#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 -0.87 -1.40 2.00 -1.26 -4.83 117.12 110.76 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 -1.38 0.09 0.00 0.00 0.00 0.00 33.22 31.93 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 3.32 0.00 0.24 2.03 -2.24 -1.26 -4.74 114.28 111.62 2j8p n THR 531 Ca 0.27 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 2j8p n THR 531 Cb -0.04 -0.24 0.40 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.44 0.00 -0.37 -0.78 0.13 -2.00 -3.08 132.00 124.47 2j8p h PRO 532 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2j8p h PRO 532 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 2j8p h PRO 532 CO 0.28 0.08 -0.37 0.37 -0.23 0.00 0.00 178.00 178.13 2j8p h GLN 533 N 0.00 0.90 -0.49 0.86 -0.00 -1.98 -1.84 115.11 112.57 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 0.81 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.29 2j8p h GLN 533 CO 0.01 1.13 -0.06 0.22 0.00 0.00 0.00 178.83 180.13 2j8p h ASP 534 N 0.71 0.85 0.55 -0.69 3.58 -1.86 -1.83 116.42 117.73 2j8p h ASP 534 Ca 0.06 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 2j8p h ASP 534 Cb 0.97 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2j8p h ASP 534 CO 0.09 0.95 -0.21 0.45 -2.88 0.00 0.00 179.24 177.64 2j8p h HIS 535 N 0.79 0.00 -0.03 0.28 3.86 -1.44 -1.01 115.15 117.60 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 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2j8p h HIS 535 CO 0.03 0.21 0.00 0.39 0.86 0.00 0.00 177.93 179.42 2j8p n GLU 536 N -3.64 1.09 0.28 2.45 1.02 -0.69 -3.45 120.64 117.70 2j8p n GLU 536 Ca -0.01 -0.14 0.15 0.00 -0.02 0.00 0.00 57.16 57.14 2j8p n GLU 536 Cb 0.34 -1.22 0.79 0.00 -0.02 0.00 0.00 31.44 31.33 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 0.27 0.00 0.00 3.49 1.57 -1.10 -0.82 116.57 119.98 2j8p h LYS 537 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2j8p h LYS 537 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2j8p h LYS 537 CO 0.00 0.08 -0.20 0.00 -0.57 0.00 0.00 179.45 178.76 2j8p h ALA 538 N 1.92 1.56 -0.86 3.86 0.00 -1.79 -1.73 119.26 122.22 2j8p h ALA 538 Ca -0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 2j8p h ALA 538 Cb 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2j8p h ALA 538 CO 0.01 0.25 0.58 0.00 0.00 0.00 0.00 179.25 180.10 2j8p h ALA 539 N 1.80 2.38 -0.02 0.00 0.00 -1.42 1.93 119.26 123.92 2j8p h ALA 539 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2j8p h ALA 539 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2j8p h ALA 539 CO 0.03 -0.64 -0.36 1.25 0.00 0.00 0.00 179.25 179.52 2j8p h LEU 540 N 0.27 0.04 -2.93 0.00 5.85 -1.47 -2.15 115.31 114.92 2j8p h LEU 540 Ca 0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2j8p h LEU 540 Cb 1.27 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2j8p h LEU 540 CO -0.12 0.40 0.00 -0.38 -0.34 0.00 0.00 178.44 178.00 2j8p n ILE 541 N -4.10 1.21 -0.14 4.05 5.41 0.39 -4.52 119.36 121.67 2j8p n ILE 541 Ca -0.02 -1.12 -0.11 0.00 1.00 0.00 0.00 62.75 62.51 2j8p n ILE 541 Cb 0.41 0.38 -0.02 0.00 -0.71 0.00 0.00 39.64 39.71 2j8p n ILE 541 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2j8p h MET 542 N 2.50 0.73 -0.93 0.38 2.86 0.31 0.12 114.93 120.91 2j8p h MET 542 Ca 