#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 1.57 2.00 -1.26 -4.81 117.12 113.71 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 -1.29 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 5.16 0.00 0.58 2.03 -2.24 -1.26 -4.81 114.28 113.74 2j8p n THR 531 Ca 0.43 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 2j8p n THR 531 Cb -0.04 -0.17 0.46 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.21 0.16 -0.09 -0.78 -0.04 -1.26 -2.98 135.00 131.23 2j8p n PRO 532 Ca -0.01 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 2j8p n PRO 532 Cb 0.68 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.90 -0.53 0.54 -0.00 -1.97 -2.22 115.11 111.82 2j8p h GLN 533 Ca 0.00 -0.54 -0.06 0.00 -0.00 0.00 0.00 58.65 58.05 2j8p h GLN 533 Cb 0.50 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.01 2j8p h GLN 533 CO 0.00 1.18 0.09 0.22 0.00 0.00 0.00 178.83 180.32 2j8p h ASP 534 N 0.70 0.79 0.60 -0.69 3.58 -1.86 -1.25 116.42 118.30 2j8p h ASP 534 Ca 0.03 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2j8p h ASP 534 Cb 1.11 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2j8p h ASP 534 CO 0.11 0.80 -0.25 0.45 -2.88 0.00 0.00 179.24 177.47 2j8p h HIS 535 N 0.80 0.00 -0.09 0.28 3.86 -1.59 -1.27 115.15 117.13 2j8p h HIS 535 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2j8p h HIS 535 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2j8p h HIS 535 CO 0.02 0.25 0.00 -1.91 0.86 0.00 0.00 177.93 177.15 2j8p n GLU 536 N -3.64 1.31 0.27 2.45 2.13 -0.49 -3.62 120.64 119.05 2j8p n GLU 536 Ca -0.01 -0.47 0.14 0.00 0.66 0.00 0.00 57.16 57.48 2j8p n GLU 536 Cb 0.38 -1.26 0.78 0.00 0.27 0.00 0.00 31.44 31.60 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 0.88 0.00 -0.12 5.31 1.57 -1.01 -0.78 116.57 122.42 2j8p h LYS 537 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2j8p h LYS 537 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2j8p h LYS 537 CO 0.00 0.09 -0.49 0.00 -0.57 0.00 0.00 179.45 178.48 2j8p h ALA 538 N 1.91 0.94 -0.70 3.86 0.00 -1.70 -2.69 119.26 120.88 2j8p h ALA 538 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2j8p h ALA 538 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2j8p h ALA 538 CO 0.01 0.66 0.46 0.00 0.00 0.00 0.00 179.25 180.38 2j8p h ALA 539 N 1.24 1.76 -0.20 0.00 0.00 -1.40 2.12 119.26 122.77 2j8p h ALA 539 Ca 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 539 Cb 0.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2j8p h ALA 539 CO 0.08 0.12 -0.10 1.25 0.00 0.00 0.00 179.25 180.61 2j8p h LEU 540 N 0.69 0.29 -0.55 0.00 5.85 -1.49 -1.39 115.31 118.71 2j8p h LEU 540 Ca 0.31 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2j8p h LEU 540 Cb 0.31 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2j8p h LEU 540 CO -0.10 0.43 -0.62 -0.38 -0.34 0.00 0.00 178.44 177.43 2j8p n ILE 541 N -4.28 0.00 -0.16 4.05 5.41 0.76 -4.25 119.36 120.90 2j8p n ILE 541 Ca -0.00 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 2j8p n ILE 541 Cb 0.26 1.00 -0.00 0.00 -0.71 0.00 0.00 39.64 40.19 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 1.34 0.78 -0.37 0.38 4.05 0.44 -1.97 114.93 119.57 2j8p h MET 542 Ca 0.00 -0.23 -0.12 