#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqa s SER 463 N 0.00 4.86 0.06 -1.43 1.04 -1.26 -4.94 113.70 112.03 1dqa s SER 463 Ca 0.00 -0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.05 1dqa s SER 463 Cb 0.00 -0.49 -0.12 0.00 0.10 0.00 0.00 66.02 65.51 1dqa s SER 463 CO 0.00 -1.48 1.51 0.44 0.98 0.00 0.00 173.24 174.69 1dqa h ASP 464 N -0.21 0.25 -0.94 7.02 5.19 -2.02 -1.44 116.42 124.27 1dqa h ASP 464 Ca -0.39 -0.29 0.05 0.00 -0.62 0.00 0.00 57.03 55.78 1dqa h ASP 464 Cb 1.29 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.67 1dqa h ASP 464 CO 0.47 0.47 0.61 0.00 -3.12 0.00 0.00 179.24 177.67 1dqa h ALA 465 N 0.78 1.44 -0.27 3.45 0.00 -1.99 -1.11 119.26 121.56 1dqa h ALA 465 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1dqa h ALA 465 Cb 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dqa h ALA 465 CO 0.01 0.44 -0.27 0.93 0.00 0.00 0.00 179.25 180.36 1dqa h GLU 466 N 1.13 0.66 -0.85 0.00 5.08 -1.92 -1.71 114.58 116.96 1dqa h GLU 466 Ca 0.39 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1dqa h GLU 466 Cb 0.10 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1dqa h GLU 466 CO -0.13 0.95 0.53 0.82 -1.00 0.00 0.00 179.01 180.18 1dqa h ILE 467 N 0.38 1.23 -0.10 3.13 2.04 -0.72 -1.73 117.51 121.74 1dqa h ILE 467 Ca 0.04 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1dqa h ILE 467 Cb 0.83 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1dqa h ILE 467 CO 0.07 0.24 0.05 0.40 0.00 0.00 0.00 178.15 178.90 1dqa h ILE 468 N 1.17 1.12 -0.74 -0.67 2.04 -1.14 -1.16 117.51 118.13 1dqa h ILE 468 Ca 0.31 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1dqa h ILE 468 Cb -0.08 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1dqa h ILE 468 CO -0.06 0.11 0.48 1.56 0.00 0.00 0.00 178.15 180.24 1dqa h GLN 469 N 0.03 0.74 -0.25 2.37 4.20 -1.02 -0.38 115.11 120.81 1dqa h GLN 469 Ca 0.03 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1dqa h GLN 469 Cb 0.13 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1dqa h GLN 469 CO -0.00 0.49 -0.48 1.25 -0.67 0.00 0.00 178.83 179.42 1dqa h LEU 470 N 0.77 0.73 0.83 1.46 7.12 -0.97 -1.29 115.31 123.95 1dqa h LEU 470 Ca 0.32 -0.36 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 1dqa h LEU 470 Cb 0.26 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1dqa h LEU 470 CO -0.11 1.09 -0.40 0.58 -0.13 0.00 0.00 178.44 179.47 1dqa h VAL 471 N 0.53 0.05 -0.02 1.05 2.07 0.08 -1.31 116.25 118.70 1dqa h VAL 471 Ca 0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1dqa h VAL 471 Cb 1.03 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1dqa h VAL 471 CO 0.10 0.00 -0.21 0.78 0.02 0.00 0.00 177.57 178.26 1dqa h ASN 472 N -1.26 -0.64 -0.96 0.57 2.35 -1.18 -1.55 115.58 112.91 1dqa h ASN 472 Ca -0.11 0.09 0.16 0.00 -0.55 0.00 0.00 56.30 55.89 1dqa h ASN 472 Cb 0.86 0.27 -0.10 0.00 0.05 0.00 0.00 38.32 39.40 1dqa h ASN 472 CO 0.19 -0.28 0.57 0.00 -1.65 0.00 0.00 177.43 176.26 1dqa h ALA 473 N 0.56 1.52 -0.88 -0.83 0.00 -1.28 -1.97 119.26 116.38 1dqa h ALA 473 Ca 0.07 0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.45 1dqa h ALA 473 Cb 0.42 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 17.80 1dqa h ALA 473 CO -0.21 0.00 0.34 1.63 0.00 0.00 0.00 179.25 181.01 1dqa n LYS 474 N -4.76 2.82 -2.45 0.00 4.76 -0.50 -4.91 118.16 113.12 1dqa n LYS 474 Ca 0.21 -3.49 0.00 0.00 -2.87 0.00 0.00 58.31 52.16 1dqa n LYS 474 Cb 0.48 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1dqa n LYS 474 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1dqa n HIS 475 N -0.90 0.00 -2.61 2.13 -0.00 -0.74 -4.85 115.22 108.24 1dqa n HIS 475 Ca 0.55 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.86 1dqa n HIS 475 Cb 0.86 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.82 1dqa n HIS 475 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1dqa s ILE 476 N -3.05 4.49 0.25 3.57 1.01 -0.69 -5.04 121.20 121.73 1dqa s ILE 476 Ca 0.00 1.85 -0.31 0.00 0.00 0.00 0.00 60.65 62.19 1dqa s ILE 476 Cb 0.00 -4.19 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 1dqa s ILE 476 CO 0.00 0.18 1.65 -2.84 0.00 0.00 0.00 174.94 173.93 1dqa s PRO 477 N 0.73 4.13 0.45 2.79 0.02 -1.26 -4.85 135.00 137.01 1dqa s PRO 477 Ca 0.53 2.58 0.11 0.00 0.02 0.00 0.00 61.00 64.24 1dqa s PRO 477 Cb -0.24 -3.05 1.03 0.00 0.02 0.00 0.00 34.50 32.25 1dqa s PRO 477 CO 0.29 -0.69 2.08 0.00 -0.33 0.00 0.00 177.00 178.35 1dqa h ALA 478 N 5.83 1.81 0.00 -1.55 0.00 -1.99 -1.63 119.26 121.73 1dqa h ALA 478 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dqa h ALA 478 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1dqa h ALA 478 CO 0.87 0.16 0.00 0.10 0.00 0.00 0.00 179.25 180.39 1dqa h TYR 479 N 0.26 0.00 -0.02 0.00 -0.00 -1.97 -2.76 116.97 112.48 1dqa h TYR 479 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.80 1dqa h TYR 479 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.76 1dqa h TYR 479 CO 0.00 0.00 -0.15 1.63 -0.00 0.00 0.00 178.16 179.64 1dqa n LYS 480 N -2.31 1.51 -0.34 0.10 5.02 -0.61 -4.53 118.16 117.01 1dqa n LYS 480 Ca 0.02 -1.06 0.19 0.00 -2.02 0.00 0.00 58.31 55.44 1dqa n LYS 480 Cb 0.22 -1.48 0.40 0.00 -0.02 0.00 0.00 35.03 34.15 1dqa n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dqa h LEU 481 N 2.58 0.58 -1.61 -0.35 3.38 -1.56 -0.59 115.31 117.74 1dqa h LEU 481 Ca 0.00 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1dqa h LEU 481 Cb 0.65 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1dqa h LEU 481 CO 0.00 0.01 -0.21 -0.33 0.09 0.00 0.00 178.44 178.00 1dqa h GLU 482 N 0.48 0.00 0.00 1.13 3.07 -1.85 -0.76 114.58 116.65 1dqa h GLU 482 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1dqa h GLU 482 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1dqa h GLU 482 CO -0.53 0.21 -0.05 0.25 -1.40 0.00 0.00 179.01 177.50 1dqa n THR 483 N -3.94 0.06 -0.12 1.13 -2.24 -0.24 -3.84 114.28 105.09 1dqa n THR 483 Ca -0.02 -0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 1dqa n THR 483 Cb 0.30 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 67.97 1dqa n THR 483 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dqa n LEU 484 N -1.58 2.33 -4.93 3.22 0.00 -0.63 -4.99 117.00 110.43 1dqa n LEU 484 Ca 0.07 0.18 -0.26 0.00 0.00 0.00 0.00 56.01 56.00 1dqa n LEU 484 Cb 0.35 -0.89 0.02 0.00 0.00 0.00 0.00 43.42 42.90 1dqa n LEU 484 CO 0.28 0.68 0.45 -0.63 0.00 0.00 0.00 177.39 178.18 1dqa s ILE 485 N -2.50 3.90 -0.12 1.96 1.01 -0.39 -5.05 121.20 120.01 1dqa s ILE 485 Ca -0.35 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1dqa s ILE 485 Cb 0.11 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 1dqa s ILE 485 CO 0.56 -0.48 0.19 -0.33 0.00 0.00 0.00 174.94 174.88 1dqa h GLU 486 N 0.03 0.00 -6.49 2.79 5.08 -1.90 -3.45 114.58 110.64 1dqa h GLU 486 Ca -0.46 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.37 1dqa h GLU 486 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1dqa h GLU 486 CO 0.60 0.31 0.18 -0.08 -1.00 0.00 0.00 179.01 179.02 1dqa s THR 487 N -1.85 4.43 0.12 1.13 -1.32 -1.26 -4.99 115.64 111.90 1dqa s THR 487 Ca -0.08 1.70 -0.17 0.00 -1.21 0.00 0.00 61.69 61.93 1dqa s THR 487 Cb -0.00 -4.14 -0.03 0.00 -1.51 0.00 0.00 72.50 66.82 1dqa s THR 487 CO 0.24 0.49 1.65 0.45 -2.21 0.00 0.00 174.62 175.24 1dqa h HIS 488 N 4.56 0.54 -0.88 9.09 3.86 -1.92 -3.02 115.15 127.38 1dqa h HIS 488 Ca -0.46 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 58.75 1dqa h HIS 488 Cb 1.21 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.46 1dqa h HIS 488 CO 0.64 0.52 0.56 1.49 0.86 0.00 0.00 177.93 182.00 1dqa h GLU 489 N 0.40 1.01 -0.28 2.45 4.81 -1.94 -1.94 114.58 119.09 1dqa h GLU 489 Ca 0.11 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1dqa h GLU 489 Cb 0.23 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1dqa h GLU 489 CO -0.01 0.67 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.68 1dqa h ARG 490 N 1.04 0.50 -0.69 1.92 2.43 -1.97 -0.10 114.38 117.52 1dqa h ARG 490 Ca 0.37 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1dqa h ARG 490 Cb 0.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1dqa h ARG 490 CO -0.15 0.66 0.31 0.78 -1.51 0.00 0.00 179.97 180.07 1dqa h GLY 491 N 0.97 1.08 0.96 2.80 0.00 -1.24 0.29 103.07 107.92 1dqa h GLY 491 Ca 0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1dqa h GLY 491 CO 0.04 0.52 0.12 -2.08 0.00 0.00 0.00 176.54 175.14 1dqa h VAL 492 N 0.97 1.23 -0.35 4.60 2.07 -0.94 0.44 116.25 124.27 1dqa h VAL 492 Ca 0.23 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1dqa h VAL 492 Cb 0.15 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1dqa h VAL 492 CO -0.03 0.29 0.17 -1.28 0.02 0.00 0.00 177.57 176.74 1dqa h SER 493 N 0.61 0.25 -0.45 0.57 0.87 -0.58 0.08 113.55 114.89 1dqa h SER 493 Ca 0.14 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1dqa h SER 493 Cb 0.31 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1dqa h SER 493 CO 0.00 0.19 0.20 0.40 -0.53 0.00 0.00 176.83 177.08 1dqa h ILE 494 N 0.35 1.20 -0.71 2.23 1.08 -0.77 -1.59 117.51 119.30 1dqa h ILE 494 Ca 0.15 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 1dqa h ILE 494 Cb 0.06 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 1dqa h ILE 494 CO -0.11 0.22 0.44 -0.09 -0.69 0.00 0.00 178.15 177.93 1dqa h ARG 495 N 0.59 0.84 -0.60 2.37 2.43 -0.38 0.14 114.38 119.76 1dqa h ARG 495 Ca 0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1dqa h ARG 495 Cb 0.16 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1dqa h ARG 495 CO -0.02 0.56 0.31 0.00 -1.51 0.00 0.00 179.97 179.31 1dqa h ARG 496 N 0.86 0.84 -0.30 0.20 3.08 -0.69 0.08 114.38 118.46 1dqa h ARG 496 Ca 0.29 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 1dqa h ARG 496 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1dqa h ARG 496 CO -0.12 0.64 -0.22 1.96 -1.07 0.00 0.00 179.97 181.17 1dqa h GLN 497 N 0.85 0.68 -0.73 0.04 4.20 -0.24 -0.58 115.11 119.33 1dqa h GLN 497 Ca 0.21 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1dqa h GLN 497 Cb 0.06 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1dqa h GLN 497 CO -0.03 0.93 0.31 -0.07 -0.67 0.00 0.00 178.83 179.30 1dqa h LEU 498 N 0.43 0.98 -0.26 1.46 4.07 -0.57 -3.03 115.31 118.40 1dqa h LEU 498 Ca 0.06 -0.13 -0.14 0.00 0.08 0.00 0.00 57.88 57.74 1dqa h LEU 498 Cb 0.76 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1dqa h LEU 498 CO 0.06 0.86 -0.40 0.25 -1.08 0.00 0.00 178.44 178.13 1dqa h LEU 499 N 1.05 0.79 -1.57 1.67 5.85 -0.88 -3.26 115.31 118.97 1dqa h LEU 499 Ca 0.25 -0.52 0.18 0.00 0.84 0.00 0.00 57.88 58.63 1dqa h LEU 499 Cb 0.17 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1dqa h LEU 499 CO -0.02 1.16 0.56 0.28 -0.34 0.00 0.00 178.44 180.07 1dqa h SER 500 N 0.45 0.38 0.88 1.25 0.02 -0.97 0.17 113.55 115.73 1dqa h SER 500 Ca 0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1dqa h SER 500 Cb 0.99 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1dqa h SER 500 CO 0.09 0.17 -0.05 0.11 -1.14 0.00 0.00 176.83 176.01 1dqa h LYS 501 N 0.39 0.00 -0.54 3.45 1.57 -1.59 -2.88 116.57 116.96 1dqa h LYS 501 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1dqa h LYS 501 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1dqa h LYS 501 CO -0.14 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.42 1dqa n LYS 502 N -3.19 2.41 -4.02 3.15 5.02 0.59 -4.95 118.16 117.16 1dqa n LYS 502 Ca 0.00 -2.18 -0.34 0.00 -2.02 0.00 0.00 58.31 53.77 1dqa n LYS 502 Cb 0.31 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1dqa n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dqa s LEU 503 N -1.16 4.12 0.47 -0.35 1.43 -1.09 -4.98 118.68 117.13 1dqa s LEU 503 Ca 0.41 0.29 0.17 0.00 -1.03 0.00 0.00 54.13 53.97 1dqa s LEU 503 Cb 0.22 -2.25 1.12 0.00 0.03 0.00 0.00 46.19 45.31 1dqa s LEU 503 CO 0.29 0.32 2.02 0.77 0.23 0.00 0.00 176.35 179.99 1dqa h SER 504 N 4.40 0.00 -4.16 2.29 4.64 -1.92 -3.27 113.55 115.53 1dqa h SER 504 Ca -0.51 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.18 1dqa h SER 504 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 1dqa h SER 504 CO 0.62 0.16 -0.66 -1.61 -0.87 0.00 0.00 176.83 174.47 1dqa s GLU 505 N -4.59 1.82 0.56 4.77 2.02 -1.26 -4.99 118.70 117.03 1dqa s GLU 505 Ca -0.04 -2.49 0.28 0.00 0.02 0.00 0.00 54.97 52.75 1dqa s GLU 505 Cb 0.15 -3.09 1.47 0.00 0.10 0.00 0.00 34.13 32.77 1dqa s GLU 505 CO 0.67 -1.12 1.94 -1.35 0.02 0.00 0.00 175.26 175.41 1dqa h PRO 506 N 6.54 0.00 -0.13 0.39 0.11 -1.75 -0.42 132.00 136.73 1dqa h PRO 506 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1dqa h PRO 506 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1dqa h PRO 506 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1dqa n SER 507 N -4.05 1.23 -0.29 -2.05 3.41 -1.26 -4.44 113.62 106.17 1dqa n SER 507 Ca 0.11 -1.67 0.12 0.00 -0.26 0.00 0.00 58.87 57.18 1dqa n SER 507 Cb 0.71 -0.09 0.29 0.00 -0.26 0.00 0.00 64.21 64.86 1dqa n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1dqa h SER 508 N 1.61 0.10 0.35 4.04 0.02 -1.47 -1.82 113.55 116.38 1dqa h SER 508 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dqa h SER 508 Cb 0.35 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1dqa h SER 508 CO 0.00 -0.10 0.00 0.18 -1.14 0.00 0.00 176.83 175.77 1dqa n LEU 509 N -5.17 0.00 -0.23 5.07 4.32 -1.26 -4.21 117.00 115.52 1dqa n LEU 509 Ca 0.21 0.26 0.01 0.00 -0.02 0.00 0.00 56.01 56.47 1dqa n LEU 509 Cb 0.66 -0.26 0.08 0.00 -1.62 0.00 0.00 43.42 42.29 1dqa n LEU 509 CO 0.09 -0.08 0.75 -0.61 -1.22 0.00 0.00 177.39 176.31 1dqa h GLN 510 N 0.00 0.02 -0.60 3.23 4.15 -1.67 -1.25 115.11 118.99 1dqa h GLN 510 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1dqa h GLN 510 Cb 0.17 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1dqa h GLN 510 CO 0.00 0.01 0.00 0.66 -1.93 0.00 0.00 