#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6a s LEU 456 N 0.00 4.05 0.44 3.14 1.02 -1.26 -5.06 118.68 121.02 2r6a s LEU 456 Ca 0.00 1.72 -0.18 0.00 0.02 0.00 0.00 54.13 55.69 2r6a s LEU 456 Cb 0.00 -4.38 -0.09 0.00 0.02 0.00 0.00 46.19 41.74 2r6a s LEU 456 CO 0.00 -0.27 0.92 -0.76 0.02 0.00 0.00 176.35 176.25 2r6a s LEU 457 N -2.86 3.85 0.69 1.79 1.02 -1.26 -5.05 118.68 116.85 2r6a s LEU 457 Ca 0.58 1.55 -0.15 0.00 0.02 0.00 0.00 54.13 56.13 2r6a s LEU 457 Cb -0.12 -4.42 0.02 0.00 0.02 0.00 0.00 46.19 41.69 2r6a s LEU 457 CO 0.16 -0.41 1.14 -2.84 0.02 0.00 0.00 176.35 174.41 2r6a s PRO 458 N -3.49 2.56 0.18 1.29 0.02 -1.26 -4.76 135.00 129.54 2r6a s PRO 458 Ca 0.59 1.49 -0.14 0.00 0.02 0.00 0.00 61.00 62.96 2r6a s PRO 458 Cb -0.10 -1.91 0.18 0.00 0.02 0.00 0.00 34.50 32.69 2r6a s PRO 458 CO 0.21 -1.45 1.69 0.00 -0.33 0.00 0.00 177.00 177.12 2r6a h ALA 459 N -0.14 0.47 -0.89 -1.55 0.00 -1.98 -0.91 119.26 114.26 2r6a h ALA 459 Ca -0.47 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2r6a h ALA 459 Cb 1.26 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2r6a h ALA 459 CO 0.52 -0.38 0.58 0.27 0.00 0.00 0.00 179.25 180.25 2r6a h PHE 460 N 0.13 1.05 -0.09 0.00 -0.00 -1.93 0.48 116.94 116.58 2r6a h PHE 460 Ca 0.24 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 58.18 2r6a h PHE 460 Cb 0.35 -0.35 0.00 0.00 -0.00 0.00 0.00 35.95 35.96 2r6a h PHE 460 CO -0.29 0.58 -0.18 0.37 -0.00 0.00 0.00 178.31 178.80 2r6a h GLN 461 N 1.06 0.29 -0.82 6.09 4.15 -1.71 -1.60 115.11 122.57 2r6a h GLN 461 Ca 0.37 -0.18 0.09 0.00 0.77 0.00 0.00 58.65 59.69 2r6a h GLN 461 Cb 0.10 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.74 2r6a h GLN 461 CO -0.12 0.77 0.48 -0.91 -1.93 0.00 0.00 178.83 177.11 2r6a h ASN 462 N -0.16 0.69 -0.71 -0.69 2.35 -0.74 -1.06 115.58 115.26 2r6a h ASN 462 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2r6a h ASN 462 Cb 0.76 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.00 2r6a h ASN 462 CO 0.04 0.40 0.45 0.00 -1.65 0.00 0.00 177.43 176.67 2r6a h ALA 463 N 1.45 1.45 -0.13 -0.83 0.00 0.13 0.03 119.26 121.35 2r6a h ALA 463 Ca 0.39 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2r6a h ALA 463 Cb 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2r6a h ALA 463 CO -0.24 0.49 -0.41 0.93 0.00 0.00 0.00 179.25 180.03 2r6a h GLU 464 N 0.97 0.50 0.21 0.00 5.08 -0.58 -2.54 114.58 118.22 2r6a h GLU 464 Ca 0.26 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2r6a h GLU 464 Cb -0.08 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2r6a h GLU 464 CO -0.05 0.99 -0.10 0.00 -1.00 0.00 0.00 179.01 178.84 2r6a h ARG 465 N 0.10 -0.27 -0.93 2.33 3.08 -0.91 0.03 114.38 117.81 2r6a h ARG 465 Ca -0.01 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 2r6a h ARG 465 Cb 1.03 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 2r6a h ARG 465 CO 0.09 -0.16 0.60 -0.07 -1.07 0.00 0.00 179.97 179.36 2r6a h LEU 466 N -0.32 0.99 -0.07 3.04 3.38 -1.08 0.27 115.31 121.52 2r6a h LEU 466 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2r6a h LEU 466 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2r6a h LEU 466 CO 0.05 0.67 0.03 0.25 0.09 0.00 0.00 178.44 179.53 2r6a h LEU 467 N 1.14 0.09 -0.52 1.67 5.85 -1.25 0.02 115.31 122.32 2r6a h LEU 467 Ca 0.38 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 59.01 2r6a h LEU 467 Cb 0.04 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2r6a h LEU 467 CO -0.13 0.19 0.27 -0.07 -0.34 0.00 0.00 178.44 178.36 2r6a h LEU 468 N -0.01 0.39 -1.15 2.25 4.07 -0.32 -2.36 115.31 118.18 2r6a h LEU 468 Ca 0.02 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.05 2r6a h LEU 468 Cb 0.12 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 2r6a h LEU 468 CO -0.00 0.27 0.58 0.00 -1.08 0.00 0.00 178.44 178.21 2r6a h ALA 469 N 1.28 1.45 -0.60 1.53 0.00 -0.06 -3.43 119.26 119.43 2r6a h ALA 469 Ca 0.23 -0.04 -0.45 0.00 0.00 0.00 0.00 54.91 54.65 2r6a h ALA 469 Cb 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2r6a h ALA 469 CO -0.15 0.46 1.44 -1.01 0.00 0.00 0.00 179.25 179.98 2r6a s HIS 470 N -5.93 2.22 0.00 0.00 3.76 -0.04 -4.85 115.29 110.45 2r6a s HIS 470 Ca -0.12 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2r6a s HIS 470 Cb 0.19 -4.25 0.00 0.00 1.11 0.00 0.00 32.58 29.63 2r6a s HIS 470 CO 0.80 -1.41 0.00 0.54 -0.85 0.00 0.00 174.74 173.82 2r6a n ARG 473 N 8.33 -0.24 -3.65 1.40 1.74 -1.26 -4.82 116.66 118.17 2r6a n ARG 473 Ca 0.46 0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 57.48 2r6a n ARG 473 Cb 0.46 -4.26 -0.11 0.00 -1.02 0.00 0.00 32.46 27.53 2r6a n ARG 473 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2r6a s SER 474 N -1.82 0.10 0.19 0.55 0.15 -1.26 -4.82 113.70 106.79 2r6a s SER 474 Ca 0.00 