#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwk n ASP 464 N 0.00 2.18 0.00 4.04 9.92 -1.26 -3.57 116.55 127.86 1hwk n ASP 464 Ca 0.00 -2.61 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 1hwk n ASP 464 Cb 0.00 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.08 1hwk n ASP 464 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hwk n ALA 465 N 13.47 0.00 0.98 2.24 0.00 -1.26 -4.96 120.51 130.98 1hwk n ALA 465 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1hwk n ALA 465 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1hwk n ALA 465 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hwk n GLU 466 N -1.02 0.98 -0.04 0.00 -0.58 -1.23 -2.54 120.64 116.20 1hwk n GLU 466 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1hwk n GLU 466 Cb 0.00 -1.09 -0.15 0.00 -0.57 0.00 0.00 31.44 29.63 1hwk n GLU 466 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1hwk n ILE 467 N 0.43 0.82 0.13 -3.67 5.41 -1.26 -3.89 119.36 117.32 1hwk n ILE 467 Ca 0.00 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 63.06 1hwk n ILE 467 Cb 0.45 -0.33 0.29 0.00 -0.71 0.00 0.00 39.64 39.35 1hwk n ILE 467 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1hwk h ILE 468 N 0.00 1.27 0.00 1.39 2.04 -1.84 -3.54 117.51 116.83 1hwk h ILE 468 Ca -0.27 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1hwk h ILE 468 Cb 1.65 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1hwk h ILE 468 CO 0.02 0.39 0.00 1.67 0.00 0.00 0.00 178.15 180.23 1hwk n GLN 469 N -4.09 0.54 0.00 2.37 -0.06 -1.25 -5.19 117.38 109.69 1hwk n GLN 469 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1hwk n GLN 469 Cb 0.42 -1.02 0.00 0.00 -4.06 0.00 0.00 30.24 25.58 1hwk n GLN 469 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1hwk n LEU 481 N -0.45 0.00 0.00 1.69 4.77 -1.26 -5.15 117.00 116.60 1hwk n LEU 481 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1hwk n LEU 481 Cb 0.01 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 41.86 1hwk n LEU 481 CO 0.00 0.00 1.01 -0.62 -1.33 0.00 0.00 177.39 176.45 1hwk n GLU 482 N -0.75 0.51 -0.00 3.23 4.71 -1.26 -1.58 120.64 125.49 1hwk n GLU 482 Ca 0.00 0.01 -0.10 0.00 -0.01 0.00 0.00 57.16 57.06 1hwk n GLU 482 Cb 0.00 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.79 1hwk n GLU 482 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1hwk h THR 483 N 0.00 0.98 0.00 2.62 2.02 -1.99 -3.43 112.91 113.12 1hwk h THR 483 Ca 0.00 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.39 1hwk h THR 483 Cb 0.22 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1hwk h THR 483 CO 0.00 0.62 -0.15 0.18 0.37 0.00 0.00 175.52 176.54 1hwk n LEU 484 N -3.15 0.30 -4.44 2.58 4.77 -1.10 -5.04 117.00 110.91 1hwk n LEU 484 Ca -0.15 0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 1hwk n LEU 484 Cb 1.03 -0.54 0.26 0.00 -2.33 0.00 0.00 43.42 41.85 1hwk n LEU 484 CO 0.46 -0.47 0.49 -0.63 -1.33 0.00 0.00 177.39 175.91 1hwk s ILE 485 N -1.29 1.68 0.00 -0.08 1.01 -0.62 -5.06 121.20 116.85 1hwk s ILE 485 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1hwk s ILE 485 Cb 0.01 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1hwk s ILE 485 CO 0.06 0.00 0.00 -0.62 0.00 0.00 0.00 174.94 174.38 1hwk n GLU 486 N -5.14 0.00 -1.74 2.79 1.02 -1.26 -4.76 120.64 111.56 1hwk n GLU 486 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1hwk n GLU 486 Cb 0.57 -0.30 0.01 0.00 -0.02 0.00 0.00 31.44 31.70 1hwk n GLU 486 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1hwk n THR 487 N -0.69 2.35 -0.04 2.62 -1.04 -1.26 -4.94 114.28 111.28 1hwk n THR 487 Ca 0.00 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.37 1hwk n THR 487 Cb 0.00 -1.76 -0.08 0.00 -1.82 0.00 0.00 70.33 66.67 1hwk n THR 487 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1hwk h HIS 488 N 2.48 0.46 0.00 -1.42 3.86 -1.97 -3.07 115.15 115.50 1hwk h HIS 488 Ca -0.49 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 58.53 1hwk h HIS 488 Cb 1.27 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.66 1hwk h HIS 488 CO 0.50 0.87 -0.04 1.49 0.86 0.00 0.00 177.93 181.62 1hwk h GLU 489 N -0.08 0.00 -0.04 2.45 4.81 -1.92 -2.29 114.58 117.50 1hwk h GLU 489 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1hwk h GLU 489 Cb 0.87 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1hwk h GLU 489 CO 0.06 0.04 -0.72 -0.09 -0.73 0.00 0.00 179.01 177.57 1hwk h ARG 490 N 0.00 0.56 -0.35 1.92 2.43 -1.94 -2.58 114.38 114.42 1hwk h ARG 490 Ca -0.00 -0.55 0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1hwk h ARG 490 Cb 0.10 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1hwk h ARG 490 CO 0.01 1.17 0.24 0.78 -1.51 0.00 0.00 179.97 180.65 1hwk h GLY 491 N 0.16 0.44 0.74 2.80 0.00 -1.32 -0.42 103.07 105.47 1hwk h GLY 491 Ca -0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1hwk h GLY 491 CO 0.14 0.14 -0.24 -2.08 0.00 0.00 0.00 176.54 174.50 1hwk h VAL 492 N 0.40 1.38 -0.46 4.60 2.07 -1.51 -0.66 116.25 122.07 1hwk h VAL 492 Ca 0.14 -1.51 0.07 0.00 0.82 0.00 0.00 66.70 66.21 1hwk h VAL 492 Cb 0.07 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 1hwk h VAL 492 CO -0.03 0.44 0.14 -1.28 0.02 0.00 0.00 177.57 176.86 1hwk h SER 493 N -0.04 0.11 -0.53 0.57 0.87 -0.94 0.36 113.55 113.96 1hwk h SER 493 Ca 0.00 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1hwk h SER 493 Cb 0.83 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1hwk h SER 493 CO 0.05 0.09 0.08 0.40 -0.53 0.00 0.00 176.83 176.92 1hwk h ILE 494 N 0.29 1.25 -0.85 2.23 2.04 -1.08 0.25 117.51 121.65 1hwk h ILE 494 Ca 0.22 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1hwk h ILE 494 Cb 0.25 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1hwk h ILE 494 CO -0.25 0.35 0.45 -0.09 0.00 0.00 0.00 178.15 178.61 1hwk h ARG 495 N 0.76 1.19 -0.23 2.37 2.43 -0.27 0.16 114.38 120.78 1hwk h ARG 495 Ca 0.16 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1hwk h ARG 495 Cb 0.42 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1hwk h ARG 495 CO 0.01 0.88 -0.20 0.00 -1.51 0.00 0.00 179.97 179.15 1hwk h ARG 496 N 1.19 0.40 -0.17 0.20 3.08 0.15 -1.12 114.38 118.12 1hwk h ARG 496 Ca 0.30 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1hwk h ARG 496 Cb 0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1hwk h ARG 496 CO -0.05 0.59 -0.14 1.96 -1.07 0.00 0.00 179.97 181.27 1hwk h GLN 497 N 0.37 0.39 -0.21 0.04 4.20 0.48 -0.56 115.11 119.81 1hwk h GLN 497 Ca 0.06 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.59 1hwk h GLN 497 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1hwk h GLN 497 CO 0.04 0.74 0.10 -0.07 -0.67 0.00 0.00 178.83 178.97 1hwk h LEU 498 N 0.05 0.15 -1.29 1.46 3.38 -0.54 -2.19 115.31 116.33 1hwk h LEU 498 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1hwk h LEU 498 Cb 0.65 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1hwk h LEU 498 CO 0.04 0.11 0.16 0.25 0.09 0.00 0.00 178.44 179.09 1hwk h LEU 499 N 0.22 0.58 -0.83 1.67 5.85 -1.19 -3.00 115.31 118.61 1hwk h LEU 499 Ca 0.09 -0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1hwk h LEU 499 Cb 0.03 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 40.80 1hwk h LEU 499 CO -0.07 0.55 0.36 -1.28 -0.34 0.00 0.00 178.44 177.66 1hwk h SER 500 N 0.64 0.34 0.60 1.25 0.87 -0.42 -1.11 113.55 115.71 1hwk h SER 500 Ca 0.15 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1hwk h SER 500 Cb 0.17 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1hwk h SER 500 CO -0.01 0.09 0.00 0.11 -0.53 0.00 0.00 176.83 176.49 1hwk h LYS 501 N 0.46 0.00 -0.58 2.24 1.57 -1.51 -2.75 116.57 116.01 1hwk h LYS 501 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1hwk h LYS 501 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1hwk h LYS 501 CO -0.44 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.07 1hwk n LYS 502 N -2.46 2.64 -4.14 3.15 5.02 -0.42 -4.98 118.16 116.96 1hwk n LYS 502 Ca 0.01 -2.46 -0.34 0.00 -2.02 0.00 0.00 58.31 53.50 1hwk n LYS 502 Cb 0.20 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1hwk n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hwk s LEU 503 N -1.12 3.86 0.35 -0.35 1.43 -1.04 -4.99 118.68 116.81 1hwk s LEU 503 Ca 0.42 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1hwk s LEU 503 Cb 0.23 -2.15 0.66 0.00 0.03 0.00 0.00 46.19 44.95 1hwk s LEU 503 CO 0.30 0.31 1.89 -1.28 0.23 0.00 0.00 176.35 177.79 1hwk h SER 504 N 4.39 0.41 -3.29 2.29 0.87 -1.94 -3.28 113.55 113.01 1hwk h SER 504 Ca -0.50 -0.08 -0.62 0.00 -1.23 0.00 0.00 61.79 59.37 1hwk h SER 504 Cb 1.19 -0.11 -0.41 0.00 -0.44 0.00 0.00 62.40 62.63 1hwk h SER 504 CO 0.60 0.51 -0.70 -1.61 -0.53 0.00 0.00 176.83 175.10 1hwk s GLU 505 N -4.89 1.79 0.62 2.24 2.02 -1.26 -4.98 118.70 114.23 1hwk s GLU 505 Ca -0.07 -2.64 0.35 0.00 0.02 0.00 0.00 54.97 52.63 1hwk s GLU 505 Cb 0.15 -2.75 2.00 0.00 0.10 0.00 0.00 34.13 33.63 1hwk s GLU 505 CO 0.76 -1.24 2.25 -1.00 0.02 0.00 0.00 175.26 176.04 1hwk h PRO 506 N 5.99 0.00 0.00 0.39 0.13 -1.78 -2.18 132.00 134.55 1hwk h PRO 506 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1hwk h PRO 506 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1hwk h PRO 506 CO 0.59 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.23 1hwk n SER 507 N -3.50 0.35 -0.34 1.44 3.41 -1.26 -3.96 113.62 109.76 1hwk n SER 507 Ca -0.02 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1hwk n SER 507 Cb 0.14 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.00 0.78 0.05 4.04 4.64 -1.83 -1.70 113.55 119.53 1hwk h SER 508 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1hwk h SER 508 Cb 0.59 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1hwk h SER 508 CO 0.00 0.34 0.00 0.18 -0.87 0.00 0.00 176.83 176.48 1hwk n LEU 509 N -4.74 0.00 0.14 5.97 4.32 -1.25 -2.90 117.00 118.54 1hwk n LEU 509 Ca 0.20 0.31 -0.00 0.00 -0.02 0.00 0.00 56.01 56.50 1hwk n LEU 509 Cb 0.46 -0.31 0.27 0.00 -1.62 0.00 0.00 43.42 42.22 1hwk n LEU 509 CO 0.23 -0.28 0.64 1.56 -1.22 0.00 0.00 177.39 178.32 1hwk h GLN 510 N 0.00 0.08 -0.18 3.23 4.20 -1.60 -2.90 115.11 117.94 1hwk h GLN 510 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1hwk h GLN 510 Cb 0.02 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1hwk h GLN 510 CO 0.00 0.52 0.00 0.66 -0.67 0.00 0.00 178.83 179.34 1hwk n TYR 511 N -4.00 0.22 -3.15 2.96 4.02 -1.14 -4.78 117.16 111.29 1hwk n TYR 511 Ca -0.02 -0.11 -0.43 0.00 -0.01 0.00 0.00 57.90 57.33 1hwk n TYR 511 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.72 4.72 0.87 7.72 2.96 -1.10 -5.05 118.68 127.08 1hwk s LEU 512 Ca 0.34 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 1hwk s LEU 512 Cb 0.20 -2.57 0.12 0.00 0.50 0.00 0.00 46.19 44.44 1hwk s LEU 512 CO 0.30 -0.81 1.16 -2.84 -1.32 0.00 0.00 176.35 172.84 1hwk s PRO 513 N 2.69 1.27 0.00 0.98 0.02 -1.26 -4.85 135.00 133.85 1hwk s PRO 513 Ca 0.18 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1hwk s PRO 513 Cb -0.16 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1hwk s PRO 513 CO 0.15 -2.45 0.00 2.48 -0.33 0.00 0.00 177.00 176.85 1hwk n TYR 514 N -3.91 0.00 -2.39 6.54 0.18 -1.26 -1.65 117.16 114.67 1hwk n TYR 514 Ca 0.12 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.57 1hwk n TYR 514 Cb 0.52 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.45 1hwk n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1hwk s ARG 515 N -0.45 3.68 -1.29 -3.48 0.52 -1.26 -4.19 118.95 112.48 1hwk s ARG 515 Ca 0.00 1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 56.44 1hwk s ARG 515 Cb 0.00 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.40 1hwk s ARG 515 CO 0.00 -0.52 0.99 -0.25 0.02 0.00 0.00 175.30 175.54 1hwk n ASP 516 N -1.34 -3.23 -3.93 0.23 8.00 -1.26 -5.01 116.55 110.02 1hwk n ASP 516 Ca 0.09 -0.66 -0.19 0.00 0.71 0.00 0.00 54.79 54.74 1hwk n ASP 516 Cb 0.53 -4.77 -0.16 0.00 -0.02 0.00 0.00 41.12 36.70 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 -3.41 0.70 -0.93 1.24 5.04 -1.26 -5.08 117.35 113.66 1hwk s TYR 517 Ca 0.21 -0.17 -0.24 0.00 -2.44 0.00 0.00 57.07 54.43 1hwk s TYR 517 Cb -0.10 -0.57 0.02 0.00 0.35 0.00 0.00 41.96 41.66 1hwk s TYR 517 CO 0.76 -0.12 1.56 1.21 -1.34 0.00 0.00 175.55 177.61 1hwk s ASN 518 N 0.52 6.07 0.00 4.32 2.47 -1.26 -4.80 114.94 122.26 1hwk s ASN 518 Ca -0.07 -1.01 0.25 0.00 0.42 0.00 0.00 52.86 52.45 1hwk s ASN 518 Cb -0.10 -2.56 1.13 0.00 -1.45 0.00 0.00 41.25 38.27 1hwk s ASN 518 CO 0.00 -1.89 1.82 -1.22 -3.72 0.00 0.00 177.10 172.09 1hwk n TYR 519 N 10.35 0.00 -0.24 0.43 4.02 -1.26 -3.76 117.16 126.70 1hwk n TYR 519 Ca 0.29 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.17 1hwk n TYR 519 Cb 0.50 -0.44 0.10 