0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 2j8p h MET 542 Cb 0.91 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 2j8p h MET 542 CO 0.04 0.85 0.55 -0.56 1.06 0.00 0.00 176.91 178.85 2j8p h GLN 543 N 0.55 1.26 -0.22 1.72 -0.00 -1.79 1.71 115.11 118.33 2j8p h GLN 543 Ca 0.11 -0.12 -0.14 0.00 -0.00 0.00 0.00 58.65 58.50 2j8p h GLN 543 Cb 0.56 -0.26 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2j8p h GLN 543 CO 0.03 0.89 -0.39 0.28 -0.00 0.00 0.00 178.83 179.64 2j8p h VAL 544 N 1.28 1.32 -0.54 1.86 2.07 -1.81 -2.86 116.25 117.57 2j8p h VAL 544 Ca 0.33 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.13 2j8p h VAL 544 Cb -0.04 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 2j8p h VAL 544 CO -0.06 0.50 0.15 0.18 0.02 0.00 0.00 177.57 178.36 2j8p n LEU 545 N -4.23 5.04 -0.31 2.57 7.99 0.41 -3.94 117.00 124.53 2j8p n LEU 545 Ca -0.05 -2.60 0.12 0.00 -0.01 0.00 0.00 56.01 53.47 2j8p n LEU 545 Cb 0.53 -0.68 0.24 0.00 -0.11 0.00 0.00 43.42 43.40 2j8p n LEU 545 CO 0.46 0.65 0.51 0.00 -1.51 0.00 0.00 177.39 177.51 2j8p n GLN 546 N 0.12 0.90 -0.49 3.23 6.02 0.58 -3.80 117.38 123.94 2j8p n GLN 546 Ca 0.29 -0.62 0.38 0.00 -0.01 0.00 0.00 57.00 57.04 2j8p n GLN 546 Cb 1.11 -1.49 0.61 0.00 1.02 0.00 0.00 30.24 31.50 2j8p n GLN 546 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2j8p n LEU 547 N -0.51 0.09 0.01 1.08 7.94 -1.25 -3.19 117.00 121.17 2j8p n LEU 547 Ca 0.11 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2j8p n LEU 547 Cb 0.39 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 43.85 2j8p n LEU 547 CO 0.28 -1.02 -0.14 0.41 -1.11 0.00 0.00 177.39 175.80 2j8p n THR 548 N -3.95 0.05 0.00 1.96 -1.04 -1.26 -5.02 114.28 105.03 2j8p n THR 548 Ca 0.35 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2j8p n THR 548 Cb 1.47 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -2.77 0.00 -0.30 2.41 0.00 -1.19 -4.77 120.51 113.88 2j8p n ALA 549 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2j8p n ALA 549 Cb 0.14 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.76 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 1.02 -0.21 0.00 3.58 -1.90 1.78 116.42 120.68 2j8p h ASP 550 Ca 0.00 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 2j8p h ASP 550 Cb 0.00 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 2j8p h ASP 550 CO 0.00 0.76 -0.03 1.56 -2.88 0.00 0.00 179.24 178.65 2j8p h GLN 551 N 1.19 0.40 -0.28 0.28 7.50 -1.92 0.85 115.11 123.14 2j8p h GLN 551 Ca 0.32 -0.14 -0.12 0.00 0.50 0.00 0.00 58.65 59.21 2j8p h GLN 551 Cb -0.09 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.40 2j8p h GLN 551 CO -0.06 0.62 -0.28 0.82 -1.50 0.00 0.00 178.83 178.43 2j8p h ILE 552 N 0.13 1.30 0.00 2.54 1.08 -1.71 -2.62 117.51 118.25 2j8p h ILE 552 Ca 0.06 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.06 2j8p h ILE 552 Cb 0.47 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2j8p h ILE 552 CO 0.02 0.46 -0.08 0.00 -0.69 0.00 0.00 178.15 177.86 2j8p h ALA 553 N 0.70 1.02 0.00 1.87 0.00 0.28 -2.28 119.26 120.84 2j8p h ALA 553 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2j8p h ALA 553 Cb 0.85 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2j8p h ALA 553 CO 0.07 0.10 -0.18 1.98 0.00 0.00 0.00 179.25 181.22 