#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 -0.76 -0.41 2.00 -1.26 -4.84 117.12 111.84 2j8p n MET 530 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 2j8p n MET 530 Cb 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 33.22 31.84 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 4.43 0.00 0.59 2.03 -2.24 -1.26 -4.80 114.28 113.02 2j8p n THR 531 Ca 0.35 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 2j8p n THR 531 Cb -0.06 -0.31 0.46 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.03 0.16 -0.12 -0.78 -0.04 -1.26 -2.99 135.00 129.94 2j8p n PRO 532 Ca 0.01 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2j8p n PRO 532 Cb 0.56 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.93 -0.48 0.54 -0.00 -1.96 0.24 115.11 114.38 2j8p h GLN 533 Ca 0.00 -0.48 -0.09 0.00 -0.00 0.00 0.00 58.65 58.08 2j8p h GLN 533 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 2j8p h GLN 533 CO 0.00 1.14 -0.05 0.22 0.00 0.00 0.00 178.83 180.14 2j8p h ASP 534 N 0.75 0.81 0.75 -0.69 3.58 -1.85 -2.04 116.42 117.73 2j8p h ASP 534 Ca 0.06 -0.22 -0.11 0.00 0.42 0.00 0.00 57.03 57.18 2j8p h ASP 534 Cb 0.96 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2j8p h ASP 534 CO 0.09 0.91 -0.53 0.45 -2.88 0.00 0.00 179.24 177.29 2j8p h HIS 535 N 0.76 0.00 -0.06 0.28 3.86 -1.57 -2.33 115.15 116.09 2j8p h HIS 535 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2j8p h HIS 535 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2j8p h HIS 535 CO 0.03 0.53 0.00 -1.91 0.86 0.00 0.00 177.93 177.44 2j8p n GLU 536 N -3.66 1.23 0.28 2.45 2.13 0.06 -3.47 120.64 119.66 2j8p n GLU 536 Ca -0.01 -0.35 0.16 0.00 0.66 0.00 0.00 57.16 57.62 2j8p n GLU 536 Cb 0.58 -1.29 0.84 0.00 0.27 0.00 0.00 31.44 31.85 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 0.68 0.00 -0.28 5.31 1.79 -0.87 -0.87 116.57 122.32 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 0.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2j8p h LYS 537 CO 0.00 0.07 -0.15 0.00 -1.08 0.00 0.00 179.45 178.28 2j8p h ALA 538 N 1.93 1.22 -0.26 3.86 0.00 -1.72 -1.90 119.26 122.39 2j8p h ALA 538 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2j8p h ALA 538 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2j8p h ALA 538 CO 0.01 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2j8p h ALA 539 N 1.39 1.52 -0.01 0.00 0.00 -1.43 1.86 119.26 122.59 2j8p h ALA 539 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2j8p h ALA 539 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2j8p h ALA 539 CO 0.03 0.35 -0.22 1.25 0.00 0.00 0.00 179.25 180.67 2j8p h LEU 540 N 0.38 0.02 -1.99 0.00 5.85 -1.35 -1.71 115.31 116.51 2j8p h LEU 540 Ca 0.09 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2j8p h LEU 540 Cb 0.26 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2j8p h LEU 540 CO 0.01 0.24 0.00 -0.38 -0.34 0.00 0.00 178.44 177.96 2j8p n ILE 541 N -4.27 0.35 0.14 4.05 5.41 -0.26 -4.45 119.36 120.34 2j8p n ILE 541 Ca -0.02 -0.68 0.02 0.00 1.00 0.00 0.00 62.75 63.07 2j8p n ILE 541 Cb 0.28 1.00 0.35 0.00 -0.71 0.00 0.00 39.64 40.56 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 2.53 0.14 -0.22 0.38 1.85 0.38 -1.20 114.93 118.78 