#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 -1.64 -0.87 1.57 2.00 -1.26 -5.04 117.12 111.89 2j8p n MET 530 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 57.70 57.23 2j8p n MET 530 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 33.22 31.05 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 -4.64 0.00 0.43 2.03 -2.24 -1.26 -4.98 114.28 103.62 2j8p n THR 531 Ca 0.06 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2j8p n THR 531 Cb 0.54 -1.38 0.45 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.00 0.00 -0.15 -0.78 0.13 -1.98 -3.08 132.00 126.14 2j8p h PRO 532 Ca -0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 2j8p h PRO 532 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 2j8p h PRO 532 CO 0.06 0.00 -0.19 0.37 -0.23 0.00 0.00 178.00 178.01 2j8p h GLN 533 N 0.00 0.40 -0.53 0.86 -0.00 -1.93 0.85 115.11 114.75 2j8p h GLN 533 Ca 0.00 -0.22 -0.07 0.00 -0.00 0.00 0.00 58.65 58.35 2j8p h GLN 533 Cb 0.61 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 2j8p h GLN 533 CO 0.00 0.80 0.03 0.22 0.00 0.00 0.00 178.83 179.88 2j8p h ASP 534 N 0.02 0.83 1.30 -0.69 3.58 -1.93 0.48 116.42 120.01 2j8p h ASP 534 Ca 0.02 -0.20 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 2j8p h ASP 534 Cb 0.75 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2j8p h ASP 534 CO 0.05 0.87 -0.55 0.45 -2.88 0.00 0.00 179.24 177.17 2j8p h HIS 535 N 0.81 0.00 -0.56 0.28 3.86 -1.47 -2.99 115.15 115.08 2j8p h HIS 535 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2j8p h HIS 535 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2j8p h HIS 535 CO 0.03 0.55 0.00 -1.91 0.86 0.00 0.00 177.93 177.46 2j8p n GLU 536 N -3.30 2.39 0.25 2.45 2.13 0.29 -4.07 120.64 120.78 2j8p n GLU 536 Ca 0.01 -2.15 0.13 0.00 0.66 0.00 0.00 57.16 55.82 2j8p n GLU 536 Cb 0.73 -1.47 0.60 0.00 0.27 0.00 0.00 31.44 31.56 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 3.60 0.00 -0.08 5.31 1.79 0.09 -2.15 116.57 125.12 2j8p h LYS 537 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2j8p h LYS 537 Cb 0.82 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2j8p h LYS 537 CO 0.00 0.13 -0.37 0.00 -1.08 0.00 0.00 179.45 178.13 2j8p h ALA 538 N 1.87 1.22 -0.79 3.86 0.00 -1.79 -2.41 119.26 121.22 2j8p h ALA 538 Ca -0.00 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2j8p h ALA 538 Cb 0.58 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2j8p h ALA 538 CO 0.02 0.54 0.52 0.00 0.00 0.00 0.00 179.25 180.32 2j8p h ALA 539 N 1.47 1.74 -0.12 0.00 0.00 -1.68 2.12 119.26 122.80 2j8p h ALA 539 Ca 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2j8p h ALA 539 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2j8p h ALA 539 CO 0.06 0.10 -0.48 1.25 0.00 0.00 0.00 179.25 180.17 2j8p h LEU 540 N 0.75 0.33 -1.29 0.00 5.85 -1.54 -2.29 115.31 117.12 2j8p h LEU 540 Ca 0.36 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2j8p h LEU 540 Cb 0.41 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2j8p h LEU 540 CO -0.14 0.76 -0.01 -0.38 -0.34 0.00 0.00 178.44 178.33 2j8p n ILE 541 N -3.97 0.00 -0.12 4.05 5.41 0.69 -4.13 119.36 121.29 2j8p n ILE 541 Ca -0.02 -0.33 -0.10 0.00 1.00 0.00 0.00 62.75 63.29 2j8p n ILE 541 Cb 0.54 0.86 -0.02 0.00 -0.71 0.00 0.00 39.64 40.31 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 3.16 0.61 -0.28 0.38 4.05 0.39 -0.90 114.93 122.34 2j8p h MET 542 Ca 0.00 -0.18 -0.16 0.00 -0.28 0.00 0.00 59.70 59.09 2j8p h MET 542 Cb 0.68 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 2j8p h MET 542 CO 0.00 0.70 -0.46 -0.56 0.23 0.00 0.00 176.91 176.82 2j8p h GLN 543 N 0.44 0.74 -0.23 0.39 -0.00 -1.72 -2.79 115.11 111.95 2j8p h GLN 543 Ca 0.11 -0.42 -0.03 0.00 -0.00 0.00 0.00 58.65 58.31 2j8p h GLN 543 Cb 0.40 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.89 2j8p h GLN 543 CO 0.01 1.04 -0.01 0.28 -0.00 0.00 0.00 178.83 180.15 2j8p h VAL 544 N 0.59 1.15 0.00 1.86 2.07 -1.71 0.26 116.25 120.47 2j8p h VAL 544 Ca 0.03 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2j8p h VAL 544 Cb 1.02 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2j8p h VAL 544 CO 0.10 0.20 0.00 -0.11 0.02 0.00 0.00 177.57 177.78 2j8p n LEU 545 N -4.34 0.20 -0.09 2.57 -0.00 -0.35 -4.67 117.00 110.33 2j8p n LEU 545 Ca 0.00 0.41 -0.11 0.00 -0.00 0.00 0.00 56.01 56.31 2j8p n LEU 545 Cb 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.53 2j8p n LEU 545 CO 0.37 0.00 -1.08 1.67 -0.00 0.00 0.00 177.39 178.35 2j8p n GLN 546 N -0.44 0.82 0.00 1.96 0.00 -1.16 -5.01 117.38 113.55 2j8p n GLN 546 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 2j8p n GLN 546 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 28.86 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 -2.90 0.00 0.00 1.69 7.94 0.90 -4.93 117.00 119.70 2j8p n LEU 547 Ca -0.31 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 2j8p n LEU 547 Cb 0.90 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.85 2j8p n LEU 547 CO 0.23 0.00 -0.26 0.41 -1.11 0.00 0.00 177.39 176.66 2j8p n THR 548 N -1.67 0.00 -0.12 1.96 -1.04 -1.26 -4.89 114.28 107.27 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 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 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 -2.04 0.00 -0.34 2.41 0.00 -1.26 -4.86 120.51 114.41 2j8p n ALA 549 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2j8p n ALA 549 Cb 0.26 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 1.07 -0.20 0.00 1.82 -1.95 1.12 116.42 118.28 2j8p h ASP 550 Ca 0.00 -0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.53 2j8p h ASP 550 Cb 0.00 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 39.74 2j8p h ASP 550 CO 0.00 0.79 -0.17 1.56 -1.61 0.00 0.00 179.24 179.82 2j8p h GLN 551 N 1.26 0.47 0.00 0.28 7.50 -1.97 -2.86 115.11 119.78 2j8p h GLN 551 Ca 0.34 -0.23 -0.06 0.00 0.50 0.00 0.00 58.65 59.19 2j8p h GLN 551 Cb -0.12 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 2j8p h GLN 551 CO -0.07 0.80 -0.30 0.82 -1.50 0.00 0.00 178.83 178.58 2j8p h ILE 552 N 0.15 0.93 0.00 2.54 1.08 -1.82 -1.78 117.51 118.61 2j8p h ILE 552 Ca 0.04 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 2j8p h ILE 552 Cb 0.70 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 2j8p h ILE 552 CO 0.04 0.29 -0.01 0.00 -0.69 0.00 0.00 178.15 177.78 2j8p h ALA 553 N 1.70 1.28 -0.02 1.87 0.00 0.15 0.41 119.26 124.66 2j8p h ALA 553 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2j8p h ALA 553 