#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 -0.92 -0.41 2.00 -1.26 -4.81 117.12 111.72 2j8p n MET 530 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 2j8p n MET 530 Cb 0.00 -1.29 0.07 0.00 0.00 0.00 0.00 33.22 32.00 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 4.96 0.00 0.59 2.03 -2.24 -1.26 -4.79 114.28 113.57 2j8p n THR 531 Ca 0.41 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 2j8p n THR 531 Cb -0.04 -0.17 0.46 0.00 -2.10 0.00 0.00 70.33 68.48 2j8p n THR 531 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2j8p n PRO 532 N 1.28 0.16 -0.08 -0.78 -0.04 -1.26 -2.97 135.00 131.31 2j8p n PRO 532 Ca -0.01 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.56 2j8p n PRO 532 Cb 0.68 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 2j8p n PRO 532 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2j8p h GLN 533 N 0.00 0.88 -0.50 0.54 -0.00 -1.97 -2.08 115.11 111.98 2j8p h GLN 533 Ca 0.00 -0.56 -0.08 0.00 -0.00 0.00 0.00 58.65 58.01 2j8p h GLN 533 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 2j8p h GLN 533 CO 0.00 1.19 -0.02 0.22 0.00 0.00 0.00 178.83 180.23 2j8p h ASP 534 N 0.67 0.83 0.55 -0.69 1.82 -1.85 -1.73 116.42 116.02 2j8p h ASP 534 Ca 0.02 -0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 56.39 2j8p h ASP 534 Cb 1.15 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.93 2j8p h ASP 534 CO 0.12 0.90 -0.25 0.45 -1.61 0.00 0.00 179.24 178.85 2j8p h HIS 535 N 0.79 0.00 -0.22 0.28 3.86 -1.57 -1.14 115.15 117.14 2j8p h HIS 535 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2j8p h HIS 535 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2j8p h HIS 535 CO 0.03 0.25 0.00 0.39 0.86 0.00 0.00 177.93 179.46 2j8p n GLU 536 N -3.70 1.54 0.25 2.45 1.02 -0.67 -3.68 120.64 117.85 2j8p n GLU 536 Ca -0.01 -0.84 0.13 0.00 -0.02 0.00 0.00 57.16 56.42 2j8p n GLU 536 Cb 0.37 -1.20 0.62 0.00 -0.02 0.00 0.00 31.44 31.20 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 1.39 0.00 -0.06 3.49 1.79 -0.97 -2.06 116.57 120.15 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 0.14 -0.16 0.00 -1.08 0.00 0.00 179.45 178.35 2j8p h ALA 538 N 1.86 1.62 -0.71 3.86 0.00 -1.78 -1.45 119.26 122.66 2j8p h ALA 538 Ca -0.00 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2j8p h ALA 538 Cb 0.55 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2j8p h ALA 538 CO 0.02 0.28 0.48 0.00 0.00 0.00 0.00 179.25 180.03 2j8p h ALA 539 N 1.75 2.12 0.00 0.00 0.00 -1.66 2.30 119.26 123.77 2j8p h ALA 539 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 539 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2j8p h ALA 539 CO 0.02 -0.31 -0.23 1.25 0.00 0.00 0.00 179.25 179.98 2j8p h LEU 540 N 0.39 0.00 -2.60 0.00 5.85 -1.41 -1.83 115.31 115.71 2j8p h LEU 540 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2j8p h LEU 540 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2j8p h LEU 540 CO -0.10 0.23 0.00 -0.38 -0.34 0.00 0.00 178.44 177.85 2j8p n ILE 541 N -4.02 0.80 0.09 4.05 5.41 0.25 -4.52 119.36 121.43 2j8p n ILE 541 Ca -0.02 -0.90 -0.01 0.00 1.00 0.00 0.00 62.75 62.82 2j8p n ILE 541 Cb 0.31 0.64 0.28 0.00 -0.71 0.00 0.00 39.64 40.15 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 1.83 0.29 -0.86 0.38 2.86 