#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 0.74 -0.65 -0.41 2.00 -1.26 -4.88 117.12 112.66 2j8p n MET 530 Ca 0.00 0.27 -0.22 0.00 0.00 0.00 0.00 57.70 57.75 2j8p n MET 530 Cb 0.00 -1.87 0.12 0.00 0.00 0.00 0.00 33.22 31.47 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 3.09 0.00 0.49 2.03 -2.24 -1.26 -4.74 114.28 111.65 2j8p n THR 531 Ca 0.23 -0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 2j8p n THR 531 Cb 0.11 -0.39 0.45 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.25 0.00 -0.35 -0.78 0.13 -1.99 -3.09 132.00 123.67 2j8p h PRO 532 Ca -0.30 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2j8p h PRO 532 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 2j8p h PRO 532 CO 0.19 0.00 -0.24 0.37 -0.23 0.00 0.00 178.00 178.10 2j8p h GLN 533 N 0.00 0.79 -0.33 0.86 -0.00 -1.97 -0.72 115.11 113.74 2j8p h GLN 533 Ca 0.00 -0.37 -0.14 0.00 -0.00 0.00 0.00 58.65 58.14 2j8p h GLN 533 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.03 2j8p h GLN 533 CO 0.00 1.00 -0.36 0.22 0.00 0.00 0.00 178.83 179.69 2j8p h ASP 534 N 0.57 0.79 0.52 -0.69 1.82 -1.86 -2.45 116.42 115.13 2j8p h ASP 534 Ca 0.07 -0.34 -0.05 0.00 -0.39 0.00 0.00 57.03 56.32 2j8p h ASP 534 Cb 0.80 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2j8p h ASP 534 CO 0.06 1.07 -0.24 0.45 -1.61 0.00 0.00 179.24 178.97 2j8p h HIS 535 N 0.63 0.00 -0.12 0.28 3.86 -1.49 -0.98 115.15 117.32 2j8p h HIS 535 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2j8p h HIS 535 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2j8p h HIS 535 CO 0.05 0.24 0.00 -1.91 0.86 0.00 0.00 177.93 177.17 2j8p n GLU 536 N -3.73 1.36 0.27 2.45 2.13 -0.29 -3.51 120.64 119.32 2j8p n GLU 536 Ca -0.01 -0.55 0.15 0.00 0.66 0.00 0.00 57.16 57.41 2j8p n GLU 536 Cb 0.35 -1.22 0.74 0.00 0.27 0.00 0.00 31.44 31.58 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 0.98 0.00 -0.19 5.31 1.79 -1.06 -1.57 116.57 121.84 2j8p h LYS 537 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2j8p h LYS 537 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2j8p h LYS 537 CO 0.00 0.10 -0.30 0.00 -1.08 0.00 0.00 179.45 178.16 2j8p h ALA 538 N 1.90 1.13 -0.69 3.86 0.00 -1.78 -2.36 119.26 121.32 2j8p h ALA 538 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2j8p h ALA 538 Cb 0.40 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2j8p h ALA 538 CO 0.01 0.55 0.46 0.00 0.00 0.00 0.00 179.25 180.27 2j8p h ALA 539 N 1.35 1.64 -0.22 0.00 0.00 -1.56 2.44 119.26 122.92 2j8p h ALA 539 Ca 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 539 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2j8p h ALA 539 CO 0.05 0.28 -0.19 1.37 0.00 0.00 0.00 179.25 180.77 2j8p h LEU 540 N 0.80 0.37 0.00 0.00 8.10 -1.48 -2.11 115.31 121.00 2j8p h LEU 540 Ca 0.28 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2j8p h LEU 540 Cb 0.12 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 2j8p h LEU 540 CO -0.08 0.58 -1.00 -0.38 -4.11 0.00 0.00 178.44 173.45 2j8p n ILE 541 N -4.18 0.39 -0.12 0.15 5.41 0.28 -3.98 119.36 117.31 2j8p n ILE 541 Ca -0.00 -0.40 0.05 0.00 1.00 0.00 0.00 62.75 63.39 2j8p n ILE 541 Cb 0.34 -0.12 0.36 0.00 -0.71 0.00 0.00 39.64 39.52 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 0.00 0.70 -0.08 0.38 