#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8p s MET 530 N 0.00 3.55 1.04 1.57 0.00 -1.26 -4.95 119.30 119.26 2j8p s MET 530 Ca 0.00 1.87 -0.19 0.00 0.00 0.00 0.00 55.69 57.37 2j8p s MET 530 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 34.83 30.64 2j8p s MET 530 CO 0.00 -1.60 -0.30 0.25 0.00 0.00 0.00 175.02 173.36 2j8p n THR 531 N 6.89 0.00 0.47 10.11 -2.24 -1.26 -4.84 114.28 123.41 2j8p n THR 531 Ca 0.23 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2j8p n THR 531 Cb 0.45 -0.42 0.45 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.62 0.00 -0.36 -0.78 0.13 -2.01 -3.08 132.00 124.29 2j8p h PRO 532 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 2j8p h PRO 532 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2j8p h PRO 532 CO 0.32 0.00 -0.42 1.96 -0.23 0.00 0.00 178.00 179.63 2j8p h GLN 533 N 0.00 0.93 -0.69 0.86 4.20 -1.99 -2.71 115.11 115.71 2j8p h GLN 533 Ca 0.00 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2j8p h GLN 533 Cb 0.59 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2j8p h GLN 533 CO 0.00 1.17 0.43 0.22 -0.67 0.00 0.00 178.83 179.98 2j8p h ASP 534 N 0.74 0.80 0.44 1.46 1.82 -1.87 0.43 116.42 120.25 2j8p h ASP 534 Ca 0.05 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.60 2j8p h ASP 534 Cb 1.03 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 2j8p h ASP 534 CO 0.10 0.60 -0.27 0.45 -1.61 0.00 0.00 179.24 178.52 2j8p h HIS 535 N 0.94 0.00 0.00 0.28 -0.00 -1.60 -0.83 115.15 113.94 2j8p h HIS 535 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 2j8p h HIS 535 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 2j8p h HIS 535 CO 0.00 0.27 0.00 -1.91 -0.00 0.00 0.00 177.93 176.29 2j8p n GLU 536 N -3.86 0.88 0.28 2.45 2.13 0.13 -3.08 120.64 119.57 2j8p n GLU 536 Ca -0.02 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.96 2j8p n GLU 536 Cb 0.35 -1.45 0.79 0.00 0.27 0.00 0.00 31.44 31.40 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 0.00 0.00 -0.11 5.31 1.79 -0.99 -1.22 116.57 121.35 2j8p h LYS 537 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 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 0.08 -0.46 0.00 -1.08 0.00 0.00 179.45 177.99 2j8p h ALA 538 N 1.92 1.01 -0.70 3.86 0.00 -1.75 -2.61 119.26 120.99 2j8p h ALA 538 Ca -0.00 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.56 2j8p h ALA 538 Cb 0.35 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2j8p h ALA 538 CO 0.01 0.63 0.46 0.00 0.00 0.00 0.00 179.25 180.35 2j8p h ALA 539 N 1.29 1.91 -0.08 0.00 0.00 -1.46 2.62 119.26 123.54 2j8p h ALA 539 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2j8p h ALA 539 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2j8p h ALA 539 CO 0.07 -0.06 -0.30 1.25 0.00 0.00 0.00 179.25 180.22 2j8p h LEU 540 N 0.55 0.14 0.00 0.00 5.85 -1.53 -2.13 115.31 118.19 2j8p h LEU 540 Ca 0.32 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2j8p h LEU 540 Cb 0.52 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2j8p h LEU 540 CO -0.11 0.44 -1.05 -0.38 -0.34 0.00 0.00 178.44 177.01 2j8p n ILE 541 N -4.14 0.07 -0.13 4.05 5.41 0.13 -4.16 119.36 120.59 2j8p n ILE 541 Ca -0.01 -0.15 0.07 0.00 1.00 0.00 0.00 62.75 63.66 2j8p