#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 4.80 -0.84 -1.40 0.00 -1.26 -4.99 117.12 113.44 2j8p n MET 530 Ca 0.00 -4.29 0.11 0.00 -0.00 0.00 0.00 57.70 53.53 2j8p n MET 530 Cb 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 33.22 30.63 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 1.06 0.00 0.30 1.12 -2.24 -1.26 -2.60 114.28 110.66 2j8p n THR 531 Ca 0.43 0.05 0.14 0.00 -2.27 0.00 0.00 64.05 62.40 2j8p n THR 531 Cb 0.29 -0.34 0.44 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.78 0.00 -0.42 -0.78 0.13 -1.99 -3.08 132.00 125.07 2j8p h PRO 532 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2j8p h PRO 532 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2j8p h PRO 532 CO 0.01 0.00 -0.30 1.96 -0.23 0.00 0.00 178.00 179.44 2j8p h GLN 533 N 0.00 0.94 -0.03 0.86 4.20 -1.96 0.13 115.11 119.25 2j8p h GLN 533 Ca 0.00 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 2j8p h GLN 533 Cb 0.71 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2j8p h GLN 533 CO 0.00 1.11 0.01 0.22 -0.67 0.00 0.00 178.83 179.50 2j8p h ASP 534 N 0.79 0.03 0.56 1.46 3.58 -1.41 -1.75 116.42 119.68 2j8p h ASP 534 Ca 0.08 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2j8p h ASP 534 Cb 0.88 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2j8p h ASP 534 CO 0.08 0.11 -0.22 0.45 -2.88 0.00 0.00 179.24 176.78 2j8p h HIS 535 N -0.05 0.00 0.00 0.28 3.86 -1.58 -1.00 115.15 116.67 2j8p h HIS 535 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2j8p h HIS 535 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2j8p h HIS 535 CO -0.05 0.22 0.00 0.39 0.86 0.00 0.00 177.93 179.35 2j8p n GLU 536 N -3.65 0.91 0.29 2.45 1.02 0.44 -3.16 120.64 118.94 2j8p n GLU 536 Ca -0.01 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.29 2j8p n GLU 536 Cb 0.35 -1.48 0.86 0.00 -0.02 0.00 0.00 31.44 31.15 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 0.00 0.00 0.00 3.49 1.79 -0.50 -0.01 116.57 121.33 2j8p h LYS 537 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2j8p h LYS 537 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2j8p h LYS 537 CO 0.00 0.06 -0.37 0.00 -1.08 0.00 0.00 179.45 178.06 2j8p h ALA 538 N 1.94 1.18 -0.98 3.86 0.00 -1.76 -2.69 119.26 120.81 2j8p h ALA 538 Ca -0.00 -0.34 0.22 0.00 0.00 0.00 0.00 54.91 54.79 2j8p h ALA 538 Cb 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 2j8p h ALA 538 CO 0.01 0.46 0.62 0.00 0.00 0.00 0.00 179.25 180.34 2j8p h ALA 539 N 1.63 2.01 -0.23 0.00 0.00 -1.24 2.20 119.26 123.64 2j8p h ALA 539 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2j8p h ALA 539 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2j8p h ALA 539 CO 0.05 -0.37 0.05 1.25 0.00 0.00 0.00 179.25 180.23 2j8p h LEU 540 N 0.54 0.29 0.00 0.00 5.85 -1.62 -1.02 115.31 119.35 2j8p h LEU 540 Ca 0.55 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2j8p h LEU 540 Cb 1.17 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2j8p h LEU 540 CO -0.29 0.31 -1.18 -0.38 -0.34 0.00 0.00 178.44 176.56 2j8p n ILE 541 N -4.40 0.14 0.05 4.05 2.08 0.37 -4.11 119.36 117.55 2j8p n ILE 541 Ca 0.00 -0.27 0.09 0.00 0.56 0.00 0.00 62.75 63.14 2j8p n ILE 541 Cb 0.15 0.25 0.54 0.00 -0.75 0.00 0.00 39.64 39.83 2j8p n ILE 541 