#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqb s HIS 639 N 0.00 3.64 -0.13 6.00 2.46 -1.26 -5.09 115.29 120.91 2nqb s HIS 639 Ca 0.00 0.81 -0.06 0.00 0.47 0.00 0.00 55.06 56.28 2nqb s HIS 639 Cb 0.00 -2.16 0.06 0.00 -0.13 0.00 0.00 32.58 30.34 2nqb s HIS 639 CO 0.00 0.60 0.28 0.50 -2.47 0.00 0.00 174.74 173.65 2nqb s ARG 640 N -1.50 0.21 0.43 2.88 3.52 -1.26 -5.14 118.95 118.10 2nqb s ARG 640 Ca 0.27 0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 56.31 2nqb s ARG 640 Cb -0.15 -0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.09 2nqb s ARG 640 CO 0.15 -0.21 1.03 0.71 -0.81 0.00 0.00 175.30 176.17 2nqb s TYR 641 N 1.72 3.18 0.50 5.12 1.51 -1.26 -5.02 117.35 123.11 2nqb s TYR 641 Ca -0.06 1.62 -0.21 0.00 -1.01 0.00 0.00 57.07 57.42 2nqb s TYR 641 Cb -0.11 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.61 2nqb s TYR 641 CO -0.09 -0.61 1.09 1.03 -1.11 0.00 0.00 175.55 175.86 2nqb s ARG 642 N -2.84 3.64 0.13 -0.62 0.52 -1.26 -4.93 118.95 113.58 2nqb s ARG 642 Ca 0.62 1.52 -0.34 0.00 -0.52 0.00 0.00 55.73 57.01 2nqb s ARG 642 Cb -0.18 -2.13 -0.13 0.00 0.52 0.00 0.00 34.95 33.03 2nqb s ARG 642 CO 0.23 -0.59 1.64 -0.35 0.02 0.00 0.00 175.30 176.24 2nqb n PRO 643 N -0.98 2.22 0.00 3.54 -0.04 -1.26 -1.74 135.00 136.74 2nqb n PRO 643 Ca 0.10 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2nqb n PRO 643 Cb 0.51 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2nqb n PRO 643 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nqb n GLY 644 N 3.62 2.67 0.17 0.55 0.00 -1.26 -4.94 105.19 106.00 2nqb n GLY 644 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2nqb n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nqb h THR 645 N 0.00 1.35 -0.04 2.61 2.02 -1.71 -2.44 112.91 114.71 2nqb h THR 645 Ca 0.00 -1.63 -0.19 0.00 0.77 0.00 0.00 66.41 65.35 2nqb h THR 645 Cb 0.00 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2nqb h THR 645 CO 0.00 0.49 -0.80 0.58 0.37 0.00 0.00 175.52 176.17 2nqb h VAL 646 N 0.14 1.41 -0.54 3.16 2.07 -1.92 -2.42 116.25 118.15 2nqb h VAL 646 Ca -0.00 -2.29 0.02 0.00 0.82 0.00 0.00 66.70 65.24 2nqb h VAL 646 Cb 0.97 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 2nqb h VAL 646 CO 0.08 0.68 0.34 0.00 0.02 0.00 0.00 177.57 178.69 2nqb h ALA 647 N 0.92 0.69 -0.69 1.67 0.00 -1.92 0.16 119.26 120.09 2nqb h ALA 647 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2nqb h ALA 647 Cb 1.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2nqb h ALA 647 CO 0.13 0.07 0.29 -0.07 0.00 0.00 0.00 179.25 179.67 2nqb h LEU 648 N 0.68 0.94 -1.34 0.00 3.38 -1.37 0.68 115.31 118.27 2nqb h LEU 648 Ca 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2nqb h LEU 648 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2nqb h LEU 648 CO -0.07 0.84 0.22 -0.09 0.09 0.00 0.00 178.44 179.43 2nqb h ARG 649 N 0.97 0.67 -0.27 1.13 2.43 -0.89 -1.77 114.38 116.65 2nqb h ARG 649 Ca 0.23 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2nqb h ARG 649 Cb 0.