2j8p h MET 542 Ca 0.00 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.04 2j8p h MET 542 Cb 0.63 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.64 2j8p h MET 542 CO 0.00 0.42 0.14 1.96 -0.40 0.00 0.00 176.91 179.03 2j8p h GLN 543 N 0.12 0.30 -0.14 0.39 7.50 -1.78 -1.27 115.11 120.24 2j8p h GLN 543 Ca 0.02 -0.02 -0.13 0.00 0.50 0.00 0.00 58.65 59.01 2j8p h GLN 543 Cb 0.58 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 2j8p h GLN 543 CO 0.04 0.23 -0.49 0.28 -1.50 0.00 0.00 178.83 177.39 2j8p h VAL 544 N 0.28 1.33 0.00 -0.54 2.07 -1.82 -1.62 116.25 115.96 2j8p h VAL 544 Ca 0.08 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2j8p h VAL 544 Cb 0.00 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2j8p h VAL 544 CO -0.02 0.52 0.00 -0.11 0.02 0.00 0.00 177.57 177.99 2j8p n LEU 545 N -3.97 0.00 -0.04 2.57 -0.00 -0.47 -4.60 117.00 110.49 2j8p n LEU 545 Ca -0.02 0.09 -0.01 0.00 -0.00 0.00 0.00 56.01 56.06 2j8p n LEU 545 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.87 2j8p n LEU 545 CO 0.44 0.00 -0.82 0.00 -0.00 0.00 0.00 177.39 177.01 2j8p n GLN 546 N -0.11 1.38 -0.21 1.96 3.00 -0.88 -5.00 117.38 117.52 2j8p n GLN 546 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2j8p n GLN 546 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 28.92 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 -2.29 -0.04 -3.71 1.08 0.00 -0.53 -5.01 117.00 106.50 2j8p n LEU 547 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.73 2j8p n LEU 547 Cb 0.71 -0.08 -0.09 0.00 0.00 0.00 0.00 43.42 43.96 2j8p n LEU 547 CO 0.27 0.00 0.13 -0.89 0.00 0.00 0.00 177.39 176.90 2j8p s THR 548 N -2.00 0.02 -0.16 1.96 2.01 -1.24 -4.88 115.64 111.34 2j8p s THR 548 Ca 0.00 -0.17 0.18 0.00 0.31 0.00 0.00 61.69 62.02 2j8p s THR 548 Cb 0.00 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.77 2j8p s THR 548 CO 0.00 -0.09 0.95 0.00 -0.69 0.00 0.00 174.62 174.79 2j8p h ALA 549 N 4.56 0.62 -0.89 7.40 0.00 -1.96 -3.31 119.26 125.68 2j8p h ALA 549 Ca -0.28 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2j8p h ALA 549 Cb 1.17 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2j8p h ALA 549 CO 0.31 0.64 0.57 0.22 0.00 0.00 0.00 179.25 180.99 2j8p h ASP 550 N 0.00 1.04 -0.41 0.00 3.58 -1.98 0.42 116.42 119.07 2j8p h ASP 550 Ca -0.10 -0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 2j8p h ASP 550 Cb 1.40 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2j8p h ASP 550 CO 0.03 0.77 -0.28 1.56 -2.88 0.00 0.00 179.24 178.45 2j8p h GLN 551 N 1.22 0.94 0.00 0.28 4.20 -2.00 -2.65 115.11 117.09 2j8p h GLN 551 Ca 0.32 -0.43 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2j8p h GLN 551 Cb -0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2j8p h GLN 551 CO -0.07 1.09 -0.41 0.82 -0.67 0.00 0.00 178.83 179.59 2j8p h ILE 552 N 0.79 1.07 0.00 2.54 1.08 -1.43 -2.25 117.51 119.31 2j8p h ILE 552 Ca 0.09 -1.54 -0.00 0.00 -0.39 0.00 0.00 64.86 63.02 2j8p h ILE 552 Cb 0.86 1.88 -0.00 0.00 -3.07 0.00 0.00 36.82 36.49 2j8p h ILE 552 CO 0.08 0.40 -0.01 0.00 -0.69 0.00 0.00 178.15 177.93 2j8p h ALA 553 N 1.59 1.27 -0.00 1.87 0.00 0.19 0.38 119.26 124.56 2j8p h ALA 553 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2j8p