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 2j8p h MET 542 N 0.00 0.28 -0.64 0.38 4.05 0.45 -0.23 114.93 119.21 2j8p h MET 542 Ca 0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 2j8p h MET 542 Cb 0.76 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.47 2j8p h MET 542 CO 0.00 0.18 0.35 -0.56 0.23 0.00 0.00 176.91 177.11 2j8p h GLN 543 N 0.28 0.89 -0.22 0.39 3.07 -1.69 2.28 115.11 120.12 2j8p h GLN 543 Ca 0.16 -0.10 -0.14 0.00 0.09 0.00 0.00 58.65 58.65 2j8p h GLN 543 Cb 0.26 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2j8p h GLN 543 CO -0.03 0.68 -0.42 0.28 0.09 0.00 0.00 178.83 179.42 2j8p h VAL 544 N 0.87 1.32 -0.40 1.86 2.07 -1.48 -2.82 116.25 117.67 2j8p h VAL 544 Ca 0.23 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2j8p h VAL 544 Cb 0.04 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2j8p h VAL 544 CO -0.04 0.51 0.00 0.18 0.02 0.00 0.00 177.57 178.25 2j8p n LEU 545 N -4.21 4.13 -0.07 2.57 4.77 -0.22 -3.93 117.00 120.05 2j8p n LEU 545 Ca -0.06 -2.09 0.14 0.00 -0.03 0.00 0.00 56.01 53.97 2j8p n LEU 545 Cb 0.55 -0.61 0.54 0.00 -2.33 0.00 0.00 43.42 41.56 2j8p n LEU 545 CO 0.46 0.51 0.80 0.00 -1.33 0.00 0.00 177.39 177.84 2j8p n GLN 546 N 0.45 0.40 -0.64 3.23 1.13 0.77 -3.37 117.38 119.34 2j8p n GLN 546 Ca 0.19 -0.14 0.50 0.00 -1.94 0.00 0.00 57.00 55.61 2j8p n GLN 546 Cb 0.87 -1.50 0.76 0.00 0.11 0.00 0.00 30.24 30.48 2j8p n GLN 546 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2j8p n LEU 547 N -1.18 0.00 0.00 1.08 0.00 -1.25 -3.24 117.00 112.41 2j8p n LEU 547 Ca 0.11 0.95 0.00 0.00 0.00 0.00 0.00 56.01 57.07 2j8p n LEU 547 Cb 0.30 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 43.26 2j8p n LEU 547 CO 0.27 -0.95 -0.12 0.41 0.00 0.00 0.00 177.39 177.00 2j8p n THR 548 N -3.80 0.00 0.00 1.96 -1.04 -1.26 -5.02 114.28 105.12 2j8p n THR 548 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 2j8p n THR 548 Cb 1.93 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 69.72 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 -2.60 0.00 -0.24 2.41 0.00 -1.20 -4.76 120.51 114.11 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 0.12 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.80 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 0.89 -0.39 0.00 1.82 -1.91 1.57 116.42 118.40 2j8p h ASP 550 Ca 0.00 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 2j8p h ASP 550 Cb 0.00 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 2j8p h ASP 550 CO 0.00 0.64 0.17 1.56 -1.61 0.00 0.00 179.24 180.00 2j8p h GLN 551 N 1.05 0.57 -0.08 0.28 4.20 -1.89 0.91 115.11 120.16 2j8p h GLN 551 Ca 0.30 -0.09 -0.21 0.00 0.06 0.00 0.00 58.65 58.71 2j8p h GLN 551 Cb -0.08 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.61 2j8p h GLN 551 CO -0.07 0.52 -0.76 0.82 -0.67 0.00 0.00 178.83 178.67 2j8p h ILE 552 N 0.49 1.32 0.00 2.54 1.08 -1.63 -2.91 117.51 118.40 2j8p h ILE 552 Ca 0.13 -2.03 -0.00 0.00 -0.39 0.00 0.00 64.86 62.57 2j8p h ILE 552 Cb 0.15 2.24 -0.00 0.00 -3.07 0.00 0.00 36.82 36.14 2j8p h ILE 552 CO -0.01 0.62 -0.00 0.00 -0.69 0.00 0.00 178.15 178.06 2j8p h ALA 553 N 0.45 1.22 -0.00 1.87 0.00 0.24 0.41 119.26 123.45 2j8p h ALA 553 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2j8p