#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfh n PRO 657 N 0.00 1.45 -2.68 1.61 -0.02 -1.26 -4.94 135.00 129.16 3hfh n PRO 657 Ca 0.00 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 3hfh n PRO 657 Cb 0.00 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3hfh n PRO 657 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3hfh s LEU 658 N 5.06 4.39 -0.45 2.45 2.34 -1.26 -4.95 118.68 126.26 3hfh s LEU 658 Ca 1.01 1.97 -0.01 0.00 0.06 0.00 0.00 54.13 57.15 3hfh s LEU 658 Cb -0.87 -3.92 0.31 0.00 -0.56 0.00 0.00 46.19 41.14 3hfh s LEU 658 CO 0.56 -0.13 2.02 0.61 -1.06 0.00 0.00 176.35 178.35 3hfh n GLY 659 N 0.78 4.76 2.96 -3.48 0.00 -1.26 -4.79 105.19 104.16 3hfh n GLY 659 Ca 0.01 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 3hfh n GLY 659 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hfh s SER 660 N -0.59 0.07 0.28 1.61 0.15 -1.26 -5.04 113.70 108.92 3hfh s SER 660 Ca 0.44 0.43 -0.00 0.00 0.70 0.00 0.00 55.95 57.52 3hfh s SER 660 Cb 0.34 0.36 0.49 0.00 -1.71 0.00 0.00 66.02 65.51 3hfh s SER 660 CO -0.00 -0.19 1.88 0.00 1.20 0.00 0.00 173.24 176.13 3hfh h ALA 661 N 7.61 1.48 -0.01 5.45 0.00 -2.04 -3.43 119.26 128.32 3hfh h ALA 661 Ca -0.32 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.17 3hfh h ALA 661 Cb 1.14 -0.27 0.10 0.00 0.00 0.00 0.00 17.79 18.76 3hfh h ALA 661 CO 0.31 0.35 1.07 0.54 0.00 0.00 0.00 179.25 181.51 3hfh n ARG 662 N -4.53 0.01 0.00 0.00 1.74 -1.26 -4.74 116.66 107.88 3hfh n ARG 662 Ca 0.16 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 3hfh n ARG 662 Cb 0.24 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 3hfh n ARG 662 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hfh n GLN 665 N 7.11 0.00 0.00 5.56 6.02 -1.26 -4.97 117.38 129.83 3hfh n GLN 665 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 3hfh n GLN 665 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 3hfh n GLN 665 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hfh n PHE 666 N 0.00 0.00 -0.92 1.08 7.35 -1.26 -4.65 117.46 119.06 3hfh n PHE 666 Ca 0.00 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 3hfh n PHE 666 Cb 0.00 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.76 3hfh n PHE 666 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3hfh n ASP 668 N 0.66 -0.22 0.00 -2.13 8.00 -1.26 -4.73 116.55 116.87 3hfh n ASP 668 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3hfh n ASP 668 Cb 0.05 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3hfh n ASP 668 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hfh n LEU 670 N -0.59 0.00 0.08 0.64 4.77 -1.26 -1.36 117.00 119.27 3hfh n LEU 670 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3hfh n LEU 670 Cb 0.11 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 3hfh n LEU 670 CO 0.00 0.00 -0.02 0.25 -1.33 0.00 0.00 177.39 176.29 3hfh h LEU 671 N 0.00 0.65 -1.49 2.23 5.85 -1.89 -1.06 115.31 119.61 3hfh h LEU 671 Ca 0.00 -0.89 -0.04 0.00 0.84 0.00 0.00 57.88 57.79 3hfh h LEU 671 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3hfh h LEU 671 CO 0.00 1.49 -0.19 -0.33 -0.34 0.00 0.00 178.44 179.07 3hfh h GLU 672 N -0.08 0.00 -0.15 1.25 5.08 -1.62 -2.24 114.58 116.82 3hfh h GLU 672 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hfh h GLU 672 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3hfh h GLU 672 CO 0.20 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.93 3hfh n ARG 673 N -3.52 2.01 -2.48 2.33 5.12 -1.24 -4.96 116.66 113.91 3hfh n ARG 673 Ca -0.01 -1.50 -0.12 0.00 -1.93 0.00 0.00 57.85 54.29 3hfh n ARG 673 Cb 0.34 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 3hfh n ARG 673 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hfh n GLY 674 N 1.27 -0.04 3.75 -0.13 0.00 -0.84 -4.96 105.19 104.23 3hfh n GLY 674 Ca 0.17 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3hfh n GLY 674 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfh s VAL 675 N -2.76 2.26 0.13 1.61 1.01 -0.41 -4.96 120.40 117.28 3hfh s VAL 675 Ca 0.10 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 3hfh s VAL 675 Cb -0.04 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 3hfh s VAL 675 CO 0.12 0.04 0.65 -0.55 0.00 0.00 0.00 175.10 175.36 3hfh s SER 676 N 0.44 7.13 0.00 3.32 0.15 -1.26 -4.87 113.70 118.61 3hfh s SER 676 Ca 0.62 1.38 0.16 0.00 0.70 0.00 0.00 55.95 58.81 3hfh s SER 676 Cb -0.46 -2.40 0.55 0.00 -1.71 0.00 0.00 66.02 62.00 