#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8p h MET 530 N 0.00 0.54 0.00 -0.41 2.07 -2.02 -3.49 114.93 111.61 2j8p h MET 530 Ca 0.00 -0.19 0.17 0.00 -2.07 0.00 0.00 59.70 57.61 2j8p h MET 530 Cb 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 29.65 2j8p h MET 530 CO 0.00 0.72 -0.23 0.25 1.07 0.00 0.00 176.91 178.72 2j8p n THR 531 N -4.14 0.00 0.30 2.22 -2.24 -1.26 -1.96 114.28 107.21 2j8p n THR 531 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2j8p n THR 531 Cb 0.39 -0.21 0.44 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 0.00 -0.44 -0.78 0.13 -2.01 -3.07 132.00 125.83 2j8p h PRO 532 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 2j8p h PRO 532 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2j8p h PRO 532 CO 0.00 0.00 -0.17 0.37 -0.23 0.00 0.00 178.00 177.97 2j8p h GLN 533 N 0.00 0.85 -0.90 0.86 -0.00 -1.97 -2.18 115.11 111.77 2j8p h GLN 533 Ca 0.00 -0.33 0.03 0.00 -0.00 0.00 0.00 58.65 58.35 2j8p h GLN 533 Cb 0.70 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.09 2j8p h GLN 533 CO 0.00 0.96 0.59 0.22 0.00 0.00 0.00 178.83 180.61 2j8p h ASP 534 N 0.75 0.99 0.70 -0.69 3.58 -1.29 0.85 116.42 121.32 2j8p h ASP 534 Ca 0.11 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2j8p h ASP 534 Cb 0.70 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2j8p h ASP 534 CO 0.05 0.69 -0.36 0.45 -2.88 0.00 0.00 179.24 177.20 2j8p h HIS 535 N 1.16 0.00 -0.20 0.28 3.86 -1.58 -1.89 115.15 116.78 2j8p h HIS 535 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2j8p h HIS 535 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2j8p h HIS 535 CO -0.00 0.36 0.00 -1.91 0.86 0.00 0.00 177.93 177.24 2j8p n GLU 536 N -3.65 1.54 0.25 2.45 4.07 0.22 -3.29 120.64 122.23 2j8p n GLU 536 Ca -0.01 -0.83 0.13 0.00 -0.06 0.00 0.00 57.16 56.39 2j8p n GLU 536 Cb 0.47 -1.24 0.58 0.00 -0.06 0.00 0.00 31.44 31.19 2j8p n GLU 536 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2j8p h LYS 537 N 1.44 0.00 -0.18 5.31 1.79 -0.52 -2.34 116.57 122.06 2j8p h LYS 537 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2j8p h LYS 537 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2j8p h LYS 537 CO 0.00 0.13 -0.07 0.00 -1.08 0.00 0.00 179.45 178.43 2j8p h ALA 538 N 1.87 1.54 -0.88 3.86 0.00 -1.77 -1.61 119.26 122.27 2j8p h ALA 538 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 538 Cb 0.61 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2j8p h ALA 538 CO 0.02 0.33 0.57 0.00 0.00 0.00 0.00 179.25 180.16 2j8p h ALA 539 N 1.66 1.71 -0.13 0.00 0.00 -1.70 2.05 119.26 122.86 2j8p h ALA 539 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2j8p h ALA 539 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2j8p h ALA 539 CO 0.01 0.09 -0.41 1.25 0.00 0.00 0.00 179.25 180.19 2j8p h LEU 540 N 0.80 0.32 0.00 0.00 5.85 -1.44 -2.50 115.31 118.35 2j8p h LEU 540 Ca 0.42 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 2j8p h LEU 540 Cb 0.51 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2j8p h LEU 540 CO -0.18 0.70 -0.64 0.40 -0.34 0.00 0.00 178.44 178.38 2j8p h ILE 541 N 0.25 0.42 -0.68 4.05 1.08 -0.27 -3.28 117.51 119.07 2j8p h ILE 541 Ca 0.02 -1.65 0.08 0.00 -0.39 0.00 0.00 64.86 62.92 2j8p h ILE 541 Cb 