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2j8p h ALA 553 CO 0.04 0.01 -0.07 -1.33 0.00 0.00 0.00 179.25 177.90 2j8p n MET 554 N -3.50 1.54 -3.49 0.00 2.81 -0.67 -4.89 117.12 108.92 2j8p n MET 554 Ca -0.03 -0.97 -0.34 0.00 -1.81 0.00 0.00 57.70 54.56 2j8p n MET 554 Cb 0.10 -1.48 -0.05 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 -2.13 4.29 1.00 4.03 1.43 0.15 -5.09 118.68 122.36 2j8p s LEU 555 Ca 0.33 0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 54.16 2j8p s LEU 555 Cb 0.20 -3.26 0.19 0.00 0.03 0.00 0.00 46.19 43.35 2j8p s LEU 555 CO 0.38 0.08 1.18 -2.16 0.23 0.00 0.00 176.35 176.06 2j8p s PRO 556 N -2.22 0.40 0.09 1.29 0.04 -1.26 -4.76 135.00 128.58 2j8p s PRO 556 Ca 0.39 0.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.32 2j8p s PRO 556 Cb -0.13 -1.78 -0.18 0.00 0.04 0.00 0.00 34.50 32.45 2j8p s PRO 556 CO 0.20 -2.64 1.25 -1.00 0.04 0.00 0.00 177.00 174.85 2j8p h PRO 557 N -1.81 0.69 0.00 0.56 0.13 -1.97 0.74 132.00 130.34 2j8p h PRO 557 Ca -0.47 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 63.98 2j8p h PRO 557 Cb 1.30 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2j8p h PRO 557 CO 0.48 1.27 0.00 -1.91 -0.23 0.00 0.00 178.00 177.61 2j8p n GLU 558 N -3.87 0.07 -0.03 0.86 2.13 -1.26 -2.63 120.64 115.91 2j8p n GLU 558 Ca -0.09 0.26 -0.04 0.00 0.66 0.00 0.00 57.16 57.95 2j8p n GLU 558 Cb 0.83 -1.50 -0.03 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 -1.41 1.06 -0.13 5.31 6.02 -1.12 -4.50 117.38 122.62 2j8p n GLN 559 Ca 0.04 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.93 2j8p n GLN 559 Cb 0.11 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.37 -0.33 -1.09 2.43 0.75 0.57 114.38 116.34 2j8p h ARG 560 Ca -0.15 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2j8p h ARG 560 Cb 1.27 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2j8p h ARG 560 CO -0.01 -0.25 0.24 0.37 -1.51 0.00 0.00 179.97 178.81 2j8p h GLN 561 N -0.38 0.00 -1.11 0.20 4.15 -1.68 -0.18 115.11 116.10 2j8p h GLN 561 Ca 0.10 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.84 2j8p h GLN 561 Cb 0.60 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 2j8p h GLN 561 CO -0.58 0.00 0.85 1.03 -1.93 0.00 0.00 178.83 178.19 2j8p h SER 562 N 0.00 0.00 -0.31 -0.69 0.87 -0.07 1.51 113.55 114.86 2j8p h SER 562 Ca 0.16 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 2j8p h SER 562 Cb 0.63 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2j8p h SER 562 CO -0.00 0.00 -0.18 0.40 -0.53 0.00 0.00 176.83 176.52 2j8p h ILE 563 N 0.00 1.27 -0.50 2.23 2.04 -0.96 -1.40 117.51 120.18 2j8p h ILE 563 Ca 0.53 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 65.12 2j8p h ILE 563 Cb 2.21 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 2j8p h ILE 563 CO -0.01 0.43 0.33 0.25 0.00 0.00 0.00 178.15 179.15 2j8p h LEU 564 N 0.69 0.57 -0.13 1.44 6.46 0.20 0.87 115.31 125.42 2j8p h LEU 564 Ca 0.10 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 2j8p h LEU 564 Cb 0.68 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2j8p h LEU 564 CO 0.05 0.41 -0.37 0.40 -0.62 0.00 0.00 178.44 178.31 2j8p h ILE 565 N 0.68 1.37 -0.39 4.05 2.04 -1.16 0.49 117.51 124.59 2j8p h ILE 565 Ca 0.18 