h ALA 553 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2j8p h ALA 553 CO 0.15 0.01 -0.03 -1.33 0.00 0.00 0.00 179.25 178.05 2j8p n MET 554 N -3.41 0.03 -4.05 0.00 2.81 0.30 -4.79 117.12 108.02 2j8p n MET 554 Ca -0.03 -0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.54 2j8p n MET 554 Cb 0.09 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.97 3.95 1.03 4.03 1.43 0.14 -5.09 118.68 121.21 2j8p s LEU 555 Ca 0.15 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 2j8p s LEU 555 Cb 0.19 -2.45 0.21 0.00 0.03 0.00 0.00 46.19 44.17 2j8p s LEU 555 CO 0.53 0.23 1.19 -2.16 0.23 0.00 0.00 176.35 176.37 2j8p s PRO 556 N -2.05 0.16 0.10 1.29 0.04 -1.26 -4.75 135.00 128.53 2j8p s PRO 556 Ca 0.27 -0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.13 2j8p s PRO 556 Cb -0.12 -1.76 -0.16 0.00 0.04 0.00 0.00 34.50 32.50 2j8p s PRO 556 CO 0.19 -2.79 1.27 -1.00 0.04 0.00 0.00 177.00 174.71 2j8p h PRO 557 N -1.92 0.64 0.00 0.56 0.13 -1.95 0.75 132.00 130.21 2j8p h PRO 557 Ca -0.46 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.04 2j8p h PRO 557 Cb 1.29 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.58 2j8p h PRO 557 CO 0.44 1.23 0.00 -1.91 -0.23 0.00 0.00 178.00 177.53 2j8p n GLU 558 N -3.85 0.18 -0.02 0.86 2.13 -1.26 -2.73 120.64 115.96 2j8p n GLU 558 Ca -0.09 0.16 -0.02 0.00 0.66 0.00 0.00 57.16 57.88 2j8p n GLU 558 Cb 0.82 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.01 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 -1.30 1.51 -0.37 5.31 6.02 -1.11 -4.71 117.38 122.74 2j8p n GLN 559 Ca 0.06 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 57.01 2j8p n GLN 559 Cb 0.11 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 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 -0.04 -1.12 -1.09 2.43 0.73 1.74 114.38 117.03 2j8p h ARG 560 Ca -0.09 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.40 2j8p h ARG 560 Cb 1.16 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.63 2j8p h ARG 560 CO -0.01 -0.02 0.75 0.37 -1.51 0.00 0.00 179.97 179.55 2j8p h GLN 561 N -0.04 0.23 -1.27 0.20 -0.00 -1.64 0.51 115.11 113.11 2j8p h GLN 561 Ca 0.26 -0.01 0.37 0.00 -0.00 0.00 0.00 58.65 59.27 2j8p h GLN 561 Cb 0.54 -0.05 -0.09 0.00 0.00 0.00 0.00 27.48 27.88 2j8p h GLN 561 CO -0.93 0.15 0.86 1.03 0.00 0.00 0.00 178.83 179.95 2j8p h SER 562 N 0.24 0.20 -0.83 -0.69 0.87 0.24 1.62 113.55 115.19 2j8p h SER 562 Ca 0.62 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 61.22 2j8p h SER 562 Cb 1.87 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.83 2j8p h SER 562 CO -0.23 -0.02 0.46 0.40 -0.53 0.00 0.00 176.83 176.91 2j8p h ILE 563 N 0.14 1.24 -0.44 2.23 1.08 -0.01 0.13 117.51 121.89 2j8p h ILE 563 Ca 0.68 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2j8p h ILE 563 Cb 2.28 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 2j8p h ILE 563 CO -0.21 0.28 0.25 0.25 -0.69 0.00 0.00 178.15 178.03 2j8p h LEU 564 N 1.17 0.52 -0.11 1.44 6.46 0.22 1.12 115.31 126.14 2j8p h LEU 564 Ca 0.30 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.94 2j8p h LEU 564 Cb 0.03 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 2j8p h LEU 564 CO -0.05 0.41 -0.27 0.40 -0.62 0.00 0.00 178.44 178.31 2j8p h ILE 565 N 0.60 