3hfh s SER 676 CO 0.47 0.19 1.41 0.00 1.20 0.00 0.00 173.24 176.51 3hfh n ALA 677 N 1.40 2.48 -2.38 5.45 0.00 -1.26 -3.98 120.51 122.23 3hfh n ALA 677 Ca -0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 3hfh n ALA 677 Cb 0.50 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.96 3hfh n ALA 677 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hfh n PHE 678 N 0.46 1.91 -3.20 0.00 3.72 -1.26 -4.67 117.46 114.41 3hfh n PHE 678 Ca 0.14 -2.10 -0.02 0.00 -0.05 0.00 0.00 57.45 55.42 3hfh n PHE 678 Cb 0.32 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3hfh n PHE 678 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hfh n SER 679 N -0.64 -0.45 -4.52 4.37 2.88 -1.26 -5.18 113.62 108.82 3hfh n SER 679 Ca 0.26 -1.33 -0.28 0.00 -1.33 0.00 0.00 58.87 56.19 3hfh n SER 679 Cb 0.89 0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 65.00 3hfh n SER 679 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3hfh s THR 680 N -2.79 2.98 0.09 2.46 2.01 -1.26 -4.98 115.64 114.15 3hfh s THR 680 Ca 0.03 -1.62 -0.29 0.00 0.31 0.00 0.00 61.69 60.12 3hfh s THR 680 Cb -0.01 -2.43 -0.15 0.00 0.01 0.00 0.00 72.50 69.92 3hfh s THR 680 CO 0.03 -0.02 1.66 -0.25 -0.69 0.00 0.00 174.62 175.34 3hfh h TRP 681 N 3.28 -0.61 0.00 4.92 2.91 -2.02 -2.06 115.95 122.37 3hfh h TRP 681 Ca -0.48 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.54 3hfh h TRP 681 Cb 1.19 0.22 0.00 0.00 -0.51 0.00 0.00 29.16 30.06 3hfh h TRP 681 CO 0.63 -0.36 0.00 0.39 -1.03 0.00 0.00 178.44 178.07 3hfh n GLU 682 N -5.36 0.00 0.00 2.65 -0.58 -1.26 -1.71 120.64 114.37 3hfh n GLU 682 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3hfh n GLU 682 Cb 0.27 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3hfh n GLU 682 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hfh n GLU 684 N 0.84 0.00 -0.31 3.49 -0.58 -0.77 -4.66 120.64 118.65 3hfh n GLU 684 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 3hfh n GLU 684 Cb 0.00 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.07 3hfh n GLU 684 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3hfh h LEU 685 N 0.00 0.70 -4.82 -4.62 5.85 -1.59 -3.33 115.31 107.50 3hfh h LEU 685 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hfh h LEU 685 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3hfh h LEU 685 CO 0.00 0.37 0.36 0.00 -0.34 0.00 0.00 178.44 178.83 3hfh n HIS 686 N -4.75 0.00 0.00 1.25 1.44 -1.26 -2.08 115.22 109.82 3hfh n HIS 686 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 3hfh n HIS 686 Cb 0.33 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.09 3hfh n HIS 686 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 3hfh n ILE 688 N 2.70 0.00 -0.03 0.61 -5.35 -1.25 -4.75 119.36 111.28 3hfh n ILE 688 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 3hfh n ILE 688 Cb 0.00 0.00 0.37 0.00 -1.74 0.00 0.00 39.64 38.27 3hfh n ILE 688 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 3hfh h VAL 689 N 0.00 1.14 0.00 7.28 3.04 -1.76 0.13 116.25 126.09 3hfh h VAL 689 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3hfh h VAL 689 Cb 0.00 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 3hfh h VAL 689 CO 0.00 0.16 0.00 2.22 -1.01 0.00 0.00 177.57 178.94 3hfh n PHE 690 N -4.42 0.85 -2.68 3.17 1.16 -1.26 -4.81 117.46 109.47 3hfh n PHE 690 Ca 0.03 0.28 -0.42 0.00 -1.87 0.00 0.00 57.45 55.48 3hfh n PHE 690 Cb 0.10 -0.96 -0.03 0.00 -1.61 0.00 0.00 39.48 36.98 3hfh n PHE 690 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3hfh s ASP 691 N -4.35 7.30 0.38 5.98 3.68 0.47 -4.92 116.67 125.20 3hfh s ASP 691 Ca 0.08 1.63 0.17 0.00 2.13 0.00 0.00 52.55 56.55 3hfh s ASP 691 Cb 0.11 -2.56 1.07 0.00 -1.45 0.00 0.00 42.92 40.09 3hfh s ASP 691 CO 0.50 -0.36 1.74 -0.65 0.13 0.00 0.00 175.17 176.53 3hfh h PRO 692 N 6.95 0.40 0.00 4.34 0.11 -1.87 0.18 132.00 142.11 3hfh h PRO 692 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3hfh h PRO 692 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hfh h PRO 692 CO 0.80 0.27 -0.03 0.00 -0.21 0.00 0.00 178.00 178.83 3hfh h ARG 693 N 0.41 0.00 -0.72 1.05 3.08 -1.91 -0.78 114.38 115.51 3hfh h ARG 693 Ca 0.64 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.90 3hfh h ARG 693 Cb 1.53 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.55 3hfh h ARG 693 CO -0.37 0.03 0.52 -0.92 -1.07 0.00 0.00 179.97 178.16 3hfh h TYR 694 N 0.00 0.00 -0.00 3.04 5.03 -0.88 -1.61 116.97 122.55 3hfh