n ILE 541 Cb 0.38 0.48 0.39 0.00 -0.71 0.00 0.00 39.64 40.18 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 0.00 0.64 -0.72 0.38 2.86 0.50 -0.85 114.93 117.73 2j8p h MET 542 Ca 0.00 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2j8p h MET 542 Cb 0.64 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2j8p h MET 542 CO 0.00 0.42 0.26 -0.56 1.06 0.00 0.00 176.91 178.10 2j8p h GLN 543 N 0.66 1.09 -0.18 1.72 3.07 -1.72 0.56 115.11 120.31 2j8p h GLN 543 Ca 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 58.65 58.77 2j8p h GLN 543 Cb 0.24 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2j8p h GLN 543 CO -0.08 0.90 -0.05 0.28 0.09 0.00 0.00 178.83 179.97 2j8p h VAL 544 N 1.06 1.15 0.00 1.86 2.07 -1.41 -3.33 116.25 117.65 2j8p h VAL 544 Ca 0.24 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2j8p h VAL 544 Cb 0.24 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2j8p h VAL 544 CO -0.02 0.20 0.00 0.18 0.02 0.00 0.00 177.57 177.95 2j8p n LEU 545 N -4.33 0.00 -0.08 2.57 7.99 -0.64 -4.90 117.00 117.60 2j8p n LEU 545 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.90 2j8p n LEU 545 Cb 0.22 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.43 2j8p n LEU 545 CO 0.37 0.00 -1.01 0.00 -1.51 0.00 0.00 177.39 175.24 2j8p n GLN 546 N 0.00 1.14 -1.44 3.23 -0.00 -0.72 -5.09 117.38 114.50 2j8p n GLN 546 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 2j8p n GLN 546 Cb 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 28.89 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 -2.75 -1.91 0.06 2.61 -0.00 0.19 -4.90 117.00 110.30 2j8p n LEU 547 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.74 2j8p n LEU 547 Cb 0.89 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 2j8p n LEU 547 CO 0.24 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 178.04 2j8p n THR 548 N 0.02 0.00 0.00 1.47 -1.04 -1.26 -4.94 114.28 108.53 2j8p n THR 548 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2j8p n THR 548 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.72 0.00 -0.18 2.41 0.00 -1.26 -4.69 120.51 114.07 2j8p n ALA 549 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2j8p n ALA 549 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 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 0.75 -0.66 0.00 1.82 -2.01 -0.68 116.42 115.65 2j8p h ASP 550 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 2j8p h ASP 550 Cb 0.00 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 2j8p h ASP 550 CO 0.00 0.53 0.37 1.56 -1.61 0.00 0.00 179.24 180.09 2j8p h GLN 551 N 0.88 0.94 0.00 0.28 4.20 -1.99 -0.33 115.11 119.09 2j8p h GLN 551 Ca 0.27 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2j8p h GLN 551 Cb 0.00 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 2j8p h GLN 551 CO -0.07 0.69 -0.13 0.82 -0.67 0.00 0.00 178.83 179.47 2j8p h ILE 552 N 0.94 0.87 -0.02 2.54 1.08 -1.50 -0.21 117.51 121.21 2j8p h ILE 552 Ca 0.24 -0.48 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2j8p h ILE 552 Cb 0.03 1.28 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2j8p h ILE 552 CO -0.04 0.13 0.05 0.00 -0.69 0.00 0.00 178.15 177.59 2j8p h ALA 553 N 1.87 1.30 -0.10 1.87 0.00 -0.79 