#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 -0.91 -1.40 2.00 -1.26 -4.81 117.12 110.74 2j8p n MET 530 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 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 4.63 0.00 0.55 2.03 -2.24 -1.26 -4.78 114.28 113.21 2j8p n THR 531 Ca 0.38 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 2j8p n THR 531 Cb -0.04 -0.19 0.45 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.11 0.20 -0.08 -0.78 -0.04 -1.26 -2.98 135.00 131.17 2j8p n PRO 532 Ca -0.01 0.29 -0.15 0.00 -0.04 0.00 0.00 63.50 63.60 2j8p n PRO 532 Cb 0.68 -1.79 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.86 -0.47 0.54 -0.00 -1.97 -2.01 115.11 112.06 2j8p h GLN 533 Ca 0.00 -0.54 -0.10 0.00 -0.00 0.00 0.00 58.65 58.01 2j8p h GLN 533 Cb 0.53 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.05 2j8p h GLN 533 CO 0.00 1.18 -0.11 0.22 0.00 0.00 0.00 178.83 180.12 2j8p h ASP 534 N 0.64 0.84 0.52 -0.69 1.82 -1.86 -1.97 116.42 115.73 2j8p h ASP 534 Ca 0.02 -0.26 -0.05 0.00 -0.39 0.00 0.00 57.03 56.35 2j8p h ASP 534 Cb 1.13 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.91 2j8p h ASP 534 CO 0.12 0.97 -0.22 0.45 -1.61 0.00 0.00 179.24 178.95 2j8p h HIS 535 N 0.77 0.00 -0.06 0.28 3.86 -1.55 -0.83 115.15 117.62 2j8p h HIS 535 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2j8p h HIS 535 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2j8p h HIS 535 CO 0.03 0.22 0.00 -1.91 0.86 0.00 0.00 177.93 177.13 2j8p n GLU 536 N -3.69 1.22 0.27 2.45 2.13 -0.75 -3.01 120.64 119.26 2j8p n GLU 536 Ca -0.01 -0.33 0.14 0.00 0.66 0.00 0.00 57.16 57.62 2j8p n GLU 536 Cb 0.34 -1.27 0.76 0.00 0.27 0.00 0.00 31.44 31.54 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 0.64 0.00 -0.12 5.31 1.79 -1.02 -1.24 116.57 121.94 2j8p h LYS 537 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2j8p h LYS 537 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2j8p h LYS 537 CO 0.00 0.10 -0.45 0.00 -1.08 0.00 0.00 179.45 178.02 2j8p h ALA 538 N 1.90 1.02 -0.79 3.86 0.00 -1.78 -2.65 119.26 120.82 2j8p h ALA 538 Ca -0.00 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2j8p h ALA 538 Cb 0.35 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2j8p h ALA 538 CO 0.01 0.63 0.52 0.00 0.00 0.00 0.00 179.25 180.40 2j8p h ALA 539 N 1.30 1.70 -0.55 0.00 0.00 -1.48 1.88 119.26 122.11 2j8p h ALA 539 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2j8p h ALA 539 Cb 0.89 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2j8p h ALA 539 CO 0.07 0.15 0.37 1.25 0.00 0.00 0.00 179.25 181.09 2j8p h LEU 540 N 0.78 0.47 0.00 0.00 5.85 -1.52 -1.12 115.31 119.77 2j8p h LEU 540 Ca 0.35 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.86 2j8p h LEU 540 Cb 0.35 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2j8p h LEU 540 CO -0.13 0.31 -1.77 -0.38 -0.34 0.00 0.00 178.44 176.14 2j8p n ILE 541 N -4.47 1.13 0.05 4.05 5.41 0.68 -4.06 119.36 122.15 2j8p n ILE 541 Ca 0.07 -0.72 0.12 0.00 1.00 0.00 0.00 62.75 63.22 2j8p n ILE 541 Cb 0.22 -0.61 0.59 0.00 -0.71 0.00 0.00 39.64 39.13 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 0.18 -0.78 0.38 4.05 0.40 -0.29 114.93 118.88 2j8p h MET 542 Ca -0.25 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2j8p h