178.83 177.57 1dqa n TYR 511 N -5.43 0.91 -3.23 3.99 4.02 -1.26 -4.78 117.16 111.38 1dqa n TYR 511 Ca 0.09 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.90 57.13 1dqa n TYR 511 Cb 0.36 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 1dqa n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1dqa s LEU 512 N -1.17 4.66 0.66 7.72 0.20 -0.47 -5.05 118.68 125.23 1dqa s LEU 512 Ca 0.40 -0.47 -0.14 0.00 0.69 0.00 0.00 54.13 54.62 1dqa s LEU 512 Cb 0.22 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.44 1dqa s LEU 512 CO 0.25 -0.64 1.08 -2.16 -0.29 0.00 0.00 176.35 174.59 1dqa s PRO 513 N 2.43 2.89 0.00 0.98 0.04 -1.26 -4.90 135.00 135.18 1dqa s PRO 513 Ca 0.17 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1dqa s PRO 513 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1dqa s PRO 513 CO 0.16 -1.16 0.00 2.48 0.04 0.00 0.00 177.00 178.52 1dqa n TYR 514 N -2.61 0.00 -2.04 0.56 0.18 -1.26 -1.21 117.16 110.78 1dqa n TYR 514 Ca 0.09 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.55 1dqa n TYR 514 Cb 0.53 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 1dqa n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1dqa s ARG 515 N -0.33 3.38 -1.46 -3.48 0.52 -1.26 -4.14 118.95 112.18 1dqa s ARG 515 Ca 0.00 1.12 -0.08 0.00 -0.52 0.00 0.00 55.73 56.26 1dqa s ARG 515 Cb 0.00 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.44 1dqa s ARG 515 CO 0.00 -0.75 0.89 -0.25 0.02 0.00 0.00 175.30 175.21 1dqa n ASP 516 N -2.10 -6.05 -4.25 0.23 8.00 -1.26 -5.01 116.55 106.11 1dqa n ASP 516 Ca 0.08 -0.44 -0.27 0.00 0.71 0.00 0.00 54.79 54.87 1dqa n ASP 516 Cb 0.53 -4.82 -0.15 0.00 -0.02 0.00 0.00 41.12 36.66 1dqa n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1dqa s TYR 517 N -3.24 1.94 -1.00 1.24 5.04 -1.26 -5.07 117.35 115.00 1dqa s TYR 517 Ca 0.46 -0.37 -0.23 0.00 -2.44 0.00 0.00 57.07 54.49 1dqa s TYR 517 Cb -0.21 -1.21 0.04 0.00 0.35 0.00 0.00 41.96 40.93 1dqa s TYR 517 CO 0.57 0.03 1.49 1.21 -1.34 0.00 0.00 175.55 177.51 1dqa s ASN 518 N -0.83 6.37 0.34 4.32 3.84 -1.26 -4.84 114.94 122.88 1dqa s ASN 518 Ca 0.08 -1.34 0.26 0.00 0.21 0.00 0.00 52.86 52.08 1dqa s ASN 518 Cb -0.09 -2.57 0.90 0.00 -0.55 0.00 0.00 41.25 38.95 1dqa s ASN 518 CO 0.00 -1.63 1.77 1.88 -2.79 0.00 0.00 177.10 176.34 1dqa h TYR 519 N 9.95 0.00 -0.59 0.43 -1.99 -1.97 -3.26 116.97 119.54 1dqa h TYR 519 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1dqa h TYR 519 Cb 1.01 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.71 1dqa h TYR 519 CO 1.27 0.00 0.37 0.66 -0.00 0.00 0.00 178.16 180.46 1dqa h SER 520 N 0.00 0.70 0.59 3.88 4.64 -1.94 -1.29 113.55 120.13 1dqa h SER 520 Ca 0.00 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1dqa h SER 520 Cb 0.61 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1dqa h SER 520 CO 0.00 0.52 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.78 1dqa h LEU 521 N 0.81 0.05 -0.01 5.97 4.07 -1.96 -3.32 115.31 120.92 1dqa h LEU 521 Ca 0.22 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 58.02 1dqa h LEU 521 Cb -0.06 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 41.68 1dqa h LEU 521 CO -0.04 0.67 -0.48 0.58 -1.08 0.00 0.00 178.44 178.08 1dqa h VAL 522 N 0.03 1.45 -3.29 1.22 2.07 -1.48 -3.41 116.25 112.84 1dqa h VAL 522 Ca -0.01 -2.00 -0.53 0.00 0.82 0.00 0.00 66.70 64.99 1dqa h VAL 522 Cb 1.12 2.60 0.06 0.00 -1.52 0.00 0.00 31.29 33.54 1dqa h VAL 522 CO 0.08 0.57 0.79 -0.04 0.02 0.00 0.00 177.57 179.00 1dqa s MET 523 N -3.25 4.24 -0.22 1.57 -1.94 -0.57 -0.14 119.30 118.99 1dqa s MET 523 Ca -0.14 2.34 0.00 0.00 -1.71 0.00 0.00 55.69 56.18 1dqa s MET 523 Cb 0.03 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.76 1dqa s MET 523 CO 0.80 -0.47 0.00 0.41 -0.01 0.00 0.00 175.02 175.74 1dqa n GLY 524 N 2.43 0.48 0.00 -0.03 0.00 -1.26 -4.72 105.19 102.10 1dqa n GLY 524 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1dqa n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa n ALA 525 N 1.04 1.12 0.00 4.61 0.00 -0.95 -5.03 120.51 121.29 1dqa n ALA 525 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1dqa n ALA 525 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1dqa n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dqa s GLU 528 N -1.24 1.70 -1.42 0.00 8.01 -1.26 -4.47 118.70 120.02 1dqa s GLU 528 Ca -0.03 -1.82 -0.02 0.00 0.01 0.00 0.00 54.97 53.11 1dqa s GLU 528 Cb -0.00 -1.68 0.02 0.00 -4.31 0.00 0.00 34.13 28.15 1dqa s GLU 528 CO 0.02 0.24 0.51 -1.71 0.01 0.00 0.00 175.26 174.34 1dqa n ASN 529 N -0.66 -0.84 -4.71 -0.19 5.15 -1.26 -4.87 115.26 107.88 1dqa n ASN 529 Ca -0.05 -0.97 -0.42 0.00 -0.60 0.00 0.00 54.58 52.54 1dqa n ASN 529 Cb 0.61 -3.21 -0.03 0.00 -0.53 0.00 0.00 39.78 36.62 1dqa n ASN 529 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dqa s VAL 530 N -3.84 3.37 -0.30 3.44 1.01 -1.26 -4.94 120.40 117.88 1dqa s VAL 530 Ca 0.09 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.07 1dqa s VAL 530 Cb -0.05 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1dqa s VAL 530 CO 0.88 0.07 0.78 2.30 0.00 0.00 0.00 175.10 179.13 1dqa n ILE 531 N 3.99 0.40 -1.50 2.22 -5.35 -1.26 -4.61 119.36 113.24 1dqa n ILE 531 Ca 0.11 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1dqa n ILE 531 Cb 0.43 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 1dqa n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dqa n GLY 532 N -0.00 0.30 3.08 3.28 0.00 -1.26 -4.80 105.19 105.80 1dqa n GLY 532 Ca 0.02 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1dqa n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqa s TYR 533 N -3.16 0.66 -0.30 1.61 -0.85 -0.35 -4.96 117.35 110.00 1dqa s TYR 533 Ca 0.00 -0.69 -0.06 0.00 -0.52 0.00 0.00 57.07 55.80 1dqa s TYR 533 Cb 0.00 -0.40 0.02 0.00 0.38 0.00 0.00 41.96 41.96 1dqa s TYR 533 CO 0.00 -0.15 0.06 1.41 -1.52 0.00 0.00 175.55 175.35 1dqa s MET 534 N -2.49 2.85 -0.09 -3.49 -2.45 -1.26 -4.15 119.30 108.22 1dqa s MET 534 Ca -0.03 -1.01 -0.30 0.00 -1.25 0.00 0.00 55.69 53.11 1dqa s MET 534 Cb -0.03 -3.34 -0.02 0.00 1.25 0.00 0.00 34.83 32.68 1dqa s MET 534 CO -0.03 -0.52 1.19 -2.14 1.05 0.00 0.00 175.02 174.57 1dqa s PRO 535 N 1.43 4.32 -0.19 4.11 0.02 -1.26 -5.03 135.00 138.40 1dqa s PRO 535 Ca 0.00 1.63 -0.03 0.00 0.02 0.00 0.00 61.00 62.63 1dqa s PRO 535 Cb -0.18 -3.61 -0.01 0.00 0.02 0.00 0.00 34.50 30.72 1dqa s PRO 535 CO 0.01 -0.51 -0.07 0.42 -0.33 0.00 0.00 177.00 176.53 1dqa s ILE 536 N 2.55 3.33 0.31 2.83 -1.09 -1.26 -5.09 121.20 122.78 1dqa s ILE 536 Ca 0.54 -0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 58.15 1dqa s ILE 536 Cb -0.23 -2.48 -0.12 0.00 -1.58 0.00 0.00 42.46 38.05 1dqa s ILE 536 CO 0.19 0.46 1.35 -2.65 -1.23 0.00 0.00 174.94 173.06 1dqa n PRO 537 N 4.34 2.17 -4.72 2.79 -0.02 -1.25 -4.73 135.00 133.57 1dqa n PRO 537 Ca -0.18 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 1dqa n PRO 537 Cb 0.51 -2.39 -0.16 0.00 -0.02 0.00 0.00 33.50 31.45 1dqa n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dqa s VAL 538 N -0.75 2.57 0.48 -1.45 1.01 -1.26 -0.87 120.40 120.13 1dqa s VAL 538 Ca 0.59 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1dqa s VAL 538 Cb -0.58 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1dqa s VAL 538 CO 0.58 0.53 0.16 -0.83 0.00 0.00 0.00 175.10 175.54 1dqa s GLY 539 N 0.63 2.62 -0.03 4.51 0.00 0.00 -4.92 107.32 110.14 1dqa s GLY 539 Ca -0.09 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1dqa s GLY 539 CO 0.03 -2.05 -0.14 0.54 0.00 0.00 0.00 173.10 171.48 1dqa s VAL 540 N -2.76 1.12 -0.07 1.40 0.11 -1.26 -1.49 120.40 117.44 1dqa s VAL 540 Ca 0.25 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 1dqa s VAL 540 Cb 0.02 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1dqa s VAL 540 CO 0.14 0.33 -0.23 0.00 -3.33 0.00 0.00 175.10 172.01 1dqa s ALA 541 N -0.01 2.07 0.00 1.54 0.00 -0.55 -4.92 121.76 119.89 1dqa s ALA 541 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1dqa s ALA 541 Cb -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1dqa s ALA 541 CO 0.01 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1dqa n GLY 542 N 3.21 -0.30 3.76 0.00 0.00 -1.26 -1.11 105.19 109.50 1dqa n GLY 542 Ca -0.18 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1dqa n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqa s PRO 543 N -1.68 4.42 -0.41 1.61 0.04 -1.26 -4.92 135.00 132.80 1dqa s PRO 543 Ca 0.00 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 1dqa s PRO 543 Cb 0.00 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1dqa s PRO 543 CO 0.00 -0.01 0.52 -1.17 0.04 0.00 0.00 177.00 176.37 1dqa s LEU 544 N -1.84 4.64 -0.56 -3.56 2.96 0.11 -4.63 118.68 115.80 1dqa s LEU 544 Ca 0.49 -0.44 -0.25 0.00 -0.22 0.00 0.00 54.13 53.72 1dqa s LEU 544 Cb -0.33 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 43.87 1dqa s LEU 544 CO 0.42 -0.62 0.98 0.00 -1.32 0.00 0.00 176.35 175.81 1dqa s LEU 546 N 4.10 0.68 -1.35 0.00 2.96 0.05 -0.61 118.68 124.51 1dqa s LEU 546 Ca 0.32 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1dqa s LEU 546 Cb -0.12 -0.21 -0.00 0.00 0.50 0.00 0.00 46.19 46.36 1dqa s LEU 546 CO 0.20 -0.17 0.55 0.47 -1.32 0.00 0.00 176.35 176.07 1dqa n ASP 547 N 4.74 -1.01 -0.21 3.68 8.00 -0.25 -1.15 116.55 130.35 1dqa n ASP 547 Ca -0.15 -0.94 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 1dqa n ASP 547 Cb 0.50 -3.45 -0.01 0.00 -0.02 0.00 0.00 41.12 38.14 1dqa n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dqa n GLU 548 N -4.33 -1.46 -4.53 -1.24 1.02 -1.26 -4.99 120.64 103.85 1dqa n GLU 548 Ca -0.29 0.50 -0.26 0.00 -0.02 0.00 0.00 57.16 57.09 1dqa n GLU 548 Cb 0.68 -4.65 -0.10 0.00 -0.02 0.00 0.00 31.44 27.35 1dqa n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dqa s LYS 549 N -1.83 1.85 -0.11 3.49 1.02 -0.30 -5.14 119.74 118.71 1dqa s LYS 549 Ca 0.00 -1.94 0.02 0.00 0.02 0.00 0.00 55.97 54.07 1dqa s LYS 549 Cb 0.00 -1.72 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 1dqa s LYS 549 CO 0.00 0.13 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.17 1dqa s GLU 550 N -3.62 2.45 0.03 1.68 2.02 -1.26 -0.77 118.70 119.22 1dqa s GLU 550 Ca 0.33 -0.65 0.08 0.00 0.02 0.00 0.00 54.97 54.74 1dqa s GLU 550 Cb 0.03 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1dqa s GLU 550 CO 0.17 -0.03 -0.21 -0.06 0.02 0.00 0.00 175.26 175.16 1dqa s PHE 551 N 0.87 2.48 -0.40 1.61 0.40 -0.08 -4.88 117.98 117.99 1dqa s PHE 551 Ca -0.08 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 1dqa s PHE 551 Cb -0.15 -1.46 0.09 0.00 0.51 0.00 0.00 43.02 42.01 1dqa s PHE 551 CO -0.00 0.19 0.21 -0.65 0.70 0.00 0.00 175.22 175.67 1dqa s GLN 552 N -1.27 2.39 -0.27 0.44 -1.52 -1.26 0.05 119.66 118.22 1dqa s GLN 552 Ca 0.13 -1.57 -0.21 0.00 -1.95 0.00 0.00 55.36 51.76 1dqa s GLN 552 Cb -0.10 -3.65 -0.01 0.00 -0.22 0.00 0.00 33.01 29.02 1dqa s GLN 552 CO 0.04 -0.96 0.67 0.08 -0.25 0.00 0.00 175.29 174.86 1dqa s VAL 553 N 1.31 4.94 0.16 1.09 1.01 -0.27 -4.63 120.40 124.01 1dqa s VAL 553 Ca 0.04 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.88 1dqa s VAL 553 Cb -0.23 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1dqa s VAL 553 CO -0.01 -0.05 0.83 -2.16 0.00 0.00 0.00 175.10 173.71 1dqa s PRO 554 N 2.62 4.64 -0.09 2.72 0.04 -1.26 -1.48 135.00 142.19 1dqa s PRO 554 Ca 0.28 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1dqa s PRO 554 Cb -0.15 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 31.14 1dqa s PRO 554 CO 0.09 0.49 0.04 -1.64 0.04 0.00 0.00 177.00 176.03 1dqa s MET 555 N -0.91 0.28 -0.30 4.56 -1.94 -0.56 -4.41 119.30 116.02 1dqa s MET 555 Ca 0.38 0.12 -0.16 0.00 -1.71 0.00 0.00 55.69 54.32 1dqa s MET 555 Cb -0.23 -1.06 -0.02 0.00 2.01 0.00 0.00 34.83 35.52 1dqa s MET 555 CO 0.28 -0.41 0.42 0.00 -0.01 0.00 0.00 175.02 175.29 1dqa s ALA 556 N 2.06 3.54 0.21 3.03 0.00 -0.47 -0.82 121.76 129.31 1dqa s ALA 556 Ca 0.04 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 1dqa s ALA 556 Cb -0.13 -2.81 0.05 0.00 0.00 0.00 0.00 23.12 20.22 1dqa s ALA 556 CO -0.05 -0.85 0.64 -0.08 0.00 0.00 0.00 175.76 175.41 1dqa s THR 557 N 2.15 0.00 0.00 0.00 -1.32 -0.05 -4.24 115.64 112.19 1dqa s THR 557 Ca 0.16 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1dqa s THR 557 Cb -0.16 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 1dqa s THR 557 CO 0.11 -0.02 0.87 0.35 -2.21 0.00 0.00 174.62 173.73 1dqa n THR 558 N -0.41 0.76 -3.15 5.08 -2.24 -1.26 -3.90 114.28 109.16 1dqa n THR 558 Ca -0.11 -0.86 -0.43 0.00 -2.27 0.00 0.00 64.05 60.38 1dqa n THR 558 Cb 0.62 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 1dqa n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1dqa s GLU 559 N -0.76 3.26 0.66 -0.78 2.12 -1.26 -5.04 118.70 116.91 1dqa s GLU 559 Ca 0.00 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 1dqa s GLU 559 Cb 0.00 -3.95 -0.00 0.00 0.26 0.00 0.00 34.13 30.44 1dqa s GLU 559 CO 0.00 -0.97 1.28 0.20 -0.54 0.00 0.00 175.26 175.23 1dqa s GLY 560 N 1.96 2.77 0.00 -1.50 0.00 -1.26 -2.82 107.32 106.48 1dqa s GLY 560 Ca 0.21 1.16 0.00 0.00 0.00 0.00 0.00 44.72 46.09 1dqa s GLY 560 CO 0.18 1.58 0.00 0.00 0.00 0.00 0.00 173.10 174.86 1dqa h LEU 562 N 0.00 -0.46 -0.72 0.00 5.85 -1.93 0.55 115.31 118.60 1dqa h LEU 562 Ca 0.00 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1dqa h LEU 562 Cb 0.00 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1dqa h LEU 562 CO 0.00 -0.28 0.07 0.58 -0.34 0.00 0.00 178.44 178.47 1dqa h VAL 563 N -0.42 1.26 -0.38 1.05 2.07 -1.91 -1.23 116.25 116.68 1dqa h VAL 563 Ca -0.01 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1dqa h VAL 563 Cb 0.37 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1dqa h VAL 563 CO -0.01 0.39 0.21 0.00 0.02 0.00 0.00 177.57 178.18 1dqa h ALA 564 N 1.08 0.49 -0.19 1.67 0.00 -1.89 -0.53 119.26 119.89 1dqa h