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.59 0.78 7.72 0.02 -1.92 0.84 113.55 121.57 1hwk h SER 520 Ca 0.00 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1hwk h SER 520 Cb 0.38 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1hwk h SER 520 CO 0.00 0.38 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.47 1hwk h LEU 521 N 0.72 0.00 0.00 5.07 3.38 -1.97 -3.32 115.31 119.19 1hwk h LEU 521 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1hwk h LEU 521 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1hwk h LEU 521 CO -0.17 0.53 -0.00 0.58 0.09 0.00 0.00 178.44 179.47 1hwk h VAL 522 N 0.00 1.55 -1.98 1.22 2.07 -1.58 -3.41 116.25 114.13 1hwk h VAL 522 Ca -0.01 -2.15 -0.63 0.00 0.82 0.00 0.00 66.70 64.73 1hwk h VAL 522 Cb 1.06 2.93 0.04 0.00 -1.52 0.00 0.00 31.29 33.80 1hwk h VAL 522 CO 0.07 0.52 0.84 0.23 0.02 0.00 0.00 177.57 179.25 1hwk n MET 523 N -4.64 1.82 -1.20 1.57 2.81 0.23 -0.87 117.12 116.83 1hwk n MET 523 Ca -0.09 0.66 -0.07 0.00 -1.81 0.00 0.00 57.70 56.39 1hwk n MET 523 Cb 0.41 -2.42 -0.03 0.00 -0.71 0.00 0.00 33.22 30.48 1hwk n MET 523 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hwk n GLY 524 N 3.65 0.91 0.43 3.03 0.00 -1.26 -4.79 105.19 107.16 1hwk n GLY 524 Ca 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1hwk n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwk n ALA 525 N 1.13 1.08 0.00 4.61 0.00 -0.28 -5.03 120.51 122.02 1hwk n ALA 525 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1hwk n ALA 525 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1hwk n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hwk s GLU 528 N -2.51 1.50 -1.56 0.00 8.01 -1.26 -4.43 118.70 118.45 1hwk s GLU 528 Ca -0.01 -1.76 -0.11 0.00 0.01 0.00 0.00 54.97 53.09 1hwk s GLU 528 Cb -0.01 -1.00 0.09 0.00 -4.31 0.00 0.00 34.13 28.90 1hwk s GLU 528 CO -0.04 -0.01 0.70 0.09 0.01 0.00 0.00 175.26 176.02 1hwk n ASN 529 N -0.55 -2.55 -4.71 -0.19 3.02 -1.26 -4.86 115.26 104.17 1hwk n ASN 529 Ca -0.05 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.12 1hwk n ASN 529 Cb 0.64 -3.11 -0.03 0.00 -0.61 0.00 0.00 39.78 36.67 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 -3.52 2.69 0.00 2.41 1.01 -1.26 -4.91 120.40 116.82 1hwk s VAL 530 Ca 0.46 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1hwk s VAL 530 Cb -0.25 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1hwk s VAL 530 CO 0.89 0.02 0.92 2.30 0.00 0.00 0.00 175.10 179.24 1hwk n ILE 531 N 4.19 0.85 -0.25 2.22 -5.35 -1.26 -4.71 119.36 115.04 1hwk n ILE 531 Ca 0.15 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1hwk n ILE 531 Cb 0.39 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 -0.42 0.58 3.16 3.28 0.00 -1.26 -4.82 105.19 105.70 1hwk n GLY 532 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.66 0.10 -0.29 1.61 -0.85 -0.66 -4.94 117.35 108.67 1hwk s TYR 533 Ca 0.00 -0.34 -0.06 0.00 -0.52 0.00 0.00 57.07 56.15 1hwk s TYR 533 Cb 0.00 -0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.28 1hwk s TYR 533 CO 0.00 -0.41 0.06 1.41 -1.52 0.00 0.00 175.55 175.09 1hwk s MET 534 N -2.56 3.11 -0.10 -3.49 -2.45 -1.26 -4.14 119.30 108.42 1hwk s MET 534 Ca -0.05 -0.84 -0.30 0.00 -1.25 0.00 0.00 55.69 53.26 1hwk s MET 534 Cb -0.01 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.73 1hwk s MET 534 CO -0.04 -0.41 1.07 -2.14 1.05 0.00 0.00 175.02 174.55 1hwk s PRO 535 N 1.49 4.39 -0.21 4.11 0.02 -1.26 -5.03 135.00 138.51 1hwk s PRO 535 Ca 0.03 1.48 -0.03 0.00 0.02 0.00 0.00 61.00 62.50 1hwk s PRO 535 Cb -0.17 -3.55 -0.01 0.00 0.02 0.00 0.00 34.50 30.79 1hwk s PRO 535 CO 0.02 -0.38 -0.07 0.42 -0.33 0.00 0.00 177.00 176.66 1hwk s ILE 536 N 2.15 3.18 0.24 2.83 -1.09 -1.26 -5.08 121.20 122.17 1hwk s ILE 536 Ca 0.51 -0.56 -0.31 0.00 -2.23 0.00 0.00 60.65 58.06 1hwk s ILE 536 Cb -0.20 -2.43 -0.14 0.00 -1.58 0.00 0.00 42.46 38.11 1hwk s ILE 536 CO 0.19 0.45 1.33 -2.65 -1.23 0.00 0.00 174.94 173.02 1hwk n PRO 537 N 4.67 1.84 -4.01 2.79 -0.02 -1.26 -4.76 135.00 134.25 1hwk n PRO 537 Ca -0.19 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1hwk n PRO 537 Cb 0.51 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.23 3.13 0.38 -1.45 1.01 -1.26 -1.54 120.40 120.44 1hwk s VAL 538 Ca 0.67 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1hwk s VAL 538 Cb -0.68 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1hwk s VAL 538 CO 0.52 0.45 0.18 -0.83 0.00 0.00 0.00 175.10 175.42 1hwk s GLY 539 N 1.35 2.16 -0.05 4.51 0.00 0.25 -4.91 107.32 110.63 1hwk s GLY 539 Ca 0.04 -1.98 0.05 0.00 0.00 0.00 0.00 44.72 42.83 1hwk s GLY 539 CO -0.04 -1.83 -0.19 0.54 0.00 0.00 0.00 173.10 171.58 1hwk s VAL 540 N -2.52 1.57 -0.10 1.40 0.11 -1.26 -0.56 120.40 119.04 1hwk s VAL 540 Ca 0.41 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1hwk s VAL 540 Cb 0.01 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 1hwk s VAL 540 CO 0.23 0.45 -0.21 0.00 -3.33 0.00 0.00 175.10 172.24 1hwk s ALA 541 N -0.00 1.97 0.00 1.54 0.00 -0.33 -4.94 121.76 120.00 1hwk s ALA 541 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1hwk s ALA 541 Cb -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1hwk s ALA 541 CO 0.03 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1hwk n GLY 542 N 3.65 -2.36 3.78 0.00 0.00 -1.26 -0.90 105.19 108.09 1hwk n GLY 542 Ca -0.20 -1.33 -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 -1.97 3.95 -0.38 1.61 0.04 -1.26 -4.93 135.00 132.05 1hwk s PRO 543 Ca 0.00 1.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1hwk s PRO 543 Cb 0.00 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.07 1hwk s PRO 543 CO 0.00 -0.36 0.27 -1.17 0.04 0.00 0.00 177.00 175.78 1hwk s LEU 544 N -2.83 4.87 -0.62 -3.56 2.96 0.82 -4.65 118.68 115.67 1hwk s LEU 544 Ca 0.61 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 53.55 1hwk s LEU 544 Cb -0.26 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.35 1hwk s LEU 544 CO 0.32 -0.37 0.97 0.00 -1.32 0.00 0.00 176.35 175.95 1hwk s LEU 546 N 4.11 1.29 -1.49 0.00 2.96 -0.64 -0.35 118.68 124.55 1hwk s LEU 546 Ca 0.26 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 1hwk s LEU 546 Cb -0.15 -0.66 0.06 0.00 0.50 0.00 0.00 46.19 45.94 1hwk s LEU 546 CO 0.14 -0.06 0.75 0.47 -1.32 0.00 0.00 176.35 176.32 1hwk n ASP 547 N 4.36 -2.66 -1.44 3.68 8.00 0.77 -1.79 116.55 127.47 1hwk n ASP 547 Ca -0.19 -0.89 -0.16 0.00 0.71 0.00 0.00 54.79 54.26 1hwk n ASP 547 Cb 0.51 -3.48 -0.05 0.00 -0.02 0.00 0.00 41.12 38.08 1hwk n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hwk n GLU 548 N -4.47 -1.18 -4.42 -1.24 1.02 -1.26 -4.99 120.64 104.10 1hwk n GLU 548 Ca -0.11 0.98 -0.21 0.00 -0.02 0.00 0.00 57.16 57.80 1hwk n GLU 548 Cb 0.59 -5.23 -0.10 0.00 -0.02 0.00 0.00 31.44 26.67 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 -3.85 1.53 -0.11 3.49 1.02 -0.74 -5.15 119.74 115.94 1hwk s LYS 549 Ca 0.00 -1.79 0.02 0.00 0.02 0.00 0.00 55.97 54.22 1hwk s LYS 549 Cb 0.00 -1.00 0.01 0.00 -0.52 0.00 0.00 37.83 36.32 1hwk s LYS 549 CO 0.00 -0.03 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.02 1hwk s GLU 550 N -3.79 2.33 -0.00 1.68 2.02 -1.26 -1.62 118.70 118.07 1hwk s GLU 550 Ca 0.31 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.76 1hwk s GLU 550 Cb 0.05 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1hwk s GLU 550 CO 0.12 -0.03 -0.22 -0.06 0.02 0.00 0.00 175.26 175.10 1hwk s PHE 551 N 0.88 2.46 -0.40 1.61 0.40 -0.32 -4.88 117.98 117.73 1hwk s PHE 551 Ca -0.09 -0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 55.83 1hwk s PHE 551 Cb -0.15 -1.50 0.07 0.00 0.51 0.00 0.00 43.02 41.95 1hwk s PHE 551 CO -0.00 0.11 0.21 -0.65 0.70 0.00 0.00 175.22 175.59 1hwk s GLN 552 N -0.94 2.55 -0.34 0.44 -1.52 -1.26 -0.12 119.66 118.47 1hwk s GLN 552 Ca 0.12 -1.42 -0.21 0.00 -1.95 0.00 0.00 55.36 51.89 1hwk s GLN 552 Cb -0.10 -3.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.01 1hwk s GLN 552 CO 0.01 -0.89 0.69 0.08 -0.25 0.00 0.00 175.29 174.93 1hwk s VAL 553 N 1.39 4.85 0.10 1.09 1.01 -0.08 -4.61 120.40 124.14 1hwk s VAL 553 Ca 0.02 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1hwk s VAL 553 Cb -0.22 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1hwk s VAL 553 CO 0.02 -0.29 1.04 -2.16 0.00 0.00 0.00 175.10 173.71 1hwk s PRO 554 N 2.81 4.60 -0.15 2.72 0.04 -1.26 -1.18 135.00 142.57 1hwk s PRO 554 Ca 0.27 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1hwk s PRO 554 Cb -0.14 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 31.08 1hwk s PRO 554 CO 0.14 0.04 0.02 -1.64 0.04 0.00 0.00 177.00 175.60 1hwk s MET 555 N 0.30 0.68 -0.42 4.56 -1.94 0.27 -4.38 119.30 118.38 1hwk s MET 555 Ca 0.51 -0.26 -0.20 0.00 -1.71 0.00 0.00 55.69 54.02 1hwk s MET 555 Cb -0.25 -1.76 0.02 0.00 2.01 0.00 0.00 34.83 34.84 1hwk s MET 555 CO 0.31 -0.53 0.60 0.00 -0.01 0.00 0.00 175.02 175.39 1hwk s ALA 556 N 1.88 3.38 0.17 3.03 0.00 -0.39 -0.58 121.76 129.26 1hwk s ALA 556 Ca 0.01 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1hwk s ALA 556 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1hwk s ALA 556 CO -0.07 -1.65 0.46 -0.08 0.00 0.00 0.00 175.76 174.42 1hwk s THR 557 N 2.66 0.04 -0.02 0.00 -1.32 -0.59 -4.26 115.64 112.15 1hwk s THR 557 Ca 0.21 -0.77 0.03 0.00 -1.21 0.00 0.00 61.69 59.95 1hwk s THR 557 Cb -0.15 -1.47 0.04 0.00 -1.51 0.00 0.00 72.50 69.41 1hwk s THR 557 CO 0.17 -0.19 0.96 0.35 -2.21 0.00 0.00 174.62 173.70 1hwk n THR 558 N -0.29 0.99 -3.25 5.08 -2.24 -1.26 -4.12 114.28 109.18 1hwk n THR 558 Ca -0.12 -1.04 -0.41 0.00 -2.27 0.00 0.00 64.05 60.21 1hwk n THR 558 Cb 0.63 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.13 3.60 0.39 -0.78 2.12 -1.26 -5.04 118.70 116.59 1hwk s GLU 559 Ca 0.05 -0.19 -0.28 0.00 0.36 0.00 0.00 54.97 54.91 1hwk s GLU 559 Cb 0.04 -3.82 -0.11 0.00 0.26 0.00 0.00 34.13 30.51 1hwk s GLU 559 CO 0.00 -0.65 1.49 0.41 -0.54 0.00 0.00 175.26 175.97 1hwk n GLY 560 N 4.81 1.20 3.26 -1.50 0.00 -1.26 -2.58 105.19 109.12 1hwk n GLY 560 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1hwk n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwk h LEU 562 N 0.00 -0.03 -0.45 0.00 5.85 -1.93 0.13 115.31 118.89 1hwk h LEU 562 Ca 0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1hwk h LEU 562 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1hwk h LEU 562 CO 0.00 0.18 0.19 0.58 -0.34 0.00 0.00 178.44 179.05 1hwk h VAL 563 N -0.23 1.20 -0.29 1.05 2.07 -1.91 -1.05 116.25 117.09 1hwk h VAL 563 Ca -0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1hwk h VAL 563 Cb 0.22 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1hwk h VAL 563 CO 0.01 0.22 0.19 0.00 0.02 0.00 0.00 177.57 178.01 1hwk h ALA 564 N 1.04 0.37 -0.50 1.67 0.00 -1.90 0.97 119.26 120.91 1hwk h ALA 564 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1hwk h ALA 564 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1hwk h ALA 564 CO -0.01 -0.16 0.17 1.03 0.00 0.00 0.00 179.25 180.28 1hwk h SER 565 N 0.40 0.72 -0.59 0.00 0.87 -0.65 -1.14 113.55 113.15 1hwk h SER 565 Ca 0.11 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1hwk h SER 565 Cb -0.04 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1hwk h SER 565 CO -0.02 0.72 0.16 0.74 -0.53 0.00 0.00 176.83 177.89 1hwk h THR 566 N 0.68 1.24 -0.55 2.23 2.02 -0.83 -2.05 112.91 115.65 1hwk h THR 566 Ca 0.16 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1hwk h THR 566 Cb 0.25 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1hwk h THR 566 CO -0.01 0.34 0.27 -1.13 0.37 0.00 0.00 175.52 175.36 1hwk h ASN 567 N 0.93 0.72 -0.99 4.18 -1.24 -0.50 -1.05 115.58 117.63 1hwk h ASN 567 Ca 0.20 -0.13 0.05 0.00 0.71 0.00 0.00 56.30 57.13 1hwk h ASN 567 Cb 0.32 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.13 1hwk h ASN 567 CO -0.00 0.64 0.65 -0.09 -1.29 0.00 0.00 177.43 177.34 1hwk h ARG 568 N 0.74 1.19 -0.69 6.67 2.43 -0.70 -0.85 114.38 123.17 1hwk h ARG 568 Ca 0.19 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1hwk h ARG 568 Cb 0.11 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1hwk h ARG 568 CO -0.02 0.78 0.13 0.78 -1.51 0.00 0.00 179.97 180.13 1hwk h GLY 569 N 1.22 1.21 1.01 2.80 0.00 -0.76 -2.12 103.07 106.44 1hwk h GLY 569 Ca 0.40 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1hwk h GLY 569 CO -0.14 0.74 0.58 0.00 0.00 0.00 0.00 176.54 177.72 1hwk h ARG 571 N 1.28 0.18 -0.81 0.00 9.65 -0.68 -0.51 114.38 123.48 1hwk h ARG 571 Ca 0.34 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.22 1hwk h ARG 571 Cb -0.09 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1hwk h ARG 571 CO -0.07 0.12 0.54 0.00 2.80 0.00 0.00 179.97 183.36 1hwk h ALA 572 N 1.08 1.43 -0.23 