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.64 2r6a s SER 474 Cb 0.00 1.00 0.53 0.00 -1.71 0.00 0.00 66.02 65.84 2r6a s SER 474 CO 0.00 -0.24 1.53 0.03 1.20 0.00 0.00 173.24 175.76 2r6a h ARG 475 N 8.23 0.00 -0.60 5.44 2.47 -1.96 -2.39 114.38 125.57 2r6a h ARG 475 Ca -0.15 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.47 2r6a h ARG 475 Cb 1.11 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 2r6a h ARG 475 CO 0.14 0.00 -0.02 0.22 0.56 0.00 0.00 179.97 180.87 2r6a h ASP 476 N 0.00 1.05 0.67 7.04 3.58 -1.96 -2.42 116.42 124.38 2r6a h ASP 476 Ca 0.00 -0.31 -0.27 0.00 0.42 0.00 0.00 57.03 56.87 2r6a h ASP 476 Cb 0.78 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2r6a h ASP 476 CO 0.00 1.11 -1.32 0.58 -2.88 0.00 0.00 179.24 176.73 2r6a h VAL 477 N 0.96 1.37 -0.92 2.25 2.07 -1.89 -3.26 116.25 116.83 2r6a h VAL 477 Ca 0.17 -3.04 0.01 0.00 0.82 0.00 0.00 66.70 64.66 2r6a h VAL 477 Cb 0.58 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 2r6a h VAL 477 CO 0.03 0.84 0.61 0.00 0.02 0.00 0.00 177.57 179.07 2r6a h ALA 478 N 0.74 1.36 -0.25 1.67 0.00 -1.34 -1.70 119.26 119.73 2r6a h ALA 478 Ca -0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2r6a h ALA 478 Cb 1.93 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2r6a h ALA 478 CO 0.15 0.59 -0.44 -0.07 0.00 0.00 0.00 179.25 179.47 2r6a h LEU 479 N 1.23 0.67 -0.48 0.00 3.38 -1.53 -2.20 115.31 116.38 2r6a h LEU 479 Ca 0.34 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2r6a h LEU 479 Cb -0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2r6a h LEU 479 CO -0.08 1.02 -0.02 0.58 0.09 0.00 0.00 178.44 180.03 2r6a h VAL 480 N 0.51 1.26 0.00 1.22 2.07 -1.51 -2.83 116.25 116.97 2r6a h VAL 480 Ca 0.03 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 2r6a h VAL 480 Cb 0.97 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2r6a h VAL 480 CO 0.09 0.38 -0.40 0.58 0.02 0.00 0.00 177.57 178.24 2r6a h VAL 481 N 0.71 1.23 -0.56 2.57 2.07 -1.28 -2.41 116.25 118.59 2r6a h VAL 481 Ca 0.13 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 2r6a h VAL 481 Cb 0.54 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2r6a h VAL 481 CO 0.03 0.39 0.09 -0.61 0.02 0.00 0.00 177.57 177.50 2r6a h GLN 482 N 0.00 0.92 -0.01 1.57 4.15 -1.14 0.63 115.11 121.22 2r6a h GLN 482 Ca -0.00 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.07 2r6a h GLN 482 Cb 0.73 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.32 2r6a h GLN 482 CO 0.05 0.88 -0.41 0.93 -1.93 0.00 0.00 178.83 178.35 2r6a h GLU 483 N 0.81 0.29 -0.03 1.69 3.07 -1.50 -3.37 114.58 115.54 2r6a h GLU 483 Ca 0.17 -0.30 -0.16 0.00 -0.50 0.00 0.00 59.36 58.56 2r6a h GLU 483 Cb 0.41 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2r6a h GLU 483 CO 0.01 1.00 -0.70 0.00 -1.40 0.00 0.00 179.01 177.92 2r6a h ARG 484 N -0.29 0.18 -5.55 2.33 2.47 -1.46 -3.44 114.38 108.63 2r6a h ARG 484 Ca -0.05 -0.15 -0.52 0.00 -1.26 0.00 0.00 59.98 58.00 2r6a h ARG 484 Cb 1.13 0.03 -0.29 0.00 -1.65 0.00 0.00 29.97 29.20 2r6a h ARG 484 CO 0.08 0.81 -0.82 0.42 0.56 0.00 0.00 179.97 181.01 2r6a s ILE 485 N -3.53 1.29 0.00 2.04 1.01 0.21 -5.03 121.20 117.19 2r6a s ILE 485 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2r6a s ILE 485 Cb 0.11 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2r6a s ILE 485 CO 0.80 0.32 0.69 0.61 0.00 0.00 0.00 174.94 177.37 2r6a n GLY 486 N 2.56 -3.22 3.86 6.18 0.00 -1.26 -4.05 105.19 109.25 2r6a n GLY 486 Ca -0.15 0.46 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 2r6a n GLY 486 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r6a s GLY 487 N -0.38 2.15 0.00 -0.02 0.00 -1.26 -4.75 107.32 103.05 2r6a s GLY 487 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2r6a s GLY 487 CO 0.00 0.19 0.00 0.54 0.00 0.00 0.00 173.10 173.83 2r6a n ARG 488 N -0.88 0.00 -2.21 2.90 1.74 -1.26 -5.00 116.66 111.94 2r6a n ARG 488 Ca 0.04 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.75 2r6a n ARG 488 Cb 0.54 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 2r6a n ARG 488 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2r6a s PHE 489 N -1.76 2.71 0.07 -1.55 0.08 -1.26 -4.87 117.98 111.41 2r6a s PHE 489 Ca 0.00 1.53 -0.00 0.00 0.12 0.00 0.00 56.93 58.58 2r6a s PHE 489 Cb 0.00 -3.37 -0.26 0.00 -0.57 0.00 0.00 43.02 38.82 2r6a s PHE 489 CO 0.00 -1.68 1.12 -0.91 -0.10 0.00 0.00 175.22 173.65 2r6a h ASN 490 N 1.54 0.27 -3.24 1.36 2.35 -1.97 -3.44 115.58 112.45 2r6a h ASN 490 Ca -0.50 -0.31 -0.60 0.00 -0.55 0.00 0.00 56.30 54.34 2r6a h ASN 490 Cb 1.26 -0.09 -0.11 0.00 0.05 0.00 0.00 38.32 39.44 2r6a h ASN 490 CO 0.58 1.25 -0.40 -0.63 -1.65 0.00 0.00 177.43 176.58 2r6a s ILE 491 N -2.66 5.35 0.16 2.81 1.01 -1.26 -5.02 121.20 121.60 2r6a s ILE 491 Ca -0.03 0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 