#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dq8 n ALA 465 N 0.00 2.35 0.20 -1.67 0.00 -1.26 -4.69 120.51 115.44 1dq8 n ALA 465 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1dq8 n ALA 465 Cb 0.00 0.36 0.13 0.00 0.00 0.00 0.00 19.45 19.95 1dq8 n ALA 465 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dq8 h GLU 466 N 0.00 0.00 -0.29 0.00 4.81 -2.07 -3.26 114.58 113.77 1dq8 h GLU 466 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1dq8 h GLU 466 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1dq8 h GLU 466 CO 0.00 0.10 -0.41 0.82 -0.73 0.00 0.00 179.01 178.79 1dq8 h ILE 467 N 0.00 1.29 -0.88 2.32 1.08 -2.03 -2.88 117.51 116.42 1dq8 h ILE 467 Ca -0.00 -1.59 0.12 0.00 -0.39 0.00 0.00 64.86 63.00 1dq8 h ILE 467 Cb 1.08 1.50 -0.07 0.00 -3.07 0.00 0.00 36.82 36.27 1dq8 h ILE 467 CO 0.01 0.51 0.57 0.40 -0.69 0.00 0.00 178.15 178.95 1dq8 h ILE 468 N 0.58 0.91 -0.05 -0.67 2.04 -1.83 -2.27 117.51 116.21 1dq8 h ILE 468 Ca 0.05 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1dq8 h ILE 468 Cb 0.95 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1dq8 h ILE 468 CO 0.09 0.14 -0.32 1.56 0.00 0.00 0.00 178.15 179.62 1dq8 h GLN 469 N 0.78 -0.43 -0.33 2.37 4.20 -1.65 -2.38 115.11 117.66 1dq8 h GLN 469 Ca 0.42 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.22 1dq8 h GLN 469 Cb 0.55 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 1dq8 h GLN 469 CO -0.19 -0.29 -0.02 -0.07 -0.67 0.00 0.00 178.83 177.60 1dq8 h LEU 470 N -0.44 -0.18 -1.36 1.46 3.38 -1.51 -2.57 115.31 114.09 1dq8 h LEU 470 Ca 0.07 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1dq8 h LEU 470 Cb 0.56 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1dq8 h LEU 470 CO -0.30 -0.05 0.47 0.58 0.09 0.00 0.00 178.44 179.22 1dq8 h VAL 471 N 0.07 1.08 -0.27 1.22 2.07 -1.32 -1.88 116.25 117.21 1dq8 h VAL 471 Ca 0.16 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1dq8 h VAL 471 Cb 0.23 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1dq8 h VAL 471 CO -0.29 0.15 0.19 0.78 0.02 0.00 0.00 177.57 178.42 1dq8 h ASN 472 N 0.82 0.08 -4.35 0.57 2.35 -1.01 -3.41 115.58 110.63 1dq8 h ASN 472 Ca 0.29 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.53 1dq8 h ASN 472 Cb 0.11 -0.02 0.08 0.00 0.05 0.00 0.00 38.32 38.54 1dq8 h ASN 472 CO -0.09 0.05 0.40 0.00 -1.65 0.00 0.00 177.43 176.14 1dq8 s ALA 473 N -5.12 2.90 1.06 -0.83 0.00 -0.71 -5.05 121.76 114.01 1dq8 s ALA 473 Ca -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1dq8 s ALA 473 Cb 0.18 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 20.24 1dq8 s ALA 473 CO 0.70 -0.96 0.14 1.63 0.00 0.00 0.00 175.76 177.28 1dq8 n LYS 474 N -2.94 -2.10 -0.92 0.00 5.02 -1.26 -4.17 118.16 111.79 1dq8 n LYS 474 Ca 0.07 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1dq8 n LYS 474 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 1dq8 n LYS 474 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1dq8 n HIS 475 N -3.26 0.00 -3.22 2.13 8.25 -1.26 -4.90 115.22 112.95 1dq8 n HIS 475 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1dq8 n HIS 475 Cb 0.09 -1.67 -0.05 0.00 1.12 0.00 0.00 29.99 29.48 1dq8 n HIS 475 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1dq8 s ILE 476 N -1.17 -0.45 0.65 1.59 2.07 -1.26 -5.15 121.20 117.48 1dq8 s ILE 476 Ca 0.00 -1.13 -0.15 0.00 -1.41 0.00 0.00 60.65 57.96 1dq8 s ILE 476 Cb 0.00 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 42.06 1dq8 s ILE 476 CO 0.00 -0.49 1.11 -2.84 -1.91 0.00 0.00 174.94 170.81 1dq8 s PRO 477 N 1.14 2.83 0.38 3.50 0.02 -1.26 -4.71 135.00 136.89 1dq8 s PRO 477 Ca 0.22 1.41 0.06 0.00 0.02 0.00 0.00 61.00 62.72 1dq8 s PRO 477 Cb -0.07 -1.95 0.78 0.00 0.02 0.00 0.00 34.50 33.28 1dq8 s PRO 477 CO -0.06 -1.23 2.00 0.00 -0.33 0.00 0.00 177.00 177.38 1dq8 h ALA 478 N 0.11 1.71 0.00 -1.55 0.00 -2.01 -2.27 119.26 115.25 1dq8 h ALA 478 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1dq8 h ALA 478 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1dq8 h ALA 478 CO 0.54 0.21 0.00 2.48 0.00 0.00 0.00 179.25 182.48 1dq8 n TYR 479 N -4.47 0.00 0.14 0.00 0.18 -1.26 -2.76 117.16 109.00 1dq8 n TYR 479 Ca 0.08 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.94 1dq8 n TYR 479 Cb 0.17 0.00 0.15 0.00 -0.38 0.00 0.00 39.34 39.27 1dq8 n TYR 479 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 1dq8 n LYS 480 N -1.00 2.09 -0.22 -3.48 3.00 -0.85 -4.72 118.16 112.98 1dq8 n LYS 480 Ca 0.15 -1.90 0.01 0.00 -0.00 0.00 0.00 58.31 56.57 1dq8 n LYS 480 Cb 0.07 -1.34 0.13 0.00 0.00 0.00 0.00 35.03 33.89 1dq8 n LYS 480 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1dq8 h LEU 481 N 2.90 0.28 -2.04 3.14 3.38 -1.67 -2.71 115.31 118.60 1dq8 h LEU 481 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1dq8 h LEU 481 Cb 0.74 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1dq8 h LEU 481 CO 0.00 0.15 -0.00 -0.33 0.09 0.00 0.00 178.44 178.35 1dq8 h GLU 482 N 0.45 0.00 0.00 1.13 3.07 -1.87 -1.82 114.58 115.54 1dq8 h GLU 482 Ca 0.34 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.13 1dq8 h GLU 482 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1dq8 h GLU 482 CO -0.32 0.00 -0.31 1.15 -1.40 0.00 0.00 179.01 178.13 1dq8 h THR 483 N 0.00 0.74 -0.00 1.13 2.02 -1.84 -3.24 112.91 111.72 1dq8 h THR 483 Ca -0.00 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1dq8 h THR 483 Cb 0.00 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1dq8 h THR 483 CO 0.00 0.31 -0.76 0.18 0.37 0.00 0.00 175.52 175.62 1dq8 n LEU 484 N -3.47 1.00 -4.70 2.58 4.77 -0.76 -4.98 117.00 111.44 1dq8 n LEU 484 Ca -0.00 -0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 55.15 1dq8 n LEU 484 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1dq8 n LEU 484 CO 0.35 0.23 -0.31 -0.63 -1.33 0.00 0.00 177.39 175.70 1dq8 s ILE 485 N -2.58 4.00 -0.91 -0.08 1.01 -0.77 -5.04 121.20 116.84 1dq8 s ILE 485 Ca 0.08 -1.14 0.27 0.00 0.00 0.00 0.00 60.65 59.86 1dq8 s ILE 485 Cb 0.14 -2.96 0.21 0.00 0.01 0.00 0.00 42.46 39.85 1dq8 s ILE 485 CO 0.68 0.01 1.78 -1.84 0.00 0.00 0.00 174.94 175.57 1dq8 n GLU 486 N 0.20 0.09 -4.16 2.79 0.28 -1.26 -4.82 120.64 113.76 1dq8 n GLU 486 Ca -0.10 0.06 -0.17 0.00 -0.16 0.00 0.00 57.16 56.79 1dq8 n GLU 486 Cb 0.53 -1.59 -0.15 0.00 1.43 0.00 0.00 31.44 31.66 1dq8 n GLU 486 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1dq8 s THR 487 N -3.04 0.45 0.08 3.84 2.01 -1.26 -5.05 115.64 112.66 1dq8 s THR 487 Ca 0.12 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1dq8 s THR 487 Cb 0.17 -0.42 -0.16 0.00 0.01 0.00 0.00 72.50 72.09 1dq8 s THR 487 CO 0.58 0.16 1.65 0.45 -0.69 0.00 0.00 174.62 176.77 1dq8 h HIS 488 N 6.47 -0.66 -0.57 4.92 3.86 -1.93 -2.20 115.15 125.04 1dq8 h HIS 488 Ca -0.33 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 58.98 1dq8 h HIS 488 Cb 1.17 0.23 -0.09 0.00 1.06 0.00 0.00 27.41 29.78 1dq8 h HIS 488 CO 0.44 -0.40 0.02 1.49 0.86 0.00 0.00 177.93 180.35 1dq8 h GLU 489 N -0.66 0.13 -0.94 2.45 4.81 -1.94 0.15 114.58 118.58 1dq8 h GLU 489 Ca -0.05 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1dq8 h GLU 489 Cb 0.53 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1dq8 h GLU 489 CO 0.07 0.09 0.62 -0.09 -0.73 0.00 0.00 179.01 178.96 1dq8 h ARG 490 N 0.14 1.15 -0.51 1.92 2.43 -1.96 0.17 114.38 117.70 1dq8 h ARG 490 Ca 0.29 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1dq8 h ARG 490 Cb 0.46 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1dq8 h ARG 490 CO -0.47 0.76 0.32 0.78 -1.51 0.00 0.00 179.97 179.85 1dq8 h GLY 491 N 1.18 0.73 0.97 2.80 0.00 -0.10 0.06 103.07 108.70 1dq8 h GLY 491 Ca 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1dq8 h GLY 491 CO -0.11 0.22 0.22 -2.08 0.00 0.00 0.00 176.54 174.78 1dq8 h VAL 492 N 0.64 1.21 -0.30 4.60 2.07 -0.20 -2.04 116.25 122.23 1dq8 h VAL 492 Ca 0.20 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1dq8 h VAL 492 Cb -0.01 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1dq8 h VAL 492 CO -0.07 0.24 0.13 -1.28 0.02 0.00 0.00 177.57 176.61 1dq8 h SER 493 N 0.68 0.18 -0.73 0.57 0.87 -0.15 -0.22 113.55 114.75 1dq8 h SER 493 Ca 0.17 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1dq8 h SER 493 Cb 0.17 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1dq8 h SER 493 CO -0.02 0.14 0.22 0.40 -0.53 0.00 0.00 176.83 177.04 1dq8 h ILE 494 N 0.29 1.26 -0.79 2.23 2.04 -0.86 -1.59 117.51 120.09 1dq8 h ILE 494 Ca 0.13 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1dq8 h ILE 494 Cb 0.07 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1dq8 h ILE 494 CO -0.11 0.36 0.34 -0.09 0.00 0.00 0.00 178.15 178.66 1dq8 h ARG 495 N 1.10 1.15 -0.73 2.37 2.43 -0.84 0.54 114.38 120.39 1dq8 h ARG 495 Ca 0.24 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1dq8 h ARG 495 Cb 0.33 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1dq8 h ARG 495 CO -0.00 0.91 0.22 0.00 -1.51 0.00 0.00 179.97 179.58 1dq8 h ARG 496 N 1.13 1.14 -0.45 0.20 3.08 -0.64 0.23 114.38 119.08 1dq8 h ARG 496 Ca 0.27 -0.25 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1dq8 h ARG 496 Cb 0.17 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1dq8 h ARG 496 CO -0.03 0.98 -0.15 1.96 -1.07 0.00 0.00 179.97 181.66 1dq8 h GLN 497 N 1.09 0.90 -0.14 0.04 4.20 -0.77 0.66 115.11 121.08 1dq8 h GLN 497 Ca 0.23 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1dq8 h GLN 497 Cb 0.32 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1dq8 h GLN 497 CO -0.01 1.01 0.07 -0.07 -0.67 0.00 0.00 178.83 179.16 1dq8 h LEU 498 N 0.73 0.19 -0.70 1.46 3.38 -0.62 -2.94 115.31 116.81 1dq8 h LEU 498 Ca 0.11 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1dq8 h LEU 498 Cb 0.71 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1dq8 h LEU 498 CO 0.05 0.27 0.45 0.25 0.09 0.00 0.00 178.44 179.54 1dq8 h LEU 499 N 0.10 0.75 -0.75 1.67 5.85 -0.43 -3.02 115.31 119.49 1dq8 h LEU 499 Ca 0.05 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.93 1dq8 h LEU 499 Cb 0.13 -0.17 -0.13 0.00 0.37 0.00 0.00 40.66 40.86 1dq8 h LEU 499 CO -0.01 0.53 0.02 -1.28 -0.34 0.00 0.00 178.44 177.36 1dq8 h SER 500 N 0.89 -0.32 0.09 1.25 0.87 -0.68 -0.32 113.55 115.32 1dq8 h SER 500 Ca 0.27 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1dq8 h SER 500 Cb -0.03 0.33 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1dq8 h SER 500 CO -0.09 -0.17 -0.01 0.11 -0.53 0.00 0.00 176.83 176.15 1dq8 h LYS 501 N 0.11 0.00 -0.05 2.24 1.57 -1.51 -1.54 116.57 117.40 1dq8 h LYS 501 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1dq8 h LYS 501 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1dq8 h LYS 501 CO -0.65 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 179.87 1dq8 n LYS 502 N -3.37 1.96 -3.52 3.15 5.02 -0.14 -4.93 118.16 116.34 1dq8 n LYS 502 Ca -0.03 -1.40 -0.38 0.00 -2.02 0.00 0.00 58.31 54.48 1dq8 n LYS 502 Cb 0.10 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1dq8 n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dq8 s LEU 503 N -1.95 4.46 0.52 -0.35 1.43 -0.58 -4.95 118.68 117.25 1dq8 s LEU 503 Ca 0.34 0.91 0.20 0.00 -1.03 0.00 0.00 54.13 54.55 1dq8 s LEU 503 Cb 0.20 -2.55 1.36 0.00 0.03 0.00 0.00 46.19 45.24 1dq8 s LEU 503 CO 0.32 0.31 2.13 0.77 0.23 0.00 0.00 176.35 180.11 1dq8 h SER 504 N 4.86 0.00 -3.75 2.29 4.64 -1.91 -3.21 113.55 116.47 1dq8 h SER 504 Ca -0.51 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.19 1dq8 h SER 504 Cb 1.22 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 1dq8 h SER 504 CO 0.62 0.06 -0.68 -0.70 -0.87 0.00 0.00 176.83 175.26 1dq8 s GLU 505 N -4.75 1.70 0.60 4.77 2.12 -1.26 -4.99 118.70 116.89 1dq8 s GLU 505 Ca -0.04 -2.43 0.29 0.00 0.36 0.00 0.00 54.97 53.14 1dq8 s GLU 505 Cb 0.16 -2.83 1.54 0.00 0.26 0.00 0.00 34.13 33.26 1dq8 s GLU 505 CO 0.64 -1.17 1.95 -1.35 -0.54 0.00 0.00 175.26 174.79 1dq8 h PRO 506 N 6.42 0.00 -0.02 4.30 0.11 -1.75 -2.28 132.00 138.78 1dq8 h PRO 506 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1dq8 h PRO 506 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1dq8 h PRO 506 CO 0.59 0.00 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.19 1dq8 n SER 507 N -3.61 1.59 -0.26 -2.05 3.41 -1.26 -4.44 113.62 107.00 1dq8 n SER 507 Ca 0.05 -1.45 0.17 0.00 -0.26 0.00 0.00 58.87 57.38 1dq8 n SER 507 Cb 0.55 0.04 0.46 0.00 -0.26 0.00 0.00 64.21 64.99 1dq8 n SER 507 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1dq8 h SER 508 N 2.40 0.51 0.02 4.04 4.64 -1.83 -0.44 113.55 122.90 1dq8 h SER 508 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1dq8 h SER 508 Cb 0.