4.05 0.48 0.80 114.93 121.25 2j8p h MET 542 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2j8p h MET 542 Cb 0.87 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.51 2j8p h MET 542 CO 0.00 0.46 0.03 1.96 0.23 0.00 0.00 176.91 179.59 2j8p h GLN 543 N 0.72 0.13 -0.11 0.39 4.20 -1.67 -0.52 115.11 118.25 2j8p h GLN 543 Ca 0.24 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 2j8p h GLN 543 Cb 0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2j8p h GLN 543 CO -0.06 0.28 -0.56 0.28 -0.67 0.00 0.00 178.83 178.09 2j8p h VAL 544 N -0.05 1.36 0.00 -0.54 2.07 -1.61 -1.62 116.25 115.86 2j8p h VAL 544 Ca 0.03 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2j8p h VAL 544 Cb 0.20 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2j8p h VAL 544 CO -0.00 0.56 0.00 -0.11 0.02 0.00 0.00 177.57 178.04 2j8p n LEU 545 N -3.92 0.00 -0.08 2.57 7.94 0.27 -4.61 117.00 119.18 2j8p n LEU 545 Ca -0.02 0.14 -0.08 0.00 -1.11 0.00 0.00 56.01 54.94 2j8p n LEU 545 Cb 0.59 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.43 2j8p n LEU 545 CO 0.45 0.00 -1.02 0.00 -1.11 0.00 0.00 177.39 175.70 2j8p n GLN 546 N -0.18 1.34 -0.38 1.96 3.00 -0.87 -5.01 117.38 117.24 2j8p n GLN 546 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2j8p n GLN 546 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.64 -0.23 -3.67 1.08 7.94 -0.26 -5.01 117.00 114.21 2j8p n LEU 547 Ca -0.26 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.53 2j8p n LEU 547 Cb 0.98 -0.09 -0.09 0.00 0.53 0.00 0.00 43.42 44.76 2j8p n LEU 547 CO 0.31 0.00 0.20 0.42 -1.11 0.00 0.00 177.39 177.21 2j8p s THR 548 N -2.05 -0.01 -0.20 1.96 -4.23 -1.24 -4.92 115.64 104.96 2j8p s THR 548 Ca 0.00 0.04 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2j8p s THR 548 Cb 0.00 -0.78 0.06 0.00 1.34 0.00 0.00 72.50 73.12 2j8p s THR 548 CO 0.00 0.02 1.33 0.00 -0.54 0.00 0.00 174.62 175.42 2j8p h ALA 549 N 6.60 0.70 -0.89 3.99 0.00 -1.96 -3.25 119.26 124.46 2j8p h ALA 549 Ca -0.32 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2j8p h ALA 549 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2j8p h ALA 549 CO 0.21 0.55 0.53 0.22 0.00 0.00 0.00 179.25 180.76 2j8p h ASP 550 N 0.00 1.08 -0.35 0.00 1.82 -1.97 1.61 116.42 118.60 2j8p h ASP 550 Ca -0.03 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.48 2j8p h ASP 550 Cb 1.34 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 2j8p h ASP 550 CO 0.05 0.83 0.00 1.56 -1.61 0.00 0.00 179.24 180.08 2j8p h GLN 551 N 1.24 0.62 0.00 0.28 4.20 -1.99 -2.70 115.11 116.76 2j8p h GLN 551 Ca 0.32 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 2j8p h GLN 551 Cb -0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2j8p h GLN 551 CO -0.06 0.73 -0.64 0.82 -0.67 0.00 0.00 178.83 179.02 2j8p h ILE 552 N 0.44 1.37 0.00 2.54 1.08 -1.47 -2.69 117.51 118.78 2j8p h ILE 552 Ca 0.10 -2.25 -0.00 0.00 -0.39 0.00 0.00 64.86 62.32 2j8p h ILE 552 Cb 0.45 2.24 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2j8p h ILE 552 CO 0.02 0.63 -0.02 0.00 -0.69 0.00 0.00 178.15 178.09 2j8p h ALA 553 N 1.36 1.24 -0.00 1.87 0.00 0.26 0.35 119.26 124.34 2j8p h ALA 553 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2j8p h ALA 553 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2j8p h ALA 