h TYR 694 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3hfh h TYR 694 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.61 3hfh h TYR 694 CO 0.00 0.00 -0.05 1.28 -1.32 0.00 0.00 178.16 178.07 3hfh n LEU 695 N -4.31 0.38 -0.12 2.82 4.77 -0.30 -3.87 117.00 116.38 3hfh n LEU 695 Ca 0.14 -0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3hfh n LEU 695 Cb 0.80 -0.13 0.58 0.00 -2.33 0.00 0.00 43.42 42.34 3hfh n LEU 695 CO 0.38 0.07 0.84 0.18 -1.33 0.00 0.00 177.39 177.53 3hfh n LEU 696 N -0.90 0.49 -4.06 2.23 4.77 -0.61 -4.86 117.00 114.07 3hfh n LEU 696 Ca 0.17 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3hfh n LEU 696 Cb 0.24 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3hfh n LEU 696 CO 0.21 0.09 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.20 3hfh s LEU 697 N -2.52 2.25 0.77 2.23 1.43 -1.25 -4.95 118.68 116.64 3hfh s LEU 697 Ca 0.27 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 3hfh s LEU 697 Cb 0.20 -0.16 0.06 0.00 0.03 0.00 0.00 46.19 46.33 3hfh s LEU 697 CO 0.49 -0.20 1.14 0.54 0.23 0.00 0.00 176.35 178.54 3hfh s ASN 698 N -1.56 4.74 0.00 2.29 6.03 -1.26 -4.78 114.94 120.40 3hfh s ASN 698 Ca -0.10 0.80 0.00 0.00 -1.03 0.00 0.00 52.86 52.53 3hfh s ASN 698 Cb -0.10 -1.38 0.00 0.00 -3.03 0.00 0.00 41.25 36.74 3hfh s ASN 698 CO 0.00 -1.75 0.00 -2.65 -2.03 0.00 0.00 177.10 170.68 3hfh n PRO 699 N -3.20 0.00 0.00 3.55 -0.02 -1.26 -1.09 135.00 132.98 3hfh n PRO 699 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3hfh n PRO 699 Cb 0.60 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 3hfh n PRO 699 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hfh n GLU 701 N 0.48 0.00 0.00 -0.52 1.02 -1.26 -4.67 120.64 115.70 3hfh n GLU 701 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hfh n GLU 701 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3hfh n GLU 701 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hfh n ARG 702 N 0.00 0.00 0.00 3.49 1.74 -0.25 -1.40 116.66 120.24 3hfh n ARG 702 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hfh n ARG 702 Cb 0.00 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3hfh n ARG 702 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hfh n GLN 704 N 0.20 0.00 -0.10 5.56 6.02 -1.26 -1.20 117.38 126.59 3hfh n GLN 704 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3hfh n GLN 704 Cb 0.00 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.31 3hfh n GLN 704 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3hfh h VAL 705 N 0.00 1.27 0.42 5.09 2.07 -1.64 -1.56 116.25 121.90 3hfh h VAL 705 Ca 0.00 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 3hfh h VAL 705 Cb 0.00 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hfh h VAL 705 CO 0.00 0.47 -0.39 0.15 0.02 0.00 0.00 177.57 177.83 3hfh h PHE 706 N 0.71 -1.05 -0.82 1.57 3.57 -1.39 -1.58 116.94 117.95 3hfh h PHE 706 Ca 0.09 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.74 3hfh h PHE 706 Cb 0.81 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 39.86 3hfh h PHE 706 CO 0.05 -0.54 0.41 -0.44 -2.23 0.00 0.00 178.31 175.55 3hfh h ASP 707 N -0.82 0.47 0.06 0.41 3.45 -1.74 0.82 116.42 119.08 3hfh h ASP 707 Ca -0.04 0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.42 3hfh h ASP 707 Cb 0.72 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.50 3hfh h ASP 707 CO -0.05 0.20 -0.31 -0.61 -1.57 0.00 0.00 179.24 176.90 3hfh h GLN 708 N 0.58 0.37 -0.18 3.56 4.15 -1.20 -3.01 115.11 119.38 3hfh h GLN 708 Ca 0.45 -0.15 -0.21 0.00 0.77 0.00 0.00 58.65 59.51 3hfh h GLN 708 Cb 0.64 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.32 3hfh h GLN 708 CO -0.37 0.64 -0.70 -0.92 -1.93 0.00 0.00 178.83 175.56 3hfh h TYR 709 N 0.32 1.05 0.00 3.99 5.03 -0.04 -1.89 116.97 125.43 3hfh h TYR 709 Ca 0.04 -0.44 0.00 0.00 2.58 0.00 0.00 58.73 60.91 3hfh h TYR 709 Cb 0.71 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.82 3hfh h TYR 709 CO 0.02 1.27 0.00 0.28 -1.32 0.00 0.00 178.16 178.41 3hfh n VAL 710 N -3.99 0.09 0.00 1.81 0.31 0.11 -0.99 118.33 115.67 3hfh n VAL 710 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3hfh n VAL 710 Cb 0.70 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 3hfh n VAL 710 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hfh n THR 712 N 0.44 0.00 -0.11 2.52 -1.04 -0.71 -1.25 114.28 114.14 3hfh n THR 712 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3hfh n