#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jek h SER 547 N 0.00 0.25 0.13 1.69 4.64 -2.05 -0.85 113.55 117.35 1jek h SER 547 Ca 0.00 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 61.04 1jek h SER 547 Cb 0.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1jek h SER 547 CO 0.00 0.60 -0.69 0.25 -0.87 0.00 0.00 176.83 176.12 1jek h LEU 548 N 0.21 0.59 -0.85 5.97 5.85 -2.05 -0.55 115.31 124.48 1jek h LEU 548 Ca 0.02 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1jek h LEU 548 Cb 0.74 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1jek h LEU 548 CO 0.06 1.11 0.21 0.00 -0.34 0.00 0.00 178.44 179.48 1jek h ALA 549 N 0.89 1.07 -0.52 1.25 0.00 -1.92 0.05 119.26 120.08 1jek h ALA 549 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1jek h ALA 549 Cb 1.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1jek h ALA 549 CO 0.12 0.63 0.24 -0.91 0.00 0.00 0.00 179.25 179.34 1jek h ASN 550 N 1.02 0.68 -0.53 0.00 2.35 -0.90 -0.27 115.58 117.93 1jek h ASN 550 Ca 0.22 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1jek h ASN 550 Cb 0.30 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1jek h ASN 550 CO -0.01 0.62 0.12 0.00 -1.65 0.00 0.00 177.43 176.51 1jek h ALA 551 N 1.08 1.12 -0.40 -0.83 0.00 -0.62 -0.65 119.26 118.96 1jek h ALA 551 Ca 0.18 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1jek h ALA 551 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jek h ALA 551 CO -0.02 0.59 -0.22 1.15 0.00 0.00 0.00 179.25 180.75 1jek h THR 552 N 0.87 1.27 -0.46 0.00 2.02 -0.53 -0.34 112.91 115.75 1jek h THR 552 Ca 0.18 -1.33 -0.11 0.00 0.77 0.00 0.00 66.41 65.93 1jek h THR 552 Cb 0.35 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1jek h THR 552 CO 0.00 0.44 -0.14 0.00 0.37 0.00 0.00 175.52 176.20 1jek h ALA 553 N 1.07 0.90 -0.69 6.16 0.00 -0.76 -0.59 119.26 125.34 1jek h ALA 553 Ca 0.10 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1jek h ALA 553 Cb 0.73 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1jek h ALA 553 CO 0.06 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.10 1jek h ALA 554 N 1.08 0.97 -0.30 0.00 0.00 -0.64 -1.79 119.26 118.57 1jek h ALA 554 Ca 0.12 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1jek h ALA 554 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1jek h ALA 554 CO 0.05 0.66 -0.14 1.96 0.00 0.00 0.00 179.25 181.78 1jek h GLN 555 N 1.05 0.52 -0.83 0.00 4.20 -0.72 -2.35 115.11 116.99 1jek h GLN 555 Ca 0.22 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1jek h GLN 555 Cb 0.38 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 1jek h GLN 555 CO 0.00 0.65 0.44 0.37 -0.67 0.00 0.00 178.83 179.63 1jek h GLN 556 N 0.48 1.15 -0.57 1.46 5.75 -0.34 -0.00 115.11 123.04 1jek h GLN 556 Ca 0.09 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1jek h GLN 556 Cb 0.52 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1jek h GLN 556 CO 0.03 0.85 0.13 0.93 -2.65 0.00 0.00 178.83 178.12 1jek h GLU 557 N 1.16 0.89 -0.44 1.69 5.08 -0.84 -1.14 114.58 120.98 1jek h GLU 557 Ca 0.29 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1jek h GLU 557 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1jek h GLU 557 CO -0.05 0.80 0.16 0.28 -1.00 0.00 0.00 179.01 179.21 1jek h VAL 558 N 0.85 1.21 -0.81 3.13 2.07 -0.90 -1.35 116.25 120.45 1jek h VAL 558 Ca 0.18 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1jek h VAL 558 Cb 0.32 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1jek h VAL 558 CO 0.00 0.24 0.52 -0.07 0.02 0.00 0.00 177.57 178.28 1jek h LEU 559 N 0.56 0.87 -0.34 2.57 3.38 -0.46 0.12 115.31 122.01 1jek h LEU 559 Ca 0.14 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1jek