#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 -0.97 1.57 2.00 -1.26 -4.79 117.12 113.67 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 5.20 0.00 0.27 2.03 -2.24 -1.26 -4.76 114.28 113.51 2j8p n THR 531 Ca 0.43 -0.29 0.15 0.00 -2.27 0.00 0.00 64.05 62.07 2j8p n THR 531 Cb -0.04 -0.07 0.44 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.09 0.00 -0.31 -0.78 0.13 -2.00 -3.08 132.00 124.88 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 32.46 2j8p h PRO 532 CO 0.24 0.00 -0.48 0.37 -0.23 0.00 0.00 178.00 177.90 2j8p h GLN 533 N 0.00 0.84 -0.09 0.86 -0.00 -1.96 0.12 115.11 114.88 2j8p h GLN 533 Ca 0.00 -0.49 -0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2j8p h GLN 533 Cb 0.74 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.25 2j8p h GLN 533 CO 0.00 1.13 0.04 0.22 0.00 0.00 0.00 178.83 180.22 2j8p h ASP 534 N 0.67 0.12 0.51 -0.69 1.82 -1.86 -1.94 116.42 115.05 2j8p h ASP 534 Ca 0.03 -0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 2j8p h ASP 534 Cb 1.06 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 2j8p h ASP 534 CO 0.11 0.23 -0.19 1.12 -1.61 0.00 0.00 179.24 178.90 2j8p h HIS 535 N 0.00 0.00 0.00 0.28 2.07 -1.54 -0.74 115.15 115.22 2j8p h HIS 535 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 2j8p h HIS 535 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 2j8p h HIS 535 CO -0.02 0.19 0.00 -1.91 -3.07 0.00 0.00 177.93 173.12 2j8p n GLU 536 N -3.65 0.77 0.29 5.12 2.13 0.02 -3.04 120.64 122.28 2j8p n GLU 536 Ca -0.01 0.01 0.17 0.00 0.66 0.00 0.00 57.16 57.98 2j8p n GLU 536 Cb 0.32 -1.50 0.90 0.00 0.27 0.00 0.00 31.44 31.43 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 0.00 0.00 -0.11 5.31 1.79 -0.70 -0.37 116.57 122.49 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 0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2j8p h LYS 537 CO 0.00 0.05 -0.40 0.00 -1.08 0.00 0.00 179.45 178.02 2j8p h ALA 538 N 1.95 1.13 -0.87 3.86 0.00 -1.76 -2.53 119.26 121.05 2j8p h ALA 538 Ca -0.00 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2j8p h ALA 538 Cb 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2j8p h ALA 538 CO 0.01 0.58 0.57 0.00 0.00 0.00 0.00 179.25 180.40 2j8p h ALA 539 N 1.39 1.58 -0.41 0.00 0.00 -1.30 3.30 119.26 123.82 2j8p h ALA 539 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2j8p h ALA 539 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2j8p h ALA 539 CO 0.06 0.27 -0.30 1.25 0.00 0.00 0.00 179.25 180.53 2j8p h LEU 540 N 0.94 0.94 0.00 0.00 5.85 -1.52 -2.67 115.31 118.84 2j8p h LEU 540 Ca 0.38 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2j8p h LEU 540 Cb 0.27 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2j8p h LEU 540 CO -0.15 1.16 -0.28 0.40 -0.34 0.00 0.00 178.44 179.23 2j8p h ILE 541 N 0.76 0.31 -0.44 4.05 1.08 -0.81 -3.23 117.51 119.23 2j8p h ILE 541 Ca 0.08 -1.45 0.05 0.00 -0.39 0.00 0.00 64.86 63.15 2j8p h ILE 541 Cb 0.87 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 2j8p h ILE 541 CO 0.08 0.18 0.29 0.00 -0.69 0.00 0.00 178.15 178.01 2j8p h MET 542 N 0.00 0.40 -0.09 2.37 -0.00 0.64 1.10 114.93 119.36 2j8p h MET 542 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2j8p