#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2agh s VAL 587 N 0.00 0.26 -0.16 1.61 1.01 -1.26 -5.06 120.40 116.80 2agh s VAL 587 Ca 0.00 0.19 0.21 0.00 0.00 0.00 0.00 61.98 62.38 2agh s VAL 587 Cb 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.82 2agh s VAL 587 CO 0.00 0.24 0.83 -2.11 0.00 0.00 0.00 175.10 174.06 2agh n ARG 588 N 5.16 0.62 0.00 2.72 1.85 -1.26 -4.78 116.66 120.97 2agh n ARG 588 Ca -0.06 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2agh n ARG 588 Cb 0.50 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 2agh n ARG 588 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2agh n LYS 589 N -2.64 0.00 -0.69 2.89 4.76 -1.26 -5.09 118.16 116.13 2agh n LYS 589 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2agh n LYS 589 Cb 0.65 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 2agh n LYS 589 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2agh n GLY 590 N 1.31 0.68 0.00 0.72 0.00 -1.26 -4.70 105.19 101.95 2agh n GLY 590 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2agh n GLY 590 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2agh n TRP 591 N -2.59 0.00 0.32 1.61 4.27 -1.26 -4.88 117.44 114.90 2agh n TRP 591 Ca 0.00 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.77 2agh n TRP 591 Cb 0.00 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.63 2agh n TRP 591 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2agh h HIS 592 N 0.00 0.00 0.00 -2.67 3.86 -1.99 -3.29 115.15 111.07 2agh h HIS 592 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2agh h HIS 592 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2agh h HIS 592 CO 0.00 0.00 0.08 -0.85 0.86 0.00 0.00 177.93 178.02 2agh n GLU 593 N -2.76 0.09 0.00 2.45 0.28 -1.26 -2.23 120.64 117.20 2agh n GLU 593 Ca 0.01 0.56 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 2agh n GLU 593 Cb 0.24 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.25 2agh n GLU 593 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2agh n HIS 594 N -1.96 0.00 -2.05 -1.84 1.44 -1.24 -5.06 115.22 104.51 2agh n HIS 594 Ca -0.01 -0.18 -0.40 0.00 -2.01 0.00 0.00 57.72 55.12 2agh n HIS 594 Cb 0.10 -0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.18 2agh n HIS 594 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2agh s VAL 595 N -0.35 2.59 0.03 0.61 1.01 -0.94 -5.04 120.40 118.30 2agh s VAL 595 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2agh s VAL 595 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2agh s VAL 595 CO 0.00 0.12 -0.07 -0.89 0.00 0.00 0.00 175.10 174.26 2agh s THR 596 N -1.17 0.50 0.41 3.92 2.01 -1.26 -5.07 115.64 114.98 2agh s THR 596 Ca 0.52 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.80 2agh s THR 596 Cb -0.40 -0.53 0.31 0.00 0.01 0.00 0.00 72.50 71.88 2agh s THR 596 CO 0.53 -0.23 1.98 -0.61 -0.69 0.00 0.00 174.62 175.60 2agh h GLN 597 N 4.96 0.53 -0.64 4.92 4.15 -1.99 -1.45 115.11 125.60 2agh h GLN 597 Ca -0.33 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.03 2agh h GLN 597 Cb 1.20 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 2agh h GLN 597 CO 0.44 0.35 0.29 -0.44 -1.93 0.00 0.00 178.83 177.53 2agh h ASP 598 N 0.55 0.85 0.01 -0.69 3.32 -1.99 -0.10 116.42 118.36 2agh h ASP 598 Ca 0.28 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2agh h ASP 598 Cb 0.37 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2agh h ASP 598 CO -0.08 0.76 -0.00 0.25 -1.72 0.00 0.00 179.24 178.44 2agh h LEU 599 N 0.88 -0.01 -0.39 1.55 5.85 -1.76 -2.10 115.31 119.34 2agh h LEU 599 Ca 0.22 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2agh h LEU 599 Cb 0.15 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2agh h LEU 599 CO -0.02 0.19 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.13 2agh h ARG 600 N -0.20 0.05 0.11 1.25 9.65 -1.16 0.35 114.38 124.43 2agh h ARG 600 Ca -0.00 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2agh h ARG 600 Cb 0.20 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2agh h ARG 600 CO 0.00 0.03 -0.05 0.77 2.80 0.00 0.00 179.97 183.52 2agh h SER 601 N 0.05 -0.13 -0.47 -3.80 0.02 -1.01 -2.15 113.55 106.06 2agh h SER 601 Ca 0.19 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2agh h SER 601 Cb 0.28 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2agh h SER 601 CO -0.36 -0.02 -0.09 -0.74 -1.14 0.00 0.00 176.83 174.47 2agh h HIS 602 N -0.23 0.99 -0.66 3.45 -0.00 -1.17 -2.18 115.15 115.35 2agh h HIS 602 Ca -0.02 -0.21 -0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2agh h HIS 602 Cb 0.18 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 2agh h HIS 602 CO -0.05 0.96 0.40 -0.07 -0.00 0.00 0.00 177.93 179.18 2agh h LEU 603 N 0.73 0.78 -0.14 0.26 3.38 -0.92 0.22 115.31 119.62 2agh h LEU 603 Ca 0.12 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2agh h LEU 603 Cb 0.63 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2agh h LEU 603 CO 0.04 0.61 0.04 0.58 0.09 0.00 0.00 178.44 179.80 2agh h VAL 604 N 0.89 0.96 -0.84 1.22 2.07 -1.28 0.59 116.25 119.86 2agh h VAL 604 Ca 0.24 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.76 2agh h VAL 604 Cb -0.04 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2agh h VAL 604 CO -0.05 0.02 0.54 -0.74 0.02 0.00 0.00 177.57 177.36 2agh h HIS 605 N 0.11 1.01 -0.23 1.57 -0.00 -1.10 -1.01 115.15 115.49 2agh h HIS 605 Ca 0.06 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.35 2agh h HIS 605 Cb 0.04 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 2agh h HIS 605 CO -0.11 0.57 -0.33 -0.22 -0.00 0.00 0.00 177.93 177.84 2agh h LYS 606 N 1.04 0.48 0.41 5.26 3.64 -0.67 -0.58 116.57 126.15 2agh h LYS 606 Ca 0.34 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2agh h LYS 606 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2agh h LYS 606 CO -0.12 0.76 -0.20 1.25 -2.27 0.00 0.00 179.45 178.87 2agh h LEU 607 N 0.41 -0.46 -0.49 5.20 5.85 -0.50 -2.84 115.31 122.48 2agh h LEU 607 Ca 0.05 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2agh h LEU 607 Cb 0.78 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2agh h LEU 607 CO 0.06 -0.32 0.14 0.58 -0.34 0.00 0.00 178.44 178.56 2agh h VAL 608 N -0.56 0.78 -0.54 1.05 2.07 -0.92 -1.18 116.25 116.95 2agh h VAL 608 Ca -0.06 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2agh h VAL 608 Cb 0.42 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2agh h VAL 608 CO 0.09 0.05 0.33 1.56 0.02 0.00 0.00 177.57 179.63 2agh h GLN 609 N 0.30 0.64 -0.37 1.57 1.08 -1.12 -2.07 115.11 115.14 2agh h GLN 609 Ca 0.24 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.27 2agh h GLN 609 Cb 0.29 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2agh h GLN 609 CO -0.28 0.42 -0.29 0.00 -0.95 0.00 0.00 178.83 177.73 2agh h ALA 610 N 1.23 0.53 -0.33 3.87 0.00 -1.22 -3.17 119.26 120.18 2agh h ALA 610 Ca 0.21 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2agh h ALA 610 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2agh h ALA 610 CO -0.09 0.56 0.16 0.82 0.00 0.00 0.00 179.25 