#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 -1.40 2.00 -1.26 -4.80 117.12 110.70 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 -1.32 0.05 0.00 0.00 0.00 0.00 33.22 31.95 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 5.25 0.00 0.31 2.03 -2.24 -1.26 -4.74 114.28 113.63 2j8p n THR 531 Ca 0.44 -0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 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 -1.12 0.00 -0.31 -0.78 0.13 -2.00 -3.06 132.00 124.86 2j8p h PRO 532 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.00 -0.47 0.37 -0.23 0.00 0.00 178.00 177.91 2j8p h GLN 533 N 0.00 0.85 -0.47 0.86 -0.00 -1.97 -1.52 115.11 112.87 2j8p h GLN 533 Ca 0.00 -0.49 -0.12 0.00 -0.00 0.00 0.00 58.65 58.03 2j8p h GLN 533 Cb 0.70 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.21 2j8p h GLN 533 CO 0.00 1.13 -0.20 0.22 0.00 0.00 0.00 178.83 179.98 2j8p h ASP 534 N 0.67 0.96 0.49 -0.69 3.58 -1.86 -2.31 116.42 117.26 2j8p h ASP 534 Ca 0.03 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.08 2j8p h ASP 534 Cb 1.06 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2j8p h ASP 534 CO 0.11 1.13 -0.25 0.45 -2.88 0.00 0.00 179.24 177.80 2j8p h HIS 535 N 0.82 0.00 -0.20 0.28 3.86 -1.47 -0.96 115.15 117.47 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 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2j8p h HIS 535 CO 0.05 0.25 0.00 -1.91 0.86 0.00 0.00 177.93 177.18 2j8p n GLU 536 N -3.77 1.48 0.23 2.45 2.13 -0.58 -3.04 120.64 119.53 2j8p n GLU 536 Ca -0.01 -0.75 0.10 0.00 0.66 0.00 0.00 57.16 57.15 2j8p n GLU 536 Cb 0.35 -1.17 0.52 0.00 0.27 0.00 0.00 31.44 31.41 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 1.23 0.00 -0.04 5.31 1.79 -0.98 -2.09 116.57 121.80 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 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2j8p h LYS 537 CO 0.00 0.23 -0.54 0.00 -1.08 0.00 0.00 179.45 178.06 2j8p h ALA 538 N 1.77 1.02 -0.79 3.86 0.00 -1.78 -2.74 119.26 120.61 2j8p h ALA 538 Ca -0.00 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.52 2j8p h ALA 538 Cb 0.62 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2j8p h ALA 538 CO 0.03 0.68 0.52 0.00 0.00 0.00 0.00 179.25 180.48 2j8p h ALA 539 N 1.36 1.84 -0.32 0.00 0.00 -1.63 3.25 119.26 123.76 2j8p h ALA 539 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2j8p h ALA 539 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2j8p h ALA 539 CO 0.08 -0.02 -0.24 1.25 0.00 0.00 0.00 179.25 180.31 2j8p h LEU 540 N 0.65 0.63 0.00 0.00 6.46 -1.56 -2.65 115.31 118.84 2j8p h LEU 540 Ca 0.37 -0.22 -0.13 0.00 -0.12 0.00 0.00 57.88 57.78 2j8p h LEU 540 Cb 0.56 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2j8p h LEU 540 CO -0.14 0.86 -1.01 0.40 -0.62 0.00 0.00 178.44 177.92 2j8p h ILE 541 N 0.55 0.63 -0.47 4.05 2.04 -0.53 -3.30 117.51 120.48 2j8p h ILE 541 Ca 0.08 -2.05 0.09 0.00 1.00 0.00 0.00 64.86 63.98 2j8p h ILE 541 Cb 0.71 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 2j8p h ILE 541 CO 0.05 0.36 0.32 0.00 0.00 0.00 0.00 178.15 178.89 2j8p h MET 542 N 0.00 0.22 -0.85 2.37 -0.00 0.61 -0.45 114.93 116.83 2j8p h MET 542 Ca -0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.59 2j8p h MET 542 Cb 1.47 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 32.98 2j8p h MET 542 CO 0.05 0.15 0.51 1.96 -0.00 0.00 0.00 176.91 179.58 2j8p h GLN 543 N 0.23 1.16 0.00 -0.10 4.20 -1.61 -0.62 115.11 118.37 2j8p h GLN 543 Ca 0.22 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2j8p h GLN 543 Cb 0.56 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2j8p h GLN 543 CO -0.04 0.82 -0.09 0.28 -0.67 0.00 0.00 178.83 179.13 2j8p h VAL 544 N 1.17 1.01 0.00 -0.54 2.07 -1.28 0.78 116.25 119.47 2j8p h VAL 544 Ca 0.31 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2j8p h VAL 544 Cb -0.04 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2j8p h VAL 544 CO -0.06 0.08 0.00 -0.11 0.02 0.00 0.00 177.57 177.51 2j8p n LEU 545 N -4.36 1.07 -0.11 2.57 0.00 -0.29 -4.69 117.00 111.18 2j8p n LEU 545 Ca -0.03 0.37 -0.14 0.00 0.00 0.00 0.00 56.01 56.21 2j8p n LEU 545 Cb 0.16 -0.09 -0.12 0.00 0.00 0.00 0.00 43.42 43.37 2j8p n LEU 545 CO 0.34 -0.09 -1.23 0.00 0.00 0.00 0.00 177.39 176.42 2j8p n GLN 546 N -0.78 0.70 -0.17 1.96 3.00 -0.88 -5.00 117.38 116.21 2j8p n GLN 546 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2j8p n GLN 546 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.76 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 -3.05 0.00 -3.83 1.08 0.00 0.27 -5.00 117.00 106.47 2j8p n LEU 547 Ca -0.39 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.50 2j8p n LEU 547 Cb 0.99 -0.09 -0.13 0.00 0.00 0.00 0.00 43.42 44.20 2j8p n LEU 547 CO 0.28 0.00 -0.22 -0.89 0.00 0.00 0.00 177.39 176.56 2j8p s THR 548 N -2.00 0.00 -2.40 1.96 2.01 -1.26 -4.89 115.64 109.05 2j8p s THR 548 Ca 0.00 -0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.27 2j8p s THR 548 Cb 0.00 -0.19 0.57 0.00 0.01 0.00 0.00 72.50 72.89 2j8p s THR 548 CO 0.00 -0.00 1.76 0.00 -0.69 0.00 0.00 174.62 175.68 2j8p n ALA 549 N 3.00 2.58 -0.03 7.40 0.00 -1.26 -3.94 120.51 128.26 2j8p n ALA 549 Ca -0.12 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.77 2j8p n ALA 549 Cb 0.59 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 2.06 0.17 -0.30 0.00 1.82 -1.97 1.12 116.42 119.32 2j8p h ASP 550 Ca 0.00 -0.25 -0.16 0.00 -0.39 0.00 0.00 57.03 56.23 2j8p h ASP 550 Cb 0.44 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2j8p h ASP 550 CO 0.00 0.37 -0.42 1.56 -1.61 0.00 0.00 179.24 179.15 2j8p h GLN 551 N -0.05 0.86 -0.01 0.28 7.50 -2.01 -2.84 115.11 118.84 2j8p h GLN 551 Ca 0.03 -0.47 -0.11 0.00 0.50 0.00 0.00 58.65 58.60 2j8p h GLN 551 Cb 0.28 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 2j8p h GLN 551 CO 0.00 1.11 -0.52 0.82 -1.50 0.00 0.00 178.83 178.74 2j8p h ILE 552 N 0.70 1.37 0.00 2.54 1.08 -1.67 -2.24 117.51 119.28 2j8p h ILE 552 Ca 0.05 -1.78 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 2j8p h ILE 552 Cb 1.00 1.95 -0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2j8p h ILE 552 CO 0.10 0.51 -0.00 0.00 -0.69 0.00 0.00 178.15 178.07 2j8p h ALA 553 N 1.46 1.27 -0.01 1.87 0.00 0.16 0.46 119.26 124.47 2j8p h ALA 553 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2j8p h ALA 553 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2j8p