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2nqb h ARG 649 CO -0.02 0.53 -0.48 0.93 -1.51 0.00 0.00 179.97 179.42 2nqb h GLU 650 N 0.67 0.80 -0.36 0.20 5.08 0.42 -1.37 114.58 120.02 2nqb h GLU 650 Ca 0.17 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2nqb h GLU 650 Cb 0.09 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2nqb h GLU 650 CO -0.02 1.13 0.21 0.82 -1.00 0.00 0.00 179.01 180.15 2nqb h ILE 651 N 0.55 1.04 -0.54 3.13 2.04 -0.57 -0.16 117.51 123.00 2nqb h ILE 651 Ca 0.02 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2nqb h ILE 651 Cb 1.08 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2nqb h ILE 651 CO 0.11 0.08 0.05 0.03 0.00 0.00 0.00 178.15 178.42 2nqb h ARG 652 N 0.43 0.89 0.08 2.37 3.08 -1.26 -0.66 114.38 119.31 2nqb h ARG 652 Ca 0.14 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2nqb h ARG 652 Cb -0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2nqb h ARG 652 CO -0.06 0.85 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.56 2nqb h ARG 653 N 0.83 -0.11 0.00 0.04 2.43 -0.91 -2.83 114.38 113.83 2nqb h ARG 653 Ca 0.17 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2nqb h ARG 653 Cb 0.42 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2nqb h ARG 653 CO 0.01 0.19 -0.47 1.88 -1.51 0.00 0.00 179.97 180.07 2nqb h TYR 654 N -0.41 0.00 0.00 2.20 -1.99 -0.93 -2.44 116.97 113.40 2nqb h TYR 654 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2nqb h TYR 654 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 2nqb h TYR 654 CO 0.02 0.47 0.00 1.96 -0.00 0.00 0.00 178.16 180.61 2nqb h GLN 655 N 0.00 0.00 0.00 4.88 4.20 -1.15 -2.90 115.11 120.14 2nqb h GLN 655 Ca -0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2nqb h GLN 655 Cb 0.92 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 2nqb h GLN 655 CO 0.06 0.00 -1.35 -0.22 -0.67 0.00 0.00 178.83 176.65 2nqb h LYS 656 N 0.00 0.00 -6.48 1.46 3.64 -1.19 -3.48 116.57 110.53 2nqb h LYS 656 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 2nqb h LYS 656 Cb 0.56 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2nqb h LYS 656 CO 0.00 0.28 -0.24 -1.54 -2.27 0.00 0.00 179.45 175.68 2nqb s SER 657 N -5.79 5.61 0.00 4.20 1.04 -1.03 -5.05 113.70 112.68 2nqb s SER 657 Ca -0.02 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2nqb s SER 657 Cb 0.09 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2nqb s SER 657 CO 0.81 -0.81 0.26 0.35 0.98 0.00 0.00 173.24 174.83 2nqb n THR 658 N -1.90 0.00 -1.43 2.02 -2.24 -1.26 -4.96 114.28 104.51 2nqb n THR 658 Ca 0.08 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 2nqb n THR 658 Cb 0.59 1.24 0.08 0.00 -2.10 0.00 0.00 70.33 70.15 2nqb n THR 658 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2nqb s GLU 659 N -0.16 2.31 0.34 -0.78 1.03 -1.26 -4.96 118.70 115.21 2nqb s GLU 659 Ca 0.00 1.43 -0.29 0.00 0.03 0.00 0.00 54.97 56.15 2nqb s GLU 659 Cb 0.00 -1.89 -0.10 0.00 -0.80 0.00 0.00 34.13 31.34 2nqb s GLU 659 CO 0.00 -1.64 1.38 -0.51 -1.33 0.00 0.00 175.26 173.15 2nqb s LEU 660 N -5.40 4.39 0.00 1.83 1.43 -1.26 -4.95 118.68 114.73 2nqb s LEU 660 Ca 0.67 2.80 0.22 0.00 -1.03 0.00 0.00 54.13 56.79 2nqb s LEU 660 Cb -0.22 -3.65 -0.18 0.00 0.03 0.00 0.00 46.19 42.17 2nqb s LEU 660 CO 0.48 -0.66 0.82 0.18 0.23 0.00 0.00 176.35 177.40 2nqb n LEU 661 N 0.84 0.60 -4.84 1.79 4.77 -1.26 -4.90 117.00 114.00 2nqb n LEU 661 Ca 0.01 -0.22 -0.37 0.00 -0.03 0.00 0.00 56.01 55.39 2nqb n LEU 661 Cb 0.41 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2nqb n LEU 661 CO 0.61 0.12 -0.01 -0.63 -1.33 0.00 0.00 177.39 176.15 2nqb s ILE 662 N -3.20 5.23 0.37 -0.08 1.01 -1.26 -5.05 121.20 118.21 2nqb s ILE 662 Ca 0.02 0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.98 2nqb s ILE 662 Cb 0.15 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 2nqb s ILE 662 CO 0.86 0.57 