#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 -1.42 0.08 0.00 0.00 0.00 0.00 33.22 31.89 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 3.39 0.00 0.30 2.03 -2.24 -1.26 -4.75 114.28 111.75 2j8p n THR 531 Ca 0.28 -0.13 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 2j8p n THR 531 Cb -0.03 -0.23 0.44 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.39 0.00 -0.38 -0.78 0.13 -1.99 -3.08 132.00 124.51 2j8p h PRO 532 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 2j8p h PRO 532 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2j8p h PRO 532 CO 0.27 0.00 -0.38 0.37 -0.23 0.00 0.00 178.00 178.03 2j8p h GLN 533 N 0.00 0.93 -0.40 0.86 4.15 -1.94 0.51 115.11 119.23 2j8p h GLN 533 Ca 0.00 -0.49 -0.10 0.00 0.77 0.00 0.00 58.65 58.82 2j8p h GLN 533 Cb 0.71 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 2j8p h GLN 533 CO 0.00 1.15 -0.17 0.22 -1.93 0.00 0.00 178.83 178.10 2j8p h ASP 534 N 0.75 0.74 -0.03 -0.69 3.58 -1.86 0.25 116.42 119.17 2j8p h ASP 534 Ca 0.06 -0.24 -0.25 0.00 0.42 0.00 0.00 57.03 57.02 2j8p h ASP 534 Cb 0.98 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 41.85 2j8p h ASP 534 CO 0.10 0.91 -0.96 0.45 -2.88 0.00 0.00 179.24 176.86 2j8p h HIS 535 N 0.66 1.04 -0.07 0.28 3.86 -1.48 -2.94 115.15 116.51 2j8p h HIS 535 Ca 0.10 -0.53 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2j8p h HIS 535 Cb 0.65 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2j8p h HIS 535 CO 0.03 1.37 0.00 -0.85 0.86 0.00 0.00 177.93 179.34 2j8p n GLU 536 N -3.87 1.24 0.28 2.45 0.28 0.18 -3.53 120.64 117.67 2j8p n GLU 536 Ca -0.10 -0.36 0.15 0.00 -0.16 0.00 0.00 57.16 56.69 2j8p n GLU 536 Cb 0.84 -1.27 0.80 0.00 1.43 0.00 0.00 31.44 33.24 2j8p n GLU 536 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2j8p h LYS 537 N 0.70 0.00 -0.26 3.44 3.11 -0.31 -1.21 116.57 122.03 2j8p h LYS 537 Ca 0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2j8p h LYS 537 Cb 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 2j8p h LYS 537 CO 0.00 0.08 0.00 0.00 -2.81 0.00 0.00 179.45 176.72 2j8p h ALA 538 N 1.92 1.52 -0.92 5.00 0.00 -1.63 -1.52 119.26 123.63 2j8p h ALA 538 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2j8p h ALA 538 Cb 0.31 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2j8p h ALA 538 CO 0.01 0.35 0.59 0.00 0.00 0.00 0.00 179.25 180.20 2j8p h ALA 539 N 1.63 1.56 -0.16 0.00 0.00 -1.50 1.29 119.26 122.08 2j8p h ALA 539 Ca 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 539 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2j8p h ALA 539 CO 0.01 0.28 -0.37 1.25 0.00 0.00 0.00 179.25 180.41 2j8p h LEU 540 N 0.98 0.35 -2.10 0.00 5.85 -1.39 -1.86 115.31 117.14 2j8p h LEU 540 Ca 0.41 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2j8p h LEU 540 Cb 0.31 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2j8p h LEU 540 CO -0.17 0.69 0.00 -0.38 -0.34 0.00 0.00 178.44 178.24 2j8p n ILE 541 N -4.05 0.73 -0.09 4.05 5.41 0.51 -4.24 119.36 121.66 2j8p n ILE 541 Ca -0.01 -0.75 -0.11 0.00 1.00 0.00 0.00 62.75 62.87 2j8p n ILE 541 Cb 0.46 0.43 -0.04 0.00 -0.71 0.00 0.00 39.64 39.79 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 3.42 0.49 -0.24 0.38 4.05 0.24 -0.22 