2r6a s ILE 491 Cb 0.08 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 39.02 2r6a s ILE 491 CO 0.86 0.43 1.57 -0.33 0.00 0.00 0.00 174.94 177.46 2r6a h GLU 492 N 6.55 -0.24 -0.95 2.79 5.08 -1.99 0.27 114.58 126.07 2r6a h GLU 492 Ca -0.42 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2r6a h GLU 492 Cb 1.16 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 2r6a h GLU 492 CO 0.75 -0.16 0.60 0.93 -1.00 0.00 0.00 179.01 180.13 2r6a h GLU 493 N -0.25 0.73 -0.43 2.33 5.08 -1.98 0.14 114.58 120.20 2r6a h GLU 493 Ca 0.17 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2r6a h GLU 493 Cb 0.57 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2r6a h GLU 493 CO -0.66 0.48 -0.24 0.45 -1.00 0.00 0.00 179.01 178.03 2r6a h HIS 494 N 0.75 1.03 -0.54 4.33 3.86 -1.41 0.06 115.15 123.23 2r6a h HIS 494 Ca 0.50 -0.25 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 2r6a h HIS 494 Cb 0.78 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 2r6a h HIS 494 CO -0.00 1.04 0.04 0.00 0.86 0.00 0.00 177.93 179.87 2r6a h ARG 495 N 0.77 0.88 0.23 2.45 3.08 0.19 0.13 114.38 122.11 2r6a h ARG 495 Ca 0.10 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2r6a h ARG 495 Cb 0.80 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2r6a h ARG 495 CO 0.07 0.85 -0.11 0.00 -1.07 0.00 0.00 179.97 179.71 2r6a h ALA 496 N 1.22 -0.31 -0.54 0.04 0.00 -0.49 -1.82 119.26 117.35 2r6a h ALA 496 Ca 0.16 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2r6a h ALA 496 Cb 0.43 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2r6a h ALA 496 CO 0.02 -0.58 0.29 -0.07 0.00 0.00 0.00 179.25 178.91 2r6a h LEU 497 N -0.51 0.44 -0.42 0.00 3.38 -0.91 -2.55 115.31 114.74 2r6a h LEU 497 Ca -0.03 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2r6a h LEU 497 Cb 0.38 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2r6a h LEU 497 CO 0.05 0.30 -0.26 0.00 0.09 0.00 0.00 178.44 178.62 2r6a h ALA 498 N 1.28 -0.01 -0.54 1.53 0.00 -0.88 0.20 119.26 120.84 2r6a h ALA 498 Ca 0.23 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2r6a h ALA 498 Cb 0.11 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 2r6a h ALA 498 CO -0.14 -0.63 0.12 0.00 0.00 0.00 0.00 179.25 178.59 2r6a h ALA 499 N 1.00 0.62 0.00 0.00 0.00 -1.00 0.24 119.26 120.12 2r6a h ALA 499 Ca 0.20 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2r6a h ALA 499 Cb 0.49 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2r6a h ALA 499 CO -0.53 -0.30 -0.37 1.88 0.00 0.00 0.00 179.25 179.94 2r6a h TYR 500 N 0.26 0.00 0.02 0.00 0.05 -0.82 -2.00 116.97 114.47 2r6a h TYR 500 Ca 0.27 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.85 2r6a h TYR 500 Cb 0.37 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.13 2r6a h TYR 500 CO -0.23 0.37 -0.81 0.82 -1.05 0.00 0.00 178.16 177.26 2r6a h ILE 501 N 0.00 1.37 -0.58 -2.88 2.04 0.44 -2.96 117.51 114.95 2r6a h ILE 501 Ca -0.00 -2.19 0.02 0.00 1.00 0.00 0.00 64.86 63.69 2r6a h ILE 501 Cb 0.69 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 2r6a h ILE 501 CO 0.05 0.65 0.36 1.88 0.00 0.00 0.00 178.15 181.09 2r6a h TYR 502 N 0.07 0.67 -0.14 1.37 0.05 -0.41 -2.54 116.97 116.04 2r6a h TYR 502 Ca -0.11 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 2r6a h TYR 502 Cb 1.51 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 2r6a h TYR 502 CO 0.13 0.39 -0.07 0.00 -1.05 0.00 0.00 178.16 177.56 2r6a h ALA 503 N 1.25 1.62 -0.97 3.88 0.00 -1.43 -2.61 119.26 120.99 2r6a h ALA 503 Ca 0.23 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2r6a h ALA 503 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2r6a h ALA 503 CO -0.09 0.28 0.60 0.35 0.00 0.00 0.00 179.25 180.39 2r6a h PHE 504 N 0.21 1.09 0.11 0.00 3.57 -1.27 -2.68 116.94 117.96 2r6a h PHE 504 Ca 0.05 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.25 2r6a h PHE 504 Cb 0.27 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2r6a h PHE 504 CO 0.00 0.44 -1.76 -0.92 -2.23 0.00 0.00 178.31 173.84 2r6a h TYR 505 N 0.96 0.42 0.00 0.41 3.20 -1.60 -2.84 116.97 117.53 2r6a h TYR 505 Ca 0.47 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2r6a h TYR 505 Cb 0.45 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.70 2r6a h TYR 505 CO -0.02 1.50 0.00 0.39 -1.64 0.00 0.00 178.16 178.40 2r6a n GLU 506 N -3.41 0.45 0.00 1.82 1.02 -1.00 -0.80 120.64 118.71 2r6a n GLU 506 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2r6a n GLU 506 Cb 1.05 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 2r6a n GLU 506 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2r6a n GLU 507 N 0.45 0.87 0.00 3.49 1.02 -1.10 -4.99 120.64 120.39 2r6a n GLU 507 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2r6a n GLU 507 Cb 0.15 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 