#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8s h ALA 453 N 0.00 -0.10 -0.45 3.04 0.00 -2.09 -3.47 119.26 116.20 1z8s h ALA 453 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1z8s h ALA 453 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1z8s h ALA 453 CO 0.00 0.57 0.00 1.17 0.00 0.00 0.00 179.25 180.99 1z8s n LYS 454 N -3.91 0.00 -3.30 0.00 4.81 -1.26 -4.64 118.16 109.86 1z8s n LYS 454 Ca -0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.16 1z8s n LYS 454 Cb 0.97 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.97 1z8s n LYS 454 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1z8s n LYS 455 N 0.00 0.36 -4.15 1.64 4.76 -1.26 -5.18 118.16 114.33 1z8s n LYS 455 Ca 0.00 -1.93 -0.12 0.00 -2.87 0.00 0.00 58.31 53.39 1z8s n LYS 455 Cb 0.00 1.44 -0.11 0.00 -1.84 0.00 0.00 35.03 34.53 1z8s n LYS 455 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1z8s s LEU 456 N 0.00 2.43 0.28 -0.35 1.43 -1.26 -5.14 118.68 116.07 1z8s s LEU 456 Ca 0.20 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1z8s s LEU 456 Cb 0.01 -0.15 -0.10 0.00 0.03 0.00 0.00 46.19 45.98 1z8s s LEU 456 CO 0.14 -0.35 1.10 -0.22 0.23 0.00 0.00 176.35 177.25 1z8s s LEU 457 N -2.56 4.54 0.64 1.79 2.96 -1.26 -4.91 118.68 119.88 1z8s s LEU 457 Ca 0.05 2.26 0.31 0.00 -0.22 0.00 0.00 54.13 56.54 1z8s s LEU 457 Cb -0.00 -3.65 1.71 0.00 0.50 0.00 0.00 46.19 44.75 1z8s s LEU 457 CO -0.02 -0.16 2.01 -0.65 -1.32 0.00 0.00 176.35 176.21 1z8s h PRO 458 N 3.76 0.00 -3.94 0.98 0.11 -2.06 -3.41 132.00 127.44 1z8s h PRO 458 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1z8s h PRO 458 Cb 1.21 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.10 1z8s h PRO 458 CO 0.67 0.00 -0.70 0.00 -0.21 0.00 0.00 178.00 177.76 1z8s s ALA 459 N -4.29 0.10 -0.76 -0.75 0.00 -1.26 -5.05 121.76 109.74 1z8s s ALA 459 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1z8s s ALA 459 Cb 0.12 0.13 0.38 0.00 0.00 0.00 0.00 23.12 23.74 1z8s s ALA 459 CO 0.39 -0.14 1.91 1.19 0.00 0.00 0.00 175.76 179.11 1z8s n PHE 460 N 1.83 3.07 0.20 0.00 3.72 -1.26 -4.74 117.46 120.27 1z8s n PHE 460 Ca -0.22 -2.53 0.18 0.00 -0.05 0.00 0.00 57.45 54.83 1z8s n PHE 460 Cb 0.56 -1.09 0.78 0.00 -0.94 0.00 0.00 39.48 38.78 1z8s n PHE 460 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1z8s h GLN 461 N 2.76 0.00 -0.13 -1.08 -0.00 -1.97 -1.23 115.11 113.47 1z8s h GLN 461 Ca 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 59.16 1z8s h GLN 461 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 1z8s h GLN 461 CO 1.38 0.00 -0.03 -0.97 0.00 0.00 0.00 178.83 179.21 1z8s h ASN 462 N 0.00 0.25 -0.33 -0.69 -0.73 -2.01 -2.19 115.58 109.89 1z8s h ASN 462 Ca 0.11 -0.37 -0.12 0.00 1.87 0.00 0.00 56.30 57.79 1z8s h ASN 462 Cb 0.88 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 1z8s h ASN 462 CO -0.00 0.56 -0.23 0.00 -0.37 0.00 0.00 177.43 177.39 1z8s h ALA 463 N 0.70 0.83 -0.20 1.57 0.00 -1.55 -2.75 119.26 117.86 1z8s h ALA 463 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1z8s h ALA 463 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1z8s h ALA 463 CO 0.01 0.64 -0.06 0.93 0.00 0.00 0.00 179.25 180.78 1z8s h GLU 464 N 0.71 -0.01 -0.46 0.00 5.08 -1.39 0.82 114.58 119.32 1z8s h GLU 464 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1z8s h GLU 464 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1z8s h GLU 464 CO 0.06 -0.01 0.28 0.07 -1.00 0.00 0.00 179.01 178.42 1z8s h ARG 465 N -0.01 0.63 -0.33 2.33 0.11 -1.30 0.35 114.38 116.15 1z8s h ARG 465 Ca 0.10 -0.05 -0.14 0.00 0.10 0.00 0.00 59.98 59.98 1z8s h ARG 465 Cb 0.16 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 1z8s h ARG 465 CO -0.21 0.45 -0.35 -0.07 0.10 0.00 0.00 179.97 179.89 1z8s h LEU 466 N 0.62 0.80 -1.22 0.08 3.38 -1.17 -2.35 115.31 115.44 1z8s h LEU 466 Ca 0.17 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1z8s h LEU 466 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1z8s h LEU 466 CO -0.03 1.07 0.53 0.25 0.09 0.00 0.00 178.44 180.36 1z8s h LEU 467 N 0.63 0.89 -0.55 1.67 7.12 0.11 -0.95 115.31 124.23 1z8s h LEU 467 Ca 0.06 -0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.07 1z8s h LEU 467 Cb 0.90 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.78 1z8s h LEU 467 CO 0.08 0.62 0.35 -0.07 -0.13 0.00 0.00 178.44 179.29 1z8s h LEU 468 N 1.04 0.59 -1.50 2.25 3.38 0.20 -1.49 115.31 119.77 1z8s h LEU 468 Ca 0.31 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1z8s h LEU 468 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1z8s h LEU 468 CO -0.08 0.42 0.41 0.00 0.09 0.00 0.00 178.44 179.27 1z8s h ALA 469 N 1.22 1.79 0.71 1.53 0.00 -0.78 0.11 119.26 123.85 1z8s h ALA 469 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1z8s h ALA 469 Cb -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1z8s h ALA 469 CO -0.07 0.11 -0.34 1.25 0.00 0.00 0.00 179.25 180.20 1z8s h HIS 470 N 0.61 -0.88 -0.17 0.00 -0.00 -0.74 -3.04 115.15 110.94 1z8s h HIS 470 Ca 0.26 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1z8s h HIS 470 Cb 0.26 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1z8s h HIS 470 CO -0.00 -0.53 -0.22 