h MET 542 Cb 1.15 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.66 2j8p h MET 542 CO 0.02 0.27 -0.04 1.96 -0.00 0.00 0.00 176.91 179.12 2j8p h GLN 543 N 0.41 0.18 -0.11 -0.10 4.20 -1.56 -1.06 115.11 117.07 2j8p h GLN 543 Ca 0.19 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 2j8p h GLN 543 Cb 0.22 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2j8p h GLN 543 CO -0.04 0.54 -0.57 0.28 -0.67 0.00 0.00 178.83 178.37 2j8p h VAL 544 N -0.19 1.36 0.00 -0.54 2.07 -1.52 -1.50 116.25 115.93 2j8p h VAL 544 Ca 0.02 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2j8p h VAL 544 Cb 0.49 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2j8p h VAL 544 CO 0.01 0.56 0.00 -0.11 0.02 0.00 0.00 177.57 178.06 2j8p n LEU 545 N -3.92 0.00 -0.08 2.57 7.94 0.37 -4.59 117.00 119.30 2j8p n LEU 545 Ca -0.03 0.12 -0.08 0.00 -1.11 0.00 0.00 56.01 54.92 2j8p n LEU 545 Cb 0.60 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.43 2j8p n LEU 545 CO 0.45 0.00 -1.02 0.00 -1.11 0.00 0.00 177.39 175.71 2j8p n GLN 546 N -0.16 1.40 -0.48 1.96 3.00 -1.04 -5.00 117.38 117.07 2j8p n GLN 546 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 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 -2.60 -0.14 -3.47 1.08 0.00 -0.43 -5.01 117.00 106.43 2j8p n LEU 547 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.55 2j8p n LEU 547 Cb 1.01 -0.17 -0.12 0.00 0.00 0.00 0.00 43.42 44.14 2j8p n LEU 547 CO 0.33 0.00 -0.22 0.42 0.00 0.00 0.00 177.39 177.92 2j8p s THR 548 N -2.00 -0.30 -0.11 1.96 -4.23 -1.24 -4.92 115.64 104.81 2j8p s THR 548 Ca 0.00 -0.38 0.26 0.00 -1.18 0.00 0.00 61.69 60.39 2j8p s THR 548 Cb 0.00 -0.85 0.27 0.00 1.34 0.00 0.00 72.50 73.26 2j8p s THR 548 CO 0.00 -0.41 1.80 0.00 -0.54 0.00 0.00 174.62 175.48 2j8p h ALA 549 N 8.32 1.00 -0.46 3.99 0.00 -1.95 -1.20 119.26 128.96 2j8p h ALA 549 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2j8p h ALA 549 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2j8p h ALA 549 CO 0.33 0.00 -0.02 0.22 0.00 0.00 0.00 179.25 179.78 2j8p h ASP 550 N 0.00 0.81 -0.30 0.00 3.58 -1.96 1.53 116.42 120.08 2j8p h ASP 550 Ca 0.00 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 2j8p h ASP 550 Cb 0.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2j8p h ASP 550 CO 0.00 0.93 0.04 1.56 -2.88 0.00 0.00 179.24 178.89 2j8p h GLN 551 N 0.66 0.50 0.00 0.28 4.20 -1.65 -2.64 115.11 116.47 2j8p h GLN 551 Ca 0.13 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 2j8p h GLN 551 Cb 0.53 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2j8p h GLN 551 CO 0.03 0.62 -0.46 0.82 -0.67 0.00 0.00 178.83 179.17 2j8p h ILE 552 N 0.32 0.94 0.00 2.54 2.04 -1.45 -2.76 117.51 119.15 2j8p h ILE 552 Ca 0.09 -1.