MET 542 Cb 1.72 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.44 2j8p h MET 542 CO 0.04 0.12 0.51 1.96 0.23 0.00 0.00 176.91 179.77 2j8p h GLN 543 N 0.19 1.02 -0.20 0.39 4.20 -1.49 -0.33 115.11 118.89 2j8p h GLN 543 Ca 0.17 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2j8p h GLN 543 Cb 0.44 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2j8p h GLN 543 CO -0.03 0.68 0.00 0.28 -0.67 0.00 0.00 178.83 179.10 2j8p h VAL 544 N 1.05 1.13 0.00 -0.54 2.07 -1.27 -3.29 116.25 115.41 2j8p h VAL 544 Ca 0.28 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2j8p h VAL 544 Cb -0.11 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2j8p h VAL 544 CO -0.06 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.88 2j8p n LEU 545 N -4.37 0.00 -0.08 2.57 4.32 -0.16 -4.87 117.00 114.41 2j8p n LEU 545 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2j8p n LEU 545 Cb 0.18 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.88 2j8p n LEU 545 CO 0.37 0.00 -1.04 0.00 -1.22 0.00 0.00 177.39 175.50 2j8p n GLN 546 N 0.00 1.06 -1.00 3.23 0.00 -1.13 -5.09 117.38 114.45 2j8p n GLN 546 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.00 57.05 2j8p n GLN 546 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 28.87 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 -2.78 -1.34 -3.15 2.61 0.00 -1.04 -4.97 117.00 106.33 2j8p n LEU 547 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 56.01 55.79 2j8p n LEU 547 Cb 0.91 -0.67 -0.01 0.00 0.00 0.00 0.00 43.42 43.65 2j8p n LEU 547 CO 0.25 0.00 0.72 0.42 0.00 0.00 0.00 177.39 178.77 2j8p s THR 548 N 0.00 -0.08 0.57 1.96 -4.23 -1.26 -5.00 115.64 107.59 2j8p s THR 548 Ca 0.00 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.85 2j8p s THR 548 Cb 0.00 -0.78 0.37 0.00 1.34 0.00 0.00 72.50 73.44 2j8p s THR 548 CO 0.00 0.00 2.25 0.00 -0.54 0.00 0.00 174.62 176.33 2j8p h ALA 549 N 7.78 1.31 -0.85 3.99 0.00 -1.97 -0.54 119.26 128.97 2j8p h ALA 549 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2j8p h ALA 549 Cb 1.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2j8p h ALA 549 CO -0.21 0.02 0.53 0.22 0.00 0.00 0.00 179.25 179.81 2j8p h ASP 550 N 0.00 1.01 -0.65 0.00 1.82 -1.98 0.54 116.42 117.16 2j8p h ASP 550 Ca -0.00 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.51 2j8p h ASP 550 Cb 0.07 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 2j8p h ASP 550 CO 0.00 0.76 0.08 1.56 -1.61 0.00 0.00 179.24 180.03 2j8p h GLN 551 N 1.17 1.10 0.00 0.28 4.20 -1.50 -1.02 115.11 119.34 2j8p h GLN 551 Ca 0.31 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2j8p h GLN 551 Cb -0.08 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2j8p h GLN 551 CO -0.06 1.02 -0.43 0.82 -0.67 0.00 0.00 178.83 179.52 2j8p h ILE 552 N 1.02 0.89 -0.19 2.54 1.08 -1.29 -2.77 117.51 118.79 2j8p h ILE 552 Ca 0.20 -1.77 -0.15 0.00 -0.39 0.00 0.00 64.86 62.74 2j8p h ILE 552 Cb 0.48 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 2j8p h ILE 552 CO 0.02 0.42 -0.51 0.00 -0.69 0.00 0.00 178.15 177.39 2j8p h ALA 553 N 1.57 0.77 -0.00 1.87 0.00 0.67 -2.48 119.26 121.66 2j8p h ALA 553 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2j8p h ALA 553 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2j8p h ALA 553 CO 0.06 