 1.13 -0.08 0.00 -0.03 0.00 0.00 54.58 55.83 1hwk n ASN 776 Cb 0.18 -1.48 -0.07 0.00 -0.61 0.00 0.00 39.78 37.80 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 0.26 2.53 -0.24 0.00 2.07 -0.60 -2.12 121.20 123.10 1hwk s ILE 778 Ca 0.03 -0.91 -0.11 0.00 -1.41 0.00 0.00 60.65 58.25 1hwk s ILE 778 Cb -0.05 -2.17 -0.05 0.00 0.13 0.00 0.00 42.46 40.32 1hwk s ILE 778 CO -0.08 0.40 0.19 -0.89 -1.91 0.00 0.00 174.94 172.65 1hwk s THR 779 N 1.33 5.33 -0.03 4.00 2.01 0.12 -1.84 115.64 126.56 1hwk s THR 779 Ca 0.03 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1hwk s THR 779 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1hwk s THR 779 CO -0.08 0.32 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.16 1hwk s LEU 780 N 1.19 2.05 -0.02 4.42 1.43 0.17 -4.90 118.68 123.02 1hwk s LEU 780 Ca 0.09 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1hwk s LEU 780 Cb -0.14 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1hwk s LEU 780 CO 0.06 0.29 -0.13 -0.04 0.23 0.00 0.00 176.35 176.76 1hwk s MET 781 N -0.49 1.17 -0.01 1.70 -1.94 -1.26 -1.14 119.30 117.33 1hwk s MET 781 Ca 0.07 -0.45 -0.06 0.00 -1.71 0.00 0.00 55.69 53.53 1hwk s MET 781 Cb -0.10 -1.10 0.00 0.00 2.01 0.00 0.00 34.83 35.64 1hwk s MET 781 CO -0.00 0.23 0.13 -2.00 -0.01 0.00 0.00 175.02 173.37 1hwk s GLU 782 N -0.12 0.40 0.05 2.03 2.12 0.22 -4.90 118.70 118.49 1hwk s GLU 782 Ca 0.01 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1hwk s GLU 782 Cb -0.07 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 1hwk s GLU 782 CO 0.00 -0.09 1.03 0.00 -0.54 0.00 0.00 175.26 175.66 1hwk s ALA 783 N -1.03 3.23 0.33 6.30 0.00 -1.26 0.10 121.76 129.44 1hwk s ALA 783 Ca -0.11 0.62 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1hwk s ALA 783 Cb -0.06 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1hwk s ALA 783 CO 0.01 -0.22 0.29 -1.54 0.00 0.00 0.00 175.76 174.30 1hwk s SER 784 N 0.73 1.64 0.00 0.00 1.04 0.24 -4.84 113.70 112.51 1hwk s SER 784 Ca 0.52 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1hwk s SER 784 Cb -0.24 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1hwk s SER 784 CO 0.29 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1hwk n GLY 785 N -0.62 0.42 0.31 7.32 0.00 -1.26 -1.55 105.19 109.80 1hwk n GLY 785 Ca 0.07 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1hwk n GLY 785 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hwk h PRO 786 N 0.00 0.23 -0.32 1.61 0.13 -2.01 -1.23 132.00 130.41 1hwk h PRO 786 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1hwk h PRO 786 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1hwk h PRO 786 CO 0.00 0.15 0.00 0.25 -0.23 0.00 0.00 178.00 178.17 1hwk n THR 787 N -5.20 1.63 -3.05 1.56 -2.24 -1.26 -4.97 114.28 100.75 1hwk n THR 787 Ca 0.21 -1.41 -0.22 0.00 -2.27 0.00 0.00 64.05 60.36 1hwk n THR 787 Cb 0.67 0.14 0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.07 -5.33 -0.27 3.42 4.13 -0.46 -4.87 115.26 111.95 1hwk n ASN 788 Ca 0.17 -0.27 0.05 0.00 1.68 0.00 0.00 54.58 56.20 1hwk n ASN 788 Cb 0.66 -4.35 0.01 0.00 -1.54 0.00 0.00 39.78 34.57 1hwk n ASN 788 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1hwk n GLU 789 N -3.82 1.48 -3.39 3.52 1.02 -1.10 -4.49 120.64 113.86 1hwk n GLU 789 Ca -0.10 -0.75 -0.29 0.00 -0.02 0.00 0.00 57.16 56.00 1hwk n GLU 789 Cb 0.60 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 1hwk n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hwk s ASP 790 N -1.09 6.46 -0.33 1.62 1.01 -0.59 -3.93 116.67 119.81 1hwk s ASP 790 Ca 0.09 0.70 -0.09 0.00 0.71 0.00 0.00 52.55 53.95 1hwk s ASP 790 Cb 0.07 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.88 1hwk s ASP 790 CO 0.19 -0.16 0.16 -0.22 0.21 0.00 0.00 175.17 175.34 1hwk s LEU 791 N -3.44 4.27 -0.06 1.23 2.96 0.18 -0.59 118.68 123.22 1hwk s LEU 791 Ca 0.44 -0.73 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 1hwk s LEU 791 Cb -0.11 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1hwk s LEU 791 CO 0.29 -0.26 0.48 -0.47 -1.32 0.00 0.00 176.35 175.07 1hwk s TYR 792 N 1.57 3.61 0.00 5.38 5.04 0.12 -0.16 117.35 132.91 1hwk s TYR 792 Ca 0.03 0.98 0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1hwk s TYR 792 Cb -0.18 -2.49 -0.00 0.00 0.35 0.00 0.00 41.96 39.64 1hwk s TYR 792 CO 0.06 0.34 -0.03 -1.50 -1.34 0.00 0.00 175.55 173.08 1hwk s ILE 793 N -0.04 0.22 0.00 3.14 2.07 -0.40 -0.61 121.20 125.58 1hwk s ILE 793 Ca 0.26 -0.20 -0.02 0.00 -1.41 0.00 0.00 60.65 59.28 1hwk s ILE 793 Cb -0.16 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 1hwk s ILE 793 CO 0.13 0.01 0.03 -0.94 -1.91 0.00 0.00 174.94 172.25 1hwk s SER 794 N -0.21 0.09 -0.08 4.50 1.04 -0.29 -1.50 113.70 117.24 1hwk s SER 794 Ca -0.00 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.23 1hwk s SER 794 Cb -0.02 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1hwk s SER 794 CO -0.00 -0.19 -0.13 0.00 0.98 0.00 0.00 173.24 173.90 1hwk s THR 796 N 0.88 2.36 -0.32 0.00 2.01 -0.77 -1.34 115.64 118.47 1hwk s THR 796 Ca -0.10 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1hwk s THR 796 Cb -0.15 -2.00 0.10 0.00 0.01 0.00 0.00 72.50 70.46 1hwk s THR 796 CO 0.01 0.52 0.06 -0.04 -0.69 0.00 0.00 174.62 174.48 1hwk s MET 797 N 1.10 1.15 0.00 4.92 -1.94 0.48 -1.56 119.30 123.46 1hwk s MET 797 Ca 0.00 -1.46 0.27 0.00 -1.71 0.00 0.00 55.69 52.80 1hwk s MET 797 Cb -0.14 -2.62 1.32 0.00 2.01 0.00 0.00 34.83 35.39 1hwk s MET 797 CO -0.06 -0.93 1.91 -0.35 -0.01 0.00 0.00 175.02 175.57 1hwk n PRO 798 N 4.55 0.30 -3.03 2.03 -0.04 -1.26 -0.19 135.00 137.36 1hwk n PRO 798 Ca 0.00 0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 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 -1.33 -0.13 -4.57 3.54 3.41 -1.24 -2.60 113.62 110.71 1hwk n SER 799 Ca 0.11 -3.20 -0.43 0.00 -0.26 0.00 0.00 58.87 55.10 1hwk n SER 799 Cb 0.24 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.61 4.28 -0.43 -1.33 1.01 -0.21 -3.36 121.20 119.55 1hwk s ILE 800 Ca 0.34 0.78 -0.20 0.00 0.00 0.00 0.00 60.65 61.57 1hwk s ILE 800 Cb 0.34 -4.57 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1hwk s ILE 800 CO -0.07 -1.06 0.63 -1.61 0.00 0.00 0.00 174.94 172.83 1hwk s GLU 801 N 4.25 3.32 0.16 2.79 2.02 -1.26 -0.57 118.70 129.40 1hwk s GLU 801 Ca 0.39 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.89 1hwk s GLU 801 Cb -0.09 -3.93 0.03 0.00 0.10 0.00 0.00 34.13 30.23 1hwk s GLU 801 CO 0.26 -0.97 0.43 -1.50 0.02 0.00 0.00 175.26 173.50 1hwk s ILE 802 N 2.77 0.05 0.06 -1.63 2.07 -1.26 -4.88 121.20 118.38 1hwk s ILE 802 Ca 0.22 -0.77 -0.26 0.00 -1.41 0.00 0.00 60.65 58.43 1hwk s ILE 802 Cb -0.14 -1.43 0.09 0.00 0.13 0.00 0.00 42.46 41.11 1hwk s ILE 802 CO 0.18 -0.24 0.75 -0.83 -1.91 0.00 0.00 174.94 172.89 1hwk s GLY 803 N -2.85 -0.53 0.00 1.50 0.00 -1.26 -3.54 107.32 100.63 1hwk s GLY 803 Ca 0.07 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.65 1hwk s GLY 803 CO -0.07 0.33 0.96 -1.30 0.00 0.00 0.00 173.10 173.03 1hwk n