h LEU 559 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1jek h LEU 559 CO -0.01 0.61 0.01 -0.33 0.09 0.00 0.00 178.44 178.81 1jek h GLU 560 N 1.03 0.60 -0.24 1.13 4.39 -1.01 -1.95 114.58 118.53 1jek h GLU 560 Ca 0.32 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.70 1jek h GLU 560 Cb -0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1jek h GLU 560 CO -0.10 0.72 -0.39 0.00 -1.16 0.00 0.00 179.01 178.08 1jek h ALA 561 N 0.86 0.88 -0.57 3.43 0.00 -0.97 -1.93 119.26 120.96 1jek h ALA 561 Ca 0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1jek h ALA 561 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jek h ALA 561 CO 0.02 0.64 0.07 1.03 0.00 0.00 0.00 179.25 181.00 1jek h SER 562 N 0.46 0.92 -0.58 0.00 0.87 -0.67 -1.14 113.55 113.41 1jek h SER 562 Ca 0.04 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1jek h SER 562 Cb 0.88 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1jek h SER 562 CO 0.08 0.96 0.30 0.22 -0.53 0.00 0.00 176.83 177.86 1jek h TYR 563 N 0.84 0.81 -0.59 2.24 3.20 -1.13 0.40 116.97 122.75 1jek h TYR 563 Ca 0.17 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1jek h TYR 563 Cb 0.45 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1jek h TYR 563 CO 0.03 0.60 0.19 0.00 -1.64 0.00 0.00 178.16 177.35 1jek h ALA 564 N 1.13 1.23 -0.45 1.82 0.00 -1.06 -0.21 119.26 121.73 1jek h ALA 564 Ca 0.20 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1jek h ALA 564 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jek h ALA 564 CO -0.03 0.55 -0.28 1.98 0.00 0.00 0.00 179.25 181.47 1jek h MET 565 N 0.86 0.97 -0.72 0.00 1.85 -0.64 -2.08 114.93 115.17 1jek h MET 565 Ca 0.20 -0.45 -0.06 0.00 -0.61 0.00 0.00 59.70 58.77 1jek h MET 565 Cb 0.24 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 1jek h MET 565 CO -0.01 1.12 0.21 0.28 -0.40 0.00 0.00 176.91 178.11 1jek h VAL 566 N 0.82 1.26 -0.86 -5.77 2.07 -0.54 -0.16 116.25 113.08 1jek h VAL 566 Ca 0.09 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1jek h VAL 566 Cb 0.86 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1jek h VAL 566 CO 0.08 0.36 0.52 1.56 0.02 0.00 0.00 177.57 180.11 1jek h GLN 567 N 1.08 1.16 -0.40 1.57 4.20 -0.93 -0.35 115.11 121.43 1jek h GLN 567 Ca 0.23 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 1jek h GLN 567 Cb 0.33 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1jek h GLN 567 CO -0.00 0.81 -0.14 1.25 -0.67 0.00 0.00 178.83 180.07 1jek h HIS 568 N 1.18 0.82 -0.69 2.96 2.76 -0.56 -1.08 115.15 120.55 1jek h HIS 568 Ca 0.31 -0.16 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 1jek h HIS 568 Cb -0.06 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 1jek h HIS 568 CO 0.00 0.84 0.15 0.82 -1.30 0.00 0.00 177.93 178.44 1jek h ILE 569 N 0.66 1.26 -0.70 6.26 2.04 -0.43 -1.37 117.51 125.24 1jek h ILE 569 Ca 0.11 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 1jek h ILE 569 Cb 0.62 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1jek h ILE 569 CO 0.04 0.38 0.20 0.00 0.00 0.00 0.00 178.15 178.77 1jek h ALA 570 N 1.07 1.02 -0.96 1.87 0.00 -0.51 -1.66 119.26 120.10 1jek h ALA 570 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jek h ALA 570 Cb 0.39 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1jek h ALA 570 CO 0.01 0.65 0.59 -0.22 0.00 0.00 0.00 179.25 180.28 1jek h LYS 571 N 1.05 1.29 -0.69 0.00 3.64 -0.77 -1.63 116.57 119.46 1jek h LYS 571 Ca 0.23 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1jek h LYS 571 Cb 0.32 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1jek h LYS 571 CO -0.00 0.89 0.17 0.78 -2.27 0.00 0.00 179.45 179.02 1jek h GLY 572 N 1.31 1.18 1.32 5.01 