1.98 -0.00 0.00 0.00 177.93 179.17 1z8s h MET 471 N -1.07 0.29 0.00 5.26 1.85 -1.28 -2.03 114.93 117.95 1z8s h MET 471 Ca -0.10 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 58.90 1z8s h MET 471 Cb 0.76 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.76 1z8s h MET 471 CO 0.16 0.50 0.15 -1.33 -0.40 0.00 0.00 176.91 175.99 1z8s n MET 472 N -4.18 0.02 -0.05 0.39 2.81 0.37 -3.04 117.12 113.44 1z8s n MET 472 Ca -0.01 0.41 -0.05 0.00 -1.81 0.00 0.00 57.70 56.24 1z8s n MET 472 Cb 0.34 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 1z8s n MET 472 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1z8s n ARG 473 N -1.50 0.28 -4.30 0.03 3.00 -0.77 -3.63 116.66 109.77 1z8s n ARG 473 Ca -0.00 0.11 -0.29 0.00 -0.00 0.00 0.00 57.85 57.67 1z8s n ARG 473 Cb 0.15 -0.98 -0.11 0.00 0.00 0.00 0.00 32.46 31.52 1z8s n ARG 473 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1z8s s SER 474 N -5.18 3.91 0.03 6.15 0.01 -1.17 -4.18 113.70 113.27 1z8s s SER 474 Ca -0.16 -0.57 -0.27 0.00 1.31 0.00 0.00 55.95 56.26 1z8s s SER 474 Cb 0.02 -0.55 -0.17 0.00 0.21 0.00 0.00 66.02 65.53 1z8s s SER 474 CO 0.23 0.17 1.37 0.08 0.41 0.00 0.00 173.24 175.50 1z8s h ARG 475 N 3.64 -0.54 -0.13 12.44 -0.00 -1.81 -1.95 114.38 126.03 1z8s h ARG 475 Ca -0.49 0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 59.48 1z8s h ARG 475 Cb 1.17 0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 31.26 1z8s h ARG 475 CO 0.47 -0.26 -0.12 0.22 -0.00 0.00 0.00 179.97 180.28 1z8s h ASP 476 N -0.78 0.19 -0.62 0.08 3.58 -1.95 -0.74 116.42 116.17 1z8s h ASP 476 Ca -0.06 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1z8s h ASP 476 Cb 0.54 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1z8s h ASP 476 CO 0.09 0.34 0.35 0.58 -2.88 0.00 0.00 179.24 177.72 1z8s h VAL 477 N 0.19 1.19 -0.12 2.25 2.07 -1.88 0.88 116.25 120.84 1z8s h VAL 477 Ca 0.04 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1z8s h VAL 477 Cb 0.34 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1z8s h VAL 477 CO 0.02 0.22 -0.33 0.00 0.02 0.00 0.00 177.57 177.49 1z8s h ALA 478 N 1.50 1.22 -0.64 1.67 0.00 -0.34 0.39 119.26 123.05 1z8s h ALA 478 Ca 0.23 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1z8s h ALA 478 Cb 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1z8s h ALA 478 CO -0.04 0.52 0.44 1.37 0.00 0.00 0.00 179.25 181.55 1z8s h LEU 479 N 0.20 0.21 -0.30 0.00 8.10 -0.33 0.98 115.31 124.17 1z8s h LEU 479 Ca 0.03 0.01 -0.20 0.00 0.11 0.00 0.00 57.88 57.83 1z8s h LEU 479 Cb 0.69 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 1z8s h LEU 479 CO 0.05 0.11 -0.71 0.58 -4.11 0.00 0.00 178.44 174.37 1z8s h VAL 480 N 0.23 1.31 0.11 0.15 2.07 -0.58 -1.10 116.25 118.44 1z8s h VAL 480 Ca 0.31 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 1z8s h VAL 480 Cb 0.89 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1z8s h VAL 480 CO -0.06 0.62 -0.05 -0.37 0.02 0.00 0.00 177.57 177.72 1z8s h VAL 481 N 0.46 1.11 -0.23 2.57 -1.51 0.14 -1.75 116.25 117.04 1z8s h VAL 481 Ca -0.03 -1.05 -0.04 0.00 -1.23 0.00 0.00 66.70 64.35 1z8s h VAL 481 Cb 1.30 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 1z8s h VAL 481 CO 0.14 0.24 -0.02 0.06 -1.23 0.00 0.00 177.57 176.76 1z8s h GLN 482 N -0.65 0.42 0.08 5.19 3.07 0.37 -2.94 115.11 120.65 1z8s h GLN 482 Ca -0.01 -0.14 -0.12 0.00 0.09 0.00 0.00 58.65 58.46 1z8s h GLN 482 Cb 0.51 -0.03 0.01 0.00 0.08 0.00 0.00 27.48 28.05 1z8s h GLN 482 CO 0.02 0.62 -0.53 0.93 0.09 0.00 0.00 178.83 179.97 1z8s h GLU 483 N 0.17 0.22 -0.19 0.06 5.08 -1.32 0.17 114.58 118.77 1z8s h GLU 483 Ca 0.06 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1z8s h GLU 483 Cb 0.44 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1z8s h GLU 483 CO 0.02 1.13 -0.21 0.00 -1.00 0.00 0.00 179.01 178.95 1z8s h ARG 484 N -0.51 0.33 0.00 2.33 3.08 -1.44 -3.34 114.38 114.82 1z8s h ARG 484 Ca -0.09 -0.10 -0.22 0.00 0.07 0.00 0.00 59.98 59.64 1z8s h ARG 484 Cb 1.38 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1z8s h ARG 484 CO 0.10 0.52 -1.83 0.44 -1.07 0.00 0.00 179.97 178.13 1z8s n ILE 485 N -4.18 0.84 -1.88 2.04 -5.35 -1.11 -4.67 119.36 105.04 1z8s n ILE 485 Ca -0.00 -0.35 -0.02 0.00 -0.27 0.00 0.00 62.75 62.11 1z8s n ILE 485 Cb 0.34 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 1z8s n ILE 485 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1z8s n GLY 486 N 2.72 -1.29 3.64 3.28 0.00 0.59 -4.56 105.19 109.57 1z8s n GLY 486 Ca -0.25 0.22 -0.52 0.00 0.00 0.00 0.00 46.02 45.48 1z8s n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z8s n GLY 487 N -0.33 1.06 2.65 -0.02 0.00 -1.25 -4.76 105.19 102.53 1z8s n GLY 487 Ca 0.03 0.90 -0.03 0.00 0.00 0.00 0.00 46.02 46.92 1z8s n GLY 487 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1z8s n ARG 488 N 6.64 0.09 -1.14 1.61 0.63 -1.26 -5.02 116.66 118.20 1z8s n ARG 488 Ca 0.28 -0.61 -0.02 0.00 -0.92 0.00 0.00 57.85 56.58 1z8s n ARG 488 Cb 0.23 -0.03 0.01 0.00 0.45 0.00 0.00 32.46 33.12 1z8s n ARG 488 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1z8s n PHE 489 N -0.17 -3.01 0.06 -0.14 3.01 -1.26 -5.03 117.46 110.91 1z8s n PHE 