THR 712 Cb 0.11 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.77 3hfh n THR 712 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3hfh h ARG 713 N 0.00 0.80 -0.26 -2.82 2.47 -1.31 -1.32 114.38 111.94 3hfh h ARG 713 Ca 0.00 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 3hfh h ARG 713 Cb 0.00 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3hfh h ARG 713 CO 0.00 0.82 0.05 0.00 0.56 0.00 0.00 179.97 181.40 3hfh h ALA 714 N 1.23 0.35 -0.70 0.04 0.00 -1.40 -2.04 119.26 116.73 3hfh h ALA 714 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hfh h ALA 714 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hfh h ALA 714 CO 0.03 0.02 0.28 1.49 0.00 0.00 0.00 179.25 181.06 3hfh h GLU 715 N 0.25 1.05 0.00 0.00 4.22 -1.73 -1.47 114.58 116.90 3hfh h GLU 715 Ca 0.08 -0.19 -0.05 0.00 0.08 0.00 0.00 59.36 59.28 3hfh h GLU 715 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hfh h GLU 715 CO 0.00 0.87 -0.25 0.93 -2.18 0.00 0.00 179.01 178.38 3hfh h GLU 716 N 1.01 0.00 0.01 1.92 5.08 -1.20 -1.49 114.58 119.91 3hfh h GLU 716 Ca 0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hfh h GLU 716 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hfh h GLU 716 CO -0.02 0.25 -0.01 1.49 -1.00 0.00 0.00 179.01 179.73 3hfh h GLU 717 N 0.00 -0.01 -0.33 2.33 4.81 -0.63 -0.90 114.58 119.85 3hfh h GLU 717 Ca -0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3hfh h GLU 717 Cb 0.72 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 3hfh h GLU 717 CO 0.03 0.77 0.17 0.00 -0.73 0.00 0.00 179.01 179.25 3hfh h ARG 718 N -0.84 0.34 -0.34 1.92 3.08 -1.26 -2.25 114.38 115.03 3hfh h ARG 718 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3hfh h ARG 718 Cb 0.79 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3hfh h ARG 718 CO 0.00 0.23 0.03 -0.09 -1.07 0.00 0.00 179.97 179.07 3hfh h ARG 719 N 0.35 0.52 -4.34 0.04 2.43 -1.34 -3.41 114.38 108.63 3hfh h ARG 719 Ca 0.13 -0.10 -0.61 0.00 -0.81 0.00 0.00 59.98 58.60 3hfh h ARG 719 Cb 0.04 -0.08 0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3hfh h ARG 719 CO -0.08 0.52 2.30 0.39 -1.51 0.00 0.00 179.97 181.59 3hfh n GLU 720 N -4.30 1.52 -2.03 0.20 1.02 -0.34 -5.06 120.64 111.65 3hfh n GLU 720 Ca 0.02 -1.75 -0.00 0.00 -0.02 0.00 0.00 57.16 55.40 3hfh n GLU 720 Cb 0.22 -2.83 -0.00 0.00 -0.02 0.00 0.00 31.44 28.81 3hfh n GLU 720 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hfh n ASN 723 N 7.04 -1.07 -0.43 1.62 4.13 -1.26 -5.09 115.26 120.20 3hfh n ASN 723 Ca 0.48 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.74 3hfh n ASN 723 Cb 0.36 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 3hfh n ASN 723 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hfh n ILE 725 N -3.91 0.00 0.00 2.41 5.41 -1.26 -4.51 119.36 117.50 3hfh n ILE 725 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3hfh n ILE 725 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 3hfh n ILE 725 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3hfh n GLN 727 N -0.15 0.00 0.00 0.38 -0.06 -1.26 -4.65 117.38 111.64 3hfh n GLN 727 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3hfh n GLN 727 Cb 0.02 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.20 3hfh n GLN 727 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hfh n ALA 728 N 0.00 2.08 0.00 1.69 0.00 -1.26 -1.06 120.51 121.96 3hfh n ALA 728 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hfh n ALA 728 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hfh n ALA 728 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hfh n GLU 730 N 0.55 0.00 0.03 0.00 -0.58 -1.26 -2.19 120.64 117.19 3hfh n GLU 730 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3hfh n GLU 730 Cb 0.27 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.08 3hfh n GLU 730 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3hfh h ASP 731 N 0.00 0.03 -0.52 1.62 3.32 -1.50 -3.51 116.42 115.87 3hfh h ASP 731 Ca 0.00 -0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.75 3hfh h ASP 731 Cb 0.00 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3hfh h ASP 731 CO 0.00 0.05 1.16 0.33 -1.72 0.00 0.00 179.24 179.06 3hfh n PHE 732 N -5.06 0.86 0.00 4.55 7.35 -0.93 -4.98 117.46 119.26 3hfh n PHE 732 Ca -0.07 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 3hfh n PHE 732 Cb 0.04 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 37.78 3hfh n PHE 732 