#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8p s MET 530 N 0.00 0.40 1.04 -0.41 0.00 -1.26 -5.16 119.30 113.91 2j8p s MET 530 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 55.69 56.01 2j8p s MET 530 Cb 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 34.83 34.86 2j8p s MET 530 CO 0.00 -0.08 -1.06 0.25 0.00 0.00 0.00 175.02 174.13 2j8p n THR 531 N 3.31 0.00 0.22 3.16 -2.24 -1.26 -4.77 114.28 112.69 2j8p n THR 531 Ca -0.16 -0.10 0.10 0.00 -2.27 0.00 0.00 64.05 61.62 2j8p n THR 531 Cb 0.57 -0.20 0.34 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.35 0.00 -0.24 -0.78 0.13 -2.01 -3.10 132.00 124.65 2j8p h PRO 532 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2j8p h PRO 532 Cb 1.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 2j8p h PRO 532 CO 0.27 0.18 -0.58 0.37 -0.23 0.00 0.00 178.00 178.00 2j8p h GLN 533 N 0.00 0.77 -0.70 0.86 -0.00 -1.94 -0.46 115.11 113.64 2j8p h GLN 533 Ca -0.00 -0.51 -0.02 0.00 -0.00 0.00 0.00 58.65 58.13 2j8p h GLN 533 Cb 0.89 0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.41 2j8p h GLN 533 CO 0.02 1.13 0.37 0.22 0.00 0.00 0.00 178.83 180.57 2j8p h ASP 534 N 0.58 0.87 0.42 -0.69 1.82 -1.86 0.41 116.42 117.97 2j8p h ASP 534 Ca 0.00 -0.08 -0.20 0.00 -0.39 0.00 0.00 57.03 56.37 2j8p h ASP 534 Cb 1.18 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 2j8p h ASP 534 CO 0.12 0.72 -0.83 0.45 -1.61 0.00 0.00 179.24 178.09 2j8p h HIS 535 N 0.98 0.44 -0.34 0.28 3.86 -1.52 -2.86 115.15 115.97 2j8p h HIS 535 Ca 0.25 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2j8p h HIS 535 Cb 0.05 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2j8p h HIS 535 CO 0.01 1.01 0.00 0.39 0.86 0.00 0.00 177.93 180.20 2j8p n GLU 536 N -3.74 1.96 0.24 2.45 1.02 -0.19 -3.82 120.64 118.55 2j8p n GLU 536 Ca -0.04 -1.30 0.12 0.00 -0.02 0.00 0.00 57.16 55.91 2j8p n GLU 536 Cb 0.77 -1.35 0.53 0.00 -0.02 0.00 0.00 31.44 31.37 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 2.05 0.00 -0.21 3.49 3.64 0.03 -2.46 116.57 123.11 2j8p h LYS 537 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2j8p h LYS 537 Cb 0.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2j8p h LYS 537 CO 0.03 0.16 0.02 0.00 -2.27 0.00 0.00 179.45 177.39 2j8p h ALA 538 N 1.84 1.65 -0.89 5.00 0.00 -1.78 -1.22 119.26 123.85 2j8p h ALA 538 Ca -0.00 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 538 Cb 0.66 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2j8p h ALA 538 CO 0.02 0.27 0.58 0.00 0.00 0.00 0.00 179.25 180.12 2j8p h ALA 539 N 1.73 1.62 -0.06 0.00 0.00 -1.73 1.35 119.26 122.17 2j8p h ALA 539 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2j8p h ALA 539 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2j8p h ALA 539 CO 0.00 0.21 -0.43 1.25 0.00 0.00 0.00 179.25 180.28 2j8p h LEU 540 N 0.90 0.13 -2.12 0.00 5.85 -1.37 -1.85 115.31 116.86 2j8p h LEU 540 Ca 0.41 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2j8p h LEU 540 Cb 0.38 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2j8p h LEU 540 CO -0.17 0.55 0.00 -0.38 -0.34 0.00 0.00 178.44 178.10 2j8p n ILE 541 N -4.02 0.60 -0.11 4.05 5.41 0.86 -4.27 119.36 121.88 2j8p n ILE 541 