ALA 564 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1dqa h ALA 564 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1dqa h ALA 564 CO 0.02 0.02 0.06 1.03 0.00 0.00 0.00 179.25 180.38 1dqa h SER 565 N 0.48 0.27 -0.72 0.00 0.87 -0.70 -0.83 113.55 112.93 1dqa h SER 565 Ca 0.13 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1dqa h SER 565 Cb 0.06 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1dqa h SER 565 CO -0.02 0.40 0.35 0.74 -0.53 0.00 0.00 176.83 177.77 1dqa h THR 566 N 0.13 1.23 -0.65 2.23 2.02 -1.11 -1.06 112.91 115.69 1dqa h THR 566 Ca 0.06 -0.65 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 1dqa h THR 566 Cb 0.22 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1dqa h THR 566 CO -0.00 0.28 0.11 -1.13 0.37 0.00 0.00 175.52 175.14 1dqa h ASN 567 N 1.04 1.03 -0.45 4.18 -1.24 -0.90 -0.98 115.58 118.26 1dqa h ASN 567 Ca 0.25 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1dqa h ASN 567 Cb 0.10 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 1dqa h ASN 567 CO -0.03 1.03 0.21 -0.09 -1.29 0.00 0.00 177.43 177.26 1dqa h ARG 568 N 0.99 0.66 -0.64 6.67 2.43 -0.44 -0.80 114.38 123.26 1dqa h ARG 568 Ca 0.20 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1dqa h ARG 568 Cb 0.44 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1dqa h ARG 568 CO 0.01 0.57 0.42 0.78 -1.51 0.00 0.00 179.97 180.24 1dqa h GLY 569 N 0.59 0.90 0.91 2.80 0.00 -0.91 -0.88 103.07 106.47 1dqa h GLY 569 Ca 0.15 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.17 1dqa h GLY 569 CO -0.02 0.33 0.50 0.00 0.00 0.00 0.00 176.54 177.35 1dqa h ARG 571 N 0.98 0.93 -0.35 0.00 9.65 -0.55 0.16 114.38 125.20 1dqa h ARG 571 Ca 0.30 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 1dqa h ARG 571 Cb -0.02 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.34 1dqa h ARG 571 CO -0.10 0.63 0.10 0.00 2.80 0.00 0.00 179.97 183.40 1dqa h ALA 572 N 1.25 0.46 -0.84 2.80 0.00 -0.66 -1.82 119.26 120.44 1dqa h ALA 572 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dqa h ALA 572 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1dqa h ALA 572 CO -0.05 0.12 0.54 0.82 0.00 0.00 0.00 179.25 180.68 1dqa h ILE 573 N 0.41 1.22 -0.40 0.00 2.04 -0.96 -2.33 117.51 117.49 1dqa h ILE 573 Ca 0.11 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1dqa h ILE 573 Cb 0.28 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1dqa h ILE 573 CO -0.00 0.22 0.12 1.23 0.00 0.00 0.00 178.15 179.72 1dqa h GLY 574 N 1.14 0.68 2.00 5.37 0.00 -0.75 -0.97 103.07 110.54 1dqa h GLY 574 Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1dqa h GLY 574 CO -0.06 0.38 0.00 1.41 0.00 0.00 0.00 176.54 178.27 1dqa h LEU 575 N 0.51 0.00 -1.66 3.11 3.38 -1.21 -2.29 115.31 117.15 1dqa h LEU 575 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1dqa h LEU 575 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1dqa h LEU 575 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1dqa n GLY 576 N -0.16 1.11 1.18 0.83 0.00 -0.78 -4.88 105.19 102.49 1dqa n GLY 576 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1dqa n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 577 N 1.22 0.75 0.00 -0.02 0.00 -0.86 -4.69 105.19 101.59 1dqa n GLY 577 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1dqa n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 578 N -2.25 1.06 3.75 -0.02 0.00 -0.44 -5.02 105.19 102.27 1dqa n GLY 578 Ca 0.00 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1dqa n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa s ALA 579 N -2.44 3.42 -0.01 4.61 0.00 0.22 -4.58 121.76 122.98 1dqa s ALA 579 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1dqa s ALA 579 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 1dqa s ALA 579 CO 0.00 0.35 -0.17 -1.12 0.00 0.00 0.00 175.76 174.83 1dqa s SER 580 N -3.47 1.94 0.09 0.00 0.01 -0.49 -1.09 113.70 110.70 1dqa s SER 580 Ca 0.31 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.27 1dqa s SER 580 Cb -0.08 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1dqa s SER 580 CO 0.22 0.20 -0.04 -0.94 0.41 0.00 0.00 173.24 173.09 1dqa s SER 581 N -0.42 0.84 -0.08 2.44 1.04 -1.26 -1.30 113.70 114.95 1dqa s SER 581 Ca 0.06 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 1dqa s SER 581 Cb -0.06 0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1dqa s SER 581 CO -0.01 -0.55 0.20 -0.13 0.98 0.00 0.00 173.24 173.74 1dqa s ARG 582 N -3.89 0.21 -0.14 4.02 1.81 -0.16 -5.00 118.95 115.82 1dqa s ARG 582 Ca 0.12 0.34 -0.21 0.00 -1.72 0.00 0.00 55.73 54.26 1dqa s ARG 582 Cb 0.07 0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1dqa s ARG 582 CO -0.05 -0.07 0.62 0.08 -0.68 0.00 0.00 175.30 175.19 1dqa s VAL 583 N 0.44 5.07 -0.12 3.52 1.01 -1.26 -1.69 120.40 127.37 1dqa s VAL 583 Ca -0.03 1.21 0.19 0.00 0.00 0.00 0.00 61.98 63.36 1dqa s VAL 583 Cb -0.04 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.17 1dqa s VAL 583 CO -0.02 0.21 0.53 0.18 0.00 0.00 0.00 175.10 176.00 1dqa n LEU 584 N 4.30 0.36 -3.52 3.92 4.77 0.29 -5.00 117.00 122.13 1dqa n LEU 584 Ca -0.03 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1dqa n LEU 584 Cb 0.51 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1dqa n LEU 584 CO 0.45 0.17 0.66 0.00 -1.33 0.00 0.00 177.39 177.34 1dqa s ALA 585 N -3.03 -1.83 -0.21 -1.18 0.00 -1.21 -4.95 121.76 109.36 1dqa s ALA 585 Ca -0.06 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 1dqa s ALA 585 Cb 0.10 0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.41 1dqa s ALA 585 CO 0.85 -0.55 0.33 0.34 0.00 0.00 0.00 175.76 176.72 1dqa s ASP 586 N -1.97 0.47 -0.30 0.00 2.15 -1.25 -1.54 116.67 114.24 1dqa s ASP 586 Ca 0.01 0.28 -0.18 0.00 0.43 0.00 0.00 52.55 53.09 1dqa s ASP 586 Cb -0.01 0.90 0.18 0.00 -0.30 0.00 0.00 42.92 43.69 1dqa s ASP 586 CO -0.04 -0.29 1.22 -0.83 -0.17 0.00 0.00 175.17 175.06 1dqa s GLY 587 N 2.48 -0.04 0.62 2.66 0.00 0.23 -4.53 107.32 108.74 1dqa s GLY 587 Ca 0.08 3.21 -0.14 0.00 0.00 0.00 0.00 44.72 47.86 1dqa s GLY 587 CO -0.13 3.86 1.05 -0.29 0.00 0.00 0.00 173.10 177.59 1dqa s MET 588 N 2.82 3.27 0.15 2.90 1.75 -0.38 -0.63 119.30 129.18 1dqa s MET 588 Ca -0.07 1.10 0.03 0.00 -1.25 0.00 0.00 55.69 55.50 1dqa s MET 588 Cb -0.07 -2.03 -0.05 0.00 2.84 0.00 0.00 34.83 35.52 1dqa s MET 588 CO -0.09 -0.84 -0.05 0.95 -0.65 0.00 0.00 175.02 174.34 1dqa s THR 589 N -2.65 0.89 -0.06 10.11 -4.23 -1.26 -1.48 115.64 116.96 1dqa s THR 589 Ca 0.61 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1dqa s THR 589 Cb -0.15 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.78 1dqa s THR 589 CO 0.42 -0.64 0.14 -0.60 -0.54 0.00 0.00 174.62 173.39 1dqa s ARG 590 N -3.83 0.10 -0.62 3.99 6.06 -0.92 -4.89 118.95 118.83 1dqa s ARG 590 Ca 0.19 0.33 0.05 0.00 -2.50 0.00 0.00 55.73 53.81 1dqa s ARG 590 Cb 0.05 -0.14 0.19 0.00 0.06 0.00 0.00 34.95 35.10 1dqa s ARG 590 CO 0.01 -0.14 0.51 0.41 -2.50 0.00 0.00 175.30 173.59 1dqa n GLY 591 N 4.00 3.72 3.74 8.12 0.00 -1.26 -0.92 105.19 122.60 1dqa n GLY 591 Ca -0.24 -2.32 -0.31 0.00 0.00 0.00 0.00 46.02 43.15 1dqa n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dqa s PRO 592 N -1.32 1.88 -0.11 1.61 0.04 -1.14 0.08 135.00 136.04 1dqa s PRO 592 Ca 0.29 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1dqa s PRO 592 Cb 0.02 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1dqa s PRO 592 CO -0.15 -1.94 -0.19 0.54 0.04 0.00 0.00 177.00 175.30 1dqa s VAL 593 N -2.83 2.46 0.28 -0.36 0.11 -0.80 -2.33 120.40 116.93 1dqa s VAL 593 Ca 0.63 -0.87 0.06 0.00 -2.93 0.00 0.00 61.98 58.86 1dqa s VAL 593 Cb -0.19 -1.98 -0.06 0.00 -1.53 0.00 0.00 36.38 32.62 1dqa s VAL 593 CO 0.57 0.54 -0.03 0.68 -3.33 0.00 0.00 175.10 173.53 1dqa s VAL 594 N 0.36 1.48 0.03 2.04 -7.23 -0.32 -1.91 120.40 114.85 1dqa s VAL 594 Ca -0.15 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 57.94 1dqa s VAL 594 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1dqa s VAL 594 CO 0.07 -0.25 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.44 1dqa s ARG 595 N -3.78 0.37 0.36 4.82 0.52 0.19 -0.85 118.95 120.58 1dqa s ARG 595 Ca 0.31 -0.60 0.09 0.00 -0.52 0.00 0.00 55.73 55.00 1dqa s ARG 595 Cb 0.05 -0.06 -0.06 0.00 0.52 0.00 0.00 34.95 35.41 1dqa s ARG 595 CO 0.12 -0.01 0.02 -0.51 0.02 0.00 0.00 175.30 174.94 1dqa s LEU 596 N -1.35 2.95 0.27 2.53 2.01 -0.67 -0.29 118.68 124.12 1dqa s LEU 596 Ca -0.12 -1.08 -0.02 0.00 0.01 0.00 0.00 54.13 52.92 1dqa s LEU 596 Cb -0.09 -1.26 0.44 0.00 0.01 0.00 0.00 46.19 45.30 1dqa s LEU 596 CO -0.00 -0.29 1.87 -0.65 1.01 0.00 0.00 176.35 178.28 1dqa h PRO 597 N 1.79 1.09 -4.38 1.29 0.11 -1.88 -3.45 132.00 126.57 1dqa h PRO 597 Ca -0.43 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1dqa h PRO 597 Cb 1.25 -0.25 -0.15 0.00 0.11 0.00 0.00 31.00 31.96 1dqa h PRO 597 CO 0.69 0.72 -0.67 1.03 -0.21 0.00 0.00 178.00 179.57 1dqa s ARG 598 N -6.02 0.78 0.37 1.05 1.81 -1.26 -4.99 118.95 110.69 1dqa s ARG 598 Ca -0.12 -1.33 0.06 0.00 -1.72 0.00 0.00 55.73 52.61 1dqa s ARG 598 Cb 0.21 0.16 0.71 0.00 -0.45 0.00 0.00 34.95 35.58 1dqa s ARG 598 CO 0.81 -0.16 1.94 0.00 -0.68 0.00 0.00 175.30 177.21 1dqa h ALA 599 N 3.00 1.50 0.00 2.13 0.00 -1.87 -1.19 119.26 122.83 1dqa h ALA 599 Ca -0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1dqa h ALA 599 Cb 1.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1dqa h ALA 599 CO 0.63 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 180.13 1dqa h ASP 601 N 0.00 0.57 0.01 0.00 3.32 -1.65 -3.01 116.42 115.66 1dqa h ASP 601 Ca -0.00 -0.86 -0.06 0.00 0.02 0.00 0.00 57.03 56.13 1dqa h ASP 601 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1dqa h ASP 601 CO 0.02 1.38 -0.14 0.77 -1.72 0.00 0.00 179.24 179.54 1dqa h SER 602 N -0.15 0.27 -0.54 6.45 4.64 -1.08 -1.35 113.55 121.79 1dqa h SER 602 Ca -0.13 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1dqa h SER 602 Cb 1.58 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.58 1dqa h SER 602 CO 0.16 0.43 0.17 0.00 -0.87 0.00 0.00 176.83 176.72 1dqa h ALA 603 N 1.60 1.21 -0.34 5.18 0.00 -1.14 -0.02 119.26 125.74 1dqa h ALA 603 Ca 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1dqa h ALA 603 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1dqa h ALA 603 CO 0.02 0.55 -0.01 1.49 0.00 0.00 0.00 179.25 181.31 1dqa h GLU 604 N 0.85 0.61 -0.69 0.00 4.81 -1.14 -1.92 114.58 117.10 1dqa h GLU 604 Ca 0.19 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1dqa h GLU 604 Cb 0.26 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1dqa h GLU 604 CO -0.01 0.73 0.35 0.28 -0.73 0.00 0.00 179.01 179.64 1dqa h VAL 605 N 0.41 1.22 -0.47 0.32 2.07 -0.91 -0.74 116.25 118.15 1dqa h VAL 605 Ca 0.10 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1dqa h VAL 605 Cb 0.46 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1dqa h VAL 605 CO 0.02 0.25 0.29 0.50 0.02 0.00 0.00 177.57 178.65 1dqa h LYS 606 N 0.95 0.56 -0.52 1.57 3.64 -0.86 -0.61 116.57 121.31 1dqa h LYS 606 Ca 0.24 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1dqa h LYS 606 Cb 0.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1dqa h LYS 606 CO -0.03 0.37 0.34 0.00 -2.27 0.00 0.00 179.45 177.85 1dqa h ALA 607 N 1.20 0.66 -0.27 5.00 0.00 -0.98 -1.86 119.26 123.01 1dqa h ALA 607 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dqa h ALA 607 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dqa h ALA 607 CO -0.07 0.09 0.16 2.35 0.00 0.00 0.00 179.25 181.78 1dqa h TRP 608 N 0.69 0.35 0.00 0.00 7.01 -0.70 -1.79 115.95 121.51 1dqa h TRP 608 Ca 0.19 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1dqa h TRP 608 Cb -0.07 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1dqa h TRP 608 CO -0.04 0.25 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.77 1dqa h LEU 609 N 0.34 0.00 -0.75 0.65 3.38 -0.87 -2.14 115.31 115.92 1dqa h LEU 609 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dqa h LEU 609 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dqa h LEU 609 CO -0.02 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1dqa n GLU 610 N -3.18 1.51 -3.45 1.13 1.02 -0.68 -4.08 120.64 112.91 1dqa n GLU 610 Ca -0.02 -0.75 -0.31 0.00 -0.02 0.00 0.00 57.16 56.07 1dqa n GLU 610 Cb 0.18 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 1dqa n GLU 610 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dqa s THR 611 N -1.97 5.00 0.38 2.62 -4.23 -0.80 -4.98 115.64 111.66 1dqa s THR 611 Ca 0.39 0.30 0.07 0.00 -1.18 0.00 0.00 61.69 61.26 1dqa s THR 611 Cb 0.20 -3.64 0.20 0.00 1.34 0.00 0.00 72.50 70.60 1dqa s THR 611 CO 0.32 -0.10 1.96 0.77 -0.54 0.00 0.00 174.62 177.03 1dqa h SER 612 N 2.41 0.41 -0.08 3.99 4.64 -1.89 -0.28 113.55 122.75 1dqa h SER 612 Ca -0.47 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.58 1dqa h SER 612 Cb 1.17 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1dqa h SER 612 CO 0.69 0.43 -0.76 1.05 -0.87 0.00 0.00 176.83 177.37 1dqa h GLU 613 N 0.45 0.73 -0.43 4.77 9.09 -1.94 -0.66 114.58 126.60 1dqa h GLU 613 Ca 0.11 -0.59 -0.10 0.00 0.05 0.00 0.00 59.36 58.83 1dqa h GLU 613 Cb 0.19 0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1dqa h GLU 613 CO -0.00 1.20 -0.12 0.78 0.05 0.00 0.00 179.01 180.92 1dqa h GLY 614 N 0.70 0.90 1.51 1.06 0.00 -1.61 -2.07 103.07 103.57 1dqa h GLY 614 Ca -0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 1dqa h GLY 614 CO 0.15 0.69 -0.10 -2.75 0.00 0.00 0.00 176.54 174.53 1dqa h PHE 615 N 0.66 0.63 -0.14 5.60 3.57 -1.03 -2.52 116.94 123.71 1dqa h PHE 615 Ca 0.11 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dqa h PHE 615 Cb 0.66 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1dqa h PHE 615 CO 0.05 0.67 0.07 0.00 -2.23 0.00 0.00 178.31 176.87 1dqa h ALA 616 N 1.35 0.18 -0.89 2.41 0.00 -0.75 0.10 119.26 121.68 1dqa h ALA 616 