2.80 0.00 -1.18 -1.75 119.26 121.42 1hwk h ALA 572 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1hwk h ALA 572 Cb 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1hwk h ALA 572 CO -0.04 0.53 -0.25 0.82 0.00 0.00 0.00 179.25 180.30 1hwk h ILE 573 N 1.09 1.32 -0.69 0.00 2.04 -0.96 -2.70 117.51 117.61 1hwk h ILE 573 Ca 0.30 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1hwk h ILE 573 Cb -0.12 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1hwk h ILE 573 CO -0.07 0.44 0.45 1.23 0.00 0.00 0.00 178.15 180.21 1hwk h GLY 574 N 0.26 0.98 2.00 5.37 0.00 -0.73 -0.80 103.07 110.15 1hwk h GLY 574 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1hwk h GLY 574 CO 0.06 0.37 0.00 1.04 0.00 0.00 0.00 176.54 178.01 1hwk n LEU 575 N -4.59 0.41 -0.99 3.11 4.77 -0.69 -2.18 117.00 116.84 1hwk n LEU 575 Ca 0.06 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1hwk n LEU 575 Cb 0.02 -0.54 0.25 0.00 -2.33 0.00 0.00 43.42 40.82 1hwk n LEU 575 CO 0.36 -0.43 0.72 0.61 -1.33 0.00 0.00 177.39 177.31 1hwk n GLY 576 N 0.04 1.31 0.49 -0.72 0.00 -0.43 -4.87 105.19 101.00 1hwk n GLY 576 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1hwk n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwk n GLY 577 N 1.41 0.87 0.00 -0.02 0.00 -0.93 -4.69 105.19 101.83 1hwk n GLY 577 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.24 -1.31 3.63 -0.02 0.00 -0.47 -5.00 105.19 99.76 1hwk n GLY 578 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.78 3.10 0.06 4.61 0.00 0.52 -4.60 121.76 123.66 1hwk s ALA 579 Ca 0.00 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 50.66 1hwk s ALA 579 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1hwk s ALA 579 CO 0.00 0.49 -0.26 -1.12 0.00 0.00 0.00 175.76 174.88 1hwk s SER 580 N -2.84 3.26 0.05 0.00 0.01 -0.43 -0.16 113.70 113.58 1hwk s SER 580 Ca 0.26 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 1hwk s SER 580 Cb -0.09 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1hwk s SER 580 CO 0.17 0.25 0.04 -0.94 0.41 0.00 0.00 173.24 173.17 1hwk s SER 581 N -1.38 0.30 -0.04 2.44 1.04 -1.26 -0.81 113.70 113.98 1hwk s SER 581 Ca 0.12 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.81 1hwk s SER 581 Cb -0.10 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1hwk s SER 581 CO 0.03 -0.54 0.09 -0.13 0.98 0.00 0.00 173.24 173.67 1hwk s ARG 582 N -3.09 0.11 -0.25 4.02 1.81 -0.26 -5.00 118.95 116.29 1hwk s ARG 582 Ca -0.01 0.14 -0.19 0.00 -1.72 0.00 0.00 55.73 53.94 1hwk s ARG 582 Cb 0.02 0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1hwk s ARG 582 CO -0.07 -0.02 0.59 0.08 -0.68 0.00 0.00 175.30 175.20 1hwk s VAL 583 N 0.09 5.02 -0.06 3.52 1.01 -1.26 -1.77 120.40 126.95 1hwk s VAL 583 Ca -0.00 1.05 0.13 0.00 0.00 0.00 0.00 61.98 63.16 1hwk s VAL 583 Cb -0.01 -3.90 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 1hwk s VAL 583 CO -0.00 0.06 0.64 0.18 0.00 0.00 0.00 175.10 175.98 1hwk n LEU 584 N 5.57 0.82 -3.49 3.92 4.77 0.75 -5.00 117.00 124.35 1hwk n LEU 584 Ca -0.02 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1hwk n LEU 584 Cb 0.49 0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1hwk n LEU 584 CO 0.42 0.37 0.44 0.00 -1.33 0.00 0.00 177.39 177.29 1hwk s ALA 585 N -2.62 -1.72 -0.17 -1.18 0.00 -1.19 -4.96 121.76 109.91 1hwk s ALA 585 Ca -0.05 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1hwk s ALA 585 Cb 0.08 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.55 1hwk s ALA 585 CO 0.82 -0.50 0.23 0.34 0.00 0.00 0.00 175.76 176.66 1hwk s ASP 586 N -1.68 1.03 0.00 0.00 2.15 -1.25 -1.02 116.67 115.90 1hwk s ASP 586 Ca -0.07 0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.95 1hwk s ASP 586 Cb -0.00 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 1hwk s ASP 586 CO 0.03 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1hwk n GLY 587 N 5.33 0.12 3.81 2.66 0.00 0.68 -4.52 105.19 113.26 1hwk n GLY 587 Ca -0.05 0.73 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 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 3.42 0.26 1.61 1.75 -0.27 -0.32 119.30 125.76 1hwk s MET 588 Ca 0.00 1.14 0.04 0.00 -1.25 0.00 0.00 55.69 55.62 1hwk s MET 588 Cb 0.00 -2.05 -0.06 0.00 2.84 0.00 0.00 34.83 35.56 1hwk s MET 588 CO 0.00 -0.72 0.01 0.95 -0.65 0.00 0.00 175.02 174.61 1hwk s THR 589 N -2.52 1.12 -0.17 10.11 -4.23 -1.26 -1.04 115.64 117.65 1hwk s THR 589 Ca 0.62 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 1hwk s THR 589 Cb -0.15 -2.47 0.07 0.00 1.34 0.00 0.00 72.50 71.29 1hwk s THR 589 CO 0.37 -0.23 0.40 -0.60 -0.54 0.00 0.00 174.62 174.02 1hwk s ARG 590 N -3.86 0.36 -0.67 3.99 6.06 -0.78 -4.93 118.95 119.11 1hwk s ARG 590 Ca 0.31 0.84 0.05 0.00 -2.50 0.00 0.00 55.73 54.42 1hwk s ARG 590 Cb 0.06 0.06 0.17 0.00 0.06 0.00 0.00 34.95 35.29 1hwk s ARG 590 CO 0.11 -0.19 0.46 0.20 -2.50 0.00 0.00 175.30 173.39 1hwk s GLY 591 N 1.73 2.79 0.82 8.12 0.00 -1.26 -0.59 107.32 118.93 1hwk s GLY 591 Ca -0.07 -3.70 -0.10 0.00 0.00 0.00 0.00 44.72 40.84 1hwk s GLY 591 CO -0.12 1.14 1.11 2.56 0.00 0.00 0.00 173.10 177.79 1hwk s PRO 592 N -1.26 1.84 -0.15 2.90 0.04 -1.11 -0.21 135.00 137.05 1hwk s PRO 592 Ca 0.25 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.60 1hwk s PRO 592 Cb -0.06 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1hwk s PRO 592 CO -0.15 -1.98 -0.17 0.54 0.04 0.00 0.00 177.00 175.27 1hwk s VAL 593 N -2.80 2.47 0.28 -0.36 0.11 -0.71 -2.15 120.40 117.24 1hwk s VAL 593 Ca 0.63 -0.84 0.11 0.00 -2.93 0.00 0.00 61.98 58.96 1hwk s VAL 593 Cb -0.19 -2.03 -0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1hwk s VAL 593 CO 0.56 0.52 -0.18 0.68 -3.33 0.00 0.00 175.10 173.36 1hwk s VAL 594 N 0.83 2.33 0.02 2.04 -7.23 -0.66 -1.90 120.40 115.83 1hwk s VAL 594 Ca -0.05 -2.35 0.03 0.00 -1.81 0.00 0.00 61.98 57.79 1hwk s VAL 594 Cb -0.15 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1hwk s VAL 594 CO -0.01 -0.40 -0.09 0.00 -0.31 0.00 0.00 175.10 174.29 1hwk s ARG 595 N -3.55 0.64 0.33 4.82 1.70 0.27 -0.98 118.95 122.19 1hwk s ARG 595 Ca 0.29 -0.52 0.09 0.00 -0.47 0.00 0.00 55.73 55.12 1hwk s ARG 595 Cb -0.03 -0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 1hwk s ARG 595 CO 0.14 0.14 0.10 -0.51 -1.08 0.00 0.00 175.30 174.09 1hwk s LEU 596 N -0.81 3.21 0.25 -1.89 1.02 -0.48 -0.82 118.68 119.17 1hwk s LEU 596 Ca -0.01 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.30 1hwk s LEU 596 Cb -0.06 -1.67 0.35 0.00 0.02 0.00 0.00 46.19 44.83 1hwk s LEU 596 CO 0.00 -0.25 1.88 -0.65 0.02 0.00 0.00 176.35 177.35 1hwk h PRO 597 N 1.64 1.10 -4.88 1.29 0.11 -1.87 -3.45 132.00 125.93 1hwk h PRO 597 Ca -0.44 -0.07 -0.29 0.00 0.11 0.00 0.00 66.00 65.32 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 0.64 0.73 -0.72 1.03 -0.21 0.00 0.00 178.00 179.46 1hwk s ARG 598 N -6.06 0.88 0.46 1.05 1.81 -1.26 -4.98 118.95 110.84 1hwk s ARG 598 Ca -0.13 -1.26 0.12 0.00 -1.72 0.00 0.00 55.73 52.75 1hwk s ARG 598 Cb 0.19 -0.45 1.03 0.00 -0.45 0.00 0.00 34.95 35.27 1hwk s ARG 598 CO 0.81 0.05 2.05 0.00 -0.68 0.00 0.00 175.30 177.53 1hwk h ALA 599 N 3.24 1.78 0.00 2.13 0.00 -1.87 0.21 119.26 124.75 1hwk h ALA 599 Ca -0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1hwk h ALA 599 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1hwk h ALA 599 CO 0.58 0.17 -0.27 0.00 0.00 0.00 0.00 179.25 179.73 1hwk h ASP 601 N 0.00 0.68 -0.44 0.00 3.32 -1.39 -2.93 116.42 115.66 1hwk h ASP 601 Ca -0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 57.03 56.08 1hwk h ASP 601 Cb 0.50 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1hwk h ASP 601 CO 0.04 1.56 0.14 0.77 -1.72 0.00 0.00 179.24 180.03 1hwk h SER 602 N -0.09 0.69 -0.69 6.45 4.64 -1.16 -1.18 113.55 122.22 1hwk h SER 602 Ca -0.20 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1hwk h SER 602 Cb 1.91 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.79 1hwk h SER 602 CO 0.22 0.67 0.34 0.00 -0.87 0.00 0.00 176.83 177.18 1hwk h ALA 603 N 1.43 1.26 -0.45 5.18 0.00 -1.22 -0.22 119.26 125.24 1hwk h ALA 603 Ca 0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1hwk h ALA 603 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1hwk h ALA 603 CO -0.01 0.57 -0.21 1.49 0.00 0.00 0.00 179.25 181.09 1hwk h GLU 604 N 1.01 0.92 -0.48 0.00 4.81 -1.09 -1.49 114.58 118.26 1hwk h GLU 604 Ca 0.25 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1hwk h GLU 604 Cb 0.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1hwk h GLU 604 CO -0.03 1.04 -0.08 0.28 -0.73 0.00 0.00 179.01 179.49 1hwk h VAL 605 N 0.80 1.26 -0.22 0.32 2.07 -0.47 -1.85 116.25 118.16 1hwk h VAL 605 Ca 0.11 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1hwk h VAL 605 Cb 0.77 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1hwk h VAL 605 CO 0.06 0.40 0.11 0.50 0.02 0.00 0.00 177.57 178.66 1hwk h LYS 606 N 0.78 0.31 -0.43 1.57 3.64 -0.83 0.06 116.57 121.66 1hwk h LYS 606 Ca 0.13 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1hwk h LYS 606 Cb 0.57 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1hwk h LYS 606 CO 0.04 0.31 0.14 0.00 -2.27 0.00 0.00 179.45 177.66 1hwk h ALA 607 N 0.98 1.44 -0.18 5.00 0.00 -1.11 -2.11 119.26 123.29 1hwk h ALA 607 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1hwk h ALA 607 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1hwk h ALA 607 CO -0.01 0.42 -0.44 2.35 0.00 0.00 0.00 179.25 181.56 1hwk h TRP 608 N 0.61 0.79 0.00 0.00 7.01 -0.97 -2.90 115.95 120.50 1hwk h TRP 608 Ca 0.15 -0.30 -0.01 0.00 2.11 0.00 0.00 58.89 60.84 1hwk h TRP 608 Cb 0.18 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1hwk h TRP 608 CO 0.01 1.07 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.63 1hwk h LEU 609 N 0.29 0.00 -1.42 0.65 3.38 -0.56 -2.27 115.31 115.38 1hwk h LEU 609 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hwk h LEU 609 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1hwk h LEU 609 CO 0.10 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 1hwk n GLU 610 N -3.37 1.95 -3.09 1.13 1.02 -0.83 -4.14 120.64 113.32 1hwk n GLU 610 Ca -0.02 -1.41 -0.30 0.00 -0.02 0.00 0.00 57.16 55.41 1hwk n GLU 610 Cb 0.14 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.80 4.87 0.31 2.62 -4.23 -0.85 -4.99 115.64 111.57 1hwk s THR 611 Ca 0.34 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1hwk s THR 611 Cb 0.20 -3.71 0.20 0.00 1.34 0.00 0.00 72.50 70.52 1hwk s THR 611 CO 0.29 -0.39 1.91 0.77 -0.54 0.00 0.00 174.62 176.66 1hwk h SER 612 N 1.59 0.72 -0.29 3.99 4.64 -1.90 -2.17 113.55 120.13 1hwk h SER 612 Ca -0.47 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 60.64 1hwk h SER 612 Cb 1.19 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1hwk h SER 612 CO 0.65 0.64 -0.31 1.05 -0.87 0.00 0.00 176.83 177.99 1hwk h GLU 613 N 0.79 0.73 -0.91 4.77 9.09 -1.94 -1.92 114.58 125.19 1hwk h GLU 613 Ca 0.19 -0.39 -0.01 0.00 0.05 0.00 0.00 59.36 59.20 1hwk h GLU 613 Cb 0.14 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.22 1hwk h GLU 613 CO -0.02 1.01 0.52 0.78 0.05 0.00 0.00 179.01 181.35 1hwk h GLY 614 N 0.47 1.34 1.07 1.06 0.00 -1.65 -1.60 103.07 103.76 1hwk h GLY 614 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.66 1hwk h GLY 614 CO 0.08 0.56 -0.27 -2.75 0.00 0.00 0.00 176.54 174.16 1hwk h PHE 615 N 1.26 1.04 -0.63 5.60 3.57 -1.35 -2.27 116.94 124.16 1hwk h PHE 615 Ca 0.32 -0.28 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1hwk h PHE 615 Cb -0.01 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1hwk h PHE 615 CO 0.01 1.08 0.36 0.00 -2.23 0.00 0.00 178.31 177.52 1hwk h ALA 616 N 0.80 0.83 -0.27 2.41 0.00 -0.98 0.38 119.26 122.43 1hwk h ALA 616 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1hwk h ALA 616 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1hwk h ALA 616 CO 0.07 0.05 -0.48 -0.39 0.00 0.00 0.00 179.25 178.50 1hwk h VAL 617 N 0.68 1.29 -0.60 0.00 -1.51 -1.19 0.13 116.25 115.05 1hwk h VAL 617 Ca 0.27 -1.68 -0.07 0.00 -1.23 0.00 0.00 66.70 63.98 1hwk h VAL 617 Cb 0.12 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 1hwk h VAL 617 CO -0.15 0.54 0.08 0.40 -1.23 0.00 0.00 177.57 177.21 1hwk h ILE 618 N 0.57 1.26 -0.57 7.19 1.08 -1.08 -1.92 117.51 124.04 1hwk h ILE 618 Ca 0.03 -1.