1.37 0.54 0.00 0.00 0.00 174.94 178.29 2nqb n ARG 663 N 2.06 2.33 0.25 2.79 5.12 -1.26 -4.94 116.66 123.01 2nqb n ARG 663 Ca -0.16 0.82 -0.14 0.00 -1.93 0.00 0.00 57.85 56.44 2nqb n ARG 663 Cb 0.53 -2.48 -0.08 0.00 -1.16 0.00 0.00 32.46 29.28 2nqb n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2nqb h LYS 664 N 2.65 -0.62 -0.51 5.56 1.57 -1.96 -2.83 116.57 120.43 2nqb h LYS 664 Ca -0.48 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2nqb h LYS 664 Cb 1.27 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 2nqb h LYS 664 CO 0.63 -0.32 0.26 1.25 -0.57 0.00 0.00 179.45 180.70 2nqb h LEU 665 N -0.91 0.38 -0.96 2.94 5.85 -1.99 -1.03 115.31 119.59 2nqb h LEU 665 Ca -0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2nqb h LEU 665 Cb 0.59 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2nqb h LEU 665 CO 0.11 0.26 0.51 -0.65 -0.34 0.00 0.00 178.44 178.33 2nqb h PRO 666 N 0.51 1.24 -0.47 5.25 0.11 -1.97 -1.67 132.00 135.00 2nqb h PRO 666 Ca 0.22 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 2nqb h PRO 666 Cb 0.12 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2nqb h PRO 666 CO -0.15 0.89 0.13 0.35 -0.21 0.00 0.00 178.00 179.00 2nqb h PHE 667 N 1.25 0.78 -0.97 0.65 3.57 -1.15 -2.22 116.94 118.85 2nqb h PHE 667 Ca 0.32 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.78 2nqb h PHE 667 Cb -0.00 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.45 2nqb h PHE 667 CO 0.01 0.70 0.63 0.37 -2.23 0.00 0.00 178.31 177.79 2nqb h GLN 668 N 0.63 1.14 -0.62 1.11 4.15 -0.73 -1.21 115.11 119.60 2nqb h GLN 668 Ca 0.15 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.42 2nqb h GLN 668 Cb 0.30 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2nqb h GLN 668 CO -0.00 0.76 0.07 0.00 -1.93 0.00 0.00 178.83 177.73 2nqb h ARG 669 N 1.18 1.04 -0.43 1.69 3.08 -1.07 -1.09 114.38 118.79 2nqb h ARG 669 Ca 0.40 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2nqb h ARG 669 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2nqb h ARG 669 CO -0.14 0.99 0.25 1.25 -1.07 0.00 0.00 179.97 181.25 2nqb h LEU 670 N 0.95 0.52 -0.59 3.04 5.85 -0.76 0.84 115.31 125.16 2nqb h LEU 670 Ca 0.18 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2nqb h LEU 670 Cb 0.47 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2nqb h LEU 670 CO 0.02 0.43 0.28 0.58 -0.34 0.00 0.00 178.44 179.41 2nqb h VAL 671 N 0.56 1.21 -0.40 1.05 2.07 -1.05 -0.73 116.25 118.97 2nqb h VAL 671 Ca 0.15 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 2nqb h VAL 671 Cb 0.01 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2nqb h VAL 671 CO -0.03 0.24 -0.16 0.03 0.02 0.00 0.00 177.57 177.67 2nqb h ARG 672 N 0.80 0.73 0.13 1.57 3.08 -0.90 -0.19 114.38 119.60 2nqb h ARG 672 Ca 0.20 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2nqb h ARG 672 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2nqb h ARG 672 CO -0.03 0.85 -0.06 1.49 -1.07 0.00 0.00 179.97 181.16 2nqb h GLU 673 N 0.66 -0.17 -0.18 0.04 4.81 -0.56 0.31 114.58 119.49 2nqb h GLU 673 Ca 0.10 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2nqb h GLU 673 Cb 0.