180.70 2agh h ILE 611 N 0.65 0.98 -3.09 0.00 2.04 -1.00 -3.39 117.51 113.70 2agh h ILE 611 Ca 0.07 -0.12 -0.58 0.00 1.00 0.00 0.00 64.86 65.24 2agh h ILE 611 Cb 0.87 0.61 -0.40 0.00 -0.74 0.00 0.00 36.82 37.16 2agh h ILE 611 CO 0.08 0.06 -0.76 0.12 0.00 0.00 0.00 178.15 177.65 2agh s PHE 612 N -6.16 1.52 -0.54 1.37 5.36 -0.80 -4.96 117.98 113.78 2agh s PHE 612 Ca -0.13 -1.66 -0.26 0.00 -0.96 0.00 0.00 56.93 53.92 2agh s PHE 612 Cb 0.11 -1.60 -0.08 0.00 -0.34 0.00 0.00 43.02 41.10 2agh s PHE 612 CO 0.71 -0.87 2.43 -2.30 -1.46 0.00 0.00 175.22 173.73 2agh n PRO 613 N 4.82 0.95 -1.35 10.12 -0.02 -1.20 -4.63 135.00 143.69 2agh n PRO 613 Ca -0.02 -0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.00 2agh n PRO 613 Cb 0.42 -3.39 0.04 0.00 -0.02 0.00 0.00 33.50 30.55 2agh n PRO 613 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2agh n THR 614 N 8.05 1.52 0.12 3.45 -2.24 -1.26 -4.98 114.28 118.95 2agh n THR 614 Ca 0.39 -0.48 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 2agh n THR 614 Cb 0.52 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 2agh n THR 614 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2agh h PRO 615 N -0.02 0.49 -3.00 -0.78 0.13 -2.01 -3.48 132.00 123.32 2agh h PRO 615 Ca -0.44 -0.77 -0.04 0.00 -0.87 0.00 0.00 66.00 63.88 2agh h PRO 615 Cb 1.39 0.28 -0.13 0.00 0.13 0.00 0.00 31.00 32.67 2agh h PRO 615 CO 0.44 1.36 0.11 -0.51 -0.23 0.00 0.00 178.00 179.16 2agh s ASP 616 N -7.42 -0.47 0.54 1.44 1.01 -1.26 -5.06 116.67 105.44 2agh s ASP 616 Ca -0.08 -0.01 0.33 0.00 0.71 0.00 0.00 52.55 53.51 2agh s ASP 616 Cb 0.05 0.55 1.33 0.00 1.01 0.00 0.00 42.92 45.86 2agh s ASP 616 CO 0.93 -0.88 1.97 1.55 0.21 0.00 0.00 175.17 178.95 2agh h PRO 617 N 2.29 0.00 0.00 8.23 0.13 -2.04 -2.34 132.00 138.27 2agh h PRO 617 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2agh h PRO 617 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2agh h PRO 617 CO 0.41 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.15 2agh h ALA 618 N 2.01 1.18 -0.45 -0.56 0.00 -2.00 -3.00 119.26 116.44 2agh h ALA 618 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2agh h ALA 618 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2agh h ALA 618 CO 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 179.25 179.03 2agh h ALA 619 N 1.97 0.71 0.00 0.00 0.00 -1.81 -3.25 119.26 116.88 2agh h ALA 619 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2agh h ALA 619 Cb 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2agh h ALA 619 CO 0.00 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.81 2agh h LEU 620 N 0.80 0.00 -2.29 0.00 3.38 -1.70 -2.36 115.31 113.13 2agh h LEU 620 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2agh h LEU 620 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2agh h LEU 620 CO 0.07 0.04 0.00 2.29 0.09 0.00 0.00 178.44 180.93 2agh n LYS 621 N -4.25 2.47 -4.39 1.13 2.85 -1.23 -4.54 118.16 110.21 2agh n LYS 621 Ca -0.03 -2.25 -0.24 0.00 -1.05 0.00 0.00 58.31 54.74 2agh n LYS 621 Cb 0.12 -1.51 -0.09 0.00 -0.65 0.00 0.00 35.03 32.91 2agh n LYS 621 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2agh s ASP 622 N -1.24 4.00 0.46 -5.58 2.15 -0.89 -4.99 116.67 110.58 2agh s ASP 622 Ca 0.41 -0.83 0.20 0.00 0.43 0.00 0.00 52.55 52.76 2agh s ASP 622 Cb 0.23 -0.54 1.18 0.00 -0.30 0.00 0.00 42.92 43.49 2agh s ASP 622 CO 0.31 0.04 1.93 0.03 -0.17 0.00 0.00 175.17 177.31 2agh h ARG 623 N 2.24 0.26 -0.06 4.34 -0.00 -1.93 -0.43 114.38 118.80 2agh h ARG 623 Ca -0.43 -0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.06 2agh h ARG 623 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 31.16 2agh h ARG 623 CO 0.59 0.17 0.12 0.00 0.00 0.00 0.00 179.97 180.85 2agh h ARG 624 N 0.27 0.00 0.00 0.04 3.08 -1.97 -2.59 114.38 113.22 2agh h ARG 624 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2agh h ARG 624 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2agh h ARG 624 CO -0.08 0.00 -0.75 -1.33 -1.07 0.00 0.00 179.97 176.74 2agh n MET 625 N -3.45 1.98 -0.27 0.04 2.81 -0.44 -4.63 117.12 113.17 2agh n MET 625 Ca -0.01 -0.01 0.12 0.00 -1.81 0.00 0.00 57.70 55.99 2agh n MET 625 Cb 0.21 -0.88 0.38 0.00 -0.71 0.00 0.00 33.22 32.22 2agh n MET 625 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2agh h GLU 626 N 0.00 0.67 -0.14 0.03 4.81 -0.86 0.21 114.58 119.29 2agh h GLU 626 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2agh h GLU 626 Cb 0.03 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2agh h GLU 626 CO 0.00 0.44 0.03 -0.97 -0.73 0.00 0.00 179.01 177.78 2agh h ASN 627 N 0.69 0.01 -0.42 1.04 -1.24 -1.74 -1.09 115.58 112.84 2agh h ASN 627 Ca 0.45 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.40 2agh h ASN 627 Cb 0.71 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 2agh h ASN 627 CO -0.20 0.03 -0.05 0.25 -1.29 0.00 0.00 177.43 176.17 2agh h LEU 628 N 0.09 0.77 -0.61 0.34 6.46 -1.50 -2.18 115.31 118.68 2agh h LEU 628 Ca 0.06 -0.34 0.08 0.00 -0.12 0.00 0.00 57.88 57.57 2agh h LEU 628 Cb 0.05 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 39.71 2agh h LEU 628 CO -0.08 0.92 0.27 0.58 -0.62 0.00 0.00 178.44 179.51 2agh h VAL 629 N 0.60 0.84 -0.46 1.05 2.07 -0.61 0.14 116.25 119.87 2agh h VAL 629 Ca 0.11 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2agh h VAL 629 Cb 0.56 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2agh h VAL 629 CO 0.03 0.09 0.01 0.00 0.02 0.00 0.00 177.57 177.72 2agh h ALA 630 N 1.39 0.62 -0.67 1.67 0.00 -1.04 -0.09 119.26 121.13 2agh h ALA 630 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2agh h ALA 630 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2agh h ALA 630 CO -0.26 0.41 0.36 -0.92 0.00 0.00 0.00 179.25 178.84 2agh h TYR 631 N 0.66 0.93 -0.65 0.00 3.20 -1.18 -0.58 116.97 119.35 2agh h TYR 631 Ca 0.13 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2agh h TYR 631 Cb 0.49 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2agh h TYR 631 CO 0.04 0.67 0.40 0.00 -1.64 0.00 0.00 178.16 177.62 2agh h ALA 632 N 1.18 0.83 -0.48 1.82 0.00 -0.49 -0.50 119.26 121.62 2agh h ALA 632 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2agh h ALA 632 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2agh h ALA 632 CO -0.04 0.30 0.32 0.87 0.00 0.00 0.00 179.25 180.70 2agh h LYS 633 N 0.88 0.63 -0.34 0.00 1.57 -0.81 -0.16 116.57 118.34 2agh h LYS 633 Ca 0.23 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2agh h LYS 633 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2agh h LYS 633 CO -0.05 0.42 0.21 -0.22 -0.57 0.00 0.00 179.45 179.24 2agh h LYS 634 N 0.65 0.42 -0.26 3.15 3.64 -0.68 -1.75 116.57 121.74 2agh h LYS 634 Ca 0.17 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 2agh h LYS 634 Cb -0.07 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2agh h LYS 634 CO -0.04 0.28 -0.39 0.28 -2.27 0.00 0.00 179.45 177.31 2agh h VAL 635 N 0.43 1.30 -0.84 2.00 2.07 -1.05 -3.08 116.25 117.09 2agh h VAL 635 Ca 0.13 -1.59 0.13 0.00 0.82 0.00 0.00 66.70 66.20 2agh