0.43 -1.95 114.93 117.91 2j8p h MET 542 Ca 0.00 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2j8p h MET 542 Cb 0.65 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2j8p h MET 542 CO 0.00 0.55 0.53 1.96 1.06 0.00 0.00 176.91 181.01 2j8p h GLN 543 N 0.26 1.16 -0.22 1.72 7.50 -1.80 1.99 115.11 125.72 2j8p h GLN 543 Ca 0.04 -0.10 -0.12 0.00 0.50 0.00 0.00 58.65 58.97 2j8p h GLN 543 Cb 0.63 -0.25 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 2j8p h GLN 543 CO 0.05 0.81 -0.33 0.28 -1.50 0.00 0.00 178.83 178.13 2j8p h VAL 544 N 1.18 1.32 -0.59 -0.54 2.07 -1.81 -2.86 116.25 115.03 2j8p h VAL 544 Ca 0.31 -1.53 -0.17 0.00 0.82 0.00 0.00 66.70 66.13 2j8p h VAL 544 Cb -0.07 1.77 -0.10 0.00 -1.52 0.00 0.00 31.29 31.37 2j8p h VAL 544 CO -0.06 0.48 0.21 0.18 0.02 0.00 0.00 177.57 178.40 2j8p n LEU 545 N -4.29 5.25 -0.22 2.57 4.32 -0.76 -3.98 117.00 119.89 2j8p n LEU 545 Ca -0.05 -2.72 0.12 0.00 -0.02 0.00 0.00 56.01 53.34 2j8p n LEU 545 Cb 0.49 -0.70 0.26 0.00 -1.62 0.00 0.00 43.42 41.85 2j8p n LEU 545 CO 0.45 0.70 0.51 0.00 -1.22 0.00 0.00 177.39 177.83 2j8p n GLN 546 N -0.03 0.68 -0.61 3.23 1.13 0.67 -3.68 117.38 118.77 2j8p n GLN 546 Ca 0.32 -0.44 0.46 0.00 -1.94 0.00 0.00 57.00 55.40 2j8p n GLN 546 Cb 1.18 -1.49 0.72 0.00 0.11 0.00 0.00 30.24 30.76 2j8p n GLN 546 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2j8p n LEU 547 N -0.77 0.04 0.02 1.08 -0.00 -1.26 -3.22 117.00 112.89 2j8p n LEU 547 Ca 0.10 0.97 0.00 0.00 -0.00 0.00 0.00 56.01 57.08 2j8p n LEU 547 Cb 0.36 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2j8p n LEU 547 CO 0.29 -0.99 -0.13 0.41 -0.00 0.00 0.00 177.39 176.97 2j8p n THR 548 N -3.88 0.08 0.00 1.47 -1.04 -1.26 -5.02 114.28 104.63 2j8p n THR 548 Ca 0.40 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 2j8p n THR 548 Cb 1.76 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 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 -2.83 0.00 -0.13 2.41 0.00 -1.20 -4.79 120.51 113.98 2j8p n ALA 549 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2j8p n ALA 549 Cb 0.13 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.68 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 0.85 -0.21 0.00 3.58 -1.90 1.58 116.42 120.31 2j8p h ASP 550 Ca 0.00 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.14 2j8p h ASP 550 Cb 0.00 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2j8p h ASP 550 CO 0.00 0.96 -0.09 1.56 -2.88 0.00 0.00 179.24 178.79 2j8p h GLN 551 N 0.78 0.44 -0.16 0.28 7.50 -1.91 0.47 115.11 122.51 2j8p h GLN 551 Ca 0.13 -0.19 -0.17 0.00 0.50 0.00 0.00 58.65 58.92 2j8p h GLN 551 Cb 0.59 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 28.11 2j8p h GLN 551 CO 0.04 0.71 -0.57 0.82 -1.50 0.00 0.00 178.83 178.33 2j8p h ILE 552 N 0.15 1.32 -0.71 2.54 1.08 -1.79 -0.99 117.51 119.11 2j8p h ILE 552 Ca 0.05 -1.82 -0.05 0.00 -0.39 0.00 0.00 64.86 62.65 2j8p h ILE 552 Cb 0.57 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 2j8p h ILE 552 CO 0.03 0.56 0.25 0.00 -0.69 0.00 0.00 178.15 178.30 2j8p h ALA 553 N 0.55 1.09 0.00 1.87 0.00 0.23 -0.99 119.26 122.01 2j8p h ALA 553 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2j8p h ALA 553 Cb 1.