0.00 -0.38 -0.33 103.07 111.19 1jek h GLY 572 Ca 0.35 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1jek h GLY 572 CO -0.07 0.69 0.02 -2.22 0.00 0.00 0.00 176.54 174.96 1jek h ILE 573 N 1.03 1.24 -0.31 2.60 2.04 -0.98 -0.59 117.51 122.54 1jek h ILE 573 Ca 0.22 -0.99 -0.16 0.00 1.00 0.00 0.00 64.86 64.92 1jek h ILE 573 Cb 0.36 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1jek h ILE 573 CO 0.00 0.35 -0.46 -0.09 0.00 0.00 0.00 178.15 177.96 1jek h ARG 574 N 0.78 0.82 -0.51 2.37 2.43 -0.85 0.11 114.38 119.53 1jek h ARG 574 Ca 0.15 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1jek h ARG 574 Cb 0.44 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1jek h ARG 574 CO 0.02 1.10 0.23 0.82 -1.51 0.00 0.00 179.97 180.62 1jek h ILE 575 N 0.65 1.21 -0.19 1.20 2.04 -0.81 -2.34 117.51 119.27 1jek h ILE 575 Ca 0.04 -0.61 -0.16 0.00 1.00 0.00 0.00 64.86 65.12 1jek h ILE 575 Cb 1.04 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1jek h ILE 575 CO 0.10 0.24 -0.55 0.25 0.00 0.00 0.00 178.15 178.19 1jek h LEU 576 N 0.69 0.63 -1.30 1.44 5.85 -0.88 -2.86 115.31 118.88 1jek h LEU 576 Ca 0.17 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1jek h LEU 576 Cb 0.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1jek h LEU 576 CO -0.02 1.05 0.15 -0.08 -0.34 0.00 0.00 178.44 179.20 1jek h GLU 577 N 0.44 0.63 -0.37 1.25 4.22 -0.54 0.25 114.58 120.46 1jek h GLU 577 Ca 0.01 -0.09 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 1jek h GLU 577 Cb 1.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1jek h GLU 577 CO 0.10 0.54 -0.10 0.00 -2.18 0.00 0.00 179.01 177.37 1jek h ALA 578 N 1.55 1.13 -0.30 2.92 0.00 -1.25 0.13 119.26 123.43 1jek h ALA 578 Ca 0.15 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1jek h ALA 578 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jek h ALA 578 CO -0.01 0.55 -0.45 0.00 0.00 0.00 0.00 179.25 179.34 1jek h ARG 579 N 0.59 0.77 -0.63 0.00 3.08 -1.06 -2.29 114.38 114.84 1jek h ARG 579 Ca 0.11 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 1jek h ARG 579 Cb 0.53 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1jek h ARG 579 CO 0.03 1.06 0.03 0.28 -1.07 0.00 0.00 179.97 180.29 1jek h VAL 580 N 0.62 1.27 -0.45 2.04 2.07 -0.51 -2.03 116.25 119.26 1jek h VAL 580 Ca 0.04 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1jek h VAL 580 Cb 1.01 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1jek h VAL 580 CO 0.10 0.42 0.12 0.00 0.02 0.00 0.00 177.57 178.22 1jek h ALA 581 N 1.01 1.37 -0.51 1.67 0.00 -0.81 -0.19 119.26 121.81 1jek h ALA 581 Ca 0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1jek h ALA 581 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jek h ALA 581 CO 0.03 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 1jek h ARG 582 N 0.65 0.95 -0.19 0.00 3.08 -0.92 -1.67 114.38 116.27 1jek h ARG 582 Ca 0.15 -0.33 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 1jek h ARG 582 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1jek h ARG 582 CO -0.01 1.00 -0.40 0.28 -1.07 0.00 0.00 179.97 179.77 1jek h VAL 583 N 0.81 1.30 -0.47 2.04 2.07 -0.70 -2.62 116.25 118.67 1jek h VAL 583 Ca 0.14 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 1jek h VAL 583 Cb 0.61 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1jek h VAL 583 CO 0.04 0.48 0.02 -0.33 0.02 0.00 0.00 177.57 177.79 1jek h GLU 584 N 0.36 0.77 0.00 1.57 5.08 -0.83 -3.52 114.58 118.02 1jek h GLU 584 Ca 0.03 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1jek h GLU 584 Cb 0.87 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1jek h GLU 584 CO 0.07 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.86