h VAL 635 Cb -0.02 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 2agh h VAL 635 CO -0.05 0.51 0.45 -0.08 0.02 0.00 0.00 177.57 178.41 2agh h GLU 636 N 0.45 0.65 0.00 1.57 4.22 -0.89 -1.16 114.58 119.43 2agh h GLU 636 Ca 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.38 2agh h GLU 636 Cb 0.98 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2agh h GLU 636 CO 0.09 0.43 -0.20 0.78 -2.18 0.00 0.00 179.01 177.93 2agh h GLY 637 N 0.67 0.00 1.19 1.92 0.00 -1.28 -1.29 103.07 104.28 2agh h GLY 637 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.45 2agh h GLY 637 CO -0.33 0.00 -1.38 -1.80 0.00 0.00 0.00 176.54 173.04 2agh h ASP 638 N 0.00 0.82 -0.85 0.19 3.58 -1.15 -1.07 116.42 117.94 2agh h ASP 638 Ca -0.00 -0.91 -0.03 0.00 0.42 0.00 0.00 57.03 56.51 2agh h ASP 638 Cb 0.36 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2agh h ASP 638 CO 0.03 1.67 0.43 0.24 -2.88 0.00 0.00 179.24 178.72 2agh h MET 639 N 0.11 1.21 -0.07 0.28 2.86 -1.25 -2.78 114.93 115.28 2agh h MET 639 Ca -0.24 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 2agh h MET 639 Cb 2.08 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 33.51 2agh h MET 639 CO 0.26 0.92 0.02 -0.92 1.06 0.00 0.00 176.91 178.25 2agh h TYR 640 N 1.20 0.11 0.00 -0.22 3.20 -1.29 -3.03 116.97 116.95 2agh h TYR 640 Ca 0.29 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2agh h TYR 640 Cb 0.09 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2agh h TYR 640 CO 0.01 0.27 -0.02 1.49 -1.64 0.00 0.00 178.16 178.27 2agh h GLU 641 N -0.07 0.00 0.00 1.82 4.81 -1.03 -3.26 114.58 116.84 2agh h GLU 641 Ca 0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2agh h GLU 641 Cb 0.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2agh h GLU 641 CO -0.00 0.02 -1.62 0.43 -0.73 0.00 0.00 179.01 177.11 2agh n SER 642 N -3.41 1.93 -4.73 1.04 7.64 -1.06 -5.00 113.62 110.03 2agh n SER 642 Ca -0.03 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 2agh n SER 642 Cb 0.12 1.60 -0.04 0.00 -1.01 0.00 0.00 64.21 64.87 2agh n SER 642 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2agh s ALA 643 N -2.92 3.23 -2.30 -0.43 0.00 -1.15 -4.96 121.76 113.23 2agh s ALA 643 Ca -0.05 0.58 0.22 0.00 0.00 0.00 0.00 51.96 52.71 2agh s ALA 643 Cb 0.08 -3.30 0.84 0.00 0.00 0.00 0.00 23.12 20.75 2agh s ALA 643 CO 0.56 -0.08 1.60 0.27 0.00 0.00 0.00 175.76 178.12 2agh n ASN 644 N 3.00 1.52 -3.68 0.00 6.94 -1.26 -4.88 115.26 116.89 2agh n ASN 644 Ca 0.03 -1.64 -0.11 0.00 -0.02 0.00 0.00 54.58 52.84 2agh n ASN 644 Cb 0.49 -0.08 -0.06 0.00 -2.36 0.00 0.00 39.78 37.78 2agh n ASN 644 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2agh s SER 645 N -1.66 -0.18 0.25 0.53 1.04 -1.26 -4.84 113.70 107.59 2agh s SER 645 Ca 0.33 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.43 2agh s SER 645 Cb 0.18 0.43 0.31 0.00 0.10 0.00 0.00 66.02 67.04 2agh s SER 645 CO 0.28 -0.78 1.79 -0.09 0.98 0.00 0.00 173.24 175.42 2agh h ARG 646 N 2.61 0.93 -0.68 4.02 2.43 -1.90 -0.85 114.38 120.94 2agh h ARG 646 Ca -0.33 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2agh h ARG 646 Cb 1.23 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2agh h ARG 646 CO 0.48 0.83 0.40 0.22 -1.51 0.00 0.00 179.97 180.39 2agh h ASP 647 N 0.89 0.82 -0.55 -3.80 3.58 -1.99 -0.70 116.42 114.68 2agh h ASP 647 Ca 0.19 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 2agh h ASP 647 Cb 0.32 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2agh h ASP 647 CO -0.00 0.64 