Ca -0.02 -0.72 -0.10 0.00 1.00 0.00 0.00 62.75 62.91 2j8p n ILE 541 Cb 0.47 0.64 -0.02 0.00 -0.71 0.00 0.00 39.64 40.02 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 3.77 0.57 -0.59 0.38 4.05 0.25 -0.58 114.93 122.78 2j8p h MET 542 Ca 0.00 -0.17 -0.09 0.00 -0.28 0.00 0.00 59.70 59.17 2j8p h MET 542 Cb 0.84 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.56 2j8p h MET 542 CO 0.00 0.67 0.02 -0.56 0.23 0.00 0.00 176.91 177.27 2j8p h GLN 543 N 0.39 1.02 -0.22 0.39 -0.00 -1.74 -0.59 115.11 114.35 2j8p h GLN 543 Ca 0.10 -0.30 -0.06 0.00 -0.00 0.00 0.00 58.65 58.39 2j8p h GLN 543 Cb 0.39 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.75 2j8p h GLN 543 CO 0.01 0.98 -0.14 0.28 -0.00 0.00 0.00 178.83 179.96 2j8p h VAL 544 N 0.94 1.21 0.00 1.86 2.07 -1.76 -3.30 116.25 117.27 2j8p h VAL 544 Ca 0.17 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2j8p h VAL 544 Cb 0.51 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2j8p h VAL 544 CO 0.02 0.30 0.00 -0.11 0.02 0.00 0.00 177.57 177.80 2j8p n LEU 545 N -4.22 0.00 -0.08 2.57 7.94 -0.24 -4.86 117.00 118.10 2j8p n LEU 545 Ca -0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2j8p n LEU 545 Cb 0.31 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.15 2j8p n LEU 545 CO 0.39 0.00 -1.04 0.00 -1.11 0.00 0.00 177.39 175.63 2j8p n GLN 546 N 0.00 1.05 -1.15 1.96 0.00 -1.06 -5.07 117.38 113.10 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 -2.79 -1.54 0.00 2.61 0.00 -0.28 -4.96 117.00 110.04 2j8p n LEU 547 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.73 2j8p n LEU 547 Cb 0.91 -0.77 0.00 0.00 0.00 0.00 0.00 43.42 43.56 2j8p n LEU 547 CO 0.25 0.00 0.00 0.41 0.00 0.00 0.00 177.39 178.05 2j8p n THR 548 N -0.60 0.00 0.00 1.96 -1.04 -1.26 -4.99 114.28 108.35 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 0.22 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 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 -1.33 0.00 -0.33 2.41 0.00 -1.26 -4.77 120.51 115.23 2j8p n ALA 549 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2j8p n ALA 549 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 1.08 -0.38 0.00 3.58 -1.98 1.15 116.42 119.88 2j8p h ASP 550 Ca 0.00 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.26 2j8p h ASP 550 Cb 0.00 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 2j8p h ASP 550 CO 0.00 0.81 -0.32 1.56 -2.88 0.00 0.00 179.24 178.41 2j8p h GLN 551 N 1.26 0.92 0.00 0.28 4.20 -1.99 -2.77 115.11 117.01 2j8p h GLN 551 Ca 0.34 -0.44 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 2j8p h GLN 551 Cb -0.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2j8p h GLN 551 CO -0.07 1.10 -0.60 0.82 -0.67 0.00 0.00 178.83 179.41 2j8p h ILE 552 N 0.77 1.25 -0.04 2.54 1.08 -1.74 -2.87 117.51 118.51 2j8p h ILE 552 Ca 0.08 -2.18 -0.00 0.00 -0.39 0.00 0.00 64.86 62.37 2j8p h ILE 552 Cb 0.89 2.23 -0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2j8p h ILE 552 CO 0.08 0.59 0.01 0.00 -0.69 0.00 0.00 178.15 178.13 2j8p h ALA 553 N 1.40 1.94 0.00 1.87 0.00 0.16 0.30 119.26 124.93 2j8p h ALA 553 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 553 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2j8p