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2nqb h GLU 673 CO 0.04 0.12 0.10 0.82 -0.73 0.00 0.00 179.01 179.37 2nqb h ILE 674 N -0.46 1.08 -0.95 2.32 2.04 -1.10 -2.02 117.51 118.42 2nqb h ILE 674 Ca -0.02 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2nqb h ILE 674 Cb 0.37 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2nqb h ILE 674 CO 0.03 0.08 0.62 0.00 0.00 0.00 0.00 178.15 178.88 2nqb h ALA 675 N 1.01 1.20 -0.98 1.87 0.00 -0.99 -1.93 119.26 119.45 2nqb h ALA 675 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2nqb h ALA 675 Cb 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.39 2nqb h ALA 675 CO -0.01 0.61 0.64 0.37 0.00 0.00 0.00 179.25 180.86 2nqb h GLN 676 N 1.29 1.25 0.00 0.00 4.15 -0.65 0.21 115.11 121.36 2nqb h GLN 676 Ca 0.35 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 2nqb h GLN 676 Cb -0.14 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.26 2nqb h GLN 676 CO -0.07 0.83 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.09 2nqb h ASP 677 N 1.29 0.00 0.14 -0.69 3.32 -0.62 -2.86 116.42 117.01 2nqb h ASP 677 Ca 0.37 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.06 2nqb h ASP 677 Cb -0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2nqb h ASP 677 CO -0.09 0.12 -1.93 0.15 -1.72 0.00 0.00 179.24 175.78 2nqb h PHE 678 N 0.00 0.55 -2.47 4.55 3.57 -0.88 -3.47 116.94 118.79 2nqb h PHE 678 Ca -0.00 -0.40 -0.08 0.00 3.53 0.00 0.00 57.97 61.02 2nqb h PHE 678 Cb 0.35 -0.02 -0.25 0.00 2.79 0.00 0.00 35.95 38.82 2nqb h PHE 678 CO 0.00 1.76 -0.21 0.21 -2.23 0.00 0.00 178.31 177.84 2nqb s LYS 679 N -2.56 0.48 0.53 1.11 2.36 0.57 -5.13 119.74 117.11 2nqb s LYS 679 Ca -0.21 0.90 -0.09 0.00 -2.55 0.00 0.00 55.97 54.03 2nqb s LYS 679 Cb 0.06 0.03 -0.04 0.00 -1.05 0.00 0.00 37.83 36.83 2nqb s LYS 679 CO 0.79 -0.15 0.90 0.95 1.55 0.00 0.00 175.35 179.39 2nqb s THR 680 N 1.42 4.78 -0.68 3.43 -4.23 -1.24 -3.87 115.64 115.26 2nqb s THR 680 Ca -0.09 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2nqb s THR 680 Cb -0.07 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.93 2nqb s THR 680 CO -0.14 -0.92 0.00 0.47 -0.54 0.00 0.00 174.62 173.49 2nqb n ASP 681 N -2.29 -4.30 -4.79 3.99 9.92 -1.26 -5.00 116.55 112.82 2nqb n ASP 681 Ca 0.03 0.16 -0.36 0.00 -0.53 0.00 0.00 54.79 54.09 2nqb n ASP 681 Cb 0.54 -2.36 -0.05 0.00 -0.64 0.00 0.00 41.12 38.61 2nqb n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2nqb s LEU 682 N -1.45 4.15 0.37 0.64 1.43 -1.26 -5.07 118.68 117.48 2nqb s LEU 682 Ca 0.00 1.89 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2nqb s LEU 682 Cb 0.00 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 2nqb s LEU 682 CO 0.00 -0.34 0.08 -0.13 0.23 0.00 0.00 176.35 176.19 2nqb s ARG 683 N -2.53 2.17 -0.02 1.70 0.52 -1.26 -5.06 118.95 114.46 2nqb s ARG 683 Ca 0.57 -1.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.01 2nqb s ARG 683 Cb -0.18 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.35 2nqb s ARG 683 CO 0.23 0.05 0.04 -0.06 0.02 0.00 0.00 175.30 175.58 2nqb s PHE 684 N -2.54 0.01 0.54 -0.53 0.40 -1.26 -5.13 117.98 109.47 2nqb s PHE 684 Ca 0.37 0.17 -0.20 0.00 -0.60 0.00 0.00 56.93 56.67 2nqb s PHE 684 Cb 0.01 -0.21 -0.06 0.00 0.51 0.00 0.00 43.02 43.27 2nqb s PHE 684 CO 0.21 -0.10 1.16 -0.65 0.70 0.00 0.00 175.22 176.54 2nqb s GLN 685 N 1.04 3.36 0.34 0.44 -0.21 -1.26 -4.90 119.66 118.47 2nqb s GLN 685 Ca -0.09 1.70 0.03 0.00 0.02 0.00 0.00 55.36 57.02 2nqb s GLN 685 Cb -0.12 -2.08 0.60 0.00 1.00 0.00 0.00 33.01 32.40 2nqb s GLN 685 CO -0.03 -0.86 1.94 0.66 -2.12 0.00 0.00 175.29 174.87 2nqb h SER 686 N 1.33 0.65 0.55 5.90 4.64 -2.01 -2.12 113.55 122.49 2nqb h SER 686 Ca -0.50 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.71 