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.82 2agh h GLU 648 N 0.92 1.04 0.12 0.28 4.81 -1.89 -0.50 114.58 119.36 2agh h GLU 648 Ca 0.24 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2agh h GLU 648 Cb -0.02 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2agh h GLU 648 CO -0.04 1.08 -0.16 -0.92 -0.73 0.00 0.00 179.01 178.23 2agh h TYR 649 N 0.92 -0.43 -0.46 0.92 3.20 -0.96 0.61 116.97 120.78 2agh h TYR 649 Ca 0.14 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.10 2agh h TYR 649 Cb 0.67 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.05 2agh h TYR 649 CO 0.05 -0.25 0.07 1.88 -1.64 0.00 0.00 178.16 178.27 2agh h TYR 650 N -0.34 0.12 -0.53 -3.82 0.05 -1.09 -0.60 116.97 110.75 2agh h TYR 650 Ca 0.02 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.85 2agh h TYR 650 Cb 0.34 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.06 2agh h TYR 650 CO -0.16 -0.02 0.31 1.25 -1.05 0.00 0.00 178.16 178.50 2agh h HIS 651 N 0.20 0.59 -0.51 4.88 2.76 -0.76 0.71 115.15 123.01 2agh h HIS 651 Ca 0.23 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2agh h HIS 651 Cb 0.30 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2agh h HIS 651 CO -0.23 0.33 0.23 -0.07 -1.30 0.00 0.00 177.93 176.89 2agh h LEU 652 N 0.62 0.69 0.53 0.26 3.38 -0.54 0.57 115.31 120.82 2agh h LEU 652 Ca 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2agh h LEU 652 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2agh h LEU 652 CO -0.10 0.64 -0.34 -0.07 0.09 0.00 0.00 178.44 178.66 2agh h LEU 653 N 0.69 -0.86 -0.93 1.67 3.38 -0.92 -3.00 115.31 115.34 2agh h LEU 653 Ca 0.17 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2agh h LEU 653 Cb 0.15 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2agh h LEU 653 CO -0.02 -0.53 -0.41 0.00 0.09 0.00 0.00 178.44 177.57 2agh h ALA 654 N -0.45 1.01 -0.16 1.53 0.00 -0.71 -1.77 119.26 118.70 2agh h ALA 654 Ca -0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2agh h ALA 654 Cb 0.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2agh h ALA 654 CO 0.05 0.51 -0.25 1.49 0.00 0.00 0.00 179.25 181.06 2agh h GLU 655 N 0.00 0.46 -0.89 0.00 4.57 -0.97 -0.67 114.58 117.07 2agh h GLU 655 Ca -0.00 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 57.96 2agh h GLU 655 Cb 0.92 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 2agh h GLU 655 CO 0.05 0.86 0.58 1.57 -1.18 0.00 0.00 179.01 180.90 2agh h LYS 656 N 0.09 1.00 0.22 1.92 5.09 -1.35 -0.48 116.57 123.06 2agh h LYS 656 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 60.65 60.68 2agh h LYS 656 Cb 0.82 -0.23 0.00 0.00 0.10 0.00 0.00 32.23 32.93 2agh h LYS 656 CO 0.06 0.66 -0.11 0.82 -2.09 0.00 0.00 179.45 178.79 2agh h ILE 657 N 1.03 0.84 -0.49 0.07 1.08 -1.28 -2.31 117.51 116.45 2agh h ILE 657 Ca 0.37 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2agh h ILE 657 Cb 0.16 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2agh h ILE 657 CO -0.13 0.08 0.05 0.22 -0.69 0.00 0.00 178.15 177.67 2agh h TYR 658 N -0.46 0.83 -0.19 1.37 5.03 -0.69 -0.62 116.97 122.23 2agh h TYR 658 Ca -0.03 -0.10 0.04 0.00 2.58 0.00 0.00 58.73 61.22 2agh h TYR 658 Cb 0.35 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.35 2agh h TYR 658 CO -0.01 0.74 -0.07 -0.22 -1.32 0.00 0.00 178.16 177.27 2agh h LYS 659 N 0.75 -0.04 -0.96 1.82 3.11 -1.09 -0.32 116.57 119.85 2agh h LYS 659 Ca 0.15 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 58.06 2agh h LYS 659 Cb 0.38 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.56 