489 Ca -0.22 -0.23 -0.05 0.00 1.01 0.00 0.00 57.45 57.96 1z8s n PHE 489 Cb 0.68 -0.07 -0.10 0.00 -0.01 0.00 0.00 39.48 39.98 1z8s n PHE 489 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1z8s h ASN 490 N -0.01 0.00 -2.54 4.37 2.35 -2.02 -3.45 115.58 114.28 1z8s h ASN 490 Ca -0.03 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.18 1z8s h ASN 490 Cb 0.14 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.52 1z8s h ASN 490 CO 0.04 0.90 1.12 -0.63 -1.65 0.00 0.00 177.43 177.21 1z8s s ILE 491 N -2.74 3.24 0.04 2.81 1.01 -1.26 -4.91 121.20 119.39 1z8s s ILE 491 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 1z8s s ILE 491 Cb 0.09 -3.26 -0.15 0.00 0.01 0.00 0.00 42.46 39.15 1z8s s ILE 491 CO 0.81 -0.03 1.43 -0.33 0.00 0.00 0.00 174.94 176.82 1z8s h GLU 492 N 9.61 0.18 0.13 2.79 5.08 -1.98 -2.39 114.58 128.00 1z8s h GLU 492 Ca -0.44 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1z8s h GLU 492 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1z8s h GLU 492 CO 0.94 0.48 -0.06 1.05 -1.00 0.00 0.00 179.01 180.42 1z8s h GLU 493 N -0.13 -0.17 -0.31 2.33 4.11 -1.97 -1.31 114.58 117.12 1z8s h GLU 493 Ca 0.03 0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.54 1z8s h GLU 493 Cb 0.41 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1z8s h GLU 493 CO 0.01 0.26 -0.28 0.45 0.07 0.00 0.00 179.01 179.52 1z8s h HIS 494 N -0.70 -0.77 -0.41 2.06 3.86 -1.98 0.94 115.15 118.15 1z8s h HIS 494 Ca -0.02 0.05 0.10 0.00 -1.16 0.00 0.00 60.37 59.34 1z8s h HIS 494 Cb 0.51 0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1z8s h HIS 494 CO 0.08 -0.35 0.29 -0.09 0.86 0.00 0.00 177.93 178.71 1z8s h ARG 495 N -0.26 0.11 0.00 2.45 2.43 -1.49 0.60 114.38 118.22 1z8s h ARG 495 Ca 0.15 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1z8s h ARG 495 Cb 0.50 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1z8s h ARG 495 CO -0.46 0.07 -0.33 0.00 -1.51 0.00 0.00 179.97 177.75 1z8s h ALA 496 N 1.79 1.13 0.40 2.80 0.00 0.20 -0.98 119.26 124.60 1z8s h ALA 496 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1z8s h ALA 496 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1z8s h ALA 496 CO -0.02 0.41 -0.19 1.25 0.00 0.00 0.00 179.25 180.70 1z8s h LEU 497 N 0.00 -0.45 -1.48 0.00 7.12 0.32 1.31 115.31 122.14 1z8s h LEU 497 Ca -0.00 -0.11 0.14 0.00 0.13 0.00 0.00 57.88 58.04 1z8s h LEU 497 Cb 0.74 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.93 1z8s h LEU 497 CO 0.04 -0.12 0.52 0.00 -0.13 0.00 0.00 178.44 178.75 1z8s h ALA 498 N -0.34 2.00 -0.16 1.25 0.00 -1.37 -0.83 119.26 119.81 1z8s h ALA 498 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1z8s h ALA 498 Cb 0.53 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1z8s h ALA 498 CO 0.09 -0.20 -0.66 0.00 0.00 0.00 0.00 179.25 178.48 1z8s h ALA 499 N 1.63 0.29 -0.14 0.00 0.00 -0.66 -2.92 119.26 117.47 1z8s h ALA 499 Ca 0.39 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1z8s h ALA 499 Cb 0.76 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1z8s h ALA 499 CO -0.14 0.58 -0.38 1.88 0.00 0.00 0.00 179.25 181.20 1z8s h TYR 500 N 0.43 -1.06 0.00 0.00 0.05 0.32 0.24 116.97 116.95 1z8s h TYR 500 Ca -0.04 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1z8s h TYR 500 Cb 1.29 0.49 -0.00 0.00 1.01 0.00 0.00 36.73 39.51 1z8s h TYR 500 CO 0.09 -0.44 -0.02 -0.84 -1.05 0.00 0.00 178.16 175.90 1z8s h ILE 501 N -0.45 0.85 -0.71 -2.88 -0.00 -1.59 -1.73 117.51 110.99 1z8s h ILE 501 Ca 0.09 -0.09 0.09 0.00 -0.00 0.00 0.00 64.86 64.95 1z8s h ILE 501 Cb 0.59 1.05 -0.07 0.00 -0.00 0.00 0.00 36.82 38.39 1z8s h ILE 501 CO -0.38 0.02 0.35 0.22 -0.00 0.00 0.00 178.15 178.36 1z8s h TYR 502 N 0.00 0.63 -0.12 0.16 5.03 -0.32 0.34 116.97 122.69 1z8s h TYR 502 Ca -0.00 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 1z8s h TYR 502 Cb 0.05 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 1z8s h TYR 502 CO 0.00 0.23 -0.20 0.00 -1.32 0.00 0.00 178.16 176.86 1z8s h ALA 503 N 1.43 0.19 -0.07 1.82 0.00 -0.91 -2.60 119.26 119.12 1z8s h ALA 503 Ca 0.35 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1z8s h ALA 503 Cb 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1z8s h ALA 503 CO -0.27 0.13 -0.19 0.74 0.00 0.00 0.00 179.25 179.66 1z8s h PHE 504 N -0.05 -0.51 0.00 0.00 -1.00 -1.02 -0.36 116.94 114.00 1z8s h PHE 504 Ca 0.01 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1z8s h PHE 504 Cb 0.78 0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.57 1z8s h PHE 504 CO 0.10 -0.27 -0.00 1.88 -1.61 0.00 0.00 178.31 178.41 1z8s h TYR 505 N -0.27 0.00 -0.01 -0.55 0.05 -0.36 1.41 116.97 117.24 1z8s h TYR 505 Ca 0.08 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 1z8s h TYR 505 Cb 0.39 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1z8s h TYR 505 CO -0.27 0.00 -0.24 0.93 -1.05 0.00 0.00 178.16 177.53 1z8s h GLU 506 N 0.00 0.01 0.00 4.88 5.08 -0.67 -3.42 114.58 120.46 1z8s h GLU 506 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z8s h GLU 506 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1z8s h GLU 506 CO 0.00 0.25 0.00 0.39 -1.00 0.00 0.00 179.01 178.65 1z8s n GLU 507 N -4.25 0.00 -2.75 2.33 -0.58 0.86 -5.01 120.64 111.24 1z8s n GLU 507 Ca -0.02 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1z8s n GLU 507 Cb 0.30 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.13 1z8s n GLU 507 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1z8s s GLY 508 N -1.55 1.19 -0.46 0.62 0.00 0.45 -4.92 107.32 102.65 1z8s s GLY 508 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 1z8s s GLY 508 CO 0.00 2.28 1.47 1.42 0.00 0.00 0.00 173.10 178.27 1z8s n HIS 509 N 8.32 0.38 0.00 1.90 8.25 -1.06 -3.42 115.22 129.58 1z8s n HIS 509 Ca -0.01 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1z8s n HIS 509 Cb 0.47 -1.40 0.00 0.00 1.12 0.00 0.00 29.99 30.18 1z8s n HIS 509 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1z8s n GLU 510 N 6.09 0.00 0.00 -0.41 2.13 -1.26 -4.59 120.64 122.60 1z8s n GLU 510 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1z8s n GLU 510 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1z8s n GLU 510 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1z8s n ALA 511 N 0.00 0.00 -3.44 4.31 0.00 -1.26 -4.81 120.51 115.31 1z8s n ALA 511 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1z8s n ALA 511 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1z8s n ALA 511 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1z8s s ASP 512 N -0.29 6.79 0.39 0.00 2.15 -1.26 -4.70 116.67 119.74 1z8s s ASP 512 Ca 0.00 -3.46 0.06 0.00 0.43 0.00 0.00 52.55 49.58 1z8s s ASP 512 Cb 0.00 -2.11 0.78 0.00 -0.30 0.00 0.00 42.92 41.29 1z8s s ASP 512 CO 0.00 -0.31 2.04 1.55 -0.17 0.00 0.00 175.17 178.28 1z8s h PRO 513 N 6.68 0.62 -0.24 4.34 0.13 -1.90 -2.31 132.00 139.32 1z8s h PRO 513 Ca 0.15 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.31 1z8s h PRO 513 Cb 0.89 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1z8s h PRO 513 CO 0.92 0.42 0.22 0.78 -0.23 0.00 0.00 178.00 180.11 1z8s h GLY 514 N 0.66 0.00 0.00 1.56 0.00 -1.90 0.88 103.07 104.27 1z8s h GLY 514 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1z8s h GLY 514 CO -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.47 1z8s h ALA 515 N 1.78 0.01 0.00 3.60 0.00 -1.84 -3.35 119.26 119.46 1z8s h ALA 515 Ca 0.11 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1z8s h ALA 515 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1z8s h ALA 515 CO -0.00 0.02 -0.87 1.37 0.00 0.00 0.00 179.25 179.78 1z8s h LEU 516 N -1.00 0.21 -2.02 0.00 8.10 -1.51 -3.21 115.31 115.88 1z8s h LEU 516 Ca -0.01 -0.17 0.12 0.00 0.11 0.00 0.00 57.88 57.93 1z8s h LEU 516 Cb 0.49 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.63 1z8s h LEU 516 CO -0.00 0.98 0.31 0.40 -4.11 0.00 0.00 178.44 176.01 1z8s h ILE 517 N 0.09 0.75 -0.63 0.15 1.08 0.61 -1.26 117.51 118.30 1z8s h ILE 517 Ca -0.04 0.00 -0.41 0.00 -0.39 0.00 0.00 64.86 64.02 1z8s h ILE 517 Cb 1.50 0.78 -0.17 0.00 -3.07 0.00 0.00 36.82 35.85 1z8s h ILE 517 CO 0.13 0.00 0.51 -0.24 -0.69 0.00 0.00 178.15 177.86 1z8s n SER 518 N -4.34 6.73 0.00 1.72 2.88 -1.21 -3.84 113.62 115.56 1z8s n SER 518 Ca 0.07 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 1z8s n SER 518 Cb 0.51 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1z8s n SER 518 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1z8s n ARG 519 N 0.12 -0.07 -2.17 -1.46 1.74 -0.48 -5.08 116.66 109.26 1z8s n ARG 519 Ca 0.38 -0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 1z8s n ARG 519 Cb 0.59 -0.73 0.01 0.00 -1.02 0.00 0.00 32.46 31.31 1z8s n ARG 519 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1z8s s ILE 520 N -0.10 3.03 0.09 0.55 -1.09 -1.25 -4.98 121.20 117.45 1z8s s ILE 520 Ca 0.00 0.63 -0.17 0.00 -2.23 0.00 0.00 60.65 58.88 1z8s s ILE 520 Cb 0.00 -3.25 -0.07 0.00 -1.58 0.00 0.00 42.46 37.56 1z8s s ILE 520 CO 0.00 -0.14 1.50 -0.65 -1.23 0.00 0.00 174.94 174.41 1z8s h PRO 521 N 1.07 0.53 0.00 2.79 0.11 -1.95 -3.45 132.00 131.10 1z8s h PRO 521 Ca -0.50 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.42 1z8s h PRO 521 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1z8s h PRO 521 CO 0.56 0.72 0.00 0.41 -0.21 0.00 0.00 178.00 179.49 1z8s n GLY 522 N -0.21 -0.04 0.13 -0.55 0.00 -1.26 -4.98 105.19 98.28 1z8s n GLY 522 Ca -0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1z8s n GLY 522 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1z8s h GLU 523 N 0.00 0.35 -0.00 1.61 4.22 -2.02 -3.28 114.58 115.46 1z8s h GLU 523 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.85 1z8s h GLU 523 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1z8s h GLU 523 CO 0.00 1.28 -0.00 -0.11 -2.18 0.00 0.00 179.01 178.00 1z8s n LEU 524 N -3.91 0.23 0.19 1.64 7.94 -1.26 -2.57 117.00 119.26 1z8s n LEU 524 Ca -0.19 -0.07 -0.08 0.00 -1.11 0.00 0.00 56.01 54.56 1z8s n LEU 524 Cb 0.94 -0.01 -0.04 0.00 0.53 0.00 0.00 43.42 44.84 1z8s n LEU 524 CO 0.49 0.04 0.29 1.56 -1.11 0.00 0.00 177.39 178.67 1z8s h GLN 525 N 0.35 -0.51 -0.40 1.96 1.08 -1.86 0.99 115.11 116.72 1z8s h GLN 525 Ca 0.00 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1z8s h GLN 525 Cb 0.09 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1z8s h GLN 525 CO 0.00 -0.34 0.02 -1.35 -0.95 0.00 0.00 178.83 176.21 1z8s h PRO 526 N -0.83 0.62 0.46 1.46 0.11 -1.70 -1.75 132.00 130.36 1z8s h PRO 526 Ca -0.05 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 1z8s h PRO 526 Cb 0.41 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1z8s h PRO 526 CO 0.09 0.63 -0.22 1.25 -0.21 0.00 0.00 178.00 179.53 1z8s h LEU 527 N 0.59 -0.52 -0.37 2.35 5.85 -1.51 -2.57 115.31 119.12 1z8s h LEU 527 Ca 0.13 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1z8s h LEU 527 Cb 0.34 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1z8s h LEU 527 CO 0.01 -0.20 0.12 0.00 -0.34 0.00 0.00 178.44 178.03 1z8s h ALA 528 N -0.47 0.43 -0.47 1.25 0.00 0.11 0.84 119.26 120.95 1z8s h ALA 528 Ca -0.06 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1z8s h ALA 528 Cb 0.57 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1z8s h ALA 528 CO 0.10 -0.28 0.12 0.77 0.00 0.00 0.00 179.25 179.96 1z8s h SER 529 N 0.26 0.05 0.62 0.00 0.02 -1.36 0.63 113.55 113.77 1z8s h SER 529 Ca 0.17 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1z8s h SER 529 Cb 0.16 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1z8s h SER 529 CO -0.19 0.06 -0.62 -0.33 -1.14 0.00 0.00 176.83 174.61 1z8s h GLU 530 N 0.26 0.00 0.00 3.45 4.39 -1.01 -2.89 114.58 118.78 1z8s h GLU 530 Ca 0.23 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1z8s h GLU 530 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1z8s h GLU 530 CO -0.28 0.62 0.00 -0.07 -1.16 0.00 0.00 179.01 178.11 1z8s h LEU 531 N 0.00 0.00 -1.86 1.33 4.07 0.28 -3.26 115.31 115.87 1z8s h LEU 531 Ca -0.01 0.00 0.34 0.00 0.08 0.00 0.00 57.88 58.29 1z8s h LEU 531 Cb 1.09 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1z8s h LEU 531 CO 0.08 0.00 0.94 0.28 -1.08 0.00 0.00 178.44 178.66 1z8s h SER 532 N 0.00 0.00 -0.57 -0.43 0.02 0.38 -2.46 113.55 110.48 1z8s h SER 532 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1z8s h SER 532 Cb 0.64 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.93 1z8s h SER 532 CO 0.00 0.00 -0.72 -0.11 -1.14 0.00 0.00 176.83 174.86 1z8s n LEU 533 N -3.93 -0.76 0.20 5.07 0.00 -1.23 -4.78 117.00 111.57 1z8s n LEU 533 Ca 0.25 -3.84 0.08 0.00 0.00 0.00 0.00 56.01 52.51 1z8s n LEU 533 Cb 1.32 0.46 0.33 0.00 0.00 0.00 0.00 43.42 45.53 1z8s n LEU 533 CO 0.37 1.93 0.72 0.25 0.00 0.00 0.00 177.39 180.66 1z8s h LEU 534 N 2.65 0.00 -4.88 -1.96 5.85 -1.48 -3.40 115.31 112.08 1z8s h LEU 534 Ca -0.13 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1z8s h LEU 534 Cb 1.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1z8s h LEU 534 CO 0.21 0.27 0.24 0.00 -0.34 0.00 0.00 178.44 178.82 1z8s n LEU 535 N -3.31 -0.99 -3.72 2.25 -0.00 -1.26 -5.09 117.00 104.87 1z8s n LEU 535 Ca 0.01 -1.58 -0.13 0.00 -0.00 0.00 0.00 56.01 54.31 1z8s n LEU 535 Cb 0.51 0.94 -0.13 0.00 -0.00 0.00 0.00 43.42 44.75 1z8s n LEU 535 CO 0.35 1.05 -0.14 0.27 -0.00 0.00 0.00 177.39 178.93 1z8s s ILE 536 N 0.01 -0.08 -0.29 1.47 -0.00 -1.26 -4.05 121.20 117.00 1z8s s ILE 536 Ca 0.01 0.17 0.04 0.00 -0.00 0.00 0.00 60.65 60.87 1z8s s ILE 536 Cb 0.02 -0.37 0.18 0.00 -0.00 0.00 0.00 42.46 42.30 1z8s s ILE 536 CO -0.01 0.07 0.52 0.00 -0.00 0.00 0.00 174.94 175.53 1z8s s ALA 537 N 1.38 -1.95 0.00 2.27 0.00 -1.26 -4.78 121.76 117.42 1z8s s ALA 537 Ca -0.08 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1z8s s ALA 537 Cb -0.11 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1z8s s ALA 537 CO -0.08 -1.72 0.00 -0.25 0.00 0.00 0.00 175.76 173.71 1z8s n ASP 538 N 5.40 0.00 -1.09 0.00 8.00 -1.26 -3.42 116.55 124.18 1z8s n ASP 538 Ca 0.03 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.64 1z8s n ASP 538 Cb 0.52 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.81 1z8s n ASP 538 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1z8s n ASP 539 N 1.29 3.34 -2.13 -2.24 9.92 -1.26 -4.95 116.55 120.52 1z8s n ASP 539 Ca 0.00 -1.97 -0.04 0.00 -0.53 0.00 0.00 54.79 52.24 1z8s n ASP 539 Cb 0.00 -0.21 -0.01 0.00 -0.64 0.00 0.00 41.12 40.26 1z8s n ASP 539 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1z8s n VAL 540 N 1.41 -0.16 -2.92 2.53 3.14 -1.22 -2.78 118.33 118.33 1z8s n VAL 540 Ca 0.18 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.52 1z8s n VAL 540 Cb 0.59 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 1z8s n VAL 540 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1z8s n SER 541 N -1.06 -7.47 -0.10 6.55 2.88 -1.26 -3.90 113.62 109.26 1z8s n SER 541 Ca -0.05 0.94 -0.07 0.00 -1.33 0.00 0.00 58.87 58.36 1z8s n SER 541 Cb 0.44 -4.08 -0.01 0.00 -0.75 0.00 0.00 64.21 59.81 1z8s n SER 541 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1z8s h GLU 542 N 3.01 -0.20 -0.81 -1.46 4.81 -1.90 0.90 114.58 118.94 1z8s h GLU 542 Ca -0.04 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.35 1z8s h GLU 542 Cb 0.49 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1z8s h GLU 542 CO 0.09 -0.13 0.40 1.96 -0.73 0.00 0.00 179.01 180.60 1z8s h GLN 543 N -0.21 0.57 -0.23 1.92 1.08 -1.92 0.54 115.11 116.87 1z8s h GLN 543 Ca 0.17 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.16 1z8s h GLN 543 Cb 0.49 