#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 -4.81 117.12 111.69 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 -1.42 0.05 0.00 0.00 0.00 0.00 33.22 31.85 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 0.25 2.03 -2.24 -1.26 -4.75 114.28 113.27 2j8p n THR 531 Ca 0.41 -0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 2j8p n THR 531 Cb -0.05 -0.10 0.43 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.13 0.00 -0.33 -0.78 0.13 -1.99 -3.07 132.00 124.82 2j8p h PRO 532 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.01 -0.46 0.37 -0.23 0.00 0.00 178.00 177.94 2j8p h GLN 533 N 0.00 0.87 -0.41 0.86 -0.00 -1.95 -0.57 115.11 113.91 2j8p h GLN 533 Ca -0.00 -0.50 -0.10 0.00 -0.00 0.00 0.00 58.65 58.05 2j8p h GLN 533 Cb 0.76 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.26 2j8p h GLN 533 CO 0.00 1.14 -0.15 0.22 0.00 0.00 0.00 178.83 180.04 2j8p h ASP 534 N 0.69 0.76 0.88 -0.69 3.58 -1.86 0.23 116.42 120.01 2j8p h ASP 534 Ca 0.04 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 2j8p h ASP 534 Cb 1.05 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2j8p h ASP 534 CO 0.10 0.92 -0.38 0.45 -2.88 0.00 0.00 179.24 177.46 2j8p h HIS 535 N 0.68 0.00 -0.51 0.28 3.86 -1.46 -2.46 115.15 115.54 2j8p h HIS 535 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2j8p h HIS 535 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2j8p h HIS 535 CO 0.03 0.38 0.00 0.39 0.86 0.00 0.00 177.93 179.59 2j8p n GLU 536 N -3.51 2.50 0.25 2.45 1.02 -0.23 -3.57 120.64 119.55 2j8p n GLU 536 Ca -0.00 -2.30 0.13 0.00 -0.02 0.00 0.00 57.16 54.97 2j8p n GLU 536 Cb 0.52 -1.52 0.59 0.00 -0.02 0.00 0.00 31.44 31.01 2j8p n GLU 536 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2j8p h LYS 537 N 4.15 0.00 -0.06 3.49 3.11 -0.05 -2.22 116.57 124.99 2j8p h LYS 537 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2j8p h LYS 537 Cb 0.93 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 2j8p h LYS 537 CO 0.00 0.13 -0.38 0.00 -2.81 0.00 0.00 179.45 176.39 2j8p h ALA 538 N 1.87 1.27 -0.89 5.00 0.00 -1.75 -2.45 119.26 122.31 2j8p h ALA 538 Ca -0.00 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.69 2j8p h ALA 538 Cb 0.60 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2j8p h ALA 538 CO 0.02 0.52 0.57 0.00 0.00 0.00 0.00 179.25 180.36 2j8p h ALA 539 N 1.52 1.85 -0.10 0.00 0.00 -1.69 2.71 119.26 123.56 2j8p h ALA 539 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2j8p h ALA 539 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2j8p h ALA 539 CO 0.05 -0.10 -0.48 1.25 0.00 0.00 0.00 179.25 179.97 2j8p h LEU 540 N 0.67 0.28 0.00 0.00 5.85 -1.57 -2.38 115.31 118.16 2j8p h LEU 540 Ca 0.45 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2j8p h LEU 540 Cb 0.75 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2j8p h LEU 540 CO -0.21 0.72 -0.52 -0.38 -0.34 0.00 0.00 178.44 177.72 2j8p n ILE 541 N -3.97 0.01 -0.30 4.05 2.08 0.17 -3.98 119.36 117.43 2j8p n ILE 541 Ca -0.02 -0.01 -0.04 0.00 0.56 0.00 0.00 62.75 63.24 2j8p n ILE 541 Cb 0.53 0.25 0.07 0.00 -0.75 0.00 0.00 39.64 39.74 2j8p n ILE 541 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 2j8p h MET 542 N 0.00 1.10 -0.14 0.38 