0.00 -0.28 0.00 0.00 59.70 59.08 2j8p h MET 542 Cb 0.63 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2j8p h MET 542 CO 0.00 0.81 -0.24 1.96 0.23 0.00 0.00 176.91 179.67 2j8p h GLN 543 N 0.63 0.75 -0.32 0.39 4.20 -1.72 0.47 115.11 119.52 2j8p h GLN 543 Ca 0.13 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2j8p h GLN 543 Cb 0.43 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2j8p h GLN 543 CO 0.02 0.92 0.11 0.28 -0.67 0.00 0.00 178.83 179.49 2j8p h VAL 544 N 0.65 1.14 0.00 -0.54 2.07 -1.70 -3.33 116.25 114.54 2j8p h VAL 544 Ca 0.09 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2j8p h VAL 544 Cb 0.75 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2j8p h VAL 544 CO 0.06 0.16 0.00 -0.11 0.02 0.00 0.00 177.57 177.70 2j8p n LEU 545 N -4.39 0.00 -0.06 2.57 7.94 -0.76 -4.89 117.00 117.41 2j8p n LEU 545 Ca 0.02 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.85 2j8p n LEU 545 Cb 0.15 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.00 2j8p n LEU 545 CO 0.37 0.00 -0.91 0.00 -1.11 0.00 0.00 177.39 175.73 2j8p n GLN 546 N 0.00 1.91 -1.46 1.96 -0.00 -1.11 -5.09 117.38 113.58 2j8p n GLN 546 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 2j8p n GLN 546 Cb 0.00 -1.32 -0.00 0.00 -0.00 0.00 0.00 30.24 28.91 2j8p n GLN 546 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2j8p n LEU 547 N -2.48 -2.81 0.00 2.61 -0.00 0.12 -4.95 117.00 109.49 2j8p n LEU 547 Ca -0.21 0.48 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 2j8p n LEU 547 Cb 0.91 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 2j8p n LEU 547 CO 0.26 -0.64 0.00 0.41 -0.00 0.00 0.00 177.39 177.43 2j8p n THR 548 N 0.33 0.00 0.00 1.47 -1.04 -1.26 -4.99 114.28 108.79 2j8p n THR 548 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2j8p n THR 548 Cb 0.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 -2.17 0.00 -0.24 2.41 0.00 -1.26 -4.63 120.51 114.62 2j8p n ALA 549 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j8p n ALA 549 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 0.92 -0.40 0.00 1.82 -1.99 0.10 116.42 116.87 2j8p h ASP 550 Ca 0.00 -0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.47 2j8p h ASP 550 Cb 0.00 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 2j8p h ASP 550 CO 0.00 0.68 -0.24 1.56 -1.61 0.00 0.00 179.24 179.64 2j8p h GLN 551 N 1.07 0.92 -0.06 0.28 4.20 -1.98 -2.62 115.11 116.91 2j8p h GLN 551 Ca 0.28 -0.39 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 2j8p h GLN 551 Cb -0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2j8p h GLN 551 CO -0.06 1.05 -0.35 0.82 -0.67 0.00 0.00 178.83 179.63 2j8p h ILE 552 N 0.79 1.27 0.00 2.54 1.08 -1.68 -1.76 117.51 119.74 2j8p h ILE 552 Ca 0.10 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2j8p h ILE 552 Cb 0.80 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 2j8p h ILE 552 CO 0.07 0.38 -0.04 0.00 -0.69 0.00 0.00 178.15 177.87 2j8p h ALA 553 N 1.54 1.59 0.00 1.87 0.00 -0.44 0.27 119.26 124.09 2j8p h ALA 553 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2j8p h ALA 553 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2j8p h ALA 553 CO 0.05 0.05 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 