#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 -0.96 -0.41 2.00 -1.26 -4.80 117.12 111.69 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 -1.35 0.05 0.00 0.00 0.00 0.00 33.22 31.92 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 5.45 0.00 0.36 2.03 -2.24 -1.26 -4.80 114.28 113.82 2j8p n THR 531 Ca 0.46 -0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.10 2j8p n THR 531 Cb -0.04 -0.09 0.44 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.11 0.00 -0.31 -0.78 0.13 -2.00 -3.07 132.00 124.86 2j8p h PRO 532 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.54 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 0.24 0.00 -0.47 0.37 -0.23 0.00 0.00 178.00 177.91 2j8p h GLN 533 N 0.00 0.82 -0.51 0.86 -0.00 -1.96 -1.48 115.11 112.84 2j8p h GLN 533 Ca 0.00 -0.47 -0.01 0.00 -0.00 0.00 0.00 58.65 58.16 2j8p h GLN 533 Cb 0.67 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.16 2j8p h GLN 533 CO 0.00 1.11 0.26 0.22 0.00 0.00 0.00 178.83 180.42 2j8p h ASP 534 N 0.65 0.65 0.51 -0.69 3.58 -1.86 -1.21 116.42 118.05 2j8p h ASP 534 Ca 0.04 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 2j8p h ASP 534 Cb 1.05 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2j8p h ASP 534 CO 0.10 0.58 -0.24 0.45 -2.88 0.00 0.00 179.24 177.25 2j8p h HIS 535 N 0.67 0.00 -0.04 0.28 3.86 -1.58 -0.87 115.15 117.47 2j8p h HIS 535 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2j8p h HIS 535 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2j8p h HIS 535 CO -0.01 0.24 0.00 -1.91 0.86 0.00 0.00 177.93 177.11 2j8p n GLU 536 N -3.73 1.19 0.29 2.45 2.13 -0.51 -3.49 120.64 118.96 2j8p n GLU 536 Ca -0.01 -0.29 0.16 0.00 0.66 0.00 0.00 57.16 57.68 2j8p n GLU 536 Cb 0.35 -1.33 0.84 0.00 0.27 0.00 0.00 31.44 31.57 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 0.59 0.00 -0.05 5.31 1.79 -0.53 -0.57 116.57 123.10 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 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 2j8p h LYS 537 CO 0.00 0.06 -0.43 0.00 -1.08 0.00 0.00 179.45 178.00 2j8p h ALA 538 N 1.94 1.19 -0.64 3.86 0.00 -1.77 -2.39 119.26 121.44 2j8p h ALA 538 Ca -0.00 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2j8p h ALA 538 Cb 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2j8p h ALA 538 CO 0.01 0.57 0.33 0.00 0.00 0.00 0.00 179.25 180.17 2j8p h ALA 539 N 1.47 0.85 -0.39 0.00 0.00 -1.36 3.46 119.26 123.29 2j8p h ALA 539 Ca 0.01 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2j8p h ALA 539 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2j8p h ALA 539 CO 0.06 -0.01 -0.21 1.25 0.00 0.00 0.00 179.25 180.34 2j8p h LEU 540 N 0.61 0.87 -0.08 0.00 5.85 -1.57 -2.17 115.31 118.83 2j8p h LEU 540 Ca 0.29 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2j8p h LEU 540 Cb 0.22 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2j8p h LEU 540 CO -0.20 1.09 -0.03 -0.38 -0.34 0.00 0.00 178.44 178.58 2j8p n ILE 541 N -4.22 0.00 0.05 4.05 5.41 -0.55 -3.37 119.36 120.72 2j8p n ILE 541 Ca -0.02 -0.02 -0.02 0.00 1.00 0.00 0.00 62.75 63.70 2j8p n ILE 541 Cb 0.44 -0.38 0.25 0.00 -0.71 0.00 0.00 39.64 39.24 2j8p n ILE 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2j8p