THR 804 N -0.18 0.87 -3.89 0.90 -2.24 0.67 -4.84 114.28 105.58 1hwk n THR 804 Ca -0.13 -0.93 -0.11 0.00 -2.27 0.00 0.00 64.05 60.60 1hwk n THR 804 Cb 0.63 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.88 0.02 0.00 2.28 1.01 -1.20 -1.51 120.40 120.12 1hwk s VAL 805 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1hwk s VAL 805 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.32 1hwk s VAL 805 CO 0.02 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1hwk n GLY 806 N 2.80 -0.83 7.00 4.51 0.00 -1.26 -4.35 105.19 113.05 1hwk n GLY 806 Ca -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.76 3.13 0.09 -0.02 0.00 -1.26 -1.90 105.19 104.48 1hwk n GLY 807 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.17 0.00 -0.02 0.00 -1.22 -2.15 105.19 100.63 1hwk n GLY 808 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.02 0.36 0.54 2.61 -2.24 -0.80 -2.43 114.28 110.30 1hwk n THR 809 Ca 0.02 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1hwk n THR 809 Cb 0.20 -0.71 0.40 0.00 -2.10 0.00 0.00 70.33 68.12 1hwk n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1hwk h ASN 810 N 0.00 0.00 -3.59 3.42 2.35 -1.55 -3.40 115.58 112.81 1hwk h ASN 810 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 1hwk h ASN 810 Cb 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1hwk h ASN 810 CO 0.00 0.00 0.18 -0.76 -1.65 0.00 0.00 177.43 175.20 1hwk s LEU 811 N -4.73 4.47 0.14 1.61 1.43 -1.02 -4.98 118.68 115.61 1hwk s LEU 811 Ca 0.09 1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 54.61 1hwk s LEU 811 Cb 0.11 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1hwk s LEU 811 CO 0.57 0.11 1.75 -0.07 0.23 0.00 0.00 176.35 178.94 1hwk h LEU 812 N 3.85 0.13 -0.74 1.79 3.38 -1.89 -0.87 115.31 120.95 1hwk h LEU 812 Ca -0.47 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1hwk h LEU 812 Cb 1.20 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1hwk h LEU 812 CO 0.66 0.11 0.48 -0.65 0.09 0.00 0.00 178.44 179.13 1hwk h PRO 813 N 0.25 0.99 -0.06 1.13 0.11 -1.95 -1.04 132.00 131.43 1hwk h PRO 813 Ca 0.13 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 1hwk h PRO 813 Cb 0.09 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1hwk h PRO 813 CO -0.13 0.67 -0.50 -0.56 -0.21 0.00 0.00 178.00 177.27 1hwk h GLN 814 N 1.01 0.16 -0.06 1.05 -0.00 -1.74 -2.34 115.11 113.18 1hwk h GLN 814 Ca 0.27 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.78 1hwk h GLN 814 Cb -0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.39 1hwk h GLN 814 CO -0.06 0.63 -0.21 1.96 -0.00 0.00 0.00 178.83 181.15 1hwk h GLN 815 N 0.12 0.10 -0.53 0.06 4.20 -0.62 -1.56 115.11 116.89 1hwk h GLN 815 Ca 0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1hwk h GLN 815 Cb 0.94 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1hwk h GLN 815 CO 0.07 0.32 0.18 0.00 -0.67 0.00 0.00 178.83 178.73 1hwk h ALA 816 N 1.69 0.69 -0.25 3.87 0.00 -0.65 0.22 119.26 124.83 1hwk h ALA 816 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1hwk h ALA 816 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1hwk h ALA 816 CO 0.03 0.34 -0.30 0.00 0.00 0.00 0.00 179.25 179.32 1hwk h LEU 818 N 0.44 1.04 -0.95 0.00 3.38 -0.87 -2.90 115.31 115.45 1hwk h LEU 818 Ca 0.06 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1hwk h LEU 818 Cb 0.75 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1hwk h LEU 818 CO 0.06 1.18 0.27 1.56 0.09 0.00 0.00 178.44 181.60 1hwk h GLN 819 N 0.89 1.03 -0.67 