h ALA 553 CO 0.08 0.05 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 2j8p n MET 554 N -4.51 0.36 -3.63 0.00 2.81 -1.08 -4.76 117.12 106.30 2j8p n MET 554 Ca -0.02 0.04 -0.35 0.00 -1.81 0.00 0.00 57.70 55.55 2j8p n MET 554 Cb 0.10 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.59 4.38 0.99 4.03 1.43 0.10 -5.09 118.68 121.92 2j8p s LEU 555 Ca 0.24 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.94 2j8p s LEU 555 Cb 0.18 -2.78 0.18 0.00 0.03 0.00 0.00 46.19 43.80 2j8p s LEU 555 CO 0.41 0.23 1.17 -2.16 0.23 0.00 0.00 176.35 176.23 2j8p s PRO 556 N -1.68 0.51 0.12 1.29 0.04 -1.26 -4.76 135.00 129.26 2j8p s PRO 556 Ca 0.29 0.05 -0.07 0.00 0.04 0.00 0.00 61.00 61.30 2j8p s PRO 556 Cb -0.14 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 2j8p s PRO 556 CO 0.16 -2.58 1.30 -1.00 0.04 0.00 0.00 177.00 174.93 2j8p h PRO 557 N -1.77 0.54 0.00 0.56 0.13 -1.97 0.71 132.00 130.21 2j8p h PRO 557 Ca -0.48 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.12 2j8p h PRO 557 Cb 1.30 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2j8p h PRO 557 CO 0.50 1.16 0.00 -0.85 -0.23 0.00 0.00 178.00 178.58 2j8p n GLU 558 N -3.82 0.27 -0.02 0.86 0.28 -1.26 -2.99 120.64 113.96 2j8p n GLU 558 Ca -0.07 0.11 -0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2j8p n GLU 558 Cb 0.81 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.16 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2j8p n GLN 559 N -1.24 0.16 -0.34 3.44 6.02 -1.10 -4.56 117.38 119.76 2j8p n GLN 559 Ca 0.08 0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 2j8p n GLN 559 Cb 0.12 -1.07 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.07 -0.45 -1.09 2.43 0.53 1.50 114.38 117.24 2j8p h ARG 560 Ca -0.08 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2j8p h ARG 560 Cb 1.12 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2j8p h ARG 560 CO -0.01 -0.04 0.31 0.37 -1.51 0.00 0.00 179.97 179.08 2j8p h GLN 561 N -0.07 0.30 -1.29 0.20 4.15 -1.69 -0.93 115.11 115.79 2j8p h GLN 561 Ca 0.25 -0.02 0.38 0.00 0.77 0.00 0.00 58.65 60.03 2j8p h GLN 561 Cb 0.54 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.06 2j8p h GLN 561 CO -0.88 0.20 0.87 1.03 -1.93 0.00 0.00 178.83 178.11 2j8p h SER 562 N 0.31 0.22 -0.85 -0.69 0.87 0.19 1.73 113.55 115.33 2j8p h SER 562 Ca 0.20 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2j8p h SER 562 Cb 0.40 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 2j8p h SER 562 CO -0.04 -0.04 0.40 -0.29 -0.53 0.00 0.00 176.83 176.32 2j8p h ILE 563 N 0.14 1.26 -0.67 2.23 2.10 -1.08 0.83 117.51 122.33 2j8p h ILE 563 Ca 0.71 -0.75 0.01 0.00 1.08 0.00 0.00 64.86 65.91 2j8p h ILE 563 Cb 2.34 0.19 -0.03 0.00 -1.09 0.00 0.00 36.82 38.23 2j8p h ILE 563 CO -0.25 0.32 0.45 0.25 -1.08 0.00 0.00 178.15 177.84 2j8p h LEU 564 N 1.21 0.76 -0.14 2.19 6.46 0.25 1.28 115.31 127.32 2j8p h LEU 564 Ca 0.29 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.93 2j8p h LEU 564 Cb 0.13 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2j8p h LEU 564 CO -0.03 0.55 -0.30 0.40 -0.62 0.00 0.00 178.44 178.43 2j8p h ILE 565 N 0.90 1.37 -0.31 4.05 1.08 -0.87 0.93 117.51 