2j8p h MET 554 N 0.00 0.00 -6.21 0.00 1.85 0.11 -3.44 114.93 107.24 2j8p h MET 554 Ca -0.00 0.00 -0.47 0.00 -0.61 0.00 0.00 59.70 58.62 2j8p h MET 554 Cb 0.59 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 2j8p h MET 554 CO 0.01 0.18 -0.41 -0.51 -0.40 0.00 0.00 176.91 175.79 2j8p s LEU 555 N -6.66 4.29 1.01 3.39 1.43 -0.86 -5.06 118.68 116.22 2j8p s LEU 555 Ca 0.01 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 2j8p s LEU 555 Cb 0.10 -2.92 0.20 0.00 0.03 0.00 0.00 46.19 43.60 2j8p s LEU 555 CO 0.62 -0.08 1.19 -2.16 0.23 0.00 0.00 176.35 176.15 2j8p s PRO 556 N -3.92 0.29 0.12 1.29 0.04 -1.26 -4.78 135.00 126.78 2j8p s PRO 556 Ca 0.35 -0.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.28 2j8p s PRO 556 Cb -0.09 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 2j8p s PRO 556 CO 0.30 -2.71 1.31 -1.00 0.04 0.00 0.00 177.00 174.94 2j8p h PRO 557 N -1.86 0.53 0.00 0.56 0.13 -1.96 0.34 132.00 129.74 2j8p h PRO 557 Ca -0.47 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.14 2j8p h PRO 557 Cb 1.29 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2j8p h PRO 557 CO 0.46 1.15 0.00 -1.91 -0.23 0.00 0.00 178.00 177.47 2j8p n GLU 558 N -3.82 0.48 -0.01 0.86 2.13 -1.26 -2.83 120.64 116.18 2j8p n GLU 558 Ca -0.07 0.04 -0.02 0.00 0.66 0.00 0.00 57.16 57.77 2j8p n GLU 558 Cb 0.81 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.00 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 -1.11 1.79 -0.32 5.31 6.02 -1.10 -4.71 117.38 123.26 2j8p n GLN 559 Ca 0.12 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.17 2j8p n GLN 559 Cb 0.10 -1.06 0.11 0.00 1.02 0.00 0.00 30.24 30.41 2j8p n GLN 559 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2j8p n ARG 560 N -2.35 -0.10 -0.40 -1.09 1.74 0.12 0.26 116.66 114.85 2j8p n ARG 560 Ca -0.05 1.39 0.37 0.00 -0.77 0.00 0.00 57.85 58.79 2j8p n ARG 560 Cb 0.57 -2.08 0.57 0.00 -1.02 0.00 0.00 32.46 30.50 2j8p n ARG 560 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2j8p n GLN 561 N -5.44 0.01 -0.39 5.56 7.27 -1.24 0.98 117.38 124.12 2j8p n GLN 561 Ca 0.14 1.03 0.32 0.00 0.07 0.00 0.00 57.00 58.56 2j8p n GLN 561 Cb 0.44 -2.50 0.61 0.00 2.41 0.00 0.00 30.24 31.20 2j8p n GLN 561 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2j8p h SER 562 N 0.00 0.28 -0.60 1.69 0.02 0.33 1.98 113.55 117.27 2j8p h SER 562 Ca 0.65 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.68 2j8p h SER 562 Cb 3.22 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 65.79 2j8p h SER 562 CO -0.01 -0.05 0.33 0.40 -1.14 0.00 0.00 176.83 176.36 2j8p h ILE 563 N 0.19 1.19 -0.49 3.27 1.08 0.43 0.99 117.51 124.17 2j8p h ILE 563 Ca 0.71 -0.48 -0.12 0.00 -0.39 0.00 0.00 64.86 64.58 2j8p h ILE 563 Cb 2.18 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 2j8p h ILE 563 CO -0.31 0.21 -0.18 0.25 -0.69 0.00 0.00 178.15 177.43 2j8p h LEU 564 N 0.86 0.99 -0.23 1.44 6.46 0.30 0.33 115.31 125.45 2j8p h LEU 564 Ca 0.22 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2j8p h LEU 564 Cb 0.03 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 2j8p h LEU 564 CO -0.04 1.14 0.07 0.40 -0.62 0.00 0.00 178.44 179.39 2j8p h ILE 565 N 0.85 1.19 -0.29 4.05 1.08 -0.54 -0.62 117.51 123.23 2j8p h ILE 565 Ca 0.12 -0.62 -0.08 0.00 -0.39 