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dqa h ALA 616 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1dqa h ALA 616 CO 0.03 -0.26 0.46 -0.39 0.00 0.00 0.00 179.25 179.09 1dqa h VAL 617 N 0.11 1.26 -0.38 0.00 -1.51 -1.26 -1.19 116.25 113.28 1dqa h VAL 617 Ca 0.05 -0.68 -0.06 0.00 -1.23 0.00 0.00 66.70 64.78 1dqa h VAL 617 Cb 0.11 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.34 1dqa h VAL 617 CO -0.01 0.30 0.02 0.40 -1.23 0.00 0.00 177.57 177.05 1dqa h ILE 618 N 1.25 1.25 -0.73 7.19 1.08 -1.17 -2.59 117.51 123.80 1dqa h ILE 618 Ca 0.31 -0.96 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1dqa h ILE 618 Cb 0.06 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 1dqa h ILE 618 CO -0.05 0.32 0.47 0.50 -0.69 0.00 0.00 178.15 178.71 1dqa h LYS 619 N 0.48 0.93 -0.30 2.37 3.64 -0.48 -0.08 116.57 123.13 1dqa h LYS 619 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1dqa h LYS 619 Cb 0.44 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1dqa h LYS 619 CO 0.02 0.61 0.19 1.49 -2.27 0.00 0.00 179.45 179.49 1dqa h GLU 620 N 0.95 0.38 -0.29 1.90 4.81 -1.08 0.10 114.58 121.35 1dqa h GLU 620 Ca 0.27 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1dqa h GLU 620 Cb -0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1dqa h GLU 620 CO -0.07 0.25 -0.06 0.00 -0.73 0.00 0.00 179.01 178.40 1dqa h ALA 621 N 1.11 0.40 0.18 2.92 0.00 -1.26 -2.71 119.26 119.90 1dqa h ALA 621 Ca 0.11 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1dqa h ALA 621 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dqa h ALA 621 CO -0.03 0.21 -0.24 0.35 0.00 0.00 0.00 179.25 179.54 1dqa h PHE 622 N 0.32 -0.64 0.00 0.00 3.57 -0.62 -2.98 116.94 116.59 1dqa h PHE 622 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1dqa h PHE 622 Cb 0.53 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1dqa h PHE 622 CO 0.05 -0.35 -0.12 -0.44 -2.23 0.00 0.00 178.31 175.22 1dqa h ASP 623 N -0.48 0.00 0.13 0.41 5.19 -0.83 -3.06 116.42 117.78 1dqa h ASP 623 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1dqa h ASP 623 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1dqa h ASP 623 CO -0.09 0.12 0.00 0.77 -3.12 0.00 0.00 179.24 176.91 1dqa h SER 624 N 0.00 0.00 0.43 6.45 4.64 -1.32 -2.43 113.55 121.32 1dqa h SER 624 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqa h SER 624 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1dqa h SER 624 CO 0.02 0.00 -0.16 0.35 -0.87 0.00 0.00 176.83 176.17 1dqa n THR 625 N -2.48 0.00 -3.57 2.95 -2.24 -1.16 -4.94 114.28 102.83 1dqa n THR 625 Ca -0.01 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1dqa n THR 625 Cb 0.08 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1dqa n THR 625 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dqa s SER 626 N -2.59 -0.38 0.11 3.42 0.15 -0.92 -4.97 113.70 108.53 1dqa s SER 626 Ca 0.25 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 57.09 1dqa s SER 626 Cb 0.20 0.50 0.57 0.00 -1.71 0.00 0.00 66.02 65.58 1dqa s SER 626 CO 0.51 -0.82 1.51 0.54 1.20 0.00 0.00 173.24 176.18 1dqa n ARG 627 N 0.02 0.21 -0.02 5.44 3.00 -1.26 -4.43 116.66 119.62 1dqa n ARG 627 Ca -0.17 0.09 -0.02 0.00 -0.01 0.00 0.00 57.85 57.74 1dqa n ARG 627 Cb 0.62 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 31.39 1dqa n ARG 627 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1dqa n PHE 628 N -1.99 0.00 -2.00 -1.55 3.01 -1.26 -4.99 117.46 108.69 1dqa n PHE 628 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.08 1dqa n PHE 628 Cb 0.41 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1dqa n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dqa s ALA 629 N -2.09 3.17 -0.18 4.37 0.00 -1.26 -4.12 121.76 121.65 1dqa s ALA 629 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1dqa s ALA 629 Cb 0.01 -3.90 0.04 0.00 0.00 0.00 0.00 23.12 19.27 1dqa s ALA 629 CO 0.13 -2.13 -0.07 1.03 0.00 0.00 0.00 175.76 174.72 1dqa s ARG 630 N 5.01 1.68 0.08 0.00 3.00 -1.14 -4.49 118.95 123.09 1dqa s ARG 630 Ca 0.78 -0.67 -0.31 0.00 0.00 0.00 0.00 55.73 55.53 1dqa s ARG 630 Cb -0.27 -2.20 -0.08 0.00 0.00 0.00 0.00 34.95 32.39 1dqa s ARG 630 CO 0.32 -0.44 1.64 -1.17 0.00 0.00 0.00 175.30 175.65 1dqa s LEU 631 N 1.53 4.37 -0.25 2.53 2.96 -1.26 -1.95 118.68 126.60 1dqa s LEU 631 Ca -0.00 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1dqa s LEU 631 Cb -0.16 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.80 1dqa s LEU 631 CO -0.08 -0.87 -0.24 0.00 -1.32 0.00 0.00 176.35 173.84 1dqa n GLN 632 N 5.35 0.62 -3.80 1.98 1.13 0.77 -4.96 117.38 118.46 1dqa n GLN 632 Ca 0.15 0.16 -0.05 0.00 -1.94 0.00 0.00 57.00 55.32 1dqa n GLN 632 Cb 0.40 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.25 1dqa n GLN 632 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1dqa s LYS 633 N -2.50 1.43 0.01 -1.09 -2.85 -0.98 -5.03 119.74 108.73 1dqa s LYS 633 Ca -0.34 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 53.85 1dqa s LYS 633 Cb 0.09 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.32 1dqa s LYS 633 CO 0.57 -0.66 -0.13 -0.51 0.10 0.00 0.00 175.35 174.72 1dqa s LEU 634 N -3.00 2.09 -0.18 2.77 1.02 -1.26 -1.26 118.68 118.87 1dqa s LEU 634 Ca 0.13 -0.33 -0.00 0.00 0.02 0.00 0.00 54.13 53.95 1dqa s LEU 634 Cb -0.03 -0.64 0.04 0.00 0.02 0.00 0.00 46.19 45.59 1dqa s LEU 634 CO 0.04 0.10 -0.06 -2.28 0.02 0.00 0.00 176.35 174.18 1dqa s HIS 635 N -0.54 1.88 -0.13 0.29 5.65 -0.56 -4.97 115.29 116.92 1dqa s HIS 635 Ca 0.03 -1.23 -0.00 0.00 0.25 0.00 0.00 55.06 54.11 1dqa s HIS 635 Cb -0.06 -1.39 -0.02 0.00 -1.18 0.00 0.00 32.58 29.93 1dqa s HIS 635 CO 0.00 -0.65 -0.11 0.99 -0.65 0.00 0.00 174.74 174.32 1dqa s THR 636 N 1.57 3.21 0.03 0.89 2.01 -1.26 0.00 115.64 122.10 1dqa s THR 636 Ca -0.00 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1dqa s THR 636 Cb -0.16 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1dqa s THR 636 CO -0.08 0.53 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.85 1dqa s SER 637 N 0.24 1.00 0.08 3.53 0.01 -0.14 -4.99 113.70 113.44 1dqa s SER 637 Ca -0.08 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1dqa s SER 637 Cb -0.15 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1dqa s SER 637 CO 0.05 -0.06 0.06 -0.63 0.41 0.00 0.00 173.24 173.07 1dqa s ILE 638 N -0.85 4.39 -0.40 1.44 1.01 -1.26 -0.67 121.20 124.85 1dqa s ILE 638 Ca -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1dqa s ILE 638 Cb -0.07 -3.11 0.16 0.00 0.01 0.00 0.00 42.46 39.45 1dqa s ILE 638 CO 0.00 0.12 0.34 0.00 0.00 0.00 0.00 174.94 175.41 1dqa s ALA 639 N -1.38 0.85 0.00 9.38 0.00 -0.86 -4.99 121.76 124.76 1dqa s ALA 639 Ca 0.28 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1dqa s ALA 639 Cb -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1dqa s ALA 639 CO 0.21 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.34 1dqa n GLY 640 N 3.24 2.76 0.08 0.00 0.00 -1.26 -1.62 105.19 108.39 1dqa n GLY 640 Ca 0.23 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1dqa n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dqa n ARG 641 N 13.31 0.74 -3.18 1.61 1.85 -1.26 -4.42 116.66 125.31 1dqa n ARG 641 Ca 0.00 -0.16 -0.34 0.00 -1.00 0.00 0.00 57.85 56.35 1dqa n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 1dqa n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1dqa s ASN 642 N -2.37 6.86 -0.05 2.89 -0.87 -0.64 -1.67 114.94 119.08 1dqa s ASN 642 Ca 0.33 1.27 0.01 0.00 -1.57 0.00 0.00 52.86 52.90 1dqa s ASN 642 Cb 0.21 -2.36 0.02 0.00 -0.02 0.00 0.00 41.25 39.09 1dqa s ASN 642 CO 0.44 -0.08 -0.06 -0.22 -2.57 0.00 0.00 177.10 174.61 1dqa s LEU 643 N -2.53 1.36 -0.19 0.60 2.96 -0.03 -2.03 118.68 118.81 1dqa s LEU 643 Ca 0.48 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1dqa s LEU 643 Cb -0.13 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 1dqa s LEU 643 CO 0.19 -0.04 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.84 1dqa s TYR 644 N 0.95 2.99 -0.23 5.38 1.51 0.15 -1.17 117.35 126.94 1dqa s TYR 644 Ca -0.10 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1dqa s TYR 644 Cb -0.14 -2.05 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1dqa s TYR 644 CO 0.00 -0.29 -0.14 0.42 -1.11 0.00 0.00 175.55 174.44 1dqa s ILE 645 N 0.96 2.22 -0.50 2.71 1.01 -0.99 -0.96 121.20 125.66 1dqa s ILE 645 Ca 0.00 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 1dqa s ILE 645 Cb -0.15 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.25 1dqa s ILE 645 CO 0.01 0.24 0.59 -0.60 0.00 0.00 0.00 174.94 175.17 1dqa s ARG 646 N 1.21 3.10 0.04 2.79 3.52 0.10 -3.26 118.95 126.45 1dqa s ARG 646 Ca -0.02 -0.95 -0.25 0.00 -0.13 0.00 0.00 55.73 54.38 1dqa s ARG 646 Cb -0.17 -4.10 -0.05 0.00 -1.56 0.00 0.00 34.95 29.07 1dqa s ARG 646 CO -0.08 -1.18 0.77 -0.06 -0.81 0.00 0.00 175.30 173.94 1dqa s PHE 647 N 2.47 3.72 -0.09 5.12 0.40 -0.09 -1.50 117.98 128.02 1dqa s PHE 647 Ca 0.13 1.47 0.02 0.00 -0.60 0.00 0.00 56.93 57.96 1dqa s PHE 647 Cb -0.20 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.51 1dqa s PHE 647 CO 0.11 0.25 -0.13 -1.14 0.70 0.00 0.00 175.22 175.01 1dqa s GLN 648 N 0.05 1.88 0.01 0.44 0.74 -0.39 -2.16 119.66 120.24 1dqa s GLN 648 Ca 0.39 -0.45 -0.12 0.00 0.05 0.00 0.00 55.36 55.23 1dqa s GLN 648 Cb -0.20 -1.62 0.01 0.00 1.10 0.00 0.00 33.01 32.30 1dqa s GLN 648 CO 0.23 -0.05 0.25 0.45 -0.55 0.00 0.00 175.29 175.62 1dqa s SER 649 N 0.94 -0.09 0.80 6.67 0.15 -0.55 -0.17 113.70 121.45 1dqa s SER 649 Ca -0.09 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.35 1dqa s SER 649 Cb -0.15 0.29 0.07 0.00 -1.71 0.00 0.00 66.02 64.52 1dqa s SER 649 CO 0.00 -0.47 1.09 -0.13 1.20 0.00 0.00 173.24 174.93 1dqa s ARG 650 N -1.72 2.09 -0.06 5.44 1.81 -0.82 -1.25 118.95 124.43 1dqa s ARG 650 Ca -0.11 0.82 0.14 0.00 -1.72 0.00 0.00 55.73 54.85 1dqa s ARG 650 Cb -0.04 -1.90 0.26 0.00 -0.45 0.00 0.00 34.95 32.81 1dqa s ARG 650 CO 0.01 -1.67 1.14 -1.13 -0.68 0.00 0.00 175.30 172.97 1dqa n SER 651 N -3.49 -0.03 0.00 0.23 3.41 -1.26 -2.90 113.62 109.58 1dqa n SER 651 Ca 0.07 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1dqa n SER 651 Cb 0.55 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1dqa n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqa n GLY 652 N -0.05 2.95 0.61 5.00 0.00 -1.26 -1.87 105.19 110.58 1dqa n GLY 652 Ca -0.10 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1dqa n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dqa n ASP 653 N 1.69 1.82 -4.89 1.61 8.00 -1.26 -3.90 116.55 119.62 1dqa n ASP 653 Ca 0.00 -1.81 -0.29 0.00 0.71 0.00 0.00 54.79 53.40 1dqa n ASP 653 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 1dqa n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dqa s ALA 654 N -1.69 3.52 0.34 2.24 0.00 -0.78 0.06 121.76 125.45 1dqa s ALA 654 Ca 0.30 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1dqa s ALA 654 Cb 0.16 -2.44 0.62 0.00 0.00 0.00 0.00 23.12 21.46 1dqa s ALA 654 CO 0.23 0.14 1.91 1.98 0.00 0.00 0.00 175.76 180.03 1dqa h MET 655 N 1.49 0.61 0.00 0.00 4.05 -1.75 -3.44 114.93 115.90 1dqa h MET 655 Ca -0.47 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1dqa h MET 655 Cb 1.19 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1dqa h MET 655 CO 0.65 0.55 0.00 0.41 0.23 0.00 0.00 176.91 178.75 1dqa n GLY 656 N -1.04 0.91 0.17 1.39 0.00 -1.26 -4.74 105.19 100.62 1dqa n GLY 656 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1dqa n GLY 656 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1dqa h MET 657 N 3.76 0.13 -0.19 1.61 4.05 -1.94 0.37 114.93 122.72 1dqa h MET 657 Ca 0.00 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1dqa h MET 657 Cb 0.00 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1dqa h MET 657 CO 0.00 0.08 0.01 -0.91 0.23 0.00 0.00 176.91 176.32 1dqa h ASN 658 N 0.13 0.32 -0.26 1.39 2.35 -1.99 -0.80 115.58 116.72 1dqa h ASN 658 Ca 0.20 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1dqa h ASN 658 Cb 0.28 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 1dqa h ASN 658 CO -0.32 0.54 -0.03 -0.03 -1.65 0.00 0.00 177.43 175.94 1dqa h MET 659 N 0.09 0.04 -0.59 0.81 4.05 -1.88 -0.64 114.93 116.81 1dqa h MET 659 Ca 0.05 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1dqa h MET 659 Cb 0.37 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1dqa h MET 659 CO 0.01 0.02 -0.03 0.82 0.23 0.00 0.00 176.91 177.97 1dqa h ILE 660 N 0.04 1.27 -0.76 1.77 1.08 -0.25 -1.82 117.51 118.83 1dqa h ILE 660 Ca 0.12 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.38 1dqa h ILE 660 Cb 0.18 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 1dqa h ILE 660 CO -0.24 0.43 0.34 0.28 -0.69 0.00 0.00 178.15 178.26 1dqa h SER 661 N 0.95 1.03 -0.32 1.72 0.02 -0.81 0.58 113.55 116.71 1dqa h SER 661 Ca 0.16 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1dqa h SER 661 Cb 0.