2.86 0.50 1.76 114.93 121.39 2j8p h MET 542 Ca 0.00 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2j8p h MET 542 Cb 0.51 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2j8p h MET 542 CO 0.00 0.77 -0.03 1.96 1.06 0.00 0.00 176.91 180.67 2j8p h GLN 543 N 1.12 0.27 -0.19 1.72 4.20 -1.69 -3.00 115.11 117.54 2j8p h GLN 543 Ca 0.29 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 2j8p h GLN 543 Cb -0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2j8p h GLN 543 CO -0.06 0.54 -0.43 0.28 -0.67 0.00 0.00 178.83 178.50 2j8p h VAL 544 N -0.03 1.31 0.00 -0.54 2.07 -1.67 -0.21 116.25 117.18 2j8p h VAL 544 Ca 0.04 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2j8p h VAL 544 Cb 0.44 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2j8p h VAL 544 CO 0.01 0.49 0.00 -0.11 0.02 0.00 0.00 177.57 177.99 2j8p n LEU 545 N -4.01 0.00 -0.10 2.57 -0.00 0.60 -4.47 117.00 111.59 2j8p n LEU 545 Ca -0.02 0.29 -0.13 0.00 -0.00 0.00 0.00 56.01 56.15 2j8p n LEU 545 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 2j8p n LEU 545 CO 0.44 0.00 -1.14 1.67 -0.00 0.00 0.00 177.39 178.36 2j8p n GLN 546 N -0.49 0.61 0.00 1.96 0.00 -1.17 -5.01 117.38 113.27 2j8p n GLN 546 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 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 -3.03 0.00 -3.84 1.69 7.94 -0.09 -5.06 117.00 114.61 2j8p n LEU 547 Ca -0.35 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.46 2j8p n LEU 547 Cb 0.89 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.77 2j8p n LEU 547 CO 0.22 0.00 -0.08 0.42 -1.11 0.00 0.00 177.39 176.83 2j8p s THR 548 N 0.00 0.12 -1.60 1.96 -4.23 -1.21 -4.59 115.64 106.09 2j8p s THR 548 Ca 0.00 -0.99 0.28 0.00 -1.18 0.00 0.00 61.69 59.80 2j8p s THR 548 Cb 0.00 -1.09 0.37 0.00 1.34 0.00 0.00 72.50 73.12 2j8p s THR 548 CO 0.00 -0.55 1.76 0.00 -0.54 0.00 0.00 174.62 175.29 2j8p n ALA 549 N 0.36 2.87 -0.21 3.99 0.00 -1.26 -3.73 120.51 122.53 2j8p n ALA 549 Ca -0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 52.90 2j8p n ALA 549 Cb 0.60 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 0.66 0.79 -0.36 0.00 1.82 -1.95 1.61 116.42 118.99 2j8p h ASP 550 Ca 0.00 -0.14 -0.05 0.00 -0.39 0.00 0.00 57.03 56.45 2j8p h ASP 550 Cb 0.41 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2j8p h ASP 550 CO 0.00 0.71 0.04 1.56 -1.61 0.00 0.00 179.24 179.94 2j8p h GLN 551 N 0.82 0.61 0.00 0.28 1.08 -1.97 -2.45 115.11 113.47 2j8p h GLN 551 Ca 0.20 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2j8p h GLN 551 Cb 0.14 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2j8p h GLN 551 CO -0.02 0.69 -0.18 0.82 -0.95 0.00 0.00 178.83 179.20 2j8p h ILE 552 N 0.44 0.37 -0.08 2.54 1.08 -1.65 -2.87 117.51 117.33 2j8p h ILE 552 Ca 0.11 -1.15 0.02 0.00 -0.39 0.00 0.00 64.86 63.45 2j8p h ILE 552 Cb 0.40 1.87 -0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2j8p h ILE 552 CO 0.01 0.17 0.30 0.00 -0.69 0.00 0.00 178.15 177.95 2j8p h ALA 553 N 1.82 1.47 0.00 1.87 0.00 0.29 1.12 119.26 125.83 2j8p h ALA 553 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j8p h ALA 553 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2j8p h ALA 553 CO 0.02 -0.35 0.00 0.52 0.00 0.00 0.00 179.25 