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1dq8 h SER 508 CO 0.00 0.21 0.00 0.18 -0.87 0.00 0.00 176.83 176.35 1dq8 n LEU 509 N -4.55 0.00 -0.33 5.97 4.77 -1.26 -3.84 117.00 117.76 1dq8 n LEU 509 Ca 0.19 0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1dq8 n LEU 509 Cb 0.63 -0.02 0.27 0.00 -2.33 0.00 0.00 43.42 41.97 1dq8 n LEU 509 CO 0.29 -0.01 1.16 -0.61 -1.33 0.00 0.00 177.39 176.89 1dq8 h GLN 510 N 0.00 0.71 -0.59 3.23 4.15 -1.41 -2.52 115.11 118.69 1dq8 h GLN 510 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1dq8 h GLN 510 Cb 0.01 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1dq8 h GLN 510 CO 0.00 0.47 0.00 0.66 -1.93 0.00 0.00 178.83 178.03 1dq8 n TYR 511 N -4.79 0.78 -3.12 3.99 4.02 -1.25 -4.80 117.16 111.98 1dq8 n TYR 511 Ca 0.20 -0.44 -0.44 0.00 -0.01 0.00 0.00 57.90 57.21 1dq8 n TYR 511 Cb 0.48 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 1dq8 n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1dq8 s LEU 512 N -1.10 5.16 0.75 7.72 2.96 -0.95 -5.04 118.68 128.18 1dq8 s LEU 512 Ca 0.42 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.02 1dq8 s LEU 512 Cb 0.22 -2.38 0.05 0.00 0.50 0.00 0.00 46.19 44.59 1dq8 s LEU 512 CO 0.30 -1.02 1.20 -2.16 -1.32 0.00 0.00 176.35 173.35 1dq8 s PRO 513 N 2.71 2.00 0.00 0.98 0.04 -1.26 -4.85 135.00 134.61 1dq8 s PRO 513 Ca 0.14 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1dq8 s PRO 513 Cb -0.22 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1dq8 s PRO 513 CO 0.09 -1.94 0.00 2.48 0.04 0.00 0.00 177.00 177.67 1dq8 n TYR 514 N -2.92 0.00 -2.64 0.56 0.18 -1.26 -1.62 117.16 109.46 1dq8 n TYR 514 Ca 0.13 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.59 1dq8 n TYR 514 Cb 0.50 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.41 1dq8 n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1dq8 s ARG 515 N 0.00 4.11 -1.22 -3.48 0.52 -1.26 -4.32 118.95 113.29 1dq8 s ARG 515 Ca 0.00 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.21 1dq8 s ARG 515 Cb 0.00 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1dq8 s ARG 515 CO 0.00 -0.14 0.77 -0.25 0.02 0.00 0.00 175.30 175.70 1dq8 n ASP 516 N -1.03 -2.96 -3.92 0.23 8.00 -1.26 -5.02 116.55 110.58 1dq8 n ASP 516 Ca 0.07 -0.83 -0.14 0.00 0.71 0.00 0.00 54.79 54.60 1dq8 n ASP 516 Cb 0.54 -4.15 -0.14 0.00 -0.02 0.00 0.00 41.12 37.35 1dq8 n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1dq8 s TYR 517 N -3.57 0.24 -1.17 1.24 5.04 -1.26 -5.09 117.35 112.78 1dq8 s TYR 517 Ca 0.18 -0.09 -0.21 0.00 -2.44 0.00 0.00 57.07 54.51 1dq8 s TYR 517 Cb -0.05 -0.16 0.04 0.00 0.35 0.00 0.00 41.96 42.15 1dq8 s TYR 517 CO 0.81 -0.02 1.68 1.21 -1.34 0.00 0.00 175.55 177.89 1dq8 s ASN 518 N -0.20 6.42 0.42 4.32 2.47 -1.26 -4.81 114.94 122.30 1dq8 s ASN 518 Ca -0.00 -1.91 0.28 0.00 0.42 0.00 0.00 52.86 51.65 1dq8 s ASN 518 Cb -0.02 -2.58 0.95 0.00 -1.45 0.00 0.00 41.25 38.15 1dq8 s ASN 518 CO -0.00 -1.59 1.81 1.88 -3.72 0.00 0.00 177.10 175.47 1dq8 h TYR 519 N 8.80 0.00 -0.89 0.43 -1.99 -1.98 -3.25 116.97 118.09 1dq8 h TYR 519 Ca 0.32 0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.15 1dq8 h TYR 519 Cb 0.93 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.59 1dq8 h TYR 519 CO 1.34 0.00 0.53 0.66 -0.00 0.00 0.00 178.16 180.69 1dq8 h SER 520 N 0.00 0.77 1.58 3.88 4.64 -1.90 0.15 113.55 122.68 1dq8 h SER 520 Ca 0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1dq8 h SER 520 Cb 0.64 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1dq8 h SER 520 CO 0.00 0.43 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.15 1dq8 h LEU 521 N 0.88 0.00 0.00 5.97 4.07 -1.97 -3.35 115.31 120.91 1dq8 h LEU 521 Ca 0.43 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.30 1dq8 h LEU 521 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1dq8 h LEU 521 CO -0.25 0.17 -0.55 0.58 -1.08 0.00 0.00 178.44 177.31 1dq8 h VAL 522 N 0.00 0.97 -2.76 1.22 2.07 -1.32 -3.42 116.25 113.01 1dq8 h VAL 522 Ca -0.00 -1.92 -0.56 0.00 0.82 0.00 0.00 66.70 65.04 1dq8 h VAL 522 Cb 1.01 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1dq8 h VAL 522 CO 0.02 0.33 1.01 -0.04 0.02 0.00 0.00 177.57 178.91 1dq8 s MET 523 N -2.19 4.16 0.00 1.57 -1.94 0.40 -0.11 119.30 121.19 1dq8 s MET 523 Ca -0.20 1.89 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 1dq8 s MET 523 Cb 0.01 -3.89 0.00 0.00 2.01 0.00 0.00 34.83 32.96 1dq8 s MET 523 CO 0.49 -0.83 0.00 0.41 -0.01 0.00 0.00 175.02 175.08 1dq8 n GLY 524 N 3.96 0.72 0.00 -0.03 0.00 -1.26 -4.86 105.19 103.71 1dq8 n GLY 524 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1dq8 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 n ALA 525 N -1.04 0.42 -0.01 4.61 0.00 -0.96 -5.02 120.51 118.51 1dq8 n ALA 525 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1dq8 n ALA 525 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1dq8 n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dq8 s GLU 528 N -1.27 1.77 -1.41 0.00 8.01 -1.26 -4.42 118.70 120.12 1dq8 s GLU 528 Ca -0.05 -1.87 -0.00 0.00 0.01 0.00 0.00 54.97 53.06 1dq8 s GLU 528 Cb -0.00 -1.73 0.00 0.00 -4.31 0.00 0.00 34.13 28.08 1dq8 s GLU 528 CO 0.04 0.22 0.40 0.09 0.01 0.00 0.00 175.26 176.02 1dq8 n ASN 529 N -0.72 -0.27 -4.72 -0.19 3.02 -1.26 -4.86 115.26 106.26 1dq8 n ASN 529 Ca -0.05 -1.01 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 1dq8 n ASN 529 Cb 0.62 -3.02 -0.03 0.00 -0.61 0.00 0.00 39.78 36.74 1dq8 n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dq8 s VAL 530 N -3.97 3.63 -0.15 2.41 1.01 -1.26 -4.92 120.40 117.14 1dq8 s VAL 530 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1dq8 s VAL 530 Cb -0.00 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1dq8 s VAL 530 CO 0.89 0.10 0.72 2.30 0.00 0.00 0.00 175.10 179.10 1dq8 n ILE 531 N 3.85 0.35 -0.79 2.22 -5.35 -1.26 -4.58 119.36 113.80 1dq8 n ILE 531 Ca 0.10 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1dq8 n ILE 531 Cb 0.44 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 1dq8 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dq8 n GLY 532 N -0.08 0.43 3.09 3.28 0.00 -1.26 -4.80 105.19 105.84 1dq8 n GLY 532 Ca 0.01 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 1dq8 n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dq8 s TYR 533 N -3.40 0.38 -0.33 1.61 -0.85 -0.64 -4.98 117.35 109.15 1dq8 s TYR 533 Ca 0.00 -0.84 -0.05 0.00 -0.52 0.00 0.00 57.07 55.66 1dq8 s TYR 533 Cb 0.00 -0.28 0.04 0.00 0.38 0.00 0.00 41.96 42.11 1dq8 s TYR 533 CO 0.00 -0.37 0.08 1.41 -1.52 0.00 0.00 175.55 175.15 1dq8 s MET 534 N -3.32 2.55 0.12 -3.49 -2.45 -1.26 -4.18 119.30 107.27 1dq8 s MET 534 Ca 0.01 -1.23 -0.30 0.00 -1.25 0.00 0.00 55.69 52.92 1dq8 s MET 534 Cb 0.03 -3.39 -0.07 0.00 1.25 0.00 0.00 34.83 32.66 1dq8 s MET 534 CO -0.08 -0.67 1.23 -2.14 1.05 0.00 0.00 175.02 174.41 1dq8 s PRO 535 N 1.35 4.44 -0.18 4.11 0.02 -1.26 -5.03 135.00 138.46 1dq8 s PRO 535 Ca -0.02 1.86 0.01 0.00 0.02 0.00 0.00 61.00 62.87 1dq8 s PRO 535 Cb -0.20 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.06 1dq8 s PRO 535 CO 0.01 -0.21 -0.19 0.42 -0.33 0.00 0.00 177.00 176.70 1dq8 s ILE 536 N 0.58 2.00 0.37 2.83 -1.09 -1.26 -5.10 121.20 119.53 1dq8 s ILE 536 Ca 0.57 -0.90 -0.26 0.00 -2.23 0.00 0.00 60.65 57.83 1dq8 s ILE 536 Cb -0.32 -1.81 -0.12 0.00 -1.58 0.00 0.00 42.46 38.63 1dq8 s ILE 536 CO 0.33 0.53 0.97 -2.65 -1.23 0.00 0.00 174.94 172.88 1dq8 n PRO 537 N 4.64 1.29 -4.32 2.79 -0.02 -1.26 -4.72 135.00 133.40 1dq8 n PRO 537 Ca -0.20 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 1dq8 n PRO 537 Cb 0.50 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.89 1dq8 n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dq8 s VAL 538 N -1.21 1.60 0.42 -1.45 1.01 -1.26 -1.17 120.40 118.34 1dq8 s VAL 538 Ca 0.61 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1dq8 s VAL 538 Cb -0.61 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1dq8 s VAL 538 CO 0.58 0.46 0.11 -0.83 0.00 0.00 0.00 175.10 175.42 1dq8 s GLY 539 N 1.15 2.43 -0.03 4.51 0.00 0.52 -4.91 107.32 110.99 1dq8 s GLY 539 Ca -0.02 -2.13 0.05 0.00 0.00 0.00 0.00 44.72 42.62 1dq8 s GLY 539 CO -0.05 -2.00 -0.20 0.54 0.00 0.00 0.00 173.10 171.39 1dq8 s VAL 540 N -2.66 1.60 -0.08 1.40 0.11 -1.26 -0.10 120.40 119.41 1dq8 s VAL 540 Ca 0.37 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.63 1dq8 s VAL 540 Cb 0.06 -1.35 -0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1dq8 s VAL 540 CO 0.20 0.45 -0.24 0.00 -3.33 0.00 0.00 175.10 172.19 1dq8 s ALA 541 N -0.22 2.14 0.00 1.54 0.00 -0.05 -4.91 121.76 120.26 1dq8 s ALA 541 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1dq8 s ALA 541 Cb -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1dq8 s ALA 541 CO 0.01 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1dq8 n GLY 542 N 3.32 -2.22 3.75 0.00 0.00 -1.26 -0.92 105.19 107.86 1dq8 n GLY 542 Ca -0.19 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1dq8 n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dq8 s PRO 543 N -1.86 4.61 -0.44 1.61 0.04 -1.26 -4.94 135.00 132.76 1dq8 s PRO 543 Ca 0.00 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 62.60 1dq8 s PRO 543 Cb 0.00 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1dq8 s PRO 543 CO 0.00 0.14 0.82 -1.17 0.04 0.00 0.00 177.00 176.83 1dq8 s LEU 544 N -1.04 4.17 -0.69 -3.56 2.96 0.69 -4.67 118.68 116.54 1dq8 s LEU 544 Ca 0.47 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 54.17 1dq8 s LEU 544 Cb -0.32 -3.03 0.06 0.00 0.50 0.00 0.00 46.19 43.40 1dq8 s LEU 544 CO 0.39 -0.92 1.04 0.00 -1.32 0.00 0.00 176.35 175.54 1dq8 s LEU 546 N 4.42 1.44 -1.58 0.00 2.96 -0.43 0.29 118.68 125.79 1dq8 s LEU 546 Ca 0.25 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 1dq8 s LEU 546 Cb -0.14 -0.71 0.07 0.00 0.50 0.00 0.00 46.19 45.91 1dq8 s LEU 546 CO 0.11 -0.02 0.44 0.47 -1.32 0.00 0.00 176.35 176.02 1dq8 n ASP 547 N 4.11 -0.99 -0.10 3.68 8.00 -0.42 -0.78 116.55 130.06 1dq8 n ASP 547 Ca -0.21 -1.10 -0.01 0.00 0.71 0.00 0.00 54.79 54.17 1dq8 n ASP 547 Cb 0.51 -2.45 -0.01 0.00 -0.02 0.00 0.00 41.12 39.16 1dq8 n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dq8 n GLU 548 N -4.41 -0.90 -4.36 -1.24 1.02 -1.26 -5.00 120.64 104.49 1dq8 n GLU 548 Ca -0.16 0.31 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 1dq8 n GLU 548 Cb 0.61 -4.04 -0.09 0.00 -0.02 0.00 0.00 31.44 27.90 1dq8 n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dq8 s LYS 549 N -1.17 2.07 -0.13 3.49 1.02 0.04 -5.13 119.74 119.93 1dq8 s LYS 549 Ca 0.00 -1.89 0.01 0.00 0.02 0.00 0.00 55.97 54.11 1dq8 s LYS 549 Cb 0.00 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.48 1dq8 s LYS 549 CO 0.00 0.01 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.08 1dq8 s GLU 550 N -3.76 2.27 0.03 1.68 2.02 -1.26 -1.31 118.70 118.36 1dq8 s GLU 550 Ca 0.37 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.86 1dq8 s GLU 550 Cb 0.04 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1dq8 s GLU 550 CO 0.20 -0.16 -0.15 -0.06 0.02 0.00 0.00 175.26 175.11 1dq8 s PHE 551 N 1.26 2.64 -0.38 1.61 0.40 -0.31 -4.89 117.98 118.32 1dq8 s PHE 551 Ca -0.00 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1dq8 s PHE 551 Cb -0.14 -1.50 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1dq8 s PHE 551 CO -0.07 0.28 0.17 -0.65 0.70 0.00 0.00 175.22 175.65 1dq8 s GLN 552 N -1.43 2.50 -0.31 0.44 -1.52 -1.26 -0.23 119.66 117.85 1dq8 s GLN 552 Ca 0.15 -1.39 -0.19 0.00 -1.95 0.00 0.00 55.36 51.98 1dq8 s GLN 552 Cb -0.11 -3.57 -0.01 0.00 -0.22 0.00 0.00 33.01 29.10 1dq8 s GLN 552 CO 0.06 -0.83 0.58 0.08 -0.25 0.00 0.00 175.29 174.93 1dq8 s VAL 553 N 1.36 4.98 0.11 1.09 1.01 -0.10 -4.62 120.40 124.24 1dq8 s VAL 553 Ca 0.01 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1dq8 s VAL 553 Cb -0.21 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1dq8 s VAL 553 CO 0.01 -0.11 0.99 -2.16 0.00 0.00 0.00 175.10 173.82 1dq8 s PRO 554 N 2.50 4.67 -0.12 2.72 0.04 -1.26 -0.87 135.00 142.68 1dq8 s PRO 554 Ca 0.23 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1dq8 s PRO 554 Cb -0.15 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.06 1dq8 s PRO 554 CO 0.12 0.17 0.04 -1.64 0.04 0.00 0.00 177.00 175.72 1dq8 s MET 555 N 0.04 0.42 -0.28 4.56 -1.94 0.86 -4.38 119.30 118.58 1dq8 s MET 555 Ca 0.48 -0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 54.25 1dq8 s MET 555 Cb -0.24 -1.37 -0.02 0.00 2.01 0.00 0.00 34.83 35.21 1dq8 s MET 555 CO 0.30 -0.47 0.53 0.00 -0.01 0.00 0.00 175.02 175.38 1dq8 s ALA 556 N 2.00 3.57 0.17 3.03 0.00 -0.49 -0.36 121.76 129.69 1dq8 s ALA 556 Ca 0.03 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 1dq8 s ALA 556 Cb -0.14 -2.93 0.06 0.00 0.00 0.00 0.00 23.12 20.11 1dq8 s ALA 556 CO -0.06 -0.84 0.61 0.99 0.00 0.00 0.00 175.76 176.46 1dq8 s THR 557 N 2.36 0.00 -0.20 0.00 2.01 -0.31 -4.27 115.64 115.22 1dq8 s THR 557 Ca 0.21 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1dq8 s THR 557 Cb -0.15 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.28 1dq8 s THR 557 CO 0.10 0.00 0.91 0.35 -0.69 0.00 0.00 174.62 175.29 1dq8 n THR 558 N -0.39 0.72 -3.07 -0.82 -2.24 -1.26 -4.07 114.28 103.15 1dq8 n THR 558 Ca -0.15 -0.86 -0.43 0.00 -2.27 0.00 0.00 64.05 60.33 1dq8 n THR 558 Cb 0.64 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1dq8 n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dq8 s GLU 559 N -0.77 3.31 0.43 -0.78 2.12 -1.26 -5.04 118.70 116.71 1dq8 s GLU 559 Ca 0.04 -0.31 -0.25 0.00 0.36 0.00 0.00 54.97 54.80 1dq8 s GLU 559 Cb 0.02 -3.95 -0.09 0.00 0.26 0.00 0.00 34.13 30.37 1dq8 s GLU 559 CO 0.03 -1.04 1.33 0.41 -0.54 0.00 0.00 175.26 175.45 1dq8 n GLY 560 N 5.03 0.71 3.43 -1.50 0.00 -1.26 -2.55 105.19 109.05 1dq8 n GLY 560 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1dq8 n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 h LEU 562 N 0.00 -0.07 -0.48 0.00 5.85 -1.93 0.13 115.31 118.81 1dq8 h LEU 562 Ca 0.00 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1dq8 h LEU 562 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1dq8 h LEU 562 CO 0.00 0.03 0.06 0.58 -0.34 0.00 0.00 178.44 178.78 1dq8 h VAL 563 N -0.17 1.25 -0.55 1.05 2.07 -1.90 -0.81 116.25 117.20 1dq8 h VAL 563 Ca -0.01 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1dq8 h VAL 563 Cb 0.14 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1dq8 h VAL 563 CO 0.01 0.34 0.34 0.00 0.02 0.00 0.00 177.57 178.28 1dq8 h ALA 564 N 0.96 0.70 -0.30 1.67 0.00 -1.91 0.26 119.26 120.64 1dq8 h ALA 564 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1dq8 h ALA 564 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1dq8 h ALA 564 CO 0.01 0.08 0.08 1.03 0.00 0.00 0.00 179.25 180.45 1dq8 h SER 565 N 0.69 0.45 -0.73 0.00 0.87 -0.54 -1.11 113.55 113.19 1dq8 h SER 565 Ca 0.21 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1dq8 h SER 565 Cb -0.03 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1dq8 h SER 565 CO -0.07 0.55 0.37 0.74 -0.53 0.00 0.00 176.83 177.89 1dq8 h THR 566 N 0.32 1.23 -0.80 2.23 2.02 -0.80 -1.57 112.91 115.53 1dq8 h THR 566 Ca 0.09 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1dq8 h THR 566 Cb 0.28 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1dq8 h THR 566 CO -0.00 0.26 0.44 -1.13 0.37 0.00 0.00 175.52 175.46 1dq8 h ASN 567 N 1.01 1.01 -0.64 4.18 -1.24 -0.25 -1.25 115.58 118.39 1dq8 h ASN 567 Ca 0.25 -0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1dq8 h ASN 567 Cb 0.08 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.84 1dq8 h ASN 567 CO -0.04 0.82 0.27 -0.09 -1.29 0.00 0.00 177.43 177.10 1dq8 h ARG 568 N 1.12 0.96 -0.52 6.67 2.43 -0.72 -1.71 114.38 122.60 1dq8 h ARG 568 Ca 0.28 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1dq8 h ARG 568 Cb 0.