#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 4.64 -0.58 -1.40 0.00 -1.26 -4.98 117.12 113.54 2j8p n MET 530 Ca 0.00 -4.07 0.08 0.00 -0.00 0.00 0.00 57.70 53.71 2j8p n MET 530 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 33.22 30.59 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 1.42 0.00 0.05 1.12 -2.24 -1.26 -3.10 114.28 110.27 2j8p n THR 531 Ca 0.45 0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 62.11 2j8p n THR 531 Cb 0.29 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.54 0.49 -0.85 -0.78 0.13 -2.00 -3.17 132.00 125.28 2j8p h PRO 532 Ca 0.01 -0.48 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 2j8p h PRO 532 Cb 0.53 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.72 2j8p h PRO 532 CO 0.00 1.12 0.55 1.96 -0.23 0.00 0.00 178.00 181.40 2j8p h GLN 533 N 0.30 0.76 -0.48 0.86 4.20 -1.94 0.99 115.11 119.79 2j8p h GLN 533 Ca -0.07 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2j8p h GLN 533 Cb 1.50 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 2j8p h GLN 533 CO 0.16 0.50 0.29 0.22 -0.67 0.00 0.00 178.83 179.33 2j8p h ASP 534 N 0.78 0.46 1.27 1.46 3.58 -1.51 0.64 116.42 123.10 2j8p h ASP 534 Ca 0.40 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.75 2j8p h ASP 534 Cb 0.49 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2j8p h ASP 534 CO -0.17 0.33 -0.53 0.45 -2.88 0.00 0.00 179.24 176.44 2j8p h HIS 535 N 0.57 0.00 -0.01 0.28 3.86 -1.14 -2.88 115.15 115.82 2j8p h HIS 535 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2j8p h HIS 535 Cb 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2j8p h HIS 535 CO -0.07 0.53 -0.02 -1.91 0.86 0.00 0.00 177.93 177.32 2j8p n GLU 536 N -3.31 1.20 0.26 2.45 2.13 0.33 -3.45 120.64 120.24 2j8p n GLU 536 Ca 0.01 -0.42 0.13 0.00 0.66 0.00 0.00 57.16 57.54 2j8p n GLU 536 Cb 0.70 -1.49 0.65 0.00 0.27 0.00 0.00 31.44 31.57 2j8p n GLU 536 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2j8p h LYS 537 N 1.03 0.00 -0.01 5.31 3.11 0.47 -1.77 116.57 124.70 2j8p h LYS 537 Ca 0.00 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 2j8p h LYS 537 Cb 0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 2j8p h LYS 537 CO 0.00 0.13 -0.59 0.00 -2.81 0.00 0.00 179.45 176.18 2j8p h ALA 538 N 1.87 1.00 -0.94 5.00 0.00 -1.76 -2.91 119.26 121.52 2j8p h ALA 538 Ca -0.00 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.50 2j8p h ALA 538 Cb 0.51 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2j8p h ALA 538 CO 0.02 0.73 0.56 0.00 0.00 0.00 0.00 179.25 180.56 2j8p h ALA 539 N 1.37 1.43 -0.22 0.00 0.00 -1.55 1.58 119.26 121.87 2j8p h ALA 539 Ca -0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 539 Cb 1.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2j8p h ALA 539 CO 0.08 0.10 -0.29 1.25 0.00 0.00 0.00 179.25 180.40 2j8p h LEU 540 N 0.85 0.44 -1.50 0.00 5.85 -1.61 -1.51 115.31 117.82 2j8p h LEU 540 Ca 0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2j8p h LEU 540 Cb 0.55 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2j8p h LEU 540 CO -0.30 0.71 0.00 -0.38 -0.34 0.00 0.00 178.44 178.13 2j8p n ILE 541 N -4.10 0.39 -0.11 4.05 2.08 0.11 -4.12 119.36 117.65 2j8p n ILE 541 Ca -0.01 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.69 2j8p n ILE 