2r6a n GLU 507 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r6a n GLY 508 N 1.24 3.16 2.22 0.62 0.00 0.02 -5.13 105.19 107.32 2r6a n GLY 508 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2r6a n GLY 508 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2r6a n HIS 509 N 0.00 0.07 -3.68 1.61 8.25 -1.07 -4.79 115.22 115.61 2r6a n HIS 509 Ca 0.00 0.66 -0.20 0.00 -0.26 0.00 0.00 57.72 57.92 2r6a n HIS 509 Cb 0.00 -1.31 0.01 0.00 1.12 0.00 0.00 29.99 29.81 2r6a n HIS 509 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2r6a n GLU 510 N 0.82 0.82 -1.34 -0.41 1.02 -1.26 -4.05 120.64 116.23 2r6a n GLU 510 Ca 0.12 -2.68 -0.37 0.00 -0.02 0.00 0.00 57.16 54.21 2r6a n GLU 510 Cb 0.10 0.21 -0.13 0.00 -0.02 0.00 0.00 31.44 31.60 2r6a n GLU 510 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2r6a n ALA 511 N -2.15 0.26 -3.14 0.62 0.00 -1.26 -4.85 120.51 109.99 2r6a n ALA 511 Ca -0.13 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.07 2r6a n ALA 511 Cb 0.49 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 2r6a n ALA 511 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2r6a s ASP 512 N 8.05 -1.34 0.09 0.00 2.15 -1.26 -5.02 116.67 119.34 2r6a s ASP 512 Ca 1.22 -0.62 0.13 0.00 0.43 0.00 0.00 52.55 53.71 2r6a s ASP 512 Cb -1.13 1.72 0.60 0.00 -0.30 0.00 0.00 42.92 43.81 2r6a s ASP 512 CO 0.44 -0.15 1.42 -0.81 -0.17 0.00 0.00 175.17 175.90 2r6a n PRO 513 N 4.36 0.06 0.06 4.34 -0.04 -1.26 -2.92 135.00 139.60 2r6a n PRO 513 Ca 0.10 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2r6a n PRO 513 Cb 0.58 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 2r6a n PRO 513 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2r6a h GLY 514 N 1.50 -0.21 2.00 0.55 0.00 -1.98 -3.20 103.07 101.73 2r6a h GLY 514 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2r6a h GLY 514 CO 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 176.54 176.27 2r6a h ALA 515 N -0.07 1.01 -0.06 3.60 0.00 -1.95 -3.22 119.26 118.56 2r6a h ALA 515 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2r6a h ALA 515 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2r6a h ALA 515 CO 0.03 0.24 -0.06 1.25 0.00 0.00 0.00 179.25 180.71 2r6a h LEU 516 N 0.00 0.15 -0.05 0.00 6.46 -1.63 -3.11 115.31 117.13 2r6a h LEU 516 Ca -0.00 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2r6a h LEU 516 Cb 0.74 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2r6a h LEU 516 CO 0.02 0.62 0.00 -0.38 -0.62 0.00 0.00 178.44 178.08 2r6a n ILE 517 N -4.73 0.00 0.12 4.05 5.41 -1.21 -2.38 119.36 120.62 2r6a n ILE 517 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.69 2r6a n ILE 517 Cb 0.30 -0.33 -0.02 0.00 -0.71 0.00 0.00 39.64 38.88 2r6a n ILE 517 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2r6a n SER 518 N -0.46 1.32 -0.00 4.38 3.41 -1.17 -4.63 113.62 116.47 2r6a n SER 518 Ca 0.00 -0.42 0.06 0.00 -0.26 0.00 0.00 58.87 58.25 2r6a n SER 518 Cb 0.00 1.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.92 2r6a n SER 518 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2r6a n ARG 519 N -1.25 1.77 -2.08 4.33 1.74 -1.00 -4.97 116.66 115.20 2r6a n ARG 519 Ca 0.00 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 2r6a n ARG 519 Cb 0.07 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 2r6a n ARG 519 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2r6a s ILE 520 N -2.49 2.85 0.00 0.55 2.07 -1.16 -4.89 121.20 118.12 2r6a s ILE 520 Ca 0.00 0.71 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 2r6a s ILE 520 Cb 0.09 -3.45 0.00 0.00 0.13 0.00 0.00 42.46 39.23 2r6a s ILE 520 CO 0.52 0.11 0.21 -0.81 -1.91 0.00 0.00 174.94 173.06 2r6a n PRO 521 N 2.50 0.20 0.00 3.50 -0.04 -1.26 -4.75 135.00 135.14 2r6a n PRO 521 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2r6a n PRO 521 Cb 0.41 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2r6a n PRO 521 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2r6a n GLY 522 N 0.94 0.73 0.14 0.55 0.00 -1.26 -4.47 105.19 101.82 2r6a n GLY 522 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2r6a n GLY 522 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2r6a h GLU 523 N 0.00 0.03 0.00 1.61 4.11 -2.03 -3.12 114.58 115.18 2r6a h GLU 523 Ca 0.00 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 2r6a h GLU 523 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2r6a h GLU 523 CO 0.00 0.62 -1.28 -0.07 0.07 0.00 0.00 179.01 178.35 2r6a h LEU 524 N 0.02 0.00 -0.94 3.06 3.38 -1.91 -3.40 115.31 115.53 2r6a h LEU 524 Ca -0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.11 2r6a h LEU 524 Cb 1.07 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2r6a h LEU 524 CO 0.08 0.56 -0.36 0.00 0.09 0.00 0.00 178.44 178.82 2r6a n GLN 525 N -2.93 -0.21 -0.34 1.13 6.02 -1.18 -0.28 117.38 119.59 2r6a n GLN 525 Ca -0.08 1.46 0.17 0.00 -0.01 0.00 0.00 57.00 58.53 2r6a n GLN 525 Cb 0.82 -2.16 0.39 0.00 1.02 0.00 0.00 30.24 30.31 2r6a n GLN 525 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2r6a h PRO 526 N 0.00 0.60 -0.06 -1.09 0.13 -1.77 0.16 132.00 129.97 2r6a h PRO 526 Ca 0.34 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.38 2r6a h PRO 526 Cb 0.58 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2r6a h PRO 526 CO -0.94 0.40 -0.18 1.25 -0.23 0.00 0.00 178.00 178.30 2r6a h LEU 527 N 0.62 0.26 -0.90 1.56 5.85 -0.93 -2.25 115.31 119.52 2r6a h LEU 527 Ca 0.60 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2r6a h LEU 527 Cb 1.13 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2r6a h LEU 527 CO -0.39 0.82 0.55 0.00 -0.34 0.00 0.00 178.44 179.08 2r6a h ALA 528 N 0.44 1.14 0.12 1.25 0.00 -0.92 -1.08 119.26 120.22 2r6a h ALA 528 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2r6a h ALA 528 Cb 0.80 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2r6a h ALA 528 CO 0.04 0.59 -0.24 1.03 0.00 0.00 0.00 179.25 180.67 2r6a h SER 529 N 1.23 -0.67 -0.32 0.00 0.87 -0.74 -1.72 113.55 112.20 2r6a h SER 529 Ca 0.32 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 61.00 2r6a h SER 529 Cb -0.06 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2r6a h SER 529 CO -0.06 -0.33 0.09 -0.08 -0.53 0.00 0.00 176.83 175.93 2r6a h GLU 530 N -0.44 0.22 -0.11 2.24 4.81 -0.84 -2.71 114.58 117.75 2r6a h GLU 530 Ca 0.03 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2r6a h GLU 530 Cb 0.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2r6a h GLU 530 CO -0.13 0.14 -0.23 -0.07 -0.73 0.00 0.00 179.01 177.99 2r6a h LEU 531 N 0.22 0.19 0.00 1.64 3.38 -1.12 -2.66 115.31 116.97 2r6a h LEU 531 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2r6a h LEU 531 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2r6a h LEU 531 CO -0.17 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.26 2r6a n SER 532 N -4.19 0.00 0.00 -0.43 3.41 -0.66 -2.25 113.62 109.51 2r6a n SER 532 Ca -0.01 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 2r6a n SER 532 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2r6a n SER 532 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2r6a n LEU 533 N -0.87 0.00 -4.61 1.04 4.77 -1.01 -5.06 117.00 111.26 2r6a n LEU 533 Ca 0.11 -0.43 -0.40 0.00 -0.03 0.00 0.00 56.01 55.26 2r6a n LEU 533 Cb 0.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2r6a n LEU 533 CO 0.09 0.00 0.56 -0.11 -1.33 0.00 0.00 177.39 176.60 2r6a n LEU 534 N -0.97 2.91 -4.55 2.23 7.94 -0.95 -4.80 117.00 118.80 2r6a n LEU 534 Ca 0.00 0.95 -0.31 0.00 -1.11 0.00 0.00 56.01 55.54 2r6a n LEU 534 Cb 0.00 -1.36 -0.04 0.00 0.53 0.00 0.00 43.42 42.55 2r6a n LEU 534 CO 0.00 -1.63 1.51 -0.22 -1.11 0.00 0.00 177.39 175.94 2r6a s LEU 535 N -0.96 3.22 -0.01 -1.96 2.96 -1.26 -4.94 118.68 115.72 2r6a s LEU 535 Ca 0.67 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2r6a s LEU 535 Cb -0.50 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 2r6a s LEU 535 CO 0.54 -2.70 -0.10 0.27 -1.32 0.00 0.00 176.35 173.04 2r6a s ILE 536 N 10.26 0.84 -0.34 6.68 -4.36 -1.26 -5.10 121.20 127.91 2r6a s ILE 536 Ca 0.73 -0.44 -0.22 0.00 -0.26 0.00 0.00 60.65 60.46 2r6a s ILE 536 Cb -0.11 -0.71 0.00 0.00 1.25 0.00 0.00 42.46 42.90 2r6a s ILE 536 CO 0.12 0.24 0.73 0.00 0.24 0.00 0.00 174.94 176.27 2r6a s ALA 537 N -0.18 3.48 -1.26 2.27 0.00 -1.26 -4.95 121.76 119.85 2r6a s ALA 537 Ca 0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 2r6a s ALA 537 Cb -0.05 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2r6a s ALA 537 CO -0.00 -1.32 2.27 -3.47 0.00 0.00 0.00 175.76 173.24 2r6a n ASP 538 N 6.21 4.53 -2.87 0.00 2.03 -1.26 -4.22 116.55 120.97 2r6a n ASP 538 Ca 0.02 -2.69 0.01 0.00 0.52 0.00 0.00 54.79 52.64 2r6a n ASP 538 Cb 0.48 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 2r6a n ASP 538 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2r6a s ASP 539 N 3.49 -0.67 0.28 1.67 -1.08 -1.26 -5.12 116.67 113.98 2r6a s ASP 539 Ca 0.53 -0.39 -0.29 0.00 -0.52 0.00 0.00 52.55 51.87 2r6a s ASP 539 Cb 0.14 0.86 -0.10 0.00 -1.46 0.00 0.00 42.92 42.37 2r6a s ASP 539 CO -0.03 -0.07 1.16 -0.69 0.52 0.00 0.00 175.17 176.06 2r6a s VAL 540 N 1.81 3.32 0.57 1.11 1.01 -1.26 -5.03 120.40 121.93 2r6a s VAL 540 Ca 0.16 1.30 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 2r6a s VAL 540 Cb 0.02 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2r6a s VAL 540 CO -0.12 0.30 1.01 -0.55 0.00 0.00 0.00 175.10 175.74 2r6a s SER 541 N -0.69 6.33 0.17 3.32 0.15 -1.26 -4.98 113.70 116.74 2r6a s SER 541 Ca 0.46 1.54 -0.15 0.00 0.70 0.00 0.00 55.95 58.50 2r6a s SER 541 Cb -0.34 