#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0j n ARG 507 N 0.00 1.10 -1.51 -2.82 1.85 -1.26 -4.84 116.66 109.19 3k0j n ARG 507 Ca 0.00 0.11 -0.40 0.00 -1.00 0.00 0.00 57.85 56.55 3k0j n ARG 507 Cb 0.00 -3.16 -0.12 0.00 -1.05 0.00 0.00 32.46 28.13 3k0j n ARG 507 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3k0j n PRO 508 N 8.86 0.24 -3.27 2.89 -0.02 -1.26 -4.92 135.00 137.52 3k0j n PRO 508 Ca 0.39 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 3k0j n PRO 508 Cb 0.46 -1.93 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3k0j n PRO 508 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k0j s ASN 509 N 9.64 5.14 0.00 2.55 4.22 -1.26 -4.98 114.94 130.24 3k0j s ASN 509 Ca 1.27 -0.81 0.22 0.00 -2.14 0.00 0.00 52.86 51.41 3k0j s ASN 509 Cb -1.03 -0.03 1.16 0.00 1.28 0.00 0.00 41.25 42.63 3k0j s ASN 509 CO 0.44 -1.06 1.76 0.00 -2.04 0.00 0.00 177.10 176.21 3k0j n HIS 510 N -1.96 0.05 -4.71 1.54 1.44 -1.26 -4.62 115.22 105.69 3k0j n HIS 510 Ca 0.09 -0.02 -0.33 0.00 -2.01 0.00 0.00 57.72 55.45 3k0j n HIS 510 Cb 0.61 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.56 3k0j n HIS 510 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3k0j s THR 511 N -1.95 2.11 -0.01 0.61 2.01 -1.26 -0.56 115.64 116.59 3k0j s THR 511 Ca 0.33 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3k0j s THR 511 Cb 0.16 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3k0j s THR 511 CO 0.26 0.55 0.11 0.27 -0.69 0.00 0.00 174.62 175.12 3k0j s ILE 512 N 0.77 4.93 -0.38 1.82 -4.36 -0.45 -2.23 121.20 121.30 3k0j s ILE 512 Ca -0.08 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.99 3k0j s ILE 512 Cb -0.16 -3.27 0.11 0.00 1.25 0.00 0.00 42.46 40.39 3k0j s ILE 512 CO -0.01 0.35 0.13 -0.47 0.24 0.00 0.00 174.94 175.18 3k0j s TYR 513 N -1.23 3.66 0.34 1.37 6.14 0.11 -0.27 117.35 127.47 3k0j s TYR 513 Ca 0.24 -2.78 -0.15 0.00 0.64 0.00 0.00 57.07 55.02 3k0j s TYR 513 Cb -0.12 -3.05 -0.09 0.00 0.42 0.00 0.00 41.96 39.12 3k0j s TYR 513 CO 0.15 -0.95 0.75 0.42 0.64 0.00 0.00 175.55 176.56 3k0j s ILE 514 N 0.91 4.68 0.22 3.14 1.01 -0.23 -2.94 121.20 127.99 3k0j s ILE 514 Ca 0.10 0.93 -0.22 0.00 0.00 0.00 0.00 60.65 61.46 3k0j s ILE 514 Cb -0.21 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.69 3k0j s ILE 514 CO -0.06 -0.23 0.67 0.54 0.00 0.00 0.00 174.94 175.86 3k0j s ASN 515 N -2.37 -0.41 0.00 3.58 2.20 0.47 -0.54 114.94 117.86 3k0j s ASN 515 Ca 0.54 -0.30 0.00 0.00 -0.94 0.00 0.00 52.86 52.16 3k0j s ASN 515 Cb -0.10 0.66 0.00 0.00 -2.00 0.00 0.00 41.25 39.81 3k0j s ASN 515 CO 0.19 -1.15 0.00 -3.20 -2.94 0.00 0.00 177.10 170.00 3k0j n ASN 516 N -0.42 -1.36 -4.74 3.54 2.85 0.11 -2.34 115.26 112.89 3k0j n ASN 516 Ca -0.10 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.95 3k0j n ASN 516 Cb 0.62 -0.23 -0.03 0.00 1.24 0.00 0.00 39.78 41.38 3k0j n ASN 516 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3k0j s LEU 517 N 0.00 4.43 -0.47 1.20 1.43 -0.19 -4.79 118.68 120.29 3k0j s LEU 517 Ca 0.00 2.37 -0.44 0.00 -1.03 0.00 0.00 54.13 55.04 3k0j s LEU 517 Cb 0.00 -3.61 -0.18 0.00 0.03 0.00 0.00 46.19 42.42 3k0j s LEU 517 CO 0.00 -0.46 1.97 -3.20 0.23 0.00 0.00 176.35 174.88 3k0j n ASN 518 N 2.35 1.14 -0.08 2.29 4.05 -1.26 -4.35 115.26 119.40 3k0j n ASN 518 Ca 0.05 0.82 -0.11 0.00 0.45 0.00 0.00 54.58 55.78 3k0j n ASN 518 Cb 0.43 -0.95 -0.04 0.00 1.23 0.00 0.00 39.78 40.45 3k0j n ASN 518 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 3k0j h GLU 519 N 8.11 0.45 -0.55 1.20 4.11 -1.92 -3.29 114.58 122.70 3k0j h GLU 519 Ca -0.24 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.03 3k0j h GLU 519 Cb 1.