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1dqa h SER 661 CO 0.04 0.90 0.16 0.50 -1.14 0.00 0.00 176.83 177.28 1dqa h LYS 662 N 1.09 0.46 -0.47 3.45 3.64 -0.99 -1.07 116.57 122.69 1dqa h LYS 662 Ca 0.26 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1dqa h LYS 662 Cb 0.17 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1dqa h LYS 662 CO -0.03 0.42 -0.03 0.78 -2.27 0.00 0.00 179.45 178.33 1dqa h GLY 663 N 0.39 0.85 0.95 5.01 0.00 -1.06 -2.70 103.07 106.51 1dqa h GLY 663 Ca 0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1dqa h GLY 663 CO -0.01 0.54 0.11 -0.84 0.00 0.00 0.00 176.54 176.33 1dqa h THR 664 N 0.73 1.23 -0.92 4.70 2.02 -0.61 -1.78 112.91 118.28 1dqa h THR 664 Ca 0.14 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1dqa h THR 664 Cb 0.48 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1dqa h THR 664 CO 0.02 0.28 0.60 -0.08 0.37 0.00 0.00 175.52 176.72 1dqa h GLU 665 N 0.56 1.17 -0.38 6.66 4.81 -1.03 -0.16 114.58 126.21 1dqa h GLU 665 Ca 0.14 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1dqa h GLU 665 Cb 0.32 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1dqa h GLU 665 CO 0.00 0.77 -0.07 0.87 -0.73 0.00 0.00 179.01 179.86 1dqa h LYS 666 N 1.20 0.71 -0.60 1.92 1.79 -1.30 -2.40 116.57 117.89 1dqa h LYS 666 Ca 0.35 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1dqa h LYS 666 Cb -0.07 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 1dqa h LYS 666 CO -0.10 0.85 0.17 0.00 -1.08 0.00 0.00 179.45 179.29 1dqa h ALA 667 N 0.84 1.17 -0.59 3.86 0.00 -0.89 -2.21 119.26 121.44 1dqa h ALA 667 Ca 0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1dqa h ALA 667 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dqa h ALA 667 CO 0.03 0.57 -0.02 -0.07 0.00 0.00 0.00 179.25 179.77 1dqa h LEU 668 N 0.89 1.03 -0.96 0.00 3.38 -0.91 0.28 115.31 119.02 1dqa h LEU 668 Ca 0.20 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1dqa h LEU 668 Cb 0.28 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1dqa h LEU 668 CO -0.01 1.09 0.62 0.28 0.09 0.00 0.00 178.44 180.51 1dqa h SER 669 N 0.96 1.12 -0.30 -0.43 0.02 -1.09 0.13 113.55 113.96 1dqa h SER 669 Ca 0.17 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1dqa h SER 669 Cb 0.58 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1dqa h SER 669 CO 0.03 0.83 -0.02 0.50 -1.14 0.00 0.00 176.83 177.03 1dqa h LYS 670 N 1.31 0.54 -0.90 3.45 1.63 -1.07 -2.89 116.57 118.65 1dqa h LYS 670 Ca 0.35 -0.18 0.08 0.00 -0.85 0.00 0.00 60.65 60.04 1dqa h LYS 670 Cb -0.12 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.40 1dqa h LYS 670 CO -0.07 0.70 0.55 1.25 -3.45 0.00 0.00 179.45 178.43 1dqa h LEU 671 N 0.32 0.86 -2.07 5.20 5.85 -0.35 -1.10 115.31 124.02 1dqa h LEU 671 Ca 0.08 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1dqa h LEU 671 Cb 0.47 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1dqa h LEU 671 CO 0.02 0.53 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.90 1dqa h HIS 672 N 0.98 0.00 -0.27 1.25 2.76 -0.80 -0.74 115.15 118.33 1dqa h HIS 672 Ca 0.40 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.50 1dqa h HIS 672 Cb 0.24 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1dqa h HIS 672 CO -0.03 0.00 -0.14 0.93 -1.30 0.00 0.00 177.93 177.40 1dqa h GLU 673 N 0.00 0.46 0.07 5.26 5.08 -1.00 -1.91 114.58 122.55 1dqa h GLU 673 Ca -0.00 -0.13 -0.27 0.00 -1.00 0.00 0.00 59.36 57.96 1dqa h GLU 673 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1dqa h GLU 673 CO 0.00 0.60 -1.35 1.88 -1.00 0.00 0.00 179.01 179.14 1dqa h TYR 674 N 0.43 0.27 -2.73 4.33 -1.99 -1.21 -3.40 116.97 112.67 1dqa h TYR 674 Ca 0.08 -0.20 -0.61 0.00 2.00 0.00 0.00 58.73 60.00 1dqa h TYR 674 Cb 0.50 -0.01 -0.41 0.00 2.00 0.00 0.00 36.73 38.81 1dqa h TYR 674 CO 0.02 1.20 -0.72 1.19 -0.00 0.00 0.00 178.16 179.85 1dqa n PHE 675 N -3.39 1.86 0.31 4.88 3.01 -0.41 -4.96 117.46 118.76 1dqa n PHE 675 Ca -0.10 -3.96 0.19 0.00 1.01 0.00 0.00 57.45 54.59 1dqa n PHE 675 Cb 1.01 -0.34 1.04 0.00 -0.01 0.00 0.00 39.48 41.19 1dqa n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dqa h PRO 676 N 5.27 0.00 -0.00 -1.08 0.13 -1.58 -0.97 132.00 133.76 1dqa h PRO 676 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1dqa h PRO 676 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1dqa h PRO 676 CO 0.61 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.76 1dqa n GLU 677 N -3.43 0.66 -2.39 0.86 1.02 -1.26 -4.83 120.64 111.27 1dqa n GLU 677 Ca -0.02 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 1dqa n GLU 677 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1dqa n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1dqa s MET 678 N -2.38 4.39 -0.22 3.49 1.75 -0.37 -4.48 119.30 121.48 1dqa s MET 678 Ca 0.34 1.79 -0.10 0.00 -1.25 0.00 0.00 55.69 56.48 1dqa s MET 678 Cb 0.21 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 34.43 1dqa s MET 678 CO 0.43 -0.34 0.13 -1.14 -0.65 0.00 0.00 175.02 173.46 1dqa s GLN 679 N 1.41 4.04 -0.50 4.11 0.74 0.60 -4.95 119.66 125.11 1dqa s GLN 679 Ca 0.59 -0.29 -0.21 0.00 0.05 0.00 0.00 55.36 55.50 1dqa s GLN 679 Cb -0.29 -3.44 0.04 0.00 1.10 0.00 0.00 33.01 30.42 1dqa s GLN 679 CO 0.28 0.12 0.74 0.42 -0.55 0.00 0.00 175.29 176.30 1dqa s ILE 680 N 0.86 4.69 -0.06 -2.34 1.01 -1.26 -0.64 121.20 123.46 1dqa s ILE 680 Ca 0.07 -0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 1dqa s ILE 680 Cb -0.13 -4.36 -0.26 0.00 0.01 0.00 0.00 42.46 37.72 1dqa s ILE 680 CO 0.03 -0.86 0.94 -0.07 0.00 0.00 0.00 174.94 174.98 1dqa h LEU 681 N 10.14 0.28 -7.07 2.97 3.38 -1.72 -3.48 115.31 119.81 1dqa h LEU 681 Ca -0.26 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 56.78 1dqa h LEU 681 Cb 1.09 -0.09 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1dqa h LEU 681 CO 0.99 1.12 0.02 0.00 0.09 0.00 0.00 178.44 180.67 1dqa s ALA 682 N -2.74 -1.61 0.47 1.53 0.00 -1.10 -5.03 121.76 113.28 1dqa s ALA 682 Ca -0.16 1.88 0.22 0.00 0.00 0.00 0.00 51.96 53.91 1dqa s ALA 682 Cb 0.00 -1.10 1.35 0.00 0.00 0.00 0.00 23.12 23.37 1dqa s ALA 682 CO 0.77 -0.31 2.08 -0.24 0.00 0.00 0.00 175.76 178.06 1dqa h VAL 683 N 4.28 0.79 -3.60 0.00 3.04 -1.92 -2.12 116.25 116.72 1dqa h VAL 683 Ca -0.29 -0.43 -0.65 0.00 -1.01 0.00 0.00 66.70 64.32 1dqa h VAL 683 Cb 1.17 1.25 -0.37 0.00 -2.01 0.00 0.00 31.29 31.34 1dqa h VAL 683 CO 0.11 0.11 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.42 1dqa s SER 684 N -6.53 3.90 -0.26 3.17 0.15 -1.26 -2.88 113.70 109.99 1dqa s SER 684 Ca -0.04 -1.12 0.13 0.00 0.70 0.00 0.00 55.95 55.62 1dqa s SER 684 Cb 0.15 -1.41 0.68 0.00 -1.71 0.00 0.00 66.02 63.72 1dqa s SER 684 CO 0.62 -0.15 1.65 0.61 1.20 0.00 0.00 173.24 177.17 1dqa n GLY 685 N 4.55 3.77 2.41 9.45 0.00 0.11 -4.74 105.19 120.74 1dqa n GLY 685 Ca -0.15 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1dqa n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dqa n ASN 686 N -0.20 -4.53 -1.22 1.61 4.13 -1.24 -4.81 115.26 109.01 1dqa n ASN 686 Ca 0.32 0.22 0.12 0.00 1.68 0.00 0.00 54.58 56.91 1dqa n ASN 686 Cb 1.17 -2.79 0.25 0.00 -1.54 0.00 0.00 39.78 36.86 1dqa n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1dqa n TYR 687 N -2.59 0.63 0.38 3.10 9.36 -1.16 -4.62 117.16 122.25 1dqa n TYR 687 Ca -0.09 -0.32 -0.16 0.00 3.32 0.00 0.00 57.90 60.65 1dqa n TYR 687 Cb 0.37 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.00 1dqa n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dqa s THR 689 N -5.07 3.68 -0.22 0.00 2.01 -1.26 -4.71 115.64 110.07 1dqa s THR 689 Ca -0.16 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1dqa s THR 689 Cb 0.02 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1dqa s THR 689 CO 0.49 0.57 0.01 -0.62 -0.69 0.00 0.00 174.62 174.38 1dqa s ASP 690 N -0.90 4.80 -1.59 3.53 2.15 -1.26 -4.68 116.67 118.71 1dqa s ASP 690 Ca 0.13 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1dqa s ASP 690 Cb -0.11 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1dqa s ASP 690 CO 0.02 0.01 0.00 0.29 -0.17 0.00 0.00 175.17 175.33 1dqa n LYS 691 N 4.58 -1.39 -3.90 4.34 5.02 -1.26 -5.00 118.16 120.54 1dqa n LYS 691 Ca -0.17 0.91 -0.11 0.00 -2.02 0.00 0.00 58.31 56.92 1dqa n LYS 691 Cb 0.51 -5.36 -0.12 0.00 -0.02 0.00 0.00 35.03 30.05 1dqa n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dqa s LYS 692 N -4.64 0.26 0.32 1.97 3.01 -1.26 -4.95 119.74 114.44 1dqa s LYS 692 Ca 0.00 -0.28 -0.29 0.00 -1.01 0.00 0.00 55.97 54.39 1dqa s LYS 692 Cb 0.00 0.10 -0.10 0.00 -1.01 0.00 0.00 37.83 36.82 1dqa s LYS 692 CO 0.00 -0.05 1.37 -1.25 0.51 0.00 0.00 175.35 175.94 1dqa s PRO 693 N -0.84 4.29 -0.28 -1.68 0.04 -1.26 -4.74 135.00 130.53 1dqa s PRO 693 Ca -0.09 2.30 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 1dqa s PRO 693 Cb -0.06 -3.06 0.09 0.00 0.04 0.00 0.00 34.50 31.51 1dqa s PRO 693 CO 0.00 -0.31 0.74 0.00 0.04 0.00 0.00 177.00 177.47 1dqa s ALA 694 N -0.81 -1.91 0.45 8.56 0.00 -1.26 -5.03 121.76 121.76 1dqa s ALA 694 Ca 0.52 2.30 0.10 0.00 0.00 0.00 0.00 51.96 54.89 1dqa s ALA 694 Cb -0.41 -1.41 1.00 0.00 0.00 0.00 0.00 23.12 22.30 1dqa s ALA 694 CO 0.52 -0.36 2.09 0.00 0.00 0.00 0.00 175.76 178.00 1dqa h ALA 695 N 6.36 1.82 -0.80 0.00 0.00 -1.94 -2.55 119.26 122.14 1dqa h ALA 695 Ca -0.29 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1dqa h ALA 695 Cb 1.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1dqa h ALA 695 CO 0.14 0.16 0.53 0.97 0.00 0.00 0.00 179.25 181.05 1dqa h ILE 696 N 0.37 1.00 -0.36 0.00 2.10 -1.98 -0.16 117.51 118.48 1dqa h ILE 696 Ca 0.11 -0.28 -0.15 0.00 1.08 0.00 0.00 64.86 65.62 1dqa h ILE 696 Cb -0.02 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 35.82 1dqa h ILE 696 CO -0.02 0.15 -0.38 0.78 -1.08 0.00 0.00 178.15 177.60 1dqa h ASN 697 N 0.81 0.91 -0.40 2.19 2.35 -1.73 0.23 115.58 119.94 1dqa h ASN 697 Ca 0.36 -0.41 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1dqa h ASN 697 Cb 0.34 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1dqa h ASN 697 CO -0.13 1.18 0.05 -0.25 -1.65 0.00 0.00 177.43 176.62 1dqa h TRP 698 N 0.70 0.71 0.18 1.19 2.91 -1.37 0.37 115.95 120.65 1dqa h TRP 698 Ca 0.06 -0.10 -0.31 0.00 1.13 0.00 0.00 58.89 59.67 1dqa h TRP 698 Cb 0.95 -0.19 0.01 0.00 -0.51 0.00 0.00 29.16 29.42 1dqa h TRP 698 CO 0.06 0.71 -1.49 0.82 -1.03 0.00 0.00 178.44 177.51 1dqa h ILE 699 N 0.51 1.10 0.00 2.65 2.04 -1.03 -3.38 117.51 119.40 1dqa h ILE 699 Ca 0.12 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1dqa h ILE 699 Cb 0.39 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1dqa h ILE 699 CO 0.01 0.79 -1.23 -0.62 0.00 0.00 0.00 178.15 177.10 1dqa n GLU 700 N -3.78 0.27 0.00 2.37 1.02 0.06 -5.10 120.64 115.49 1dqa n GLU 700 Ca -0.22 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1dqa n GLU 700 Cb 1.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1dqa n GLU 700 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dqa n GLY 701 N 1.39 -1.69 3.47 0.62 0.00 0.12 -5.02 105.19 104.09 1dqa n GLY 701 Ca 0.01 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1dqa n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dqa s ARG 702 N -2.96 0.58 7.12 1.61 3.52 -1.09 -4.69 118.95 123.04 1dqa s ARG 702 Ca 0.00 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 1dqa s ARG 702 Cb 0.00 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1dqa s ARG 702 CO 0.00 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1dqa n GLY 703 N 4.06 2.04 3.70 8.12 0.00 0.20 -3.21 105.19 120.10 1dqa n GLY 703 Ca -0.20 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1dqa n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dqa s LYS 704 N 0.00 4.16 -0.25 1.61 1.02 0.70 -0.60 119.74 126.38 1dqa s LYS 704 Ca 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 1dqa s LYS 704 Cb 0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1dqa s LYS 704 CO 0.00 0.19 0.13 -1.12 -0.92 0.00 0.00 175.35 173.64 1dqa s SER 705 N 0.64 5.73 0.09 2.83 0.01 -0.59 -1.06 113.70 121.35 1dqa s SER 705 Ca 0.09 -0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.38 1dqa s SER 705 Cb -0.12 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 1dqa s SER 705 CO 0.01 0.00 -0.15 -0.69 0.41 0.00 0.00 173.24 172.82 1dqa s VAL 706 N 1.42 1.25 0.01 3.43 1.01 0.44 0.11 120.40 128.06 1dqa s VAL 706 Ca 0.06 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1dqa s VAL 706 Cb -0.15 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1dqa s VAL 706 CO 0.06 -0.23 -0.06 0.54 0.00 0.00 0.00 175.10 175.42 1dqa s VAL 707 N -1.41 0.42 0.07 2.92 0.11 -0.68 -0.63 120.40 121.20 1dqa s VAL 707 Ca 0.01 -0.40 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1dqa s VAL 707 Cb -0.09 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1dqa s VAL 707 CO 0.03 0.00 0.09 0.00 -3.33 0.00 0.00 175.10 171.89 1dqa s GLU 709 N -3.76 1.26 0.20 0.00 -1.05 -0.42 -1.51 118.70 113.43 1dqa s GLU 709 Ca 0.05 -0.44 -0.22 0.00 -0.15 0.00 0.00 54.97 54.20 1dqa s GLU 709 Cb 0.06 0.58 0.05 0.00 -0.44 0.00 0.00 34.13 34.38 1dqa s GLU 709 CO -0.10 -0.54 0.68 0.00 0.95 0.00 0.00 175.26 176.24 1dqa s ALA 710 N -3.62 -1.45 -0.13 -0.84 0.00 -0.69 -1.39 121.76 113.64 1dqa s ALA 710 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1dqa s ALA 710 Cb -0.01 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1dqa s ALA 710 CO -0.12 -0.89 -0.17 0.08 0.00 0.00 0.00 175.76 174.66 1dqa s VAL 711 N -3.78 1.71 -0.29 0.00 1.01 -1.26 -1.47 120.40 116.32 1dqa s VAL 711 Ca 0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1dqa s VAL 711 Cb -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1dqa s VAL 711 CO -0.04 0.48 0.15 -0.63 0.00 0.00 0.00 175.10 175.06 1dqa s ILE 712 N 1.07 4.78 0.48 2.22 -1.09 0.12 -4.61 121.20 124.17 1dqa s ILE 712 Ca -0.03 -0.17 -0.23 0.00 -2.23 0.00 0.00 60.65 57.99 1dqa s ILE 712 Cb -0.14 -3.34 -0.08 0.00 -1.58 0.00 0.00 42.46 37.32 1dqa s ILE 712 CO -0.05 0.19 1.18 -2.65 -1.23 0.00 0.00 174.94 172.38 1dqa n PRO 713 N 5.00 1.56 -0.29 2.79 -0.02 -1.26 -0.76 135.00 142.02 1dqa n PRO 713 Ca -0.14 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1dqa n PRO 713 Cb 0.51 -2.31 0.24 0.00 -0.02 0.00 0.00 33.50 31.91 1dqa n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dqa h ALA 714 N 1.52 1.25 -0.80 3.55 0.00 -1.92 -0.59 119.26 122.26 1dqa h ALA 714 Ca -0.48 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1dqa h ALA 714 Cb 1.32 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1dqa h ALA 714 CO 0.57 -0.22 0.53 -0.22 0.00 0.00 0.00 179.25 179.91 1dqa h LYS 715 N 0.48 1.02 -0.24 0.00 3.64 -1.90 -1.79 116.57 117.79 1dqa h LYS 715 Ca 0.48 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.64 1dqa h LYS 715 Cb 0.78 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1dqa h LYS 715 CO -0.43 0.68 -0.46 0.28 -2.27 0.00 0.00 