#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8p n MET 530 N 0.00 0.00 -0.90 -0.41 2.00 -1.26 -4.82 117.12 111.73 2j8p n MET 530 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 2j8p n MET 530 Cb 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 33.22 31.96 2j8p n MET 530 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2j8p n THR 531 N 3.99 0.00 0.60 2.03 -2.24 -1.26 -4.76 114.28 112.63 2j8p n THR 531 Ca 0.32 -0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 2j8p n THR 531 Cb -0.05 -0.19 0.46 0.00 -2.10 0.00 0.00 70.33 68.45 2j8p n THR 531 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2j8p n PRO 532 N 1.08 0.15 -0.07 -0.78 -0.04 -1.26 -2.95 135.00 131.14 2j8p n PRO 532 Ca -0.01 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2j8p n PRO 532 Cb 0.70 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2j8p n PRO 532 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2j8p h GLN 533 N 0.00 0.82 -0.38 0.54 -0.00 -1.97 -1.24 115.11 112.89 2j8p h GLN 533 Ca 0.00 -0.52 -0.15 0.00 -0.00 0.00 0.00 58.65 57.99 2j8p h GLN 533 Cb 0.50 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.03 2j8p h GLN 533 CO 0.00 1.15 -0.35 0.22 0.00 0.00 0.00 178.83 179.85 2j8p h ASP 534 N 0.63 0.93 0.50 -0.69 3.58 -1.85 -2.53 116.42 116.99 2j8p h ASP 534 Ca 0.02 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.00 2j8p h ASP 534 Cb 1.13 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2j8p h ASP 534 CO 0.12 1.18 -0.27 0.45 -2.88 0.00 0.00 179.24 177.83 2j8p h HIS 535 N 0.73 0.00 -0.11 0.28 3.86 -1.54 -1.04 115.15 117.33 2j8p h HIS 535 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2j8p h HIS 535 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2j8p h HIS 535 CO 0.06 0.27 0.00 -1.91 0.86 0.00 0.00 177.93 177.21 2j8p n GLU 536 N -3.80 1.34 0.27 2.45 2.13 -0.48 -3.61 120.64 118.95 2j8p n GLU 536 Ca -0.01 -0.52 0.14 0.00 0.66 0.00 0.00 57.16 57.43 2j8p n GLU 536 Cb 0.37 -1.24 0.76 0.00 0.27 0.00 0.00 31.44 31.60 2j8p n GLU 536 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2j8p h LYS 537 N 0.95 0.00 -0.15 5.31 1.79 -0.99 -1.30 116.57 122.17 2j8p h LYS 537 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2j8p h LYS 537 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2j8p h LYS 537 CO 0.00 0.10 -0.41 0.00 -1.08 0.00 0.00 179.45 178.06 2j8p h ALA 538 N 1.90 1.02 -0.78 3.86 0.00 -1.75 -2.56 119.26 120.96 2j8p h ALA 538 Ca -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2j8p h ALA 538 Cb 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2j8p h ALA 538 CO 0.01 0.61 0.51 0.00 0.00 0.00 0.00 179.25 180.39 2j8p h ALA 539 N 1.28 1.47 -0.24 0.00 0.00 -1.50 3.43 119.26 123.69 2j8p h ALA 539 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2j8p h ALA 539 Cb 0.85 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2j8p h ALA 539 CO 0.07 0.48 -0.38 1.25 0.00 0.00 0.00 179.25 180.67 2j8p h LEU 540 N 1.03 0.57 0.00 0.00 5.85 -1.48 -2.63 115.31 118.64 2j8p h LEU 540 Ca 0.29 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2j8p h LEU 540 Cb -0.07 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2j8p h LEU 540 CO -0.07 0.89 -0.64 0.40 -0.34 0.00 0.00 178.44 178.68 2j8p h ILE 541 N 0.45 0.00 -0.37 4.05 2.04 -0.77 -3.30 117.51 119.61 2j8p h ILE 541 Ca 0.04 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2j8p h ILE 541 Cb 0.86 