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3k0j h GLU 519 CO 1.04 0.65 0.00 1.63 0.07 0.00 0.00 179.01 182.40 3k0j n LYS 520 N -4.60 0.14 -4.31 1.06 4.76 -1.26 -4.74 118.16 109.20 3k0j n LYS 520 Ca -0.04 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.09 3k0j n LYS 520 Cb 0.27 -1.15 -0.09 0.00 -1.84 0.00 0.00 35.03 32.21 3k0j n LYS 520 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3k0j s ILE 521 N -0.56 3.74 0.78 -0.18 -1.09 -1.24 -5.09 121.20 117.56 3k0j s ILE 521 Ca 0.00 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.35 3k0j s ILE 521 Cb 0.00 -2.69 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 3k0j s ILE 521 CO 0.00 0.26 0.55 2.29 -1.23 0.00 0.00 174.94 176.82 3k0j n LYS 522 N 1.11 0.18 -0.06 2.79 2.85 -1.26 -4.88 118.16 118.88 3k0j n LYS 522 Ca -0.14 0.11 -0.08 0.00 -1.05 0.00 0.00 58.31 57.15 3k0j n LYS 522 Cb 0.52 -1.88 -0.07 0.00 -0.65 0.00 0.00 35.03 32.95 3k0j n LYS 522 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3k0j h LYS 523 N -0.65 0.00 0.00 -1.58 3.64 -1.98 -2.84 116.57 113.15 3k0j h LYS 523 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3k0j h LYS 523 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3k0j h LYS 523 CO 0.41 0.53 0.00 0.22 -2.27 0.00 0.00 179.45 178.34 3k0j h ASP 524 N -1.00 0.00 0.32 4.20 3.58 -1.95 0.97 116.42 122.54 3k0j h ASP 524 Ca -0.02 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.10 3k0j h ASP 524 Cb 0.57 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.64 3k0j h ASP 524 CO -0.01 0.00 -1.52 -0.33 -2.88 0.00 0.00 179.24 174.50 3k0j h GLU 525 N 0.00 0.44 -0.36 0.28 4.39 -1.95 -2.92 114.58 114.46 3k0j h GLU 525 Ca 0.00 -0.75 -0.03 0.00 0.34 0.00 0.00 59.36 58.92 3k0j h GLU 525 Cb 0.12 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3k0j h GLU 525 CO 0.00 1.35 0.10 1.25 -1.16 0.00 0.00 179.01 180.55 3k0j h LEU 526 N 0.12 0.47 -0.10 1.33 5.85 -0.62 -0.50 115.31 121.86 3k0j h LEU 526 Ca -0.26 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.20 3k0j h LEU 526 Cb 2.11 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 43.04 3k0j h LEU 526 CO 0.23 0.46 -0.72 0.50 -0.34 0.00 0.00 178.44 178.57 3k0j h LYS 527 N 0.51 0.66 -0.60 1.25 3.64 -1.19 -2.29 116.57 118.56 3k0j h LYS 527 Ca 0.12 -0.58 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3k0j h LYS 527 Cb 0.17 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3k0j h LYS 527 CO -0.01 1.19 0.32 0.87 -2.27 0.00 0.00 179.45 179.56 3k0j h LYS 528 N 0.32 0.84 -0.57 1.90 1.57 -1.26 0.60 116.57 119.97 3k0j h LYS 528 Ca -0.06 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3k0j h LYS 528 Cb 1.37 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3k0j h LYS 528 CO 0.15 0.64 0.10 0.77 -0.57 0.00 0.00 179.45 180.54 3k0j h SER 529 N 0.81 0.85 -0.31 0.86 0.02 -1.13 -0.66 113.55 113.99 3k0j h SER 529 Ca 0.21 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 3k0j h SER 529 