2j8p n MET 554 N -3.99 0.13 -3.86 0.00 2.81 -0.66 -4.77 117.12 106.77 2j8p n MET 554 Ca -0.03 0.04 -0.33 0.00 -1.81 0.00 0.00 57.70 55.57 2j8p n MET 554 Cb 0.12 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.86 4.36 1.00 4.03 1.43 0.96 -5.10 118.68 122.48 2j8p s LEU 555 Ca 0.17 0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 53.51 2j8p s LEU 555 Cb 0.18 -2.79 0.19 0.00 0.03 0.00 0.00 46.19 43.80 2j8p s LEU 555 CO 0.47 0.21 1.18 -2.16 0.23 0.00 0.00 176.35 176.28 2j8p s PRO 556 N -2.14 0.41 0.07 1.29 0.04 -1.26 -4.79 135.00 128.63 2j8p s PRO 556 Ca 0.31 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.21 2j8p s PRO 556 Cb -0.13 -1.78 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2j8p s PRO 556 CO 0.21 -2.64 1.22 -1.00 0.04 0.00 0.00 177.00 174.83 2j8p h PRO 557 N -1.81 0.69 0.00 0.56 0.13 -1.95 0.49 132.00 130.10 2j8p h PRO 557 Ca -0.47 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 63.98 2j8p h PRO 557 Cb 1.30 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2j8p h PRO 557 CO 0.48 1.27 0.00 -1.91 -0.23 0.00 0.00 178.00 177.62 2j8p n GLU 558 N -3.94 0.01 -0.05 0.86 4.07 -1.26 -2.37 120.64 117.97 2j8p n GLU 558 Ca -0.10 0.34 -0.07 0.00 -0.06 0.00 0.00 57.16 57.27 2j8p n GLU 558 Cb 0.81 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.63 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 -1.47 0.99 -0.09 5.31 6.02 -1.13 -4.26 117.38 122.75 2j8p n GLN 559 Ca 0.02 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 2j8p n GLN 559 Cb 0.09 -1.22 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.41 -0.06 -1.09 2.43 0.36 0.19 114.38 115.80 2j8p h ARG 560 Ca -0.24 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2j8p h ARG 560 Cb 1.43 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 2j8p h ARG 560 CO -0.02 -0.28 -0.14 0.37 -1.51 0.00 0.00 179.97 178.39 2j8p h GLN 561 N -0.43 0.09 -0.92 0.20 -0.00 -1.69 -1.98 115.11 110.38 2j8p h GLN 561 Ca 0.06 -0.02 0.22 0.00 -0.00 0.00 0.00 58.65 58.91 2j8p h GLN 561 Cb 0.59 -0.01 -0.07 0.00 0.00 0.00 0.00 27.48 27.99 2j8p h GLN 561 CO -0.51 0.24 0.61 1.03 0.00 0.00 0.00 178.83 180.20 2j8p h SER 562 N 0.09 0.36 -0.74 -0.69 0.87 -0.82 0.47 113.55 113.08 2j8p h SER 562 Ca 0.02 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2j8p h SER 562 Cb 0.31 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2j8p h SER 562 CO 0.02 0.13 0.36 -0.29 -0.53 0.00 0.00 176.83 176.52 2j8p h ILE 563 N 0.35 1.24 -0.53 2.23 2.10 -0.60 -0.02 117.51 122.29 2j8p h ILE 563 Ca 0.48 -0.66 0.04 0.00 1.08 0.00 0.00 64.86 65.80 2j8p h ILE 563 Cb 1.28 0.31 -0.03 0.00 -1.09 0.00 0.00 36.82 37.29 2j8p h ILE 563 CO -0.17 0.28 0.35 0.25 -1.08 0.00 0.00 178.15 177.78 2j8p h LEU 564 N 1.04 0.47 -0.09 2.19 6.46 -0.18 1.53 115.31 126.72 2j8p h LEU 564 Ca 0.25 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.93 2j8p h LEU 564 Cb 0.11 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2j8p h LEU 564 CO -0.03 0.32 -0.28 0.40 -0.62 0.00 0.00 178.44 178.23 2j8p h ILE 565 N 0.55 1.40 -0.32 4.05 2.04 -0.84 0.48 117.51 124.86 2j8p h ILE 565 Ca 0.22 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 2j8p h ILE 565 Cb 0.18 