0.00 0.00 64.86 63.89 2j8p h ILE 565 Cb 0.74 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2j8p h ILE 565 CO 0.06 0.20 -0.18 0.25 -0.69 0.00 0.00 178.15 177.79 2j8p h LEU 566 N 0.21 0.50 -0.81 1.44 6.46 -0.70 -2.29 115.31 120.12 2j8p h LEU 566 Ca 0.08 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 2j8p h LEU 566 Cb 0.24 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2j8p h LEU 566 CO -0.00 0.70 0.45 0.11 -0.62 0.00 0.00 178.44 179.08 2j8p h LYS 567 N 0.46 1.13 -0.42 1.25 1.79 0.09 0.13 116.57 121.00 2j8p h LYS 567 Ca 0.08 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2j8p h LYS 567 Cb 0.58 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2j8p h LYS 567 CO 0.04 0.82 0.19 0.93 -1.08 0.00 0.00 179.45 180.35 2j8p h GLU 568 N 1.12 0.62 -0.70 3.15 4.39 -0.64 -1.49 114.58 121.04 2j8p h GLU 568 Ca 0.29 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 2j8p h GLU 568 Cb 0.02 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2j8p h GLU 568 CO -0.05 0.56 0.22 1.96 -1.16 0.00 0.00 179.01 180.54 2j8p h GLN 569 N 0.54 1.08 -0.95 2.33 4.20 -0.93 -1.81 115.11 119.56 2j8p h GLN 569 Ca 0.14 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.64 2j8p h GLN 569 Cb 0.15 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2j8p h GLN 569 CO -0.01 0.92 0.63 0.82 -0.67 0.00 0.00 178.83 180.51 2j8p h ILE 570 N 1.04 1.24 -0.62 2.54 2.04 -0.37 -1.98 117.51 121.40 2j8p h ILE 570 Ca 0.23 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2j8p h ILE 570 Cb 0.29 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 2j8p h ILE 570 CO -0.01 0.23 0.20 1.56 0.00 0.00 0.00 178.15 180.14 2j8p h GLN 571 N 1.28 0.96 -4.84 2.37 4.20 -0.72 -3.48 115.11 114.89 2j8p h GLN 571 Ca 0.35 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2j8p h GLN 571 Cb -0.15 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.49 2j8p h GLN 571 CO -0.08 0.85 -0.05 1.63 -0.67 0.00 0.00 178.83 180.51 2j8p n LYS 572 N -4.39 -1.14 -3.88 1.46 5.02 -0.73 -5.05 118.16 109.46 2j8p n LYS 572 Ca 0.04 1.34 -0.22 0.00 -2.02 0.00 0.00 58.31 57.45 2j8p n LYS 572 Cb 0.21 -4.82 -0.05 0.00 -0.02 0.00 0.00 35.03 30.35 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p s SER 573 N -2.71 4.85 -0.30 4.39 0.15 -1.26 -5.01 113.70 113.81 2j8p s SER 573 Ca 0.03 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.87 2j8p s SER 573 Cb -0.01 -0.66 0.12 0.00 -1.71 0.00 0.00 66.02 63.76 2j8p s SER 573 CO 0.59 -0.48 2.31 1.07 1.20 0.00 0.00 173.24 177.93 2j8p n THR 574 N -1.34 2.85 -4.31 6.45 5.66 -1.26 -4.87 114.28 117.47 2j8p n THR 574 Ca -0.00 -1.86 -0.21 0.00 -3.05 0.00 0.00 64.05 58.93 2j8p n THR 574 Cb 0.62 -1.46 -0.11 0.00 -1.55 0.00 0.00 70.33 67.82 2j8p n THR 574 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2j8p s GLY 575 N 0.52 1.30 0.23 1.09 0.00 -1.26 -5.08 107.32 104.12 2j8p s GLY 575 Ca 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2j8p s GLY 575 CO -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 173.10 171.57 2j8p n ALA 576 N 0.42 -1.35 1.50 3.20 0.00 -1.26 -5.12 120.51 117.90 2j8p n ALA 576 Ca -0.14 0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2j8p n ALA 576 Cb 0.57 -0.62 0.71 0.00 0.00 0.00 0.00 19.45 20.11 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15