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 61.60 2r6a s SER 541 CO 0.43 -0.80 1.71 1.05 1.20 0.00 0.00 173.24 176.83 2r6a h GLU 542 N 0.32 0.15 -0.31 5.44 9.09 -2.02 -2.69 114.58 124.57 2r6a h GLU 542 Ca -0.46 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 58.84 2r6a h GLU 542 Cb 1.19 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2r6a h GLU 542 CO 0.61 0.10 -0.25 0.37 0.05 0.00 0.00 179.01 179.89 2r6a h GLN 543 N 0.16 0.60 -0.37 1.06 5.75 -2.00 -3.15 115.11 117.16 2r6a h GLN 543 Ca 0.21 -0.24 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2r6a h GLN 543 Cb 0.28 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.75 2r6a h GLN 543 CO -0.31 0.80 0.05 0.93 -2.65 0.00 0.00 178.83 177.66 2r6a h GLU 544 N 0.53 0.16 -0.20 1.69 5.08 -1.87 0.68 114.58 120.66 2r6a h GLU 544 Ca 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2r6a h GLU 544 Cb 0.71 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2r6a h GLU 544 CO 0.05 0.11 0.11 -0.07 -1.00 0.00 0.00 179.01 178.22 2r6a h LEU 545 N 0.17 0.25 -0.62 1.33 4.07 -1.53 0.24 115.31 119.22 2r6a h LEU 545 Ca 0.18 -0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.15 2r6a h LEU 545 Cb 0.22 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.82 2r6a h LEU 545 CO -0.25 0.25 0.25 -0.33 -1.08 0.00 0.00 178.44 177.28 2r6a h GLU 546 N 0.22 0.43 0.20 1.13 4.39 -1.41 0.21 114.58 119.75 2r6a h GLU 546 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2r6a h GLU 546 Cb 0.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2r6a h GLU 546 CO -0.01 0.29 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.59 2r6a h ASP 547 N 0.45 -0.22 0.56 1.42 3.32 -0.46 -1.15 116.42 120.32 2r6a h ASP 547 Ca 0.31 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2r6a h ASP 547 Cb 0.36 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2r6a h ASP 547 CO -0.29 0.02 -0.33 1.88 -1.72 0.00 0.00 179.24 178.80 2r6a h TYR 548 N -0.47 -0.86 -0.98 4.55 0.05 -0.17 -2.12 116.97 116.98 2r6a h TYR 548 Ca -0.03 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.87 2r6a h TYR 548 Cb 0.36 0.30 -0.09 0.00 1.01 0.00 0.00 36.73 38.31 2r6a h TYR 548 CO -0.01 -0.50 0.60 0.82 -1.05 0.00 0.00 178.16 178.02 2r6a h ILE 549 N -0.83 0.87 -0.42 -2.88 2.04 -0.65 -1.19 117.51 114.44 2r6a h ILE 549 Ca -0.07 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 2r6a h ILE 549 Cb 0.67 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2r6a h ILE 549 CO 0.08 0.17 -0.04 -0.09 0.00 0.00 0.00 178.15 178.27 2r6a h ARG 550 N 0.91 0.71 -0.09 2.37 2.43 -1.01 0.22 114.38 119.92 2r6a h ARG 550 Ca 0.50 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 2r6a h ARG 550 Cb 0.56 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2r6a h ARG 550 CO -0.29 0.75 -0.40 0.45 -1.51 0.00 0.00 179.97 178.97 2r6a h HIS 551 N 0.66 0.24 0.11 2.20 3.86 -0.55 -2.70 115.15 118.97 2r6a h HIS 551 Ca 0.13 -0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 59.08 2r6a h HIS 551 Cb 0.47 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 28.90 2r6a h HIS 551 CO 0.02 0.58 -0.83 0.28 0.86 0.00 0.00 177.93 178.84 2r6a h VAL 552 N 0.17 1.46 -0.29 2.45 2.07 -0.71 -3.19 116.25 118.22 2r6a h VAL 552 Ca 0.02 -2.42 -0.09 0.00 0.82 0.00 0.00 66.70 65.02 2r6a h VAL 552 Cb 0.79 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 2r6a h VAL 552 CO 0.06 0.70 -0.19 -0.07 0.02 0.00 0.00 177.57 178.08 2r6a h LEU 553 N -0.23 0.52 -3.40 2.57 3.38 -0.59 -3.12 115.31 114.44 2r6a h LEU 553 Ca -0.14 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2r6a h LEU 553 Cb 1.61 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 2r6a h LEU 553 CO 0.16 0.73 0.04 -0.46 0.09 0.00 0.00 178.44 179.00 2r6a n ASN 554 N -4.15 3.98 -0.03 -0.43 0.23 -1.02 -4.34 115.26 109.50 2r6a n ASN 554 Ca 0.00 -3.18 -0.13 0.00 -0.53 0.00 0.00 54.58 50.74 2r6a n ASN 554 Cb 0.37 -0.61 -0.08 0.00 -2.08 0.00 0.00 39.78 37.38 2r6a n ASN 554 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2r6a h ARG 555 N 2.00 0.14 -0.45 -3.83 9.65 -1.52 -2.94 114.38 117.42 2r6a h ARG 555 Ca 0.09 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.04 2r6a h ARG 555 Cb 1.70 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.26 2r6a h ARG 555 CO 0.38 0.48 0.32 -1.35 2.80 0.00 0.00 179.97 182.60 2r6a h PRO 556 N -0.21 0.02 -0.15 0.20 0.11 -1.78 -0.82 132.00 129.37 2r6a h PRO 556 Ca 0.02 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 2r6a h PRO 556 Cb 0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2r6a h PRO 556 CO 0.01 0.02 -0.47 0.87 -0.21 0.00 0.00 178.00 178.21 2r6a h LYS 557 N 0.02 0.38 -0.16 1.05 1.57 -1.80 -2.69 116.57 114.93 2r6a h LYS 557 Ca 0.21 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2r6a h LYS 557 Cb 0.83 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2r6a