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3k0j h SER 529 CO -0.03 0.85 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.28 3k0j h LEU 530 N 0.86 0.68 -1.54 5.07 3.38 -0.87 -1.69 115.31 121.20 3k0j h LEU 530 Ca 0.18 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3k0j h LEU 530 Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3k0j h LEU 530 CO 0.01 0.94 0.13 -0.74 0.09 0.00 0.00 178.44 178.87 3k0j h HIS 531 N 0.42 0.42 0.77 1.13 2.76 -0.69 -1.32 115.15 118.63 3k0j h HIS 531 Ca 0.07 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3k0j h HIS 531 Cb 0.69 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.52 3k0j h HIS 531 CO 0.06 0.34 -0.37 0.00 -1.30 0.00 0.00 177.93 176.66 3k0j h ALA 532 N 1.71 -1.03 0.03 5.26 0.00 -0.67 -1.86 119.26 122.70 3k0j h ALA 532 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3k0j h ALA 532 Cb 0.09 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3k0j h ALA 532 CO -0.01 -1.02 -0.09 0.82 0.00 0.00 0.00 179.25 178.95 3k0j h ILE 533 N -1.15 0.78 0.00 0.00 2.04 -1.08 -3.29 117.51 114.80 3k0j h ILE 533 Ca -0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3k0j h ILE 533 Cb 0.81 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3k0j h ILE 533 CO 0.17 0.00 -0.15 -0.26 0.00 0.00 0.00 178.15 177.91 3k0j h PHE 534 N -0.17 0.00 -0.91 1.37 0.04 -1.33 -3.35 116.94 112.58 3k0j h PHE 534 Ca 0.02 0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.03 3k0j h PHE 534 Cb 0.20 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.22 3k0j h PHE 534 CO -0.14 0.15 0.39 0.77 -0.60 0.00 0.00 178.31 178.88 3k0j h SER 535 N 0.00 0.29 0.00 2.17 0.02 -1.40 0.29 113.55 114.91 3k0j h SER 535 Ca -0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3k0j h SER 535 Cb 1.08 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3k0j h SER 535 CO 0.02 -0.06 0.24 0.03 -1.14 0.00 0.00 176.83 175.92 3k0j h ARG 536 N 0.35 0.00 -0.64 3.45 3.08 -1.77 -1.25 114.38 117.59 3k0j h ARG 536 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.64 3k0j h ARG 536 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3k0j h ARG 536 CO -0.57 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 179.52 3k0j n PHE 537 N -2.48 1.19 0.00 3.04 3.72 0.10 -5.02 117.46 118.01 3k0j n PHE 537 Ca -0.02 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 3k0j n PHE 537 Cb 0.28 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3k0j n PHE 537 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k0j n GLY 538 N 0.74 0.40 3.71 1.37 0.00 -0.47 -4.46 105.19 106.49 3k0j n GLY 538 Ca 0.19 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 3k0j n GLY 538 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k0j s GLN 539 N -0.35 4.58 -0.50 1.61 -2.07 -1.26 -4.59 119.66 117.08 3k0j s GLN 539 Ca 0.00 1.44 -0.20 0.00 -1.82 0.00 0.00 55.36 54.77 3k0j s GLN 539 Cb 0.00 -3.44 0.05 0.00 -1.09 0.00 0.00 33.01 28.53 3k0j s GLN 539 CO 0.00 -0.01 0.68 0.42 -1.32 0.00 0.00 175.29 175.06 3k0j s ILE 540 N 0.83 4.79 -0.90 3.63 1.01 -1.26 -2.85 121.20 126.44 3k0j s ILE 540 Ca 0.51 -0.25 0.16 0.00 0.00 0.00 0.00 60.65 61.07 3k0j s ILE 540 Cb -0.22 -4.32 0.14 0.00 0.01 0.00 0.00 42.46 38.08 3k0j s ILE 540 CO 0.28 -0.81 1.50 0.18 0.00 0.00 0.00 174.94 176.09 3k0j n LEU 541 N 6.39 0.12 0.00 2.97 4.77 