114.93 123.05 2j8p h MET 542 Ca 0.00 -0.15 -0.18 0.00 -0.28 0.00 0.00 59.70 59.08 2j8p h MET 542 Cb 0.78 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2j8p h MET 542 CO 0.00 0.63 -0.58 -0.56 0.23 0.00 0.00 176.91 176.63 2j8p h GLN 543 N 0.28 0.77 -0.24 0.39 -0.00 -1.74 0.69 115.11 115.26 2j8p h GLN 543 Ca 0.08 -0.51 -0.03 0.00 -0.00 0.00 0.00 58.65 58.19 2j8p h GLN 543 Cb 0.41 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.94 2j8p h GLN 543 CO 0.01 1.13 -0.00 0.28 -0.00 0.00 0.00 178.83 180.25 2j8p h VAL 544 N 0.58 1.15 0.00 1.86 2.07 -1.76 -3.31 116.25 116.85 2j8p h VAL 544 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2j8p h VAL 544 Cb 1.18 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2j8p h VAL 544 CO 0.12 0.20 0.00 0.18 0.02 0.00 0.00 177.57 178.09 2j8p n LEU 545 N -4.34 0.00 -0.02 2.57 7.99 -0.10 -4.87 117.00 118.22 2j8p n LEU 545 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.03 2j8p n LEU 545 Cb 0.20 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.41 2j8p n LEU 545 CO 0.37 0.00 -0.74 0.00 -1.51 0.00 0.00 177.39 175.51 2j8p n GLN 546 N 0.00 0.87 -1.95 3.23 -0.00 -1.11 -5.08 117.38 113.34 2j8p n GLN 546 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.00 56.90 2j8p n GLN 546 Cb 0.00 -1.33 -0.01 0.00 -0.00 0.00 0.00 30.24 28.90 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 -2.14 -4.10 0.00 2.61 -0.00 0.24 -4.95 117.00 108.67 2j8p n LEU 547 Ca -0.08 0.65 0.00 0.00 -0.00 0.00 0.00 56.01 56.58 2j8p n LEU 547 Cb 0.53 -1.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.06 2j8p n LEU 547 CO 0.29 -1.33 0.00 0.41 -0.00 0.00 0.00 177.39 176.75 2j8p n THR 548 N 0.38 0.00 0.00 1.96 -1.04 -1.26 -4.96 114.28 109.36 2j8p n THR 548 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2j8p n THR 548 Cb 0.08 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.26 0.00 -0.30 2.41 0.00 -1.26 -4.63 120.51 114.47 2j8p n ALA 549 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2j8p n ALA 549 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 0.98 -0.36 0.00 1.82 -1.97 1.13 116.42 118.02 2j8p h ASP 550 Ca 0.00 -0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.48 2j8p h ASP 550 Cb 0.00 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 2j8p h ASP 550 CO 0.00 0.69 -0.32 1.56 -1.61 0.00 0.00 179.24 179.55 2j8p h GLN 551 N 1.14 0.90 0.00 0.28 4.20 -1.97 0.12 115.11 119.79 2j8p h GLN 551 Ca 0.34 -0.43 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 2j8p h GLN 551 Cb -0.04 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2j8p h GLN 551 CO -0.09 1.09 -0.57 0.82 -0.67 0.00 0.00 178.83 179.40 2j8p h ILE 552 N 0.75 1.19 -0.06 2.54 1.08 -1.65 0.89 117.51 122.25 2j8p h ILE 552 Ca 0.08 -2.12 -0.25 0.00 -0.39 0.00 0.00 64.86 62.18 2j8p h ILE 552 Cb 0.90 2.22 0.02 0.00 -3.07 0.00 0.00 36.82 36.88 2j8p h ILE 552 CO 0.08 0.56 -0.93 0.00 -0.69 0.00 0.00 178.15 177.17 2j8p h ALA 553 N 1.43 0.23 -0.00 1.87 0.00 0.16 -3.07 119.26 119.87 2j8p h ALA 553 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2j8p h ALA 553 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2j8p h ALA 553 CO 0.07 0.70 -0.17 0.00 0.00 0.00 0.00 179.25 179.85 2j8p n MET 554 N -3.88 0.61 -2.09 