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2j8p h ALA 553 CO 0.12 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.67 2j8p n MET 554 N -4.27 0.14 -2.88 0.00 2.81 0.16 -4.82 117.12 108.26 2j8p n MET 554 Ca 0.06 0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.63 2j8p n MET 554 Cb 0.20 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.15 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 -2.85 4.04 0.99 4.03 1.43 -0.38 -5.03 118.68 120.90 2j8p s LEU 555 Ca 0.18 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.76 2j8p s LEU 555 Cb 0.19 -4.34 0.18 0.00 0.03 0.00 0.00 46.19 42.26 2j8p s LEU 555 CO 0.49 -0.27 1.17 -2.16 0.23 0.00 0.00 176.35 175.81 2j8p s PRO 556 N -2.92 0.52 0.16 1.29 0.04 -1.26 -4.77 135.00 128.06 2j8p s PRO 556 Ca 0.58 0.05 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 2j8p s PRO 556 Cb -0.11 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2j8p s PRO 556 CO 0.16 -2.57 1.39 -1.00 0.04 0.00 0.00 177.00 175.01 2j8p h PRO 557 N -1.77 0.32 0.00 0.56 0.13 -1.97 0.43 132.00 129.71 2j8p h PRO 557 Ca -0.48 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2j8p h PRO 557 Cb 1.30 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2j8p h PRO 557 CO 0.50 0.99 0.00 -1.91 -0.23 0.00 0.00 178.00 177.35 2j8p n GLU 558 N -3.75 0.79 0.00 0.86 2.13 -1.26 -3.23 120.64 116.18 2j8p n GLU 558 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2j8p n GLU 558 Cb 0.77 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 31.02 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 -0.96 0.90 -0.37 5.31 6.02 -1.08 -4.59 117.38 122.62 2j8p n GLN 559 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.13 2j8p n GLN 559 Cb 0.08 -0.97 -0.00 0.00 1.02 0.00 0.00 30.24 30.37 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 -2.31 -0.28 0.01 -1.09 1.74 0.15 0.24 116.66 115.11 2j8p n ARG 560 Ca 0.00 1.43 0.02 0.00 -0.77 0.00 0.00 57.85 58.54 2j8p n ARG 560 Cb 0.47 -2.12 0.38 0.00 -1.02 0.00 0.00 32.46 30.17 2j8p n ARG 560 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2j8p h GLN 561 N 0.00 0.52 -1.35 5.56 -0.00 -1.68 -1.88 115.11 116.28 2j8p h GLN 561 Ca 0.27 -0.06 0.40 0.00 -0.00 0.00 0.00 58.65 59.26 2j8p h GLN 561 Cb 0.51 -0.10 -0.08 0.00 0.00 0.00 0.00 27.48 27.80 2j8p h GLN 561 CO -0.91 0.43 0.93 1.03 0.00 0.00 0.00 178.83 180.30 2j8p h SER 562 N 0.52 0.15 -0.83 -0.69 0.87 0.29 1.66 113.55 115.52 2j8p h SER 562 Ca 0.13 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2j8p h SER 562 Cb 0.10 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2j8p h SER 562 CO -0.01 -0.03 0.43 -0.29 -0.53 0.00 0.00 176.83 176.39 2j8p h ILE 563 N 0.10 1.25 -0.72 2.23 6.09 -1.08 0.78 117.51 126.17 2j8p h ILE 563 Ca 0.71 -0.66 0.04 0.00 -1.37 0.00 0.00 64.86 63.59 2j8p h ILE 563 Cb 2.49 0.17 -0.04 0.00 0.47 0.00 0.00 36.82 39.90 2j8p h ILE 563 CO -0.17 0.29 0.47 0.25 -3.07 0.00 0.00 178.15 175.92 2j8p h LEU 564 N 1.16 0.72 -0.11 2.19 6.46 0.23 1.74 115.31 127.70 2j8p h LEU 564 Ca 0.29 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.95 2j8p h LEU 564 Cb 0.07 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2j8p h LEU 564 CO -0.04 0.49 -0.30 0.40 -0.62 0.00 0.00 178.44 178.36 2j8p h ILE 565 N 0.83 1.39 -0.32 4.05 2.04 -1.00 0.74 117.51 125.24 2j8p h ILE 565 Ca 0.30 