1.39 -0.30 4.05 1.08 -0.88 0.86 117.51 124.30 2j8p h ILE 565 Ca 0.16 -1.58 -0.04 0.00 -0.39 0.00 0.00 64.86 63.01 2j8p h ILE 565 Cb -0.00 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2j8p h ILE 565 CO -0.03 0.46 0.03 0.25 -0.69 0.00 0.00 178.15 178.18 2j8p h LEU 566 N -0.05 0.49 -0.68 1.44 6.46 -0.32 -1.15 115.31 121.50 2j8p h LEU 566 Ca -0.00 -0.28 -0.13 0.00 -0.12 0.00 0.00 57.88 57.35 2j8p h LEU 566 Cb 0.88 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2j8p h LEU 566 CO 0.06 0.64 -0.39 0.50 -0.62 0.00 0.00 178.44 178.63 2j8p h LYS 567 N 0.32 0.57 -0.54 1.25 3.11 0.13 -2.72 116.57 118.69 2j8p h LYS 567 Ca 0.09 -0.29 -0.00 0.00 -2.81 0.00 0.00 60.65 57.64 2j8p h LYS 567 Cb 0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.58 2j8p h LYS 567 CO 0.01 0.87 0.32 1.49 -2.81 0.00 0.00 179.45 179.33 2j8p h GLU 568 N 0.48 0.73 -0.54 1.90 4.81 0.10 -1.52 114.58 120.54 2j8p h GLU 568 Ca 0.04 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2j8p h GLU 568 Cb 0.89 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2j8p h GLU 568 CO 0.08 0.52 0.04 1.96 -0.73 0.00 0.00 179.01 180.88 2j8p h GLN 569 N 0.74 0.89 -0.65 1.92 1.08 -0.90 -2.21 115.11 115.99 2j8p h GLN 569 Ca 0.20 -0.24 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2j8p h GLN 569 Cb -0.02 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.27 2j8p h GLN 569 CO -0.04 0.86 0.43 0.82 -0.95 0.00 0.00 178.83 179.95 2j8p h ILE 570 N 0.84 1.08 -0.23 2.54 2.04 -1.15 0.33 117.51 122.96 2j8p h ILE 570 Ca 0.16 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2j8p h ILE 570 Cb 0.44 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2j8p h ILE 570 CO 0.02 0.14 0.05 1.56 0.00 0.00 0.00 178.15 179.92 2j8p h GLN 571 N 0.76 0.33 -6.20 2.37 1.08 -1.16 -3.41 115.11 108.88 2j8p h GLN 571 Ca 0.26 -0.04 -0.56 0.00 -1.45 0.00 0.00 58.65 56.85 2j8p h GLN 571 Cb 0.09 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2j8p h GLN 571 CO -0.07 0.31 0.78 0.21 -0.95 0.00 0.00 178.83 179.11 2j8p s LYS 572 N -5.10 4.30 -0.28 1.46 2.20 0.10 -4.93 119.74 117.49 2j8p s LYS 572 Ca -0.07 1.58 -0.28 0.00 -0.36 0.00 0.00 55.97 56.85 2j8p s LYS 572 Cb 0.16 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2j8p s LYS 572 CO 0.72 -0.56 2.22 -1.12 -0.36 0.00 0.00 175.35 176.25 2j8p s SER 573 N 1.57 5.29 -0.01 1.43 0.01 -1.26 -4.87 113.70 115.86 2j8p s SER 573 Ca 0.52 1.68 -0.32 0.00 1.31 0.00 0.00 55.95 59.14 2j8p s SER 573 Cb -0.21 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 2j8p s SER 573 CO 0.16 -2.13 1.92 0.41 0.41 0.00 0.00 173.24 174.02 2j8p n THR 574 N 7.78 0.65 0.00 1.44 -1.04 -1.26 -4.91 114.28 116.95 2j8p n THR 574 Ca 0.30 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2j8p n THR 574 Cb 0.47 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 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 4.45 1.42 2.97 3.41 0.00 -1.26 -5.10 105.19 111.08 2j8p n GLY 575 Ca 0.21 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.32 3.54 -2.00 4.61 0.00 -1.26 -5.26 121.76 120.07 2j8p s ALA 576 Ca 0.00 -3.46 0.24 0.00 0.00 0.00 0.00 51.96 48.74 2j8p s ALA 576 Cb 0.00 -2.28 1.44 0.00 0.00 0.00 0.00 23.12 22.27 2j8p s ALA 576 CO 0.00 -2.06 1.80 -0.35 0.00 0.00 0.00 175.76 175.15