0.63 119.26 124.05 2j8p h ALA 553 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j8p h ALA 553 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2j8p h ALA 553 CO 0.02 -0.06 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 2j8p n MET 554 N -3.42 1.78 -4.22 0.00 2.81 -0.09 -4.87 117.12 109.11 2j8p n MET 554 Ca -0.02 -1.16 -0.30 0.00 -1.81 0.00 0.00 57.70 54.41 2j8p n MET 554 Cb 0.13 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.79 3.09 1.02 4.03 1.43 0.22 -5.13 118.68 121.55 2j8p s LEU 555 Ca 0.35 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 2j8p s LEU 555 Cb 0.20 -1.88 0.21 0.00 0.03 0.00 0.00 46.19 44.74 2j8p s LEU 555 CO 0.30 0.18 1.19 -2.16 0.23 0.00 0.00 176.35 176.09 2j8p s PRO 556 N -2.20 0.23 0.04 1.29 0.04 -1.26 -4.79 135.00 128.34 2j8p s PRO 556 Ca 0.22 -0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.02 2j8p s PRO 556 Cb -0.11 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.45 2j8p s PRO 556 CO 0.14 -2.75 1.17 -1.00 0.04 0.00 0.00 177.00 174.60 2j8p h PRO 557 N -1.89 0.52 0.00 0.56 0.13 -1.98 0.49 132.00 129.84 2j8p h PRO 557 Ca -0.47 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 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 0.45 1.14 0.00 -1.91 -0.23 0.00 0.00 178.00 177.45 2j8p n GLU 558 N -4.14 0.09 -0.06 0.86 2.13 -1.26 -1.86 120.64 116.40 2j8p n GLU 558 Ca -0.10 0.52 -0.07 0.00 0.66 0.00 0.00 57.16 58.18 2j8p n GLU 558 Cb 0.69 -1.76 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.94 1.63 0.00 5.31 6.02 -1.14 -4.33 117.38 122.92 2j8p n GLN 559 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2j8p n GLN 559 Cb 0.07 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 -2.56 0.00 0.32 -1.09 0.63 0.17 -1.57 116.66 112.56 2j8p n ARG 560 Ca -0.20 0.57 0.15 0.00 -0.92 0.00 0.00 57.85 57.44 2j8p n ARG 560 Cb 0.82 -1.46 0.78 0.00 0.45 0.00 0.00 32.46 33.06 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 0.00 -0.97 -0.14 -0.00 -1.58 0.12 115.11 112.54 2j8p h GLN 561 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.88 2j8p h GLN 561 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.40 2j8p h GLN 561 CO 0.00 0.00 0.63 1.03 0.00 0.00 0.00 178.83 180.49 2j8p h SER 562 N 0.00 0.44 -0.66 -0.69 0.87 -1.48 0.74 113.55 112.78 2j8p h SER 562 Ca 0.00 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2j8p h SER 562 Cb 0.65 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2j8p h SER 562 CO 0.00 0.14 0.33 0.40 -0.53 0.00 0.00 176.83 177.18 2j8p h ILE 563 N 0.42 1.22 -0.47 2.23 2.04 -1.00 0.13 117.51 122.09 2j8p h ILE 563 Ca 0.53 -0.59 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 2j8p h ILE 563 Cb 1.29 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2j8p h ILE 563 CO -0.23 0.25 -0.20 0.25 0.00 0.00 0.00 178.15 178.23 2j8p h LEU 564 N 0.95 0.98 -0.10 1.44 6.46 0.27 0.65 115.31 125.97 2j8p h LEU 564 Ca 0.24 -0.39 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2j8p h LEU 564 Cb 0.08 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2j8p h LEU 564 CO -0.03 1.16 0.05 0.40 -0.62 0.00 0.00 178.44 179.39 2j8p h ILE 565 N 0.81 1.12 -0.25 4.05 2.04 -0.42 0.10 117.51 124.97 2j8p h ILE 565 Ca 0.11 