#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 -0.88 -0.41 2.00 -1.26 -4.83 117.12 111.74 2j8p n MET 530 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 2j8p n MET 530 Cb 0.00 -1.40 0.08 0.00 0.00 0.00 0.00 33.22 31.90 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 4.05 0.00 0.40 2.03 -2.24 -1.26 -4.77 114.28 112.49 2j8p n THR 531 Ca 0.32 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 2j8p n THR 531 Cb -0.05 -0.22 0.44 0.00 -2.10 0.00 0.00 70.33 68.40 2j8p n THR 531 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2j8p h PRO 532 N -1.38 0.00 -0.37 -0.78 0.13 -2.00 -3.07 132.00 124.52 2j8p h PRO 532 Ca -0.44 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.52 2j8p h PRO 532 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2j8p h PRO 532 CO 0.27 0.00 -0.41 0.37 -0.23 0.00 0.00 178.00 178.00 2j8p h GLN 533 N 0.00 0.94 -0.60 0.86 -0.00 -1.97 -1.72 115.11 112.62 2j8p h GLN 533 Ca 0.00 -0.51 -0.10 0.00 -0.00 0.00 0.00 58.65 58.04 2j8p h GLN 533 Cb 0.64 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.12 2j8p h GLN 533 CO 0.00 1.16 0.00 0.22 0.00 0.00 0.00 178.83 180.22 2j8p h ASP 534 N 0.76 1.03 0.50 -0.69 3.58 -1.86 -1.90 116.42 117.84 2j8p h ASP 534 Ca 0.05 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 2j8p h ASP 534 Cb 1.01 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2j8p h ASP 534 CO 0.10 1.08 -0.20 0.45 -2.88 0.00 0.00 179.24 177.79 2j8p h HIS 535 N 0.96 0.00 -0.14 0.28 3.86 -1.53 -0.74 115.15 117.84 2j8p h HIS 535 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2j8p h HIS 535 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2j8p h HIS 535 CO 0.04 0.20 0.00 0.39 0.86 0.00 0.00 177.93 179.42 2j8p n GLU 536 N -3.68 1.38 0.27 2.45 1.02 -0.66 -3.58 120.64 117.84 2j8p n GLU 536 Ca -0.01 -0.59 0.16 0.00 -0.02 0.00 0.00 57.16 56.69 2j8p n GLU 536 Cb 0.32 -1.20 0.70 0.00 -0.02 0.00 0.00 31.44 31.24 2j8p n GLU 536 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2j8p h LYS 537 N 1.02 0.00 -0.20 3.49 1.79 -0.95 -2.05 116.57 119.67 2j8p h LYS 537 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2j8p h LYS 537 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2j8p h LYS 537 CO 0.00 0.07 -0.18 0.00 -1.08 0.00 0.00 179.45 178.26 2j8p h ALA 538 N 1.93 1.33 -0.71 3.86 0.00 -1.76 -1.97 119.26 121.94 2j8p h ALA 538 Ca -0.00 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.74 2j8p h ALA 538 Cb 0.48 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2j8p h ALA 538 CO 0.01 0.45 0.47 0.00 0.00 0.00 0.00 179.25 180.18 2j8p h ALA 539 N 1.51 1.89 -0.26 0.00 0.00 -1.65 1.66 119.26 122.41 2j8p h ALA 539 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2j8p h ALA 539 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2j8p h ALA 539 CO 0.03 -0.04 0.08 1.25 0.00 0.00 0.00 179.25 180.57 2j8p h LEU 540 N 0.57 0.32 0.00 0.00 5.85 -1.48 -1.05 115.31 119.53 2j8p h LEU 540 Ca 0.33 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2j8p h LEU 540 Cb 0.51 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2j8p h LEU 540 CO -0.11 0.32 -1.16 -0.38 -0.34 0.00 0.00 178.44 176.77 2j8p n ILE 541 N -4.41 0.07 -0.35 4.05 -0.00 0.12 -4.22 119.36 114.62 2j8p n ILE 541 Ca 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 2j8p n ILE 541 Cb 0.14 0.45 0.14 0.00 -0.00 0.00 0.00 39.64 40.37 