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3hfh n GLU 737 N 8.04 0.00 0.09 -4.13 1.02 -1.26 -5.02 120.64 119.37 3hfh n GLU 737 Ca 0.52 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.78 3hfh n GLU 737 Cb 0.33 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.82 3hfh n GLU 737 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3hfh h GLU 738 N 0.00 0.00 0.00 3.49 5.08 -2.04 -3.50 114.58 117.61 3hfh h GLU 738 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hfh h GLU 738 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hfh h GLU 738 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3hfh n ALA 739 N -2.02 0.00 -1.41 3.43 0.00 -1.26 -5.28 120.51 113.97 3hfh n ALA 739 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hfh n ALA 739 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3hfh n ALA 739 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hfh n PHE 741 N 0.00 0.00 -2.44 0.00 -0.00 -1.26 -5.19 117.46 108.57 3hfh n PHE 741 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 3hfh n PHE 741 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.50 3hfh n PHE 741 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3hfh n ASN 742 N -0.40 -2.31 -0.31 -2.13 5.15 -1.26 -4.91 115.26 109.09 3hfh n ASN 742 Ca 0.00 -0.12 0.31 0.00 -0.60 0.00 0.00 54.58 54.16 3hfh n ASN 742 Cb 0.00 -1.46 0.56 0.00 -0.53 0.00 0.00 39.78 38.35 3hfh n ASN 742 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3hfh n PRO 743 N -1.58 -0.06 -0.26 1.20 -0.02 -1.26 0.84 135.00 133.86 3hfh n PRO 743 Ca -0.04 1.31 0.07 0.00 -2.02 0.00 0.00 63.50 62.82 3hfh n PRO 743 Cb 0.53 -2.36 0.15 0.00 -0.02 0.00 0.00 33.50 31.79 3hfh n PRO 743 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hfh n ARG 744 N -5.14 -0.06 -1.28 -0.52 3.00 -1.26 -4.83 116.66 106.57 3hfh n ARG 744 Ca 0.36 1.13 -0.36 0.00 -0.01 0.00 0.00 57.85 58.97 3hfh n ARG 744 Cb 1.23 -1.73 0.06 0.00 0.00 0.00 0.00 32.46 32.03 3hfh n ARG 744 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hfh n ALA 745 N -3.56 -1.60 -2.70 7.54 0.00 0.25 -5.02 120.51 115.42 3hfh n ALA 745 Ca 0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 3hfh n ALA 745 Cb 0.45 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 3hfh n ALA 745 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hfh s THR 746 N -1.89 5.17 0.21 0.00 -1.32 -1.26 -4.97 115.64 111.57 3hfh s THR 746 Ca 0.65 -0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 60.88 3hfh s THR 746 Cb -0.36 -3.70 0.16 0.00 -1.51 0.00 0.00 72.50 67.09 3hfh s THR 746 CO 0.58 -0.12 1.79 0.15 -2.21 0.00 0.00 174.62 174.81 3hfh h PHE 747 N 2.23 1.16 0.00 9.09 3.57 -1.99 -0.88 116.94 130.12 3hfh h PHE 747 Ca -0.47 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 60.91 3hfh h PHE 747 Cb 1.18 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3hfh h PHE 747 CO 0.58 0.86 -0.21 0.66 -2.23 0.00 0.00 178.31 177.96 3hfh h SER 748 N 1.13 0.00 -0.10 0.41 4.64 -1.98 0.33 113.55 117.98 3hfh h SER 748 Ca 0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 3hfh h SER 748 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3hfh h SER 748 CO -0.03 0.21 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.68 3hfh h GLU 749 N 0.00 0.27 -0.53 4.77 5.08 -1.78 -1.59 114.58 120.80 3hfh h GLU 749 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3hfh h GLU 749 Cb 0.39 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3hfh h GLU 749 CO 0.03 0.71 0.35 0.35 -1.00 0.00 0.00 179.01 179.45 3hfh h PHE 750 N -0.16 0.67 -0.39 4.33 3.57 -0.84 -1.86 116.94 122.26 3hfh h PHE 750 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hfh h PHE 750 Cb 0.68 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3hfh h PHE 750 CO 0.10 0.42 0.24 0.00 -2.23 0.00 0.00 178.31 176.84 3hfh h ALA 751 N 1.19 1.71 0.00 2.41 0.00 -0.37 -2.41 119.26 121.78 3hfh h ALA 751 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hfh h ALA 751 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hfh h ALA 751 CO -0.04 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3hfh n ALA 752 N -2.48 2.00 0.00 0.00 0.00 -0.60 -1.68 120.51 117.76 3hfh n ALA 752 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hfh n ALA 752 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3hfh n ALA 752 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hfh n HIS 754 N 0.54 0.00 0.47 0.00 -0.00 -0.91 -5.10 115.22 110.22 3hfh n HIS 754 