h LYS 557 CO -0.01 0.77 -0.41 -1.49 -0.57 0.00 0.00 179.45 177.74 2r6a h TRP 558 N 0.30 0.45 0.00 -1.35 4.06 -0.99 -3.24 115.95 115.18 2r6a h TRP 558 Ca 0.02 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 2r6a h TRP 558 Cb 0.95 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 2r6a h TRP 558 CO 0.03 0.73 0.02 1.28 -3.56 0.00 0.00 178.44 176.94 2r6a n LEU 559 N -4.02 2.60 0.00 -4.49 4.77 -0.95 -3.95 117.00 110.96 2r6a n LEU 559 Ca -0.02 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2r6a n LEU 559 Cb 0.50 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2r6a n LEU 559 CO 0.43 0.52 0.00 0.18 -1.33 0.00 0.00 177.39 177.19 2r6a n LEU 561 N 2.02 0.00 0.29 2.23 4.77 -1.22 -4.14 117.00 120.95 2r6a n LEU 561 Ca 0.06 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.23 2r6a n LEU 561 Cb 0.30 0.00 1.02 0.00 -2.33 0.00 0.00 43.42 42.41 2r6a n LEU 561 CO 0.05 0.00 1.09 0.11 -1.33 0.00 0.00 177.39 177.31 2r6a h LYS 562 N 0.00 0.00 -0.23 3.23 1.57 -1.93 0.17 116.57 119.39 2r6a h LYS 562 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2r6a h LYS 562 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2r6a h LYS 562 CO 0.00 0.00 -0.11 0.28 -0.57 0.00 0.00 179.45 179.05 2r6a h VAL 563 N 0.00 1.30 0.00 0.50 2.07 -1.94 -2.64 116.25 115.54 2r6a h VAL 563 Ca 0.00 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 2r6a h VAL 563 Cb 0.08 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2r6a h VAL 563 CO 0.00 0.36 -0.59 0.11 0.02 0.00 0.00 177.57 177.47 2r6a h LYS 564 N 0.18 0.00 -0.74 1.57 1.57 -1.14 -2.49 116.57 115.52 2r6a h LYS 564 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2r6a h LYS 564 Cb 0.60 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2r6a h LYS 564 CO 0.03 0.59 0.38 1.49 -0.57 0.00 0.00 179.45 181.37 2r6a h GLU 565 N 0.00 1.05 -0.17 3.15 4.57 -0.90 0.91 114.58 123.19 2r6a h GLU 565 Ca -0.01 -0.13 -0.18 0.00 -1.18 0.00 0.00 59.36 57.87 2r6a h GLU 565 Cb 1.11 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2r6a h GLU 565 CO 0.08 0.79 -0.58 1.96 -1.18 0.00 0.00 179.01 180.08 2r6a h GLN 566 N 1.05 0.69 -0.74 1.92 1.08 -1.32 -1.79 115.11 116.00 2r6a h GLN 566 Ca 0.26 -0.52 0.10 0.00 -1.45 0.00 0.00 58.65 57.04 2r6a h GLN 566 Cb 0.07 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.52 2r6a h GLN 566 CO -0.04 1.14 0.37 0.93 -0.95 0.00 0.00 178.83 180.28 2r6a h GLU 567 N 0.39 0.60 -0.03 1.46 5.08 -1.07 -0.71 114.58 120.28 2r6a h GLU 567 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2r6a h GLU 567 Cb 1.21 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2r6a h GLU 567 CO 0.12 0.39 0.01 -0.22 -1.00 0.00 0.00 179.01 178.31 2r6a h LYS 568 N 0.61 0.05 -0.00 2.33 3.64 -0.74 -2.41 116.57 120.05 2r6a h LYS 568 Ca 0.37 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 2r6a h LYS 568 Cb 0.41 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2r6a h LYS 568 CO -0.28 0.25 -0.38 1.79 -2.27 0.00 0.00 179.45 178.56 2r6a h THR 569 N -0.17 1.27 -0.18 1.00 1.35 -0.90 -1.25 112.91 114.04 2r6a h THR 569 Ca 0.01 -1.29 -0.12 0.00 -0.55 0.00 0.00 66.41 64.46 2r6a h THR 569 Cb 0.22 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2r6a h THR 569 CO -0.00 0.37 -0.35 -0.08 -0.25 0.00 0.00 175.52 175.21 2r6a h GLU 570 N 0.00 0.56 -0.51 4.72 4.57 -1.16 0.06 114.58 122.82 2r6a h GLU 570 Ca -0.00 -0.36 0.09 0.00 -1.18 0.00 0.00 59.36 57.91 2r6a h GLU 570 Cb 0.67 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.23 2r6a h GLU 570 CO 0.05 0.97 0.08 0.00 -1.18 0.00 0.00 179.01 178.93 2r6a h ALA 571 N 0.58 0.56 -0.50 2.92 0.00 -1.15 -1.08 119.26 120.60 2r6a h ALA 571 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2r6a h ALA 571 Cb 0.95 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2r6a h ALA 571 CO 0.08 -0.33 0.33 1.49 0.00 0.00 0.00 179.25 180.81 2r6a h GLU 572 N 0.21 0.67 -0.29 0.00 4.81 -0.95 0.92 114.58 119.95 2r6a h GLU 572 Ca 0.26 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 2r6a h GLU 572 Cb 0.37 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2r6a h GLU 572 CO -0.36 0.45 -0.39 0.00 -0.73 0.00 0.00 179.01 177.97 2r6a h ARG 573 N 0.69 0.68 -0.86 1.92 2.47 0.29 -2.82 114.38 116.74 2r6a h ARG 573 Ca 0.18 -0.35 -0.24 0.00 -1.26 0.00 0.00 59.98 58.31 2r6a h ARG 573 Cb -0.06 0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.12 2r6a h ARG 573 CO -0.04 0.95 0.31 2.89 0.56 0.00 0.00 179.97 184.64 2r6a n ARG 574 N -4.04 2.88 -1.29 0.04 1.85 -0.86 -4.91 116.66 110.33 2r6a n ARG 574 Ca -0.02 -2.45 -0.12 0.00 -1.00 0.00 0.00 57.85 54.26 2r6a n ARG 574 Cb 0.52 -2.01 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 2r6a n ARG 574 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2r6a n LYS 575 N -0.27 -1.48 -1.37 2.89 5.02 -1.00 -4.87 118.16 117.08 