0.84 2.08 -0.04 0.00 -3.07 0.00 0.00 36.82 36.62 2j8p h ILE 541 CO 0.07 0.24 0.45 -0.03 -0.69 0.00 0.00 178.15 178.19 2j8p h MET 542 N 0.00 0.62 -0.34 2.37 1.85 0.36 -0.56 114.93 119.22 2j8p h MET 542 Ca -0.03 -0.04 -0.14 0.00 -0.61 0.00 0.00 59.70 58.88 2j8p h MET 542 Cb 1.26 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 2j8p h MET 542 CO 0.03 0.41 -0.36 1.96 -0.40 0.00 0.00 176.91 178.55 2j8p h GLN 543 N 0.63 0.79 -0.31 0.39 4.20 -1.61 -2.50 115.11 116.71 2j8p h GLN 543 Ca 0.30 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2j8p h GLN 543 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2j8p h GLN 543 CO -0.10 1.02 0.10 0.28 -0.67 0.00 0.00 178.83 179.46 2j8p h VAL 544 N 0.65 1.14 0.00 -0.54 2.07 -1.27 -3.24 116.25 115.06 2j8p h VAL 544 Ca 0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2j8p h VAL 544 Cb 0.92 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2j8p h VAL 544 CO 0.08 0.17 0.00 -0.11 0.02 0.00 0.00 177.57 177.73 2j8p n LEU 545 N -4.39 0.00 -0.03 2.57 7.94 -0.74 -4.82 117.00 117.53 2j8p n LEU 545 Ca 0.01 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.93 2j8p n LEU 545 Cb 0.15 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.00 2j8p n LEU 545 CO 0.37 0.00 -0.76 0.00 -1.11 0.00 0.00 177.39 175.89 2j8p n GLN 546 N 0.00 1.08 -1.40 1.96 -0.00 -1.21 -5.09 117.38 112.72 2j8p n GLN 546 Ca 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.00 56.93 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 1.47 0.00 0.00 0.00 177.06 178.53 2j8p n LEU 547 N -2.17 -2.16 0.00 2.61 -0.00 -0.97 -5.01 117.00 109.30 2j8p n LEU 547 Ca -0.10 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2j8p n LEU 547 Cb 0.58 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2j8p n LEU 547 CO 0.27 -0.14 0.00 0.41 -0.00 0.00 0.00 177.39 177.93 2j8p n THR 548 N 0.06 0.00 0.00 1.47 -1.04 -1.26 -5.01 114.28 108.50 2j8p n THR 548 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2j8p n THR 548 Cb 0.02 0.00 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 -1.44 0.00 -0.20 2.41 0.00 -1.26 -4.73 120.51 115.29 2j8p n ALA 549 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2j8p n ALA 549 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 0.79 -0.44 0.00 1.82 -1.97 0.96 116.42 117.59 2j8p h ASP 550 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2j8p h ASP 550 Cb 0.00 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.80 2j8p h ASP 550 CO 0.00 0.56 0.25 1.56 -1.61 0.00 0.00 179.24 180.00 2j8p h GLN 551 N 0.93 0.60 -0.00 0.28 4.20 -1.98 -0.89 115.11 118.24 2j8p h GLN 551 Ca 0.28 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 2j8p h GLN 551 Cb -0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2j8p h GLN 551 CO -0.07 0.46 -0.81 0.82 -0.67 0.00 0.00 178.83 178.56 2j8p h ILE 552 N 0.57 1.55 -0.70 2.54 5.03 -1.69 -3.06 117.51 121.75 2j8p h ILE 552 Ca 0.15 -2.68 0.01 0.00 -0.12 0.00 0.00 64.86 62.22 2j8p h ILE 552 Cb 0.03 2.46 -0.04 0.00 -3.03 0.00 0.00 36.82 36.24 2j8p h ILE 552 CO -0.03 0.77 0.47 0.00 -0.68 0.00 0.00 178.15 178.68 2j8p h ALA 553 N 1.15 1.51 0.00 1.87 0.00 0.15 0.22 119.26 124.16 2j8p h ALA 553 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 553 Cb 1.42 