124.65 2j8p h ILE 565 Ca 0.25 -1.58 -0.04 0.00 -0.39 0.00 0.00 64.86 63.10 2j8p h ILE 565 Cb -0.09 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 2j8p h ILE 565 CO -0.06 0.47 0.05 0.25 -0.69 0.00 0.00 178.15 178.18 2j8p h LEU 566 N 0.06 0.49 -0.54 1.44 5.85 -0.13 0.72 115.31 123.20 2j8p h LEU 566 Ca 0.00 -0.26 -0.15 0.00 0.84 0.00 0.00 57.88 58.32 2j8p h LEU 566 Cb 0.90 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2j8p h LEU 566 CO 0.07 0.63 -0.41 0.50 -0.34 0.00 0.00 178.44 178.88 2j8p h LYS 567 N 0.34 0.72 -0.68 1.25 1.63 0.16 -2.86 116.57 117.14 2j8p h LYS 567 Ca 0.09 -0.38 -0.03 0.00 -0.85 0.00 0.00 60.65 59.49 2j8p h LYS 567 Cb 0.34 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 2j8p h LYS 567 CO 0.01 1.00 0.32 1.49 -3.45 0.00 0.00 179.45 178.81 2j8p h GLU 568 N 0.59 0.96 -0.82 1.90 4.81 0.12 -1.96 114.58 120.19 2j8p h GLU 568 Ca 0.05 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2j8p h GLU 568 Cb 0.95 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 2j8p h GLU 568 CO 0.09 0.75 0.44 1.96 -0.73 0.00 0.00 179.01 181.52 2j8p h GLN 569 N 0.96 1.14 -0.65 1.92 4.20 -0.64 -1.66 115.11 120.38 2j8p h GLN 569 Ca 0.23 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2j8p h GLN 569 Cb 0.11 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2j8p h GLN 569 CO -0.03 0.84 0.18 0.82 -0.67 0.00 0.00 178.83 179.97 2j8p h ILE 570 N 1.14 1.25 -0.47 2.54 2.04 -1.20 -2.08 117.51 120.73 2j8p h ILE 570 Ca 0.29 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2j8p h ILE 570 Cb 0.04 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2j8p h ILE 570 CO -0.05 0.33 0.16 1.56 0.00 0.00 0.00 178.15 180.16 2j8p h GLN 571 N 0.96 0.68 -1.66 2.37 7.50 -0.77 -3.44 115.11 120.76 2j8p h GLN 571 Ca 0.21 -0.11 0.07 0.00 0.50 0.00 0.00 58.65 59.33 2j8p h GLN 571 Cb 0.30 -0.12 -0.25 0.00 0.05 0.00 0.00 27.48 27.46 2j8p h GLN 571 CO -0.00 0.59 0.33 -1.59 -1.50 0.00 0.00 178.83 176.65 2j8p s LYS 572 N -5.26 0.49 0.69 1.46 -2.85 -0.77 -5.12 119.74 108.39 2j8p s LYS 572 Ca -0.09 0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 55.53 2j8p s LYS 572 Cb 0.16 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 36.09 2j8p s LYS 572 CO 0.77 -0.09 1.06 -1.12 0.10 0.00 0.00 175.35 176.08 2j8p s SER 573 N 1.03 5.45 -0.11 0.03 0.01 -1.16 -4.18 113.70 114.77 2j8p s SER 573 Ca -0.05 1.46 -0.08 0.00 1.31 0.00 0.00 55.95 58.59 2j8p s SER 573 Cb -0.04 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.87 2j8p s SER 573 CO -0.13 -1.38 0.16 0.41 0.41 0.00 0.00 173.24 172.72 2j8p n THR 574 N -3.07-12.75 0.00 1.44 -1.04 -1.26 -5.07 114.28 92.53 2j8p n THR 574 Ca 0.07 2.83 0.00 0.00 -2.04 0.00 0.00 64.05 64.90 2j8p n THR 574 Cb 0.55 -6.30 0.00 0.00 -1.82 0.00 0.00 70.33 62.76 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 1.68 1.60 1.35 3.41 0.00 -1.26 -5.12 105.19 106.85 2j8p n GLY 575 Ca -0.27 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.00 -2.82 1.49 4.61 0.00 -1.26 -5.24 120.51 114.29 2j8p n ALA 576 Ca 0.00 0.70 0.12 0.00 0.00 0.00 0.00 53.44 54.26 2j8p n ALA 576 Cb 0.00 -1.41 0.71 0.00 0.00 0.00 0.00 19.45 18.75 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15