h MET 542 N 0.19 0.39 -0.25 0.38 -0.00 0.71 -2.11 114.93 114.23 2j8p h MET 542 Ca 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 2j8p h MET 542 Cb 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.81 2j8p h MET 542 CO 0.00 0.61 0.09 1.96 -0.00 0.00 0.00 176.91 179.57 2j8p h GLN 543 N 0.35 0.38 -0.18 -0.10 4.20 -1.64 0.37 115.11 118.49 2j8p h GLN 543 Ca 0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2j8p h GLN 543 Cb 0.62 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2j8p h GLN 543 CO 0.04 0.43 -0.07 0.28 -0.67 0.00 0.00 178.83 178.85 2j8p h VAL 544 N 0.25 1.16 0.00 -0.54 2.07 -1.72 -3.17 116.25 114.29 2j8p h VAL 544 Ca 0.08 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2j8p h VAL 544 Cb 0.20 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2j8p h VAL 544 CO -0.01 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2j8p n LEU 545 N -4.32 0.00 -0.03 2.57 7.99 -0.81 -4.82 117.00 117.59 2j8p n LEU 545 Ca -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.02 2j8p n LEU 545 Cb 0.23 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.44 2j8p n LEU 545 CO 0.37 0.00 -0.76 0.00 -1.51 0.00 0.00 177.39 175.50 2j8p n GLN 546 N 0.00 0.98 -2.36 3.23 3.00 -0.92 -5.07 117.38 116.24 2j8p n GLN 546 Ca 0.00 -0.08 -0.03 0.00 -0.01 0.00 0.00 57.00 56.88 2j8p n GLN 546 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 28.92 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 -2.16 -6.02 0.00 1.08 7.94 0.12 -4.97 117.00 112.99 2j8p n LEU 547 Ca -0.09 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 2j8p n LEU 547 Cb 0.57 -2.60 0.00 0.00 0.53 0.00 0.00 43.42 41.92 2j8p n LEU 547 CO 0.28 -1.86 0.00 0.35 -1.11 0.00 0.00 177.39 175.05 2j8p n THR 548 N 0.03 0.00 0.00 1.96 -2.24 -1.26 -4.98 114.28 107.79 2j8p n THR 548 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2j8p n THR 548 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2j8p n THR 548 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j8p n ALA 549 N -1.91 0.00 -0.31 6.98 0.00 -1.26 -4.65 120.51 119.36 2j8p n ALA 549 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j8p n ALA 549 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 1.01 -0.54 0.00 1.82 -1.98 0.27 116.42 117.00 2j8p h ASP 550 Ca 0.00 -0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.53 2j8p h ASP 550 Cb 0.00 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.74 2j8p h ASP 550 CO 0.00 0.72 0.02 1.56 -1.61 0.00 0.00 179.24 179.93 2j8p h GLN 551 N 1.19 0.98 0.00 0.28 4.20 -1.99 -2.23 115.11 117.54 2j8p h GLN 551 Ca 0.34 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 2j8p h GLN 551 Cb -0.10 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2j8p h GLN 551 CO -0.08 0.95 -0.51 0.82 -0.67 0.00 0.00 178.83 179.34 2j8p h ILE 552 N 0.90 1.23 0.00 2.54 1.08 -1.64 -2.60 117.51 119.02 2j8p h ILE 552 Ca 0.17 -1.84 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 2j8p h ILE 552 Cb 0.50 2.03 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2j8p h ILE 552 CO 0.02 0.50 -0.06 0.00 -0.69 0.00 0.00 178.15 177.92 2j8p h ALA 553 N 1.49 1.88 -0.00 1.87 0.00 0.12 0.23 119.26 124.85 2j8p h ALA 553 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 