h ALA 553 CO 0.07 0.00 -0.27 -1.33 0.00 0.00 0.00 179.25 177.72 2j8p n MET 554 N -3.48 1.07 -3.49 0.00 2.81 -0.85 -4.89 117.12 108.28 2j8p n MET 554 Ca -0.03 -0.71 -0.34 0.00 -1.81 0.00 0.00 57.70 54.81 2j8p n MET 554 Cb 0.08 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.42 4.29 0.98 4.03 1.43 0.16 -5.09 118.68 122.06 2j8p s LEU 555 Ca 0.25 0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 54.08 2j8p s LEU 555 Cb 0.19 -3.27 0.18 0.00 0.03 0.00 0.00 46.19 43.32 2j8p s LEU 555 CO 0.50 0.08 1.17 -2.16 0.23 0.00 0.00 176.35 176.17 2j8p s PRO 556 N -2.24 0.59 0.13 1.29 0.04 -1.26 -4.78 135.00 128.77 2j8p s PRO 556 Ca 0.39 0.08 -0.05 0.00 0.04 0.00 0.00 61.00 61.46 2j8p s PRO 556 Cb -0.13 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2j8p s PRO 556 CO 0.20 -2.53 1.33 -1.00 0.04 0.00 0.00 177.00 175.04 2j8p h PRO 557 N -1.73 0.48 0.00 0.56 0.13 -1.98 0.41 132.00 129.87 2j8p h PRO 557 Ca -0.48 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2j8p h PRO 557 Cb 1.31 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2j8p h PRO 557 CO 0.52 1.11 0.00 -1.91 -0.23 0.00 0.00 178.00 177.48 2j8p n GLU 558 N -3.80 0.37 -0.02 0.86 2.13 -1.26 -2.95 120.64 115.97 2j8p n GLU 558 Ca -0.06 0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 2j8p n GLU 558 Cb 0.79 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 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 -1.18 0.86 0.11 5.31 6.02 -1.09 -4.47 117.38 122.93 2j8p n GLN 559 Ca 0.10 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 2j8p n GLN 559 Cb 0.11 -1.09 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.57 -0.23 -1.09 2.43 -0.05 0.27 114.38 115.13 2j8p h ARG 560 Ca -0.10 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2j8p h ARG 560 Cb 1.16 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2j8p h ARG 560 CO -0.01 -0.38 0.23 0.37 -1.51 0.00 0.00 179.97 178.67 2j8p h GLN 561 N -0.60 0.00 -1.26 0.20 4.15 -1.45 -1.20 115.11 114.95 2j8p h GLN 561 Ca -0.01 0.00 0.39 0.00 0.77 0.00 0.00 58.65 59.80 2j8p h GLN 561 Cb 0.58 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.16 2j8p h GLN 561 CO -0.18 0.00 0.82 1.03 -1.93 0.00 0.00 178.83 178.57 2j8p h SER 562 N 0.00 0.27 -0.80 -0.69 0.87 -1.15 1.76 113.55 113.81 2j8p h SER 562 Ca 0.11 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2j8p h SER 562 Cb 0.58 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 2j8p h SER 562 CO -0.00 -0.09 0.44 0.40 -0.53 0.00 0.00 176.83 177.05 2j8p h ILE 563 N 0.16 1.24 -0.53 2.23 2.04 -1.24 -0.06 117.51 121.35 2j8p h ILE 563 Ca 0.75 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 2j8p h ILE 563 Cb 2.30 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 2j8p h ILE 563 CO -0.34 0.27 0.32 0.25 0.00 0.00 0.00 178.15 178.65 2j8p h LEU 564 N 1.11 0.63 -0.17 1.44 6.46 0.25 1.09 115.31 126.12 2j8p h LEU 564 Ca 0.28 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 2j8p h LEU 564 Cb 0.03 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2j8p h LEU 564 CO -0.05 0.48 -0.12 0.40 -0.62 0.00 0.00 178.44 178.54 2j8p h ILE 565 N 0.73 1.33 -0.09 4.05 1.08 -0.68 -2.10 117.51 121.83 2j8p h ILE 565 