2nqb h SER 686 Cb 1.27 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2nqb h SER 686 CO 0.57 0.57 -0.23 0.77 -0.87 0.00 0.00 176.83 177.64 2nqb h SER 687 N 0.72 0.00 -0.49 4.97 4.64 -1.99 -2.19 113.55 119.21 2nqb h SER 687 Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2nqb h SER 687 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2nqb h SER 687 CO -0.02 0.23 0.03 0.00 -0.87 0.00 0.00 176.83 176.20 2nqb h ALA 688 N 1.77 0.66 -0.50 5.18 0.00 -1.75 0.17 119.26 124.79 2nqb h ALA 688 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2nqb h ALA 688 Cb 0.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2nqb h ALA 688 CO 0.03 0.44 -0.11 0.28 0.00 0.00 0.00 179.25 179.88 2nqb h VAL 689 N 0.71 1.26 -0.39 0.00 2.07 -1.37 -2.09 116.25 116.43 2nqb h VAL 689 Ca 0.14 -1.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.28 2nqb h VAL 689 Cb 0.47 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2nqb h VAL 689 CO 0.02 0.43 -0.31 0.24 0.02 0.00 0.00 177.57 177.97 2nqb h MET 690 N 0.83 0.87 -0.61 1.57 2.86 -1.18 -1.59 114.93 117.68 2nqb h MET 690 Ca 0.13 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2nqb h MET 690 Cb 0.65 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 2nqb h MET 690 CO 0.05 1.06 0.39 0.00 1.06 0.00 0.00 176.91 179.46 2nqb h ALA 691 N 0.91 0.78 -0.57 6.32 0.00 -0.50 0.07 119.26 126.27 2nqb h ALA 691 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2nqb h ALA 691 Cb 0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2nqb h ALA 691 CO 0.08 0.16 0.15 -0.07 0.00 0.00 0.00 179.25 179.57 2nqb h LEU 692 N 0.79 0.82 -0.25 0.00 3.38 -1.16 -1.78 115.31 117.10 2nqb h LEU 692 Ca 0.23 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 2nqb h LEU 692 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2nqb h LEU 692 CO -0.07 0.79 -0.68 -0.61 0.09 0.00 0.00 178.44 177.96 2nqb h GLN 693 N 0.85 0.78 -0.50 1.13 4.15 -0.67 -0.35 115.11 120.49 2nqb h GLN 693 Ca 0.19 -0.57 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 2nqb h GLN 693 Cb 0.29 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 2nqb h GLN 693 CO -0.00 1.19 0.21 0.93 -1.93 0.00 0.00 178.83 179.23 2nqb h GLU 694 N 0.56 0.74 -0.43 1.69 4.39 -0.84 -0.94 114.58 119.76 2nqb h GLU 694 Ca -0.02 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 2nqb h GLU 694 Cb 1.29 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2nqb h GLU 694 CO 0.14 0.65 -0.09 0.00 -1.16 0.00 0.00 179.01 178.54 2nqb h ALA 695 N 1.06 0.59 -0.49 3.43 0.00 -1.29 -1.37 119.26 121.19 2nqb h ALA 695 Ca 0.17 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2nqb h ALA 695 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2nqb h ALA 695 CO -0.02 0.47 0.09 0.77 0.00 0.00 0.00 179.25 180.57 2nqb h SER 696 N 0.65 0.77 -0.37 0.00 0.02 -0.96 -0.41 113.55 113.25 2nqb h SER 696 Ca 0.11 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 2nqb h SER 696 Cb 0.63 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2nqb h SER 696 CO 0.04 0.82 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.97 2nqb h GLU 697 N 0.68 0.88 -0.56 3.45 5.08 -1.12 -0.87 114.58 122.14 2nqb h GLU 697 Ca 0.15 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 2nqb h GLU 697 Cb 0.