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 2j8p h ILE 565 Cb 0.77 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2j8p h ILE 565 CO 0.06 0.11 -0.29 0.25 0.00 0.00 0.00 178.15 178.28 2j8p h LEU 566 N 0.03 0.50 -1.07 1.44 6.46 -0.66 -2.47 115.31 119.55 2j8p h LEU 566 Ca 0.03 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2j8p h LEU 566 Cb 0.13 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2j8p h LEU 566 CO -0.00 0.78 0.29 0.11 -0.62 0.00 0.00 178.44 178.99 2j8p h LYS 567 N 0.43 0.95 -0.68 1.25 1.79 0.75 -0.93 116.57 120.14 2j8p h LYS 567 Ca 0.06 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 2j8p h LYS 567 Cb 0.73 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 2j8p h LYS 567 CO 0.06 0.76 0.19 1.49 -1.08 0.00 0.00 179.45 180.87 2j8p h GLU 568 N 0.94 1.05 -0.52 3.15 4.57 -0.36 -1.95 114.58 121.46 2j8p h GLU 568 Ca 0.23 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 2j8p h GLU 568 Cb 0.14 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2j8p h GLU 568 CO -0.02 0.90 -0.11 1.96 -1.18 0.00 0.00 179.01 180.56 2j8p h GLN 569 N 1.00 0.98 -0.95 1.92 4.20 -1.05 -1.80 115.11 119.42 2j8p h GLN 569 Ca 0.22 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2j8p h GLN 569 Cb 0.31 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2j8p h GLN 569 CO -0.01 1.03 0.61 0.82 -0.67 0.00 0.00 178.83 180.62 2j8p h ILE 570 N 0.88 1.25 -0.44 2.54 2.04 -0.78 -2.16 117.51 120.83 2j8p h ILE 570 Ca 0.14 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2j8p h ILE 570 Cb 0.66 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2j8p h ILE 570 CO 0.05 0.25 0.03 1.56 0.00 0.00 0.00 178.15 180.04 2j8p h GLN 571 N 1.30 0.76 -2.60 2.37 7.50 -1.04 -3.49 115.11 119.90 2j8p h GLN 571 Ca 0.35 -0.22 0.28 0.00 0.50 0.00 0.00 58.65 59.55 2j8p h GLN 571 Cb -0.12 -0.08 -0.12 0.00 0.05 0.00 0.00 27.48 27.22 2j8p h GLN 571 CO -0.07 0.80 -0.74 1.63 -1.50 0.00 0.00 178.83 178.95 2j8p n LYS 572 N -4.43 -2.43 -1.61 1.46 5.02 -0.71 -4.70 118.16 110.76 2j8p n LYS 572 Ca -0.00 1.84 -0.59 0.00 -2.02 0.00 0.00 58.31 57.54 2j8p n LYS 572 Cb 0.27 -2.89 -0.08 0.00 -0.02 0.00 0.00 35.03 32.32 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 -3.88 1.02 -3.61 4.39 2.88 -1.26 -4.93 113.62 108.23 2j8p n SER 573 Ca -0.04 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.54 2j8p n SER 573 Cb 0.52 -1.01 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 2j8p n SER 573 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2j8p s THR 574 N 1.34 0.00 -0.25 2.46 -1.32 -1.26 -5.12 115.64 111.48 2j8p s THR 574 Ca 0.94 0.00 -0.43 0.00 -1.21 0.00 0.00 61.69 60.99 2j8p s THR 574 Cb -1.22 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 68.58 2j8p s THR 574 CO 0.62 0.00 1.42 0.61 -2.21 0.00 0.00 174.62 175.06 2j8p n GLY 575 N 1.82 0.15 3.60 6.08 0.00 -1.26 -4.94 105.19 110.63 2j8p n GLY 575 Ca -0.13 0.89 -0.24 0.00 0.00 0.00 0.00 46.02 46.54 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 1.85 3.05 -2.00 4.61 0.00 -1.26 -5.24 121.76 122.77 2j8p s ALA 576 Ca 0.98 -1.68 0.24 0.00 0.00 0.00 0.00 51.96 51.50 2j8p s ALA 576 Cb -1.31 -0.66 1.43 0.00 0.00 0.00 0.00 23.12 22.58 2j8p s ALA 576 CO 0.68 0.30 1.80 -0.35 0.00 0.00 0.00 175.76 178.19