0.14 -4.88 117.00 126.51 3k0j n LEU 541 Ca -0.04 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3k0j n LEU 541 Cb 0.46 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3k0j n LEU 541 CO 0.55 -0.32 0.00 -0.67 -1.33 0.00 0.00 177.39 175.63 3k0j n ASP 542 N -1.63 0.00 -3.84 -1.43 2.03 -1.02 -4.97 116.55 105.68 3k0j n ASP 542 Ca 0.03 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.18 3k0j n ASP 542 Cb 0.17 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 3k0j n ASP 542 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3k0j s ILE 543 N -2.00 0.18 -0.06 5.18 1.01 -1.26 0.21 121.20 124.46 3k0j s ILE 543 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3k0j s ILE 543 Cb 0.00 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 3k0j s ILE 543 CO 0.00 0.12 -0.20 -0.22 0.00 0.00 0.00 174.94 174.64 3k0j s LEU 544 N 0.74 2.34 -0.23 2.97 0.20 -0.01 -4.98 118.68 119.71 3k0j s LEU 544 Ca -0.07 -0.40 -0.12 0.00 0.69 0.00 0.00 54.13 54.23 3k0j s LEU 544 Cb -0.11 -1.45 0.08 0.00 -0.43 0.00 0.00 46.19 44.28 3k0j s LEU 544 CO -0.01 0.27 0.55 -0.69 -0.29 0.00 0.00 176.35 176.18 3k0j s VAL 545 N -0.27 -0.15 0.03 1.68 1.01 -1.26 -2.08 120.40 119.36 3k0j s VAL 545 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3k0j s VAL 545 Cb -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3k0j s VAL 545 CO 0.03 0.02 -0.08 -0.94 0.00 0.00 0.00 175.10 174.13 3k0j s SER 546 N 1.73 0.90 0.00 3.32 1.04 -1.26 -5.01 113.70 114.42 3k0j s SER 546 Ca -0.09 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3k0j s SER 546 Cb -0.08 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3k0j s SER 546 CO -0.16 -0.13 0.00 -2.11 0.98 0.00 0.00 173.24 171.82 3k0j n ARG 547 N 1.78 0.00 0.00 4.02 0.00 -1.26 -4.57 116.66 116.63 3k0j n ARG 547 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 3k0j n ARG 547 Cb 0.55 -0.87 0.00 0.00 -0.00 0.00 0.00 32.46 32.15 3k0j n ARG 547 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3k0j n SER 548 N 0.28 0.00 -2.91 2.89 2.88 -1.26 -4.92 113.62 110.58 3k0j n SER 548 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3k0j n SER 548 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3k0j n SER 548 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 3k0j n MET 551 N 0.00 -0.35 -3.87 -1.46 0.00 -1.26 -4.90 117.12 105.28 3k0j n MET 551 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 57.70 57.26 3k0j n MET 551 Cb 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 33.22 33.28 3k0j n MET 551 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3k0j s ARG 552 N -3.01 1.65 0.00 2.12 3.52 -1.26 -4.36 118.95 117.61 3k0j s ARG 552 Ca 0.01 -2.29 0.00 0.00 -0.13 0.00 0.00 55.73 53.32 3k0j s ARG 552 Cb -0.00 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 3k0j s ARG 552 CO 0.03 -1.11 0.00 0.41 -0.81 0.00 0.00 175.30 173.83 3k0j n GLY 553 N 3.43 1.09 3.54 8.12 0.00 -1.26 -4.94 105.19 115.16 3k0j n GLY 553 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3k0j n GLY 553 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k0j s GLN 554 N -0.08 1.80 0.06 1.61 -0.21 -1.26 0.05 119.66 121.62 3k0j s GLN 554 Ca 0.00 -1.93 -0.28 0.00 0.02 0.00 0.00 55.36 53.17 3k0j s GLN 554 Cb 0.00 -1.66 0.09 0.00 1.00 0.00 0.00 33.01 32.44 3k0j s GLN 554 CO 0.00 