179.45 177.24 1dqa h VAL 716 N 1.06 1.30 -1.01 2.00 2.07 -1.49 -0.86 116.25 119.31 1dqa h VAL 716 Ca 0.30 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1dqa h VAL 716 Cb -0.08 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1dqa h VAL 716 CO -0.07 0.53 0.67 0.58 0.02 0.00 0.00 177.57 179.29 1dqa h VAL 717 N 0.46 1.24 0.13 2.57 2.07 -1.04 0.14 116.25 121.81 1dqa h VAL 717 Ca 0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1dqa h VAL 717 Cb 1.07 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1dqa h VAL 717 CO 0.10 0.25 -0.06 0.03 0.02 0.00 0.00 177.57 177.91 1dqa h ARG 718 N 1.34 -0.17 0.03 1.57 3.08 -1.25 -2.16 114.38 116.83 1dqa h ARG 718 Ca 0.38 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 60.24 1dqa h ARG 718 Cb -0.12 0.04 0.02 0.00 0.08 0.00 0.00 29.97 29.99 1dqa h ARG 718 CO -0.09 0.29 -0.80 0.93 -1.07 0.00 0.00 179.97 179.22 1dqa h GLU 719 N -0.73 0.49 0.04 0.04 5.08 -1.12 -2.36 114.58 116.02 1dqa h GLU 719 Ca -0.02 -0.57 -0.16 0.00 -1.00 0.00 0.00 59.36 57.61 1dqa h GLU 719 Cb 0.53 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1dqa h GLU 719 CO 0.03 1.20 -0.86 0.28 -1.00 0.00 0.00 179.01 178.66 1dqa h VAL 720 N 0.02 1.27 -0.00 3.13 2.07 -1.15 -3.38 116.25 118.20 1dqa h VAL 720 Ca -0.11 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1dqa h VAL 720 Cb 1.51 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 1dqa h VAL 720 CO 0.16 0.54 -0.29 0.18 0.02 0.00 0.00 177.57 178.17 1dqa n LEU 721 N -4.34 0.79 -3.20 2.57 4.77 -1.01 -4.97 117.00 111.62 1dqa n LEU 721 Ca -0.22 -0.14 -0.23 0.00 -0.03 0.00 0.00 56.01 55.39 1dqa n LEU 721 Cb 0.68 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1dqa n LEU 721 CO 0.31 0.16 0.04 0.29 -1.33 0.00 0.00 177.39 176.86 1dqa n LYS 722 N -0.93 -5.23 -0.01 3.23 4.76 -0.85 -4.64 118.16 114.49 1dqa n LYS 722 Ca 0.11 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 1dqa n LYS 722 Cb 0.34 -5.71 0.00 0.00 -1.84 0.00 0.00 35.03 27.82 1dqa n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1dqa n THR 723 N -4.53 0.00 -4.25 -0.18 5.66 -1.05 -4.75 114.28 105.17 1dqa n THR 723 Ca -0.07 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.76 1dqa n THR 723 Cb 0.60 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.27 1dqa n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dqa s THR 724 N -2.45 1.28 0.23 1.09 -4.23 -1.26 -3.10 115.64 107.20 1dqa s THR 724 Ca 0.00 -1.91 -0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1dqa s THR 724 Cb 0.00 -1.71 0.18 0.00 1.34 0.00 0.00 72.50 72.31 1dqa s THR 724 CO 0.00 -0.58 1.80 0.74 -0.54 0.00 0.00 174.62 176.03 1dqa h THR 725 N 3.10 0.90 -0.31 3.99 2.02 -1.90 -1.63 112.91 119.08 1dqa h THR 725 Ca -0.38 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1dqa h THR 725 Cb 1.20 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1dqa h THR 725 CO 0.57 0.13 0.20 -0.08 0.37 0.00 0.00 175.52 176.71 1dqa h GLU 726 N 0.69 0.40 -0.63 6.66 4.81 -1.95 -1.11 114.58 123.45 1dqa h GLU 726 Ca 0.35 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1dqa h GLU 726 Cb 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1dqa h GLU 726 CO -0.24 0.27 0.17 0.00 -0.73 0.00 0.00 179.01 178.48 1dqa h ALA 727 N 1.12 1.11 -0.17 2.92 0.00 -1.88 -1.66 119.26 120.70 1dqa h ALA 727 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dqa h ALA 727 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1dqa h ALA 727 CO -0.03 0.60 0.11 0.52 0.00 0.00 0.00 179.25 180.45 1dqa h MET 728 N 0.94 0.23 -0.34 0.00 2.86 -0.91 -1.51 114.93 116.19 1dqa h MET 728 Ca 0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1dqa h MET 728 Cb 0.31 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1dqa h MET 728 CO -0.00 0.17 0.19 0.82 1.06 0.00 0.00 176.91 179.14 1dqa h ILE 729 N 0.22 1.13 -0.58 -1.22 2.04 -0.92 -0.06 117.51 118.12 1dqa h ILE 729 Ca 0.06 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1dqa h ILE 729 Cb -0.01 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1dqa h ILE 729 CO -0.01 0.14 0.38 -0.33 0.00 0.00 0.00 178.15 178.32 1dqa h GLU 730 N 0.43 0.75 -0.43 2.37 4.39 -1.18 -0.55 114.58 120.36 1dqa h GLU 730 Ca 0.12 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1dqa h GLU 730 Cb 0.05 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1dqa h GLU 730 CO -0.02 0.50 -0.10 0.28 -1.16 0.00 0.00 179.01 178.51 1dqa h VAL 731 N 0.77 1.27 -0.45 3.13 2.07 -1.09 -2.30 116.25 119.66 1dqa h VAL 731 Ca 0.21 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1dqa h VAL 731 Cb -0.08 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1dqa h VAL 731 CO -0.05 0.41 0.28 -1.13 0.02 0.00 0.00 177.57 177.10 1dqa h ASN 732 N 0.65 0.48 -0.33 0.57 -1.24 -0.44 0.27 115.58 115.53 1dqa h ASN 732 Ca 0.11 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.05 1dqa h ASN 732 Cb 0.63 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1dqa h ASN 732 CO 0.04 0.34 -0.05 0.40 -1.29 0.00 0.00 177.43 176.88 1dqa h ILE 733 N 0.58 1.27 0.00 2.57 2.04 -1.13 -0.76 117.51 122.08 1dqa h ILE 733 Ca 0.17 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1dqa h ILE 733 Cb -0.03 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1dqa h ILE 733 CO -0.06 0.35 0.00 0.78 0.00 0.00 0.00 178.15 179.22 1dqa h ASN 734 N 0.41 0.00 0.00 1.72 2.35 -1.17 -0.78 115.58 118.10 1dqa h ASN 734 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1dqa h ASN 734 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1dqa h ASN 734 CO 0.03 0.00 -0.54 1.17 -1.65 0.00 0.00 177.43 176.43 1dqa n LYS 735 N -2.31 0.29 0.23 0.81 4.81 0.06 -1.64 118.16 120.41 1dqa n LYS 735 Ca 0.05 0.11 0.10 0.00 -0.87 0.00 0.00 58.31 57.71 1dqa n LYS 735 Cb 0.43 -0.97 0.52 0.00 0.02 0.00 0.00 35.03 35.02 1dqa n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1dqa h ASN 736 N -0.54 0.00 0.00 3.14 2.35 -1.28 -2.12 115.58 117.13 1dqa h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dqa h ASN 736 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1dqa h ASN 736 CO 0.00 0.22 -0.14 0.18 -1.65 0.00 0.00 177.43 176.03 1dqa n LEU 737 N -3.48 0.34 -0.11 1.61 4.77 -1.10 -4.26 117.00 114.77 1dqa n LEU 737 Ca -0.00 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1dqa n LEU 737 Cb 0.39 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1dqa n LEU 737 CO 0.33 -0.48 0.83 0.58 -1.33 0.00 0.00 177.39 177.32 1dqa h VAL 738 N -0.14 1.23 -0.27 4.08 2.07 -1.32 -1.44 116.25 120.46 1dqa h VAL 738 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1dqa h VAL 738 Cb 0.14 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1dqa h VAL 738 CO 0.00 0.26 0.18 1.23 0.02 0.00 0.00 177.57 179.25 1dqa h GLY 739 N 0.36 0.38 1.69 2.17 0.00 -0.96 0.14 103.07 106.85 1dqa h GLY 739 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1dqa h GLY 739 CO 0.00 0.14 -0.14 1.76 0.00 0.00 0.00 176.54 178.30 1dqa h SER 740 N 0.36 0.36 -0.41 0.19 0.02 -1.35 -1.80 113.55 110.93 1dqa h SER 740 Ca 0.10 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1dqa h SER 740 Cb -0.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1dqa h SER 740 CO -0.02 0.53 -0.01 0.00 -1.14 0.00 0.00 176.83 176.19 1dqa h ALA 741 N 1.51 0.55 -0.83 3.77 0.00 -0.65 -1.50 119.26 122.10 1dqa h ALA 741 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dqa h ALA 741 Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1dqa h ALA 741 CO 0.03 0.35 0.50 0.52 0.00 0.00 0.00 179.25 180.65 1dqa h MET 742 N 0.56 1.13 0.00 0.00 2.86 -0.49 -1.75 114.93 117.23 1dqa h MET 742 Ca 0.11 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1dqa h MET 742 Cb 0.50 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1dqa h MET 742 CO 0.02 0.79 0.00 0.00 1.06 0.00 0.00 176.91 178.78 1dqa n ALA 743 N -2.41 1.90 -2.70 6.32 0.00 -0.72 -4.93 120.51 117.97 1dqa n ALA 743 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1dqa n ALA 743 Cb 0.06 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.20 1dqa n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dqa n GLY 744 N 0.53 0.29 3.81 0.00 0.00 -0.66 -5.03 105.19 104.13 1dqa n GLY 744 Ca 0.04 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 1dqa n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dqa s SER 745 N -3.30 7.06 -0.29 1.61 0.15 -0.62 -5.05 113.70 113.26 1dqa s SER 745 Ca 0.11 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1dqa s SER 745 Cb -0.05 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 61.96 1dqa s SER 745 CO 0.26 0.26 -0.04 -0.63 1.20 0.00 0.00 173.24 174.29 1dqa s ILE 746 N -1.14 2.62 0.00 6.45 -1.09 -1.26 -4.68 121.20 122.11 1dqa s ILE 746 Ca 0.30 -1.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 1dqa s ILE 746 Cb -0.19 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 1dqa s ILE 746 CO 0.19 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1dqa n GLY 747 N 4.53 1.33 2.78 6.18 0.00 -1.26 -4.93 105.19 113.82 1dqa n GLY 747 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1dqa n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 748 N -2.00 5.80 2.65 -0.02 0.00 -1.26 -1.67 105.19 108.69 1dqa n GLY 748 Ca 0.00 -2.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.05 1dqa n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dqa n TYR 749 N -0.35 2.66 -3.92 1.61 4.02 -0.83 -4.82 117.16 115.54 1dqa n TYR 749 Ca 0.48 -2.50 -0.08 0.00 -0.01 0.00 0.00 57.90 55.79 1dqa n TYR 749 Cb 0.31 -1.35 -0.04 0.00 -0.02 0.00 0.00 39.34 38.24 1dqa n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1dqa s ASN 750 N -0.75 -0.17 -0.15 7.72 2.20 -1.23 -1.15 114.94 121.42 1dqa s ASN 750 Ca 0.47 -0.76 -0.14 0.00 -0.94 0.00 0.00 52.86 51.49 1dqa s ASN 750 Cb 0.26 0.63 -0.11 0.00 -2.00 0.00 0.00 41.25 40.03 1dqa s ASN 750 CO -0.20 -1.19 0.18 0.00 -2.94 0.00 0.00 177.10 172.94 1dqa h ALA 751 N 2.17 0.06 -0.14 3.54 0.00 -1.93 -3.46 119.26 119.49 1dqa h ALA 751 Ca -0.24 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 53.92 1dqa h ALA 751 Cb 1.25 0.31 -0.21 0.00 0.00 0.00 0.00 17.79 19.15 1dqa h ALA 751 CO 0.32 0.30 -0.50 -2.39 0.00 0.00 0.00 179.25 176.99 1dqa n HIS 752 N -4.62 -1.39 -0.33 0.00 1.44 -1.26 -4.95 115.22 104.12 1dqa n HIS 752 Ca -0.12 -1.91 0.15 0.00 -2.01 0.00 0.00 57.72 53.83 1dqa n HIS 752 Cb 0.34 1.14 0.38 0.00 0.12 0.00 0.00 29.99 31.97 1dqa n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dqa h ALA 753 N 1.64 1.85 -0.76 1.59 0.00 -1.89 -0.95 119.26 120.75 1dqa h ALA 753 Ca -0.33 0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1dqa h ALA 753 Cb 1.29 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1dqa h ALA 753 CO -0.05 -0.21 0.50 0.00 0.00 0.00 0.00 179.25 179.49 1dqa h ALA 754 N 1.64 1.92 0.02 0.00 0.00 -1.93 -0.26 119.26 120.65 1dqa h ALA 754 Ca 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1dqa h ALA 754 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1dqa h ALA 754 CO -0.33 -0.09 -0.01 -0.91 0.00 0.00 0.00 179.25 177.90 1dqa h ASN 755 N 0.57 -0.03 -0.16 0.00 2.35 -1.57 -0.32 115.58 116.42 1dqa h ASN 755 Ca 0.36 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1dqa h ASN 755 Cb 0.61 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1dqa h ASN 755 CO -0.13 0.17 -0.02 0.40 -1.65 0.00 0.00 177.43 176.21 1dqa h ILE 756 N -0.23 1.27 -0.22 2.81 5.03 -1.44 -2.22 117.51 122.51 1dqa h ILE 756 Ca -0.00 -0.92 0.05 0.00 -0.12 0.00 0.00 64.86 63.87 1dqa h ILE 756 Cb 0.22 1.56 -0.05 0.00 -3.03 0.00 0.00 36.82 35.51 1dqa h ILE 756 CO 0.01 0.27 -0.10 0.58 -0.68 0.00 0.00 178.15 178.23 1dqa h VAL 757 N 0.02 0.67 -0.29 1.67 2.07 -1.06 -1.69 116.25 117.64 1dqa h VAL 757 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1dqa h VAL 757 Cb 0.42 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1dqa h VAL 757 CO 0.01 0.00 0.17 0.74 0.02 0.00 0.00 177.57 178.51 1dqa h THR 758 N -0.07 1.04 -0.45 2.57 2.02 -1.05 0.65 112.91 117.61 1dqa h THR 758 Ca 0.12 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1dqa h THR 758 Cb 0.25 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1dqa h THR 758 CO -0.27 0.06 0.17 0.00 0.37 0.00 0.00 175.52 175.86 1dqa h ALA 759 N 1.13 0.58 -0.46 6.16 0.00 -1.21 -0.91 119.26 124.54 1dqa h ALA 759 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1dqa h ALA 759 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1dqa h ALA 759 CO -0.05 0.19 -0.12 0.82 0.00 0.00 0.00 179.25 180.09 1dqa h ILE 760 N 0.58 1.27 -0.31 0.00 2.04 -1.17 -1.11 117.51 118.80 1dqa h ILE 760 Ca 0.15 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1dqa h ILE 760 Cb 0.20 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1dqa h ILE 760 CO -0.01 0.43 0.15 1.88 0.00 0.00 0.00 178.15 180.60 1dqa h TYR 761 N 0.74 0.28 -0.49 1.37 -1.99 -0.54 0.07 116.97 116.42 1dqa h TYR 761 Ca 0.12 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 1dqa h TYR 761 Cb 0.67 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1dqa h TYR 761 CO 0.05 0.15 0.00 0.82 -0.00 0.00 0.00 178.16 179.19 1dqa h ILE 762 N 0.32 1.24 -0.20 -2.88 2.04 -1.17 -0.03 117.51 116.82 1dqa h ILE 762 Ca 0.13 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 1dqa h ILE 762 Cb 0.05 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1dqa h ILE 762 CO -0.09 0.36 -0.45 0.00 0.00 0.00 0.00 178.15 177.97 1dqa h ALA 763 N 1.24 0.85 -0.54 1.87 0.00 -0.85 -3.29 119.26 118.54 1dqa h ALA 763 Ca 0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1dqa h ALA 763 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1dqa h ALA 763 CO 0.02 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.94 1dqa n GLY 765 N 0.39 0.62 3.95 0.00 0.00 -1.02 -4.59 105.19 104.54 1dqa n GLY 765 Ca 0.28 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1dqa n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dqa s GLN 766 N -3.95 0.92 -0.59 1.61 -1.52 -0.06 -2.98 119.66 113.09 1dqa s GLN 766 Ca 0.00 -0.63 -0.20 0.00 -1.95 0.00 0.00 55.36 52.58 1dqa s GLN 766 Cb 0.00 -1.98 0.08 0.00 -0.22 0.00 0.00 33.01 30.89 1dqa s GLN 766 CO 0.00 -2.15 0.76 0.34 -0.25 0.00 0.00 175.29 173.99 1dqa s ASP 767 N -4.85 6.20 0.54 5.90 -1.08 -1.26 -4.75 116.67 117.36 1dqa s ASP 767 Ca 0.72 -1.18 0.22 0.00 -0.52 0.00 0.00 52.55 51.79 1dqa s ASP 767 Cb -0.04 -2.33 1.45 0.00 -1.46 0.00 0.00 42.92 40.53 1dqa s ASP 767 CO 0.51 -1.15 2.12 0.00 0.52 0.00 0.00 175.17 177.16 1dqa h ALA 768 N 9.24 2.02 0.00 3.66 0.00 -1.94 -0.15 119.26 132.09 1dqa h ALA 768 Ca -0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1dqa h ALA 768 Cb 1.