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.10 2j8p h ILE 552 Cb 0.36 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2j8p h ILE 552 CO 0.01 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 178.60 2j8p h ALA 553 N 1.54 1.23 0.00 1.87 0.00 0.26 0.36 119.26 124.52 2j8p h ALA 553 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2j8p h ALA 553 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2j8p h ALA 553 CO 0.06 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 2j8p n MET 554 N -3.43 0.05 -2.59 0.00 2.81 -1.04 -4.81 117.12 108.11 2j8p n MET 554 Ca -0.03 0.07 -0.40 0.00 -1.81 0.00 0.00 57.70 55.53 2j8p n MET 554 Cb 0.09 -1.56 -0.05 0.00 -0.71 0.00 0.00 33.22 30.99 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 -3.28 4.59 1.01 4.03 1.43 0.13 -5.04 118.68 121.54 2j8p s LEU 555 Ca 0.13 2.13 -0.15 0.00 -1.03 0.00 0.00 54.13 55.21 2j8p s LEU 555 Cb 0.17 -3.62 0.20 0.00 0.03 0.00 0.00 46.19 42.97 2j8p s LEU 555 CO 0.51 -0.01 1.19 -2.16 0.23 0.00 0.00 176.35 176.11 2j8p s PRO 556 N -1.34 0.30 0.03 1.29 0.04 -1.26 -4.84 135.00 129.22 2j8p s PRO 556 Ca 0.43 -0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 2j8p s PRO 556 Cb -0.29 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2j8p s PRO 556 CO 0.37 -2.70 1.18 -1.25 0.04 0.00 0.00 177.00 174.64 2j8p s PRO 557 N -5.50 4.43 0.00 0.56 0.04 -1.26 -2.70 135.00 130.57 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 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2j8p s PRO 557 CO 0.54 -0.28 0.00 -1.91 0.04 0.00 0.00 177.00 175.39 2j8p n GLU 558 N 4.23 0.00 0.03 4.56 4.07 -1.26 -4.82 120.64 127.45 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 -0.15 -0.13 0.00 -0.06 0.00 0.00 31.44 31.57 2j8p n GLU 558 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2j8p h GLN 559 N 1.88 0.03 0.81 5.31 4.20 -1.89 -3.37 115.11 122.09 2j8p h GLN 559 Ca 0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2j8p h GLN 559 Cb 0.00 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.81 2j8p h GLN 559 CO 0.00 0.80 -0.39 0.00 -0.67 0.00 0.00 178.83 178.57 2j8p h ARG 560 N 0.01 -1.05 -1.75 1.46 3.08 -1.84 -2.09 114.38 112.19 2j8p h ARG 560 Ca -0.15 0.07 0.51 0.00 0.07 0.00 0.00 59.98 60.48 2j8p h ARG 560 Cb 1.90 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 32.12 2j8p h ARG 560 CO 0.11 -0.70 1.33 0.94 -1.07 0.00 0.00 179.97 180.58 2j8p n GLN 561 N -5.55 0.00 -0.39 0.04 7.27 -1.19 0.12 117.38 117.68 2j8p n GLN 561 Ca -0.15 1.02 0.30 0.00 0.07 0.00 0.00 57.00 58.24 2j8p n GLN 561 Cb 0.44 -2.38 0.58 0.00 2.41 0.00 0.00 30.24 31.29 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 0.35 -0.86 1.69 0.87 -1.54 1.75 113.55 115.80 2j8p h SER 562 Ca 0.83 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 61.50 2j8p h SER 562 Cb 3.48 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 65.49 2j8p h SER 562 CO -0.01 -0.10 0.46 0.40 -0.53 0.00 0.00 176.83 177.05 2j8p h ILE 563 N 0.21 1.26 -0.73 2.23 1.08 0.74 0.52 117.51 122.82 2j8p h ILE 563 Ca 0.74 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 64.51 2j8p h ILE 563 Cb 2.10 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 2j8p h ILE 563 CO -0.42 0.29 0.30 0.25 -0.69 0.00 0.00 178.15 177.88 2j8p h LEU 564 N 1.21 0.99 -0.21 1.44 6.46 0.25 0.75 115.31 126.20 2j8p h LEU 564 Ca 0.30 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2j8p h LEU 564 Cb 0.06 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 2j8p h LEU 564 CO -0.05 0.88 0.04 0.40 -0.62 0.00 0.00 178.44 179.09 2j8p h ILE 565 N 1.06 1.23 -0.29 4.05 1.08 -0.40 -1.08 117.51 123.14 2j8p h ILE 565 Ca 0.25 -0.75 -0.09 0.00 -0.39 0.00 0.00 64.86 63.88 2j8p h