541 Cb 0.42 0.46 -0.03 0.00 -0.75 0.00 0.00 39.64 39.74 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 2.76 0.55 -0.46 0.38 4.05 0.31 0.23 114.93 122.75 2j8p h MET 542 Ca 0.00 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.12 2j8p h MET 542 Cb 0.61 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2j8p h MET 542 CO 0.00 0.67 -0.22 -0.56 0.23 0.00 0.00 176.91 177.03 2j8p h GLN 543 N 0.35 0.94 -0.18 0.39 -0.00 -1.72 -2.70 115.11 112.19 2j8p h GLN 543 Ca 0.09 -0.40 -0.10 0.00 -0.00 0.00 0.00 58.65 58.24 2j8p h GLN 543 Cb 0.41 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 2j8p h GLN 543 CO 0.01 1.06 -0.33 0.28 -0.00 0.00 0.00 178.83 179.86 2j8p h VAL 544 N 0.81 1.28 0.00 1.86 2.07 -1.74 -1.79 116.25 118.74 2j8p h VAL 544 Ca 0.11 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2j8p h VAL 544 Cb 0.78 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2j8p h VAL 544 CO 0.07 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.26 2j8p n LEU 545 N -4.08 0.00 -0.00 2.57 7.99 0.79 -4.60 117.00 119.67 2j8p n LEU 545 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.07 2j8p n LEU 545 Cb 0.44 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.63 2j8p n LEU 545 CO 0.42 0.00 -0.43 0.00 -1.51 0.00 0.00 177.39 175.87 2j8p n GLN 546 N 0.00 0.93 -0.81 3.23 3.00 -1.20 -4.98 117.38 117.54 2j8p n GLN 546 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2j8p n GLN 546 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 28.88 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 -1.81 -0.40 -3.71 1.08 0.00 -0.67 -5.04 117.00 106.45 2j8p n LEU 547 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.87 2j8p n LEU 547 Cb 0.37 -0.21 -0.09 0.00 0.00 0.00 0.00 43.42 43.49 2j8p n LEU 547 CO 0.35 0.00 0.16 -0.89 0.00 0.00 0.00 177.39 177.02 2j8p s THR 548 N -2.00 -0.00 -0.23 1.96 2.01 -1.24 -4.90 115.64 111.25 2j8p s THR 548 Ca 0.00 0.00 0.22 0.00 0.31 0.00 0.00 61.69 62.22 2j8p s THR 548 Cb 0.00 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 2j8p s THR 548 CO 0.00 0.00 1.03 0.00 -0.69 0.00 0.00 174.62 174.96 2j8p n ALA 549 N 2.86 2.50 -0.14 7.40 0.00 -1.26 -3.62 120.51 128.25 2j8p n ALA 549 Ca -0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 52.98 2j8p n ALA 549 Cb 0.57 -1.10 0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 0.91 -0.20 0.00 3.58 -1.96 1.63 116.42 120.38 2j8p h ASP 550 Ca -0.01 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 2j8p h ASP 550 Cb 1.02 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 2j8p h ASP 550 CO 0.00 1.03 -0.12 1.56 -2.88 0.00 0.00 179.24 178.84 2j8p h GLN 551 N 0.82 0.43 -0.00 0.28 4.20 -2.00 -2.76 115.11 116.09 2j8p h GLN 551 Ca 0.13 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 2j8p h GLN 551 Cb 0.64 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2j8p h GLN 551 CO 0.04 0.74 -0.73 0.82 -0.67 0.00 0.00 178.83 179.03 2j8p h ILE 552 N 0.12 1.52 0.00 2.54 2.04 -1.59 -2.77 117.51 119.38 2j8p h ILE 552 Ca 0.04 -2.50 -0.00 0.00 1.00 0.00 0.00 64.86 63.40 2j8p h ILE 552 Cb 0.62 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2j8p h ILE 552 CO 0.03 0.71 -0.02 0.00 0.00 0.00 0.00 178.15 178.88 2j8p h ALA 553 N 1.27 1.31 -0.01 1.87 0.00 0.25 0.37 119.26 124.31 2j8p h ALA 553 