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1z8s h GLN 543 CO -0.48 0.38 -0.58 0.93 -0.95 0.00 0.00 178.83 178.12 1z8s h GLU 544 N 0.59 0.73 -0.15 1.46 4.39 -1.42 -2.35 114.58 117.82 1z8s h GLU 544 Ca 0.44 -0.48 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1z8s h GLU 544 Cb 0.61 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 1z8s h GLU 544 CO -0.36 1.10 -0.14 1.25 -1.16 0.00 0.00 179.01 179.71 1z8s h LEU 545 N 0.55 -0.43 -0.87 1.33 5.85 0.29 -1.49 115.31 120.54 1z8s h LEU 545 Ca 0.00 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1z8s h LEU 545 Cb 1.17 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1z8s h LEU 545 CO 0.12 -0.18 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.39 1z8s h GLU 546 N -0.16 0.00 0.34 1.25 4.39 -1.28 -2.70 114.58 116.42 1z8s h GLU 546 Ca 0.10 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1z8s h GLU 546 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1z8s h GLU 546 CO -0.24 0.32 -0.16 0.22 -1.16 0.00 0.00 179.01 177.98 1z8s h ASP 547 N 0.00 -0.38 0.08 1.42 3.58 -0.74 -2.69 116.42 117.69 1z8s h ASP 547 Ca -0.00 -0.16 -0.28 0.00 0.42 0.00 0.00 57.03 57.00 1z8s h ASP 547 Cb 0.90 0.10 0.03 0.00 1.72 0.00 0.00 39.33 42.07 1z8s h ASP 547 CO 0.04 -0.01 -1.16 0.10 -2.88 0.00 0.00 179.24 175.33 1z8s h TYR 548 N -0.81 1.01 -0.65 0.28 -0.00 -1.41 -2.27 116.97 113.12 1z8s h TYR 548 Ca -0.05 -0.61 0.09 0.00 0.00 0.00 0.00 58.73 58.16 1z8s h TYR 548 Cb 0.52 -0.09 -0.07 0.00 0.00 0.00 0.00 36.73 37.09 1z8s h TYR 548 CO 0.02 1.45 0.30 0.82 -0.00 0.00 0.00 178.16 180.75 1z8s h ILE 549 N 0.29 0.84 -0.23 -0.90 2.04 -1.60 0.62 117.51 118.56 1z8s h ILE 549 Ca -0.17 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 1z8s h ILE 549 Cb 1.83 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1z8s h ILE 549 CO 0.22 0.09 -0.24 0.03 0.00 0.00 0.00 178.15 178.25 1z8s h ARG 550 N 0.52 0.44 -0.02 2.37 -0.00 -1.52 -2.16 114.38 114.01 1z8s h ARG 550 Ca 0.32 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.98 59.64 1z8s h ARG 550 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.28 1z8s h ARG 550 CO -0.27 0.65 0.01 0.45 0.00 0.00 0.00 179.97 180.82 1z8s h HIS 551 N 0.39 0.02 -0.00 3.04 3.86 -0.33 -2.54 115.15 119.59 1z8s h HIS 551 Ca 0.06 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1z8s h HIS 551 Cb 0.64 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1z8s h HIS 551 CO 0.02 0.09 -0.29 0.28 0.86 0.00 0.00 177.93 178.89 1z8s h VAL 552 N -0.06 1.21 0.37 2.45 2.07 -1.00 -3.10 116.25 118.19 1z8s h VAL 552 Ca 0.01 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1z8s h VAL 552 Cb 0.08 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1z8s h VAL 552 CO -0.00 0.29 -0.33 0.25 0.02 0.00 0.00 177.57 177.80 1z8s h LEU 553 N 0.00 -0.87 0.00 2.57 5.85 -0.98 -3.48 115.31 118.40 1z8s h LEU 553 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1z8s h LEU 553 Cb 0.52 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1z8s h LEU 553 CO 0.04 -0.47 0.00 -3.20 -0.34 0.00 0.00 178.44 174.47 1z8s n ASN 554 N -5.44 0.00 0.19 1.25 2.85 -1.06 -5.05 115.26 108.00 1z8s n ASN 554 Ca -0.10 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.24 1z8s n ASN 554 Cb 0.35 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.29 1z8s n ASN 554 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1z8s h ARG 555 N 0.00 -0.50 0.00 1.20 3.08 -1.86 -3.42 114.38 112.89 1z8s h ARG 555 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1z8s h ARG 555 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1z8s h ARG 555 CO 0.00 -0.18 0.00 -0.35 -1.07 0.00 0.00 179.97 178.37 1z8s n PRO 556 N -5.18 0.00 -1.02 0.04 -0.04 -1.26 -4.95 135.00 122.59 1z8s n PRO 556 Ca -0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1z8s n PRO 556 Cb 0.28 -0.06 -0.04 0.00 -0.04 0.00 0.00 33.50 33.64 1z8s n PRO 556 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1z8s n LYS 557 N -0.48 -1.88 -0.04 0.54 3.00 -1.26 -3.81 118.16 114.22 1z8s n LYS 557 Ca 0.00 1.35 -0.12 0.00 -0.00 0.00 0.00 58.31 59.54 1z8s n LYS 557 Cb 0.00 -2.39 -0.10 0.00 0.00 0.00 0.00 35.03 32.53 1z8s n LYS 557 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1z8s h TRP 558 N -1.10 -0.03 -0.97 5.64 7.01 -1.98 -3.35 115.95 121.17 1z8s h TRP 558 Ca -0.03 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.13 1z8s h TRP 558 Cb 1.22 0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 28.21 1z8s h TRP 558 CO -0.73 0.70 0.61 -0.07 -2.79 0.00 0.00 178.44 176.16 1z8s h LEU 559 N -0.90 0.75 -1.21 0.65 -0.00 -1.97 0.59 115.31 113.22 1z8s h LEU 559 Ca -0.00 0.06 0.12 0.00 -0.00 0.00 0.00 57.88 58.06 1z8s h LEU 559 Cb 0.74 -0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.26 1z8s h LEU 559 CO 0.01 0.33 0.58 -0.03 -0.00 0.00 0.00 178.44 179.33 1z8s h MET 560 N 0.77 0.79 -0.40 1.13 4.05 -1.69 -0.08 114.93 119.49 1z8s h MET 560 Ca 0.52 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.74 1z8s h MET 560 Cb 0.79 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1z8s h MET 560 CO -0.29 0.52 -0.33 1.25 0.23 0.00 0.00 176.91 178.30 1z8s h LEU 561 N 0.81 0.97 -1.12 3.39 7.12 -1.03 -1.54 115.31 123.90 