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dqa h ALA 768 CO 1.09 -0.21 -0.01 0.00 0.00 0.00 0.00 179.25 180.12 1dqa h ALA 769 N 1.90 1.07 0.00 0.00 0.00 -2.01 -1.12 119.26 119.10 1dqa h ALA 769 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dqa h ALA 769 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dqa h ALA 769 CO -0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.30 1dqa n GLN 770 N -3.20 0.85 0.18 0.00 6.02 -0.07 -3.08 117.38 118.09 1dqa n GLN 770 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 1dqa n GLN 770 Cb 0.14 -1.47 0.66 0.00 1.02 0.00 0.00 30.24 30.60 1dqa n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1dqa h ASN 771 N 0.00 0.00 -0.40 1.08 -1.24 -1.36 0.66 115.58 114.31 1dqa h ASN 771 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.07 1dqa h ASN 771 Cb 0.00 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 38.96 1dqa h ASN 771 CO 0.00 0.00 -0.48 0.58 -1.29 0.00 0.00 177.43 176.24 1dqa h VAL 772 N 0.00 0.06 0.00 2.57 2.07 -1.78 -2.28 116.25 116.89 1dqa h VAL 772 Ca 0.08 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.33 1dqa h VAL 772 Cb 0.33 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1dqa h VAL 772 CO -0.00 0.00 -2.00 0.61 0.02 0.00 0.00 177.57 176.20 1dqa n GLY 773 N -1.40 -1.04 0.28 2.17 0.00 -1.12 -4.21 105.19 99.86 1dqa n GLY 773 Ca -0.02 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1dqa n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dqa h SER 774 N 0.00 0.00 0.99 1.61 0.02 -0.84 -1.99 113.55 113.33 1dqa h SER 774 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1dqa h SER 774 Cb 1.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.47 1dqa h SER 774 CO 0.04 0.07 0.00 -1.20 -1.14 0.00 0.00 176.83 174.61 1dqa n SER 775 N -3.65 0.24 -4.62 3.07 7.64 -0.86 -4.42 113.62 111.01 1dqa n SER 775 Ca -0.02 0.53 -0.48 0.00 1.01 0.00 0.00 58.87 59.91 1dqa n SER 775 Cb 0.18 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 1dqa n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dqa n ASN 776 N -1.74 2.15 -3.64 6.43 3.02 -0.75 -4.57 115.26 116.17 1dqa n ASN 776 Ca 0.06 1.12 -0.10 0.00 -0.03 0.00 0.00 54.58 55.63 1dqa n ASN 776 Cb 0.32 -1.30 -0.07 0.00 -0.61 0.00 0.00 39.78 38.12 1dqa n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dqa s ILE 778 N 0.29 2.29 -0.23 0.00 2.07 -0.75 -1.96 121.20 122.91 1dqa s ILE 778 Ca 0.02 -0.87 -0.08 0.00 -1.41 0.00 0.00 60.65 58.31 1dqa s ILE 778 Cb -0.05 -1.97 -0.04 0.00 0.13 0.00 0.00 42.46 40.54 1dqa s ILE 778 CO -0.05 0.52 0.09 -0.89 -1.91 0.00 0.00 174.94 172.71 1dqa s THR 779 N 1.18 4.68 0.06 4.00 2.01 -0.30 -1.57 115.64 125.70 1dqa s THR 779 Ca 0.02 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1dqa s THR 779 Cb -0.14 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1dqa s THR 779 CO -0.08 0.37 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.20 1dqa s LEU 780 N 1.18 2.20 0.02 4.42 1.43 0.17 -4.89 118.68 123.21 1dqa s LEU 780 Ca 0.05 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1dqa s LEU 780 Cb -0.14 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 1dqa s LEU 780 CO 0.04 0.22 -0.04 -0.04 0.23 0.00 0.00 176.35 176.75 1dqa s MET 781 N -1.38 0.33 0.21 1.70 -1.94 -1.26 -1.14 119.30 115.82 1dqa s MET 781 Ca 0.11 -0.45 -0.21 0.00 -1.71 0.00 0.00 55.69 53.43 1dqa s MET 781 Cb -0.10 -0.13 0.04 0.00 2.01 0.00 0.00 34.83 36.66 1dqa s MET 781 CO 0.03 0.02 0.63 -1.83 -0.01 0.00 0.00 175.02 173.85 1dqa s GLU 782 N -0.94 1.48 0.41 2.03 -1.05 -0.31 -4.91 118.70 115.42 1dqa s GLU 782 Ca -0.08 -0.73 -0.24 0.00 -0.15 0.00 0.00 54.97 53.77 1dqa s GLU 782 Cb -0.06 0.58 -0.09 0.00 -0.44 0.00 0.00 34.13 34.12 1dqa s GLU 782 CO -0.00 -0.66 1.07 0.00 0.95 0.00 0.00 175.26 176.62 1dqa s ALA 783 N -3.84 3.07 0.23 -0.84 0.00 -1.26 -0.16 121.76 118.97 1dqa s ALA 783 Ca 0.06 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 1dqa s ALA 783 Cb -0.03 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1dqa s ALA 783 CO -0.04 -0.30 0.33 0.45 0.00 0.00 0.00 175.76 176.21 1dqa s SER 784 N -1.52 0.08 0.00 0.00 0.15 0.55 -4.75 113.70 108.21 1dqa s SER 784 Ca 0.59 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1dqa s SER 784 Cb -0.23 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1dqa s SER 784 CO 0.29 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1dqa n GLY 785 N -0.35 -0.33 0.34 9.45 0.00 -1.26 -1.46 105.19 111.58 1dqa n GLY 785 Ca 0.00 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.51 1dqa n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dqa h PRO 786 N 0.00 0.46 -0.19 1.61 0.11 -2.01 0.91 132.00 132.89 1dqa h PRO 786 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1dqa h PRO 786 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1dqa h PRO 786 CO 0.00 0.30 0.00 2.41 -0.21 0.00 0.00 178.00 180.50 1dqa n THR 787 N -4.97 0.27 -3.58 -1.15 -1.04 -1.26 -4.96 114.28 97.59 1dqa n THR 787 Ca 0.27 -0.63 -0.25 0.00 -2.04 0.00 0.00 64.05 61.40 1dqa n THR 787 Cb 0.79 1.19 0.06 0.00 -1.82 0.00 0.00 70.33 70.54 1dqa n THR 787 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1dqa n ASN 788 N 1.23 -5.95 -0.02 8.00 5.03 0.31 -4.89 115.26 118.99 1dqa n ASN 788 Ca 0.15 -0.55 0.07 0.00 0.87 0.00 0.00 54.58 55.12 1dqa n ASN 788 Cb 0.54 -4.71 -0.14 0.00 -1.02 0.00 0.00 39.78 34.45 1dqa n ASN 788 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1dqa n GLU 789 N -4.76 0.62 -2.53 3.52 0.28 -0.97 -4.47 120.64 112.32 1dqa n GLU 789 Ca -0.00 -0.15 -0.29 0.00 -0.16 0.00 0.00 57.16 56.56 1dqa n GLU 789 Cb 0.56 -1.43 -0.01 0.00 1.43 0.00 0.00 31.44 31.99 1dqa n GLU 789 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dqa s ASP 790 N -4.18 6.35 -0.30 -1.84 1.01 -0.53 -4.02 116.67 113.14 1dqa s ASP 790 Ca -0.07 1.12 -0.09 0.00 0.71 0.00 0.00 52.55 54.22 1dqa s ASP 790 Cb 0.11 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1dqa s ASP 790 CO 0.75 -0.59 0.13 -0.22 0.21 0.00 0.00 175.17 175.45 1dqa s LEU 791 N -4.55 4.02 -0.10 1.23 2.96 0.06 -0.33 118.68 121.97 1dqa s LEU 791 Ca 0.51 -0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 53.74 1dqa s LEU 791 Cb -0.10 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1dqa s LEU 791 CO 0.42 -0.18 0.37 -0.47 -1.32 0.00 0.00 176.35 175.17 1dqa s TYR 792 N 1.60 3.56 0.01 5.38 5.04 0.78 0.11 117.35 133.82 1dqa s TYR 792 Ca 0.04 0.79 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 1dqa s TYR 792 Cb -0.17 -2.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.76 1dqa s TYR 792 CO 0.05 0.36 -0.06 -1.50 -1.34 0.00 0.00 175.55 173.06 1dqa s ILE 793 N 0.01 0.48 0.00 3.14 2.07 -0.55 -1.16 121.20 125.20 1dqa s ILE 793 Ca 0.21 -0.57 -0.02 0.00 -1.41 0.00 0.00 60.65 58.87 1dqa s ILE 793 Cb -0.15 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 1dqa s ILE 793 CO 0.08 -0.07 0.02 -0.94 -1.91 0.00 0.00 174.94 172.13 1dqa s SER 794 N -0.70 0.09 -0.05 4.50 1.04 -0.29 -1.70 113.70 116.59 1dqa s SER 794 Ca -0.02 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.22 1dqa s SER 794 Cb -0.05 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1dqa s SER 794 CO 0.00 -0.19 -0.15 0.00 0.98 0.00 0.00 173.24 173.88 1dqa s THR 796 N 0.29 1.62 -0.33 0.00 2.01 -0.61 -1.75 115.64 116.87 1dqa s THR 796 Ca -0.08 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1dqa s THR 796 Cb -0.13 -1.50 0.10 0.00 0.01 0.00 0.00 72.50 70.98 1dqa s THR 796 CO 0.03 0.47 0.04 -0.04 -0.69 0.00 0.00 174.62 174.43 1dqa s MET 797 N 1.33 1.43 0.08 4.92 -1.94 0.20 -1.81 119.30 123.52 1dqa s MET 797 Ca 0.02 -1.71 0.24 0.00 -1.71 0.00 0.00 55.69 52.53 1dqa s MET 797 Cb -0.13 -3.01 0.96 0.00 2.01 0.00 0.00 34.83 34.66 1dqa s MET 797 CO -0.08 -0.91 1.76 -0.35 -0.01 0.00 0.00 175.02 175.42 1dqa n PRO 798 N 4.35 0.09 -3.02 2.03 -0.04 -1.26 -0.42 135.00 136.73 1dqa n PRO 798 Ca 0.02 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1dqa n PRO 798 Cb 0.42 -1.62 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1dqa n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dqa n SER 799 N -1.77 0.96 -4.61 3.54 3.41 -1.23 -2.66 113.62 111.25 1dqa n SER 799 Ca 0.05 -2.92 -0.43 0.00 -0.26 0.00 0.00 58.87 55.31 1dqa n SER 799 Cb 0.31 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1dqa n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dqa s ILE 800 N -2.59 4.46 -0.47 -1.33 1.01 -0.23 -3.28 121.20 118.78 1dqa s ILE 800 Ca 0.36 1.34 -0.17 0.00 0.00 0.00 0.00 60.65 62.19 1dqa s ILE 800 Cb 0.38 -4.43 0.06 0.00 0.01 0.00 0.00 42.46 38.48 1dqa s ILE 800 CO -0.04 -0.65 0.45 -1.61 0.00 0.00 0.00 174.94 173.08 1dqa s GLU 801 N 3.78 3.03 0.14 2.79 2.02 -1.26 -0.21 118.70 128.99 1dqa s GLU 801 Ca 0.43 -1.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.19 1dqa s GLU 801 Cb -0.11 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.04 1dqa s GLU 801 CO 0.21 -1.02 0.30 -1.50 0.02 0.00 0.00 175.26 173.28 1dqa s ILE 802 N 1.96 0.08 0.11 -1.63 2.07 -1.26 -4.85 121.20 117.68 1dqa s ILE 802 Ca 0.08 -1.14 -0.25 0.00 -1.41 0.00 0.00 60.65 57.93 1dqa s ILE 802 Cb -0.21 -1.58 0.08 0.00 0.13 0.00 0.00 42.46 40.87 1dqa s ILE 802 CO 0.09 -0.37 0.76 -0.83 -1.91 0.00 0.00 174.94 172.68 1dqa s GLY 803 N -2.90 -0.46 0.00 1.50 0.00 -1.26 -3.43 107.32 100.77 1dqa s GLY 803 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1dqa s GLY 803 CO -0.05 0.18 0.61 -1.30 0.00 0.00 0.00 173.10 172.53 1dqa n THR 804 N -0.35 0.27 -4.21 0.90 -2.24 0.11 -4.83 114.28 103.93 1dqa n THR 804 Ca -0.11 -0.60 -0.17 0.00 -2.27 0.00 0.00 64.05 60.90 1dqa n THR 804 Cb 0.63 0.92 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 1dqa n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dqa s VAL 805 N -0.27 0.83 0.00 2.28 1.01 -1.20 -1.68 120.40 121.37 1dqa s VAL 805 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1dqa s VAL 805 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1dqa s VAL 805 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1dqa n GLY 806 N 1.81 -1.02 7.00 4.51 0.00 -1.26 -4.36 105.19 111.87 1dqa n GLY 806 Ca -0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1dqa n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 807 N -0.90 2.71 0.09 -0.02 0.00 -1.26 -1.58 105.19 104.24 1dqa n GLY 807 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1dqa n GLY 807 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dqa n GLY 808 N 0.00 -0.95 0.00 -0.02 0.00 -1.18 -2.23 105.19 100.81 1dqa n GLY 808 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1dqa n GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dqa n THR 809 N -1.98 0.12 0.44 2.61 -2.24 -0.62 -2.18 114.28 110.43 1dqa n THR 809 Ca 0.01 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1dqa n THR 809 Cb 0.11 -0.70 0.22 0.00 -2.10 0.00 0.00 70.33 67.86 1dqa n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1dqa h ASN 810 N 0.00 0.00 -3.60 3.42 2.35 -1.59 -3.42 115.58 112.74 1dqa h ASN 810 Ca 0.00 -0.07 -0.51 0.00 -0.55 0.00 0.00 56.30 55.17 1dqa h ASN 810 Cb 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1dqa h ASN 810 CO 0.00 0.03 0.22 -0.76 -1.65 0.00 0.00 177.43 175.27 1dqa s LEU 811 N -4.92 4.55 0.16 1.61 1.43 -0.93 -4.98 118.68 115.60 1dqa s LEU 811 Ca 0.07 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.71 1dqa s LEU 811 Cb 0.11 -3.45 0.07 0.00 0.03 0.00 0.00 46.19 42.94 1dqa s LEU 811 CO 0.68 0.16 1.80 -0.07 0.23 0.00 0.00 176.35 179.14 1dqa h LEU 812 N 4.08 0.38 -0.62 1.79 3.38 -1.89 -1.22 115.31 121.21 1dqa h LEU 812 Ca -0.47 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1dqa h LEU 812 Cb 1.20 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1dqa h LEU 812 CO 0.66 0.27 0.31 -0.65 0.09 0.00 0.00 178.44 179.12 1dqa h PRO 813 N 0.49 0.89 0.00 1.13 0.11 -1.95 -1.36 132.00 131.30 1dqa h PRO 813 Ca 0.18 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1dqa h PRO 813 Cb 0.04 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1dqa h PRO 813 CO -0.10 0.71 -0.28 -0.56 -0.21 0.00 0.00 178.00 177.56 1dqa h GLN 814 N 0.85 0.00 0.00 1.05 -0.00 -1.75 -1.22 115.11 114.04 1dqa h GLN 814 Ca 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.76 1dqa h GLN 814 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.57 1dqa h GLN 814 CO -0.03 0.28 -0.48 1.96 -0.00 0.00 0.00 178.83 180.56 1dqa h GLN 815 N 0.00 0.00 -0.64 0.06 4.20 -0.73 -1.80 115.11 116.20 1dqa h GLN 815 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1dqa h GLN 815 Cb 0.58 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1dqa h GLN 815 CO 0.04 0.48 0.28 0.00 -0.67 0.00 0.00 178.83 178.96 1dqa h ALA 816 N 1.52 0.83 -0.33 3.87 0.00 -0.11 0.35 119.26 125.38 1dqa h ALA 816 Ca -0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1dqa h ALA 816 Cb 0.87 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1dqa h ALA 816 CO 0.06 0.42 -0.33 0.00 0.00 0.00 0.00 179.25 179.40 1dqa h LEU 818 N 0.62 0.92 -1.00 0.00 3.38 -0.93 -2.68 115.31 115.63 1dqa h LEU 818 Ca 0.07 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1dqa h LEU 818 Cb 0.86 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1dqa h LEU 818 CO 0.07 0.96 -0.15 1.56 0.09 0.00 0.00 178.44 180.97 1dqa h GLN 819 N 0.89 0.55 -0.56 1.13 4.20 -0.06 -1.91 115.11 119.36 1dqa h GLN 819 Ca 0.17 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1dqa h GLN 819 Cb 0.47 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1dqa h GLN 819 CO 0.02 0.68 0.37 0.52 -0.67 0.00 0.00 178.83 179.76 1dqa h MET 820 N 0.50 0.60 -0.00 1.46 2.86 -0.95 -1.49 114.93 117.90 1dqa h MET 820 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1dqa h MET 820 Cb 0.55 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1dqa h MET 820 CO 0.04 0.40 -0.31 1.28 1.06 0.00 0.00 176.91 179.37 1dqa n LEU 821 N -4.47 0.35 -0.33 1.22 4.77 -0.95 -4.64 117.00 112.94 1dqa n LEU 821 Ca 0.07 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1dqa n LEU 821 Cb 0.17 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1dqa n LEU 821 CO 0.35 0.08 -0.04 0.61 -1.33 0.00 0.00 177.39 177.06 1dqa n GLY 822 N 1.48 0.35 0.09 -0.72 0.00 -0.56 -4.95 105.19 100.88 1dqa n GLY 822 Ca 0.07 -0.80 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1dqa n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dqa n VAL 823 N -3.69 0.62 -2.06 1.61 0.24 -0.77 -5.02 118.33 109.26 1dqa n VAL 823 Ca -0.04 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.34 61.17 1dqa n VAL 823 Cb 0.41 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.32 1dqa n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1dqa s GLN 824 N -0.77 4.29 2.06 7.34 -0.44 -1.19 -4.77 119.66 126.19 1dqa s GLN 824 Ca 0.05 2.24 0.00 0.00 -2.50 0.00 0.00 55.36 55.15 1dqa s GLN 824 Cb 0.04 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.28 1dqa s GLN 824 CO 0.00 -0.39 0.00 0.41 0.50 0.00 0.00 175.29 175.81 1dqa n GLY 825 N 2.32 -0.90 3.77 2.59 0.00 -0.68 -4.88 105.19 107.43 1dqa n GLY 825 Ca 0.07 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1dqa n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqa s ALA 826 N -1.40 3.16 -0.71 4.61 0.00 -1.26 -4.60 121.76 121.56 1dqa s ALA 826 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1dqa s ALA 826 Cb 0.00 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 19.98 1dqa s ALA 826 CO 0.00 -0.24 0.74 0.00 0.00 0.00 0.00 175.76 176.26 1dqa h LYS 828 N 8.58 0.90 -0.15 0.00 1.57 -1.99 -1.68 116.57 123.78 1dqa h LYS 828 Ca -0.09 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1dqa h LYS 828 Cb 1.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1dqa h LYS 828 CO 0.97 0.59 -0.44 -0.44 -0.57 0.00 0.00 179.45 179.56 1dqa h ASP 829 N 0.93 0.39 -1.81 0.86 3.32 -2.05 -3.40 116.42 114.65 1dqa h ASP 829 Ca 0.30 -0.17 -0.35 0.00 0.02 0.00 0.00 57.03 56.82 1dqa h ASP 829 Cb 0.03 -0.11 -0.29 0.00 0.22 0.00 0.00 39.33 39.18 1dqa h ASP 829 CO -0.08 0.78 -0.69 0.21 -1.72 0.00 0.00 179.24 177.73 1dqa s ASN 830 N -6.87 0.63 -0.15 6.45 2.47 -0.95 -5.12 114.94 111.39 1dqa s ASN 830 Ca -0.06 -1.82 -0.37 0.00 0.42 0.00 0.00 52.86 51.03 1dqa s ASN 830 Cb 0.13 0.69 -0.14 0.00 -1.45 0.00 0.00 41.25 40.47 1dqa s ASN 830 CO 0.80 -0.20 1.75 -2.65 -3.72 0.00 0.00 177.10 173.07 1dqa n PRO 831 N 3.81 1.58 0.00 0.43 -0.02 -0.68 -1.53 135.00 138.60 1dqa n PRO 831 Ca 0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1dqa n PRO 831 Cb 0.48 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1dqa n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dqa n GLY 832 N 4.07 2.75 0.32 -1.23 0.00 -1.25 -4.68 105.19 105.16 1dqa n GLY 832 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1dqa n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dqa h GLU 833 N 1.35 0.92 -0.31 1.61 4.81 -1.60 -0.96 114.58 120.41 1dqa h GLU 833 Ca 0.00 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1dqa h GLU 833 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1dqa h GLU 833 CO 0.00 0.77 -0.04 -0.91 -0.73 0.00 0.00 179.01 178.10 1dqa h ASN 834 N 0.90 0.57 -0.67 1.04 2.35 -1.88 -0.93 115.58 116.96 1dqa h ASN 834 Ca 0.21 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1dqa h ASN 834 Cb 0.22 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1dqa h ASN 834 CO -0.01 0.78 0.30 0.00 -1.65 0.00 0.00 177.43 176.85 1dqa h ALA 835 N 0.81 0.86 -0.67 -0.83 0.00 -1.79 -0.50 119.26 117.14 1dqa h ALA 835 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1dqa h ALA 835 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1dqa h ALA 835 CO 0.02 0.45 0.29 0.00 0.00 0.00 0.00 179.25 180.01 1dqa h ARG 836 N 0.93 1.00 -0.62 0.00 3.08 -1.09 -0.72 114.38 116.96 1dqa h ARG 836 Ca 0.23 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1dqa h ARG 836 Cb 0.15 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1dqa h ARG 836 CO -0.02 0.82 0.08 0.37 -1.07 0.00 0.00 179.97 180.15 1dqa h GLN 837 N 0.95 1.02 -0.61 0.04 5.75 -0.89 -1.54 115.11 119.82 1dqa h GLN 837 Ca 0.23 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1dqa h GLN 837 Cb 0.18 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1dqa h GLN 837 CO -0.02 0.95 0.12 1.25 -2.65 0.00 0.00 178.83 178.47 1dqa h LEU 838 N 0.95 0.96 -1.17 -2.39 5.85 -0.76 -2.07 115.31 116.68 1dqa h LEU 838 Ca 0.19 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1dqa h LEU 838 Cb 0.44 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1dqa h LEU 838 CO 0.01 0.96 0.55 0.00 -0.34 0.00 0.00 178.44 179.63 1dqa h ALA 839 N 1.03 1.40 -0.60 1.25 0.00 -0.77 -0.87 119.26 120.70 1dqa h ALA 839 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1dqa h ALA 839 Cb 0.40 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1dqa h ALA 839 CO 0.01 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.93 1dqa h ARG 840 N 1.13 0.99 -0.63 0.00 3.08 -0.94 -1.86 114.38 116.15 1dqa h ARG 840 Ca 0.30 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1dqa h ARG 840 Cb -0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 1dqa h ARG 840 CO -0.07 0.92 0.27 0.82 -1.07 0.00 0.00 179.97 180.84 1dqa h ILE 841 N 0.89 1.23 -0.25 2.04 2.04 -0.79 -0.88 117.51 121.80 1dqa h ILE 841 Ca 0.19 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1dqa h ILE 841 Cb 0.40 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1dqa h ILE 841 CO 0.01 0.28 0.14 0.58 0.00 0.00 0.00 178.15 179.16 1dqa h VAL 842 N 0.88 1.10 -0.57 1.67 2.07 -0.92 -0.44 116.25 120.04 1dqa h VAL 842 Ca 0.21 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1dqa h VAL 842 Cb 0.18 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1dqa h VAL 842 CO -0.02 0.10 0.26 0.00 0.02 0.00 0.00 177.57 177.92 1dqa h GLY 844 N 0.77 1.05 1.44 0.00 0.00 -1.05 -1.42 103.07 103.85 1dqa h GLY 844 Ca 0.19 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 1dqa h GLY 844 CO -0.02 0.63 -0.48 -0.84 0.00 0.00 0.00 176.54 175.82 1dqa h THR 845 N 0.91 1.31 -0.50 4.70 2.02 -0.82 -1.20 112.91 119.34 1dqa h THR 845 Ca 0.18 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.67 1dqa h THR 845 Cb 0.41 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1dqa h THR 845 CO 0.01 0.53 0.31 0.58 0.37 0.00 0.00 175.52 177.32 1dqa h VAL 846 N 0.48 1.15 -0.98 3.16 2.07 -0.92 -0.73 116.25 120.49 1dqa h VAL 846 Ca 0.02 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1dqa h VAL 846 Cb 1.02 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1dqa h VAL 846 CO 0.09 0.15 0.65 -0.03 0.02 0.00 0.00 177.57 178.45 1dqa h MET 847 N 0.67 1.26 -0.66 1.57 -1.53 -0.91 0.25 114.93 115.58 1dqa h MET 847 Ca 0.18 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.32 1dqa h MET 847 Cb -0.02 -0.28 -0.03 0.00 -0.55 0.00 0.00 31.60 30.72 1dqa h MET 847 CO -0.03 0.83 0.23 0.00 0.14 0.00 0.00 176.91 178.08 1dqa h ALA 848 N 1.40 0.87 -0.38 0.39 0.00 -0.68 -1.73 119.26 119.12 1dqa h ALA 848 Ca 0.37 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1dqa h ALA 848 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1dqa h ALA 848 CO -0.09 0.53 0.03 0.78 0.00 0.00 0.00 179.25 180.50 1dqa h GLY 849 N 0.96 0.70 0.74 0.00 0.00 0.04 -2.48 103.07 103.02 1dqa h GLY 849 Ca 0.22 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1dqa h GLY 849 CO -0.01 0.45 0.11 0.83 0.00 0.00 0.00 176.54 177.93 1dqa h GLU 850 N 0.48 0.25 -0.24 4.80 4.39 -0.46 -1.66 114.58 122.14 1dqa h GLU 850 Ca 0.11 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.85 1dqa h GLU 850 Cb 0.42 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 1dqa h GLU 850 CO 0.01 0.16 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.83 1dqa h LEU 851 N 0.25 -0.43 -0.36 1.33 3.38 -1.17 -1.10 115.31 117.22 1dqa h LEU 851 Ca 0.14 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1dqa h LEU 851 Cb 0.11 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1dqa h LEU 851 CO -0.14 -0.16 -0.13 -1.28 0.09 0.00 0.00 178.44 176.81 1dqa h SER 852 N -0.10 0.75 -0.37 -0.43 0.87 -1.33 -2.40 113.55 110.53 1dqa h SER 852 Ca 0.13 -0.39 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1dqa h SER 852 Cb 0.30 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1dqa h SER 852 CO -0.31 0.96 0.07 0.25 -0.53 0.00 0.00 176.83 177.27 1dqa h LEU 853 N 0.52 0.58 -1.23 2.23 5.85 -1.25 -1.19 115.31 120.83 1dqa h LEU 853 Ca 0.09 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1dqa h LEU 853 Cb 0.66 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1dqa h LEU 853 CO 0.04 0.69 0.46 0.24 -0.34 0.00 0.00 178.44 179.53 1dqa h MET 854 N 0.46 0.97 -0.40 1.25 2.86 -1.21 0.64 114.93 119.50 1dqa h MET 854 Ca 0.11 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1dqa h MET 854 Cb 0.34 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1dqa h MET 854 CO 0.01 0.67 -0.14 0.00 1.06 0.00 0.00 176.91 178.50 1dqa h ALA 855 N 1.51 0.55 -0.56 6.32 0.00 -1.28 -0.72 119.26 125.07 1dqa h ALA 855 Ca 0.26 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1dqa h ALA 855 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1dqa h ALA 855 CO -0.05 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.72 1dqa h ALA 856 N 0.83 1.05 -0.52 0.00 0.00 -0.57 -1.32 119.26 118.73 1dqa h ALA 856 Ca 0.10 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1dqa h ALA 856 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1dqa h ALA 856 CO 0.05 0.60 0.07 -0.07 0.00 0.00 0.00 179.25 179.91 1dqa h LEU 857 N 0.86 0.83 -0.97 0.00 3.38 -0.68 0.61 115.31 119.34 1dqa h LEU 857 Ca 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1dqa h LEU 857 Cb 0.42 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1dqa h LEU 857 CO 0.01 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.79 1dqa h ALA 858 N 0.97 1.19 -0.01 1.53 0.00 -0.86 -3.02 119.26 119.07 1dqa h ALA 858 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dqa h ALA 858 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1dqa h ALA 858 CO 0.01 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 1dqa n ALA 859 N -2.43 2.80 -2.20 0.00 0.00 -0.52 -4.95 120.51 113.20 1dqa n ALA 859 Ca 0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 1dqa n ALA 859 Cb 0.14 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1dqa n ALA 859 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dqa n GLY 860 N 1.25 0.15 0.75 0.00 0.00 -0.66 -4.96 105.19 101.72 1dqa n GLY 860 Ca 0.16 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.69 1dqa n GLY 860 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dqa n HIS 861 N -3.93 0.00 0.48 1.61 8.25 0.12 -4.72 115.22 117.03 1dqa n HIS 861 Ca -0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 1dqa n HIS 861 Cb 0.55 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.58 1dqa n HIS 861 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1dqa h LEU 862 N 3.68 -1.03 -0.53 2.41 5.85 -1.92 -1.13 115.31 122.64 1dqa h LEU 862 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1dqa h LEU 862 Cb 0.82 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1dqa h LEU 862 CO 0.00 -0.72 0.30 0.58 -0.34 0.00 0.00 178.44 178.26 1dqa h VAL 863 N -1.25 1.17 -0.27 1.05 2.07 -1.94 -2.34 116.25 114.74 1dqa h VAL 863 Ca -0.12 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1dqa h VAL 863 Cb 0.93 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1dqa h VAL 863 CO 0.20 0.18 0.05 0.11 0.02 0.00 0.00 177.57 178.13 1dqa h LYS 864 N 0.71 0.14 -0.89 1.57 1.79 -1.84 -0.77 116.57 117.27 1dqa h LYS 864 Ca 0.19 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1dqa h LYS 864 Cb 0.02 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 1dqa h LYS 864 CO -0.03 0.09 0.59 0.66 -1.08 0.00 0.00 179.45 179.68 1dqa h SER 865 N 0.14 1.02 0.63 0.86 4.64 -1.03 -2.02 113.55 117.78 1dqa h SER 865 Ca 0.13 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1dqa h SER 865 Cb 0.14 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1dqa h SER 865 CO -0.17 0.73 -0.26 0.45 -0.87 0.00 0.00 176.83 176.71 1dqa h HIS 866 N 1.20 0.00 -0.09 4.77 3.86 -0.83 -1.30 115.15 122.76 1dqa h HIS 866 Ca 0.33 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1dqa h HIS 866 Cb -0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1dqa h HIS 866 CO -0.01 0.26 -0.42 0.52 0.86 0.00 0.00 177.93 179.14 1dqa h MET 867 N 0.00 0.20 0.21 2.45 2.07 -0.44 -0.43 114.93 118.99 1dqa h MET 867 Ca -0.00 -0.10 -0.35 0.00 -2.07 0.00 0.00 59.70 57.19 1dqa h MET 867 Cb 0.64 -0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.39 1dqa h MET 867 CO 0.03 0.59 -1.65 0.97 1.07 0.00 0.00 176.91 177.92 1dqa h ILE 868 N 0.17 1.07 -0.01 -1.22 2.10 -0.96 -3.40 117.51 115.26 1dqa h ILE 868 Ca 0.01 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.36 1dqa h ILE 868 Cb 0.81 2.86 0.00 0.00 -1.09 0.00 0.00 36.82 39.40 1dqa h ILE 868 CO 0.06 0.84 -0.25 1.41 -1.08 0.00 0.00 178.15 179.13 1dqa n HIS 869 N -3.62 0.00 -0.68 2.19 8.25 -0.57 -5.10 115.22 115.68 1dqa n HIS 869 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1dqa n HIS 869 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 1dqa n HIS 869 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27