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2j8p h ILE 541 CO 0.07 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.47 2j8p h MET 542 N 0.00 0.48 -0.15 2.37 -0.00 0.67 0.27 114.93 118.57 2j8p h MET 542 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2j8p h MET 542 Cb 0.99 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.47 2j8p h MET 542 CO 0.00 0.32 0.05 1.96 -0.00 0.00 0.00 176.91 179.24 2j8p h GLN 543 N 0.50 0.23 -0.15 -0.10 4.20 -1.63 -1.31 115.11 116.85 2j8p h GLN 543 Ca 0.14 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 2j8p h GLN 543 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2j8p h GLN 543 CO -0.03 0.34 -0.45 0.28 -0.67 0.00 0.00 178.83 178.31 2j8p h VAL 544 N 0.08 1.32 0.00 -0.54 2.07 -1.59 -1.62 116.25 115.97 2j8p h VAL 544 Ca 0.05 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2j8p h VAL 544 Cb 0.20 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2j8p h VAL 544 CO -0.00 0.50 0.00 0.18 0.02 0.00 0.00 177.57 178.26 2j8p n LEU 545 N -4.00 0.00 -0.05 2.57 4.77 0.89 -4.60 117.00 116.58 2j8p n LEU 545 Ca -0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 2j8p n LEU 545 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 2j8p n LEU 545 CO 0.44 0.00 -0.90 0.00 -1.33 0.00 0.00 177.39 175.60 2j8p n GLN 546 N 0.00 1.13 -0.21 3.23 3.00 -0.98 -4.99 117.38 118.56 2j8p n GLN 546 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2j8p n GLN 546 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.84 2j8p n GLN 546 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2j8p n LEU 547 N -2.40 0.00 -3.72 1.08 7.94 -0.53 -5.01 117.00 114.36 2j8p n LEU 547 Ca -0.17 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.59 2j8p n LEU 547 Cb 0.80 -0.11 -0.14 0.00 0.53 0.00 0.00 43.42 44.51 2j8p n LEU 547 CO 0.34 0.00 -0.18 -0.89 -1.11 0.00 0.00 177.39 175.55 2j8p s THR 548 N -2.00 -0.13 -2.00 1.96 2.01 -1.25 -4.87 115.64 109.36 2j8p s THR 548 Ca 0.00 0.21 0.26 0.00 0.31 0.00 0.00 61.69 62.47 2j8p s THR 548 Cb 0.00 -0.33 0.75 0.00 0.01 0.00 0.00 72.50 72.92 2j8p s THR 548 CO 0.00 0.09 2.00 0.00 -0.69 0.00 0.00 174.62 176.02 2j8p n ALA 549 N 4.55 2.65 -0.03 7.40 0.00 -1.26 -3.47 120.51 130.35 2j8p n ALA 549 Ca -0.20 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 2j8p n ALA 549 Cb 0.52 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 2j8p n ALA 549 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2j8p h ASP 550 N 0.00 0.16 -0.36 0.00 1.82 -1.97 1.45 116.42 117.52 2j8p h ASP 550 Ca 0.00 -0.32 -0.15 0.00 -0.39 0.00 0.00 57.03 56.17 2j8p h ASP 550 Cb 0.00 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2j8p h ASP 550 CO 0.00 0.44 -0.36 1.56 -1.61 0.00 0.00 179.24 179.27 2j8p h GLN 551 N -0.13 0.88 0.00 0.28 7.50 -2.00 -2.86 115.11 118.78 2j8p h GLN 551 Ca 0.02 -0.47 -0.12 0.00 0.50 0.00 0.00 58.65 58.59 2j8p h GLN 551 Cb 0.36 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.89 2j8p h GLN 551 CO 0.01 1.11 -0.58 0.82 -1.50 0.00 0.00 178.83 178.69 2j8p h ILE 552 N 0.68 1.41 0.00 2.54 1.08 -1.66 -2.57 117.51 118.99 2j8p h ILE 552 Ca 0.06 -2.01 -0.02 0.00 -0.39 0.00 0.00 64.86 62.50 2j8p h ILE 552 Cb 0.95 2.09 -0.00 0.00 -3.07 0.00 0.00 36.82 36.79 2j8p h ILE 552 CO 0.09 0.57 -0.08 0.00 -0.69 0.00 0.00 178.15 178.04 2j8p h ALA 553 N 1.42 1.71 0.00 1.87 0.00 0.22 0.19 119.26 124.67 2j8p h ALA 553 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2j8p