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.43 1hwk h ILE 618 Cb 1.05 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1hwk h ILE 618 CO 0.10 0.37 0.17 0.50 -0.69 0.00 0.00 178.15 178.60 1hwk h LYS 619 N 0.90 0.90 -0.68 2.37 3.64 0.01 0.97 116.57 124.67 1hwk h LYS 619 Ca 0.18 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1hwk h LYS 619 Cb 0.45 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1hwk h LYS 619 CO 0.01 0.82 0.42 1.49 -2.27 0.00 0.00 179.45 179.93 1hwk h GLU 620 N 0.81 0.80 -0.26 1.90 4.81 -0.54 0.53 114.58 122.63 1hwk h GLU 620 Ca 0.18 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1hwk h GLU 620 Cb 0.30 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1hwk h GLU 620 CO -0.00 0.53 -0.40 0.00 -0.73 0.00 0.00 179.01 178.41 1hwk h ALA 621 N 1.30 0.40 0.12 2.92 0.00 -1.04 -2.78 119.26 120.17 1hwk h ALA 621 Ca 0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1hwk h ALA 621 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hwk h ALA 621 CO -0.11 0.50 -0.06 0.35 0.00 0.00 0.00 179.25 179.93 1hwk h PHE 622 N 0.46 -0.15 0.00 0.00 3.57 -0.47 -3.11 116.94 117.25 1hwk h PHE 622 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1hwk h PHE 622 Cb 0.99 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1hwk h PHE 622 CO 0.08 0.09 0.00 -0.44 -2.23 0.00 0.00 178.31 175.81 1hwk h ASP 623 N -0.38 0.00 0.42 0.41 5.19 -0.97 -2.95 116.42 118.15 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 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1hwk h ASP 623 CO 0.03 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.61 1hwk n SER 624 N -2.72 0.00 -0.03 6.45 3.41 -1.05 -3.20 113.62 116.47 1hwk n SER 624 Ca -0.00 0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1hwk n SER 624 Cb 0.18 -0.32 0.24 0.00 -0.26 0.00 0.00 64.21 64.05 1hwk n SER 624 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1hwk n THR 625 N -1.32 0.00 -3.52 6.66 -2.24 -1.12 -4.97 114.28 107.78 1hwk n THR 625 Ca 0.09 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 1hwk n THR 625 Cb 0.17 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1hwk n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hwk s SER 626 N -2.94 -0.38 0.29 3.42 0.15 -1.19 -4.96 113.70 108.08 1hwk s SER 626 Ca 0.13 0.13 0.15 0.00 0.70 0.00 0.00 55.95 57.05 1hwk s SER 626 Cb 0.18 0.38 0.27 0.00 -1.71 0.00 0.00 66.02 65.13 1hwk s SER 626 CO 0.69 -0.56 1.54 0.03 1.20 0.00 0.00 173.24 176.13 1hwk h ARG 627 N 2.18 0.00 0.00 5.44 -0.00 -1.93 -3.32 114.38 116.74 1hwk h ARG 627 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1hwk h ARG 627 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.19 1hwk h ARG 627 CO 0.31 0.55 -1.67 1.19 0.00 0.00 0.00 179.97 180.35 1hwk n PHE 628 N -3.40 0.26 -2.51 3.04 3.01 -1.26 -4.88 117.46 111.72 1hwk n PHE 628 Ca 0.01 0.08 -0.43 0.00 1.01 0.00 0.00 57.45 58.11 1hwk n PHE 628 Cb 0.68 -0.60 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 1hwk n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hwk s ALA 629 N -3.45 3.26 -0.26 4.37 0.00 -1.25 -3.88 121.76 120.55 1hwk s ALA 629 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1hwk s ALA 629 Cb 0.13 -3.83 0.08 0.00 0.00 0.00 0.00 23.12 19.50 1hwk s ALA 629 CO 0.87 -2.00 0.04 1.03 0.00 0.00 0.00 175.76 175.71 1hwk s ARG 630 N 4.31 0.90 0.08 0.00 1.81 -1.21 -4.37 118.95 120.48 1hwk s ARG 630 Ca 0.52 -0.86 -0.31 0.00 -1.72 0.00 0.00 55.73 53.36 1hwk s ARG 630 Cb -0.12 -2.19 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 1hwk s ARG 630 CO 0.26 -0.79 1.65 -1.17 -0.68 0.00 0.00 175.30 174.57 1hwk s LEU 631 N 1.63 4.37 -0.25 2.53 2.96 -1.26 -2.39 118.68 126.26 1hwk s LEU 631 Ca 0.03 2.51 -0.05 0.00 -0.22 0.00 0.00 54.13 56.40 1hwk s LEU 631 Cb -0.18 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.79 1hwk s LEU 631 CO -0.15 -0.88 -0.21 0.00 -1.32 0.00 0.00 176.35 173.79 1hwk n GLN 632 N 5.36 0.63 -3.81 1.98 1.13 0.48 -4.99 117.38 118.17 1hwk n GLN 632 Ca 0.16 0.21 -0.05 0.00 -1.94 0.00 0.00 57.00 55.37 1hwk n GLN 632 Cb 0.40 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 1hwk n GLN 632 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1hwk s LYS 633 N -2.51 1.56 -0.02 -1.09 -2.85 -1.19 -5.05 119.74 108.59 1hwk s LYS 633 Ca -0.35 -0.89 0.04 0.00 -1.00 0.00 0.00 55.97 53.77 1hwk s LYS 633 Cb 0.11 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.38 1hwk s LYS 633 CO 0.58 -0.72 -0.15 -0.51 0.10 0.00 0.00 175.35 174.65 1hwk s LEU 634 N -2.98 1.97 -0.13 2.77 1.02 -1.26 -2.17 118.68 117.91 1hwk s LEU 634 Ca 0.13 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1hwk s LEU 634 Cb -0.04 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.38 1hwk s LEU 634 CO 0.05 0.17 -0.12 -2.28 0.02 0.00 0.00 176.35 174.19 1hwk s HIS 635 N -0.20 1.90 0.00 0.29 5.65 -1.00 -4.98 115.29 116.95 1hwk s HIS 635 Ca 0.03 -1.00 0.05 0.00 0.25 0.00 0.00 55.06 54.38 1hwk s HIS 635 Cb -0.08 -1.44 -0.03 0.00 -1.18 0.00 0.00 32.58 29.85 1hwk s HIS 635 CO 0.00 -0.58 -0.13 0.95 -0.65 0.00 0.00 174.74 174.33 1hwk s THR 636 N 1.47 3.14 -0.01 0.89 -4.23 -1.26 -0.70 115.64 114.94 1hwk s THR 636 Ca 0.03 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 1hwk s THR 636 Cb -0.13 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1hwk s THR 636 CO -0.08 0.43 -0.05 -0.55 -0.54 0.00 0.00 174.62 173.82 1hwk s SER 637 N -1.24 0.68 -0.03 3.99 0.15 0.23 -4.98 113.70 112.50 1hwk s SER 637 Ca 0.15 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1hwk s SER 637 Cb -0.11 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1hwk s SER 637 CO 0.05 0.05 0.01 -0.63 1.20 0.00 0.00 173.24 173.91 1hwk s ILE 638 N 0.06 4.27 -0.42 6.45 1.01 -1.26 0.17 121.20 131.48 1hwk s ILE 638 Ca -0.00 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1hwk s ILE 638 Cb -0.04 -2.87 0.16 0.00 0.01 0.00 0.00 42.46 39.71 1hwk s ILE 638 CO -0.00 0.45 0.30 0.00 0.00 0.00 0.00 174.94 175.69 1hwk s ALA 639 N -1.03 1.52 0.00 9.38 0.00 -0.87 -5.00 121.76 125.76 1hwk s ALA 639 Ca 0.18 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.74 1hwk s ALA 639 Cb -0.11 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1hwk s ALA 639 CO 0.08 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.22 1hwk n GLY 640 N 3.21 3.51 0.04 0.00 0.00 -1.26 -1.56 105.19 109.12 1hwk n GLY 640 Ca 0.22 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 13.50 0.41 -3.14 1.61 1.85 -1.26 -4.41 116.66 125.21 1hwk n ARG 641 Ca 0.00 -0.07 -0.32 0.00 -1.00 0.00 0.00 57.85 56.45 1hwk n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 1hwk n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1hwk s ASN 642 N -2.64 6.78 -0.06 2.89 -0.87 -0.60 -1.38 114.94 119.05 1hwk s ASN 642 Ca 0.25 1.28 -0.02 0.00 -1.57 0.00 0.00 52.86 52.81 1hwk s ASN 642 Cb 0.20 -2.37 0.03 0.00 -0.02 0.00 0.00 41.25 39.08 1hwk s ASN 642 CO 0.49 -0.20 0.02 -0.22 -2.57 0.00 0.00 177.10 174.62 1hwk s LEU 643 N -2.98 0.47 -0.21 0.60 2.96 -0.15 -2.05 118.68 117.32 1hwk s LEU 643 Ca 0.54 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1hwk s LEU 643 Cb -0.10 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.18 1hwk s LEU 643 CO 0.17 -0.21 0.11 -0.31 -1.32 0.00 0.00 176.35 174.80 1hwk s TYR 644 N 2.02 3.29 -0.21 5.38 1.51 0.13 -1.65 117.35 127.82 1hwk s TYR 644 Ca 0.05 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 1hwk s TYR 644 Cb -0.12 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1hwk s TYR 644 CO -0.05 0.10 -0.14 0.42 -1.11 0.00 0.00 175.55 174.77 1hwk s ILE 645 N 0.74 2.36 -0.46 2.71 1.01 -0.92 -0.60 121.20 126.05 1hwk s ILE 645 Ca 0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 1hwk s ILE 645 Cb -0.13 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.28 1hwk s ILE 645 CO 0.02 0.38 0.53 -0.60 0.00 0.00 0.00 174.94 175.26 1hwk s ARG 646 N 1.29 3.11 -0.09 2.79 3.52 0.13 -2.74 118.95 126.95 1hwk s ARG 646 Ca 0.02 -0.84 -0.20 0.00 -0.13 0.00 0.00 55.73 54.58 1hwk s ARG 646 Cb -0.15 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 1hwk s ARG 646 CO -0.09 -1.03 0.57 -0.06 -0.81 0.00 0.00 175.30 173.88 1hwk s PHE 647 N 2.34 3.55 -0.12 5.12 0.40 0.24 -2.37 117.98 127.13 1hwk s PHE 647 Ca 0.13 1.05 0.02 0.00 -0.60 0.00 0.00 56.93 57.53 1hwk s PHE 647 Cb -0.18 -2.66 0.01 0.00 0.51 0.00 0.00 43.02 40.70 1hwk s PHE 647 CO 0.13 0.15 -0.18 -1.14 0.70 0.00 0.00 175.22 174.87 1hwk s GLN 648 N 0.65 2.54 0.03 0.44 0.74 -0.92 -1.86 119.66 121.28 1hwk s GLN 648 Ca 0.31 -0.68 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 1hwk s GLN 648 Cb -0.16 -2.12 -0.00 0.00 1.10 0.00 0.00 33.01 31.82 1hwk s GLN 648 CO 0.14 -0.06 0.16 0.45 -0.55 0.00 0.00 175.29 175.43 1hwk s SER 649 N 0.97 0.07 0.78 6.67 0.15 -0.21 -0.39 113.70 121.74 1hwk s SER 649 Ca -0.06 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.10 1hwk s SER 649 Cb -0.15 0.26 0.06 0.00 -1.71 0.00 0.00 66.02 64.48 1hwk s SER 649 CO -0.03 -0.51 1.10 -0.13 1.20 0.00 0.00 173.24 174.87 1hwk s ARG 650 N -2.37 2.23 -0.20 5.44 0.52 -1.00 -1.11 118.95 122.45 1hwk s ARG 650 Ca -0.07 0.58 0.13 0.00 -0.52 0.00 0.00 55.73 55.85 1hwk s ARG 650 Cb -0.02 -1.94 0.33 0.00 0.52 0.00 0.00 34.95 33.84 1hwk s ARG 650 CO -0.03 -1.50 1.28 -1.13 0.02 0.00 0.00 175.30 173.94 1hwk n SER 651 N -3.34 -0.47 0.00 0.23 3.41 -1.25 -3.35 113.62 108.84 1hwk n SER 651 Ca 0.07 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1hwk n SER 651 Cb 0.57 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -0.74 3.19 0.72 5.00 0.00 -1.26 -1.58 105.19 110.53 1hwk n GLY 652 Ca -0.13 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 2.92 2.17 -4.85 1.61 8.00 -1.26 -3.71 116.55 121.43 1hwk n ASP 653 Ca 0.00 -1.81 -0.34 0.00 0.71 0.00 0.00 54.79 53.35 1hwk n ASP 653 Cb 0.00 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 1hwk n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hwk s ALA 654 N -1.69 3.54 0.45 2.24 0.00 -0.61 0.15 121.76 125.84 1hwk s ALA 654 Ca 0.33 -0.13 0.13 0.00 0.00 0.00 0.00 51.96 52.29 1hwk s ALA 654 Cb 0.18 -2.54 1.05 0.00 0.00 0.00 0.00 23.12 21.81 1hwk s ALA 654 CO 0.27 0.45 2.03 1.98 0.00 0.00 0.00 175.76 180.49 1hwk h MET 655 N 3.18 0.35 0.00 0.00 4.05 -1.76 -3.43 114.93 117.31 1hwk h MET 655 Ca -0.48 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1hwk h MET 655 Cb 1.19 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1hwk h MET 655 CO 0.67 0.23 0.00 0.41 0.23 0.00 0.00 176.91 178.44 1hwk n GLY 656 N -1.52 0.73 0.18 1.39 0.00 -1.26 -4.75 105.19 99.97 1hwk n GLY 656 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1hwk n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1hwk h MET 657 N 2.70 -0.32 -0.46 1.61 2.86 -1.94 0.20 114.93 119.58 1hwk h MET 657 Ca 0.00 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1hwk h MET 657 Cb 0.00 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1hwk h MET 657 CO 0.00 -0.21 0.22 -0.91 1.06 0.00 0.00 176.91 177.07 1hwk h ASN 658 N -0.33 0.59 -0.14 1.22 2.35 -1.99 -0.45 115.58 116.83 1hwk h ASN 658 Ca -0.01 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1hwk h ASN 658 Cb 0.30 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1hwk h ASN 658 CO -0.00 0.55 0.05 -0.03 -1.65 0.00 0.00 177.43 176.34 1hwk h MET 659 N 0.59 0.11 -0.15 0.81 4.05 -1.96 -0.50 114.93 117.89 1hwk h MET 659 Ca 0.16 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1hwk h MET 659 Cb 0.11 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1hwk h MET 659 CO -0.02 0.08 -0.27 0.82 0.23 0.00 0.00 176.91 177.74 1hwk h ILE 660 N 0.12 1.25 -0.31 1.77 5.03 -0.82 -1.84 117.51 122.71 1hwk h ILE 660 Ca 0.06 -1.19 -0.11 0.00 -0.12 0.00 0.00 64.86 63.50 1hwk h ILE 660 Cb 0.04 1.44 -0.01 0.00 -3.03 0.00 0.00 36.82 35.26 1hwk h ILE 660 CO -0.06 0.36 -0.24 0.28 -0.68 0.00 0.00 178.15 177.81 1hwk h SER 661 N 0.25 0.74 -0.20 1.72 0.02 -0.55 0.10 113.55 115.62 1hwk h SER 661 Ca 0.04 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1hwk h SER 661 Cb 0.62 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1hwk h SER 661 CO 0.04 1.03 0.13 0.11 -1.14 0.00 0.00 176.83 177.01 1hwk h LYS 662 N 0.45 0.26 -0.99 3.45 1.57 -0.97 -1.51 116.57 118.83 1hwk h LYS 662 Ca 0.06 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1hwk h LYS 662 Cb 0.79 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1hwk h LYS 662 CO 0.06 0.17 0.66 0.78 -0.57 0.00 0.00 179.45 180.55 1hwk h GLY 663 N 0.27 1.41 0.96 3.86 0.00 -1.08 -2.53 103.07 105.97 1hwk h GLY 663 Ca 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1hwk h GLY 663 CO -0.02 0.49 0.14 -0.84 0.00 0.00 0.00 176.54 176.31 1hwk h THR 664 N 1.33 1.23 -0.56 4.70 2.02 -0.34 -1.89 112.91 119.40 1hwk h THR 664 Ca 0.37 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1hwk h THR 664 Cb -0.12 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1hwk h THR 664 CO -0.09 0.28 0.34 -0.33 0.37 0.00 0.00 175.52 176.09 1hwk h GLU 665 N 0.63 0.77 -0.06 6.66 5.08 -1.01 0.60 114.58 127.24 1hwk h GLU 665 Ca 0.15 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1hwk h GLU 665 Cb 0.