ILE 565 Cb 0.19 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2j8p h ILE 565 CO -0.02 0.23 -0.20 0.25 -0.69 0.00 0.00 178.15 177.73 2j8p h LEU 566 N 0.16 0.53 -1.21 1.44 6.46 -0.52 -2.27 115.31 119.90 2j8p h LEU 566 Ca 0.07 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2j8p h LEU 566 Cb 0.32 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 2j8p h LEU 566 CO 0.00 0.74 0.32 0.11 -0.62 0.00 0.00 178.44 178.99 2j8p h LYS 567 N 0.48 0.87 -0.56 1.25 1.79 0.85 -1.29 116.57 119.95 2j8p h LYS 567 Ca 0.08 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2j8p h LYS 567 Cb 0.61 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 2j8p h LYS 567 CO 0.04 0.65 0.25 0.93 -1.08 0.00 0.00 179.45 180.24 2j8p h GLU 568 N 0.87 0.80 -0.54 3.15 4.39 -0.60 -2.10 114.58 120.55 2j8p h GLU 568 Ca 0.22 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 2j8p h GLU 568 Cb 0.05 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2j8p h GLU 568 CO -0.03 0.64 -0.08 1.96 -1.16 0.00 0.00 179.01 180.33 2j8p h GLN 569 N 0.79 1.00 -0.80 2.33 4.20 -1.10 -2.32 115.11 119.21 2j8p h GLN 569 Ca 0.19 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.56 2j8p h GLN 569 Cb 0.12 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2j8p h GLN 569 CO -0.02 1.04 0.53 0.82 -0.67 0.00 0.00 178.83 180.53 2j8p h ILE 570 N 0.88 1.18 -0.41 2.54 2.04 -0.77 -1.06 117.51 121.90 2j8p h ILE 570 Ca 0.14 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 2j8p h ILE 570 Cb 0.64 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2j8p h ILE 570 CO 0.04 0.19 -0.08 1.56 0.00 0.00 0.00 178.15 179.86 2j8p h GLN 571 N 1.05 0.72 -4.84 2.37 7.50 -1.05 -3.48 115.11 117.38 2j8p h GLN 571 Ca 0.30 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.24 2j8p h GLN 571 Cb -0.06 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.40 2j8p h GLN 571 CO -0.08 0.79 -0.27 1.63 -1.50 0.00 0.00 178.83 179.40 2j8p n LYS 572 N -4.19 -1.63 -2.91 1.46 5.02 -0.40 -5.04 118.16 110.47 2j8p n LYS 572 Ca 0.02 1.64 -0.01 0.00 -2.02 0.00 0.00 58.31 57.93 2j8p n LYS 572 Cb 0.34 -4.86 0.01 0.00 -0.02 0.00 0.00 35.03 30.49 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 -2.45 -1.09 -0.10 4.39 0.15 -1.26 -5.06 113.70 108.28 2j8p s SER 573 Ca 0.13 -0.88 -0.02 0.00 0.70 0.00 0.00 55.95 55.88 2j8p s SER 573 Cb -0.04 1.41 0.01 0.00 -1.71 0.00 0.00 66.02 65.69 2j8p s SER 573 CO 0.61 -0.08 0.04 0.41 1.20 0.00 0.00 173.24 175.41 2j8p n THR 574 N 3.57 -5.73 -2.55 6.45 -1.04 -1.26 -4.93 114.28 108.79 2j8p n THR 574 Ca 0.12 1.04 -0.32 0.00 -2.04 0.00 0.00 64.05 62.85 2j8p n THR 574 Cb 0.59 -4.32 -0.04 0.00 -1.82 0.00 0.00 70.33 64.74 2j8p n THR 574 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2j8p s GLY 575 N -0.84 2.15 0.19 3.41 0.00 -1.26 -5.06 107.32 105.90 2j8p s GLY 575 Ca -0.05 0.22 0.10 0.00 0.00 0.00 0.00 44.72 44.99 2j8p s GLY 575 CO 0.30 0.49 -0.21 0.00 0.00 0.00 0.00 173.10 173.68 2j8p s ALA 576 N -2.48 2.35 -2.00 3.20 0.00 -1.26 -5.16 121.76 116.40 2j8p s ALA 576 Ca 0.59 -1.61 0.24 0.00 0.00 0.00 0.00 51.96 51.18 2j8p s ALA 576 Cb -0.10 -0.26 1.43 0.00 0.00 0.00 0.00 23.12 24.19 2j8p s ALA 576 CO 0.26 0.33 1.79 -0.35 0.00 0.00 0.00 175.76 177.79