0.13 1.01 0.00 -2.12 0.00 0.00 175.29 174.30 3k0j s ALA 555 N -2.65 -1.82 0.02 6.09 0.00 0.29 -4.86 121.76 118.85 3k0j s ALA 555 Ca 0.32 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3k0j s ALA 555 Cb 0.03 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 3k0j s ALA 555 CO 0.16 -0.91 -0.12 -0.06 0.00 0.00 0.00 175.76 174.83 3k0j s PHE 556 N -3.05 1.07 -0.22 0.00 0.40 -0.88 -1.06 117.98 114.23 3k0j s PHE 556 Ca 0.10 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 3k0j s PHE 556 Cb -0.00 -0.65 0.06 0.00 0.51 0.00 0.00 43.02 42.93 3k0j s PHE 556 CO -0.02 0.01 -0.05 0.08 0.70 0.00 0.00 175.22 175.93 3k0j s VAL 557 N -0.71 1.42 -0.35 -0.44 1.01 0.63 -0.83 120.40 121.13 3k0j s VAL 557 Ca 0.01 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 3k0j s VAL 557 Cb -0.07 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3k0j s VAL 557 CO 0.01 -0.06 0.56 -0.63 0.00 0.00 0.00 175.10 174.98 3k0j s ILE 558 N 1.45 4.97 0.47 2.22 1.01 0.13 -1.34 121.20 130.12 3k0j s ILE 558 Ca -0.04 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.09 3k0j s ILE 558 Cb -0.18 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3k0j s ILE 558 CO -0.07 -0.24 0.69 -0.36 0.00 0.00 0.00 174.94 174.96 3k0j s PHE 559 N 2.52 3.10 -0.11 3.97 0.08 0.28 0.25 117.98 128.08 3k0j s PHE 559 Ca 0.21 0.13 -0.10 0.00 0.12 0.00 0.00 56.93 57.29 3k0j s PHE 559 Cb -0.15 -2.43 -0.08 0.00 -0.57 0.00 0.00 43.02 39.79 3k0j s PHE 559 CO 0.14 -0.49 0.28 1.57 -0.10 0.00 0.00 175.22 176.62 3k0j h LYS 560 N 0.33 -0.03 -5.93 0.44 2.10 -1.79 -3.43 116.57 108.26 3k0j h LYS 560 Ca -0.45 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.58 3k0j h LYS 560 Cb 1.27 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.55 3k0j h LYS 560 CO 0.55 0.28 -0.40 -2.00 -2.00 0.00 0.00 179.45 175.89 3k0j s GLU 561 N -1.89 3.56 0.19 0.07 2.56 -1.26 -4.97 118.70 116.96 3k0j s GLU 561 Ca -0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 54.97 54.71 3k0j s GLU 561 Cb -0.01 -3.05 0.11 0.00 2.00 0.00 0.00 34.13 33.19 3k0j s GLU 561 CO 0.23 0.62 1.60 0.28 -0.56 0.00 0.00 175.26 177.43 3k0j h VAL 562 N 2.81 1.27 -0.43 3.70 2.07 -1.87 -2.74 116.25 121.06 3k0j h VAL 562 Ca -0.49 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 65.77 3k0j h VAL 562 Cb 1.19 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 3k0j h VAL 562 CO 0.68 0.46 -0.23 0.77 0.02 0.00 0.00 177.57 179.27 3k0j h SER 563 N 0.76 -0.79 -0.50 0.57 4.64 -1.94 1.02 113.55 117.32 3k0j h SER 563 Ca 0.10 0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.67 3k0j h SER 563 Cb 0.75 0.41 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 3k0j h SER 563 CO 0.06 -0.26 0.14 0.28 -0.87 0.00 0.00 176.83 176.19 3k0j h SER 564 N -0.15 0.10 0.72 4.97 0.02 -1.73 0.35 113.55 117.83 3k0j h SER 564 Ca 0.20 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3k0j h SER 564 Cb 0.47 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.09 3k0j h SER 564 CO -0.52 0.08 -0.35 0.00 -1.14 0.00 0.00 176.83 174.91 3k0j h ALA 565 N 1.36 -1.24 -1.01 3.77 0.00 -0.51 -1.12 119.26 120.51 3k0j h ALA 565 Ca 0.25 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.21 3k0j h ALA 565 Cb 0.30 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 3k0j h ALA 565 CO -0.28 -1.17 0.60 1.15 0.00 0.00 