2agh h LYS 659 CO 0.01 -0.03 0.61 0.82 -2.81 0.00 0.00 179.45 178.06 2agh h ILE 660 N -0.04 1.09 0.14 2.00 2.04 -1.06 -2.40 117.51 119.28 2agh h ILE 660 Ca 0.10 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2agh h ILE 660 Cb 0.19 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2agh h ILE 660 CO -0.22 0.21 -0.07 -0.61 0.00 0.00 0.00 178.15 177.45 2agh h GLN 661 N 1.12 -0.18 0.00 2.37 5.75 0.28 -1.86 115.11 122.59 2agh h GLN 661 Ca 0.41 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.86 2agh h GLN 661 Cb 0.14 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2agh h GLN 661 CO -0.17 0.05 -0.28 1.57 -2.65 0.00 0.00 178.83 177.36 2agh h LYS 662 N -0.40 0.00 0.18 1.69 2.10 -1.14 -0.69 116.57 118.31 2agh h LYS 662 Ca -0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2agh h LYS 662 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2agh h LYS 662 CO 0.03 0.28 -0.09 1.49 -2.00 0.00 0.00 179.45 179.16 2agh h GLU 663 N 0.00 -0.23 -0.21 0.07 4.57 -1.35 -2.99 114.58 114.43 2agh h GLU 663 Ca -0.00 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2agh h GLU 663 Cb 0.93 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2agh h GLU 663 CO 0.04 0.00 0.12 -0.07 -1.18 0.00 0.00 179.01 177.92 2agh h LEU 664 N -0.45 0.20 -2.25 1.64 4.07 -1.25 -0.52 115.31 116.75 2agh h LEU 664 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2agh h LEU 664 Cb 0.35 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2agh h LEU 664 CO 0.04 0.15 0.10 -0.08 -1.08 0.00 0.00 178.44 177.57 2agh h GLU 665 N 0.26 0.00 0.00 1.13 4.81 -1.15 -1.81 114.58 117.82 2agh h GLU 665 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2agh h GLU 665 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2agh h GLU 665 CO -0.04 0.00 -0.81 -1.91 -0.73 0.00 0.00 179.01 175.52 2agh n GLU 666 N -2.77 0.43 0.30 1.92 2.13 -1.10 -4.38 120.64 117.18 2agh n GLU 666 Ca -0.02 0.17 0.18 0.00 0.66 0.00 0.00 57.16 58.15 2agh n GLU 666 Cb 0.16 -1.25 0.96 0.00 0.27 0.00 0.00 31.44 31.57 2agh n GLU 666 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2agh h LYS 667 N -0.81 0.00 -0.01 5.31 1.79 -1.05 0.08 116.57 121.88 2agh h LYS 667 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2agh h LYS 667 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2agh h LYS 667 CO 0.00 0.03 -0.62 0.54 -1.08 0.00 0.00 179.45 178.33 2agh n ARG 668 N -3.38 0.69 -0.03 3.15 5.12 -0.69 -4.58 116.66 116.94 2agh n ARG 668 Ca -0.02 -0.54 -0.04 0.00 -1.93 0.00 0.00 57.85 55.32 2agh n ARG 668 Cb 0.15 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 2agh n ARG 668 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2agh n ARG 669 N -0.68 1.72 -0.70 5.56 0.63 -0.28 -4.71 116.66 118.20 2agh n ARG 669 Ca 0.08 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.94 2agh n ARG 669 Cb 0.40 -1.15 -0.12 0.00 0.45 0.00 0.00 32.46 32.04 2agh n ARG 669 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2agh n SER 670 N -2.45 3.71 -0.27 6.15 7.64 -0.14 -3.73 113.62 124.52 2agh n SER 670 Ca -0.11 -2.19 0.02 0.00 1.01 0.00 0.00 58.87 57.60 2agh n SER 670 Cb 0.67 -1.00 0.03 0.00 -1.01 0.00 0.00 64.21 62.90 2agh n SER 670 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2agh n ARG 671 N 2.62 0.54 0.00 1.43 5.12 -1.26 -5.01 116.66 120.09 2agh n ARG 671 Ca 0.30 -1.33 0.00 0.00 -1.93 0.00 0.00 57.85 54.89 2agh n ARG 671 Cb 0.64 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 2agh n ARG 671 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98