553 CO 0.08 0.02 -0.10 -1.33 0.00 0.00 0.00 179.25 177.93 2j8p n MET 554 N -3.46 0.49 -2.69 0.00 2.81 -1.01 -4.84 117.12 108.42 2j8p n MET 554 Ca -0.03 -0.13 -0.38 0.00 -1.81 0.00 0.00 57.70 55.35 2j8p n MET 554 Cb 0.11 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 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 -2.60 4.45 1.01 4.03 1.43 0.12 -5.05 118.68 122.07 2j8p s LEU 555 Ca 0.26 1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 55.18 2j8p s LEU 555 Cb 0.20 -3.84 0.20 0.00 0.03 0.00 0.00 46.19 42.77 2j8p s LEU 555 CO 0.49 -0.06 1.18 -2.16 0.23 0.00 0.00 176.35 176.03 2j8p s PRO 556 N -1.73 0.33 0.03 1.29 0.04 -1.26 -4.85 135.00 128.85 2j8p s PRO 556 Ca 0.47 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.19 2j8p s PRO 556 Cb -0.24 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2j8p s PRO 556 CO 0.30 -2.68 1.18 -1.25 0.04 0.00 0.00 177.00 174.59 2j8p s PRO 557 N -5.50 4.42 0.00 0.56 0.04 -1.26 -2.60 135.00 130.67 2j8p s PRO 557 Ca 0.69 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2j8p s PRO 557 Cb -0.10 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2j8p s PRO 557 CO 0.54 -0.29 0.00 -1.91 0.04 0.00 0.00 177.00 175.38 2j8p n GLU 558 N 4.25 0.00 -0.00 4.56 2.13 -1.26 -4.83 120.64 125.49 2j8p n GLU 558 Ca 0.09 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.82 2j8p n GLU 558 Cb 0.47 -0.33 -0.14 0.00 0.27 0.00 0.00 31.44 31.71 2j8p n GLU 558 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2j8p h GLN 559 N 2.69 0.02 0.75 5.31 1.08 -1.87 -3.33 115.11 119.76 2j8p h GLN 559 Ca 0.00 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2j8p h GLN 559 Cb 0.00 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2j8p h GLN 559 CO 0.00 0.65 -0.36 0.00 -0.95 0.00 0.00 178.83 178.17 2j8p h ARG 560 N 0.01 -0.97 -0.22 1.46 3.08 -1.86 -2.22 114.38 113.66 2j8p h ARG 560 Ca -0.24 0.07 0.06 0.00 0.07 0.00 0.00 59.98 59.94 2j8p h ARG 560 Cb 1.97 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 32.23 2j8p h ARG 560 CO 0.09 -0.64 0.56 0.37 -1.07 0.00 0.00 179.97 179.28 2j8p h GLN 561 N -1.07 0.00 -0.88 0.04 -0.00 -1.74 0.30 115.11 111.75 2j8p h GLN 561 Ca -0.10 0.00 0.22 0.00 -0.00 0.00 0.00 58.65 58.77 2j8p h GLN 561 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.19 2j8p h GLN 561 CO 0.17 0.00 0.60 1.03 0.00 0.00 0.00 178.83 180.63 2j8p h SER 562 N 0.00 0.25 -0.76 -0.69 0.87 -1.50 0.54 113.55 112.25 2j8p h SER 562 Ca 0.10 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 2j8p h SER 562 Cb 1.22 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 2j8p h SER 562 CO -0.00 0.10 0.26 -0.29 -0.53 0.00 0.00 176.83 176.36 2j8p h ILE 563 N 0.25 1.26 -0.45 2.23 2.10 -0.52 -0.56 117.51 121.82 2j8p h ILE 563 Ca 0.45 -0.89 0.02 0.00 1.08 0.00 0.00 64.86 65.51 2j8p h ILE 563 Cb 1.35 0.40 -0.02 0.00 -1.09 0.00 0.00 36.82 37.46 2j8p h ILE 563 CO -0.12 0.36 0.30 0.25 -1.08 0.00 0.00 178.15 177.86 2j8p h LEU 564 N 1.13 0.47 -0.10 2.19 6.46 -0.08 1.02 115.31 126.41 2j8p h LEU 564 Ca 0.25 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 2j8p h LEU 564 Cb 0.29 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2j8p h LEU 564 CO -0.01 0.33 -0.27 0.40 -0.62 0.00 0.00 178.44 178.27 2j8p h ILE 565 N 0.55 1.40 -0.30 4.05 2.04 -0.93 -2.34 