2r6a n LYS 575 Ca 0.37 0.79 -0.38 0.00 -2.02 0.00 0.00 58.31 57.07 2r6a n LYS 575 Cb 1.26 -5.00 -0.02 0.00 -0.02 0.00 0.00 35.03 31.25 2r6a n LYS 575 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2r6a n ASP 576 N -0.57 6.95 -0.32 4.39 -0.08 0.28 -4.80 116.55 122.41 2r6a n ASP 576 Ca -0.12 -2.62 -0.04 0.00 -1.51 0.00 0.00 54.79 50.50 2r6a n ASP 576 Cb 0.47 -1.53 0.08 0.00 2.34 0.00 0.00 41.12 42.48 2r6a n ASP 576 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2r6a h PHE 577 N 5.47 1.11 -0.29 -0.67 0.04 -1.90 -1.69 116.94 119.01 2r6a h PHE 577 Ca 0.75 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 61.43 2r6a h PHE 577 Cb 0.38 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2r6a h PHE 577 CO 1.76 0.72 -0.23 -0.07 -0.60 0.00 0.00 178.31 179.90 2r6a h LEU 578 N 1.17 0.55 0.25 1.54 3.38 -1.97 0.15 115.31 120.38 2r6a h LEU 578 Ca 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2r6a h LEU 578 Cb -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2r6a h LEU 578 CO -0.06 0.78 -0.12 0.74 0.09 0.00 0.00 178.44 179.86 2r6a h THR 579 N 0.49 0.78 -0.96 0.22 2.02 -1.90 -0.88 112.91 112.67 2r6a h THR 579 Ca 0.07 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.21 2r6a h THR 579 Cb 0.66 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 2r6a h THR 579 CO 0.05 0.03 0.62 0.00 0.37 0.00 0.00 175.52 176.59 2r6a h ALA 580 N 0.33 1.54 -0.39 6.16 0.00 -0.85 -0.71 119.26 125.32 2r6a h ALA 580 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2r6a h ALA 580 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2r6a h ALA 580 CO 0.06 0.27 -0.19 0.00 0.00 0.00 0.00 179.25 179.38 2r6a h ALA 581 N 1.52 0.55 -0.76 0.00 0.00 -0.55 -1.64 119.26 118.37 2r6a h ALA 581 Ca 0.45 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2r6a h ALA 581 Cb 0.37 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2r6a h ALA 581 CO -0.21 0.50 0.49 -0.09 0.00 0.00 0.00 179.25 179.95 2r6a h ARG 582 N 0.63 0.93 -0.31 0.00 2.43 -0.12 0.28 114.38 118.22 2r6a h ARG 582 Ca 0.09 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2r6a h ARG 582 Cb 0.75 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2r6a h ARG 582 CO 0.06 0.61 0.14 0.82 -1.51 0.00 0.00 179.97 180.10 2r6a h ILE 583 N 0.95 1.16 -0.45 1.20 2.04 -0.97 -1.00 117.51 120.45 2r6a h ILE 583 Ca 0.30 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2r6a h ILE 583 Cb -0.00 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2r6a h ILE 583 CO -0.10 0.17 0.22 0.00 0.00 0.00 0.00 178.15 178.43 2r6a h ALA 584 N 1.00 1.54 -0.53 1.87 0.00 -0.55 -2.21 119.26 120.37 2r6a h ALA 584 Ca 0.11 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2r6a h ALA 584 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2r6a h ALA 584 CO -0.01 0.37 -0.10 -0.22 0.00 0.00 0.00 179.25 179.29 2r6a h LYS 585 N 0.62 0.98 -1.35 0.00 3.64 0.33 -2.15 116.57 118.65 2r6a h LYS 585 Ca 0.16 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2r6a h LYS 585 Cb 0.07 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2r6a h LYS 585 CO -0.02 1.03 0.00 0.39 -2.27 0.00 0.00 179.45 178.58 2r6a n GLU 586 N -4.15 0.20 0.00 1.90 1.02 -0.45 -3.03 120.64 116.13 2r6a n GLU 586 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2r6a n GLU 586 Cb 0.39 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2r6a n GLU 586 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2r6a n ILE 588 N 0.76 0.00 0.12 -3.67 5.41 -0.81 -4.67 119.36 116.50 2r6a n ILE 588 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2r6a n ILE 588 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2r6a n ILE 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2r6a n GLU 589 N 0.00 0.12 0.00 0.38 -0.58 -1.17 -0.78 120.64 118.61 2r6a n GLU 589 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2r6a n GLU 589 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2r6a n GLU 589 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2r6a n LYS 591 N 0.58 0.00 -0.00 3.49 5.02 -1.26 -4.72 118.16 121.27 2r6a n LYS 591 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2r6a n LYS 591 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 2r6a n LYS 591 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2r6a n LYS 592 N 0.00 0.01 0.00 1.97 5.02 0.04 -1.88 118.16 123.32 2r6a n LYS 592 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2r6a n LYS 592 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2r6a n LYS 592 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2r6a n LEU 594 N 1.68 0.00 -0.60 -0.35 4.77 -1.26 -5.23 117.00 116.01 2r6a n LEU 594 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2r6a n LEU 594 Cb 0.01 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2r6a n LEU 594 CO 0.00 0.00 0.49 -1.54 -1.33 0.00 0.00 177.39 175.01