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1dq8 h ARG 568 CO -0.04 0.80 0.17 0.78 -1.51 0.00 0.00 179.97 180.17 1dq8 h GLY 569 N 0.90 0.83 1.12 2.80 0.00 -0.62 -1.59 103.07 106.51 1dq8 h GLY 569 Ca 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1dq8 h GLY 569 CO -0.02 0.41 0.18 0.00 0.00 0.00 0.00 176.54 177.11 1dq8 h ARG 571 N 1.04 0.33 -0.49 0.00 9.65 -0.56 0.14 114.38 124.49 1dq8 h ARG 571 Ca 0.22 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1dq8 h ARG 571 Cb 0.34 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1dq8 h ARG 571 CO -0.00 0.31 0.26 0.00 2.80 0.00 0.00 179.97 183.35 1dq8 h ALA 572 N 1.00 0.63 -0.67 2.80 0.00 -1.13 -1.24 119.26 120.64 1dq8 h ALA 572 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dq8 h ALA 572 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1dq8 h ALA 572 CO -0.01 0.16 0.38 0.82 0.00 0.00 0.00 179.25 180.60 1dq8 h ILE 573 N 0.65 1.20 -0.34 0.00 2.04 -0.93 -2.03 117.51 118.10 1dq8 h ILE 573 Ca 0.17 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1dq8 h ILE 573 Cb 0.06 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1dq8 h ILE 573 CO -0.03 0.22 -0.12 1.23 0.00 0.00 0.00 178.15 179.45 1dq8 h GLY 574 N 0.92 0.63 2.00 5.37 0.00 -0.39 0.02 103.07 111.62 1dq8 h GLY 574 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1dq8 h GLY 574 CO -0.04 0.41 0.00 1.41 0.00 0.00 0.00 176.54 178.32 1dq8 h LEU 575 N 0.54 0.00 -2.96 3.11 3.38 -0.94 -2.78 115.31 115.65 1dq8 h LEU 575 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dq8 h LEU 575 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1dq8 h LEU 575 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1dq8 n GLY 576 N 0.67 2.55 1.53 0.83 0.00 -0.79 -4.87 105.19 105.11 1dq8 n GLY 576 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1dq8 n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 577 N 0.94 0.60 0.00 -0.02 0.00 -1.05 -4.61 105.19 101.06 1dq8 n GLY 577 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1dq8 n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 578 N -2.76 -0.24 3.78 -0.02 0.00 -0.06 -5.01 105.19 100.87 1dq8 n GLY 578 Ca 0.00 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 1dq8 n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 s ALA 579 N -1.92 3.60 -0.02 4.61 0.00 0.15 -4.57 121.76 123.61 1dq8 s ALA 579 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.31 1dq8 s ALA 579 Cb 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1dq8 s ALA 579 CO 0.00 0.09 -0.12 -1.12 0.00 0.00 0.00 175.76 174.61 1dq8 s SER 580 N -3.88 1.43 0.10 0.00 0.01 0.07 -1.30 113.70 110.13 1dq8 s SER 580 Ca 0.37 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.43 1dq8 s SER 580 Cb -0.05 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1dq8 s SER 580 CO 0.24 0.12 -0.07 -0.94 0.41 0.00 0.00 173.24 173.00 1dq8 s SER 581 N -0.07 1.16 -0.09 2.44 1.04 -1.26 -0.25 113.70 116.67 1dq8 s SER 581 Ca 0.01 -1.00 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 1dq8 s SER 581 Cb -0.07 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1dq8 s SER 581 CO 0.00 -0.46 0.26 -0.13 0.98 0.00 0.00 173.24 173.89 1dq8 s ARG 582 N -3.81 0.34 -0.17 4.02 1.81 -0.38 -4.99 118.95 115.75 1dq8 s ARG 582 Ca 0.12 0.30 -0.20 0.00 -1.72 0.00 0.00 55.73 54.22 1dq8 s ARG 582 Cb 0.05 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.68 1dq8 s ARG 582 CO -0.05 -0.05 0.60 0.08 -0.68 0.00 0.00 175.30 175.20 1dq8 s VAL 583 N -0.02 5.06 -0.12 3.52 1.01 -1.26 -1.93 120.40 126.66 1dq8 s VAL 583 Ca -0.01 1.14 0.17 0.00 0.00 0.00 0.00 61.98 63.28 1dq8 s VAL 583 Cb -0.02 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.25 1dq8 s VAL 583 CO 0.01 0.16 0.63 0.18 0.00 0.00 0.00 175.10 176.08 1dq8 n LEU 584 N 4.70 0.61 -3.46 3.92 4.77 0.13 -4.99 117.00 122.68 1dq8 n LEU 584 Ca -0.03 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1dq8 n LEU 584 Cb 0.50 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1dq8 n LEU 584 CO 0.44 0.21 0.51 0.00 -1.33 0.00 0.00 177.39 177.23 1dq8 s ALA 585 N -2.88 -1.69 -0.24 -1.18 0.00 -1.22 -4.96 121.76 109.58 1dq8 s ALA 585 Ca -0.05 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 1dq8 s ALA 585 Cb 0.09 0.67 0.13 0.00 0.00 0.00 0.00 23.12 24.01 1dq8 s ALA 585 CO 0.83 -0.72 0.42 0.34 0.00 0.00 0.00 175.76 176.62 1dq8 s ASP 586 N -2.59 -0.08 -0.30 0.00 2.15 -1.25 -1.69 116.67 112.90 1dq8 s ASP 586 Ca 0.02 0.51 -0.18 0.00 0.43 0.00 0.00 52.55 53.34 1dq8 s ASP 586 Cb -0.01 1.31 0.18 0.00 -0.30 0.00 0.00 42.92 44.10 1dq8 s ASP 586 CO -0.11 -0.28 1.22 -0.83 -0.17 0.00 0.00 175.17 175.01 1dq8 s GLY 587 N 2.60 0.04 0.57 2.66 0.00 -0.08 -4.41 107.32 108.71 1dq8 s GLY 587 Ca 0.10 3.32 -0.17 0.00 0.00 0.00 0.00 44.72 47.96 1dq8 s GLY 587 CO -0.16 3.68 1.08 -0.29 0.00 0.00 0.00 173.10 177.42 1dq8 s MET 588 N 2.57 3.32 0.21 2.90 1.75 -0.22 -1.44 119.30 128.40 1dq8 s MET 588 Ca -0.04 1.37 0.05 0.00 -1.25 0.00 0.00 55.69 55.82 1dq8 s MET 588 Cb -0.05 -2.02 -0.05 0.00 2.84 0.00 0.00 34.83 35.55 1dq8 s MET 588 CO -0.12 -0.83 -0.06 0.95 -0.65 0.00 0.00 175.02 174.31 1dq8 s THR 589 N -2.17 1.26 -0.09 10.11 -4.23 -1.26 -1.14 115.64 118.12 1dq8 s THR 589 Ca 0.67 -2.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1dq8 s THR 589 Cb -0.19 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1dq8 s THR 589 CO 0.32 -0.46 0.21 -0.60 -0.54 0.00 0.00 174.62 173.55 1dq8 s ARG 590 N -3.78 0.21 -0.57 3.99 6.06 -0.74 -4.91 118.95 119.21 1dq8 s ARG 590 Ca 0.25 0.39 0.04 0.00 -2.50 0.00 0.00 55.73 53.91 1dq8 s ARG 590 Cb 0.04 -0.02 0.16 0.00 0.06 0.00 0.00 34.95 35.20 1dq8 s ARG 590 CO 0.07 -0.10 0.40 0.20 -2.50 0.00 0.00 175.30 173.37 1dq8 s GLY 591 N 0.69 2.19 0.71 8.12 0.00 -1.26 -1.11 107.32 116.67 1dq8 s GLY 591 Ca -0.05 -3.21 -0.14 0.00 0.00 0.00 0.00 44.72 41.33 1dq8 s GLY 591 CO -0.04 1.47 1.14 -4.14 0.00 0.00 0.00 173.10 171.53 1dq8 s PRO 592 N -0.68 2.40 -0.19 2.90 0.02 -1.09 -0.77 135.00 137.59 1dq8 s PRO 592 Ca 0.26 1.48 -0.02 0.00 0.02 0.00 0.00 61.00 62.74 1dq8 s PRO 592 Cb -0.06 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 1dq8 s PRO 592 CO -0.15 -1.58 -0.11 0.54 -0.33 0.00 0.00 177.00 175.38 1dq8 s VAL 593 N -2.34 2.94 0.43 3.83 0.11 -0.88 -2.46 120.40 122.03 1dq8 s VAL 593 Ca 0.68 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 1dq8 s VAL 593 Cb -0.23 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 1dq8 s VAL 593 CO 0.46 0.48 0.20 0.68 -3.33 0.00 0.00 175.10 173.59 1dq8 s VAL 594 N 1.15 2.17 -0.09 2.04 -7.23 -0.08 -1.96 120.40 116.40 1dq8 s VAL 594 Ca 0.01 -1.68 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1dq8 s VAL 594 Cb -0.14 -2.85 0.03 0.00 0.56 0.00 0.00 36.38 33.98 1dq8 s VAL 594 CO -0.03 0.00 0.22 -0.60 -0.31 0.00 0.00 175.10 174.38 1dq8 s ARG 595 N -3.95 0.22 0.35 4.82 3.52 0.67 -1.03 118.95 123.54 1dq8 s ARG 595 Ca 0.38 0.40 0.08 0.00 -0.13 0.00 0.00 55.73 56.46 1dq8 s ARG 595 Cb 0.03 0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 1dq8 s ARG 595 CO 0.21 -0.09 0.19 -0.51 -0.81 0.00 0.00 175.30 174.29 1dq8 s LEU 596 N 0.65 3.33 0.36 -0.88 1.02 -0.69 -0.33 118.68 122.15 1dq8 s LEU 596 Ca -0.04 -0.73 0.03 0.00 0.02 0.00 0.00 54.13 53.41 1dq8 s LEU 596 Cb -0.06 -1.84 0.67 0.00 0.02 0.00 0.00 46.19 44.98 1dq8 s LEU 596 CO -0.04 -0.35 2.02 -0.65 0.02 0.00 0.00 176.35 177.35 1dq8 h PRO 597 N 1.45 0.79 -4.43 1.29 0.11 -1.87 -3.45 132.00 125.89 1dq8 h PRO 597 Ca -0.44 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1dq8 h PRO 597 Cb 1.25 -0.18 -0.16 0.00 0.11 0.00 0.00 31.00 32.03 1dq8 h PRO 597 CO 0.62 0.52 -0.69 1.03 -0.21 0.00 0.00 178.00 179.27 1dq8 s ARG 598 N -5.68 0.67 0.37 1.05 0.52 -1.26 -4.99 118.95 109.63 1dq8 s ARG 598 Ca -0.10 -1.16 0.06 0.00 -0.52 0.00 0.00 55.73 54.01 1dq8 s ARG 598 Cb 0.18 -0.03 0.73 0.00 0.52 0.00 0.00 34.95 36.35 1dq8 s ARG 598 CO 0.76 -0.05 1.95 0.00 0.02 0.00 0.00 175.30 177.98 1dq8 h ALA 599 N 3.35 1.51 -0.46 2.13 0.00 -1.86 -1.40 119.26 122.53 1dq8 h ALA 599 Ca -0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dq8 h ALA 599 Cb 1.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1dq8 h ALA 599 CO 0.60 0.36 0.29 0.00 0.00 0.00 0.00 179.25 180.50 1dq8 h ASP 601 N 0.63 0.81 -0.57 0.00 3.32 -1.70 -2.55 116.42 116.35 1dq8 h ASP 601 Ca 0.17 -0.67 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1dq8 h ASP 601 Cb -0.04 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1dq8 h ASP 601 CO -0.03 1.36 0.36 0.28 -1.72 0.00 0.00 179.24 179.48 1dq8 h SER 602 N 0.32 0.59 -0.76 6.45 0.02 -0.61 -0.70 113.55 118.87 1dq8 h SER 602 Ca -0.07 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1dq8 h SER 602 Cb 1.39 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1dq8 h SER 602 CO 0.15 0.42 0.50 0.00 -1.14 0.00 0.00 176.83 176.76 1dq8 h ALA 603 N 1.24 1.50 -0.35 3.77 0.00 -0.87 -0.36 119.26 124.19 1dq8 h ALA 603 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1dq8 h ALA 603 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1dq8 h ALA 603 CO -0.09 0.45 -0.06 1.49 0.00 0.00 0.00 179.25 181.04 1dq8 h GLU 604 N 0.98 0.66 -0.57 0.00 4.81 -0.82 -0.81 114.58 118.83 1dq8 h GLU 604 Ca 0.29 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1dq8 h GLU 604 Cb -0.05 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1dq8 h GLU 604 CO -0.07 0.81 0.17 0.28 -0.73 0.00 0.00 179.01 179.47 1dq8 h VAL 605 N 0.46 1.22 -0.17 0.32 2.07 -0.56 0.18 116.25 119.78 1dq8 h VAL 605 Ca 0.09 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1dq8 h VAL 605 Cb 0.55 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1dq8 h VAL 605 CO 0.03 0.29 0.02 0.50 0.02 0.00 0.00 177.57 178.43 1dq8 h LYS 606 N 0.83 0.28 -0.59 1.57 3.64 -0.85 -0.46 116.57 120.98 1dq8 h LYS 606 Ca 0.19 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1dq8 h LYS 606 Cb 0.25 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1dq8 h LYS 606 CO -0.01 0.46 0.38 0.00 -2.27 0.00 0.00 179.45 178.01 1dq8 h ALA 607 N 0.81 0.76 -0.30 5.00 0.00 -0.79 -1.86 119.26 122.87 1dq8 h ALA 607 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dq8 h ALA 607 Cb 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1dq8 h ALA 607 CO 0.00 0.14 0.15 2.35 0.00 0.00 0.00 179.25 181.89 1dq8 h TRP 608 N 0.76 0.27 0.00 0.00 7.01 -0.74 -1.58 115.95 121.66 1dq8 h TRP 608 Ca 0.23 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1dq8 h TRP 608 Cb -0.04 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1dq8 h TRP 608 CO -0.04 0.15 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.65 1dq8 h LEU 609 N 0.31 0.00 -0.19 0.65 3.38 -0.62 -2.11 115.31 116.73 1dq8 h LEU 609 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dq8 h LEU 609 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1dq8 h LEU 609 CO -0.09 0.03 -0.29 -0.62 0.09 0.00 0.00 178.44 177.57 1dq8 n GLU 610 N -3.86 0.38 -1.84 1.13 1.02 -0.62 -3.73 120.64 113.12 1dq8 n GLU 610 Ca -0.03 -0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 56.61 1dq8 n GLU 610 Cb 0.12 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1dq8 n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dq8 s THR 611 N -2.75 4.61 0.29 2.62 -4.23 -0.79 -4.94 115.64 110.46 1dq8 s THR 611 Ca 0.19 0.85 0.08 0.00 -1.18 0.00 0.00 61.69 61.63 1dq8 s THR 611 Cb 0.19 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.24 1dq8 s THR 611 CO 0.58 -1.11 1.68 0.77 -0.54 0.00 0.00 174.62 176.00 1dq8 h SER 612 N -0.37 0.17 0.51 3.99 4.64 -1.89 -2.42 113.55 118.18 1dq8 h SER 612 Ca -0.44 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1dq8 h SER 612 Cb 1.19 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1dq8 h SER 612 CO 0.61 0.62 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.62 1dq8 h GLU 613 N 0.13 -0.67 -0.39 4.77 3.07 -1.93 -1.69 114.58 117.87 1dq8 h GLU 613 Ca 0.01 0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1dq8 h GLU 613 Cb 0.89 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1dq8 h GLU 613 CO 0.07 -0.36 0.14 0.78 -1.40 0.00 0.00 179.01 178.24 1dq8 h GLY 614 N -0.98 0.50 1.14 -3.84 0.00 -1.67 -2.05 103.07 96.18 1dq8 h GLY 614 Ca -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1dq8 h GLY 614 CO 0.12 0.04 0.45 -2.75 0.00 0.00 0.00 176.54 174.40 1dq8 h PHE 615 N 0.31 1.10 -0.26 5.60 3.57 -1.47 -2.49 116.94 123.30 1dq8 h PHE 615 