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1hwk h GLU 665 CO -0.00 0.55 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.92 1hwk h LYS 666 N 0.76 0.13 -0.27 2.33 3.64 -1.33 -1.26 116.57 120.57 1hwk h LYS 666 Ca 0.20 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 1hwk h LYS 666 Cb -0.01 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1hwk h LYS 666 CO -0.04 0.53 -0.49 0.00 -2.27 0.00 0.00 179.45 177.18 1hwk h ALA 667 N 1.46 0.42 -0.53 5.00 0.00 -0.80 -1.96 119.26 122.85 1hwk h ALA 667 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1hwk h ALA 667 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1hwk h ALA 667 CO 0.06 0.60 0.06 -0.07 0.00 0.00 0.00 179.25 179.90 1hwk h LEU 668 N 0.57 0.82 -0.19 0.00 3.38 -0.63 -0.16 115.31 119.11 1hwk h LEU 668 Ca 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1hwk h LEU 668 Cb 1.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1hwk h LEU 668 CO 0.11 0.85 0.12 -1.28 0.09 0.00 0.00 178.44 178.33 1hwk h SER 669 N 0.81 0.22 -0.77 -0.43 0.87 -1.06 0.16 113.55 113.35 1hwk h SER 669 Ca 0.17 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1hwk h SER 669 Cb 0.40 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 1hwk h SER 669 CO 0.01 0.18 0.37 0.50 -0.53 0.00 0.00 176.83 177.36 1hwk h LYS 670 N 0.24 1.11 -0.92 2.24 1.63 -1.14 -2.14 116.57 117.60 1hwk h LYS 670 Ca 0.07 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1hwk h LYS 670 Cb -0.01 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 1hwk h LYS 670 CO -0.01 0.87 0.51 1.25 -3.45 0.00 0.00 179.45 178.61 1hwk h LEU 671 N 1.09 1.14 -1.76 5.20 5.85 -0.53 -2.23 115.31 124.06 1hwk h LEU 671 Ca 0.27 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1hwk h LEU 671 Cb 0.12 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1hwk h LEU 671 CO -0.03 0.90 0.13 -0.74 -0.34 0.00 0.00 178.44 178.36 1hwk h HIS 672 N 1.28 0.27 -0.05 1.25 2.76 -0.31 -1.27 115.15 119.08 1hwk h HIS 672 Ca 0.32 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1hwk h HIS 672 Cb 0.01 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1hwk h HIS 672 CO 0.01 0.18 -0.35 0.93 -1.30 0.00 0.00 177.93 177.40 1hwk h GLU 673 N 0.29 0.10 0.00 5.26 5.08 -1.12 -1.16 114.58 123.03 1hwk h GLU 673 Ca 0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1hwk h GLU 673 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1hwk h GLU 673 CO -0.01 0.44 -0.59 1.88 -1.00 0.00 0.00 179.01 179.73 1hwk h TYR 674 N 0.09 0.00 -2.17 4.33 -1.99 -1.23 -3.40 116.97 112.60 1hwk h TYR 674 Ca 0.01 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.19 1hwk h TYR 674 Cb 0.66 0.00 -0.36 0.00 2.00 0.00 0.00 36.73 39.03 1hwk h TYR 674 CO 0.00 0.24 -0.97 1.19 -0.00 0.00 0.00 178.16 178.63 1hwk n PHE 675 N -3.01 -1.06 0.22 4.88 3.01 -0.62 -5.01 117.46 115.87 1hwk n PHE 675 Ca 0.00 -3.20 0.18 0.00 1.01 0.00 0.00 57.45 55.44 1hwk n PHE 675 Cb 0.64 0.25 0.85 0.00 -0.01 0.00 0.00 39.48 41.22 1hwk n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hwk h PRO 676 N 5.26 0.00 0.00 -1.08 0.13 -1.45 -1.43 132.00 133.43 1hwk h PRO 676 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1hwk h PRO 676 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1hwk h PRO 676 CO 0.36 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.52 1hwk n GLU 677 N -3.61 0.22 -2.30 0.86 1.02 -1.26 -4.84 120.64 110.72 1hwk n GLU 677 Ca 0.01 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1hwk n GLU 677 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1hwk n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1hwk s MET 678 N -2.78 4.37 -0.21 3.49 1.75 -0.54 -4.57 119.30 120.81 1hwk s MET 678 Ca 0.21 1.91 -0.08 0.00 -1.25 0.00 0.00 55.69 56.48 1hwk s MET 678 Cb 0.19 -3.34 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 1hwk s MET 678 CO 0.47 -0.37 0.08 -1.14 -0.65 0.00 0.00 175.02 173.41 1hwk s GLN 679 N 1.28 3.89 -0.64 4.11 0.74 0.00 -4.95 119.66 124.10 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 -3.29 0.06 0.00 1.10 0.00 0.00 33.01 30.55 1hwk s GLN 679 CO 0.29 0.10 1.00 0.42 -0.55 0.00 0.00 175.29 176.56 1hwk s ILE 680 N 0.85 4.25 0.09 -2.34 1.01 -1.26 -0.56 121.20 123.24 1hwk s ILE 680 Ca 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 1hwk s ILE 680 Cb -0.14 -4.68 -0.16 0.00 0.01 0.00 0.00 42.46 37.49 1hwk s ILE 680 CO 0.02 -1.43 1.29 0.25 0.00 0.00 0.00 174.94 175.07 1hwk h LEU 681 N 11.50 0.90 -7.00 2.97 5.85 -1.72 -3.47 115.31 124.33 1hwk h LEU 681 Ca -0.28 -0.63 0.06 0.00 0.84 0.00 0.00 57.88 57.86 1hwk h LEU 681 Cb 1.07 -0.27 -0.25 0.00 0.37 0.00 0.00 40.66 41.59 1hwk h LEU 681 CO 1.17 1.39 0.28 0.00 -0.34 0.00 0.00 178.44 180.94 1hwk s ALA 682 N -3.73 -2.04 0.63 1.25 0.00 -1.06 -5.02 121.76 111.79 1hwk s ALA 682 Ca -0.11 2.15 0.36 0.00 0.00 0.00 0.00 51.96 54.37 1hwk s ALA 682 Cb 0.08 -1.51 2.10 0.00 0.00 0.00 0.00 23.12 23.79 1hwk s ALA 682 CO 0.89 -0.32 2.30 -0.24 0.00 0.00 0.00 175.76 178.39 1hwk h VAL 683 N 4.51 0.29 -3.37 0.00 3.04 -1.90 -1.88 116.25 116.94 1hwk h VAL 683 Ca -0.29 0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 64.83 1hwk h VAL 683 Cb 1.19 0.99 -0.38 0.00 -2.01 0.00 0.00 31.29 31.09 1hwk h VAL 683 CO 0.15 0.00 -0.80 -0.55 -1.01 0.00 0.00 177.57 175.36 1hwk s SER 684 N -5.69 3.06 -0.26 3.17 0.15 -1.26 -2.83 113.70 110.04 1hwk s SER 684 Ca -0.05 -0.76 0.13 0.00 0.70 0.00 0.00 55.95 55.97 1hwk s SER 684 Cb 0.14 -1.02 0.68 0.00 -1.71 0.00 0.00 66.02 64.11 1hwk s SER 684 CO 0.48 -0.18 1.65 0.61 1.20 0.00 0.00 173.24 177.01 1hwk n GLY 685 N 4.81 3.76 2.47 9.45 0.00 0.71 -4.71 105.19 121.67 1hwk n GLY 685 Ca -0.13 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 1hwk n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hwk n ASN 686 N -0.19 -4.64 -1.08 1.61 4.13 -1.25 -4.84 115.26 109.00 1hwk n ASN 686 Ca 0.32 0.18 0.12 0.00 1.68 0.00 0.00 54.58 56.87 1hwk n ASN 686 Cb 1.17 -2.76 0.24 0.00 -1.54 0.00 0.00 39.78 36.89 1hwk n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hwk n TYR 687 N -2.53 0.49 0.46 3.10 9.36 -1.21 -4.63 117.16 122.20 1hwk n TYR 687 Ca -0.07 -0.24 -0.18 0.00 3.32 0.00 0.00 57.90 60.73 1hwk n TYR 687 Cb 0.36 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.99 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 3.74 -0.24 0.00 2.01 -1.26 -4.73 115.64 109.69 1hwk s THR 689 Ca -0.17 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1hwk s THR 689 Cb 0.02 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1hwk s THR 689 CO 0.52 0.54 0.18 -0.62 -0.69 0.00 0.00 174.62 174.55 1hwk s ASP 690 N -0.10 6.14 -2.18 3.53 2.15 -1.26 -4.58 116.67 120.37 1hwk s ASP 690 Ca 0.01 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1hwk s ASP 690 Cb -0.13 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1hwk s ASP 690 CO 0.03 0.05 0.00 0.29 -0.17 0.00 0.00 175.17 175.36 1hwk n LYS 691 N 4.34 -1.48 -4.10 4.34 5.02 -1.26 -4.99 118.16 120.03 1hwk n LYS 691 Ca -0.14 1.22 -0.14 0.00 -2.02 0.00 0.00 58.31 57.22 1hwk n LYS 691 Cb 0.52 -5.63 -0.12 0.00 -0.02 0.00 0.00 35.03 29.78 1hwk n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1hwk s LYS 692 N -3.88 0.51 0.32 1.97 3.01 -1.26 -4.93 119.74 115.48 1hwk s LYS 692 Ca 0.00 -0.57 -0.29 0.00 -1.01 0.00 0.00 55.97 54.10 1hwk s LYS 692 Cb 0.00 -0.35 -0.11 0.00 -1.01 0.00 0.00 37.83 36.36 1hwk s LYS 692 CO 0.00 0.08 1.42 -1.25 0.51 0.00 0.00 175.35 176.10 1hwk s PRO 693 N -1.09 4.24 -0.25 -1.68 0.04 -1.26 -4.76 135.00 130.24 1hwk s PRO 693 Ca -0.06 2.37 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 1hwk s PRO 693 Cb -0.07 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.49 1hwk s PRO 693 CO 0.00 -0.38 0.65 0.00 0.04 0.00 0.00 177.00 177.31 1hwk s ALA 694 N -0.75 -1.67 0.46 8.56 0.00 -1.26 -5.02 121.76 122.07 1hwk s ALA 694 Ca 0.54 2.06 0.26 0.00 0.00 0.00 0.00 51.96 54.81 1hwk s ALA 694 Cb -0.43 -1.21 1.45 0.00 0.00 0.00 0.00 23.12 22.93 1hwk s ALA 694 CO 0.53 -0.33 2.10 0.00 0.00 0.00 0.00 175.76 178.05 1hwk h ALA 695 N 6.08 1.41 -0.50 0.00 0.00 -1.95 -2.47 119.26 121.83 1hwk h ALA 695 Ca -0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1hwk h ALA 695 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1hwk h ALA 695 CO 0.14 0.13 0.09 0.97 0.00 0.00 0.00 179.25 180.58 1hwk h ILE 696 N 0.00 1.22 -0.22 0.00 2.10 -1.97 -0.38 117.51 118.26 1hwk h ILE 696 Ca -0.00 -0.84 -0.14 0.00 1.08 0.00 0.00 64.86 64.96 1hwk h ILE 696 Cb 0.26 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 36.73 1hwk h ILE 696 CO 0.01 0.31 -0.45 0.78 -1.08 0.00 0.00 178.15 177.72 1hwk h ASN 697 N 0.75 0.59 -0.28 2.19 2.35 -1.72 -0.94 115.58 118.51 1hwk h ASN 697 Ca 0.16 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 1hwk h ASN 697 Cb 0.32 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1hwk h ASN 697 CO 0.00 0.95 -0.05 -0.25 -1.65 0.00 0.00 177.43 176.43 1hwk h TRP 698 N 0.44 0.59 0.14 1.19 2.91 -1.43 -0.31 115.95 119.48 1hwk h TRP 698 Ca 0.03 -0.12 -0.30 0.00 1.13 0.00 0.00 58.89 59.63 1hwk h TRP 698 Cb 0.96 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1hwk h TRP 698 CO 0.04 0.72 -1.41 0.82 -1.03 0.00 0.00 178.44 177.58 1hwk h ILE 699 N 0.29 1.31 -0.00 2.65 2.04 -1.09 -3.38 117.51 119.32 1hwk h ILE 699 Ca 0.07 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 63.04 1hwk h ILE 699 Cb 0.52 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1hwk h ILE 699 CO 0.02 0.85 -0.44 -0.62 0.00 0.00 0.00 178.15 177.96 1hwk n GLU 700 N -3.51 2.61 -0.10 2.37 1.02 -0.36 -5.09 120.64 117.57 1hwk n GLU 700 Ca -0.13 -0.27 0.01 0.00 -0.02 0.00 0.00 57.16 56.75 1hwk n GLU 700 Cb 1.04 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 31.35 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 -2.47 3.61 0.62 0.00 -0.13 -5.02 105.19 102.98 1hwk n GLY 701 Ca 0.03 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.79 0.67 7.12 1.61 3.52 -1.10 -4.70 118.95 123.28 1hwk s ARG 702 Ca 0.00 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 1hwk s ARG 702 Cb 0.00 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1hwk s ARG 702 CO 0.00 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1hwk n GLY 703 N 4.49 1.78 3.54 8.12 0.00 0.57 -3.32 105.19 120.37 1hwk n GLY 703 Ca -0.19 -0.46 -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 3.81 -0.21 1.61 1.02 0.27 -0.23 119.74 126.01 1hwk s LYS 704 Ca 0.00 -0.42 -0.13 0.00 0.02 0.00 0.00 55.97 55.44 1hwk s LYS 704 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1hwk s LYS 704 CO 0.00 0.06 0.29 -1.12 -0.92 0.00 0.00 175.35 173.66 1hwk s SER 705 N 0.93 6.32 0.04 2.83 0.01 -0.19 -1.01 113.70 122.63 1hwk s SER 705 Ca 0.03 0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1hwk s SER 705 Cb -0.14 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1hwk s SER 705 CO 0.03 0.01 -0.07 -0.69 0.41 0.00 0.00 173.24 172.92 1hwk s VAL 706 N 1.06 0.52 -0.00 3.43 1.01 0.50 -0.18 120.40 126.74 1hwk s VAL 706 Ca 0.14 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1hwk s VAL 706 Cb -0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1hwk s VAL 706 CO 0.06 -0.32 -0.08 0.54 0.00 0.00 0.00 175.10 175.30 1hwk s VAL 707 N -1.23 0.62 0.04 2.92 0.11 -0.73 -0.36 120.40 121.78 1hwk s VAL 707 Ca -0.09 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1hwk s VAL 707 Cb -0.09 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1hwk s VAL 707 CO 0.00 0.14 -0.03 0.00 -3.33 0.00 0.00 175.10 171.88 1hwk s GLU 709 N -3.20 1.22 -0.06 0.00 -1.05 0.01 -1.67 118.70 113.95 1hwk s GLU 709 Ca 0.00 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 53.56 1hwk s GLU 709 Cb 0.03 0.45 0.11 0.00 -0.44 0.00 0.00 34.13 34.28 1hwk s GLU 709 CO -0.07 -0.48 0.94 0.00 0.95 0.00 0.00 175.26 176.60 1hwk s ALA 710 N -3.90 -1.87 -0.13 -0.84 0.00 -0.58 -1.31 121.76 113.12 1hwk s ALA 710 Ca 0.11 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.29 1hwk s ALA 710 Cb 0.01 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1hwk s ALA 710 CO -0.04 -0.59 -0.20 0.08 0.00 0.00 0.00 175.76 175.02 1hwk s VAL 711 N -2.58 1.87 -0.26 0.00 1.01 -1.26 -1.21 120.40 117.96 1hwk s VAL 711 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1hwk s VAL 711 Cb -0.01 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1hwk s VAL 711 CO -0.06 0.51 0.09 -0.63 0.00 0.00 0.00 175.10 175.01 1hwk s ILE 712 N 0.90 4.39 0.35 2.22 -1.09 0.72 -4.63 121.20 124.06 1hwk s ILE 712 Ca -0.06 -0.22 -0.28 0.00 -2.23 0.00 0.00 60.65 57.85 1hwk s ILE 712 Cb -0.15 -3.10 -0.12 0.00 -1.58 0.00 0.00 42.46 37.51 1hwk s ILE 712 CO -0.02 0.27 1.36 -2.65 -1.23 0.00 0.00 174.94 172.67 1hwk n PRO 713 N 4.94 2.32 -0.32 2.79 -0.02 -1.26 -0.67 135.00 142.78 1hwk n PRO 713 Ca -0.16 0.81 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 