0.00 179.25 179.55 3k0j h THR 566 N -0.99 0.47 0.06 0.00 2.02 0.12 0.72 112.91 115.32 3k0j h THR 566 Ca -0.10 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3k0j h THR 566 Cb 0.74 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3k0j h THR 566 CO 0.16 0.09 -0.03 -1.13 0.37 0.00 0.00 175.52 174.98 3k0j h ASN 567 N 0.50 -0.07 0.18 4.18 -1.24 -0.13 -2.58 115.58 116.41 3k0j h ASN 567 Ca 0.67 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.45 3k0j h ASN 567 Cb 1.38 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 40.45 3k0j h ASN 567 CO -0.50 0.18 -0.10 0.00 -1.29 0.00 0.00 177.43 175.72 3k0j h ALA 568 N 0.60 -0.26 -0.16 1.57 0.00 0.30 -2.12 119.26 119.19 3k0j h ALA 568 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3k0j h ALA 568 Cb 0.28 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3k0j h ALA 568 CO 0.01 -0.65 -0.41 1.25 0.00 0.00 0.00 179.25 179.45 3k0j h LEU 569 N -0.27 -1.29 -0.42 0.00 6.46 -0.98 1.06 115.31 119.87 3k0j h LEU 569 Ca -0.02 0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 3k0j h LEU 569 Cb 0.22 0.53 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 3k0j h LEU 569 CO 0.02 -0.41 0.10 0.03 -0.62 0.00 0.00 178.44 177.56 3k0j h ARG 570 N -0.46 0.23 0.55 1.25 3.08 -1.42 -2.48 114.38 115.13 3k0j h ARG 570 Ca 0.08 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3k0j h ARG 570 Cb 0.61 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.62 3k0j h ARG 570 CO -0.41 0.15 -0.26 0.77 -1.07 0.00 0.00 179.97 179.15 3k0j h SER 571 N 0.24 -0.62 0.00 7.04 0.02 -0.63 -3.24 113.55 116.35 3k0j h SER 571 Ca 0.20 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3k0j h SER 571 Cb 0.23 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3k0j h SER 571 CO -0.25 -0.27 0.00 0.23 -1.14 0.00 0.00 176.83 175.40 3k0j n MET 572 N -4.96 0.46 -2.01 3.45 2.81 0.36 -4.79 117.12 112.45 3k0j n MET 572 Ca -0.09 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.37 3k0j n MET 572 Cb 0.29 -1.10 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 3k0j n MET 572 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3k0j s GLN 573 N -2.00 3.36 0.00 0.03 2.00 -0.93 -2.78 119.66 119.34 3k0j s GLN 573 Ca 0.05 1.43 0.00 0.00 -2.00 0.00 0.00 55.36 54.84 3k0j s GLN 573 Cb 0.02 -4.19 0.00 0.00 0.80 0.00 0.00 33.01 29.64 3k0j s GLN 573 CO 0.04 -1.83 0.00 0.41 -0.50 0.00 0.00 175.29 173.41 3k0j n GLY 574 N 5.40 0.39 3.78 2.59 0.00 0.46 -4.97 105.19 112.85 3k0j n GLY 574 Ca 0.23 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 3k0j n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k0j s PHE 575 N -2.00 3.81 -0.77 1.61 2.19 -1.12 -4.49 117.98 117.21 3k0j s PHE 575 Ca 0.00 1.39 -0.24 0.00 0.33 0.00 0.00 56.93 58.40 3k0j s PHE 575 Cb 0.00 -2.63 -0.15 0.00 -1.31 0.00 0.00 43.02 38.93 3k0j s PHE 575 CO 0.00 0.49 2.40 -2.30 1.83 0.00 0.00 175.22 177.64 3k0j n PRO 576 N 1.99 0.57 -4.25 10.12 -0.02 -1.26 -2.57 135.00 139.58 3k0j n PRO 576 Ca -0.07 -0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 60.49 3k0j n PRO 576 Cb 0.50 -3.29 -0.16 0.00 -0.02 0.00 0.00 33.50 30.53 3k0j n PRO 576 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k0j s PHE 577 N 12.60 2.80 -1.67 6.00 5.36 -1.21 -4.72 117.98 137.13 3k0j s PHE 577 Ca 1.00 -1.33 -0.11 0.00 -0.96 0.00 