117.51 121.98 2j8p h ILE 565 Ca 0.17 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 2j8p h ILE 565 Cb 0.02 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2j8p h ILE 565 CO -0.04 0.46 -0.15 0.25 0.00 0.00 0.00 178.15 178.68 2j8p h LEU 566 N -0.09 0.51 -0.84 1.44 5.85 -0.26 -2.35 115.31 119.58 2j8p h LEU 566 Ca -0.01 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2j8p h LEU 566 Cb 0.88 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2j8p h LEU 566 CO 0.06 0.68 0.49 0.50 -0.34 0.00 0.00 178.44 179.83 2j8p h LYS 567 N 0.48 1.15 -0.36 1.25 3.11 0.11 -1.34 116.57 120.97 2j8p h LYS 567 Ca 0.08 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 2j8p h LYS 567 Cb 0.54 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2j8p h LYS 567 CO 0.03 0.82 0.14 1.05 -2.81 0.00 0.00 179.45 178.68 2j8p h GLU 568 N 1.16 0.51 -0.61 1.90 -0.00 -0.89 -1.82 114.58 114.83 2j8p h GLU 568 Ca 0.30 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.36 59.51 2j8p h GLU 568 Cb -0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 28.61 2j8p h GLU 568 CO -0.05 0.44 0.07 1.96 -0.00 0.00 0.00 179.01 181.43 2j8p h GLN 569 N 0.51 1.01 -0.80 1.06 4.20 -0.97 -2.25 115.11 117.88 2j8p h GLN 569 Ca 0.13 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2j8p h GLN 569 Cb 0.12 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2j8p h GLN 569 CO -0.01 0.95 0.53 0.82 -0.67 0.00 0.00 178.83 180.45 2j8p h ILE 570 N 0.95 1.19 -0.47 2.54 2.04 -0.78 -1.84 117.51 121.14 2j8p h ILE 570 Ca 0.19 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2j8p h ILE 570 Cb 0.45 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2j8p h ILE 570 CO 0.02 0.19 0.10 1.56 0.00 0.00 0.00 178.15 180.02 2j8p h GLN 571 N 1.06 0.76 -6.95 2.37 4.20 -1.15 -3.46 115.11 111.93 2j8p h GLN 571 Ca 0.30 -0.19 -0.60 0.00 0.06 0.00 0.00 58.65 58.22 2j8p h GLN 571 Cb -0.08 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.49 2j8p h GLN 571 CO -0.07 0.76 -0.98 0.36 -0.67 0.00 0.00 178.83 178.22 2j8p n LYS 572 N -4.48 -0.86 -3.52 1.46 2.85 -0.70 -4.93 118.16 108.00 2j8p n LYS 572 Ca 0.01 0.12 -0.13 0.00 -1.05 0.00 0.00 58.31 57.26 2j8p n LYS 572 Cb 0.23 -3.25 -0.11 0.00 -0.65 0.00 0.00 35.03 31.25 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2j8p s SER 573 N -4.01 0.52 -0.07 -5.58 0.15 -1.26 -5.04 113.70 98.40 2j8p s SER 573 Ca 0.22 0.30 -0.05 0.00 0.70 0.00 0.00 55.95 57.12 2j8p s SER 573 Cb -0.12 0.83 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 2j8p s SER 573 CO 0.98 -0.28 0.11 0.41 1.20 0.00 0.00 173.24 175.65 2j8p n THR 574 N 5.35-12.95 -3.12 6.45 -1.04 -1.26 -4.87 114.28 102.85 2j8p n THR 574 Ca -0.05 2.93 -0.45 0.00 -2.04 0.00 0.00 64.05 64.43 2j8p n THR 574 Cb 0.50 -6.23 -0.02 0.00 -1.82 0.00 0.00 70.33 62.76 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 -0.61 2.34 -0.24 3.41 0.00 -1.26 -5.00 107.32 105.96 2j8p s GLY 575 Ca -0.13 -3.10 -0.42 0.00 0.00 0.00 0.00 44.72 41.07 2j8p s GLY 575 CO 0.34 1.66 1.43 0.00 0.00 0.00 0.00 173.10 176.53 2j8p n ALA 576 N 5.21 -1.84 1.50 3.20 0.00 -1.26 -5.28 120.51 122.03 2j8p n ALA 576 Ca 0.21 0.51 0.12 0.00 0.00 0.00 0.00 53.44 54.28 2j8p n ALA 576 Cb 0.47 -1.94 0.71 0.00 0.00 0.00 0.00 19.45 18.70 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15