553 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2j8p h ALA 553 CO 0.07 0.08 -0.03 -1.33 0.00 0.00 0.00 179.25 178.03 2j8p n MET 554 N -4.45 0.72 -3.59 0.00 2.81 -0.98 -4.81 117.12 106.82 2j8p n MET 554 Ca -0.03 -0.11 -0.34 0.00 -1.81 0.00 0.00 57.70 55.41 2j8p n MET 554 Cb 0.14 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.10 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 -2.36 4.33 0.99 4.03 1.43 0.81 -5.09 118.68 122.81 2j8p s LEU 555 Ca 0.34 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.06 2j8p s LEU 555 Cb 0.21 -3.06 0.18 0.00 0.03 0.00 0.00 46.19 43.55 2j8p s LEU 555 CO 0.43 0.14 1.17 -2.16 0.23 0.00 0.00 176.35 176.17 2j8p s PRO 556 N -2.07 0.51 0.10 1.29 0.04 -1.26 -4.78 135.00 128.83 2j8p s PRO 556 Ca 0.35 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.34 2j8p s PRO 556 Cb -0.13 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 2j8p s PRO 556 CO 0.19 -2.58 1.27 -1.00 0.04 0.00 0.00 177.00 174.92 2j8p h PRO 557 N -1.77 0.65 0.00 0.56 0.13 -1.98 0.53 132.00 130.12 2j8p h PRO 557 Ca -0.48 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.02 2j8p h PRO 557 Cb 1.30 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2j8p h PRO 557 CO 0.51 1.24 0.00 -1.91 -0.23 0.00 0.00 178.00 177.60 2j8p n GLU 558 N -3.85 0.16 -0.03 0.86 2.13 -1.26 -2.72 120.64 115.92 2j8p n GLU 558 Ca -0.09 0.18 -0.04 0.00 0.66 0.00 0.00 57.16 57.87 2j8p n GLU 558 Cb 0.82 -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 -1.32 0.73 0.10 5.31 6.02 -1.11 -4.42 117.38 122.69 2j8p n GLN 559 Ca 0.06 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 2j8p n GLN 559 Cb 0.11 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.56 -0.14 -1.09 2.43 0.26 0.58 114.38 115.86 2j8p h ARG 560 Ca -0.15 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2j8p h ARG 560 Cb 1.26 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2j8p h ARG 560 CO -0.02 -0.37 0.18 0.37 -1.51 0.00 0.00 179.97 178.62 2j8p h GLN 561 N -0.58 0.00 -1.07 0.20 4.15 -1.60 -1.19 115.11 115.02 2j8p h GLN 561 Ca -0.01 0.00 0.29 0.00 0.77 0.00 0.00 58.65 59.70 2j8p h GLN 561 Cb 0.57 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.15 2j8p h GLN 561 CO -0.19 0.00 0.67 1.03 -1.93 0.00 0.00 178.83 178.41 2j8p h SER 562 N 0.00 0.46 -0.77 -0.69 0.87 -1.09 1.00 113.55 113.35 2j8p h SER 562 Ca 0.07 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2j8p h SER 562 Cb 0.42 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 2j8p h SER 562 CO -0.00 0.02 0.38 0.40 -0.53 0.00 0.00 176.83 177.10 2j8p h ILE 563 N 0.37 1.24 -0.39 2.23 2.04 -1.20 -0.41 117.51 121.39 2j8p h ILE 563 Ca 0.65 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2j8p h ILE 563 Cb 1.64 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2j8p h ILE 563 CO -0.38 0.28 0.23 0.25 0.00 0.00 0.00 178.15 178.53 2j8p h LEU 564 N 1.07 0.46 -0.13 1.44 6.46 0.87 1.14 115.31 126.62 2j8p h LEU 564 Ca 0.26 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2j8p h LEU 564 Cb 0.10 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2j8p h LEU 564 CO -0.04 0.36 -0.13 0.40 -0.62 0.00 0.00 178.44 178.41 2j8p h ILE 565 N 0.54 1.35 -0.18 4.05 1.08 -0.40 -1.60 117.51 