1hwk n PRO 713 Cb 0.51 -2.45 0.37 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.70 1.62 -0.78 3.55 0.00 -1.93 0.71 119.26 125.13 1hwk h ALA 714 Ca -0.48 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1hwk h ALA 714 Cb 1.27 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1hwk h ALA 714 CO 0.63 -0.43 0.39 -0.22 0.00 0.00 0.00 179.25 179.62 1hwk h LYS 715 N 0.36 1.11 -0.45 0.00 3.64 -1.91 -0.80 116.57 118.52 1hwk h LYS 715 Ca 0.63 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.75 1hwk h LYS 715 Cb 1.29 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1hwk h LYS 715 CO -0.58 0.85 -0.15 0.28 -2.27 0.00 0.00 179.45 177.59 1hwk h VAL 716 N 1.09 1.26 -0.59 2.00 2.07 -1.24 0.13 116.25 120.97 1hwk h VAL 716 Ca 0.27 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1hwk h VAL 716 Cb 0.09 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1hwk h VAL 716 CO -0.04 0.43 0.16 0.58 0.02 0.00 0.00 177.57 178.72 1hwk h VAL 717 N 0.76 1.24 0.07 2.57 2.07 -0.90 0.12 116.25 122.18 1hwk h VAL 717 Ca 0.12 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1hwk h VAL 717 Cb 0.66 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1hwk h VAL 717 CO 0.05 0.32 -0.03 0.03 0.02 0.00 0.00 177.57 177.95 1hwk h ARG 718 N 0.88 -0.09 0.13 1.57 3.08 -0.81 -2.13 114.38 117.00 1hwk h ARG 718 Ca 0.19 0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.94 1hwk h ARG 718 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1hwk h ARG 718 CO -0.00 0.39 -1.57 0.93 -1.07 0.00 0.00 179.97 178.64 1hwk h GLU 719 N -0.61 0.26 0.07 0.04 5.08 -0.67 -2.81 114.58 115.94 1hwk h GLU 719 Ca -0.01 -0.45 -0.32 0.00 -1.00 0.00 0.00 59.36 57.58 1hwk h GLU 719 Cb 0.52 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1hwk h GLU 719 CO 0.02 1.13 -1.74 0.28 -1.00 0.00 0.00 179.01 177.70 1hwk n VAL 720 N -3.46 1.68 1.08 3.13 0.31 0.39 -4.47 118.33 116.99 1hwk n VAL 720 Ca -0.18 -0.41 0.12 0.00 -0.01 0.00 0.00 64.34 63.87 1hwk n VAL 720 Cb 1.05 -1.85 0.28 0.00 -0.91 0.00 0.00 33.84 32.40 1hwk n VAL 720 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hwk n LEU 721 N -3.86 0.71 -3.47 7.52 4.77 -1.09 -4.98 117.00 116.59 1hwk n LEU 721 Ca -0.33 -0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.29 1hwk n LEU 721 Cb 0.90 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 1hwk n LEU 721 CO 0.33 0.15 0.10 0.29 -1.33 0.00 0.00 177.39 176.93 1hwk n LYS 722 N -1.19 -5.89 -0.97 3.23 4.76 -0.84 -4.64 118.16 112.62 1hwk n LYS 722 Ca 0.08 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 1hwk n LYS 722 Cb 0.34 -5.67 0.00 0.00 -1.84 0.00 0.00 35.03 27.86 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 -4.66 0.00 -4.50 -0.18 5.66 -0.99 -4.74 114.28 104.87 1hwk n THR 723 Ca -0.02 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.73 1hwk n THR 723 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.86 2.33 0.20 1.09 -4.23 -1.26 -3.21 115.64 107.70 1hwk s THR 724 Ca 0.00 -2.31 -0.09 0.00 -1.18 0.00 0.00 61.69 58.11 1hwk s THR 724 Cb 0.00 -2.45 0.14 0.00 1.34 0.00 0.00 72.50 71.53 1hwk s THR 724 CO 0.00 -0.32 1.78 0.74 -0.54 0.00 0.00 174.62 176.29 1hwk h THR 725 N 2.17 1.24 -0.49 3.99 2.02 -1.92 -2.19 112.91 117.73 1hwk h THR 725 Ca -0.41 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 1hwk h THR 725 Cb 1.25 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1hwk h THR 725 CO 0.65 0.29 0.30 -0.08 0.37 0.00 0.00 175.52 177.06 1hwk h GLU 726 N 1.05 0.67 -0.61 6.66 4.81 -1.93 -1.40 114.58 123.83 1hwk h GLU 726 Ca 0.25 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1hwk h GLU 726 Cb 0.15 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1hwk h GLU 726 CO -0.03 0.48 0.04 0.00 -0.73 0.00 0.00 179.01 178.77 1hwk h ALA 727 N 1.15 0.82 -0.34 2.92 0.00 -1.92 -2.18 119.26 119.71 1hwk h ALA 727 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1hwk h ALA 727 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1hwk h ALA 727 CO -0.03 0.63 0.22 0.52 0.00 0.00 0.00 179.25 180.58 1hwk h MET 728 N 0.95 0.45 -0.73 0.00 2.86 -1.12 -1.89 114.93 115.45 1hwk h MET 728 Ca 0.18 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1hwk h MET 728 Cb 0.50 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1hwk h MET 728 CO 0.02 0.32 0.40 0.82 1.06 0.00 0.00 176.91 179.54 1hwk h ILE 729 N 0.45 1.22 -0.28 -1.22 2.04 -1.13 -0.24 117.51 118.36 1hwk h ILE 729 Ca 0.12 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1hwk h ILE 729 Cb -0.02 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1hwk h ILE 729 CO -0.03 0.25 -0.21 -0.08 0.00 0.00 0.00 178.15 178.08 1hwk h GLU 730 N 1.01 0.51 -0.09 2.37 4.57 -1.22 -1.46 114.58 120.27 1hwk h GLU 730 Ca 0.26 -0.18 -0.22 0.00 -1.18 0.00 0.00 59.36 58.04 1hwk h GLU 730 Cb 0.04 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1hwk h GLU 730 CO -0.04 0.69 -0.79 0.28 -1.18 0.00 0.00 179.01 177.98 1hwk h VAL 731 N 0.46 1.31 -0.34 0.32 2.07 -0.93 -2.71 116.25 116.43 1hwk h VAL 731 Ca 0.07 -2.03 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 1hwk h VAL 731 Cb 0.62 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1hwk h VAL 731 CO 0.04 0.63 0.19 -1.13 0.02 0.00 0.00 177.57 177.33 1hwk h ASN 732 N 0.37 0.41 -0.26 0.57 -1.24 -0.81 0.32 115.58 114.94 1hwk h ASN 732 Ca -0.07 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.85 1hwk h ASN 732 Cb 1.43 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.37 1hwk h ASN 732 CO 0.16 0.36 0.09 0.40 -1.29 0.00 0.00 177.43 177.15 1hwk h ILE 733 N 0.43 1.19 0.00 2.57 2.04 -1.35 -0.92 117.51 121.46 1hwk h ILE 733 Ca 0.12 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1hwk h ILE 733 Cb 0.03 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1hwk h ILE 733 CO -0.02 0.20 0.00 0.78 0.00 0.00 0.00 178.15 179.11 1hwk h ASN 734 N 0.26 0.00 0.00 1.72 2.35 -1.34 -0.16 115.58 118.41 1hwk h ASN 734 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1hwk h ASN 734 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1hwk h ASN 734 CO -0.00 0.00 -0.62 1.17 -1.65 0.00 0.00 177.43 176.33 1hwk n LYS 735 N -2.81 0.33 0.22 0.81 4.81 0.09 -1.71 118.16 119.89 1hwk n LYS 735 Ca 0.05 0.13 0.09 0.00 -0.87 0.00 0.00 58.31 57.71 1hwk n LYS 735 Cb 0.50 -1.06 0.48 0.00 0.02 0.00 0.00 35.03 34.97 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 -0.62 0.00 0.00 3.14 2.35 -1.31 -2.21 115.58 116.93 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 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1hwk h ASN 736 CO 0.00 0.24 -0.20 0.18 -1.65 0.00 0.00 177.43 176.01 1hwk n LEU 737 N -3.49 0.45 -0.08 1.61 4.77 -1.07 -4.21 117.00 114.97 1hwk n LEU 737 Ca -0.00 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1hwk n LEU 737 Cb 0.41 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1hwk n LEU 737 CO 0.34 -0.47 0.81 0.58 -1.33 0.00 0.00 177.39 177.31 1hwk h VAL 738 N -0.20 1.23 -0.16 4.08 2.07 -1.20 -1.12 116.25 120.94 1hwk h VAL 738 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1hwk h VAL 738 Cb 0.20 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1hwk h VAL 738 CO 0.00 0.25 0.11 1.23 0.02 0.00 0.00 177.57 179.17 1hwk h GLY 739 N 0.24 0.23 1.51 2.17 0.00 -1.00 0.11 103.07 106.33 1hwk h GLY 739 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1hwk h GLY 739 CO 0.00 0.09 0.15 1.76 0.00 0.00 0.00 176.54 178.54 1hwk h SER 740 N 0.22 0.58 -0.45 0.19 0.02 -1.38 -1.11 113.55 111.61 1hwk h SER 740 Ca 0.06 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1hwk h SER 740 Cb -0.02 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1hwk h SER 740 CO -0.01 0.55 -0.03 0.00 -1.14 0.00 0.00 176.83 176.19 1hwk h ALA 741 N 1.54 0.61 0.00 3.77 0.00 -0.53 -1.65 119.26 123.00 1hwk h ALA 741 Ca 0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1hwk h ALA 741 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1hwk h ALA 741 CO -0.01 0.44 -0.28 0.52 0.00 0.00 0.00 179.25 179.91 1hwk h MET 742 N 0.66 0.00 0.00 0.00 2.86 -0.28 -2.27 114.93 115.90 1hwk h MET 742 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1hwk h MET 742 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1hwk h MET 742 CO 0.03 0.28 0.00 0.00 1.06 0.00 0.00 176.91 178.28 1hwk n ALA 743 N -2.46 2.34 -2.76 6.32 0.00 -0.47 -4.92 120.51 118.57 1hwk n ALA 743 Ca -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1hwk n ALA 743 Cb 0.34 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.36 1hwk n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hwk n GLY 744 N 1.30 0.30 3.81 0.00 0.00 -0.85 -5.02 105.19 104.73 1hwk n GLY 744 Ca 0.10 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.27 7.05 -0.27 1.61 0.15 -0.65 -5.06 113.70 113.27 1hwk s SER 745 Ca 0.13 1.29 0.02 0.00 0.70 0.00 0.00 55.95 58.09 1hwk s SER 745 Cb -0.06 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1hwk s SER 745 CO 0.27 0.21 -0.09 -0.63 1.20 0.00 0.00 173.24 174.20 1hwk s ILE 746 N -1.23 2.27 0.00 6.45 -1.09 -1.26 -4.68 121.20 121.66 1hwk s ILE 746 Ca 0.33 -1.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.11 1hwk s ILE 746 Cb -0.19 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 1hwk s ILE 746 CO 0.20 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1hwk n GLY 747 N 4.44 0.88 2.66 6.18 0.00 -1.26 -4.94 105.19 113.16 1hwk n GLY 747 Ca -0.13 0.00 -0.35 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 -2.02 5.76 2.50 -0.02 0.00 -1.26 -1.76 105.19 108.39 1hwk n GLY 748 Ca 0.00 -2.55 -0.36 0.00 0.00 0.00 0.00 46.02 43.11 1hwk n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hwk n TYR 749 N -0.58 2.32 -3.96 1.61 4.02 -0.88 -4.83 117.16 114.86 1hwk n TYR 749 Ca 0.50 -2.53 -0.09 0.00 -0.01 0.00 0.00 57.90 55.77 1hwk n TYR 749 Cb 0.45 -1.64 -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 0.21 -0.01 -0.19 7.72 2.20 -1.23 -0.77 114.94 122.87 1hwk s ASN 750 Ca 0.54 -0.94 -0.20 0.00 -0.94 0.00 0.00 52.86 51.32 1hwk s ASN 750 Cb 0.25 0.65 -0.17 0.00 -2.00 0.00 0.00 41.25 39.98 1hwk s ASN 750 CO -0.14 -1.25 0.19 0.00 -2.94 0.00 0.00 177.10 172.95 1hwk h ALA 751 N 2.16 0.20 -0.05 3.54 0.00 -1.93 -3.46 119.26 119.71 1hwk h ALA 751 Ca -0.25 -1.01 -0.20 0.00 0.00 0.00 0.00 54.91 53.45 1hwk h ALA 751 Cb 1.25 0.63 -0.17 0.00 0.00 0.00 0.00 17.79 19.49 1hwk h ALA 751 CO 0.34 0.60 -0.37 -2.39 0.00 0.00 0.00 179.25 177.42 1hwk n HIS 752 N -4.48 -1.94 -0.26 0.00 1.44 -1.26 -4.95 115.22 103.76 1hwk n HIS 752 Ca -0.26 -1.84 0.14 0.00 -2.01 0.00 0.00 57.72 53.75 1hwk n HIS 752 Cb 0.58 1.43 0.41 0.00 0.12 0.00 0.00 29.99 32.53 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 1.49 1.92 -0.58 1.59 0.00 -1.89 -0.94 119.26 120.86 1hwk h ALA 753 Ca -0.36 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1hwk h ALA 753 Cb 1.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1hwk h ALA 753 CO -0.11 -0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.35 1hwk h ALA 754 N 1.61 1.83 -0.43 0.00 0.00 -1.93 0.03 119.26 120.37 1hwk h ALA 754 Ca 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1hwk h ALA 754 Cb 0.84 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1hwk h ALA 754 CO -0.21 0.08 0.24 -0.91 0.00 0.00 0.00 179.25 178.45 1hwk h ASN 755 N 0.56 0.52 -0.03 0.00 2.35 -1.57 -0.57 115.58 116.83 1hwk h ASN 755 Ca 0.25 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1hwk h ASN 755 Cb 0.28 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1hwk h ASN 755 CO -0.07 0.45 -0.05 0.40 -1.65 0.00 0.00 177.43 176.51 1hwk h ILE 756 N 0.56 1.41 -0.54 2.81 1.08 -1.42 -2.50 117.51 118.91 1hwk h ILE 756 Ca 0.15 -1.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.39 1hwk h ILE 756 Cb 0.03 2.