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 2j8p h ILE 565 Cb -0.08 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2j8p h ILE 565 CO -0.04 0.50 0.11 -0.07 0.00 0.00 0.00 178.15 178.65 2j8p h LEU 566 N 0.07 0.57 -0.54 1.44 3.38 -0.41 0.38 115.31 120.20 2j8p h LEU 566 Ca -0.01 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 2j8p h LEU 566 Cb 0.99 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2j8p h LEU 566 CO 0.08 0.63 -0.26 0.50 0.09 0.00 0.00 178.44 179.49 2j8p h LYS 567 N 0.48 0.90 -0.55 1.13 3.11 0.73 -2.62 116.57 119.76 2j8p h LYS 567 Ca 0.12 -0.40 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 2j8p h LYS 567 Cb 0.27 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 2j8p h LYS 567 CO -0.00 1.05 0.28 1.49 -2.81 0.00 0.00 179.45 179.46 2j8p h GLU 568 N 0.77 0.77 -0.52 1.90 4.81 0.31 -1.77 114.58 120.84 2j8p h GLU 568 Ca 0.09 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2j8p h GLU 568 Cb 0.82 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2j8p h GLU 568 CO 0.07 0.58 -0.03 1.96 -0.73 0.00 0.00 179.01 180.86 2j8p h GLN 569 N 0.77 0.91 -0.92 1.92 4.20 -0.62 -2.52 115.11 118.85 2j8p h GLN 569 Ca 0.20 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.65 2j8p h GLN 569 Cb 0.05 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 2j8p h GLN 569 CO -0.03 0.92 0.60 0.82 -0.67 0.00 0.00 178.83 180.47 2j8p h ILE 570 N 0.83 1.18 -0.18 2.54 2.04 -0.98 -0.57 117.51 122.38 2j8p h ILE 570 Ca 0.15 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2j8p h ILE 570 Cb 0.53 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2j8p h ILE 570 CO 0.03 0.22 -0.09 1.56 0.00 0.00 0.00 178.15 179.86 2j8p h GLN 571 N 1.19 0.28 -6.26 2.37 7.50 -1.07 -3.40 115.11 115.72 2j8p h GLN 571 Ca 0.36 -0.06 -0.56 0.00 0.50 0.00 0.00 58.65 58.88 2j8p h GLN 571 Cb -0.05 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.41 2j8p h GLN 571 CO -0.10 0.39 1.01 0.21 -1.50 0.00 0.00 178.83 178.84 2j8p s LYS 572 N -4.80 4.02 0.07 1.46 2.20 -0.22 -4.66 119.74 117.81 2j8p s LYS 572 Ca -0.06 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 2j8p s LYS 572 Cb 0.16 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2j8p s LYS 572 CO 0.73 -1.00 0.00 0.45 -0.36 0.00 0.00 175.35 175.17 2j8p n SER 573 N 7.47 -0.32 -3.69 1.43 2.88 -1.26 -4.95 113.62 115.18 2j8p n SER 573 Ca 0.16 0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 57.54 2j8p n SER 573 Cb 0.45 0.46 -0.14 0.00 -0.75 0.00 0.00 64.21 64.24 2j8p n SER 573 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2j8p s THR 574 N -2.00 1.08 0.00 2.46 2.01 -1.26 -5.07 115.64 112.86 2j8p s THR 574 Ca 0.00 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 59.93 2j8p s THR 574 Cb 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.73 2j8p s THR 574 CO 0.00 -0.83 0.00 0.61 -0.69 0.00 0.00 174.62 173.71 2j8p n GLY 575 N 4.04 0.53 3.11 4.40 0.00 -1.26 -4.91 105.19 111.09 2j8p n GLY 575 Ca 0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 0.73 -2.00 4.61 0.00 -1.26 -4.92 121.76 116.92 2j8p s ALA 576 Ca 0.00 -1.02 0.24 0.00 0.00 0.00 0.00 51.96 51.18 2j8p s ALA 576 Cb 0.00 0.10 1.43 0.00 0.00 0.00 0.00 23.12 24.65 2j8p s ALA 576 CO 0.00 -0.13 1.79 -0.35 0.00 0.00 0.00 175.76 177.08