1.13 4.20 -0.29 -1.20 115.11 120.20 1hwk h GLN 819 Ca 0.12 -0.18 0.16 0.00 0.06 0.00 0.00 58.65 58.82 1hwk h GLN 819 Cb 0.75 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1hwk h GLN 819 CO 0.06 0.85 0.46 1.98 -0.67 0.00 0.00 178.83 181.51 1hwk h MET 820 N 1.01 0.17 -0.01 1.46 4.05 -1.04 0.23 114.93 120.80 1hwk h MET 820 Ca 0.23 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1hwk h MET 820 Cb 0.20 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1hwk h MET 820 CO -0.02 0.11 -0.57 1.28 0.23 0.00 0.00 176.91 177.95 1hwk n LEU 821 N -4.41 1.21 -0.67 3.39 4.77 -0.56 -4.62 117.00 116.11 1hwk n LEU 821 Ca 0.13 -0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 55.63 1hwk n LEU 821 Cb 0.61 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1hwk n LEU 821 CO 0.35 0.25 -0.08 0.61 -1.33 0.00 0.00 177.39 177.20 1hwk n GLY 822 N 1.44 0.21 0.14 -0.72 0.00 0.79 -4.94 105.19 102.11 1hwk n GLY 822 Ca 0.08 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1hwk n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hwk n VAL 823 N -3.86 0.90 -2.14 1.61 0.24 -0.86 -5.01 118.33 109.20 1hwk n VAL 823 Ca -0.07 -1.03 -0.41 0.00 -2.04 0.00 0.00 64.34 60.79 1hwk n VAL 823 Cb 0.51 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.23 4.36 2.00 7.34 -0.44 -1.23 -4.75 119.66 125.69 1hwk s GLN 824 Ca 0.11 2.16 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 28.33 1hwk s GLN 824 CO 0.01 -0.26 0.00 0.41 0.50 0.00 0.00 175.29 175.95 1hwk n GLY 825 N 1.80 -0.85 3.78 2.59 0.00 -0.57 -4.85 105.19 107.09 1hwk n GLY 825 Ca 0.04 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.62 2.98 -0.54 4.61 0.00 -1.26 -4.67 121.76 121.26 1hwk s ALA 826 Ca 0.00 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 1hwk s ALA 826 Cb 0.00 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.88 1hwk s ALA 826 CO 0.00 -0.46 0.63 0.00 0.00 0.00 0.00 175.76 175.93 1hwk h LYS 828 N 9.05 -0.12 -0.20 0.00 5.09 -1.99 -2.94 116.57 125.46 1hwk h LYS 828 Ca -0.29 0.01 -0.17 0.00 0.09 0.00 0.00 60.65 60.29 1hwk h LYS 828 Cb 1.09 0.03 -0.00 0.00 0.10 0.00 0.00 32.23 33.45 1hwk h LYS 828 CO 1.02 -0.08 -0.57 -0.44 -2.09 0.00 0.00 179.45 177.29 1hwk h ASP 829 N -0.13 0.70 -2.75 7.07 3.32 -2.05 -3.41 116.42 119.18 1hwk h ASP 829 Ca 0.15 -0.38 -0.58 0.00 0.02 0.00 0.00 57.03 56.24 1hwk h ASP 829 Cb 0.36 -0.20 -0.39 0.00 0.22 0.00 0.00 39.33 39.31 1hwk h ASP 829 CO -0.36 1.12 -0.82 0.21 -1.72 0.00 0.00 179.24 177.66 1hwk s ASN 830 N -6.94 3.14 -0.01 6.45 2.47 -1.18 -5.12 114.94 113.75 1hwk s ASN 830 Ca -0.08 -2.17 -0.35 0.00 0.42 0.00 0.00 52.86 50.68 1hwk s ASN 830 Cb 0.11 -0.50 -0.14 0.00 -1.45 0.00 0.00 41.25 39.28 1hwk s ASN 830 CO 0.85 -0.32 1.69 -2.65 -3.72 0.00 0.00 177.10 172.96 1hwk n PRO 831 N 4.08 1.88 0.00 0.43 -0.02 -1.12 -1.84 135.00 138.42 1hwk n PRO 831 Ca 0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1hwk n PRO 831 Cb 0.37 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.79 2.94 0.25 -1.23 0.00 -1.25 -4.78 105.19 104.91 1hwk n GLY 832 Ca 0.21 0.00 0.04 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 2.91 0.22 -0.21 1.61 4.57 -1.68 -0.45 114.58 121.55 1hwk h GLU 833 Ca 0.00 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1hwk h GLU 833 Cb 0.00 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1hwk h GLU 833 CO 0.00 0.29 -0.20 -0.91 -1.18 0.00 0.00 179.01 177.01 1hwk h ASN 834 N 0.22 0.54 -0.73 1.04 2.35 -1.88 -1.02 115.58 116.09 1hwk h ASN 834 Ca 0.05 -0.47 -0.06 0.00 -0.55 0.00 0.00 56.30 55.27 1hwk h ASN 834 Cb 0.24 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1hwk h ASN 834 CO 0.01 0.90 0.21 0.00 -1.65 0.00 0.00 177.43 176.89 1hwk h ALA 835 N 0.66 0.96 -0.60 -0.83 0.00 -1.73 -0.28 119.26 117.44 1hwk h ALA 835 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1hwk h ALA 835 Cb 0.74 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1hwk h ALA 835 CO 0.05 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.08 1hwk h ARG 836 N 1.09 0.97 -0.63 0.00 3.08 -1.05 -1.62 114.38 116.22 1hwk h ARG 836 Ca 0.23 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1hwk h ARG 836 Cb 0.34 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1hwk h ARG 836 CO -0.00 0.90 0.27 0.37 -1.07 0.00 0.00 179.97 180.44 1hwk h GLN 837 N 0.88 0.92 -0.57 0.04 5.75 -0.78 -1.67 115.11 119.69 1hwk h GLN 837 Ca 0.19 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1hwk h GLN 837 Cb 0.38 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1hwk h GLN 837 CO 0.01 0.77 0.15 1.25 -2.65 0.00 0.00 178.83 178.35 1hwk h LEU 838 N 0.87 0.81 -0.79 -2.39 5.85 -0.76 -1.63 115.31 117.27 1hwk h LEU 838 Ca 0.21 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1hwk h LEU 838 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1hwk h LEU 838 CO -0.02 0.78 -0.06 0.00 -0.34 0.00 0.00 178.44 178.80 1hwk h ALA 839 N 1.32 0.98 -0.61 1.25 0.00 -0.89 -1.08 119.26 120.24 1hwk h ALA 839 Ca 0.18 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1hwk h ALA 839 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1hwk h ALA 839 CO -0.00 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.95 1hwk h ARG 840 N 0.78 1.01 -0.76 0.00 3.08 -0.98 -1.34 114.38 116.18 1hwk h ARG 840 Ca 0.14 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1hwk h ARG 840 Cb 0.55 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1hwk h ARG 840 CO 0.03 0.95 0.27 0.82 -1.07 0.00 0.00 179.97 180.98 1hwk h ILE 841 N 0.91 1.26 -0.17 2.04 2.04 -0.88 -0.16 117.51 122.56 1hwk h ILE 841 Ca 0.18 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1hwk h ILE 841 Cb 0.44 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1hwk h ILE 841 CO 0.01 0.35 0.07 0.58 0.00 0.00 0.00 178.15 179.16 1hwk h VAL 842 N 1.12 1.14 -0.51 1.67 2.07 -0.98 0.98 116.25 121.74 1hwk h VAL 842 Ca 0.25 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1hwk h VAL 842 Cb 0.26 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1hwk h VAL 842 CO -0.01 0.14 0.14 0.00 0.02 0.00 0.00 177.57 177.85 1hwk h GLY 844 N 0.93 0.91 1.70 0.00 0.00 -0.79 -1.91 103.07 103.92 1hwk h GLY 844 Ca 0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.45 1hwk h GLY 844 CO -0.00 0.85 -0.40 -0.84 0.00 0.00 0.00 176.54 176.15 1hwk h THR 845 N 0.62 1.30 -0.43 4.70 2.02 -0.47 -1.63 112.91 119.03 1hwk h THR 845 Ca 0.05 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 1hwk h THR 845 Cb 0.93 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1hwk h THR 845 CO 0.09 0.46 0.19 0.58 0.37 0.00 0.00 175.52 177.20 1hwk h VAL 846 N 0.28 1.19 -0.80 3.16 2.07 -0.93 0.64 116.25 121.86 1hwk h VAL 846 Ca 0.03 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1hwk h VAL 846 Cb 0.82 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1hwk h VAL 846 CO 0.07 0.21 0.46 -0.03 0.02 0.00 0.00 177.57 178.29 1hwk h MET 847 N 0.55 1.10 -0.76 1.57 -1.53 -1.04 0.22 114.93 115.04 1hwk h MET 847 Ca 0.14 -0.11 -0.00 0.00 -3.44 0.00 0.00 59.70 56.29 1hwk h MET 