0.00 56.93 55.53 3k0j s PHE 577 Cb -0.25 -1.93 0.11 0.00 -0.34 0.00 0.00 43.02 40.60 3k0j s PHE 577 CO 0.18 -0.65 0.39 0.66 -1.46 0.00 0.00 175.22 174.34 3k0j n TYR 578 N 4.44 -1.36 -3.38 10.12 4.01 -1.26 -1.27 117.16 128.46 3k0j n TYR 578 Ca -0.20 0.69 -0.19 0.00 -0.16 0.00 0.00 57.90 58.04 3k0j n TYR 578 Cb 0.51 -2.64 0.07 0.00 -0.31 0.00 0.00 39.34 36.97 3k0j n TYR 578 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k0j n ASP 579 N -2.72 -4.34 -3.59 7.72 8.00 -1.26 -4.76 116.55 115.61 3k0j n ASP 579 Ca -0.11 -0.50 -0.02 0.00 0.71 0.00 0.00 54.79 54.88 3k0j n ASP 579 Cb 0.58 -4.50 -0.05 0.00 -0.02 0.00 0.00 41.12 37.13 3k0j n ASP 579 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3k0j s LYS 580 N -5.77 0.51 -0.18 -1.24 2.20 -0.40 -5.01 119.74 109.85 3k0j s LYS 580 Ca 0.31 1.16 -0.35 0.00 -0.36 0.00 0.00 55.97 56.73 3k0j s LYS 580 Cb -0.14 0.56 -0.12 0.00 -1.51 0.00 0.00 37.83 36.62 3k0j s LYS 580 CO 0.64 -0.15 1.95 -2.30 -0.36 0.00 0.00 175.35 175.13 3k0j n PRO 581 N 4.95 1.78 -2.40 4.03 -0.02 -1.26 -3.31 135.00 138.77 3k0j n PRO 581 Ca -0.13 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3k0j n PRO 581 Cb 0.53 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3k0j n PRO 581 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3k0j s MET 582 N 4.64 4.32 -0.25 -0.52 1.75 -1.06 -4.83 119.30 123.34 3k0j s MET 582 Ca 0.98 1.74 -0.05 0.00 -1.25 0.00 0.00 55.69 57.11 3k0j s MET 582 Cb -0.76 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 33.32 3k0j s MET 582 CO 0.52 -0.52 0.00 1.03 -0.65 0.00 0.00 175.02 175.41 3k0j s ARG 583 N 2.45 3.19 0.18 4.11 0.52 -0.99 0.17 118.95 128.58 3k0j s ARG 583 Ca 0.58 -0.76 0.11 0.00 -0.52 0.00 0.00 55.73 55.13 3k0j s ARG 583 Cb -0.26 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3k0j s ARG 583 CO 0.22 -0.32 -0.23 0.42 0.02 0.00 0.00 175.30 175.41 3k0j s ILE 584 N 1.46 2.19 0.15 1.52 1.01 -1.26 -0.40 121.20 125.88 3k0j s ILE 584 Ca 0.04 -1.95 -0.06 0.00 0.00 0.00 0.00 60.65 58.67 3k0j s ILE 584 Cb -0.16 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.32 3k0j s ILE 584 CO -0.01 -0.13 0.34 0.00 0.00 0.00 0.00 174.94 175.13 3k0j n GLN 585 N 0.39 0.45 -2.89 2.79 10.64 -1.15 -4.99 117.38 122.61 3k0j n GLN 585 Ca -0.14 -0.89 -0.20 0.00 -1.83 0.00 0.00 57.00 53.94 3k0j n GLN 585 Cb 0.56 1.11 0.02 0.00 -0.86 0.00 0.00 30.24 31.07 3k0j n GLN 585 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3k0j s TYR 586 N -5.99 2.96 0.00 2.61 2.02 -1.26 0.05 117.35 117.74 3k0j s TYR 586 Ca 0.07 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3k0j s TYR 586 Cb -0.02 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.05 3k0j s TYR 586 CO 0.05 -0.56 0.00 0.00 -1.57 0.00 0.00 175.55 173.46 3k0j n ALA 587 N -2.10 0.00 -3.91 3.71 0.00 -0.95 -4.53 120.51 112.73 3k0j n ALA 587 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 3k0j n ALA 587 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 3k0j n ALA 587 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k0j n LYS 588 N -0.94 0.93 0.00 0.00 4.01 -1.26 -4.90 118.16 116.01 3k0j n LYS 588 Ca 0.00 -2.55 0.00 0.00 -0.51 0.00 0.00 58.31 55.25 3k0j n LYS 588 Cb 0.00 0.34 0.00 0.00 -0.51 0.00 0.00 35.03 34.86 3k0j n LYS 588 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54