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1dq8 h PHE 615 Cb 0.15 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1dq8 h PHE 615 CO -0.14 0.76 0.17 0.00 -2.23 0.00 0.00 178.31 176.86 1dq8 h ALA 616 N 1.37 0.32 -0.28 2.41 0.00 -0.77 -0.20 119.26 122.11 1dq8 h ALA 616 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1dq8 h ALA 616 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dq8 h ALA 616 CO -0.05 -0.20 0.05 -0.39 0.00 0.00 0.00 179.25 178.67 1dq8 h VAL 617 N 0.34 1.23 0.00 0.00 -1.51 -1.13 -1.27 116.25 113.91 1dq8 h VAL 617 Ca 0.09 -0.76 -0.06 0.00 -1.23 0.00 0.00 66.70 64.74 1dq8 h VAL 617 Cb -0.02 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1dq8 h VAL 617 CO -0.02 0.25 -0.29 0.16 -1.23 0.00 0.00 177.57 176.43 1dq8 h ILE 618 N 0.28 0.71 -0.37 7.19 -0.00 -1.41 -2.01 117.51 121.89 1dq8 h ILE 618 Ca 0.09 -1.30 -0.13 0.00 -0.00 0.00 0.00 64.86 63.51 1dq8 h ILE 618 Cb 0.32 1.84 -0.01 0.00 -0.00 0.00 0.00 36.82 38.96 1dq8 h ILE 618 CO 0.00 0.29 -0.30 0.50 -0.00 0.00 0.00 178.15 178.64 1dq8 h LYS 619 N 0.00 0.81 -0.12 0.16 3.64 -0.76 0.14 116.57 120.44 1dq8 h LYS 619 Ca -0.00 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1dq8 h LYS 619 Cb 0.81 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1dq8 h LYS 619 CO 0.04 1.00 0.04 1.49 -2.27 0.00 0.00 179.45 179.74 1dq8 h GLU 620 N 0.69 0.18 -0.36 1.90 4.81 -0.86 0.17 114.58 121.11 1dq8 h GLU 620 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1dq8 h GLU 620 Cb 0.84 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1dq8 h GLU 620 CO 0.07 0.32 0.20 0.00 -0.73 0.00 0.00 179.01 178.87 1dq8 h ALA 621 N 0.85 0.47 0.31 2.92 0.00 -1.20 -2.07 119.26 120.54 1dq8 h ALA 621 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1dq8 h ALA 621 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dq8 h ALA 621 CO -0.00 -0.00 -0.15 0.35 0.00 0.00 0.00 179.25 179.45 1dq8 h PHE 622 N 0.46 -0.38 0.00 0.00 3.57 -0.56 -2.91 116.94 117.12 1dq8 h PHE 622 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1dq8 h PHE 622 Cb 0.06 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1dq8 h PHE 622 CO -0.03 -0.23 0.00 -0.25 -2.23 0.00 0.00 178.31 175.58 1dq8 n ASP 623 N -5.26 0.61 0.08 0.41 9.92 0.59 -2.57 116.55 120.33 1dq8 n ASP 623 Ca -0.10 0.71 0.13 0.00 -0.53 0.00 0.00 54.79 55.00 1dq8 n ASP 623 Cb 0.19 -0.82 0.46 0.00 -0.64 0.00 0.00 41.12 40.31 1dq8 n ASP 623 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1dq8 n SER 624 N -2.24 0.54 0.05 -2.24 3.41 -0.79 -3.27 113.62 109.07 1dq8 n SER 624 Ca 0.00 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1dq8 n SER 624 Cb 0.13 -0.71 0.51 0.00 -0.26 0.00 0.00 64.21 63.89 1dq8 n SER 624 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1dq8 n THR 625 N -2.03 0.33 -3.58 6.66 -2.24 -1.06 -4.91 114.28 107.45 1dq8 n THR 625 Ca 0.05 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1dq8 n THR 625 Cb 0.35 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1dq8 n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dq8 s SER 626 N -3.63 -0.22 0.52 3.42 0.15 -1.20 -4.98 113.70 107.75 1dq8 s SER 626 Ca 0.12 0.11 0.30 0.00 0.70 0.00 0.00 55.95 57.18 1dq8 s SER 626 Cb 0.15 0.21 1.33 0.00 -1.71 0.00 0.00 66.02 66.00 1dq8 s SER 626 CO 0.53 -0.29 1.99 0.03 1.20 0.00 0.00 173.24 176.70 1dq8 h ARG 627 N 2.16 0.00 0.00 5.44 3.08 -1.91 -2.88 114.38 120.27 1dq8 h ARG 627 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1dq8 h ARG 627 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1dq8 h ARG 627 CO 0.26 0.11 -1.53 1.19 -1.07 0.00 0.00 179.97 178.92 1dq8 n PHE 628 N -3.33 0.00 -2.06 3.04 3.01 -1.26 -4.83 117.46 112.03 1dq8 n PHE 628 Ca -0.00 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 1dq8 n PHE 628 Cb 0.31 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 1dq8 n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dq8 s ALA 629 N -3.24 2.03 -0.44 4.37 0.00 -1.09 -4.22 121.76 119.16 1dq8 s ALA 629 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1dq8 s ALA 629 Cb 0.14 -4.39 0.13 0.00 0.00 0.00 0.00 23.12 19.01 1dq8 s ALA 629 CO 0.87 -4.17 0.23 1.03 0.00 0.00 0.00 175.76 173.71 1dq8 s ARG 630 N 6.97 1.38 -0.17 0.00 1.81 -1.26 -4.12 118.95 123.55 1dq8 s ARG 630 Ca 0.67 -2.06 -0.34 0.00 -1.72 0.00 0.00 55.73 52.28 1dq8 s ARG 630 Cb -0.10 -2.50 -0.11 0.00 -0.45 0.00 0.00 34.95 31.79 1dq8 s ARG 630 CO 0.13 -1.14 1.98 -0.11 -0.68 0.00 0.00 175.30 175.49 1dq8 n LEU 631 N 3.55 3.10 -0.06 2.53 7.94 -1.26 -3.86 117.00 128.94 1dq8 n LEU 631 Ca 0.07 0.76 -0.06 0.00 -1.11 0.00 0.00 56.01 55.68 1dq8 n LEU 631 Cb 0.34 -1.36 -0.05 0.00 0.53 0.00 0.00 43.42 42.89 1dq8 n LEU 631 CO 0.25 -0.29 0.01 1.56 -1.11 0.00 0.00 177.39 177.81 1dq8 h GLN 632 N 10.52 0.00 -3.11 1.96 4.20 -1.28 -3.49 115.11 123.91 1dq8 h GLN 632 Ca -0.43 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.24 1dq8 h GLN 632 Cb 1.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1dq8 h GLN 632 CO 0.97 0.35 0.23 -1.59 -0.67 0.00 0.00 178.83 178.11 1dq8 s LYS 633 N -1.90 2.19 -0.03 1.46 -2.85 -1.22 -5.04 119.74 112.34 1dq8 s LYS 633 Ca -0.10 -1.46 0.03 0.00 -1.00 0.00 0.00 55.97 53.45 1dq8 s LYS 633 Cb 0.00 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1dq8 s LYS 633 CO 0.27 -1.02 -0.11 -0.51 0.10 0.00 0.00 175.35 174.08 1dq8 s LEU 634 N -3.08 1.83 -0.13 2.77 1.43 -1.26 -2.27 118.68 117.97 1dq8 s LEU 634 Ca 0.17 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1dq8 s LEU 634 Cb -0.05 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1dq8 s LEU 634 CO 0.12 0.09 -0.18 -2.28 0.23 0.00 0.00 176.35 174.33 1dq8 s HIS 635 N 0.14 2.33 0.00 0.29 5.65 -0.97 -4.96 115.29 117.77 1dq8 s HIS 635 Ca -0.03 -1.19 0.08 0.00 0.25 0.00 0.00 55.06 54.17 1dq8 s HIS 635 Cb -0.09 -1.64 -0.02 0.00 -1.18 0.00 0.00 32.58 29.65 1dq8 s HIS 635 CO 0.01 -0.59 -0.25 0.95 -0.65 0.00 0.00 174.74 174.21 1dq8 s THR 636 N 1.03 2.16 -0.02 0.89 -4.23 -1.26 -0.39 115.64 113.82 1dq8 s THR 636 Ca -0.04 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1dq8 s THR 636 Cb -0.15 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 1dq8 s THR 636 CO -0.04 0.50 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.90 1dq8 s SER 637 N -0.86 1.20 -0.05 3.99 0.15 -0.06 -5.00 113.70 113.08 1dq8 s SER 637 Ca 0.11 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1dq8 s SER 637 Cb -0.10 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1dq8 s SER 637 CO 0.00 0.09 0.01 -0.63 1.20 0.00 0.00 173.24 173.91 1dq8 s ILE 638 N 0.04 4.32 -0.42 6.45 -1.09 -1.26 -0.41 121.20 128.83 1dq8 s ILE 638 Ca -0.01 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 1dq8 s ILE 638 Cb -0.07 -2.87 0.16 0.00 -1.58 0.00 0.00 42.46 38.10 1dq8 s ILE 638 CO 0.00 0.50 0.30 0.00 -1.23 0.00 0.00 174.94 174.52 1dq8 s ALA 639 N -0.99 1.51 0.00 9.38 0.00 -0.88 -5.00 121.76 125.79 1dq8 s ALA 639 Ca 0.16 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1dq8 s ALA 639 Cb -0.11 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1dq8 s ALA 639 CO 0.06 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.20 1dq8 n GLY 640 N 3.20 3.41 0.00 0.00 0.00 -1.26 -1.37 105.19 109.17 1dq8 n GLY 640 Ca 0.22 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.27 1dq8 n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dq8 n ARG 641 N 13.59 0.10 -2.63 1.61 1.85 -1.26 -4.39 116.66 125.53 1dq8 n ARG 641 Ca 0.00 -0.01 -0.32 0.00 -1.00 0.00 0.00 57.85 56.52 1dq8 n ARG 641 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 1dq8 n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1dq8 s ASN 642 N -2.91 6.77 -0.05 2.89 -0.87 -0.47 -1.70 114.94 118.60 1dq8 s ASN 642 Ca 0.17 1.60 -0.01 0.00 -1.57 0.00 0.00 52.86 53.05 1dq8 s ASN 642 Cb 0.19 -2.51 0.03 0.00 -0.02 0.00 0.00 41.25 38.94 1dq8 s ASN 642 CO 0.53 -0.47 0.03 -0.22 -2.57 0.00 0.00 177.10 174.40 1dq8 s LEU 643 N -3.63 0.51 -0.21 0.60 2.96 -0.20 -2.07 118.68 116.64 1dq8 s LEU 643 Ca 0.60 0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1dq8 s LEU 643 Cb -0.10 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 1dq8 s LEU 643 CO 0.23 -0.20 0.04 -0.31 -1.32 0.00 0.00 176.35 174.79 1dq8 s TYR 644 N 1.86 3.10 -0.19 5.38 1.51 0.45 -0.90 117.35 128.56 1dq8 s TYR 644 Ca 0.02 -0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1dq8 s TYR 644 Cb -0.12 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1dq8 s TYR 644 CO -0.04 -0.17 -0.16 0.42 -1.11 0.00 0.00 175.55 174.49 1dq8 s ILE 645 N 1.03 2.43 -0.44 2.71 1.01 -1.03 -0.88 121.20 126.03 1dq8 s ILE 645 Ca 0.03 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 1dq8 s ILE 645 Cb -0.14 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1dq8 s ILE 645 CO 0.02 0.51 0.38 -0.60 0.00 0.00 0.00 174.94 175.25 1dq8 s ARG 646 N 1.30 3.00 -0.09 2.79 3.52 0.47 -3.04 118.95 126.91 1dq8 s ARG 646 Ca 0.04 -1.10 -0.20 0.00 -0.13 0.00 0.00 55.73 54.35 1dq8 s ARG 646 Cb -0.13 -4.05 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 1dq8 s ARG 646 CO -0.10 -0.90 0.55 -0.06 -0.81 0.00 0.00 175.30 173.98 1dq8 s PHE 647 N 1.80 3.55 -0.06 5.12 0.40 -0.27 -2.28 117.98 126.24 1dq8 s PHE 647 Ca 0.06 1.02 0.03 0.00 -0.60 0.00 0.00 56.93 57.44 1dq8 s PHE 647 Cb -0.21 -2.62 0.01 0.00 0.51 0.00 0.00 43.02 40.71 1dq8 s PHE 647 CO 0.09 0.17 -0.15 -1.14 0.70 0.00 0.00 175.22 174.89 1dq8 s GLN 648 N 0.58 1.83 0.00 0.44 0.74 -0.96 -1.79 119.66 120.51 1dq8 s GLN 648 Ca 0.30 -0.51 -0.20 0.00 0.05 0.00 0.00 55.36 55.00 1dq8 s GLN 648 Cb -0.16 -1.52 0.04 0.00 1.10 0.00 0.00 33.01 32.47 1dq8 s GLN 648 CO 0.13 0.11 0.43 0.45 -0.55 0.00 0.00 175.29 175.86 1dq8 s SER 649 N 0.42 -0.33 1.04 6.67 0.15 -0.29 -0.67 113.70 120.69 1dq8 s SER 649 Ca -0.11 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.59 1dq8 s SER 649 Cb -0.14 0.41 0.21 0.00 -1.71 0.00 0.00 66.02 64.79 1dq8 s SER 649 CO 0.04 -0.58 1.08 -0.13 1.20 0.00 0.00 173.24 174.85 1dq8 s ARG 650 N -1.81 0.10 -0.01 5.44 1.81 -1.25 -1.05 118.95 122.19 1dq8 s ARG 650 Ca -0.09 0.58 0.06 0.00 -1.72 0.00 0.00 55.73 54.56 1dq8 s ARG 650 Cb -0.02 -1.69 0.11 0.00 -0.45 0.00 0.00 34.95 32.89 1dq8 s ARG 650 CO 0.03 -2.97 1.05 -1.13 -0.68 0.00 0.00 175.30 171.60 1dq8 n SER 651 N -4.35 -0.53 0.00 0.23 3.41 -1.26 -4.32 113.62 106.79 1dq8 n SER 651 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1dq8 n SER 651 Cb 0.57 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1dq8 n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dq8 n GLY 652 N 0.08 2.55 1.00 5.00 0.00 -1.26 -2.46 105.19 110.11 1dq8 n GLY 652 Ca -0.20 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1dq8 n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dq8 n ASP 653 N 2.78 2.98 -4.88 1.61 8.00 -1.26 -3.77 116.55 122.01 1dq8 n ASP 653 Ca 0.00 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.27 1dq8 n ASP 653 Cb 0.00 -0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 1dq8 n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dq8 s ALA 654 N -1.56 3.53 0.47 2.24 0.00 -1.03 0.22 121.76 125.62 1dq8 s ALA 654 Ca 0.37 -0.34 0.21 0.00 0.00 0.00 0.00 51.96 52.20 1dq8 s ALA 654 Cb 0.21 -2.46 1.30 0.00 0.00 0.00 0.00 23.12 22.18 1dq8 s ALA 654 CO 0.30 0.30 2.08 1.98 0.00 0.00 0.00 175.76 180.42 1dq8 h MET 655 N 1.97 0.00 -0.20 0.00 4.05 -1.76 -3.44 114.93 115.54 1dq8 h MET 655 Ca -0.47 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 58.86 1dq8 h MET 655 Cb 1.18 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 1dq8 h MET 655 CO 0.67 0.12 -0.08 0.41 0.23 0.00 0.00 176.91 178.25 1dq8 n GLY 656 N -1.02 0.70 0.21 1.39 0.00 -1.26 -4.74 105.19 100.47 1dq8 n GLY 656 Ca -0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 1dq8 n GLY 656 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1dq8 h MET 657 N 0.22 0.68 0.05 1.61 4.05 -1.95 -1.62 114.93 117.98 1dq8 h MET 657 Ca -0.09 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1dq8 h MET 657 Cb 0.37 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1dq8 h MET 657 CO 0.13 0.55 -0.02 -0.91 0.23 0.00 0.00 176.91 176.88 1dq8 h ASN 658 N 0.64 -0.05 -0.14 1.39 4.21 -1.99 -1.34 115.58 118.28 1dq8 h ASN 658 Ca 0.17 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1dq8 h ASN 658 Cb 0.08 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1dq8 h ASN 658 CO -0.02 0.07 0.08 -0.03 -1.29 0.00 0.00 177.43 176.24 1dq8 h MET 659 N -0.18 0.17 -0.72 0.81 4.05 -1.95 -1.98 114.93 115.13 1dq8 h MET 659 Ca -0.01 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1dq8 h MET 659 Cb 0.16 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1dq8 h MET 659 CO 0.01 0.11 0.30 0.82 0.23 0.00 0.00 176.91 178.38 1dq8 h ILE 660 N 0.17 1.25 -0.58 1.77 1.08 -1.27 -0.30 117.51 119.63 1dq8 h ILE 660 Ca 0.05 -0.76 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1dq8 h ILE 660 Cb -0.01 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.11 1dq8 h ILE 660 CO -0.03 0.31 0.37 0.28 -0.69 0.00 0.00 178.15 178.39 1dq8 h SER 661 N 1.02 0.62 -0.36 1.72 0.02 -1.04 0.19 113.55 115.73 1dq8 h SER 661 Ca 0.24 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1dq8 h SER 661 Cb 0.19 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1dq8 h SER 661 CO -0.02 0.44 -0.20 0.11 -1.14 0.00 0.00 176.83 176.02 1dq8 h LYS 662 N 0.74 0.84 -0.03 3.45 1.57 -1.05 -0.98 116.57 121.11 1dq8 h LYS 662 Ca 0.23 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 1dq8 h LYS 662 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1dq8 h LYS 662 CO -0.08 0.97 -0.40 0.78 -0.57 0.00 0.00 179.45 180.15 1dq8 h GLY 663 N 0.95 0.07 0.83 3.86 0.00 -0.56 -2.53 103.07 105.68 1dq8 