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2j8p h ILE 565 CO -0.06 0.47 0.00 0.25 0.00 0.00 0.00 178.15 178.81 2j8p h LEU 566 N -0.10 0.55 -0.86 1.44 5.85 -0.00 -1.71 115.31 120.48 2j8p h LEU 566 Ca -0.01 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 2j8p h LEU 566 Cb 0.90 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2j8p h LEU 566 CO 0.06 0.72 -0.23 0.50 -0.34 0.00 0.00 178.44 179.16 2j8p h LYS 567 N 0.36 0.59 -0.60 1.25 1.63 0.21 -2.52 116.57 117.50 2j8p h LYS 567 Ca 0.09 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2j8p h LYS 567 Cb 0.44 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 2j8p h LYS 567 CO 0.02 0.78 0.34 0.93 -3.45 0.00 0.00 179.45 178.07 2j8p h GLU 568 N 0.52 0.81 -0.68 1.90 4.39 0.26 -1.63 114.58 120.15 2j8p h GLU 568 Ca 0.08 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2j8p h GLU 568 Cb 0.68 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2j8p h GLU 568 CO 0.05 0.58 0.24 1.96 -1.16 0.00 0.00 179.01 180.68 2j8p h GLN 569 N 0.82 1.02 -0.82 2.33 4.20 -0.87 -1.55 115.11 120.25 2j8p h GLN 569 Ca 0.21 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2j8p h GLN 569 Cb -0.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 2j8p h GLN 569 CO -0.04 0.85 0.54 0.82 -0.67 0.00 0.00 178.83 180.33 2j8p h ILE 570 N 1.00 1.18 -0.30 2.54 2.04 -1.18 -1.31 117.51 121.48 2j8p h ILE 570 Ca 0.23 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2j8p h ILE 570 Cb 0.24 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2j8p h ILE 570 CO -0.01 0.20 -0.15 1.56 0.00 0.00 0.00 178.15 179.74 2j8p h GLN 571 N 1.08 0.51 -5.66 2.37 7.50 -1.10 -3.48 115.11 116.33 2j8p h GLN 571 Ca 0.31 -0.16 -0.07 0.00 0.50 0.00 0.00 58.65 59.23 2j8p h GLN 571 Cb -0.08 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.41 2j8p h GLN 571 CO -0.08 0.65 -0.88 1.63 -1.50 0.00 0.00 178.83 178.65 2j8p n LYS 572 N -4.18 -2.30 -1.07 1.46 5.02 -0.50 -4.94 118.16 111.66 2j8p n LYS 572 Ca 0.00 1.98 -0.30 0.00 -2.02 0.00 0.00 58.31 57.98 2j8p n LYS 572 Cb 0.34 -4.10 0.15 0.00 -0.02 0.00 0.00 35.03 31.40 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 -1.80 3.12 -0.33 4.39 0.15 -1.26 -5.04 113.70 112.93 2j8p s SER 573 Ca 0.15 1.58 -0.02 0.00 0.70 0.00 0.00 55.95 58.36 2j8p s SER 573 Cb -0.03 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.17 2j8p s SER 573 CO 0.66 -2.87 0.18 -0.89 1.20 0.00 0.00 173.24 171.51 2j8p s THR 574 N -2.84 0.10 0.00 6.45 2.01 -1.26 -5.06 115.64 115.03 2j8p s THR 574 Ca 0.64 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2j8p s THR 574 Cb -0.19 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2j8p s THR 574 CO 0.58 -0.87 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 2j8p n GLY 575 N 4.55 -0.55 3.71 4.40 0.00 -1.26 -5.14 105.19 110.89 2j8p n GLY 575 Ca 0.04 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2j8p n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8p s ALA 576 N -1.00 3.31 -2.00 4.61 0.00 -1.26 -5.32 121.76 120.11 2j8p s ALA 576 Ca 0.00 -1.43 0.24 0.00 0.00 0.00 0.00 51.96 50.77 2j8p s ALA 576 Cb 0.00 -1.04 1.43 0.00 0.00 0.00 0.00 23.12 23.51 2j8p s ALA 576 CO 0.00 0.38 1.79 -0.35 0.00 0.00 0.00 175.76 177.59