1z8s h LEU 561 Ca 0.44 -0.42 0.03 0.00 0.13 0.00 0.00 57.88 58.07 1z8s h LEU 561 Cb 0.55 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.36 1z8s h LEU 561 CO -0.20 1.20 0.60 0.50 -0.13 0.00 0.00 178.44 180.41 1z8s h LYS 562 N 0.77 1.11 0.14 1.25 3.11 -0.62 0.95 116.57 123.28 1z8s h LYS 562 Ca 0.08 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1z8s h LYS 562 Cb 0.91 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1z8s h LYS 562 CO 0.08 0.74 -0.07 0.28 -2.81 0.00 0.00 179.45 177.68 1z8s h VAL 563 N 1.15 1.03 -0.58 2.00 2.07 -1.14 -2.55 116.25 118.23 1z8s h VAL 563 Ca 0.36 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1z8s h VAL 563 Cb 0.00 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1z8s h VAL 563 CO -0.11 0.19 0.36 0.11 0.02 0.00 0.00 177.57 178.15 1z8s h LYS 564 N -0.60 0.78 -0.34 1.57 1.57 -0.86 -2.19 116.57 116.50 1z8s h LYS 564 Ca -0.02 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1z8s h LYS 564 Cb 0.46 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1z8s h LYS 564 CO 0.03 0.54 0.13 0.93 -0.57 0.00 0.00 179.45 180.51 1z8s h GLU 565 N 0.80 0.28 -0.58 3.15 4.39 0.10 1.15 114.58 123.87 1z8s h GLU 565 Ca 0.21 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1z8s h GLU 565 Cb -0.05 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1z8s h GLU 565 CO -0.04 0.18 0.38 1.96 -1.16 0.00 0.00 179.01 180.33 1z8s h GLN 566 N 0.28 0.74 0.00 2.33 4.20 -0.97 0.93 115.11 122.63 1z8s h GLN 566 Ca 0.15 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 1z8s h GLN 566 Cb 0.11 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1z8s h GLN 566 CO -0.14 0.49 -0.67 0.93 -0.67 0.00 0.00 178.83 178.76 1z8s h GLU 567 N 0.77 0.00 -0.25 1.46 5.08 -1.16 -2.24 114.58 118.23 1z8s h GLU 567 Ca 0.22 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 1z8s h GLU 567 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1z8s h GLU 567 CO -0.06 0.67 -0.51 0.87 -1.00 0.00 0.00 179.01 178.99 1z8s h LYS 568 N 0.00 0.70 0.01 2.33 6.56 0.24 -2.55 116.57 123.86 1z8s h LYS 568 Ca -0.01 -0.42 -0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1z8s h LYS 568 Cb 1.21 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1z8s h LYS 568 CO 0.09 1.04 -0.00 0.00 -2.06 0.00 0.00 179.45 178.51 1z8s h THR 569 N 0.54 1.57 -0.85 -0.16 1.03 0.92 0.47 112.91 116.44 1z8s h THR 569 Ca 0.02 -1.83 0.16 0.00 -0.01 0.00 0.00 66.41 64.75 1z8s h THR 569 Cb 1.08 2.80 -0.10 0.00 -1.07 0.00 0.00 68.15 70.85 1z8s h THR 569 CO 0.11 0.47 0.41 1.05 -0.01 0.00 0.00 175.52 177.54 1z8s h GLU 570 N -0.81 0.53 0.00 0.00 4.11 -1.49 0.32 114.58 117.24 1z8s h GLU 570 Ca -0.00 -0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 1z8s h GLU 570 Cb 0.77 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1z8s h GLU 570 CO 0.00 0.35 -0.89 0.00 0.07 0.00 0.00 179.01 178.54 1z8s h ALA 571 N 1.59 0.46 -0.75 1.06 0.00 -1.50 -2.66 119.26 117.47 1z8s h ALA 571 Ca 0.48 -0.81 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1z8s h ALA 571 Cb 0.75 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1z8s h ALA 571 CO -0.41 1.11 0.41 1.05 0.00 0.00 0.00 179.25 181.41 1z8s h GLU 572 N 0.00 0.68 0.03 0.00 -0.00 0.38 5.34 114.58 121.01 1z8s h GLU 572 Ca -0.01 -0.04 -0.14 0.00 -0.00 0.00 0.00 59.36 59.17 1z8s h GLU 572 Cb 1.64 -0.15 0.01 0.00 -0.00 0.00 0.00 28.75 30.25 1z8s h GLU 572 CO 0.12 0.45 -0.57 0.07 -0.00 0.00 0.00 179.01 179.08 1z8s h ARG 573 N 0.70 0.33 -0.13 1.06 0.11 -1.32 -3.38 114.38 111.75 1z8s h ARG 573 Ca 0.36 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1z8s h ARG 573 Cb 0.32 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1z8s h ARG 573 CO -0.24 1.10 0.00 0.54 0.10 0.00 0.00 179.97 181.47 1z8s n ARG 574 N -4.26 1.44 -1.53 0.08 1.74 -1.00 -5.10 116.66 108.02 1z8s n ARG 574 Ca -0.11 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 1z8s n ARG 574 Cb 0.67 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1z8s n ARG 574 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1z8s n LYS 575 N 0.37 -4.30 0.00 5.56 4.01 1.74 -4.95 118.16 120.59 1z8s n LYS 575 Ca 0.07 3.11 0.00 0.00 -0.51 0.00 0.00 58.31 60.97 1z8s n LYS 575 Cb 0.29 -3.42 0.00 0.00 -0.51 0.00 0.00 35.03 31.39 1z8s n LYS 575 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1z8s n ASP 576 N 0.29 -1.18 -0.12 4.39 2.03 -1.25 -4.80 116.55 115.92 1z8s n ASP 576 Ca 0.00 -0.03 -0.05 0.00 0.52 0.00 0.00 54.79 55.23 1z8s n ASP 576 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1z8s n ASP 576 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1z8s h PHE 577 N -1.57 0.16 0.00 -0.67 3.04 -1.98 -3.35 116.94 112.57 1z8s h PHE 577 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1z8s h PHE 577 Cb 0.00 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1z8s h PHE 577 CO 0.00 0.04 0.00 1.28 -2.02 0.00 0.00 178.31 177.61 1z8s n LEU 578 N -5.07 1.40 -3.83 0.59 4.32 -1.26 -5.09 117.00 108.06 1z8s n LEU 578 Ca 0.02 0.19 -0.06 0.00 -0.02 0.00 0.00 56.01 56.14 1z8s n LEU 578 Cb 0.17 -0.22 0.01 0.00 -1.62 0.00 0.00 43.42 41.75 1z8s n LEU 578 CO 0.24 -0.22 0.63 -0.89 -1.22 0.00 0.00 177.39 175.93 1z8s s THR 579 N -0.45 0.00 -0.43 -5.08 2.01 -1.26 -5.01 115.64 105.43 1z8s s THR 579 Ca 0.00 -0.83 0.19 0.00 0.31 0.00 0.00 61.69 61.36 1z8s s THR 579 Cb 0.00 -2.56 0.19 0.00 0.01 0.00 0.00 72.50 70.14 1z8s s THR 579 CO 0.00 0.00 1.57 0.00 -0.69 0.00 0.00 174.62 175.50 1z8s n ALA 580 N -0.55 1.23 -0.17 7.40 0.00 -1.26 -2.72 120.51 124.43 1z8s n ALA 580 Ca -0.06 0.13 0.28 0.00 0.00 0.00 0.00 53.44 53.80 1z8s n ALA 580 Cb 0.60 -1.29 0.72 0.00 0.00 0.00 0.00 19.45 19.49 1z8s n ALA 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1z8s h ALA 581 N 2.10 2.84 -0.16 0.00 0.00 -1.97 0.41 119.26 122.48 1z8s h ALA 581 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1z8s h ALA 581 Cb 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1z8s h ALA 581 CO 0.00 -1.10 -0.51 0.00 0.00 0.00 0.00 179.25 177.63 1z8s h ARG 582 N 0.00 0.44 -0.34 0.00 2.47 -1.95 -2.38 114.38 112.62 1z8s h ARG 582 Ca 0.42 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1z8s h ARG 582 Cb 1.71 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 30.04 1z8s h ARG 582 CO -0.00 0.85 -0.11 0.82 0.56 0.00 0.00 179.97 182.09 1z8s h ILE 583 N 0.35 1.28 -0.07 2.04 1.08 -0.41 -2.52 117.51 119.25 1z8s h ILE 583 Ca 0.01 -1.18 -0.09 0.00 -0.39 0.00 0.00 64.86 63.21 1z8s h ILE 583 Cb 1.02 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1z8s h ILE 583 CO 0.09 0.39 -0.37 0.00 -0.69 0.00 0.00 178.15 177.57 1z8s h ALA 584 N 0.80 1.26 -0.25 1.87 0.00 -1.41 -2.41 119.26 119.12 1z8s h ALA 584 Ca 0.08 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1z8s h ALA 584 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1z8s h ALA 584 CO 0.04 0.52 -0.43 -0.22 0.00 0.00 0.00 179.25 179.16 1z8s h LYS 585 N 0.12 0.61 0.02 0.00 3.11 -1.29 -1.68 116.57 117.47 1z8s h LYS 585 Ca 0.01 -0.33 -0.22 0.00 -2.81 0.00 0.00 60.65 57.30 1z8s h LYS 585 Cb 0.71 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1z8s h LYS 585 CO 0.05 0.93 -0.97 0.93 -2.81 0.00 0.00 179.45 177.58 1z8s h GLU 586 N 0.50 0.34 -0.02 1.90 3.07 -1.29 -2.49 114.58 116.59 1z8s h GLU 586 Ca 0.04 -0.39 -0.17 0.00 -0.50 0.00 0.00 59.36 58.34 1z8s h GLU 586 Cb 0.95 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1z8s h GLU 586 CO 0.09 1.08 -0.76 1.98 -1.40 0.00 0.00 179.01 180.00 1z8s h MET 587 N 0.18 0.14 -0.09 2.33 4.05 -1.42 0.49 114.93 120.61 1z8s h MET 587 Ca -0.08 -0.13 -0.18 0.00 -0.28 0.00 0.00 59.70 59.03 1z8s h MET 587 Cb 1.61 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1z8s h MET 587 CO 0.16 0.83 -0.72 -0.84 0.23 0.00 0.00 176.91 176.57 1z8s h ILE 588 N 0.09 1.37 0.00 1.77 -0.00 -1.34 -2.19 117.51 117.21 1z8s h ILE 588 Ca -0.02 -2.10 -0.12 0.00 -0.00 0.00 0.00 64.86 62.61 1z8s h ILE 588 Cb 1.33 2.08 -0.02 0.00 -0.00 0.00 0.00 36.82 40.21 1z8s h ILE 588 CO 0.11 0.64 -0.57 1.05 -0.00 0.00 0.00 178.15 179.37 1z8s h GLU 589 N 0.30 0.00 -0.50 0.16 4.11 -1.36 -2.37 114.58 114.92 1z8s h GLU 589 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.50 1z8s h GLU 589 Cb 1.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 1z8s h GLU 589 CO 0.13 0.57 0.02 1.98 0.07 0.00 0.00 179.01 181.78 1z8s h MET 590 N 0.00 0.14 0.00 1.06 4.05 -0.29 0.59 114.93 120.48 1z8s h MET 590 Ca -0.01 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 1z8s h MET 590 Cb 1.06 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.81 1z8s h MET 590 CO 0.07 0.09 -0.63 1.57 0.23 0.00 0.00 176.91 178.24 1z8s h LYS 591 N 0.14 0.00 0.25 0.39 5.09 -1.21 -2.45 116.57 118.79 1z8s h LYS 591 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.98 1z8s h LYS 591 Cb 0.38 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.71 1z8s h LYS 591 CO -0.40 0.63 -0.12 -0.22 -2.09 0.00 0.00 179.45 177.25 1z8s h LYS 592 N 0.00 -0.33 -0.30 0.07 3.11 -0.25 0.87 116.57 119.74 1z8s h LYS 592 Ca -0.01 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 1z8s h LYS 592 Cb 1.15 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.44 1z8s h LYS 592 CO 0.08 -0.02 0.02 0.00 -2.81 0.00 0.00 179.45 176.73 1z8s h MET 593 N -0.65 0.45 0.00 1.90 -0.00 0.01 -2.22 114.93 114.42 1z8s h MET 593 Ca -0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 1z8s h MET 593 Cb 0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 1z8s h MET 593 CO 0.06 0.46 -0.70 1.28 -0.00 0.00 0.00 176.91 178.01 1z8s n LEU 594 N -4.32 0.62 0.00 -0.10 4.77 -0.92 -4.89 117.00 112.15 1z8s n LEU 594 Ca 0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1z8s n LEU 594 Cb 0.21 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1z8s n LEU 594 CO 0.38 0.10 0.00 -1.20 -1.33 0.00 0.00 177.39 175.34 1z8s n SER 595 N -1.67 0.00 -2.30 -1.43 7.64 0.29 -5.02 113.62 111.13 1z8s n SER 595 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.72 1z8s n SER 595 Cb 0.37 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 1z8s n SER 595 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1z8s n SER 596 N -0.65 -5.85 0.00 6.43 2.88 -0.59 -4.88 113.62 110.96 1z8s n SER 596 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1z8s n SER 596 Cb 0.00 -4.88 0.00 0.00 -0.75 0.00 0.00 64.21 58.58 1z8s n SER 596 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61