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 179.97 2j8p n MET 554 N -3.97 0.26 -2.57 0.00 0.00 -0.44 -4.83 117.12 105.56 2j8p n MET 554 Ca -0.03 -0.01 -0.38 0.00 0.00 0.00 0.00 57.70 57.29 2j8p n MET 554 Cb 0.58 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.25 2j8p n MET 554 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2j8p s LEU 555 N -2.74 4.30 1.00 3.17 1.43 -0.94 -5.04 118.68 119.86 2j8p s LEU 555 Ca 0.23 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 2j8p s LEU 555 Cb 0.20 -3.99 0.20 0.00 0.03 0.00 0.00 46.19 42.62 2j8p s LEU 555 CO 0.49 -0.31 1.18 -2.16 0.23 0.00 0.00 176.35 175.79 2j8p s PRO 556 N -2.10 0.35 0.02 1.29 0.04 -1.26 -4.83 135.00 128.51 2j8p s PRO 556 Ca 0.52 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 2j8p s PRO 556 Cb -0.24 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2j8p s PRO 556 CO 0.31 -2.67 1.18 -1.25 0.04 0.00 0.00 177.00 174.61 2j8p s PRO 557 N -5.49 4.41 0.00 0.56 0.04 -1.26 -2.54 135.00 130.72 2j8p s PRO 557 Ca 0.69 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2j8p s PRO 557 Cb -0.10 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2j8p s PRO 557 CO 0.54 -0.31 0.00 -1.91 0.04 0.00 0.00 177.00 175.36 2j8p n GLU 558 N 4.37 0.00 -0.03 4.56 4.07 -1.26 -4.82 120.64 127.52 2j8p n GLU 558 Ca 0.09 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.10 2j8p n GLU 558 Cb 0.47 -0.50 -0.14 0.00 -0.06 0.00 0.00 31.44 31.20 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2j8p n GLN 559 N -2.00 0.65 0.27 5.31 6.02 -1.05 -3.66 117.38 122.92 2j8p n GLN 559 Ca 0.00 0.26 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 2j8p n GLN 559 Cb 0.00 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 29.46 2j8p n GLN 559 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2j8p h ARG 560 N 0.00 -0.66 0.00 -1.09 3.08 -1.84 -2.19 114.38 111.68 2j8p h ARG 560 Ca -0.33 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2j8p h ARG 560 Cb 2.04 0.15 0.00 0.00 0.08 0.00 0.00 29.97 32.24 2j8p h ARG 560 CO 0.07 -0.44 0.05 0.94 -1.07 0.00 0.00 179.97 179.53 2j8p n GLN 561 N -3.87 0.13 -0.34 0.04 7.27 -1.17 -1.90 117.38 117.56 2j8p n GLN 561 Ca -0.08 0.63 0.24 0.00 0.07 0.00 0.00 57.00 57.85 2j8p n GLN 561 Cb 0.27 -1.99 0.51 0.00 2.41 0.00 0.00 30.24 31.44 2j8p n GLN 561 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2j8p h SER 562 N 0.00 0.44 -0.70 1.69 0.87 -1.46 0.85 113.55 115.24 2j8p h SER 562 Ca 0.00 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2j8p h SER 562 Cb 0.11 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2j8p h SER 562 CO 0.00 0.05 0.39 0.40 -0.53 0.00 0.00 176.83 177.14 2j8p h ILE 563 N 0.37 1.21 -0.33 2.23 2.04 -1.50 0.11 117.51 121.63 2j8p h ILE 563 Ca 0.63 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2j8p h ILE 563 Cb 1.62 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2j8p h ILE 563 CO -0.34 0.23 0.16 0.25 0.00 0.00 0.00 178.15 178.45 2j8p h LEU 564 N 0.96 0.40 -0.09 1.44 6.46 0.49 0.89 115.31 125.86 2j8p h LEU 564 Ca 0.25 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.92 2j8p h LEU 564 Cb 0.02 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2j8p h LEU 564 CO -0.04 0.35 -0.18 0.40 -0.62 0.00 0.00 178.44 178.35 2j8p h ILE 565 N 0.46 