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.93 1hwk h ILE 756 CO -0.03 0.35 0.25 0.58 -0.69 0.00 0.00 178.15 178.61 1hwk h VAL 757 N -0.40 0.91 -0.32 1.67 2.07 -0.99 -1.92 116.25 117.26 1hwk h VAL 757 Ca 0.00 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1hwk h VAL 757 Cb 0.59 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1hwk h VAL 757 CO 0.01 0.09 0.10 0.74 0.02 0.00 0.00 177.57 178.53 1hwk h THR 758 N 0.48 1.20 -0.58 2.57 2.02 -1.13 0.21 112.91 117.68 1hwk h THR 758 Ca 0.25 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1hwk h THR 758 Cb 0.20 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1hwk h THR 758 CO -0.20 0.22 0.24 0.00 0.37 0.00 0.00 175.52 176.15 1hwk h ALA 759 N 0.94 0.75 -0.33 6.16 0.00 -1.31 -1.35 119.26 124.12 1hwk h ALA 759 Ca 0.10 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1hwk h ALA 759 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hwk h ALA 759 CO -0.00 0.36 -0.44 0.82 0.00 0.00 0.00 179.25 179.99 1hwk h ILE 760 N 0.80 1.28 -0.51 0.00 2.04 -1.22 -0.95 117.51 118.95 1hwk h ILE 760 Ca 0.19 -1.61 0.03 0.00 1.00 0.00 0.00 64.86 64.47 1hwk h ILE 760 Cb 0.19 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1hwk h ILE 760 CO -0.02 0.53 0.29 1.88 0.00 0.00 0.00 178.15 180.84 1hwk h TYR 761 N 0.68 0.55 -0.49 1.37 -1.99 -0.75 -0.27 116.97 116.07 1hwk h TYR 761 Ca 0.04 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 1hwk h TYR 761 Cb 1.04 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 1hwk h TYR 761 CO 0.07 0.30 -0.04 0.82 -0.00 0.00 0.00 178.16 179.31 1hwk h ILE 762 N 0.58 1.27 -0.13 -2.88 2.04 -1.27 -0.28 117.51 116.84 1hwk h ILE 762 Ca 0.21 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 1hwk h ILE 762 Cb 0.05 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1hwk h ILE 762 CO -0.11 0.40 -0.34 0.00 0.00 0.00 0.00 178.15 178.10 1hwk h ALA 763 N 0.91 1.18 -0.66 1.87 0.00 -1.25 -3.20 119.26 118.11 1hwk h ALA 763 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1hwk h ALA 763 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1hwk h ALA 763 CO 0.03 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1hwk n GLY 765 N 1.15 0.11 3.94 0.00 0.00 -0.96 -4.56 105.19 104.86 1hwk n GLY 765 Ca 0.26 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1hwk n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hwk s GLN 766 N -4.38 1.63 -0.61 1.61 -1.52 -0.15 -2.86 119.66 113.37 1hwk s GLN 766 Ca 0.00 -0.48 -0.24 0.00 -1.95 0.00 0.00 55.36 52.69 1hwk s GLN 766 Cb 0.00 -2.11 0.05 0.00 -0.22 0.00 0.00 33.01 30.73 1hwk s GLN 766 CO 0.00 -1.63 0.98 0.34 -0.25 0.00 0.00 175.29 174.73 1hwk s ASP 767 N -4.68 6.26 0.58 5.90 -1.08 -1.26 -4.73 116.67 117.67 1hwk s ASP 767 Ca 0.66 -0.59 0.32 0.00 -0.52 0.00 0.00 52.55 52.41 1hwk s ASP 767 Cb -0.08 -2.44 1.80 0.00 -1.46 0.00 0.00 42.92 40.75 1hwk s ASP 767 CO 0.47 -1.36 2.22 0.00 0.52 0.00 0.00 175.17 177.02 1hwk h ALA 768 N 9.47 1.35 0.00 3.66 0.00 -1.94 -1.26 119.26 130.54 1hwk h ALA 768 Ca -0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1hwk h ALA 768 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1hwk h ALA 768 CO 1.14 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 180.36 1hwk h ALA 769 N 1.96 1.06 0.00 0.00 0.00 -2.01 -2.11 119.26 118.16 1hwk h ALA 769 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hwk h ALA 769 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1hwk h ALA 769 CO 0.00 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1hwk n GLN 770 N -3.27 0.81 0.28 0.00 6.02 -0.47 -2.97 117.38 117.78 1hwk n GLN 770 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1hwk n GLN 770 Cb 0.30 -1.32 0.83 0.00 1.02 0.00 0.00 30.24 31.06 1hwk n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1hwk h ASN 771 N 0.00 0.00 0.18 1.08 -1.24 -1.54 -0.67 115.58 113.39 1hwk h ASN 771 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.02 1hwk h ASN 771 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1hwk h ASN 771 CO 0.00 0.07 -0.29 0.58 -1.29 0.00 0.00 177.43 176.50 1hwk h VAL 772 N 0.00 0.38 0.00 2.57 2.07 -1.78 -2.42 116.25 117.06 1hwk h VAL 772 Ca -0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 1hwk h VAL 772 Cb 0.21 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1hwk h VAL 772 CO 0.01 0.00 -1.79 0.61 0.02 0.00 0.00 177.57 176.42 1hwk n GLY 773 N -1.40 -1.06 0.27 2.17 0.00 -1.16 -4.24 105.19 99.77 1hwk n GLY 773 Ca -0.07 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1hwk n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1hwk h SER 774 N 0.00 0.00 0.53 1.61 0.02 -1.11 -2.05 113.55 112.55 1hwk h SER 774 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1hwk h SER 774 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1hwk h SER 774 CO 0.05 0.05 0.00 -1.20 -1.14 0.00 0.00 176.83 174.60 1hwk n SER 775 N -4.04 0.00 -4.66 3.07 7.64 -0.91 -4.45 113.62 110.28 1hwk n SER 775 Ca -0.03 -0.19 -0.46 0.00 1.01 0.00 0.00 58.87 59.20 1hwk n SER 775 Cb 0.14 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1hwk n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hwk n ASN 776 N -1.27 2.57 -3.64 6.43 3.02 -0.77 -4.58 115.26 117.02 1hwk n ASN 776 Ca 0.15 1.13 -0.07 0.00 -0.03 0.00 0.00 54.58 55.76 1hwk n ASN 776 Cb 0.23 -1.39 -0.07 0.00 -0.61 0.00 0.00 39.78 37.94 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 0.39 2.74 -0.23 0.00 2.07 -0.59 -2.06 121.20 123.51 1hwk s ILE 778 Ca 0.02 -1.02 -0.13 0.00 -1.41 0.00 0.00 60.65 58.11 1hwk s ILE 778 Cb -0.05 -2.36 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 1hwk s ILE 778 CO -0.09 0.25 0.29 -0.89 -1.91 0.00 0.00 174.94 172.59 1hwk s THR 779 N 1.32 5.26 -0.01 4.00 2.01 0.05 -1.89 115.64 126.38 1hwk s THR 779 Ca 0.01 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.54 1hwk s THR 779 Cb -0.16 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1hwk s THR 779 CO -0.06 0.27 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.14 1hwk s LEU 780 N 1.40 2.07 -0.02 4.42 1.43 0.18 -4.90 118.68 123.26 1hwk s LEU 780 Ca 0.13 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1hwk s LEU 780 Cb -0.15 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 1hwk s LEU 780 CO 0.07 0.29 -0.10 -0.04 0.23 0.00 0.00 176.35 176.79 1hwk s MET 781 N -0.68 0.99 0.04 1.70 -1.94 -1.26 -1.04 119.30 117.11 1hwk s MET 781 Ca 0.10 -0.36 -0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1hwk s MET 781 Cb -0.09 -0.93 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 1hwk s MET 781 CO -0.00 0.17 0.09 -2.00 -0.01 0.00 0.00 175.02 173.27 1hwk s GLU 782 N -0.00 0.57 0.11 2.03 2.12 0.24 -4.89 118.70 118.87 1hwk s GLU 782 Ca -0.00 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1hwk s GLU 782 Cb -0.07 0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.48 1hwk s GLU 782 CO 0.00 -0.14 1.04 0.00 -0.54 0.00 0.00 175.26 175.62 1hwk s ALA 783 N -2.54 3.29 0.36 6.30 0.00 -1.26 0.07 121.76 127.97 1hwk s ALA 783 Ca -0.06 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1hwk s ALA 783 Cb -0.02 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1hwk s ALA 783 CO -0.04 -0.16 0.13 0.45 0.00 0.00 0.00 175.76 176.14 1hwk s SER 784 N 0.23 2.23 0.00 0.00 0.15 0.23 -4.80 113.70 111.74 1hwk s SER 784 Ca 0.50 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1hwk s SER 784 Cb -0.26 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1hwk s SER 784 CO 0.31 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1hwk n GLY 785 N -0.75 -0.81 0.23 9.45 0.00 -1.26 -1.73 105.19 110.33 1hwk n GLY 785 Ca -0.02 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1hwk n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hwk h PRO 786 N 0.00 0.51 -0.54 1.61 0.11 -2.01 -2.72 132.00 128.96 1hwk h PRO 786 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1hwk h PRO 786 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1hwk h PRO 786 CO 0.00 0.34 0.00 0.25 -0.21 0.00 0.00 178.00 178.38 1hwk n THR 787 N -4.89 1.27 -2.78 -1.15 -2.24 -1.26 -4.96 114.28 98.27 1hwk n THR 787 Ca 0.07 -1.11 -0.22 0.00 -2.27 0.00 0.00 64.05 60.53 1hwk n THR 787 Cb 0.19 0.37 0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.97 -6.01 -0.00 3.42 5.03 -1.03 -4.89 115.26 112.74 1hwk n ASN 788 Ca 0.20 -0.19 0.06 0.00 0.87 0.00 0.00 54.58 55.52 1hwk n ASN 788 Cb 0.63 -4.90 -0.08 0.00 -1.02 0.00 0.00 39.78 34.41 1hwk n ASN 788 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1hwk n GLU 789 N -3.62 2.02 -3.08 3.52 1.02 -0.84 -4.47 120.64 115.19 1hwk n GLU 789 Ca -0.16 -0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 56.60 1hwk n GLU 789 Cb 0.64 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.84 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 -2.63 6.90 -0.37 1.62 1.01 -0.70 -4.04 116.67 118.46 1hwk s ASP 790 Ca 0.02 1.39 -0.17 0.00 0.71 0.00 0.00 52.55 54.49 1hwk s ASP 790 Cb 0.09 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1hwk s ASP 790 CO 0.53 -0.14 0.46 -0.22 0.21 0.00 0.00 175.17 176.01 1hwk s LEU 791 N -2.64 4.52 -0.04 1.23 2.96 0.15 0.78 118.68 125.63 1hwk s LEU 791 Ca 0.51 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.95 1hwk s LEU 791 Cb -0.12 -2.47 -0.05 0.00 0.50 0.00 0.00 46.19 44.04 1hwk s LEU 791 CO 0.18 -0.49 0.54 -0.47 -1.32 0.00 0.00 176.35 174.80 1hwk s TYR 792 N 2.25 3.63 -0.00 5.38 5.04 0.11 -0.20 117.35 133.56 1hwk s TYR 792 Ca 0.15 1.08 0.01 0.00 -2.44 0.00 0.00 57.07 55.88 1hwk s TYR 792 Cb -0.16 -2.57 -0.00 0.00 0.35 0.00 0.00 41.96 39.58 1hwk s TYR 792 CO 0.13 0.31 -0.04 -1.50 -1.34 0.00 0.00 175.55 173.12 1hwk s ILE 793 N 0.03 0.30 0.01 3.14 2.07 -0.35 -0.59 121.20 125.81 1hwk s ILE 793 Ca 0.29 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1hwk s ILE 793 Cb -0.17 -0.26 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 1hwk s ILE 793 CO 0.15 0.07 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.29 1hwk s SER 794 N -0.12 0.19 -0.08 4.50 1.04 -0.20 -1.53 113.70 117.49 1hwk s SER 794 Ca 0.01 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1hwk s SER 794 Cb -0.02 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1hwk s SER 794 CO -0.00 -0.21 -0.14 0.00 0.98 0.00 0.00 173.24 173.87 1hwk s THR 796 N 0.78 2.12 -0.32 0.00 2.01 -0.79 -1.28 115.64 118.16 1hwk s THR 796 Ca -0.12 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1hwk s THR 796 Cb -0.16 -1.88 0.10 0.00 0.01 0.00 0.00 72.50 70.57 1hwk s THR 796 CO 0.02 0.54 0.07 -0.04 -0.69 0.00 0.00 174.62 174.52 1hwk s MET 797 N 1.15 1.13 0.00 4.92 -1.94 0.52 -1.54 119.30 123.53 1hwk s MET 797 Ca 0.01 -1.48 0.28 0.00 -1.71 0.00 0.00 55.69 52.79 1hwk s MET 797 Cb -0.14 -2.63 1.36 0.00 2.01 0.00 0.00 34.83 35.43 1hwk s MET 797 CO -0.09 -0.95 1.94 -0.35 -0.01 0.00 0.00 175.02 175.56 1hwk n PRO 798 N 4.54 0.32 -3.04 2.03 -0.04 -1.26 -0.37 135.00 137.17 1hwk n PRO 798 Ca 0.01 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 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.21 -4.58 3.54 3.41 -1.24 -2.71 113.62 110.93 1hwk n SER 799 Ca 0.12 -3.10 -0.43 0.00 -0.26 0.00 0.00 58.87 55.20 1hwk n SER 799 Cb 0.24 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.91 4.40 -0.41 -1.33 1.01 -0.18 -3.33 121.20 119.45 1hwk s ILE 800 Ca 0.35 0.96 -0.19 0.00 0.00 0.00 0.00 60.65 61.77 1hwk s ILE 800 Cb 0.35 -4.48 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1hwk s ILE 800 CO -0.06 -0.86 0.53 -1.61 0.00 0.00 0.00 174.94 172.94 1hwk s GLU 801 N 3.95 3.31 0.15 2.79 2.02 -1.26 -0.56 118.70 129.11 1hwk s GLU 801 Ca 0.41 -0.45 -0.17 0.00 0.02 0.00 0.00 54.97 54.77 1hwk s GLU 801 Cb -0.09 -3.91 0.04 0.00 0.10 0.00 0.00 34.13 30.26 1hwk s GLU 801 CO 0.27 -0.84 0.46 -1.50 0.02 0.00 0.00 175.26 173.67 1hwk s ILE 802 N 2.44 0.05 0.10 -1.63 2.07 -1.26 -4.88 121.20 118.09 1hwk s ILE 802 Ca 0.17 -0.60 -0.25 0.00 -1.41 0.00 0.00 60.65 58.56 1hwk s ILE 802 Cb -0.16 -1.30 0.08 0.00 0.13 0.00 0.00 42.46 41.21 1hwk s ILE 802 CO 0.15 -0.22 0.69 -0.83 -1.91 0.00 0.00 174.94 172.82 1hwk s GLY 803 N -2.83 -0.57 0.00 1.50 0.00 -1.26 -3.51 107.32 100.66 1hwk s GLY 803 Ca 0.05 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.46 1hwk s GLY 803 CO -0.09 0.24 0.78 -1.30 0.00 0.00 0.00 173.10 172.73 1hwk n THR 804 N -0.29 0.50 -3.91 0.90 -2.24 0.12 -4.84 114.28 104.52 1hwk n THR 804 Ca -0.15 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.77 1hwk n THR 804 Cb 0.64 0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 1hwk n THR 804 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hwk s VAL 805 N -0.54 0.04 0.00 2.28 0.11 -1.17 -1.56 120.40 119.56 1hwk s VAL 805 Ca 0.01 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1hwk s VAL 805 Cb 0.01 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1hwk s VAL 805 CO 0.01 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 1hwk n GLY 806 N 2.54 -0.47 7.00 6.54 0.00 -1.26 -4.38 105.19 115.16 1hwk n GLY 806 Ca -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.35 3.24 0.10 -0.02 0.00 -1.26 -1.99 105.19 104.90 1hwk n GLY 807 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.18 0.00 -0.02 0.00 -1.22 -2.24 105.19 100.53 1hwk n GLY 808 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.04 0.26 0.93 2.61 -2.24 -0.84 -2.47 114.28 110.48 1hwk n THR 809 Ca 0.02 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1hwk n THR 809 Cb 0.20 -0.67 0.52 0.00 -2.10 0.00 0.00 70.33 68.29 1hwk n THR 809 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hwk n ASN 810 N -1.32 0.22 -4.81 3.42 3.02 -0.95 -4.45 115.26 110.40 1hwk n ASN 810 Ca 0.10 0.39 -0.37 0.00 -0.03 0.00 0.00 54.58 54.68 1hwk n ASN 810 Cb 0.21 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 1hwk