179.44 2j8p h MET 554 N 0.00 0.00 -6.46 0.00 2.86 -1.56 -3.44 114.93 106.33 2j8p h MET 554 Ca 0.04 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.15 2j8p h MET 554 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 2j8p h MET 554 CO -0.00 0.00 -0.13 -0.51 1.06 0.00 0.00 176.91 177.33 2j8p s LEU 555 N -4.69 4.11 0.95 1.22 1.43 0.39 -5.09 118.68 117.00 2j8p s LEU 555 Ca 0.07 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 53.85 2j8p s LEU 555 Cb 0.10 -3.61 0.16 0.00 0.03 0.00 0.00 46.19 42.87 2j8p s LEU 555 CO 0.49 -0.13 1.16 -2.16 0.23 0.00 0.00 176.35 175.94 2j8p s PRO 556 N -3.18 0.84 0.15 1.29 0.04 -1.26 -4.79 135.00 128.10 2j8p s PRO 556 Ca 0.46 0.17 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 2j8p s PRO 556 Cb -0.11 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2j8p s PRO 556 CO 0.26 -2.37 1.36 -1.00 0.04 0.00 0.00 177.00 175.29 2j8p h PRO 557 N -1.62 0.37 0.00 0.56 0.13 -1.97 0.45 132.00 129.92 2j8p h PRO 557 Ca -0.49 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2j8p h PRO 557 Cb 1.32 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2j8p h PRO 557 CO 0.56 1.03 0.00 -1.91 -0.23 0.00 0.00 178.00 177.45 2j8p n GLU 558 N -3.77 0.54 -0.00 0.86 2.13 -1.26 -3.04 120.64 116.10 2j8p n GLU 558 Ca -0.05 0.03 -0.00 0.00 0.66 0.00 0.00 57.16 57.79 2j8p n GLU 558 Cb 0.78 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.99 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 -1.09 1.44 -0.36 5.31 6.02 -1.09 -4.75 117.38 122.87 2j8p n GLN 559 Ca 0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.10 2j8p n GLN 559 Cb 0.10 -1.02 0.01 0.00 1.02 0.00 0.00 30.24 30.36 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 -0.03 -1.35 -1.09 3.08 -0.02 2.07 114.38 117.04 2j8p h ARG 560 Ca -0.02 0.00 0.39 0.00 0.07 0.00 0.00 59.98 60.43 2j8p h ARG 560 Cb 1.03 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 2j8p h ARG 560 CO -0.00 -0.02 0.97 0.37 -1.07 0.00 0.00 179.97 180.22 2j8p h GLN 561 N -0.03 0.01 -0.98 0.04 4.15 -1.64 0.20 115.11 116.85 2j8p h GLN 561 Ca 0.30 -0.00 0.34 0.00 0.77 0.00 0.00 58.65 60.06 2j8p h GLN 561 Cb 0.57 -0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.09 2j8p h GLN 561 CO -0.93 0.00 0.39 0.66 -1.93 0.00 0.00 178.83 177.03 2j8p h SER 562 N 0.01 0.15 -0.75 -0.69 4.64 0.31 1.88 113.55 119.09 2j8p h SER 562 Ca 0.64 0.24 0.02 0.00 -0.47 0.00 0.00 61.79 62.22 2j8p h SER 562 Cb 2.57 0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 64.90 2j8p h SER 562 CO -0.01 -0.30 0.49 0.40 -0.87 0.00 0.00 176.83 176.53 2j8p h ILE 563 N 0.11 1.14 -0.84 0.95 1.08 -0.72 0.23 117.51 119.47 2j8p h ILE 563 Ca 0.72 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.84 2j8p h ILE 563 Cb 1.72 0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 2j8p h ILE 563 CO -0.74 0.18 0.45 0.25 -0.69 0.00 0.00 178.15 177.59 2j8p h LEU 564 N 0.97 1.05 -0.17 1.44 6.46 0.27 1.07 115.31 126.39 2j8p h LEU 564 Ca 0.29 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2j8p h LEU 564 Cb -0.04 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.62 2j8p h LEU 564 CO -0.09 0.84 0.02 0.40 -0.62 0.00 0.00 178.44 178.99 2j8p h ILE 565 N 1.17 1.24 -0.26 4.05 2.04 0.15 -1.32 117.51 