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 553 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2j8p h ALA 553 CO 0.10 0.02 -0.03 -1.33 0.00 0.00 0.00 179.25 178.01 2j8p n MET 554 N -3.56 1.40 -3.87 0.00 2.81 -1.05 -4.86 117.12 107.99 2j8p n MET 554 Ca -0.03 -0.70 -0.31 0.00 -1.81 0.00 0.00 57.70 54.86 2j8p n MET 554 Cb 0.11 -1.49 -0.04 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 -2.08 4.34 1.01 4.03 1.43 0.13 -5.11 118.68 122.43 2j8p s LEU 555 Ca 0.38 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 2j8p s LEU 555 Cb 0.21 -3.02 0.20 0.00 0.03 0.00 0.00 46.19 43.60 2j8p s LEU 555 CO 0.37 0.14 1.18 -2.16 0.23 0.00 0.00 176.35 176.12 2j8p s PRO 556 N -2.56 0.32 0.03 1.29 0.04 -1.26 -4.82 135.00 128.04 2j8p s PRO 556 Ca 0.36 -0.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.20 2j8p s PRO 556 Cb -0.13 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.43 2j8p s PRO 556 CO 0.27 -2.69 1.15 -1.00 0.04 0.00 0.00 177.00 174.77 2j8p h PRO 557 N -1.85 0.48 0.00 0.56 0.13 -1.96 0.17 132.00 129.52 2j8p h PRO 557 Ca -0.47 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2j8p h PRO 557 Cb 1.29 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2j8p h PRO 557 CO 0.47 1.11 0.00 -1.91 -0.23 0.00 0.00 178.00 177.44 2j8p n GLU 558 N -4.19 0.10 -0.09 0.86 2.13 -1.26 -1.85 120.64 116.33 2j8p n GLU 558 Ca -0.10 0.54 -0.13 0.00 0.66 0.00 0.00 57.16 58.14 2j8p n GLU 558 Cb 0.67 -1.78 -0.10 0.00 0.27 0.00 0.00 31.44 30.50 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 -1.98 0.70 0.19 5.31 6.02 -1.15 -4.28 117.38 122.19 2j8p n GLN 559 Ca -0.00 0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 2j8p n GLN 559 Cb 0.06 -1.40 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.68 -0.80 -1.09 2.43 0.09 -0.77 114.38 113.56 2j8p h ARG 560 Ca -0.44 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.01 2j8p h ARG 560 Cb 1.75 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.42 2j8p h ARG 560 CO -0.05 -0.45 0.64 0.37 -1.51 0.00 0.00 179.97 178.96 2j8p h GLN 561 N -0.71 0.00 -0.96 0.20 -0.00 -1.57 0.36 115.11 112.45 2j8p h GLN 561 Ca -0.04 0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.87 2j8p h GLN 561 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.05 2j8p h GLN 561 CO -0.08 0.00 0.66 1.03 0.00 0.00 0.00 178.83 180.44 2j8p h SER 562 N 0.00 0.19 -0.54 -0.69 0.87 -1.32 0.78 113.55 112.84 2j8p h SER 562 Ca 0.38 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.89 2j8p h SER 562 Cb 1.65 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.58 2j8p h SER 562 CO -0.00 0.06 0.06 0.40 -0.53 0.00 0.00 176.83 176.81 2j8p h ILE 563 N 0.18 1.25 -0.80 2.23 2.04 -0.27 -1.35 117.51 120.80 2j8p h ILE 563 Ca 0.48 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2j8p h ILE 563 Cb 1.58 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 2j8p h ILE 563 CO -0.11 0.37 0.44 0.25 0.00 0.00 0.00 178.15 179.11 2j8p h LEU 564 N 0.90 0.99 -0.14 1.44 6.46 0.45 1.29 115.31 126.69 2j8p h LEU 564 Ca 0.18 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2j8p h LEU 564 Cb 0.44 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2j8p h LEU 564 CO 0.02 0.80 0.03 0.40 -0.62 0.00 0.00 178.44 179.06 2j8p h ILE 565 N 1.12 1.21 -0.28 4.05 2.04 -0.88 0.67 