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3hfh n HIS 754 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 3hfh n HIS 754 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hfh n ALA 755 N 0.00 1.88 -1.48 -1.41 0.00 -0.68 -4.68 120.51 114.15 3hfh n ALA 755 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hfh n ALA 755 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hfh n ALA 755 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hfh n ASP 757 N 0.58 -4.47 0.14 0.00 -0.08 -1.26 -5.03 116.55 106.42 3hfh n ASP 757 Ca 0.00 0.84 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 3hfh n ASP 757 Cb 0.19 -3.31 0.15 0.00 2.34 0.00 0.00 41.12 40.50 3hfh n ASP 757 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hfh h SER 758 N 1.80 0.00 0.48 1.67 4.64 -2.04 -2.45 113.55 117.65 3hfh h SER 758 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hfh h SER 758 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hfh h SER 758 CO 0.00 0.60 -0.17 0.03 -0.87 0.00 0.00 176.83 176.42 3hfh h ARG 759 N 0.00 0.00 -0.89 4.77 -0.00 -1.94 0.45 114.38 116.77 3hfh h ARG 759 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 3hfh h ARG 759 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 3hfh h ARG 759 CO 0.08 0.17 0.00 0.34 0.00 0.00 0.00 179.97 180.56 3hfh n PHE 760 N -3.64 0.00 0.00 3.04 -0.00 -0.92 -4.06 117.46 111.88 3hfh n PHE 760 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3hfh n PHE 760 Cb 0.30 -0.10 0.00 0.00 -0.00 0.00 0.00 39.48 39.68 3hfh n PHE 760 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hfh n ALA 762 N 0.09 0.00 -2.58 3.13 0.00 0.16 -4.82 120.51 116.48 3hfh n ALA 762 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3hfh n ALA 762 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 3hfh n ALA 762 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hfh s ILE 763 N 0.00 4.49 0.53 0.00 -1.09 -1.26 -5.13 121.20 118.74 3hfh s ILE 763 Ca 0.00 1.76 0.21 0.00 -2.23 0.00 0.00 60.65 60.39 3hfh s ILE 763 Cb 0.00 -4.28 0.33 0.00 -1.58 0.00 0.00 42.46 36.93 3hfh s ILE 763 CO 0.00 -0.31 2.08 -0.08 -1.23 0.00 0.00 174.94 175.40 3hfh h GLU 764 N 8.02 0.00 0.00 2.79 4.81 -1.98 -3.45 114.58 124.76 3hfh h GLU 764 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3hfh h GLU 764 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3hfh h GLU 764 CO 1.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 179.03 3hfh n ASP 768 N -4.41 0.00 -0.01 1.04 8.00 -1.26 -5.22 116.55 114.69 3hfh n ASP 768 Ca 0.03 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.42 3hfh n ASP 768 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 3hfh n ASP 768 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3hfh h ARG 769 N 0.00 0.17 -0.76 -1.24 3.08 -1.94 -1.13 114.38 112.55 3hfh h ARG 769 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3hfh h ARG 769 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3hfh h ARG 769 CO 0.00 0.13 0.30 1.49 -1.07 0.00 0.00 179.97 180.82 3hfh h GLU 770 N 0.15 1.14 -0.11 0.04 4.81 -1.99 0.64 114.58 119.27 3hfh h GLU 770 Ca 0.05 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3hfh h GLU 770 Cb 0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 3hfh h GLU 770 CO -0.01 0.93 0.04 0.00 -0.73 0.00 0.00 179.01 179.24 3hfh h ALA 771 N 1.21 0.14 -0.12 2.92 0.00 -1.94 0.55 119.26 122.01 3hfh h ALA 771 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hfh h ALA 771 Cb 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hfh h ALA 771 CO -0.02 -0.28 -0.14 -0.07 0.00 0.00 0.00 179.25 178.74 3hfh h LEU 772 N 0.01 -0.44 -0.22 0.00 4.07 -1.04 -0.12 115.31 117.57 3hfh h LEU 772 Ca 0.04 0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.14 3hfh h LEU 772 Cb 0.17 0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.05 3hfh h LEU 772 CO -0.00 -0.19 -0.25 0.15 -1.08 0.00 0.00 178.44 177.07 3hfh h PHE 773 N -0.18 -0.67 -0.62 1.13 3.57 -0.61 -1.05 116.94 118.50 3hfh h PHE 773 Ca 0.09 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3hfh h PHE 773 Cb 0.31 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 3hfh h PHE 773 CO -0.25 -0.33 0.34 -0.91 -2.23 0.00 0.00 178.31 174.92 3hfh h ASN 774 N -0.27 0.49 0.09 0.41 2.35 0.30 -2.55 115.58 116.39 3hfh h ASN 774 Ca 0.13 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 3hfh h ASN 774 Cb 0.47 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3hfh h ASN 774 CO -0.38 0.32 -0.66 -0.08 -1.65 0.00 0.00 177.43 174.98 3hfh h GLU 775 N 0.63 0.54 -0.26 0.81 4.81 -0.75 -2.00 114.58 118.35 3hfh h GLU 775 Ca 0.28 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3hfh h GLU 775 Cb 0.18 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3hfh h GLU 775 CO -0.18 1.02 -0.26 0.74 -0.73 0.00 0.00 179.01 179.60 3hfh h PHE 776 N 0.39 0.76 0.11 0.92 0.04 -1.09 0.09 116.94 118.16 3hfh h PHE 776 Ca -0.02 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 60.54 3hfh h PHE 776 Cb 1.23 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 3hfh h PHE 776 CO 0.05 0.95 -0.29 0.28 -0.60 0.00 0.00 178.31 178.70 3hfh h VAL 777 N 0.36 0.36 -0.24 -0.55 2.07 -1.49 0.15 116.25 116.91 3hfh h VAL 777 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3hfh h VAL 777 Cb 0.82 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3hfh h VAL 777 CO 0.06 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.83 3hfh h ALA 778 N 0.19 2.15 0.00 1.67 0.00 -1.15 0.37 119.26 122.49 3hfh h ALA 778 Ca 0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3hfh h ALA 778 Cb 0.54 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3hfh h ALA 778 CO -0.18 -0.21 -0.99 0.00 0.00 0.00 0.00 179.25 177.87 3hfh h ALA 779 N 1.87 0.57 0.01 0.00 0.00 -0.58 -3.33 119.26 117.79 3hfh h ALA 779 Ca 0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 3hfh h ALA 779 Cb 0.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hfh h ALA 779 CO -0.01 1.02 -0.20 0.00 0.00 0.00 0.00 179.25 180.06 3hfh h ALA 780 N 1.24 0.02 -0.03 0.00 0.00 0.12 -3.43 119.26 117.19 3hfh h ALA 780 Ca -0.07 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 54.11 3hfh h ALA 780 Cb 1.64 0.01 0.07 0.00 0.00 0.00 0.00 17.79 19.51 3hfh h ALA 780 CO 0.09 0.05 0.76 0.54 0.00 0.00 0.00 179.25 180.69 3hfh n ARG 781 N -4.54 0.03 -1.02 0.00 1.74 0.11 -5.02 116.66 107.96 3hfh n ARG 781 Ca -0.10 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.93 3hfh n ARG 781 Cb 0.49 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 3hfh n ARG 781 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hfh n GLU 784 N 7.25 0.00 0.00 5.56 1.02 -1.26 -5.02 120.64 128.18 3hfh n GLU 784 Ca 0.36 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3hfh n GLU 784 Cb 0.43 -3.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.21 3hfh n GLU 784 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hfh n GLU 786 N -2.72 0.00 -0.02 3.49 1.02 -1.26 -0.20 120.64 120.96 3hfh n GLU 786 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3hfh n GLU 786 Cb 0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.33 3hfh n GLU 786 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hfh h ASP 787 N 0.00 0.28 0.00 1.62 5.19 -1.98 -3.26 116.42 118.27 3hfh h ASP 787 Ca 0.00 -0.83 -0.01 0.00 -0.62 0.00 0.00 57.03 55.57 3hfh h ASP 787 Cb 0.00 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 3hfh h ASP 787 CO 0.00 1.50 -0.02 -1.54 -3.12 0.00 0.00 179.24 176.06 3hfh n SER 788 N -4.11 4.08 0.00 6.45 3.41 0.73 -1.83 113.62 122.34 3hfh n SER 788 Ca -0.23 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 3hfh n SER 788 Cb 0.80 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3hfh n SER 788 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hfh n THR 790 N 1.71 0.00 0.02 6.66 -2.24 -1.23 -2.71 114.28 116.48 3hfh n THR 790 Ca 0.03 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 3hfh n THR 790 Cb 0.41 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 3hfh n THR 790 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3hfh h ARG 791 N 0.00 0.69 0.14 -0.78 3.08 -1.68 -3.32 114.38 112.51 3hfh h ARG 791 Ca 0.00 -0.68 0.01 0.00 0.07 0.00 0.00 59.98 59.38 3hfh h ARG 791 Cb 0.00 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3hfh h ARG 791 CO 0.00 1.27 -0.24 0.78 -1.07 0.00 0.00 179.97 180.71 3hfh h GLY 792 N 0.36 -0.46 -1.90 0.04 0.00 -1.78 0.50 103.07 99.84 3hfh h GLY 792 Ca -0.10 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3hfh h GLY 792 CO 0.18 -0.21 0.00 1.18 0.00 0.00 0.00 176.54 177.69 3hfh n GLU 793 N -5.36 0.04 -0.11 4.80 1.02 -1.25 -4.52 120.64 115.26 3hfh n GLU 793 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3hfh n GLU 793 Cb 0.27 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3hfh n GLU 793 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hfh n ILE 795 N 0.93 0.00 0.00 -3.67 2.08 0.17 -4.59 119.36 114.29 3hfh n ILE 