n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hwk s LEU 811 N -3.28 4.38 0.13 3.41 1.43 -1.03 -4.98 118.68 118.75 1hwk s LEU 811 Ca 0.13 1.48 -0.19 0.00 -1.03 0.00 0.00 54.13 54.53 1hwk s LEU 811 Cb 0.18 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1hwk s LEU 811 CO 0.57 0.06 1.77 -0.07 0.23 0.00 0.00 176.35 178.90 1hwk h LEU 812 N 3.56 0.19 -0.89 1.79 3.38 -1.89 -0.97 115.31 120.47 1hwk h LEU 812 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1hwk h LEU 812 Cb 1.20 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1hwk h LEU 812 CO 0.65 0.15 0.57 -0.65 0.09 0.00 0.00 178.44 179.25 1hwk h PRO 813 N 0.26 1.19 -0.05 1.13 0.11 -1.95 -1.18 132.00 131.51 1hwk h PRO 813 Ca 0.10 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1hwk h PRO 813 Cb 0.02 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 1hwk h PRO 813 CO -0.06 0.81 -0.56 -0.56 -0.21 0.00 0.00 178.00 177.42 1hwk h GLN 814 N 1.22 0.16 -0.08 1.05 -0.00 -1.75 -2.27 115.11 113.44 1hwk h GLN 814 Ca 0.33 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.83 1hwk h GLN 814 Cb -0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.37 1hwk h GLN 814 CO -0.07 0.67 -0.17 1.96 -0.00 0.00 0.00 178.83 181.23 1hwk h GLN 815 N 0.12 0.12 -0.49 0.06 4.20 -0.59 -1.56 115.11 116.97 1hwk h GLN 815 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1hwk h GLN 815 Cb 1.02 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1hwk h GLN 815 CO 0.08 0.30 0.14 0.00 -0.67 0.00 0.00 178.83 178.68 1hwk h ALA 816 N 1.72 0.64 -0.32 3.87 0.00 -0.64 0.19 119.26 124.72 1hwk h ALA 816 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1hwk h ALA 816 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1hwk h ALA 816 CO 0.02 0.31 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1hwk h LEU 818 N 0.55 0.95 -0.90 0.00 3.38 -0.88 -2.87 115.31 115.54 1hwk h LEU 818 Ca 0.08 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1hwk h LEU 818 Cb 0.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1hwk h LEU 818 CO 0.05 1.10 0.14 1.56 0.09 0.00 0.00 178.44 181.38 1hwk h GLN 819 N 0.83 0.95 -0.92 1.13 4.20 -0.36 -1.32 115.11 119.63 1hwk h GLN 819 Ca 0.12 -0.21 0.21 0.00 0.06 0.00 0.00 58.65 58.83 1hwk h GLN 819 Cb 0.70 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1hwk h GLN 819 CO 0.05 0.86 0.60 0.52 -0.67 0.00 0.00 178.83 180.19 1hwk h MET 820 N 0.91 0.42 -0.01 1.46 2.86 -1.01 0.23 114.93 119.79 1hwk h MET 820 Ca 0.19 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1hwk h MET 820 Cb 0.34 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1hwk h MET 820 CO 0.00 0.28 -0.43 1.28 1.06 0.00 0.00 176.91 179.10 1hwk n LEU 821 N -4.53 1.30 -0.80 1.22 4.77 -0.59 -4.62 117.00 113.75 1hwk n LEU 821 Ca 0.20 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.69 1hwk n LEU 821 Cb 0.70 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1hwk n LEU 821 CO 0.30 0.25 -0.09 0.61 -1.33 0.00 0.00 177.39 177.13 1hwk n GLY 822 N 1.40 0.14 0.16 -0.72 0.00 0.80 -4.94 105.19 102.04 1hwk n GLY 822 Ca 0.10 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.92 0.91 -2.17 1.61 0.24 -0.87 -5.01 118.33 109.11 1hwk n VAL 823 Ca -0.08 -1.05 -0.41 0.00 -2.04 0.00 0.00 64.34 60.75 1hwk n VAL 823 Cb 0.54 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 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 -1.28 4.37 1.81 7.34 -0.44 -1.24 -4.76 119.66 125.47 1hwk s GLN 824 Ca 0.12 2.11 0.00 0.00 -2.50 0.00 0.00 55.36 55.09 1hwk s GLN 824 Cb 0.11 -3.17 0.00 0.00 -1.64 0.00 0.00 33.01 28.31 1hwk s GLN 824 CO 0.01 -0.27 0.00 0.41 0.50 0.00 0.00 175.29 175.94 1hwk n GLY 825 N 2.16 -1.16 3.81 2.59 0.00 -0.60 -4.86 105.19 107.13 1hwk n GLY 825 Ca 0.05 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.42 3.09 -0.68 4.61 0.00 -1.26 -4.62 121.76 121.48 1hwk s ALA 826 Ca 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 1hwk s ALA 826 Cb 0.00 -3.15 0.14 0.00 0.00 0.00 0.00 23.12 20.11 1hwk s ALA 826 CO 0.00 0.15 0.73 0.00 0.00 0.00 0.00 175.76 176.63 1hwk h LYS 828 N 8.74 0.36 0.43 0.00 1.79 -1.99 -2.83 116.57 123.06 1hwk h LYS 828 Ca -0.14 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1hwk h LYS 828 Cb 1.07 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1hwk h LYS 828 CO 1.00 0.24 -0.21 -0.44 -1.08 0.00 0.00 179.45 178.97 1hwk h ASP 829 N 0.37 -0.49 -3.35 0.86 3.32 -2.05 -3.40 116.42 111.69 1hwk h ASP 829 Ca 0.42 -0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.83 1hwk h ASP 829 Cb 0.69 0.13 -0.40 0.00 0.22 0.00 0.00 39.33 39.97 1hwk h ASP 829 CO -0.45 -0.26 -0.75 0.21 -1.72 0.00 0.00 179.24 176.26 1hwk s ASN 830 N -4.77 3.60 -0.20 6.45 2.47 -1.18 -5.10 114.94 116.21 1hwk s ASN 830 Ca -0.16 -2.47 -0.37 0.00 0.42 0.00 0.00 52.86 50.29 1hwk s ASN 830 Cb 0.03 -0.93 -0.13 0.00 -1.45 0.00 0.00 41.25 38.77 1hwk s ASN 830 CO 0.60 -0.29 1.87 -2.65 -3.72 0.00 0.00 177.10 172.92 1hwk n PRO 831 N 3.74 1.64 0.00 0.43 -0.02 -1.08 -1.83 135.00 137.89 1hwk n PRO 831 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1hwk n PRO 831 Cb 0.35 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 4.60 1.84 0.36 -1.23 0.00 -1.24 -4.58 105.19 104.94 1hwk n GLY 832 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 0.36 1.22 -0.40 1.61 4.57 -1.68 0.29 114.58 120.55 1hwk h GLU 833 Ca 0.00 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1hwk h GLU 833 Cb 0.00 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.30 1hwk h GLU 833 CO 0.00 0.81 0.14 -0.91 -1.18 0.00 0.00 179.01 177.87 1hwk h ASN 834 N 1.26 0.57 -0.56 1.04 2.35 -1.89 0.93 115.58 119.27 1hwk h ASN 834 Ca 0.35 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1hwk h ASN 834 Cb -0.11 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1hwk h ASN 834 CO -0.09 0.60 0.04 0.00 -1.65 0.00 0.00 177.43 176.33 1hwk h ALA 835 N 0.99 0.95 -0.63 -0.83 0.00 -1.67 -0.51 119.26 117.56 1hwk h ALA 835 Ca 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1hwk h ALA 835 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1hwk h ALA 835 CO -0.01 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.94 1hwk h ARG 836 N 0.93 1.06 -0.71 0.00 3.08 -0.14 -1.70 114.38 116.90 1hwk h ARG 836 Ca 0.18 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1hwk h ARG 836 Cb 0.49 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1hwk h ARG 836 CO 0.02 1.01 0.16 0.37 -1.07 0.00 0.00 179.97 180.47 1hwk h GLN 837 N 0.97 1.14 -0.53 0.04 5.75 -0.48 -1.63 115.11 120.37 1hwk h GLN 837 Ca 0.18 -0.28 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1hwk h GLN 837 Cb 0.49 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1hwk h GLN 837 CO 0.02 1.00 0.04 1.25 -2.65 0.00 0.00 178.83 178.49 1hwk h LEU 838 N 1.07 0.84 -0.80 -2.39 5.85 -0.84 -1.65 115.31 117.39 1hwk h LEU 838 Ca 0.22 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1hwk h LEU 838 Cb 0.38 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1hwk h LEU 838 CO 0.00 0.88 -0.07 0.00 -0.34 0.00 0.00 178.44 178.91 1hwk h ALA 839 N 1.21 0.99 -0.64 1.25 0.00 -0.90 -1.14 119.26 120.04 1hwk h ALA 839 Ca 0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1hwk h ALA 839 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1hwk h ALA 839 CO 0.02 0.61 0.13 0.00 0.00 0.00 0.00 179.25 180.00 1hwk h ARG 840 N 0.75 1.04 -0.71 0.00 3.08 -0.99 -1.22 114.38 116.34 1hwk h ARG 840 Ca 0.13 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1hwk h ARG 840 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1hwk h ARG 840 CO 0.03 0.95 0.17 0.82 -1.07 0.00 0.00 179.97 180.88 1hwk h ILE 841 N 0.96 1.26 -0.20 2.04 2.04 -0.93 -0.06 117.51 122.63 1hwk h ILE 841 Ca 0.20 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1hwk h ILE 841 Cb 0.40 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1hwk h ILE 841 CO 0.01 0.38 0.08 0.58 0.00 0.00 0.00 178.15 179.19 1hwk h VAL 842 N 1.07 1.17 -0.66 1.67 2.07 -1.02 0.82 116.25 121.37 1hwk h VAL 842 Ca 0.22 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1hwk h VAL 842 Cb 0.38 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1hwk h VAL 842 CO 0.00 0.16 0.29 0.00 0.02 0.00 0.00 177.57 178.04 1hwk h GLY 844 N 1.02 0.91 1.31 0.00 0.00 -0.80 -1.85 103.07 103.67 1hwk h GLY 844 Ca 0.23 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1hwk h GLY 844 CO -0.02 0.79 -0.13 -0.84 0.00 0.00 0.00 176.54 176.34 1hwk h THR 845 N 0.63 1.26 -0.33 4.70 2.02 -0.49 -1.60 112.91 119.10 1hwk h THR 845 Ca 0.07 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.05 1hwk h THR 845 Cb 0.84 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1hwk h THR 845 CO 0.07 0.41 0.20 0.58 0.37 0.00 0.00 175.52 177.16 1hwk h VAL 846 N 0.73 1.06 -0.84 3.16 2.07 -0.89 0.33 116.25 121.87 1hwk h VAL 846 Ca 0.12 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1hwk h VAL 846 Cb 0.63 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1hwk h VAL 846 CO 0.04 0.08 0.55 -0.03 0.02 0.00 0.00 177.57 178.23 1hwk h MET 847 N 0.42 1.07 -0.61 1.57 -1.53 -1.03 0.31 114.93 115.12 1hwk h MET 847 Ca 0.12 -0.06 0.02 0.00 -3.44 0.00 0.00 59.70 56.34 1hwk h MET 847 Cb -0.03 -0.24 -0.04 0.00 -0.55 0.00 0.00 31.60 30.75 1hwk h MET 847 CO -0.04 0.71 0.39 0.00 0.14 0.00 0.00 176.91 178.10 1hwk h ALA 848 N 1.33 0.78 -0.60 0.39 0.00 -0.77 -0.33 119.26 120.07 1hwk h ALA 848 Ca 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1hwk h ALA 848 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1hwk h ALA 848 CO -0.09 0.16 0.01 0.78 0.00 0.00 0.00 179.25 180.10 1hwk h GLY 849 N 0.78 1.13 0.92 0.00 0.00 -0.11 -2.65 103.07 103.15 1hwk h GLY 849 Ca 0.24 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1hwk h GLY 849 CO -0.08 0.75 0.13 0.83 0.00 0.00 0.00 176.54 178.17 1hwk h GLU 850 N 0.96 0.46 -0.11 4.80 4.39 0.07 -2.13 114.58 123.02 1hwk h GLU 850 Ca 0.17 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.83 1hwk h GLU 850 Cb 0.54 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1hwk h GLU 850 CO 0.03 0.46 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.11 1hwk h LEU 851 N 0.36 -0.49 0.13 1.33 3.38 -0.98 -1.10 115.31 117.95 1hwk h LEU 851 Ca 0.10 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1hwk h LEU 851 Cb 0.17 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1hwk h LEU 851 CO -0.01 -0.21 -0.06 -1.28 0.09 0.00 0.00 178.44 176.97 1hwk h SER 852 N -0.21 -0.15 -0.69 -0.43 0.87 -1.44 -1.55 113.55 109.96 1hwk h SER 852 Ca 0.09 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1hwk h SER 852 Cb 0.34 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1hwk h SER 852 CO -0.23 0.09 0.25 0.25 -0.53 0.00 0.00 176.83 176.66 1hwk h LEU 853 N -0.39 0.98 -1.05 2.23 5.85 -1.41 -1.21 115.31 120.30 1hwk h LEU 853 Ca -0.02 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1hwk h LEU 853 Cb 0.32 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1hwk h LEU 853 CO 0.03 0.90 0.41 0.24 -0.34 0.00 0.00 178.44 179.68 1hwk h MET 854 N 0.99 1.07 -0.51 1.25 2.86 -1.15 -0.67 114.93 118.77 1hwk h MET 854 Ca 0.23 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1hwk h MET 854 Cb 0.25 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1hwk h MET 854 CO -0.01 0.79 0.09 0.00 1.06 0.00 0.00 176.91 178.84 1hwk h ALA 855 N 1.37 0.68 -0.47 6.32 0.00 -0.83 -0.06 119.26 126.27 1hwk h ALA 855 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hwk h ALA 855 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hwk h ALA 855 CO -0.04 0.41 0.11 0.00 0.00 0.00 0.00 179.25 179.72 1hwk h ALA 856 N 0.98 1.31 -0.12 0.00 0.00 -0.71 0.14 119.26 120.85 1hwk h ALA 856 Ca 0.16 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1hwk h ALA 856 Cb 0.39 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1hwk h ALA 856 CO 0.01 0.49 -0.79 -0.07 0.00 0.00 0.00 179.25 178.88 1hwk h LEU 857 N 0.69 0.85 -0.59 0.00 3.38 -0.81 -0.94 115.31 117.89 1hwk h LEU 857 Ca 0.15 -0.57 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1hwk h LEU 857 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1hwk h LEU 857 CO -0.00 1.36 -0.22 0.00 0.09 0.00 0.00 178.44 179.66 1hwk h ALA 858 N 0.62 0.78 0.00 1.53 0.00 -0.53 -3.14 119.26 118.52 1hwk h ALA 858 Ca -0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1hwk h ALA 858 Cb 1.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1hwk h ALA 858 CO 0.16 0.66 -0.77 0.00 0.00 0.00 0.00 179.25 179.29 1hwk h ALA 859 N 0.97 0.54 0.00 0.00 0.00 -0.77 -3.49 119.26 116.51 1hwk h ALA 859 Ca 0.10 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1hwk h ALA 859 Cb 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1hwk h ALA 859 CO 0.06 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.69