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2nqb h GLU 697 CO 0.01 1.04 -0.05 0.00 -1.00 0.00 0.00 179.01 179.01 2nqb h ALA 698 N 0.94 0.87 0.07 3.43 0.00 -1.10 -0.65 119.26 122.82 2nqb h ALA 698 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2nqb h ALA 698 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2nqb h ALA 698 CO 0.07 0.65 -0.08 -0.92 0.00 0.00 0.00 179.25 178.98 2nqb h TYR 699 N 0.90 -0.20 -0.57 0.00 3.20 -0.87 -1.62 116.97 117.82 2nqb h TYR 699 Ca 0.15 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2nqb h TYR 699 Cb 0.59 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 2nqb h TYR 699 CO 0.04 -0.12 0.23 -0.07 -1.64 0.00 0.00 178.16 176.60 2nqb h LEU 700 N -0.17 0.79 -0.36 2.82 3.38 -0.91 -0.59 115.31 120.27 2nqb h LEU 700 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2nqb h LEU 700 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2nqb h LEU 700 CO -0.03 0.75 0.23 0.58 0.09 0.00 0.00 178.44 180.06 2nqb h VAL 701 N 0.79 1.10 -0.42 1.22 2.07 -1.04 0.86 116.25 120.83 2nqb h VAL 701 Ca 0.19 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2nqb h VAL 701 Cb 0.20 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2nqb h VAL 701 CO -0.02 0.10 0.12 1.23 0.02 0.00 0.00 177.57 179.02 2nqb h GLY 702 N 0.48 0.67 0.88 2.17 0.00 -1.10 -1.36 103.07 104.81 2nqb h GLY 702 Ca 0.13 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 2nqb h GLY 702 CO -0.03 0.33 -0.16 -2.00 0.00 0.00 0.00 176.54 174.69 2nqb h LEU 703 N 0.61 0.58 -1.55 3.11 5.85 -0.48 -2.79 115.31 120.64 2nqb h LEU 703 Ca 0.14 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2nqb h LEU 703 Cb 0.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2nqb h LEU 703 CO -0.01 0.88 -0.00 -0.26 -0.34 0.00 0.00 178.44 178.71 2nqb h PHE 704 N 0.28 0.28 -0.33 1.25 0.05 -0.40 0.57 116.94 118.63 2nqb h PHE 704 Ca 0.05 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.80 2nqb h PHE 704 Cb 0.68 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.53 2nqb h PHE 704 CO 0.07 0.30 0.08 0.93 -0.18 0.00 0.00 178.31 179.50 2nqb h GLU 705 N 0.28 0.54 -0.52 1.51 5.08 -1.13 0.57 114.58 120.91 2nqb h GLU 705 Ca 0.07 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2nqb h GLU 705 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2nqb h GLU 705 CO 0.00 0.60 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.14 2nqb h ASP 706 N 0.38 0.88 -0.67 1.42 3.32 -1.13 -2.36 116.42 118.26 2nqb h ASP 706 Ca 0.10 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2nqb h ASP 706 Cb 0.31 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2nqb h ASP 706 CO 0.00 0.96 0.24 0.74 -1.72 0.00 0.00 179.24 179.46 2nqb h THR 707 N 0.83 1.25 -0.60 0.35 2.02 -0.69 -2.05 112.91 114.01 2nqb h THR 707 Ca 0.15 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 2nqb h THR 707 Cb 0.54 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2nqb h THR 707 CO 0.03 0.32 0.13 -1.13 0.37 0.00 0.00 175.52 175.25 2nqb h ASN 708 N 1.01 0.89 0.02 4.18 -1.24 -0.48 -1.33 115.58 118.63 2nqb h ASN 708 Ca 0.23 -0.18 -0.11 0.00 0.71 0.00 0.00 56.30 56.95 2nqb h ASN 708 Cb 0.25 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 2nqb h ASN 708 CO -0.01 0.87 -0.35 -0.07 -1.29 0.00 0.00 177.43 176.58 2nqb h LEU 709 N 0.90 0.47 -0.44 0.34 3.38 -0.99 -1.45 115.31 117.52 2nqb h LEU 709 Ca 0.19 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2nqb h LEU 709 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2nqb h LEU 709 CO 0.00 0.79 -0.17 0.00 0.09 0.00 0.00 178.44 179.15 2nqb h ALA 711 N 0.85 0.13 -0.83 0.00 0.00 -1.12 -2.67 119.26 115.62 2nqb h ALA 711 Ca 0.10 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nqb h ALA 711 Cb 0.73 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2nqb h ALA 711 CO 0.06 -0.29 0.55 0.82 0.00 0.00 0.00 179.25 180.39 2nqb h ILE 712 N 0.01 1.14 -0.50 0.00 2.04 -1.18 -1.14 117.51 117.87 2nqb h ILE 712 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2nqb h ILE 712 Cb 0.16 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 2nqb h ILE 712 CO -0.00 0.19 0.33 -0.74 0.00 0.00 0.00 178.15 177.92 2nqb h HIS 713 N 1.03 0.63 -0.27 1.37 2.76 -0.73 0.45 115.15 120.39 2nqb h HIS 713 Ca 0.33 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2nqb h HIS 713 Cb 0.03 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.78 2nqb h HIS 713 CO -0.00 0.40 0.00 0.00 -1.30 0.00 0.00 177.93 177.03 2nqb n ALA 714 N -2.46 2.60 -3.15 5.26 0.00 -0.51 -4.91 120.51 117.35 2nqb n ALA 714 Ca 0.04 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 2nqb n ALA 714 Cb 0.05 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.56 2nqb n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nqb n LYS 715 N 0.31 -5.14 -4.54 0.00 5.02 0.15 -5.04 118.16 108.92 2nqb n LYS 715 Ca 0.10 0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 56.77 2nqb n LYS 715 Cb 0.34 -5.01 -0.10 0.00 -0.02 0.00 0.00 35.03 30.23 2nqb n LYS 715 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nqb s ARG 716 N -5.78 1.82 0.00 1.97 0.52 -0.72 -5.00 118.95 111.76 2nqb s ARG 716 Ca 0.36 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.54 2nqb s ARG 716 Cb -0.16 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.11 2nqb s ARG 716 CO 0.45 -0.16 0.44 1.33 0.02 0.00 0.00 175.30 177.38 2nqb n VAL 717 N -0.85 0.17 -3.87 3.52 0.24 -1.26 -3.38 118.33 112.90 2nqb n VAL 717 Ca -0.05 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.34 61.51 2nqb n VAL 717 Cb 0.67 1.20 -0.13 0.00 -1.47 0.00 0.00 33.84 34.11 2nqb n VAL 717 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2nqb s THR 718 N -0.17 3.81 0.31 3.34 2.01 -1.26 -5.01 115.64 118.66 2nqb s THR 718 Ca 0.00 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.38 2nqb s THR 718 Cb 0.00 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.66 2nqb s THR 718 CO 0.00 0.39 0.98 0.27 -0.69 0.00 0.00 174.62 175.57 2nqb s ILE 719 N 1.47 3.99 0.19 1.82 -4.36 -1.26 -4.88 121.20 118.16 2nqb s ILE 719 Ca 0.05 1.77 0.06 0.00 -0.26 0.00 0.00 60.65 62.27 2nqb s ILE 719 Cb -0.15 -4.04 -0.05 0.00 1.25 0.00 0.00 42.46 39.48 2nqb s ILE 719 CO 0.00 0.25 -0.10 -0.04 0.24 0.00 0.00 174.94 175.30 2nqb s MET 720 N -1.79 1.22 0.32 0.37 -1.94 -1.26 -5.03 119.30 111.18 2nqb s MET 720 Ca 0.48 -1.55 0.09 0.00 -1.71 0.00 0.00 55.69 53.00 2nqb s MET 720 Cb -0.23 -0.82 0.89 0.00 2.01 0.00 0.00 34.83 36.68 2nqb s MET 720 CO 0.29 0.08 1.69 -1.35 -0.01 0.00 0.00 175.02 175.72 2nqb h PRO 721 N 2.63 0.39 0.00 2.03 0.11 -2.00 0.17 132.00 135.33 2nqb h PRO 721 Ca -0.37 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 2nqb h PRO 721 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2nqb h PRO 721 CO 0.63 0.26 -0.09 1.57 -0.21 0.00 0.00 178.00 180.16 2nqb h LYS 722 N 0.41 0.00 -0.20 1.05 2.10 -1.99 -1.37 116.57 116.57 2nqb h LYS 722 Ca 0.64 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 59.08 2nqb h LYS 722 Cb 1.32 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.65 2nqb h LYS 722 CO -0.55 0.09 -0.70 -0.44 -2.00 0.00 0.00 179.45 175.85 2nqb h ASP 723 N 0.00 0.93 -0.52 7.07 3.32 -1.01 -1.53 116.42 124.69 2nqb h ASP 723 Ca -0.00 -0.57 -0.09 0.00 0.02 0.00 0.00 57.03 56.38 2nqb h ASP 723 Cb 0.