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2j8p h ALA 553 CO 0.11 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2j8p n MET 554 N -4.43 0.94 -4.16 0.00 0.00 -0.39 -4.78 117.12 104.31 2j8p n MET 554 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.46 2j8p n MET 554 Cb 0.05 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.69 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 -2.05 3.67 1.01 3.17 1.43 0.77 -5.10 118.68 121.58 2j8p s LEU 555 Ca 0.46 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 2j8p s LEU 555 Cb 0.22 -2.22 0.20 0.00 0.03 0.00 0.00 46.19 44.42 2j8p s LEU 555 CO 0.37 0.24 1.18 -2.16 0.23 0.00 0.00 176.35 176.21 2j8p s PRO 556 N -1.92 0.30 0.11 1.29 0.04 -1.26 -4.73 135.00 128.83 2j8p s PRO 556 Ca 0.24 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.17 2j8p s PRO 556 Cb -0.12 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 2j8p s PRO 556 CO 0.15 -2.71 1.28 -1.00 0.04 0.00 0.00 177.00 174.77 2j8p h PRO 557 N -1.86 0.59 0.00 0.56 0.13 -1.94 1.27 132.00 130.75 2j8p h PRO 557 Ca -0.47 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.08 2j8p h PRO 557 Cb 1.29 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2j8p h PRO 557 CO 0.47 1.20 0.00 -1.91 -0.23 0.00 0.00 178.00 177.52 2j8p n GLU 558 N -3.83 0.15 -0.01 0.86 4.07 -1.26 -2.84 120.64 117.77 2j8p n GLU 558 Ca -0.08 0.18 -0.01 0.00 -0.06 0.00 0.00 57.16 57.20 2j8p n GLU 558 Cb 0.82 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.69 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2j8p n GLN 559 N -1.34 1.76 0.00 5.31 6.02 -1.11 -4.59 117.38 123.43 2j8p n GLN 559 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2j8p n GLN 559 Cb 0.12 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.36 2j8p n GLN 559 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2j8p n ARG 560 N -2.31 0.00 -0.34 -1.09 0.63 0.43 -0.28 116.66 113.71 2j8p n ARG 560 Ca -0.02 0.81 0.29 0.00 -0.92 0.00 0.00 57.85 58.01 2j8p n ARG 560 Cb 0.53 -1.44 0.62 0.00 0.45 0.00 0.00 32.46 32.61 2j8p n ARG 560 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2j8p h GLN 561 N 0.00 0.21 -1.26 -0.14 4.15 -1.57 0.38 115.11 116.88 2j8p h GLN 561 Ca 0.00 -0.01 0.39 0.00 0.77 0.00 0.00 58.65 59.80 2j8p h GLN 561 Cb 0.00 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 27.53 2j8p h GLN 561 CO 0.00 0.14 0.82 1.03 -1.93 0.00 0.00 178.83 178.88 2j8p h SER 562 N 0.21 0.28 -0.54 -0.69 0.87 -0.89 1.51 113.55 114.30 2j8p h SER 562 Ca 0.61 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 61.27 2j8p h SER 562 Cb 1.92 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.94 2j8p h SER 562 CO -0.20 -0.10 0.27 -0.29 -0.53 0.00 0.00 176.83 175.98 2j8p h ILE 563 N 0.16 1.19 -0.88 2.23 2.10 -0.11 0.37 117.51 122.58 2j8p h ILE 563 Ca 0.75 -0.52 0.02 0.00 1.08 0.00 0.00 64.86 66.19 2j8p h ILE 563 Cb 2.31 0.55 -0.05 0.00 -1.09 0.00 0.00 36.82 38.54 2j8p h ILE 563 CO -0.36 0.21 0.58 0.25 -1.08 0.00 0.00 178.15 177.76 2j8p h LEU 564 N 0.72 0.99 -0.22 2.19 6.46 0.20 0.92 115.31 126.57 2j8p h LEU 564 Ca 0.19 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 2j8p h LEU 564 Cb 0.09 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2j8p h LEU 564 CO -0.03 0.71 -0.23 0.40 -0.62 0.00 