h ALA 553 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2j8p h ALA 553 CO 0.08 0.10 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 2j8p n MET 554 N -4.22 0.38 -3.38 0.00 2.81 -0.97 -4.81 117.12 106.94 2j8p n MET 554 Ca -0.03 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.55 2j8p n MET 554 Cb 0.16 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 2j8p n MET 554 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2j8p s LEU 555 N -2.61 4.15 0.96 4.03 1.43 0.65 -5.08 118.68 122.20 2j8p s LEU 555 Ca 0.27 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.19 2j8p s LEU 555 Cb 0.20 -3.73 0.17 0.00 0.03 0.00 0.00 46.19 42.86 2j8p s LEU 555 CO 0.46 -0.10 1.16 -2.16 0.23 0.00 0.00 176.35 175.95 2j8p s PRO 556 N -2.87 0.73 0.15 1.29 0.04 -1.26 -4.80 135.00 128.28 2j8p s PRO 556 Ca 0.48 0.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 2j8p s PRO 556 Cb -0.11 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2j8p s PRO 556 CO 0.21 -2.44 1.35 -1.00 0.04 0.00 0.00 177.00 175.16 2j8p h PRO 557 N -1.67 0.40 0.00 0.56 0.13 -1.98 0.33 132.00 129.76 2j8p h PRO 557 Ca -0.49 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 2j8p h PRO 557 Cb 1.31 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2j8p h PRO 557 CO 0.55 1.05 0.00 -1.91 -0.23 0.00 0.00 178.00 177.46 2j8p n GLU 558 N -3.77 0.44 -0.02 0.86 2.13 -1.26 -2.97 120.64 116.05 2j8p n GLU 558 Ca -0.06 0.06 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2j8p n GLU 558 Cb 0.79 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2j8p n GLN 559 N -1.15 1.16 -0.20 5.31 6.02 -1.09 -4.50 117.38 122.93 2j8p n GLN 559 Ca 0.12 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 57.03 2j8p n GLN 559 Cb 0.11 -1.08 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 2j8p n GLN 559 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2j8p h ARG 560 N 0.00 -0.24 0.00 -1.09 3.08 -0.24 0.87 114.38 116.77 2j8p h ARG 560 Ca -0.08 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2j8p h ARG 560 Cb 1.15 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 2j8p h ARG 560 CO -0.01 -0.16 -0.04 0.37 -1.07 0.00 0.00 179.97 179.07 2j8p h GLN 561 N -0.25 0.00 -1.27 0.04 4.15 -1.64 -2.04 115.11 114.10 2j8p h GLN 561 Ca 0.16 0.00 0.38 0.00 0.77 0.00 0.00 58.65 59.97 2j8p h GLN 561 Cb 0.56 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.15 2j8p h GLN 561 CO -0.68 0.04 0.84 1.03 -1.93 0.00 0.00 178.83 178.13 2j8p h SER 562 N 0.00 0.25 -0.75 -0.69 0.87 0.56 1.66 113.55 115.46 2j8p h SER 562 Ca -0.00 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2j8p h SER 562 Cb 0.08 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2j8p h SER 562 CO 0.00 -0.07 0.38 0.40 -0.53 0.00 0.00 176.83 177.02 2j8p h ILE 563 N 0.16 1.23 -0.86 2.23 1.08 -1.32 0.29 117.51 120.33 2j8p h ILE 563 Ca 0.73 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 2j8p h ILE 563 Cb 2.31 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2j8p h ILE 563 CO -0.30 0.27 0.47 0.25 -0.69 0.00 0.00 178.15 178.15 2j8p h LEU 564 N 1.04 1.06 -0.07 1.44 6.46 0.23 1.79 115.31 127.25 2j8p h LEU 564 Ca 0.26 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2j8p h LEU 564 Cb 0.08 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2j8p h LEU 564 CO -0.04 0.85 0.02 0.40 -0.62 0.00 0.00 178.44 179.05 2j8p h ILE 565 N 1.19 1.19 -0.23 4.05 2.04 -0.62 0.36 117.51 125.50 2j8p h ILE 565 Ca 0.30 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 2j8p h ILE 565 Cb 0.02 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2j8p h ILE 565 CO -0.05 0.16 -0.35 0.25 0.00 0.00 0.00 178.15 178.16 2j8p h LEU 566 N -0.10 0.52 -1.20 1.44 5.85 -0.51 -2.57 115.31 118.73 2j8p h LEU 566 Ca 0.02 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2j8p h LEU 566 Cb 0.24 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2j8p h LEU 566 CO 0.00 0.83 0.26 0.11 -0.34 0.00 0.00 178.44 179.30 2j8p h LYS 567 N 0.42 0.81 -0.35 1.25 6.56 0.30 -1.27 116.57 124.29 2j8p h LYS 567 Ca 0.05 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 2j8p h LYS 567 Cb 0.82 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.31 2j8p h LYS 567 CO 0.07 0.64 0.13 1.05 -2.06 0.00 0.00 179.45 179.28 2j8p h GLU 568 N 0.81 0.49 -0.91 3.15 -0.00 -0.51 -1.78 114.58 115.83 2j8p h GLU 568 Ca 0.20 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.36 59.50 2j8p h GLU 568 Cb 0.11 -0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 28.73 2j8p h GLU 568 CO -0.02 0.41 0.57 1.96 -0.00 0.00 0.00 179.01 181.93 2j8p h GLN 569 N 0.49 1.22 -0.79 1.06 4.20 -1.13 -0.33 115.11 119.82 2j8p h GLN 569 Ca 0.12 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2j8p h GLN 569 Cb 0.12 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 2j8p h GLN 569 CO -0.01 0.84 0.43 0.82 -0.67 0.00 0.00 178.83 180.24 2j8p h ILE 570 N 1.25 1.24 -0.53 2.54 2.04 -1.23 -2.41 117.51 120.41 2j8p h ILE 570 Ca 0.33 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 2j8p h ILE 570 Cb -0.08 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2j8p h ILE 570 CO -0.06 0.27 0.10 1.56 0.00 0.00 0.00 178.15 180.01 2j8p h GLN 571 N 1.10 0.86 -3.73 2.37 7.50 -1.12 -3.48 115.11 118.61 2j8p h GLN 571 Ca 0.28 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 59.19 2j8p h GLN 571 Cb 0.04 -0.10 0.01 0.00 0.05 0.00 0.00 27.48 27.47 2j8p h GLN 571 CO -0.04 0.84 -0.04 1.63 -1.50 0.00 0.00 178.83 179.71 2j8p n LYS 572 N -4.40 -0.44 -3.89 1.46 5.02 -0.22 -5.08 118.16 110.61 2j8p n LYS 572 Ca 0.02 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 56.95 2j8p n LYS 572 Cb 0.25 -2.81 -0.02 0.00 -0.02 0.00 0.00 35.03 32.44 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p s SER 573 N -2.43 -0.10 0.64 4.39 0.15 -1.26 -5.10 113.70 110.00 2j8p s SER 573 Ca 0.02 -0.85 -0.10 0.00 0.70 0.00 0.00 55.95 55.72 2j8p s SER 573 Cb -0.00 0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2j8p s SER 573 CO 0.23 -1.39 1.01 0.28 1.20 0.00 0.00 173.24 174.57 2j8p s THR 574 N -3.51 4.06 0.00 6.45 -1.32 -1.26 -4.92 115.64 115.15 2j8p s THR 574 Ca 0.15 0.51 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 2j8p s THR 574 Cb -0.04 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 2j8p s THR 574 CO 0.09 -0.80 0.00 0.61 -2.21 0.00 0.00 174.62 172.31 2j8p n GLY 575 N -2.78 3.63 3.58 6.08 0.00 -1.26 -5.15 105.19 109.29 2j8p n GLY 575 Ca 0.06 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2j8p n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8p n ALA 576 N -3.00 -1.51 1.50 4.61 0.00 -1.26 -5.32 120.51 115.54 2j8p n ALA 576 Ca 0.00 -0.63 0.12 0.00 0.00 0.00 0.00 53.44 52.93 2j8p n ALA 576 Cb 0.00 -2.06 0.71 0.00 0.00 0.00 0.00 19.45 18.10 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15