Ca 0.19 -1.22 -0.10 0.00 -0.39 0.00 0.00 64.86 63.35 2j8p h ILE 565 Cb -0.04 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2j8p h ILE 565 CO -0.04 0.36 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.32 2j8p h LEU 566 N 0.04 0.19 -0.10 1.44 4.07 -0.30 -1.58 115.31 119.06 2j8p h LEU 566 Ca 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2j8p h LEU 566 Cb 0.62 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2j8p h LEU 566 CO 0.03 0.57 0.07 0.11 -1.08 0.00 0.00 178.44 178.13 2j8p h LYS 567 N 0.15 0.13 -0.27 1.13 1.79 0.14 0.15 116.57 119.79 2j8p h LYS 567 Ca 0.02 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2j8p h LYS 567 Cb 0.77 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2j8p h LYS 567 CO 0.06 0.09 -0.19 1.05 -1.08 0.00 0.00 179.45 179.38 2j8p h GLU 568 N 0.14 0.49 -0.49 3.15 4.11 -1.17 -2.55 114.58 118.25 2j8p h GLU 568 Ca 0.04 -0.16 -0.07 0.00 0.07 0.00 0.00 59.36 59.24 2j8p h GLU 568 Cb -0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2j8p h GLU 568 CO -0.01 0.66 0.02 1.96 0.07 0.00 0.00 179.01 181.71 2j8p h GLN 569 N 0.44 0.81 -0.86 1.06 4.20 -0.64 -2.43 115.11 117.70 2j8p h GLN 569 Ca 0.07 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.62 2j8p h GLN 569 Cb 0.58 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2j8p h GLN 569 CO 0.04 0.80 0.54 0.82 -0.67 0.00 0.00 178.83 180.36 2j8p h ILE 570 N 0.76 1.09 -0.90 2.54 2.04 -0.30 -1.22 117.51 121.52 2j8p h ILE 570 Ca 0.15 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2j8p h ILE 570 Cb 0.43 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2j8p h ILE 570 CO 0.02 0.19 0.56 1.56 0.00 0.00 0.00 178.15 180.48 2j8p h GLN 571 N 1.02 1.21 -3.26 2.37 7.50 -1.34 -3.10 115.11 119.52 2j8p h GLN 571 Ca 0.36 -0.10 -0.74 0.00 0.50 0.00 0.00 58.65 58.67 2j8p h GLN 571 Cb 0.08 -0.26 -0.12 0.00 0.05 0.00 0.00 27.48 27.23 2j8p h GLN 571 CO -0.14 0.83 2.38 1.63 -1.50 0.00 0.00 178.83 182.03 2j8p n LYS 572 N -4.41 3.83 -2.48 1.46 5.02 -0.46 -4.91 118.16 116.19 2j8p n LYS 572 Ca 0.10 -3.32 -0.40 0.00 -2.02 0.00 0.00 58.31 52.67 2j8p n LYS 572 Cb 0.04 -2.87 -0.03 0.00 -0.02 0.00 0.00 35.03 32.15 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p s SER 573 N 1.03 6.20 0.16 4.39 0.15 -1.17 -4.56 113.70 119.90 2j8p s SER 573 Ca 0.46 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2j8p s SER 573 Cb 0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2j8p s SER 573 CO -0.04 -1.78 0.00 0.41 1.20 0.00 0.00 173.24 173.03 2j8p n THR 574 N 6.81 0.54 0.00 6.45 -1.04 -1.26 -5.08 114.28 120.70 2j8p n THR 574 Ca 0.22 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 2j8p n THR 574 Cb 0.50 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2j8p n THR 574 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j8p n GLY 575 N 2.53 -1.80 1.48 3.41 0.00 -1.26 -5.14 105.19 104.41 2j8p n GLY 575 Ca 0.00 0.60 0.09 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 -2.84 1.50 4.61 0.00 -1.26 -5.30 120.51 117.22 2j8p n ALA 576 Ca 0.00 0.71 0.12 0.00 0.00 0.00 0.00 53.44 54.27 2j8p n ALA 576 Cb 0.00 -1.51 0.71 0.00 0.00 0.00 0.00 19.45 18.66 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15