124.57 2j8p h ILE 565 Ca 0.29 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 2j8p h ILE 565 Cb 0.04 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2j8p h ILE 565 CO -0.05 0.23 -0.21 0.25 0.00 0.00 0.00 178.15 178.38 2j8p h LEU 566 N 0.06 0.48 -1.23 1.44 7.12 -0.11 -2.27 115.31 120.80 2j8p h LEU 566 Ca 0.05 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.90 2j8p h LEU 566 Cb 0.34 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 2j8p h LEU 566 CO 0.01 0.70 0.35 0.11 -0.13 0.00 0.00 178.44 179.48 2j8p h LYS 567 N 0.44 0.89 -0.54 1.25 1.79 0.15 -1.18 116.57 119.36 2j8p h LYS 567 Ca 0.07 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2j8p h LYS 567 Cb 0.61 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 2j8p h LYS 567 CO 0.04 0.65 0.22 0.93 -1.08 0.00 0.00 179.45 180.21 2j8p h GLU 568 N 0.89 0.78 -0.49 3.15 4.39 -0.64 -2.05 114.58 120.61 2j8p h GLU 568 Ca 0.23 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 2j8p h GLU 568 Cb 0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 2j8p h GLU 568 CO -0.04 0.64 -0.14 1.96 -1.16 0.00 0.00 179.01 180.27 2j8p h GLN 569 N 0.77 0.94 -0.84 2.33 4.20 -1.10 -1.89 115.11 119.53 2j8p h GLN 569 Ca 0.19 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.55 2j8p h GLN 569 Cb 0.15 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2j8p h GLN 569 CO -0.02 1.02 0.55 0.82 -0.67 0.00 0.00 178.83 180.53 2j8p h ILE 570 N 0.83 1.20 -0.69 2.54 2.04 -0.72 -1.87 117.51 120.84 2j8p h ILE 570 Ca 0.13 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 2j8p h ILE 570 Cb 0.69 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2j8p h ILE 570 CO 0.05 0.20 0.13 1.56 0.00 0.00 0.00 178.15 180.10 2j8p h GLN 571 N 1.12 1.13 -3.49 2.37 4.20 -1.14 -3.49 115.11 115.81 2j8p h GLN 571 Ca 0.31 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2j8p h GLN 571 Cb -0.11 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.54 2j8p h GLN 571 CO -0.08 1.02 -0.84 1.63 -0.67 0.00 0.00 178.83 179.90 2j8p n LYS 572 N -4.22 -4.37 -1.46 1.46 5.02 -0.71 -4.76 118.16 109.13 2j8p n LYS 572 Ca 0.05 3.21 -0.55 0.00 -2.02 0.00 0.00 58.31 59.00 2j8p n LYS 572 Cb 0.28 -3.57 -0.06 0.00 -0.02 0.00 0.00 35.03 31.66 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 -0.32 -0.45 -2.70 4.39 2.88 -1.26 -4.88 113.62 111.28 2j8p n SER 573 Ca 0.00 1.15 -0.07 0.00 -1.33 0.00 0.00 58.87 58.62 2j8p n SER 573 Cb 0.00 -0.94 0.10 0.00 -0.75 0.00 0.00 64.21 62.62 2j8p n SER 573 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2j8p n THR 574 N 0.93 0.00 0.00 2.46 5.66 -1.26 -5.00 114.28 117.08 2j8p n THR 574 Ca 0.19 -1.37 0.00 0.00 -3.05 0.00 0.00 64.05 59.82 2j8p n THR 574 Cb 0.15 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2j8p n THR 574 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2j8p n GLY 575 N -0.45 0.86 3.95 1.09 0.00 -1.26 -5.13 105.19 104.24 2j8p n GLY 575 Ca -0.05 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.80 3.74 -2.00 4.61 0.00 -1.26 -5.28 121.76 119.76 2j8p s ALA 576 Ca 0.00 -1.01 0.24 0.00 0.00 0.00 0.00 51.96 51.19 2j8p s ALA 576 Cb 0.00 -2.14 1.42 0.00 0.00 0.00 0.00 23.12 22.41 2j8p s ALA 576 CO 0.00 -0.27 1.79 -0.35 0.00 0.00 0.00 175.76 176.93