0.00 0.00 0.41 -4.89 117.12 107.28 2j8p n MET 554 Ca -0.09 -0.26 -0.33 0.00 0.00 0.00 0.00 57.70 57.02 2j8p n MET 554 Cb 0.83 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 32.56 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 -2.57 3.56 0.99 3.17 1.43 0.30 -5.04 118.68 120.52 2j8p s LEU 555 Ca 0.25 1.92 -0.15 0.00 -1.03 0.00 0.00 54.13 55.12 2j8p s LEU 555 Cb 0.20 -4.55 0.19 0.00 0.03 0.00 0.00 46.19 42.06 2j8p s LEU 555 CO 0.51 -1.21 1.18 -2.16 0.23 0.00 0.00 176.35 174.89 2j8p s PRO 556 N -3.84 0.46 0.18 1.29 0.04 -1.26 -4.80 135.00 127.07 2j8p s PRO 556 Ca 0.66 0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2j8p s PRO 556 Cb -0.18 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.63 2j8p s PRO 556 CO 0.34 -2.61 1.42 -1.00 0.04 0.00 0.00 177.00 175.19 2j8p h PRO 557 N -1.79 0.21 0.00 0.56 0.13 -1.97 0.13 132.00 129.27 2j8p h PRO 557 Ca -0.48 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2j8p h PRO 557 Cb 1.30 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2j8p h PRO 557 CO 0.50 0.91 0.00 -1.91 -0.23 0.00 0.00 178.00 177.27 2j8p n GLU 558 N -3.71 0.68 -0.00 0.86 0.00 -1.26 -3.15 120.64 114.06 2j8p n GLU 558 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.12 2j8p n GLU 558 Cb 0.76 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.70 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2j8p n GLN 559 N -1.00 0.02 -0.22 5.31 6.02 -1.07 -4.19 117.38 122.25 2j8p n GLN 559 Ca 0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.08 2j8p n GLN 559 Cb 0.07 -0.99 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.21 0.01 -1.09 2.47 -0.68 0.46 114.38 115.34 2j8p h ARG 560 Ca -0.02 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 2j8p h ARG 560 Cb 1.02 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 2j8p h ARG 560 CO -0.00 -0.14 -0.89 0.37 0.56 0.00 0.00 179.97 179.87 2j8p h GLN 561 N -0.21 0.18 -1.09 0.04 4.15 -1.60 -3.20 115.11 113.37 2j8p h GLN 561 Ca 0.19 -0.20 0.34 0.00 0.77 0.00 0.00 58.65 59.75 2j8p h GLN 561 Cb 0.56 0.06 -0.13 0.00 0.21 0.00 0.00 27.48 28.18 2j8p h GLN 561 CO -0.70 0.95 0.66 0.66 -1.93 0.00 0.00 178.83 178.47 2j8p h SER 562 N 0.10 0.44 -0.97 -0.69 4.64 -1.12 1.61 113.55 117.56 2j8p h SER 562 Ca -0.04 0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2j8p h SER 562 Cb 1.53 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.68 2j8p h SER 562 CO 0.13 -0.11 0.64 0.40 -0.87 0.00 0.00 176.83 177.03 2j8p h ILE 563 N 0.28 1.24 -0.73 0.95 1.08 -1.29 0.14 117.51 119.17 2j8p h ILE 563 Ca 0.73 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.69 2j8p h ILE 563 Cb 1.87 -0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2j8p h ILE 563 CO -0.50 0.24 0.20 0.25 -0.69 0.00 0.00 178.15 177.65 2j8p h LEU 564 N 1.30 1.08 -0.20 1.44 6.46 0.21 0.78 115.31 126.39 2j8p h LEU 564 Ca 0.36 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2j8p h LEU 564 Cb -0.13 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.50 2j8p h LEU 564 CO -0.08 1.02 0.08 0.40 -0.62 0.00 0.00 178.44 179.23 2j8p h ILE 565 N 1.10 1.17 -0.28 4.05 2.04 -0.12 0.28 117.51 125.75 2j8p h ILE 565 Ca 0.23 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 2j8p h ILE 565 Cb 0.34 