h ALA 553 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2j8p h ALA 553 CO 0.05 0.01 -0.02 -1.33 0.00 0.00 0.00 179.25 177.96 2j8p n MET 554 N -3.49 0.12 -3.91 0.00 2.81 -0.85 -4.79 117.12 107.02 2j8p n MET 554 Ca -0.03 -0.01 -0.33 0.00 -1.81 0.00 0.00 57.70 55.53 2j8p n MET 554 Cb 0.09 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.88 4.36 0.99 4.03 1.43 0.13 -5.11 118.68 121.63 2j8p s LEU 555 Ca 0.18 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 2j8p s LEU 555 Cb 0.19 -2.66 0.18 0.00 0.03 0.00 0.00 46.19 43.94 2j8p s LEU 555 CO 0.52 0.25 1.17 -2.16 0.23 0.00 0.00 176.35 176.36 2j8p s PRO 556 N -2.02 0.51 0.08 1.29 0.04 -1.26 -4.78 135.00 128.86 2j8p s PRO 556 Ca 0.28 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.24 2j8p s PRO 556 Cb -0.13 -1.79 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2j8p s PRO 556 CO 0.20 -2.58 1.23 -1.00 0.04 0.00 0.00 177.00 174.89 2j8p h PRO 557 N -1.77 0.73 0.00 0.56 0.13 -1.96 0.59 132.00 130.28 2j8p h PRO 557 Ca -0.48 -0.71 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 2j8p h PRO 557 Cb 1.30 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2j8p h PRO 557 CO 0.50 1.29 0.00 -1.91 -0.23 0.00 0.00 178.00 177.66 2j8p n GLU 558 N -3.91 0.03 -0.05 0.86 2.13 -1.26 -2.54 120.64 115.91 2j8p n GLU 558 Ca -0.10 0.31 -0.06 0.00 0.66 0.00 0.00 57.16 57.97 2j8p n GLU 558 Cb 0.82 -1.50 -0.05 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 -1.44 0.58 -0.18 5.31 6.02 -1.12 -4.42 117.38 122.13 2j8p n GLN 559 Ca 0.03 0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 2j8p n GLN 559 Cb 0.10 -1.19 -0.09 0.00 1.02 0.00 0.00 30.24 30.08 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 -0.31 -0.68 -1.09 2.43 0.48 0.41 114.38 115.61 2j8p h ARG 560 Ca -0.21 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2j8p h ARG 560 Cb 1.34 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.92 2j8p h ARG 560 CO -0.03 -0.21 0.45 0.37 -1.51 0.00 0.00 179.97 179.04 2j8p h GLN 561 N -0.33 0.64 -1.30 0.20 -0.00 -1.57 -0.73 115.11 112.03 2j8p h GLN 561 Ca 0.10 -0.04 0.39 0.00 -0.00 0.00 0.00 58.65 59.10 2j8p h GLN 561 Cb 0.57 -0.14 -0.09 0.00 0.00 0.00 0.00 27.48 27.81 2j8p h GLN 561 CO -0.65 0.42 0.87 1.03 0.00 0.00 0.00 178.83 180.50 2j8p h SER 562 N 0.66 0.21 -0.45 -0.69 0.87 -0.39 1.34 113.55 115.09 2j8p h SER 562 Ca 0.30 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.90 2j8p h SER 562 Cb 0.33 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2j8p h SER 562 CO -0.10 -0.05 0.15 -0.29 -0.53 0.00 0.00 176.83 176.02 2j8p h ILE 563 N 0.14 1.22 -0.60 2.23 2.10 -0.90 0.27 117.51 121.97 2j8p h ILE 563 Ca 0.72 -0.71 0.07 0.00 1.08 0.00 0.00 64.86 66.02 2j8p h ILE 563 Cb 2.36 0.83 -0.04 0.00 -1.09 0.00 0.00 36.82 38.89 2j8p h ILE 563 CO -0.24 0.26 0.40 0.25 -1.08 0.00 0.00 178.15 177.74 2j8p h LEU 564 N 0.59 0.46 -0.08 2.19 6.46 0.16 1.87 115.31 126.97 2j8p h LEU 564 Ca 0.15 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 2j8p h LEU 564 Cb 0.25 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2j8p h LEU 564 CO -0.01 0.29 -0.22 0.40 -0.62 0.00 0.00 178.44 178.29 2j8p h ILE 565 N 0.52 1.41 -0.31 4.05 2.04 -0.73 0.50 117.51 125.00 