0.00 178.44 178.67 2j8p h ILE 565 N 1.17 1.32 -0.58 4.05 2.04 -0.54 0.20 117.51 125.17 2j8p h ILE 565 Ca 0.33 -1.41 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 2j8p h ILE 565 Cb -0.09 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2j8p h ILE 565 CO -0.08 0.43 0.11 0.25 0.00 0.00 0.00 178.15 178.86 2j8p h LEU 566 N 0.24 0.87 -0.39 1.44 6.46 0.49 -0.74 115.31 123.68 2j8p h LEU 566 Ca 0.03 -0.18 -0.14 0.00 -0.12 0.00 0.00 57.88 57.47 2j8p h LEU 566 Cb 0.79 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2j8p h LEU 566 CO 0.06 0.87 -0.30 0.50 -0.62 0.00 0.00 178.44 178.95 2j8p h LYS 567 N 0.88 0.90 -0.48 1.25 1.63 0.97 -2.82 116.57 118.90 2j8p h LYS 567 Ca 0.18 -0.44 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 2j8p h LYS 567 Cb 0.37 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2j8p h LYS 567 CO 0.01 1.09 0.23 1.05 -3.45 0.00 0.00 179.45 178.38 2j8p h GLU 568 N 0.71 0.67 -0.75 1.90 -0.00 -0.14 -1.75 114.58 115.21 2j8p h GLU 568 Ca 0.07 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 2j8p h GLU 568 Cb 0.89 -0.13 -0.04 0.00 -0.00 0.00 0.00 28.75 29.47 2j8p h GLU 568 CO 0.08 0.52 0.37 1.96 -0.00 0.00 0.00 179.01 181.94 2j8p h GLN 569 N 0.67 1.07 -0.84 1.06 4.20 -0.90 -1.95 115.11 118.42 2j8p h GLN 569 Ca 0.17 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2j8p h GLN 569 Cb 0.07 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 2j8p h GLN 569 CO -0.02 0.82 0.55 0.82 -0.67 0.00 0.00 178.83 180.33 2j8p h ILE 570 N 1.07 1.19 -0.92 2.54 2.04 -1.14 -1.67 117.51 120.62 2j8p h ILE 570 Ca 0.26 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2j8p h ILE 570 Cb 0.10 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 2j8p h ILE 570 CO -0.03 0.20 0.53 1.56 0.00 0.00 0.00 178.15 180.40 2j8p h GLN 571 N 1.11 1.26 -7.38 2.37 4.20 -1.17 -3.43 115.11 112.08 2j8p h GLN 571 Ca 0.32 -0.13 -0.50 0.00 0.06 0.00 0.00 58.65 58.40 2j8p h GLN 571 Cb -0.08 -0.26 0.10 0.00 0.30 0.00 0.00 27.48 27.54 2j8p h GLN 571 CO -0.08 0.90 0.36 0.21 -0.67 0.00 0.00 178.83 179.55 2j8p s LYS 572 N -5.90 2.54 -0.12 1.46 2.20 -0.63 -4.95 119.74 114.35 2j8p s LYS 572 Ca -0.13 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 2j8p s LYS 572 Cb 0.17 -1.96 -0.05 0.00 -1.51 0.00 0.00 37.83 34.48 2j8p s LYS 572 CO 0.83 -1.33 1.69 0.45 -0.36 0.00 0.00 175.35 176.62 2j8p s SER 573 N -3.87 6.48 0.44 1.43 0.15 -1.26 -4.92 113.70 112.14 2j8p s SER 573 Ca 0.59 2.01 -0.23 0.00 0.70 0.00 0.00 55.95 59.02 2j8p s SER 573 Cb -0.14 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 2j8p s SER 573 CO 0.54 -1.12 0.87 0.41 1.20 0.00 0.00 173.24 175.15 2j8p n THR 574 N 5.96 2.40 0.00 6.45 -1.04 -1.26 -4.68 114.28 122.11 2j8p n THR 574 Ca 0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2j8p n THR 574 Cb 0.44 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 1.36 -1.75 3.61 3.41 0.00 -1.26 -5.15 105.19 105.42 2j8p n GLY 575 Ca 0.10 0.61 -0.32 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 -1.16 1.50 4.61 0.00 -1.26 -5.31 120.51 118.89 2j8p n ALA 576 Ca 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.01 2j8p n ALA 576 Cb 0.00 -2.11 0.71 0.00 0.00 0.00 0.00 19.45 18.05 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15