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2j8p h ILE 565 CO -0.00 0.17 -0.26 -0.07 0.00 0.00 0.00 178.15 177.99 2j8p h LEU 566 N 0.17 0.54 -0.88 1.44 4.07 -0.48 -2.39 115.31 117.78 2j8p h LEU 566 Ca 0.07 -0.19 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 2j8p h LEU 566 Cb 0.19 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2j8p h LEU 566 CO -0.00 0.79 -0.05 0.11 -1.08 0.00 0.00 178.44 178.20 2j8p h LYS 567 N 0.47 0.77 -0.67 1.13 1.79 0.99 -1.02 116.57 120.04 2j8p h LYS 567 Ca 0.07 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 2j8p h LYS 567 Cb 0.69 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2j8p h LYS 567 CO 0.05 0.81 0.28 0.93 -1.08 0.00 0.00 179.45 180.45 2j8p h GLU 568 N 0.71 0.99 -0.53 3.15 4.39 0.03 -0.90 114.58 122.41 2j8p h GLU 568 Ca 0.13 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2j8p h GLU 568 Cb 0.51 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2j8p h GLU 568 CO 0.03 0.81 -0.07 1.96 -1.16 0.00 0.00 179.01 180.58 2j8p h GLN 569 N 0.94 0.98 -0.65 2.33 4.20 -1.07 -2.60 115.11 119.23 2j8p h GLN 569 Ca 0.23 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2j8p h GLN 569 Cb 0.18 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2j8p h GLN 569 CO -0.02 1.02 0.36 0.82 -0.67 0.00 0.00 178.83 180.34 2j8p h ILE 570 N 0.85 1.19 -0.16 2.54 2.04 -0.84 -0.83 117.51 122.31 2j8p h ILE 570 Ca 0.14 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2j8p h ILE 570 Cb 0.62 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2j8p h ILE 570 CO 0.04 0.21 -0.07 1.56 0.00 0.00 0.00 178.15 179.89 2j8p h GLN 571 N 0.90 0.24 -2.72 2.37 4.20 -0.80 -3.10 115.11 116.20 2j8p h GLN 571 Ca 0.23 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 58.33 2j8p h GLN 571 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2j8p h GLN 571 CO -0.04 0.32 2.70 1.17 -0.67 0.00 0.00 178.83 182.32 2j8p n LYS 572 N -4.33 3.40 0.00 1.46 4.81 -0.32 -4.82 118.16 118.36 2j8p n LYS 572 Ca -0.01 -2.08 0.00 0.00 -0.87 0.00 0.00 58.31 55.35 2j8p n LYS 572 Cb 0.22 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.68 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2j8p n SER 573 N 3.07 0.00 0.00 3.14 2.88 -1.17 -4.80 113.62 116.74 2j8p n SER 573 Ca 0.69 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2j8p n SER 573 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2j8p n SER 573 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2j8p n THR 574 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -4.67 114.28 109.77 2j8p n THR 574 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2j8p n THR 574 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2j8p n THR 574 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j8p n GLY 575 N 0.00 -0.41 2.79 3.41 0.00 -1.26 -5.08 105.19 104.64 2j8p n GLY 575 Ca 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 2j8p n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8p s ALA 576 N -1.00 -0.58 -2.00 4.61 0.00 -1.26 -5.13 121.76 116.39 2j8p s ALA 576 Ca 0.00 -0.65 0.24 0.00 0.00 0.00 0.00 51.96 51.55 2j8p s ALA 576 Cb 0.00 -2.02 1.43 0.00 0.00 0.00 0.00 23.12 22.54 2j8p s ALA 576 CO 0.00 -2.00 1.80 -0.35 0.00 0.00 0.00 175.76 175.21