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 2j8p h ILE 565 Cb 0.13 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2j8p h ILE 565 CO -0.09 0.48 0.04 -0.07 0.00 0.00 0.00 178.15 178.50 2j8p h LEU 566 N -0.03 0.52 -0.61 1.44 -0.00 0.03 0.06 115.31 116.72 2j8p h LEU 566 Ca -0.01 -0.27 -0.13 0.00 -0.00 0.00 0.00 57.88 57.47 2j8p h LEU 566 Cb 0.92 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.43 2j8p h LEU 566 CO 0.07 0.66 -0.33 0.50 -0.00 0.00 0.00 178.44 179.34 2j8p h LYS 567 N 0.36 0.74 -0.54 1.13 1.63 0.26 -2.76 116.57 117.39 2j8p h LYS 567 Ca 0.10 -0.35 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 2j8p h LYS 567 Cb 0.37 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2j8p h LYS 567 CO 0.01 0.97 0.22 1.49 -3.45 0.00 0.00 179.45 178.68 2j8p h GLU 568 N 0.62 0.78 -0.88 1.90 4.81 0.77 -2.08 114.58 120.50 2j8p h GLU 568 Ca 0.07 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2j8p h GLU 568 Cb 0.86 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2j8p h GLU 568 CO 0.08 0.64 0.49 1.96 -0.73 0.00 0.00 179.01 181.44 2j8p h GLN 569 N 0.77 1.22 -0.89 1.92 4.20 -0.70 -1.00 115.11 120.63 2j8p h GLN 569 Ca 0.19 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2j8p h GLN 569 Cb 0.15 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 2j8p h GLN 569 CO -0.02 0.89 0.58 0.82 -0.67 0.00 0.00 178.83 180.44 2j8p h ILE 570 N 1.22 1.23 -0.52 2.54 2.04 -1.23 -2.15 117.51 120.64 2j8p h ILE 570 Ca 0.31 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2j8p h ILE 570 Cb 0.02 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 2j8p h ILE 570 CO -0.05 0.22 0.17 1.56 0.00 0.00 0.00 178.15 180.05 2j8p h GLN 571 N 1.21 0.80 0.00 2.37 7.50 -1.04 -3.47 115.11 122.47 2j8p h GLN 571 Ca 0.33 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 59.31 2j8p h GLN 571 Cb -0.13 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.28 2j8p h GLN 571 CO -0.07 0.73 0.00 0.36 -1.50 0.00 0.00 178.83 178.36 2j8p n LYS 572 N -4.49 0.00 -3.28 1.46 2.85 -0.45 -4.88 118.16 109.36 2j8p n LYS 572 Ca 0.02 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.07 2j8p n LYS 572 Cb 0.19 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.59 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2j8p n SER 573 N -3.74 -6.27 -4.27 -5.58 2.88 -1.26 -4.95 113.62 90.42 2j8p n SER 573 Ca 0.00 0.21 -0.33 0.00 -1.33 0.00 0.00 58.87 57.41 2j8p n SER 573 Cb 0.00 -2.26 -0.15 0.00 -0.75 0.00 0.00 64.21 61.05 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 -1.44 2.78 0.20 2.46 -1.32 -1.26 -5.10 115.64 111.96 2j8p s THR 574 Ca 0.22 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.68 2j8p s THR 574 Cb -0.03 -2.19 -0.08 0.00 -1.51 0.00 0.00 72.50 68.69 2j8p s THR 574 CO 0.58 0.50 1.20 -0.83 -2.21 0.00 0.00 174.62 173.85 2j8p s GLY 575 N 0.93 2.72 -0.25 6.08 0.00 -1.26 -4.14 107.32 111.40 2j8p s GLY 575 Ca -0.03 0.97 -0.20 0.00 0.00 0.00 0.00 44.72 45.45 2j8p s GLY 575 CO -0.01 1.83 0.36 0.00 0.00 0.00 0.00 173.10 175.27 2j8p n ALA 576 N 2.29 -2.24 1.50 3.20 0.00 -1.26 -5.31 120.51 118.69 2j8p n ALA 576 Ca 0.04 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.83 2j8p n ALA 576 Cb 0.44 -1.52 0.71 0.00 0.00 0.00 0.00 19.45 19.08 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15