h GLY 663 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1dq8 h GLY 663 CO 0.06 0.06 -0.17 -0.84 0.00 0.00 0.00 176.54 175.65 1dq8 h THR 664 N 0.05 1.32 -0.40 4.70 2.02 -0.15 -2.56 112.91 117.89 1dq8 h THR 664 Ca 0.00 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1dq8 h THR 664 Cb 0.74 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1dq8 h THR 664 CO 0.05 0.40 0.21 -0.33 0.37 0.00 0.00 175.52 176.22 1dq8 h GLU 665 N 0.16 0.42 -0.49 6.66 5.08 -0.98 -0.66 114.58 124.76 1dq8 h GLU 665 Ca 0.04 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1dq8 h GLU 665 Cb 0.70 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1dq8 h GLU 665 CO 0.04 0.28 0.02 -0.22 -1.00 0.00 0.00 179.01 178.13 1dq8 h LYS 666 N 0.43 0.81 -0.12 2.33 3.64 -1.47 -2.42 116.57 119.76 1dq8 h LYS 666 Ca 0.17 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1dq8 h LYS 666 Cb 0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1dq8 h LYS 666 CO -0.10 0.80 -0.58 0.00 -2.27 0.00 0.00 179.45 177.30 1dq8 h ALA 667 N 1.26 0.78 -0.44 5.00 0.00 -1.10 -2.27 119.26 122.49 1dq8 h ALA 667 Ca 0.15 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1dq8 h ALA 667 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1dq8 h ALA 667 CO 0.02 0.71 -0.04 -0.07 0.00 0.00 0.00 179.25 179.86 1dq8 h LEU 668 N 0.29 0.71 -0.44 0.00 3.38 -0.79 0.40 115.31 118.86 1dq8 h LEU 668 Ca -0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1dq8 h LEU 668 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1dq8 h LEU 668 CO 0.10 0.81 -0.30 0.77 0.09 0.00 0.00 178.44 179.91 1dq8 h SER 669 N 0.69 1.02 -0.13 -0.43 4.64 -1.29 -0.12 113.55 117.92 1dq8 h SER 669 Ca 0.13 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1dq8 h SER 669 Cb 0.48 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1dq8 h SER 669 CO 0.02 1.23 0.07 0.50 -0.87 0.00 0.00 176.83 177.79 1dq8 h LYS 670 N 0.81 0.15 -0.79 4.77 1.63 -0.97 -0.94 116.57 121.23 1dq8 h LYS 670 Ca 0.09 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.96 1dq8 h LYS 670 Cb 0.89 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.43 1dq8 h LYS 670 CO 0.08 0.10 0.52 1.25 -3.45 0.00 0.00 179.45 177.95 1dq8 h LEU 671 N 0.16 0.70 -1.81 5.20 5.85 -0.72 -0.61 115.31 124.08 1dq8 h LEU 671 Ca 0.05 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1dq8 h LEU 671 Cb -0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1dq8 h LEU 671 CO -0.03 0.43 -0.13 -0.74 -0.34 0.00 0.00 178.44 177.63 1dq8 h HIS 672 N 0.78 0.00 -0.18 1.25 2.76 0.35 -0.76 115.15 119.36 1dq8 h HIS 672 Ca 0.35 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.43 1dq8 h HIS 672 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 1dq8 h HIS 672 CO -0.00 0.13 -0.30 0.93 -1.30 0.00 0.00 177.93 177.40 1dq8 h GLU 673 N 0.00 0.34 0.00 5.26 5.08 -0.54 -1.26 114.58 123.46 1dq8 h GLU 673 Ca -0.00 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 1dq8 h GLU 673 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1dq8 h GLU 673 CO 0.02 0.61 -0.98 1.88 -1.00 0.00 0.00 179.01 179.54 1dq8 h TYR 674 N 0.30 0.00 -2.49 4.33 -1.99 -1.29 -3.40 116.97 112.44 1dq8 h TYR 674 Ca 0.04 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.18 1dq8 h TYR 674 Cb 0.68 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.02 1dq8 h TYR 674 CO 0.02 0.64 -0.88 1.19 -0.00 0.00 0.00 178.16 179.13 1dq8 n PHE 675 N -3.12 0.37 0.31 4.88 3.01 -0.39 -4.98 117.46 117.55 1dq8 n PHE 675 Ca -0.04 -3.62 0.18 0.00 1.01 0.00 0.00 57.45 54.99 1dq8 n PHE 675 Cb 0.83 -0.06 1.04 0.00 -0.01 0.00 0.00 39.48 41.28 1dq8 n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dq8 h PRO 676 N 5.32 0.00 0.00 -1.08 0.13 -1.45 -1.21 132.00 133.71 1dq8 h PRO 676 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1dq8 h PRO 676 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1dq8 h PRO 676 CO 0.49 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 1dq8 n GLU 677 N -3.50 0.81 -2.76 0.86 1.02 -1.26 -4.80 120.64 111.01 1dq8 n GLU 677 Ca -0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 1dq8 n GLU 677 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1dq8 n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1dq8 s MET 678 N -2.12 4.36 -0.23 3.49 1.75 -0.46 -4.41 119.30 121.69 1dq8 s MET 678 Ca 0.41 1.25 -0.12 0.00 -1.25 0.00 0.00 55.69 55.98 1dq8 s MET 678 Cb 0.20 -3.57 -0.05 0.00 2.84 0.00 0.00 34.83 34.26 1dq8 s MET 678 CO 0.36 -0.36 0.23 -1.14 -0.65 0.00 0.00 175.02 173.46 1dq8 s GLN 679 N 2.21 4.11 -0.59 4.11 0.74 0.55 -4.93 119.66 125.86 1dq8 s GLN 679 Ca 0.44 -0.12 -0.23 0.00 0.05 0.00 0.00 55.36 55.50 1dq8 s GLN 679 Cb -0.17 -3.53 0.05 0.00 1.10 0.00 0.00 33.01 30.46 1dq8 s GLN 679 CO 0.14 0.05 0.92 0.42 -0.55 0.00 0.00 175.29 176.27 1dq8 s ILE 680 N 1.08 4.41 0.04 -2.34 1.01 -1.26 -0.24 121.20 123.91 1dq8 s ILE 680 Ca 0.11 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 1dq8 s ILE 680 Cb -0.14 -4.57 -0.21 0.00 0.01 0.00 0.00 42.46 37.55 1dq8 s ILE 680 CO 0.05 -1.21 1.17 0.25 0.00 0.00 0.00 174.94 175.20 1dq8 h LEU 681 N 10.99 0.68 -7.00 2.97 5.85 -1.73 -3.48 115.31 123.59 1dq8 h LEU 681 Ca -0.27 -0.71 0.06 0.00 0.84 0.00 0.00 57.88 57.79 1dq8 h LEU 681 Cb 1.07 -0.21 -0.26 0.00 0.37 0.00 0.00 40.66 41.64 1dq8 h LEU 681 CO 1.11 1.30 0.39 0.00 -0.34 0.00 0.00 178.44 180.90 1dq8 s ALA 682 N -3.40 -2.01 0.52 1.25 0.00 -1.12 -5.01 121.76 111.99 1dq8 s ALA 682 Ca -0.12 1.98 0.20 0.00 0.00 0.00 0.00 51.96 54.03 1dq8 s ALA 682 Cb 0.05 -1.47 1.31 0.00 0.00 0.00 0.00 23.12 23.01 1dq8 s ALA 682 CO 0.85 -0.27 2.05 0.28 0.00 0.00 0.00 175.76 178.67 1dq8 h VAL 683 N 3.97 0.85 -3.66 0.00 2.07 -1.92 -2.35 116.25 115.22 1dq8 h VAL 683 Ca -0.28 -0.02 -0.63 0.00 0.82 0.00 0.00 66.70 66.59 1dq8 h VAL 683 Cb 1.18 0.80 -0.37 0.00 -1.52 0.00 0.00 31.29 31.38 1dq8 h VAL 683 CO 0.12 0.01 -0.80 -0.55 0.02 0.00 0.00 177.57 176.37 1dq8 s SER 684 N -6.55 3.95 -0.23 0.57 0.15 -1.26 -2.67 113.70 107.66 1dq8 s SER 684 Ca -0.05 -1.18 0.14 0.00 0.70 0.00 0.00 55.95 55.56 1dq8 s SER 684 Cb 0.19 -1.32 0.71 0.00 -1.71 0.00 0.00 66.02 63.88 1dq8 s SER 684 CO 0.71 -0.20 1.64 0.61 1.20 0.00 0.00 173.24 177.20 1dq8 n GLY 685 N 4.59 3.48 2.26 9.45 0.00 0.05 -4.74 105.19 120.28 1dq8 n GLY 685 Ca -0.13 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1dq8 n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dq8 n ASN 686 N 0.11 -4.06 -1.14 1.61 4.13 -1.24 -4.81 115.26 109.86 1dq8 n ASN 686 Ca 0.27 0.20 0.12 0.00 1.68 0.00 0.00 54.58 56.85 1dq8 n ASN 686 Cb 1.11 -2.28 0.21 0.00 -1.54 0.00 0.00 39.78 37.29 1dq8 n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1dq8 n TYR 687 N -2.74 0.50 0.42 3.10 9.36 -1.16 -4.65 117.16 122.00 1dq8 n TYR 687 Ca -0.08 -0.26 -0.16 0.00 3.32 0.00 0.00 57.90 60.72 1dq8 n TYR 687 Cb 0.28 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.91 1dq8 n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dq8 s THR 689 N -5.21 4.00 -0.24 0.00 2.01 -1.26 -4.70 115.64 110.24 1dq8 s THR 689 Ca -0.16 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 1dq8 s THR 689 Cb 0.02 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1dq8 s THR 689 CO 0.47 0.53 0.13 -0.62 -0.69 0.00 0.00 174.62 174.44 1dq8 s ASP 690 N -0.09 5.82 -1.87 3.53 2.15 -1.26 -4.63 116.67 120.32 1dq8 s ASP 690 Ca 0.02 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1dq8 s ASP 690 Cb -0.13 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1dq8 s ASP 690 CO 0.02 0.04 0.00 0.29 -0.17 0.00 0.00 175.17 175.35 1dq8 n LYS 691 N 4.47 -1.60 -4.11 4.34 5.02 -1.26 -4.99 118.16 120.02 1dq8 n LYS 691 Ca -0.15 1.05 -0.14 0.00 -2.02 0.00 0.00 58.31 57.04 1dq8 n LYS 691 Cb 0.52 -5.56 -0.13 0.00 -0.02 0.00 0.00 35.03 29.84 1dq8 n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dq8 s LYS 692 N -4.34 0.49 0.25 1.97 3.01 -1.26 -4.94 119.74 114.91 1dq8 s LYS 692 Ca 0.00 -0.50 -0.30 0.00 -1.01 0.00 0.00 55.97 54.16 1dq8 s LYS 692 Cb 0.00 -0.36 -0.10 0.00 -1.01 0.00 0.00 37.83 36.37 1dq8 s LYS 692 CO 0.00 0.08 1.33 -1.25 0.51 0.00 0.00 175.35 176.02 1dq8 s PRO 693 N -0.92 4.36 -0.20 -1.68 0.04 -1.26 -4.72 135.00 130.63 1dq8 s PRO 693 Ca -0.04 2.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1dq8 s PRO 693 Cb -0.06 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.39 1dq8 s PRO 693 CO 0.00 -0.25 0.52 0.00 0.04 0.00 0.00 177.00 177.31 1dq8 s ALA 694 N -0.32 -1.30 0.41 8.56 0.00 -1.26 -5.03 121.76 122.81 1dq8 s ALA 694 Ca 0.55 1.50 0.15 0.00 0.00 0.00 0.00 51.96 54.15 1dq8 s ALA 694 Cb -0.38 -0.87 0.91 0.00 0.00 0.00 0.00 23.12 22.77 1dq8 s ALA 694 CO 0.44 -0.25 1.92 0.00 0.00 0.00 0.00 175.76 177.87 1dq8 h ALA 695 N 5.42 1.52 -0.65 0.00 0.00 -1.94 -2.91 119.26 120.70 1dq8 h ALA 695 Ca -0.28 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1dq8 h ALA 695 Cb 1.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1dq8 h ALA 695 CO 0.18 0.33 0.43 0.97 0.00 0.00 0.00 179.25 181.16 1dq8 h ILE 696 N 0.00 1.13 -0.23 0.00 2.10 -1.98 0.87 117.51 119.40 1dq8 h ILE 696 Ca -0.00 -0.28 -0.14 0.00 1.08 0.00 0.00 64.86 65.52 1dq8 h ILE 696 Cb 0.48 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1dq8 h ILE 696 CO 0.03 0.15 -0.42 0.78 -1.08 0.00 0.00 178.15 177.61 1dq8 h ASN 697 N 0.83 0.59 -0.30 2.19 2.35 -1.78 0.18 115.58 119.65 1dq8 h ASN 697 Ca 0.25 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1dq8 h ASN 697 Cb -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1dq8 h ASN 697 CO -0.06 0.94 -0.12 -0.25 -1.65 0.00 0.00 177.43 176.28 1dq8 h TRP 698 N 0.46 0.70 0.21 1.19 2.91 -1.28 -0.16 115.95 119.98 1dq8 h TRP 698 Ca 0.04 -0.17 -0.32 0.00 1.13 0.00 0.00 58.89 59.56 1dq8 h TRP 698 Cb 0.92 -0.16 0.02 0.00 -0.51 0.00 0.00 29.16 29.43 1dq8 h TRP 698 CO 0.04 0.83 -1.50 0.82 -1.03 0.00 0.00 178.44 177.60 1dq8 h ILE 699 N 0.37 1.17 0.00 2.65 2.04 -0.80 -3.38 117.51 119.55 1dq8 h ILE 699 Ca 0.07 -2.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.31 1dq8 h ILE 699 Cb 0.64 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1dq8 h ILE 699 CO 0.04 0.81 -1.64 -0.62 0.00 0.00 0.00 178.15 176.74 1dq8 n GLU 700 N -3.74 0.64 0.00 2.37 4.71 0.64 -5.09 120.64 120.17 1dq8 n GLU 700 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 56.89 1dq8 n GLU 700 Cb 1.05 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 1dq8 n GLU 700 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dq8 n GLY 701 N 1.25 -0.89 3.64 0.62 0.00 -0.07 -5.02 105.19 104.72 1dq8 n GLY 701 Ca -0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 1dq8 n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dq8 s ARG 702 N -2.51 0.52 6.51 1.61 3.52 -1.06 -4.66 118.95 122.88 1dq8 s ARG 702 Ca 0.00 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1dq8 s ARG 702 Cb 0.00 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 1dq8 s ARG 702 CO 0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 1dq8 n GLY 703 N 3.99 1.08 3.74 8.12 0.00 -0.52 -3.05 105.19 118.55 1dq8 n GLY 703 Ca -0.19 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1dq8 n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dq8 s LYS 704 N 0.00 4.17 -0.22 1.61 3.01 0.39 -0.90 119.74 127.80 1dq8 s LYS 704 Ca 0.00 -0.08 -0.08 0.00 -1.01 0.00 0.00 55.97 54.80 1dq8 s LYS 704 Cb 0.00 -3.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 1dq8 s LYS 704 CO 0.00 0.31 0.09 -1.12 0.51 0.00 0.00 175.35 175.14 1dq8 s SER 705 N 0.30 5.65 0.06 2.83 0.01 -0.68 -0.60 113.70 121.26 1dq8 s SER 705 Ca 0.12 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1dq8 s SER 705 Cb -0.12 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 1dq8 s SER 705 CO 0.01 0.09 -0.08 -0.69 0.41 0.00 0.00 173.24 172.98 1dq8 s VAL 706 N 0.88 0.60 -0.01 3.43 1.01 0.14 0.21 120.40 126.66 1dq8 s VAL 706 Ca 0.05 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1dq8 s VAL 706 Cb -0.13 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1dq8 s VAL 706 CO 0.03 -0.49 -0.04 0.54 0.00 0.00 0.00 175.10 175.13 1dq8 s VAL 707 N -1.91 0.38 0.11 2.92 0.11 -0.81 -0.34 120.40 120.86 1dq8 s VAL 707 Ca -0.04 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1dq8 s VAL 707 Cb -0.06 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1dq8 s VAL 707 CO -0.01 0.12 -0.01 0.00 -3.33 0.00 0.00 175.10 171.87 1dq8 s GLU 709 N -3.92 1.44 -0.01 0.00 -1.05 0.66 -1.88 118.70 113.93 1dq8 s GLU 709 Ca 0.17 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 53.93 1dq8 s GLU 709 Cb 0.07 0.56 0.10 0.00 -0.44 0.00 0.00 34.13 34.42 1dq8 s GLU 709 CO -0.02 -0.63 0.88 0.00 0.95 0.00 0.00 175.26 176.44 1dq8 s ALA 710 N -3.84 -1.82 -0.16 -0.84 0.00 -0.76 -0.75 121.76 113.59 1dq8 s ALA 710 Ca 0.07 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1dq8 s ALA 710 Cb -0.02 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1dq8 s ALA 710 CO -0.04 -0.66 -0.20 0.08 0.00 0.00 0.00 175.76 174.93 1dq8 s VAL 711 N -3.00 2.12 -0.30 0.00 1.01 -1.26 -1.44 120.40 117.54 1dq8 s VAL 711 Ca 0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1dq8 s VAL 711 Cb -0.01 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1dq8 s VAL 711 CO -0.08 0.54 0.14 -0.63 0.00 0.00 0.00 175.10 175.07 1dq8 s ILE 712 N 1.04 4.64 0.36 2.22 -1.09 0.21 -4.55 121.20 124.04 1dq8 s ILE 712 Ca -0.01 -0.30 -0.26 0.00 -2.23 0.00 0.00 60.65 57.85 1dq8 s ILE 712 Cb -0.14 -3.31 -0.12 0.00 -1.58 0.00 0.00 42.46 37.30 1dq8 s ILE 712 CO -0.07 0.14 1.09 -2.65 -1.23 0.00 0.00 174.94 172.22 1dq8 n PRO 713 N 4.98 1.58 -0.34 2.79 -0.02 -1.26 -0.17 135.00 142.57 1dq8 n PRO 713 Ca -0.14 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1dq8 n PRO 713 Cb 0.50 -2.07 0.31 0.00 -0.02 0.00 0.00 33.50 32.22 1dq8 n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dq8 h ALA 714 N 1.97 1.59 -0.52 3.55 0.00 -1.92 0.41 119.26 124.33 1dq8 h ALA 714 Ca -0.43 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1dq8 h ALA 714 Cb 1.