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2nqb h ASP 723 CO 0.01 1.37 -0.02 0.40 -1.72 0.00 0.00 179.24 179.29 2nqb h ILE 724 N 0.57 1.26 -0.48 0.35 2.04 -1.27 -1.70 117.51 118.28 2nqb h ILE 724 Ca -0.03 -1.13 -0.11 0.00 1.00 0.00 0.00 64.86 64.60 2nqb h ILE 724 Cb 1.32 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2nqb h ILE 724 CO 0.15 0.40 -0.12 1.56 0.00 0.00 0.00 178.15 180.14 2nqb h GLN 725 N 0.88 0.93 -0.39 2.37 4.20 -1.22 -0.40 115.11 121.50 2nqb h GLN 725 Ca 0.16 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 2nqb h GLN 725 Cb 0.54 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2nqb h GLN 725 CO 0.03 1.02 0.11 1.25 -0.67 0.00 0.00 178.83 180.56 2nqb h LEU 726 N 0.78 0.58 -0.37 1.46 5.85 -1.10 -0.97 115.31 121.54 2nqb h LEU 726 Ca 0.12 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2nqb h LEU 726 Cb 0.67 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2nqb h LEU 726 CO 0.05 0.65 0.16 0.00 -0.34 0.00 0.00 178.44 178.96 2nqb h ALA 727 N 0.95 0.48 -0.35 1.25 0.00 -1.16 -0.69 119.26 119.75 2nqb h ALA 727 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2nqb h ALA 727 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2nqb h ALA 727 CO -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 2nqb h ARG 728 N 0.46 0.55 -0.41 0.00 3.08 -0.96 -1.02 114.38 116.08 2nqb h ARG 728 Ca 0.13 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2nqb h ARG 728 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2nqb h ARG 728 CO -0.01 0.60 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.08 2nqb h ARG 729 N 0.52 0.93 -0.40 0.04 2.43 -0.74 0.11 114.38 117.27 2nqb h ARG 729 Ca 0.11 -0.46 -0.15 0.00 -0.81 0.00 0.00 59.98 58.67 2nqb h ARG 729 Cb 0.38 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2nqb h ARG 729 CO 0.02 1.12 -0.35 0.82 -1.51 0.00 0.00 179.97 180.06 2nqb h ILE 730 N 0.76 1.27 0.00 1.20 1.08 -0.82 -2.55 117.51 118.45 2nqb h ILE 730 Ca 0.08 -1.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.02 2nqb h ILE 730 Cb 0.90 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 2nqb h ILE 730 CO 0.08 0.51 0.00 0.03 -0.69 0.00 0.00 178.15 178.09 2nqb h ARG 731 N 0.78 0.00 0.00 2.37 3.08 -1.12 -3.46 114.38 116.04 2nqb h ARG 731 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2nqb h ARG 731 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2nqb h ARG 731 CO 0.09 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2nqb n GLY 732 N -0.80 0.73 0.41 0.04 0.00 -0.92 -4.93 105.19 99.72 2nqb n GLY 732 Ca -0.01 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2nqb n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nqb n GLU 733 N -2.47 1.55 -0.03 1.61 1.02 0.33 -4.15 120.64 118.50 2nqb n GLU 733 Ca 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 2nqb n GLU 733 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2nqb n GLU 733 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2nqb n ARG 734 N 0.04 0.00 0.00 3.49 1.85 -1.21 -4.91 116.66 115.92 2nqb n ARG 734 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 2nqb n ARG 734 Cb 0.27 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.68 2nqb n ARG 734 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62