117.51 125.44 2j8p h ILE 565 Ca 0.28 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 2j8p h ILE 565 Cb 0.02 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2j8p h ILE 565 CO -0.05 0.20 -0.28 0.25 0.00 0.00 0.00 178.15 178.27 2j8p h LEU 566 N 0.02 0.58 -0.79 1.44 5.85 -0.75 -2.39 115.31 119.28 2j8p h LEU 566 Ca 0.04 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2j8p h LEU 566 Cb 0.28 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2j8p h LEU 566 CO 0.00 0.84 0.40 0.11 -0.34 0.00 0.00 178.44 179.46 2j8p h LYS 567 N 0.50 1.12 -0.51 1.25 1.79 0.19 -1.54 116.57 119.37 2j8p h LYS 567 Ca 0.07 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 2j8p h LYS 567 Cb 0.74 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2j8p h LYS 567 CO 0.06 0.85 0.13 0.93 -1.08 0.00 0.00 179.45 180.34 2j8p h GLU 568 N 1.11 0.78 -0.63 3.15 4.39 -0.51 -2.26 114.58 120.60 2j8p h GLU 568 Ca 0.27 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2j8p h GLU 568 Cb 0.08 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2j8p h GLU 568 CO -0.04 0.70 0.10 1.96 -1.16 0.00 0.00 179.01 180.57 2j8p h GLN 569 N 0.75 1.02 -0.90 2.33 4.20 -0.86 -2.31 115.11 119.34 2j8p h GLN 569 Ca 0.17 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.63 2j8p h GLN 569 Cb 0.27 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 2j8p h GLN 569 CO -0.00 0.94 0.59 0.82 -0.67 0.00 0.00 178.83 180.51 2j8p h ILE 570 N 0.96 1.21 -0.25 2.54 2.04 -0.73 -0.74 117.51 122.55 2j8p h ILE 570 Ca 0.19 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2j8p h ILE 570 Cb 0.42 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2j8p h ILE 570 CO 0.01 0.22 -0.10 1.56 0.00 0.00 0.00 178.15 179.84 2j8p h GLN 571 N 1.20 0.40 -5.09 2.37 4.20 -1.07 -3.48 115.11 113.64 2j8p h GLN 571 Ca 0.34 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.95 2j8p h GLN 571 Cb -0.11 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.54 2j8p h GLN 571 CO -0.08 0.50 -1.36 1.63 -0.67 0.00 0.00 178.83 178.85 2j8p n LYS 572 N -4.25 -4.14 -3.18 1.46 5.02 -0.28 -5.05 118.16 107.73 2j8p n LYS 572 Ca 0.00 3.18 0.02 0.00 -2.02 0.00 0.00 58.31 59.49 2j8p n LYS 572 Cb 0.28 -5.12 -0.01 0.00 -0.02 0.00 0.00 35.03 30.16 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 -1.03 -1.36 0.46 4.39 0.15 -1.26 -5.10 113.70 109.95 2j8p s SER 573 Ca -0.18 -0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.09 2j8p s SER 573 Cb 0.01 1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 66.14 2j8p s SER 573 CO 0.78 -0.27 1.22 1.07 1.20 0.00 0.00 173.24 177.24 2j8p n THR 574 N 5.14 2.86 0.00 6.45 5.66 -1.26 -4.85 114.28 128.28 2j8p n THR 574 Ca 0.06 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2j8p n THR 574 Cb 0.54 -1.49 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 2j8p n THR 574 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2j8p n GLY 575 N 0.90 -0.76 3.78 1.09 0.00 -1.26 -5.07 105.19 103.87 2j8p n GLY 575 Ca 0.08 0.57 -0.25 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 -3.00 -2.80 1.50 4.61 0.00 -1.26 -5.36 120.51 114.20 2j8p n ALA 576 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2j8p n ALA 576 Cb 0.00 -0.74 0.71 0.00 0.00 0.00 0.00 19.45 19.43 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15