2j8p h ILE 565 Ca 0.27 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2j8p h ILE 565 Cb 0.37 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2j8p h ILE 565 CO -0.08 0.45 -0.02 0.25 0.00 0.00 0.00 178.15 178.75 2j8p h LEU 566 N -0.18 0.54 -0.92 1.44 5.85 0.23 -1.85 115.31 120.41 2j8p h LEU 566 Ca -0.00 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 2j8p h LEU 566 Cb 0.83 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2j8p h LEU 566 CO 0.05 0.73 -0.22 0.11 -0.34 0.00 0.00 178.44 178.77 2j8p h LYS 567 N 0.34 0.53 -0.60 1.25 6.56 0.28 -2.48 116.57 122.45 2j8p h LYS 567 Ca 0.08 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 2j8p h LYS 567 Cb 0.46 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.06 2j8p h LYS 567 CO 0.02 0.72 0.33 0.93 -2.06 0.00 0.00 179.45 179.39 2j8p h GLU 568 N 0.47 0.83 -0.84 3.15 4.39 0.32 -1.87 114.58 121.03 2j8p h GLU 568 Ca 0.07 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2j8p h GLU 568 Cb 0.65 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 2j8p h GLU 568 CO 0.05 0.61 0.47 1.96 -1.16 0.00 0.00 179.01 180.93 2j8p h GLN 569 N 0.84 1.17 -0.86 2.33 1.08 -0.86 -1.01 115.11 117.79 2j8p h GLN 569 Ca 0.22 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2j8p h GLN 569 Cb 0.02 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 2j8p h GLN 569 CO -0.04 0.85 0.57 0.82 -0.95 0.00 0.00 178.83 180.08 2j8p h ILE 570 N 1.17 1.22 -0.13 2.54 2.04 -1.26 -1.09 117.51 122.00 2j8p h ILE 570 Ca 0.30 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2j8p h ILE 570 Cb 0.02 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 2j8p h ILE 570 CO -0.05 0.21 -0.22 1.56 0.00 0.00 0.00 178.15 179.65 2j8p h GLN 571 N 1.16 0.22 -4.40 2.37 7.50 -0.99 -3.48 115.11 117.49 2j8p h GLN 571 Ca 0.31 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.40 2j8p h GLN 571 Cb -0.13 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.38 2j8p h GLN 571 CO -0.07 0.44 -0.65 1.63 -1.50 0.00 0.00 178.83 178.68 2j8p n LYS 572 N -4.20 -2.32 0.12 1.46 5.02 -0.41 -5.04 118.16 112.80 2j8p n LYS 572 Ca -0.01 2.02 0.00 0.00 -2.02 0.00 0.00 58.31 58.30 2j8p n LYS 572 Cb 0.33 -3.90 0.00 0.00 -0.02 0.00 0.00 35.03 31.45 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 0.46 -0.70 -1.88 4.39 2.88 -1.26 -5.08 113.62 112.45 2j8p n SER 573 Ca 0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2j8p n SER 573 Cb 0.00 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 -3.23-10.92 -3.65 2.46 -1.04 -1.26 -5.06 114.28 91.57 2j8p n THR 574 Ca 0.00 2.98 -0.05 0.00 -2.04 0.00 0.00 64.05 64.94 2j8p n THR 574 Cb 0.00 -4.78 -0.07 0.00 -1.82 0.00 0.00 70.33 63.66 2j8p n THR 574 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2j8p s GLY 575 N -0.82 -0.55 -0.50 3.41 0.00 -1.26 -5.11 107.32 102.50 2j8p s GLY 575 Ca 0.00 1.94 -0.00 0.00 0.00 0.00 0.00 44.72 46.66 2j8p s GLY 575 CO 0.00 2.69 0.28 0.00 0.00 0.00 0.00 173.10 176.07 2j8p s ALA 576 N 2.66 3.30 -2.00 3.20 0.00 -1.26 -5.29 121.76 122.37 2j8p s ALA 576 Ca -0.04 -2.96 0.24 0.00 0.00 0.00 0.00 51.96 49.19 2j8p s ALA 576 Cb -0.12 -2.37 1.43 0.00 0.00 0.00 0.00 23.12 22.06 2j8p s ALA 576 CO -0.16 -1.94 1.80 -0.35 0.00 0.00 0.00 175.76 175.11