122.36 2j8p h ILE 565 Ca 0.14 -1.29 -0.11 0.00 -0.39 0.00 0.00 64.86 63.21 2j8p h ILE 565 Cb -0.02 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2j8p h ILE 565 CO -0.03 0.38 -0.36 -0.07 -0.69 0.00 0.00 178.15 177.38 2j8p h LEU 566 N -0.06 0.38 -0.17 1.44 4.07 -0.34 -0.51 115.31 120.12 2j8p h LEU 566 Ca 0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 2j8p h LEU 566 Cb 0.66 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2j8p h LEU 566 CO 0.03 0.72 0.10 0.11 -1.08 0.00 0.00 178.44 178.32 2j8p h LYS 567 N 0.32 0.23 -0.29 1.13 1.79 0.14 0.90 116.57 120.79 2j8p h LYS 567 Ca 0.04 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2j8p h LYS 567 Cb 0.78 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2j8p h LYS 567 CO 0.06 0.20 -0.26 1.05 -1.08 0.00 0.00 179.45 179.42 2j8p h GLU 568 N 0.20 0.56 -0.64 3.15 4.11 -1.09 -2.73 114.58 118.14 2j8p h GLU 568 Ca 0.06 -0.22 -0.05 0.00 0.07 0.00 0.00 59.36 59.22 2j8p h GLU 568 Cb 0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2j8p h GLU 568 CO -0.01 0.77 0.22 0.37 0.07 0.00 0.00 179.01 180.43 2j8p h GLN 569 N 0.49 0.97 -0.93 1.06 5.75 -0.58 -2.05 115.11 119.82 2j8p h GLN 569 Ca 0.07 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2j8p h GLN 569 Cb 0.71 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 2j8p h GLN 569 CO 0.05 0.81 0.61 0.82 -2.65 0.00 0.00 178.83 178.48 2j8p h ILE 570 N 0.94 1.17 -0.51 2.39 2.04 -0.52 -1.86 117.51 121.15 2j8p h ILE 570 Ca 0.21 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2j8p h ILE 570 Cb 0.24 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 2j8p h ILE 570 CO -0.01 0.22 0.16 1.56 0.00 0.00 0.00 178.15 180.08 2j8p h GLN 571 N 1.19 0.80 -4.03 2.37 4.20 -1.28 -3.48 115.11 114.87 2j8p h GLN 571 Ca 0.37 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2j8p h GLN 571 Cb -0.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2j8p h GLN 571 CO -0.11 0.74 -0.00 1.63 -0.67 0.00 0.00 178.83 180.41 2j8p n LYS 572 N -4.49 -0.58 -4.07 1.46 4.76 -0.70 -5.05 118.16 109.48 2j8p n LYS 572 Ca 0.02 0.94 -0.26 0.00 -2.87 0.00 0.00 58.31 56.14 2j8p n LYS 572 Cb 0.19 -3.36 -0.05 0.00 -1.84 0.00 0.00 35.03 29.97 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2j8p s SER 573 N -2.42 5.59 0.42 4.39 0.15 -1.26 -5.00 113.70 115.57 2j8p s SER 573 Ca 0.00 -0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.70 2j8p s SER 573 Cb -0.00 -1.48 1.03 0.00 -1.71 0.00 0.00 66.02 63.86 2j8p s SER 573 CO 0.33 0.07 1.90 0.00 1.20 0.00 0.00 173.24 176.74 2j8p h THR 574 N 2.02 0.78 0.00 6.45 1.03 -1.98 -3.48 112.91 117.73 2j8p h THR 574 Ca -0.48 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.77 2j8p h THR 574 Cb 1.20 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 2j8p h THR 574 CO 0.64 0.08 0.00 0.61 -0.01 0.00 0.00 175.52 176.84 2j8p n GLY 575 N -1.51 0.74 2.80 2.99 0.00 -1.26 -5.09 105.19 103.86 2j8p n GLY 575 Ca 0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.00 -2.30 1.50 4.61 0.00 -1.26 -5.23 120.51 116.83 2j8p n ALA 576 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2j8p n ALA 576 Cb 0.00 -1.64 0.71 0.00 0.00 0.00 0.00 19.45 18.52 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15