2j8p n ILE 541 CO 0.00 0.00 0.00 -0.03 -0.00 0.00 0.00 176.55 176.52 2j8p h MET 542 N 0.00 1.13 -0.30 0.38 1.85 0.36 -0.55 114.93 117.80 2j8p h MET 542 Ca 0.00 -0.07 -0.15 0.00 -0.61 0.00 0.00 59.70 58.87 2j8p h MET 542 Cb 0.68 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 2j8p h MET 542 CO 0.00 0.75 -0.41 -0.56 -0.40 0.00 0.00 176.91 176.28 2j8p h GLN 543 N 1.16 0.73 -0.34 0.39 3.07 -1.71 0.13 115.11 118.54 2j8p h GLN 543 Ca 0.39 -0.39 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 2j8p h GLN 543 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 2j8p h GLN 543 CO -0.14 1.01 0.09 0.28 0.09 0.00 0.00 178.83 180.16 2j8p h VAL 544 N 0.60 1.16 0.00 1.86 2.07 -1.51 -3.30 116.25 117.12 2j8p h VAL 544 Ca 0.05 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2j8p h VAL 544 Cb 0.96 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2j8p h VAL 544 CO 0.09 0.19 0.00 0.18 0.02 0.00 0.00 177.57 178.05 2j8p n LEU 545 N -4.36 0.00 -0.07 2.57 7.99 -0.30 -4.87 117.00 117.96 2j8p n LEU 545 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.95 2j8p n LEU 545 Cb 0.17 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.37 2j8p n LEU 545 CO 0.37 0.00 -0.95 0.00 -1.51 0.00 0.00 177.39 175.30 2j8p n GLN 546 N 0.00 1.62 -1.92 3.23 0.00 -1.12 -5.09 117.38 114.11 2j8p n GLN 546 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 57.00 56.97 2j8p n GLN 546 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 30.24 28.86 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 -2.51 -3.76 0.00 2.61 -0.00 0.43 -4.95 117.00 108.83 2j8p n LEU 547 Ca -0.22 0.75 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 2j8p n LEU 547 Cb 0.94 -1.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.51 2j8p n LEU 547 CO 0.30 -1.40 0.00 0.41 -0.00 0.00 0.00 177.39 176.71 2j8p n THR 548 N 0.51 0.00 0.00 1.96 -1.04 -1.26 -4.98 114.28 109.47 2j8p n THR 548 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2j8p n THR 548 Cb 0.16 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 2j8p n THR 548 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2j8p n ALA 549 N -1.80 0.00 -0.26 2.41 0.00 -1.26 -4.74 120.51 114.87 2j8p n ALA 549 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j8p n ALA 549 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 0.93 -0.72 0.00 1.82 -1.97 0.67 116.42 117.16 2j8p h ASP 550 Ca 0.00 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 2j8p h ASP 550 Cb 0.00 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 39.75 2j8p h ASP 550 CO 0.00 0.68 0.27 1.56 -1.61 0.00 0.00 179.24 180.13 2j8p h GLN 551 N 1.10 1.09 0.00 0.28 4.20 -1.99 -0.65 115.11 119.14 2j8p h GLN 551 Ca 0.30 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 2j8p h GLN 551 Cb -0.12 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 2j8p h GLN 551 CO -0.07 0.91 -0.64 0.82 -0.67 0.00 0.00 178.83 179.18 2j8p h ILE 552 N 1.04 1.26 -0.59 2.54 1.08 -1.66 -2.89 117.51 118.29 2j8p h ILE 552 Ca 0.24 -2.37 -0.09 0.00 -0.39 0.00 0.00 64.86 62.24 2j8p h ILE 552 Cb 0.24 2.35 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 2j8p h ILE 552 CO -0.02 0.63 0.00 0.00 -0.69 0.00 0.00 178.15 178.08 2j8p h ALA 553 N 1.36 0.88 0.00 1.87 0.00 0.98 -1.83 119.26 122.52 2j8p h ALA 553 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2j8p h ALA 553 Cb 1.