847 Cb 0.15 -0.22 -0.04 0.00 -0.55 0.00 0.00 31.60 30.94 1hwk h MET 847 CO -0.02 0.79 0.47 0.00 0.14 0.00 0.00 176.91 178.30 1hwk h ALA 848 N 1.24 0.97 -0.46 0.39 0.00 -0.78 -0.14 119.26 120.48 1hwk h ALA 848 Ca 0.28 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1hwk h ALA 848 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1hwk h ALA 848 CO -0.05 0.42 -0.14 0.78 0.00 0.00 0.00 179.25 180.26 1hwk h GLY 849 N 1.04 0.94 0.91 0.00 0.00 -0.02 -2.59 103.07 103.35 1hwk h GLY 849 Ca 0.27 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1hwk h GLY 849 CO -0.05 0.69 0.07 0.83 0.00 0.00 0.00 176.54 178.08 1hwk h GLU 850 N 0.77 0.56 -0.26 4.80 4.39 -0.08 -2.19 114.58 122.56 1hwk h GLU 850 Ca 0.12 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.72 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 0.62 0.04 1.25 -1.16 0.00 0.00 179.01 179.80 1hwk h LEU 851 N 0.40 -0.02 0.06 1.33 5.85 -0.94 -0.89 115.31 121.10 1hwk h LEU 851 Ca 0.11 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1hwk h LEU 851 Cb 0.32 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1hwk h LEU 851 CO 0.00 0.03 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.82 1hwk h SER 852 N 0.13 -0.07 -0.74 1.25 0.87 -1.42 -1.65 113.55 111.93 1hwk h SER 852 Ca 0.12 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 1hwk h SER 852 Cb 0.13 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1hwk h SER 852 CO -0.17 0.31 0.36 0.25 -0.53 0.00 0.00 176.83 177.06 1hwk h LEU 853 N -0.46 0.96 -1.03 2.23 5.85 -1.42 -1.15 115.31 120.29 1hwk h LEU 853 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1hwk h LEU 853 Cb 0.41 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1hwk h LEU 853 CO 0.01 0.82 0.40 0.24 -0.34 0.00 0.00 178.44 179.57 1hwk h MET 854 N 1.03 1.08 -0.51 1.25 2.86 -1.13 -0.77 114.93 118.74 1hwk h MET 854 Ca 0.25 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1hwk h MET 854 Cb 0.11 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1hwk h MET 854 CO -0.03 0.81 0.03 0.00 1.06 0.00 0.00 176.91 178.78 1hwk h ALA 855 N 1.35 0.69 -0.60 6.32 0.00 -0.79 0.61 119.26 126.84 1hwk h ALA 855 Ca 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1hwk h ALA 855 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1hwk h ALA 855 CO -0.04 0.47 0.23 0.00 0.00 0.00 0.00 179.25 179.91 1hwk h ALA 856 N 0.95 1.26 -0.19 0.00 0.00 -0.73 0.26 119.26 120.83 1hwk h ALA 856 Ca 0.15 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1hwk h ALA 856 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1hwk h ALA 856 CO 0.02 0.54 -0.63 -0.07 0.00 0.00 0.00 179.25 179.10 1hwk h LEU 857 N 0.87 0.77 -0.46 0.00 3.38 -0.86 -0.67 115.31 118.34 1hwk h LEU 857 Ca 0.20 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1hwk h LEU 857 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1hwk h LEU 857 CO -0.02 1.21 0.09 0.00 0.09 0.00 0.00 178.44 179.82 1hwk h ALA 858 N 0.79 0.61 -0.07 1.53 0.00 -0.18 -3.19 119.26 118.75 1hwk h ALA 858 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1hwk h ALA 858 Cb 1.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1hwk h ALA 858 CO 0.13 0.31 -0.81 0.00 0.00 0.00 0.00 179.25 178.87 1hwk h ALA 859 N 0.96 0.45 0.00 0.00 0.00 -0.49 -3.49 119.26 116.70 1hwk h ALA 859 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1hwk h ALA 859 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hwk h ALA 859 CO 0.01 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42