1.39 -0.29 4.05 1.08 -0.34 -2.29 117.51 121.56 2j8p h ILE 565 Ca 0.12 -1.45 -0.08 0.00 -0.39 0.00 0.00 64.86 63.05 2j8p h ILE 565 Cb 0.05 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 2j8p h ILE 565 CO -0.02 0.42 -0.16 0.25 -0.69 0.00 0.00 178.15 177.95 2j8p h LEU 566 N -0.16 0.51 -1.27 1.44 5.85 -0.17 -2.15 115.31 119.35 2j8p h LEU 566 Ca 0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2j8p h LEU 566 Cb 0.76 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2j8p h LEU 566 CO 0.04 0.69 0.29 0.11 -0.34 0.00 0.00 178.44 179.24 2j8p h LYS 567 N 0.47 0.79 -0.51 1.25 1.79 0.87 -1.16 116.57 120.08 2j8p h LYS 567 Ca 0.08 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2j8p h LYS 567 Cb 0.56 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2j8p h LYS 567 CO 0.04 0.60 0.27 1.05 -1.08 0.00 0.00 179.45 180.33 2j8p h GLU 568 N 0.80 0.69 -0.51 3.15 -0.00 -0.79 -1.73 114.58 116.19 2j8p h GLU 568 Ca 0.20 -0.07 -0.10 0.00 -0.00 0.00 0.00 59.36 59.39 2j8p h GLU 568 Cb 0.05 -0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 28.64 2j8p h GLU 568 CO -0.03 0.52 -0.08 1.96 -0.00 0.00 0.00 179.01 181.38 2j8p h GLN 569 N 0.70 0.93 -0.50 1.06 4.20 -1.13 -2.40 115.11 117.97 2j8p h GLN 569 Ca 0.18 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2j8p h GLN 569 Cb 0.03 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2j8p h GLN 569 CO -0.03 0.97 0.33 0.82 -0.67 0.00 0.00 178.83 180.25 2j8p h ILE 570 N 0.84 1.09 -0.69 2.54 2.04 -0.95 -1.15 117.51 121.23 2j8p h ILE 570 Ca 0.14 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2j8p h ILE 570 Cb 0.61 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2j8p h ILE 570 CO 0.04 0.11 0.18 1.56 0.00 0.00 0.00 178.15 180.05 2j8p h GLN 571 N 0.63 1.09 -5.09 2.37 1.08 -1.08 -3.48 115.11 110.64 2j8p h GLN 571 Ca 0.19 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 2j8p h GLN 571 Cb 0.01 -0.15 0.08 0.00 -0.05 0.00 0.00 27.48 27.37 2j8p h GLN 571 CO -0.05 0.96 -0.34 1.63 -0.95 0.00 0.00 178.83 180.08 2j8p n LYS 572 N -4.28 -1.52 -0.08 1.46 5.02 -0.44 -5.00 118.16 113.33 2j8p n LYS 572 Ca 0.05 1.08 -0.08 0.00 -2.02 0.00 0.00 58.31 57.34 2j8p n LYS 572 Cb 0.25 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 30.00 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p n SER 573 N -2.28 1.82 -4.25 4.39 2.88 -1.26 -5.05 113.62 109.86 2j8p n SER 573 Ca -0.03 0.34 -0.17 0.00 -1.33 0.00 0.00 58.87 57.69 2j8p n SER 573 Cb 0.55 -0.74 -0.11 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.74 1.31 -0.91 2.46 -1.32 -1.26 -5.09 115.64 108.09 2j8p s THR 574 Ca -0.26 -1.88 -0.20 0.00 -1.21 0.00 0.00 61.69 58.14 2j8p s THR 574 Cb 0.04 -1.68 0.10 0.00 -1.51 0.00 0.00 72.50 69.45 2j8p s THR 574 CO 0.39 -0.55 1.19 -0.83 -2.21 0.00 0.00 174.62 172.61 2j8p s GLY 575 N -2.78 1.68 -0.02 6.08 0.00 -1.26 -4.84 107.32 106.19 2j8p s GLY 575 Ca 0.13 -2.51 -0.26 0.00 0.00 0.00 0.00 44.72 42.08 2j8p s GLY 575 CO 0.03 2.19 1.27 0.00 0.00 0.00 0.00 173.10 176.58 2j8p h ALA 576 N 9.17 -0.00 0.00 3.20 0.00 -2.01 -3.56 119.26 126.05 2j8p h ALA 576 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2j8p h ALA 576 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2j8p h ALA 576 CO 1.19 -0.26 0.00 -0.35 0.00 0.00 0.00 179.25 179.83