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1dq8 h ALA 714 CO 0.60 -0.11 0.08 -0.22 0.00 0.00 0.00 179.25 179.60 1dq8 h LYS 715 N 0.68 0.82 -0.18 0.00 3.64 -1.89 -2.21 116.57 117.43 1dq8 h LYS 715 Ca 0.56 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 59.58 1dq8 h LYS 715 Cb 0.91 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1dq8 h LYS 715 CO -0.41 0.77 -0.62 0.28 -2.27 0.00 0.00 179.45 177.20 1dq8 h VAL 716 N 0.78 1.32 -0.73 2.00 2.07 -1.32 -0.39 116.25 119.98 1dq8 h VAL 716 Ca 0.17 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.82 1dq8 h VAL 716 Cb 0.35 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1dq8 h VAL 716 CO 0.01 0.59 0.47 0.58 0.02 0.00 0.00 177.57 179.23 1dq8 h VAL 717 N 0.45 1.14 0.05 2.57 2.07 -0.79 0.05 116.25 121.80 1dq8 h VAL 717 Ca -0.01 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1dq8 h VAL 717 Cb 1.19 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1dq8 h VAL 717 CO 0.12 0.17 -0.02 0.03 0.02 0.00 0.00 177.57 177.89 1dq8 h ARG 718 N 0.94 -0.06 0.07 1.57 3.08 -1.22 -1.49 114.38 117.28 1dq8 h ARG 718 Ca 0.28 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.05 1dq8 h ARG 718 Cb -0.05 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.04 1dq8 h ARG 718 CO -0.08 0.48 -1.15 0.93 -1.07 0.00 0.00 179.97 179.08 1dq8 h GLU 719 N -0.65 0.60 0.03 0.04 5.08 -1.01 -1.74 114.58 116.93 1dq8 h GLU 719 Ca -0.01 -0.74 -0.21 0.00 -1.00 0.00 0.00 59.36 57.40 1dq8 h GLU 719 Cb 0.57 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1dq8 h GLU 719 CO 0.01 1.32 -1.16 0.28 -1.00 0.00 0.00 179.01 178.47 1dq8 h VAL 720 N 0.29 1.04 0.00 3.13 2.07 -1.16 -3.39 116.25 118.22 1dq8 h VAL 720 Ca -0.16 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1dq8 h VAL 720 Cb 1.82 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 1dq8 h VAL 720 CO 0.22 0.45 -0.42 0.18 0.02 0.00 0.00 177.57 178.02 1dq8 n LEU 721 N -4.32 0.49 -3.02 2.57 4.77 -0.93 -4.98 117.00 111.58 1dq8 n LEU 721 Ca -0.28 0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 1dq8 n LEU 721 Cb 0.71 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1dq8 n LEU 721 CO 0.26 0.03 -0.01 0.29 -1.33 0.00 0.00 177.39 176.63 1dq8 n LYS 722 N -1.74 -4.87 -0.33 3.23 4.76 -0.61 -4.63 118.16 113.97 1dq8 n LYS 722 Ca 0.05 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1dq8 n LYS 722 Cb 0.37 -5.78 0.00 0.00 -1.84 0.00 0.00 35.03 27.79 1dq8 n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1dq8 n THR 723 N -4.52 0.00 -4.36 -0.18 5.66 -1.11 -4.72 114.28 105.05 1dq8 n THR 723 Ca -0.12 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.70 1dq8 n THR 723 Cb 0.62 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.30 1dq8 n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dq8 s THR 724 N -2.31 1.38 0.15 1.09 -4.23 -1.26 -3.20 115.64 107.25 1dq8 s THR 724 Ca 0.00 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.28 1dq8 s THR 724 Cb 0.00 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.58 1dq8 s THR 724 CO 0.00 -0.39 1.69 0.74 -0.54 0.00 0.00 174.62 176.11 1dq8 h THR 725 N 2.44 1.22 -0.33 3.99 2.02 -1.91 -2.06 112.91 118.29 1dq8 h THR 725 Ca -0.39 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.10 1dq8 h THR 725 Cb 1.22 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1dq8 h THR 725 CO 0.65 0.27 0.13 -0.08 0.37 0.00 0.00 175.52 176.86 1dq8 h GLU 726 N 0.67 0.27 -0.72 6.66 4.81 -1.93 -1.32 114.58 123.02 1dq8 h GLU 726 Ca 0.16 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1dq8 h GLU 726 Cb 0.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1dq8 h GLU 726 CO -0.01 0.18 0.20 0.00 -0.73 0.00 0.00 179.01 178.65 1dq8 h ALA 727 N 1.20 1.00 -0.35 2.92 0.00 -1.93 -1.92 119.26 120.18 1dq8 h ALA 727 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1dq8 h ALA 727 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1dq8 h ALA 727 CO -0.13 0.66 0.19 0.52 0.00 0.00 0.00 179.25 180.49 1dq8 h MET 728 N 1.08 0.38 -0.44 0.00 2.86 -1.06 -1.23 114.93 116.52 1dq8 h MET 728 Ca 0.23 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1dq8 h MET 728 Cb 0.33 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1dq8 h MET 728 CO -0.00 0.25 0.15 0.82 1.06 0.00 0.00 176.91 179.18 1dq8 h ILE 729 N 0.39 1.22 -0.56 -1.22 2.04 -0.97 0.33 117.51 118.74 1dq8 h ILE 729 Ca 0.14 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1dq8 h ILE 729 Cb 0.03 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1dq8 h ILE 729 CO -0.08 0.25 0.31 -0.08 0.00 0.00 0.00 178.15 178.55 1dq8 h GLU 730 N 0.56 0.79 -0.50 2.37 4.57 -1.20 -1.14 114.58 120.02 1dq8 h GLU 730 Ca 0.14 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1dq8 h GLU 730 Cb 0.25 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1dq8 h GLU 730 CO -0.01 0.60 -0.19 0.28 -1.18 0.00 0.00 179.01 178.52 1dq8 h VAL 731 N 0.76 1.27 -0.01 0.32 2.07 -0.97 -2.47 116.25 117.21 1dq8 h VAL 731 Ca 0.20 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1dq8 h VAL 731 Cb 0.05 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1dq8 h VAL 731 CO -0.03 0.47 -0.01 -1.13 0.02 0.00 0.00 177.57 176.89 1dq8 h ASN 732 N 0.88 -0.03 -0.14 0.57 -1.24 -0.58 -0.53 115.58 114.51 1dq8 h ASN 732 Ca 0.12 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1dq8 h ASN 732 Cb 0.77 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 1dq8 h ASN 732 CO 0.06 -0.02 0.08 0.40 -1.29 0.00 0.00 177.43 176.67 1dq8 h ILE 733 N -0.02 1.09 0.00 2.57 2.04 -1.23 -0.38 117.51 121.58 1dq8 h ILE 733 Ca 0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1dq8 h ILE 733 Cb 0.03 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1dq8 h ILE 733 CO -0.02 0.08 0.00 0.78 0.00 0.00 0.00 178.15 179.00 1dq8 h ASN 734 N 0.14 0.00 0.00 1.72 2.35 -1.29 0.11 115.58 118.61 1dq8 h ASN 734 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1dq8 h ASN 734 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1dq8 h ASN 734 CO -0.01 0.00 -0.67 1.17 -1.65 0.00 0.00 177.43 176.27 1dq8 n LYS 735 N -2.59 0.36 0.18 0.81 4.81 -0.22 -1.68 118.16 119.82 1dq8 n LYS 735 Ca 0.04 0.14 0.04 0.00 -0.87 0.00 0.00 58.31 57.67 1dq8 n LYS 735 Cb 0.43 -1.11 0.33 0.00 0.02 0.00 0.00 35.03 34.70 1dq8 n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1dq8 h ASN 736 N -0.67 0.00 0.00 3.14 2.35 -1.20 -2.24 115.58 116.95 1dq8 h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dq8 h ASN 736 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1dq8 h ASN 736 CO 0.00 0.40 -0.43 0.18 -1.65 0.00 0.00 177.43 175.93 1dq8 n LEU 737 N -3.66 0.87 -0.10 1.61 4.77 -0.82 -4.38 117.00 115.28 1dq8 n LEU 737 Ca -0.01 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1dq8 n LEU 737 Cb 0.50 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1dq8 n LEU 737 CO 0.38 -0.41 0.71 0.58 -1.33 0.00 0.00 177.39 177.32 1dq8 h VAL 738 N -0.43 1.28 -0.04 4.08 2.07 -0.96 -2.04 116.25 120.21 1dq8 h VAL 738 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1dq8 h VAL 738 Cb 0.43 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1dq8 h VAL 738 CO 0.00 0.35 0.03 1.23 0.02 0.00 0.00 177.57 179.19 1dq8 h GLY 739 N 0.31 0.06 1.22 2.17 0.00 -0.91 0.02 103.07 105.94 1dq8 h GLY 739 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1dq8 h GLY 739 CO 0.03 0.02 0.47 1.76 0.00 0.00 0.00 176.54 178.81 1dq8 h SER 740 N 0.06 0.75 -0.37 0.19 0.02 -1.45 -0.42 113.55 112.32 1dq8 h SER 740 Ca 0.02 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1dq8 h SER 740 Cb -0.00 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1dq8 h SER 740 CO -0.01 0.53 0.00 0.00 -1.14 0.00 0.00 176.83 176.21 1dq8 h ALA 741 N 1.58 0.50 0.00 3.77 0.00 -0.61 -1.54 119.26 122.96 1dq8 h ALA 741 Ca 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1dq8 h ALA 741 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1dq8 h ALA 741 CO -0.07 0.26 -0.25 0.52 0.00 0.00 0.00 179.25 179.71 1dq8 h MET 742 N 0.47 0.00 -0.00 0.00 2.86 -0.06 -2.17 114.93 116.03 1dq8 h MET 742 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1dq8 h MET 742 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1dq8 h MET 742 CO 0.02 0.25 -0.06 0.00 1.06 0.00 0.00 176.91 178.18 1dq8 n ALA 743 N -2.42 2.62 -2.81 6.32 0.00 -0.26 -4.92 120.51 119.04 1dq8 n ALA 743 Ca -0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.16 1dq8 n ALA 743 Cb 0.32 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.38 1dq8 n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dq8 n GLY 744 N 1.31 0.51 3.80 0.00 0.00 -0.82 -5.02 105.19 104.97 1dq8 n GLY 744 Ca 0.13 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1dq8 n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dq8 s SER 745 N -3.09 7.11 -0.31 1.61 0.15 -0.61 -5.04 113.70 113.52 1dq8 s SER 745 Ca 0.17 1.32 -0.01 0.00 0.70 0.00 0.00 55.95 58.13 1dq8 s SER 745 Cb -0.07 -2.39 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1dq8 s SER 745 CO 0.21 0.24 0.02 -0.63 1.20 0.00 0.00 173.24 174.28 1dq8 s ILE 746 N -0.99 2.95 0.00 6.45 -1.09 -1.26 -4.67 121.20 122.60 1dq8 s ILE 746 Ca 0.31 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 1dq8 s ILE 746 Cb -0.20 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1dq8 s ILE 746 CO 0.20 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1dq8 n GLY 747 N 4.60 1.27 2.82 6.18 0.00 -1.26 -4.95 105.19 113.85 1dq8 n GLY 747 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1dq8 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 748 N -2.00 5.66 2.63 -0.02 0.00 -1.26 -1.84 105.19 108.36 1dq8 n GLY 748 Ca 0.00 -2.55 -0.36 0.00 0.00 0.00 0.00 46.02 43.11 1dq8 n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dq8 n TYR 749 N -0.48 2.43 -4.05 1.61 4.02 -0.72 -4.82 117.16 115.16 1dq8 n TYR 749 Ca 0.50 -2.38 -0.12 0.00 -0.01 0.00 0.00 57.90 55.89 1dq8 n TYR 749 Cb 0.31 -1.40 -0.05 0.00 -0.02 0.00 0.00 39.34 38.18 1dq8 n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1dq8 s ASN 750 N -0.37 0.44 -0.14 7.72 2.20 -1.22 -1.09 114.94 122.47 1dq8 s ASN 750 Ca 0.52 -1.26 -0.10 0.00 -0.94 0.00 0.00 52.86 51.08 1dq8 s ASN 750 Cb 0.31 0.62 -0.04 0.00 -2.00 0.00 0.00 41.25 40.14 1dq8 s ASN 750 CO -0.22 -1.22 -0.17 0.00 -2.94 0.00 0.00 177.10 172.55 1dq8 n ALA 751 N -0.47 0.47 -2.72 3.54 0.00 -1.26 -4.84 120.51 115.24 1dq8 n ALA 751 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.96 1dq8 n ALA 751 Cb 0.62 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.16 1dq8 n ALA 751 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1dq8 n HIS 752 N -4.61 -0.64 -0.33 0.00 1.44 -1.26 -4.94 115.22 104.88 1dq8 n HIS 752 Ca -0.08 -2.11 0.10 0.00 -2.01 0.00 0.00 57.72 53.63 1dq8 n HIS 752 Cb 0.28 0.70 0.31 0.00 0.12 0.00 0.00 29.99 31.40 1dq8 n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dq8 h ALA 753 N 2.09 1.67 -0.78 1.59 0.00 -1.89 -0.85 119.26 121.08 1dq8 h ALA 753 Ca -0.25 0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.84 1dq8 h ALA 753 Cb 1.27 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1dq8 h ALA 753 CO 0.08 0.05 0.52 0.00 0.00 0.00 0.00 179.25 179.90 1dq8 h ALA 754 N 1.59 2.05 -0.32 0.00 0.00 -1.92 -0.48 119.26 120.17 1dq8 h ALA 754 Ca 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1dq8 h ALA 754 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1dq8 h ALA 754 CO -0.28 -0.26 0.11 -0.91 0.00 0.00 0.00 179.25 177.91 1dq8 h ASN 755 N 0.48 0.46 -0.04 0.00 2.35 -1.55 -1.23 115.58 116.04 1dq8 h ASN 755 Ca 0.38 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1dq8 h ASN 755 Cb 0.81 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 1dq8 h ASN 755 CO -0.14 0.53 -0.05 0.40 -1.65 0.00 0.00 177.43 176.52 1dq8 h ILE 756 N 0.37 1.39 -0.26 2.81 1.08 -1.37 -2.71 117.51 118.82 1dq8 h ILE 756 Ca 0.11 -1.24 0.06 0.00 -0.39 0.00 0.00 64.86 63.40 1dq8 h ILE 756 Cb 0.22 2.12 -0.06 0.00 -3.07 0.00 0.00 36.82 36.03 1dq8 h ILE 756 CO -0.01 0.33 -0.13 0.58 -0.69 0.00 0.00 178.15 178.24 1dq8 h VAL 757 N -0.36 0.60 -0.54 1.67 2.07 -1.14 -2.03 116.25 116.53 1dq8 h VAL 757 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1dq8 h VAL 757 Cb 0.57 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1dq8 h VAL 757 CO 0.01 0.00 0.32 0.74 0.02 0.00 0.00 177.57 178.66 1dq8 h THR 758 N -0.10 1.05 -0.51 2.57 2.02 -1.27 0.84 112.91 117.51 1dq8 h THR 758 Ca 0.14 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1dq8 h THR 758 Cb 0.31 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1dq8 h THR 758 CO -0.32 0.11 -0.11 0.00 0.37 0.00 0.00 175.52 175.58 1dq8 h ALA 759 N 1.24 0.70 -0.32 6.16 0.00 -1.27 -0.85 119.26 124.91 1dq8 h ALA 759 Ca 0.22 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1dq8 h ALA 759 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dq8 h ALA 759 CO -0.10 0.60 -0.47 0.82 0.00 0.00 0.00 179.25 180.10 1dq8 h ILE 760 N 0.83 1.28 -0.28 0.00 2.04 -1.18 -1.07 117.51 119.13 1dq8 h ILE 760 Ca 0.13 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 1dq8 h ILE 760 Cb 0.67 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1dq8 h ILE 760 CO 0.05 0.54 0.15 1.88 0.00 0.00 0.00 178.15 180.77 1dq8 h TYR 761 N 0.69 0.39 -0.71 1.37 -1.99 -0.65 0.89 116.97 116.97 1dq8 h TYR 761 Ca 0.04 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1dq8 h TYR 761 Cb 1.07 