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2j8p h ALA 553 CO 0.08 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2j8p n MET 554 N -4.18 0.05 -3.00 0.00 0.00 -0.31 -4.78 117.12 104.90 2j8p n MET 554 Ca 0.03 0.13 -0.37 0.00 0.00 0.00 0.00 57.70 57.48 2j8p n MET 554 Cb 0.34 -1.57 -0.06 0.00 0.00 0.00 0.00 33.22 31.93 2j8p n MET 554 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2j8p s LEU 555 N -3.34 4.41 0.99 3.17 1.43 -0.69 -5.07 118.68 119.59 2j8p s LEU 555 Ca 0.11 1.56 -0.15 0.00 -1.03 0.00 0.00 54.13 54.63 2j8p s LEU 555 Cb 0.15 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.97 2j8p s LEU 555 CO 0.46 0.06 1.18 -2.16 0.23 0.00 0.00 176.35 176.12 2j8p s PRO 556 N -1.76 0.49 0.15 1.29 0.04 -1.26 -4.75 135.00 129.20 2j8p s PRO 556 Ca 0.42 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.48 2j8p s PRO 556 Cb -0.19 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2j8p s PRO 556 CO 0.23 -2.59 1.36 -1.00 0.04 0.00 0.00 177.00 175.04 2j8p h PRO 557 N -1.77 0.41 0.00 0.56 0.13 -1.97 0.71 132.00 130.06 2j8p h PRO 557 Ca -0.48 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 2j8p h PRO 557 Cb 1.30 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2j8p h PRO 557 CO 0.50 1.05 0.00 -1.91 -0.23 0.00 0.00 178.00 177.41 2j8p n GLU 558 N -3.78 0.58 0.00 0.86 2.13 -1.26 -3.16 120.64 116.01 2j8p n GLU 558 Ca -0.06 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2j8p n GLU 558 Cb 0.78 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.99 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 -1.08 0.76 -0.13 5.31 6.02 -1.09 -4.53 117.38 122.64 2j8p n GLN 559 Ca 0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.05 2j8p n GLN 559 Cb 0.10 -0.98 -0.04 0.00 1.02 0.00 0.00 30.24 30.34 2j8p n GLN 559 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2j8p h ARG 560 N 0.00 -0.29 0.00 -1.09 2.43 0.49 0.74 114.38 116.66 2j8p h ARG 560 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2j8p h ARG 560 Cb 0.96 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2j8p h ARG 560 CO 0.00 -0.19 -0.06 0.37 -1.51 0.00 0.00 179.97 178.58 2j8p h GLN 561 N -0.30 0.00 -1.20 0.20 4.15 -1.63 -2.32 115.11 114.02 2j8p h GLN 561 Ca 0.15 0.00 0.34 0.00 0.77 0.00 0.00 58.65 59.92 2j8p h GLN 561 Cb 0.57 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 2j8p h GLN 561 CO -0.58 0.06 0.80 1.03 -1.93 0.00 0.00 178.83 178.21 2j8p h SER 562 N 0.00 0.26 -0.43 -0.69 0.87 0.27 1.78 113.55 115.62 2j8p h SER 562 Ca -0.00 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2j8p h SER 562 Cb 0.19 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2j8p h SER 562 CO 0.01 -0.01 0.14 0.40 -0.53 0.00 0.00 176.83 176.84 2j8p h ILE 563 N 0.20 1.20 -0.84 2.23 1.08 -1.41 -0.14 117.51 119.83 2j8p h ILE 563 Ca 0.66 -0.70 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2j8p h ILE 563 Cb 2.08 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 36.47 2j8p h ILE 563 CO -0.24 0.26 0.44 0.25 -0.69 0.00 0.00 178.15 178.17 2j8p h LEU 564 N 0.71 1.06 -0.03 1.44 6.46 0.26 2.37 115.31 127.57 2j8p h LEU 564 Ca 0.16 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2j8p h LEU 564 Cb 0.23 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2j8p h LEU 564 CO -0.01 0.86 -0.02 0.40 -0.62 0.00 0.00 178.44 179.06 2j8p h ILE 565 N 1.18 1.34 0.00 4.05 2.04 -0.96 -2.88 117.51 122.27 2j8p h ILE 565 Ca 0.29 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2j8p h ILE 565 Cb 0.06 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2j8p h ILE 565 CO -0.04 0.28 -0.38 -0.07 0.00 0.00 0.00 178.15 177.93 2j8p h LEU 566 N -0.35 0.00 -0.89 1.44 3.38 -0.72 -2.67 115.31 115.51 2j8p h LEU 566 Ca 0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.07 2j8p h LEU 566 Cb 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2j8p h LEU 566 CO 0.01 0.38 0.53 0.11 0.09 0.00 0.00 178.44 179.56 2j8p h LYS 567 N 0.00 0.88 -0.69 1.13 1.57 0.42 0.73 116.57 120.61 2j8p h LYS 567 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2j8p h LYS 567 Cb 0.74 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2j8p h LYS 567 CO 0.05 0.58 0.29 0.93 -0.57 0.00 0.00 179.45 180.73 2j8p h GLU 568 N 0.90 1.00 -0.55 3.15 4.39 -1.27 -0.67 114.58 121.54 2j8p h GLU 568 Ca 0.42 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 2j8p h GLU 568 Cb 0.34 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2j8p h GLU 568 CO -0.23 0.80 -0.05 1.96 -1.16 0.00 0.00 179.01 180.33 2j8p h GLN 569 N 0.99 0.98 -0.57 2.33 4.20 -0.96 0.33 115.11 122.40 2j8p h GLN 569 Ca 0.23 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 2j8p h GLN 569 Cb 0.16 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2j8p h GLN 569 CO -0.02 0.99 0.10 0.82 -0.67 0.00 0.00 178.83 180.04 2j8p h ILE 570 N 0.89 1.26 -0.44 2.54 2.04 -0.41 -2.87 117.51 120.52 2j8p h ILE 570 Ca 0.15 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2j8p h ILE 570 Cb 0.58 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2j8p h ILE 570 CO 0.04 0.35 0.04 1.56 0.00 0.00 0.00 178.15 180.14 2j8p h GLN 571 N 0.84 0.74 -4.53 2.37 7.50 -0.86 -3.49 115.11 117.69 2j8p h GLN 571 Ca 0.17 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2j8p h GLN 571 Cb 0.41 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2j8p h GLN 571 CO 0.01 0.79 -0.43 1.63 -1.50 0.00 0.00 178.83 179.33 2j8p n LYS 572 N -4.45 -1.84 0.12 1.46 5.02 0.08 -5.03 118.16 113.52 2j8p n LYS 572 Ca -0.00 1.74 0.00 0.00 -2.02 0.00 0.00 58.31 58.03 2j8p n LYS 572 Cb 0.27 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.01 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p n SER 573 N -0.14 0.18 -4.32 4.39 2.88 -1.26 -5.10 113.62 110.26 2j8p n SER 573 Ca 0.06 0.40 -0.26 0.00 -1.33 0.00 0.00 58.87 57.74 2j8p n SER 573 Cb 0.23 0.21 -0.13 0.00 -0.75 0.00 0.00 64.21 63.77 2j8p n SER 573 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2j8p s THR 574 N -2.00 1.91 0.11 2.46 -1.32 -1.26 -5.15 115.64 110.40 2j8p s THR 574 Ca 0.00 -1.58 0.06 0.00 -1.21 0.00 0.00 61.69 58.96 2j8p s THR 574 Cb 0.00 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 2j8p s THR 574 CO 0.00 0.04 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.60 2j8p s GLY 575 N -1.86 1.86 0.00 6.08 0.00 -1.26 -4.85 107.32 107.28 2j8p s GLY 575 Ca 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2j8p s GLY 575 CO 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 173.10 171.97 2j8p n ALA 576 N 0.42 0.00 1.50 3.20 0.00 -1.26 -5.26 120.51 119.12 2j8p n ALA 576 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2j8p n ALA 576 Cb 0.53 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.69 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15