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.64 1dq8 h TYR 761 CO 0.07 0.34 0.24 0.82 -0.00 0.00 0.00 178.16 179.62 1dq8 h ILE 762 N 0.33 1.25 -0.37 -2.88 2.04 -1.14 -0.60 117.51 116.15 1dq8 h ILE 762 Ca 0.10 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1dq8 h ILE 762 Cb 0.08 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1dq8 h ILE 762 CO -0.01 0.34 -0.21 0.00 0.00 0.00 0.00 178.15 178.26 1dq8 h ALA 763 N 1.11 0.94 -0.58 1.87 0.00 -0.97 -3.26 119.26 118.37 1dq8 h ALA 763 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dq8 h ALA 763 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1dq8 h ALA 763 CO -0.01 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1dq8 n GLY 765 N 0.70 1.20 3.89 0.00 0.00 -1.00 -4.63 105.19 105.35 1dq8 n GLY 765 Ca 0.27 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1dq8 n GLY 765 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dq8 n GLN 766 N -2.62 -1.54 -3.24 1.61 1.13 -0.26 -2.99 117.38 109.47 1dq8 n GLN 766 Ca -0.12 -2.06 -0.44 0.00 -1.94 0.00 0.00 57.00 52.44 1dq8 n GLN 766 Cb 0.41 -1.43 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 1dq8 n GLN 766 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1dq8 s ASP 767 N -5.80 6.19 0.56 1.08 -1.08 -1.26 -4.74 116.67 111.61 1dq8 s ASP 767 Ca 0.76 -1.21 0.25 0.00 -0.52 0.00 0.00 52.55 51.83 1dq8 s ASP 767 Cb -0.03 -2.25 1.60 0.00 -1.46 0.00 0.00 42.92 40.78 1dq8 s ASP 767 CO 0.54 -0.85 2.19 0.00 0.52 0.00 0.00 175.17 177.57 1dq8 h ALA 768 N 8.94 1.60 0.00 3.66 0.00 -1.94 0.03 119.26 131.55 1dq8 h ALA 768 Ca -0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1dq8 h ALA 768 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1dq8 h ALA 768 CO 0.97 0.04 -0.04 0.00 0.00 0.00 0.00 179.25 180.22 1dq8 h ALA 769 N 1.97 1.14 0.00 0.00 0.00 -2.00 -0.93 119.26 119.44 1dq8 h ALA 769 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dq8 h ALA 769 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dq8 h ALA 769 CO 0.00 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1dq8 n GLN 770 N -3.33 0.94 0.29 0.00 6.02 -0.00 -3.22 117.38 118.08 1dq8 n GLN 770 Ca -0.02 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.16 1dq8 n GLN 770 Cb 0.17 -1.25 0.83 0.00 1.02 0.00 0.00 30.24 31.00 1dq8 n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 1dq8 h ASN 771 N 0.00 0.00 0.19 1.08 7.08 -1.33 -0.96 115.58 121.64 1dq8 h ASN 771 Ca 0.00 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 53.23 1dq8 h ASN 771 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.20 1dq8 h ASN 771 CO 0.00 0.00 -0.39 0.58 -2.08 0.00 0.00 177.43 175.54 1dq8 h VAL 772 N 0.00 0.21 0.09 6.14 2.07 -1.79 -2.17 116.25 120.79 1dq8 h VAL 772 Ca 0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 1dq8 h VAL 772 Cb 0.36 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1dq8 h VAL 772 CO 0.00 0.00 -1.71 1.23 0.02 0.00 0.00 177.57 177.11 1dq8 h GLY 773 N -0.67 0.21 2.00 2.17 0.00 -1.83 -3.37 103.07 101.58 1dq8 h GLY 773 Ca 0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1dq8 h GLY 773 CO -0.19 0.47 -0.01 1.76 0.00 0.00 0.00 176.54 178.57 1dq8 h SER 774 N 0.05 0.00 0.33 0.19 0.02 -1.12 -1.51 113.55 111.51 1dq8 h SER 774 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1dq8 h SER 774 Cb 2.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.56 1dq8 h SER 774 CO 0.12 0.01 0.00 -1.20 -1.14 0.00 0.00 176.83 174.62 1dq8 n SER 775 N -4.35 0.00 -4.66 3.07 7.64 -0.82 -4.48 113.62 110.02 1dq8 n SER 775 Ca -0.03 -0.24 -0.47 0.00 1.01 0.00 0.00 58.87 59.14 1dq8 n SER 775 Cb 0.10 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 1dq8 n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dq8 n ASN 776 N -1.21 3.02 -3.63 6.43 3.02 -0.57 -4.58 115.26 117.73 1dq8 n ASN 776 Ca 0.13 1.07 -0.11 0.00 -0.03 0.00 0.00 54.58 55.64 1dq8 n ASN 776 Cb 0.16 -1.39 -0.07 0.00 -0.61 0.00 0.00 39.78 37.87 1dq8 n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dq8 s ILE 778 N 0.23 2.00 -0.25 0.00 2.07 -0.86 -1.75 121.20 122.65 1dq8 s ILE 778 Ca 0.02 -1.06 -0.10 0.00 -1.41 0.00 0.00 60.65 58.10 1dq8 s ILE 778 Cb -0.05 -1.90 -0.05 0.00 0.13 0.00 0.00 42.46 40.60 1dq8 s ILE 778 CO -0.04 0.38 0.16 -0.89 -1.91 0.00 0.00 174.94 172.65 1dq8 s THR 779 N 1.28 5.31 0.06 4.00 2.01 -0.25 -1.75 115.64 126.30 1dq8 s THR 779 Ca 0.02 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.26 1dq8 s THR 779 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1dq8 s THR 779 CO -0.11 0.33 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.16 1dq8 s LEU 780 N 1.20 2.20 0.00 4.42 1.43 -0.03 -4.90 118.68 122.99 1dq8 s LEU 780 Ca 0.07 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1dq8 s LEU 780 Cb -0.14 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1dq8 s LEU 780 CO 0.06 0.19 -0.01 -0.04 0.23 0.00 0.00 176.35 176.77 1dq8 s MET 781 N -1.37 0.12 0.13 1.70 -1.94 -1.26 -1.12 119.30 115.56 1dq8 s MET 781 Ca 0.10 -0.08 -0.16 0.00 -1.71 0.00 0.00 55.69 53.83 1dq8 s MET 781 Cb -0.09 -0.09 0.03 0.00 2.01 0.00 0.00 34.83 36.69 1dq8 s MET 781 CO 0.03 0.02 0.40 -1.83 -0.01 0.00 0.00 175.02 173.63 1dq8 s GLU 782 N -0.13 1.09 0.29 2.03 -1.05 -0.26 -4.91 118.70 115.77 1dq8 s GLU 782 Ca -0.01 -0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 1dq8 s GLU 782 Cb -0.01 0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 34.05 1dq8 s GLU 782 CO -0.00 -0.43 1.15 0.00 0.95 0.00 0.00 175.26 176.93 1dq8 s ALA 783 N -3.82 3.43 0.26 -0.84 0.00 -1.26 -1.05 121.76 118.49 1dq8 s ALA 783 Ca 0.04 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1dq8 s ALA 783 Cb 0.02 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1dq8 s ALA 783 CO -0.11 -0.28 0.26 0.45 0.00 0.00 0.00 175.76 176.07 1dq8 s SER 784 N -0.77 0.70 0.00 0.00 0.15 0.33 -4.81 113.70 109.30 1dq8 s SER 784 Ca 0.46 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.63 1dq8 s SER 784 Cb -0.34 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1dq8 s SER 784 CO 0.44 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1dq8 n GLY 785 N -0.43 -1.34 0.32 9.45 0.00 -1.26 -1.54 105.19 110.39 1dq8 n GLY 785 Ca 0.03 -1.59 0.17 0.00 0.00 0.00 0.00 46.02 44.64 1dq8 n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dq8 h PRO 786 N 0.00 0.19 -0.23 1.61 0.11 -2.01 -1.53 132.00 130.15 1dq8 h PRO 786 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1dq8 h PRO 786 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1dq8 h PRO 786 CO 0.00 0.13 0.00 -2.37 -0.21 0.00 0.00 178.00 175.55 1dq8 n THR 787 N -5.21 1.74 -3.15 -1.15 5.66 -1.26 -4.98 114.28 105.92 1dq8 n THR 787 Ca 0.26 -1.59 -0.22 0.00 -3.05 0.00 0.00 64.05 59.45 1dq8 n THR 787 Cb 0.82 0.04 0.01 0.00 -1.55 0.00 0.00 70.33 69.64 1dq8 n THR 787 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1dq8 n ASN 788 N -0.33 -4.39 -0.18 1.09 5.03 -0.58 -4.84 115.26 111.06 1dq8 n ASN 788 Ca 0.16 -0.29 0.04 0.00 0.87 0.00 0.00 54.58 55.36 1dq8 n ASN 788 Cb 0.66 -3.62 -0.00 0.00 -1.02 0.00 0.00 39.78 35.80 1dq8 n ASN 788 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1dq8 n GLU 789 N -3.69 2.32 -2.97 3.52 1.02 -1.00 -4.32 120.64 115.53 1dq8 n GLU 789 Ca -0.06 -0.52 -0.29 0.00 -0.02 0.00 0.00 57.16 56.27 1dq8 n GLU 789 Cb 0.57 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 1dq8 n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dq8 s ASP 790 N -1.27 6.48 -0.35 1.62 1.01 -0.59 -3.94 116.67 119.63 1dq8 s ASP 790 Ca 0.07 1.00 -0.10 0.00 0.71 0.00 0.00 52.55 54.22 1dq8 s ASP 790 Cb 0.07 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.75 1dq8 s ASP 790 CO 0.22 -0.36 0.19 -0.22 0.21 0.00 0.00 175.17 175.21 1dq8 s LEU 791 N -3.85 4.50 -0.14 1.23 2.96 0.76 -0.51 118.68 123.63 1dq8 s LEU 791 Ca 0.49 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 53.40 1dq8 s LEU 791 Cb -0.10 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1dq8 s LEU 791 CO 0.32 -0.32 0.48 -0.47 -1.32 0.00 0.00 176.35 175.04 1dq8 s TYR 792 N 1.58 3.48 -0.00 5.38 5.04 -0.21 0.64 117.35 133.25 1dq8 s TYR 792 Ca 0.03 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1dq8 s TYR 792 Cb -0.18 -2.57 -0.01 0.00 0.35 0.00 0.00 41.96 39.55 1dq8 s TYR 792 CO 0.07 0.11 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.80 1dq8 s ILE 793 N 0.83 0.71 0.01 3.14 2.07 -0.52 -1.10 121.20 126.35 1dq8 s ILE 793 Ca 0.25 -0.44 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1dq8 s ILE 793 Cb -0.15 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 1dq8 s ILE 793 CO 0.10 0.16 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.32 1dq8 s SER 794 N -0.32 0.34 -0.08 4.50 1.04 -0.27 -1.82 113.70 117.08 1dq8 s SER 794 Ca 0.03 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1dq8 s SER 794 Cb -0.04 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1dq8 s SER 794 CO -0.00 -0.11 -0.11 0.00 0.98 0.00 0.00 173.24 173.99 1dq8 s THR 796 N 0.97 2.33 -0.30 0.00 2.01 -0.71 -1.63 115.64 118.31 1dq8 s THR 796 Ca -0.09 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1dq8 s THR 796 Cb -0.15 -1.97 0.09 0.00 0.01 0.00 0.00 72.50 70.49 1dq8 s THR 796 CO 0.00 0.53 0.05 -0.04 -0.69 0.00 0.00 174.62 174.47 1dq8 s MET 797 N 0.92 1.16 0.00 4.92 -1.94 0.54 -2.03 119.30 122.87 1dq8 s MET 797 Ca -0.04 -1.33 0.30 0.00 -1.71 0.00 0.00 55.69 52.91 1dq8 s MET 797 Cb -0.15 -2.54 1.38 0.00 2.01 0.00 0.00 34.83 35.53 1dq8 s MET 797 CO -0.03 -0.89 1.99 -0.35 -0.01 0.00 0.00 175.02 175.73 1dq8 n PRO 798 N 4.61 0.23 -3.09 2.03 -0.04 -1.26 0.27 135.00 137.74 1dq8 n PRO 798 Ca -0.02 -0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1dq8 n PRO 798 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1dq8 n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dq8 n SER 799 N -1.38 0.50 -4.57 3.54 3.41 -1.22 -2.56 113.62 111.33 1dq8 n SER 799 Ca 0.11 -3.06 -0.43 0.00 -0.26 0.00 0.00 58.87 55.23 1dq8 n SER 799 Cb 0.29 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1dq8 n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dq8 s ILE 800 N -2.16 4.42 -0.48 -1.33 1.01 0.23 -3.17 121.20 119.73 1dq8 s ILE 800 Ca 0.37 0.77 -0.19 0.00 0.00 0.00 0.00 60.65 61.60 1dq8 s ILE 800 Cb 0.35 -4.47 0.05 0.00 0.01 0.00 0.00 42.46 38.40 1dq8 s ILE 800 CO -0.07 -0.89 0.56 -1.61 0.00 0.00 0.00 174.94 172.93 1dq8 s GLU 801 N 3.88 3.12 0.12 2.79 2.02 -1.26 -0.46 118.70 128.91 1dq8 s GLU 801 Ca 0.38 -0.86 -0.08 0.00 0.02 0.00 0.00 54.97 54.42 1dq8 s GLU 801 Cb -0.10 -4.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.07 1dq8 s GLU 801 CO 0.26 -1.10 0.22 -1.50 0.02 0.00 0.00 175.26 173.16 1dq8 s ILE 802 N 2.44 0.11 0.02 -1.63 2.07 -1.26 -4.86 121.20 118.08 1dq8 s ILE 802 Ca 0.14 -1.29 -0.28 0.00 -1.41 0.00 0.00 60.65 57.81 1dq8 s ILE 802 Cb -0.19 -1.57 0.09 0.00 0.13 0.00 0.00 42.46 40.93 1dq8 s ILE 802 CO 0.12 -0.50 0.81 -0.83 -1.91 0.00 0.00 174.94 172.63 1dq8 s GLY 803 N -2.91 -0.49 0.00 1.50 0.00 -1.26 -3.50 107.32 100.65 1dq8 s GLY 803 Ca 0.11 1.01 0.03 0.00 0.00 0.00 0.00 44.72 45.87 1dq8 s GLY 803 CO -0.06 0.42 0.89 -1.30 0.00 0.00 0.00 173.10 173.05 1dq8 n THR 804 N -0.07 0.61 -3.86 0.90 -2.24 0.13 -4.82 114.28 104.93 1dq8 n THR 804 Ca -0.12 -0.81 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 1dq8 n THR 804 Cb 0.62 0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 69.43 1dq8 n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dq8 s VAL 805 N -0.72 0.00 0.00 2.28 1.01 -1.20 -2.08 120.40 119.69 1dq8 s VAL 805 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1dq8 s VAL 805 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.37 1dq8 s VAL 805 CO 0.04 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1dq8 n GLY 806 N 3.06 1.29 7.00 4.51 0.00 -1.26 -4.40 105.19 115.39 1dq8 n GLY 806 Ca -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1dq8 n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dq8 n GLY 807 N 1.28 3.45 0.15 -0.02 0.00 -1.26 -2.15 105.19 106.64 1dq8 n GLY 807 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1dq8 n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dq8 h GLY 808 N 0.00 0.00 1.01 -0.02 0.00 -1.88 -2.95 103.07 99.23 1dq8 h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dq8 h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1dq8 n THR 809 N -2.33 0.00 1.12 4.70 -2.24 -0.91 -2.35 114.28 112.27 1dq8 n THR 809 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1dq8 n THR 809 Cb 0.20 -0.57 0.26 0.00 -2.10 0.00 0.00 70.33 68.13 1dq8 n THR 809 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1dq8 n ASN 810 N -1.01 0.94 -4.79 3.42 3.02 -1.11 -4.50 115.26 111.24 1dq8 n ASN 810 Ca 0.21 -0.75 -0.39 0.00 -0.03 0.00 0.00 54.58 53.62 1dq8 n ASN 810 Cb 0.10 0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 1dq8 n ASN 810 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1dq8 s LEU 811 N -2.70 4.54 0.16 3.41 1.43 -0.99 -4.96 118.68 119.57 1dq8 s LEU 811 Ca 0.18 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 1dq8 s LEU 811 Cb 0.18 -3.34 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1dq8 s LEU 811 CO 0.61 0.18 1.75 -0.07 0.23 0.00 0.00 176.35 179.05 1dq8 h LEU 812 N 4.16 0.15 -0.54 1.79 3.38 -1.90 0.57 115.31 122.92 1dq8 h LEU 812 Ca -0.47 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1dq8 h LEU 812 Cb 1.20 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1dq8 h LEU 812 CO 0.66 0.12 0.33 -0.65 0.09 0.00 0.00 178.44 178.99 1dq8 h PRO 813 N 0.29 0.73 -0.00 1.13 0.11 -1.95 -0.75 132.00 131.56 1dq8 h PRO 813 Ca 0.17 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1dq8 h PRO 813 Cb 0.14 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1dq8 h PRO 813 CO -0.17 0.53 -0.48 -0.56 -0.21 0.00 0.00 178.00 177.11 1dq8 h GLN 814 N 0.73 0.00 0.00 1.05 -0.00 -1.73 -1.51 115.11 113.65 1dq8 h GLN 814 Ca 0.19 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.79 1dq8 h GLN 814 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 1dq8 h GLN 814 CO -0.04 0.48 -0.26 1.96 -0.00 0.00 0.00 178.83 180.98 1dq8 h GLN 815 N 0.00 0.00 -0.39 0.06 4.20 -0.23 -1.36 115.11 117.39 1dq8 h GLN 815 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1dq8 h GLN 815 Cb 0.85 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1dq8 h GLN 815 CO 0.06 0.26 -0.22 0.00 -0.67 0.00 0.00 178.83 178.26 1dq8 h ALA 816 N 1.74 0.55 -0.35 3.87 0.00 -0.09 0.11 119.26 125.10 1dq8 h ALA 816 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1dq8 h ALA 816 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1dq8 h ALA 816 CO 0.03 0.53 -0.21 0.00 0.00 0.00 0.00 179.25 179.61 1dq8 h LEU 818 N 0.59 0.79 -1.12 0.00 3.38 -0.94 -3.02 115.31 114.99 1dq8 h LEU 818 Ca 0.09 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1dq8 h LEU 818 Cb 0.67 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1dq8 h LEU 818 CO 0.05 0.97 0.24 1.56 0.09 0.00 0.00 178.44 181.35 1dq8 h GLN 819 N 0.59 0.86 -0.62 1.13 4.20 -0.63 -1.34 115.11 119.30 1dq8 h GLN 819 Ca 0.10 -0.13 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1dq8 h GLN 819 Cb 0.63 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1dq8 h GLN 819 CO 0.04 0.70 0.42 1.98 -0.67 0.00 0.00 178.83 181.30 1dq8 h MET 820 N 0.85 0.37 -0.01 1.46 4.05 -1.22 0.49 114.93 120.92 1dq8 h MET 820 Ca 0.20 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1dq8 h MET 820 Cb 0.16 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1dq8 h MET 820 CO -0.02 0.24 -0.39 1.28 0.23 0.00 0.00 176.91 178.25 1dq8 n LEU 821 N -4.47 0.90 -0.97 3.39 4.77 -0.58 -4.67 117.00 115.38 1dq8 n LEU 821 Ca 0.11 -0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1dq8 n LEU 821 Cb 0.42 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1dq8 n LEU 821 CO 0.34 0.18 -0.11 0.61 -1.33 0.00 0.00 177.39 177.08 1dq8 n GLY 822 N 1.41 0.08 0.08 -0.72 0.00 0.17 -4.93 105.19 101.28 1dq8 n GLY 822 Ca 0.09 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.60 1dq8 n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dq8 n VAL 823 N -3.93 0.84 -2.09 1.61 0.24 -0.85 -5.00 118.33 109.15 1dq8 n VAL 823 Ca -0.10 -0.93 -0.41 0.00 -2.04 0.00 0.00 64.34 60.86 1dq8 n VAL 823 Cb 0.56 0.45 -0.02 0.00 -1.47 0.00 0.00 33.84 33.35 1dq8 n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1dq8 s GLN 824 N -1.07 4.33 1.44 7.34 -0.44 -1.22 -4.77 119.66 125.27 1dq8 s GLN 824 Ca 0.07 2.23 0.00 0.00 -2.50 0.00 0.00 55.36 55.16 1dq8 s GLN 824 Cb 0.06 -3.09 0.00 0.00 -1.64 0.00 0.00 33.01 28.35 1dq8 s GLN 824 CO 0.01 -0.25 0.00 0.41 0.50 0.00 0.00 175.29 175.95 1dq8 n GLY 825 N 1.24 -1.50 3.80 2.59 0.00 -0.89 -4.86 105.19 105.56 1dq8 n GLY 825 Ca 0.02 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1dq8 n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dq8 s ALA 826 N -1.56 3.06 -0.59 4.61 0.00 -1.26 -4.68 121.76 121.34 1dq8 s ALA 826 Ca 0.00 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 1dq8 s ALA 826 Cb 0.00 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 20.04 1dq8 s ALA 826 CO 0.00 -0.05 0.59 0.00 0.00 0.00 0.00 175.76 176.30 1dq8 h LYS 828 N 8.86 0.93 -0.00 0.00 1.57 -1.99 -1.47 116.57 124.46 1dq8 h LYS 828 Ca -0.25 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1dq8 h LYS 828 Cb 1.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1dq8 h LYS 828 CO 1.03 0.89 -0.02 -0.25 -0.57 0.00 0.00 179.45 180.52 1dq8 n ASP 829 N -4.21 0.13 -2.74 0.86 8.00 -1.26 -4.33 116.55 113.00 1dq8 n ASP 829 Ca 0.03 -0.46 -0.07 0.00 0.71 0.00 0.00 54.79 55.00 1dq8 n ASP 829 Cb 0.30 -0.17 0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1dq8 n ASP 829 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1dq8 n ASN 830 N -1.12 -2.67 -4.64 -2.24 5.15 -1.08 -5.14 115.26 103.52 1dq8 n ASN 830 Ca 0.17 -3.00 -0.57 0.00 -0.60 0.00 0.00 54.58 50.57 1dq8 n ASN 830 Cb 0.22 1.64 -0.07 0.00 -0.53 0.00 0.00 39.78 41.03 1dq8 n ASN 830 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1dq8 n PRO 831 N 1.73 0.80 0.00 1.20 -0.02 -0.57 -1.74 135.00 136.40 1dq8 n PRO 831 Ca 0.08 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1dq8 n PRO 831 Cb 0.64 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1dq8 n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dq8 n GLY 832 N 3.13 1.50 0.19 -1.23 0.00 -1.25 -4.80 105.19 102.73 1dq8 n GLY 832 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1dq8 n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dq8 h GLU 833 N 3.47 0.00 -0.09 1.61 4.57 -1.65 -1.60 114.58 120.89 1dq8 h GLU 833 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 1dq8 h GLU 833 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1dq8 h GLU 833 CO 0.00 0.39 -0.73 -0.91 -1.18 0.00 0.00 179.01 176.57 1dq8 h ASN 834 N 0.00 0.81 -0.50 1.04 2.35 -1.88 -1.78 115.58 115.62 1dq8 h ASN 834 Ca -0.00 -0.67 -0.10 0.00 -0.55 0.00 0.00 56.30 54.98 1dq8 h ASN 834 Cb 0.75 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1dq8 h ASN 834 CO 0.05 1.35 -0.07 0.00 -1.65 0.00 0.00 177.43 177.12 1dq8 h ALA 835 N 0.47 0.68 -0.63 -0.83 0.00 -1.79 -1.10 119.26 116.06 1dq8 h ALA 835 Ca -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1dq8 h ALA 835 Cb 1.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1dq8 h ALA 835 CO 0.15 0.54 0.30 0.00 0.00 0.00 0.00 179.25 180.24 1dq8 h ARG 836 N 0.78 0.92 -0.57 0.00 3.08 -1.34 -0.33 114.38 116.92 1dq8 h ARG 836 Ca 0.13 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1dq8 h ARG 836 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1dq8 h ARG 836 CO 0.04 0.74 0.18 0.37 -1.07 0.00 0.00 179.97 180.23 1dq8 h GLN 837 N 0.87 0.88 -0.53 0.04 5.75 -1.14 -1.83 115.11 119.16 1dq8 h GLN 837 Ca 0.22 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1dq8 h GLN 837 Cb 0.13 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1dq8 h GLN 837 CO -0.03 0.79 0.25 1.25 -2.65 0.00 0.00 178.83 178.45 1dq8 h LEU 838 N 0.79 0.70 -1.11 -2.39 5.85 -0.76 -1.38 115.31 117.01 1dq8 h LEU 838 Ca 0.18 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1dq8 h LEU 838 Cb 0.28 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1dq8 h LEU 838 CO -0.01 0.64 0.60 0.00 -0.34 0.00 0.00 178.44 179.33 1dq8 h ALA 839 N 1.09 1.48 -0.57 1.25 0.00 -0.78 -0.48 119.26 121.26 1dq8 h ALA 839 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1dq8 h ALA 839 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dq8 h ALA 839 CO -0.02 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 1dq8 h ARG 840 N 1.07 1.04 -0.65 0.00 3.08 -0.76 -1.44 114.38 116.71 1dq8 h ARG 840 Ca 0.40 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1dq8 h ARG 840 Cb 0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1dq8 h ARG 840 CO -0.15 1.06 0.24 0.82 -1.07 0.00 0.00 179.97 180.87 1dq8 h ILE 841 N 0.93 1.24 -0.15 2.04 2.04 -0.48 0.76 117.51 123.89 1dq8 h ILE 841 Ca 0.15 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1dq8 h ILE 841 Cb 0.63 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1dq8 h ILE 841 CO 0.04 0.31 0.08 0.58 0.00 0.00 0.00 178.15 179.16 1dq8 h VAL 842 N 0.93 1.11 -0.54 1.67 2.07 -0.87 0.94 116.25 121.56 1dq8 h VAL 842 Ca 0.22 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1dq8 h VAL 842 Cb 0.24 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1dq8 h VAL 842 CO -0.01 0.10 0.23 0.00 0.02 0.00 0.00 177.57 177.91 1dq8 h GLY 844 N 0.74 1.10 1.28 0.00 0.00 -0.73 -1.59 103.07 103.86 1dq8 h GLY 844 Ca 0.18 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.68 1dq8 h GLY 844 CO -0.02 0.60 -0.61 -0.84 0.00 0.00 0.00 176.54 175.67 1dq8 h THR 845 N 0.98 1.29 -0.75 4.70 2.02 -0.50 -2.19 112.91 118.46 1dq8 h THR 845 Ca 0.21 -1.83 0.04 0.00 0.77 0.00 0.00 66.41 65.61 1dq8 h THR 845 Cb 0.30 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1dq8 h THR 845 CO -0.01 0.58 0.46 0.58 0.37 0.00 0.00 175.52 177.51 1dq8 h VAL 846 N 0.55 1.06 -0.89 3.16 2.07 -0.53 -0.09 116.25 121.58 1dq8 h VAL 846 Ca -0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1dq8 h VAL 846 Cb 1.21 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1dq8 h VAL 846 CO 0.13 0.16 0.47 -0.03 0.02 0.00 0.00 177.57 178.32 1dq8 h MET 847 N 0.88 1.25 -0.52 1.57 -1.53 -1.07 0.29 114.93 115.81 1dq8 h MET 847 Ca 0.32 -0.16 -0.02 0.00 -3.44 0.00 0.00 59.70 56.40 1dq8 h MET 847 Cb 0.09 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 30.87 1dq8 h MET 847 CO -0.14 0.93 0.23 0.00 0.14 0.00 0.00 176.91 178.07 1dq8 h ALA 848 N 1.26 0.67 -0.69 0.39 0.00 -0.73 -0.93 119.26 119.24 1dq8 h ALA 848 Ca 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1dq8 h ALA 848 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1dq8 h ALA 848 CO -0.05 0.25 0.22 0.78 0.00 0.00 0.00 179.25 180.46 1dq8 h GLY 849 N 0.70 1.15 0.98 0.00 0.00 0.17 -2.65 103.07 103.42 1dq8 h GLY 849 Ca 0.18 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1dq8 h GLY 849 CO -0.02 0.63 0.29 0.83 0.00 0.00 0.00 176.54 178.27 1dq8 h GLU 850 N 1.01 0.75 0.00 4.80 4.39 -0.16 -2.05 114.58 123.32 1dq8 h GLU 850 Ca 0.22 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1dq8 h GLU 850 Cb 0.29 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1dq8 h GLU 850 CO -0.01 0.59 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.23 1dq8 h LEU 851 N 0.72 -0.38 -0.35 1.33 3.38 -0.93 -1.38 115.31 117.71 1dq8 h LEU 851 Ca 0.19 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1dq8 h LEU 851 Cb 0.06 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dq8 h LEU 851 CO -0.03 -0.18 0.02 -1.28 0.09 0.00 0.00 178.44 177.05 1dq8 h SER 852 N -0.22 0.58 -0.39 -0.43 0.87 -1.40 -0.63 113.55 111.94 1dq8 h SER 852 Ca 0.04 -0.30 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 1dq8 h SER 852 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1dq8 h SER 852 CO -0.13 0.74 -0.10 0.25 -0.53 0.00 0.00 176.83 177.06 1dq8 h LEU 853 N 0.41 0.76 -1.30 2.23 5.85 -1.39 -1.12 115.31 120.75 1dq8 h LEU 853 Ca 0.10 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1dq8 h LEU 853 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1dq8 h LEU 853 CO 0.01 0.95 0.05 0.24 -0.34 0.00 0.00 178.44 179.35 1dq8 h MET 854 N 0.56 0.52 -0.26 1.25 2.86 -1.20 0.77 114.93 119.42 1dq8 h MET 854 Ca 0.10 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1dq8 h MET 854 Cb 0.62 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1dq8 h MET 854 CO 0.04 0.51 -0.04 0.00 1.06 0.00 0.00 176.91 178.48 1dq8 h ALA 855 N 1.55 0.36 -0.83 6.32 0.00 -0.92 -0.98 119.26 124.76 1dq8 h ALA 855 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1dq8 h ALA 855 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1dq8 h ALA 855 CO 0.00 0.14 0.39 0.00 0.00 0.00 0.00 179.25 179.79 1dq8 h ALA 856 N 0.79 1.12 -0.46 0.00 0.00 -0.73 -1.29 119.26 118.70 1dq8 h ALA 856 Ca 0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1dq8 h ALA 856 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dq8 h ALA 856 CO 0.02 0.66 -0.25 -0.07 0.00 0.00 0.00 179.25 179.61 1dq8 h LEU 857 N 1.19 1.00 -0.51 0.00 3.38 -0.69 0.39 115.31 120.06 1dq8 h LEU 857 Ca 0.28 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1dq8 h LEU 857 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1dq8 h LEU 857 CO -0.03 1.19 0.19 0.00 0.09 0.00 0.00 178.44 179.87 1dq8 h ALA 858 N 0.88 0.66 -0.00 1.53 0.00 -0.86 -2.89 119.26 118.57 1dq8 h ALA 858 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dq8 h ALA 858 Cb 0.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1dq8 h ALA 858 CO 0.07 0.29 -0.09 0.00 0.00 0.00 0.00 179.25 179.51 1dq8 n ALA 859 N -2.35 2.74 -2.39 0.00 0.00 -0.51 -4.94 120.51 113.06 1dq8 n ALA 859 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1dq8 n ALA 859 Cb 0.17 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.28 1dq8 n ALA 859 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dq8 n GLY 860 N 1.25 0.24 0.86 0.00 0.00 -0.59 -4.97 105.19 101.98 1dq8 n GLY 860 Ca 0.15 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1dq8 n GLY 860 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dq8 n HIS 861 N -3.74 0.29 0.27 1.61 8.25 0.13 -4.72 115.22 117.31 1dq8 n HIS 861 Ca -0.05 -0.19 -0.14 0.00 -0.26 0.00 0.00 57.72 57.08 1dq8 n HIS 861 Cb 0.54 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 1dq8 n HIS 861 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1dq8 h LEU 862 N 3.54 -1.02 -0.43 2.41 5.85 -1.92 -1.48 115.31 122.27 1dq8 h LEU 862 Ca 0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1dq8 h LEU 862 Cb 0.82 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1dq8 h LEU 862 CO 0.00 -0.54 0.15 0.58 -0.34 0.00 0.00 178.44 178.30 1dq8 h VAL 863 N -0.84 1.21 -0.61 1.05 2.07 -1.94 -2.98 116.25 114.21 1dq8 h VAL 863 Ca -0.06 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1dq8 h VAL 863 Cb 0.70 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1dq8 h VAL 863 CO 0.00 0.24 0.41 0.50 0.02 0.00 0.00 177.57 178.74 1dq8 h LYS 864 N 0.55 0.43 0.00 1.57 1.63 -1.83 -3.56 116.57 115.36 1dq8 h LYS 864 Ca 0.14 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1dq8 h LYS 864 Cb 0.22 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1dq8 h LYS 864 CO -0.01 0.28 0.00 -1.13 -3.45 0.00 0.00 179.45 175.15