795 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3hfh n ILE 795 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 3hfh n ILE 795 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3hfh n SER 797 N 0.68 0.00 -0.26 4.38 2.88 -1.26 -1.33 113.62 118.72 3hfh n SER 797 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3hfh n SER 797 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 3hfh n SER 797 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3hfh h ASP 798 N 0.00 0.83 -0.22 -3.46 3.32 -1.95 -1.56 116.42 113.39 3hfh h ASP 798 Ca 0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hfh h ASP 798 Cb 0.00 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3hfh h ASP 798 CO 0.00 0.60 0.12 0.15 -1.72 0.00 0.00 179.24 178.39 3hfh h PHE 799 N 0.98 0.29 0.07 4.55 3.57 -1.41 0.09 116.94 125.07 3hfh h PHE 799 Ca 0.26 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3hfh h PHE 799 Cb -0.11 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3hfh h PHE 799 CO -0.02 0.24 -0.16 0.74 -2.23 0.00 0.00 178.31 176.88 3hfh h PHE 800 N 0.25 -0.41 -0.79 0.41 0.04 -1.80 -0.97 116.94 113.67 3hfh h PHE 800 Ca 0.08 0.01 0.18 0.00 2.80 0.00 0.00 57.97 61.04 3hfh h PHE 800 Cb 0.04 0.17 -0.14 0.00 2.20 0.00 0.00 35.95 38.23 3hfh h PHE 800 CO -0.04 -0.23 0.02 1.49 -0.60 0.00 0.00 178.31 178.94 3hfh h GLU 801 N -0.30 0.10 -0.01 1.51 4.81 -0.68 0.39 114.58 120.40 3hfh h GLU 801 Ca 0.03 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3hfh h GLU 801 Cb 0.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3hfh h GLU 801 CO -0.10 0.07 -0.10 1.25 -0.73 0.00 0.00 179.01 179.39 3hfh h LEU 802 N 0.10 -0.30 -0.76 1.64 5.85 -0.32 -2.23 115.31 119.30 3hfh h LEU 802 Ca 0.44 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.24 3hfh h LEU 802 Cb 0.79 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3hfh h LEU 802 CO -0.69 -0.15 0.48 -0.07 -0.34 0.00 0.00 178.44 177.67 3hfh h LEU 803 N -0.17 0.78 -1.37 2.25 3.38 0.46 -2.04 115.31 118.60 3hfh h LEU 803 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hfh h LEU 803 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hfh h LEU 803 CO -0.11 0.53 0.52 0.77 0.09 0.00 0.00 178.44 180.25 3hfh h SER 804 N 0.92 0.00 1.11 -0.43 4.64 0.30 0.59 113.55 120.68 3hfh h SER 804 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3hfh h SER 804 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3hfh h SER 804 CO -0.12 0.00 -0.17 0.59 -0.87 0.00 0.00 176.83 176.26 3hfh n ASN 805 N -2.73 0.51 -4.63 4.97 5.03 -0.76 -4.81 115.26 112.84 3hfh n ASN 805 Ca -0.01 0.38 -0.31 0.00 0.87 0.00 0.00 54.58 55.51 3hfh n ASN 805 Cb 0.56 -0.42 -0.09 0.00 -1.02 0.00 0.00 39.78 38.80 3hfh n ASN 805 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3hfh s HIS 806 N -3.07 2.88 -1.10 3.10 3.76 0.20 -5.03 115.29 116.03 3hfh s HIS 806 Ca 0.11 -0.07 -0.21 0.00 -0.15 0.00 0.00 55.06 54.74 3hfh s HIS 806 Cb 0.15 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.38 3hfh s HIS 806 CO 0.61 0.43 1.52 -1.01 -0.85 0.00 0.00 174.74 175.44 3hfh s HIS 807 N -1.18 2.64 -0.01 1.40 3.76 -1.26 -4.95 115.29 115.69 3hfh s HIS 807 Ca 0.22 -1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 54.00 3hfh s HIS 807 Cb -0.11 -4.69 -0.04 0.00 1.11 0.00 0.00 32.58 28.84 3hfh s HIS 807 CO 0.14 -1.88 0.10 -0.51 -0.85 0.00 0.00 174.74 171.74 3hfh s LEU 808 N 4.61 4.01 0.00 0.89 1.43 -1.26 -4.99 118.68 123.38 3hfh s LEU 808 Ca 0.48 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3hfh s LEU 808 Cb 0.01 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3hfh s LEU 808 CO -0.05 0.28 0.00 -0.90 0.23 0.00 0.00 176.35 175.92 3hfh n ASP 809 N 1.21 0.00 0.14 2.29 3.85 -1.26 -5.04 116.55 117.74 3hfh n ASP 809 Ca -0.13 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 53.96 3hfh n ASP 809 Cb 0.53 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.40 3hfh n ASP 809 CO 0.00 0.00 0.00 -1.28 -1.01 0.00 0.00 177.20 174.91 3hfh h SER 810 N 0.00 0.00 0.09 -1.12 0.87 -1.98 -3.31 113.55 108.10 3hfh h SER 810 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hfh h SER 810 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3hfh h SER 810 CO 0.00 0.56 -0.05 1.56 -0.53 0.00 0.00 176.83 178.37 3hfh h GLN 811 N 0.00 -0.13 -2.12 2.24 7.50 -1.96 -3.47 115.11 117.17 3hfh h GLN 811 Ca -0.01 0.01 -0.23 0.00 0.50 0.00 0.00 58.65 58.92 3hfh h GLN 811 Cb 1.29 0.03 0.04 0.00 0.05 0.00 0.00 27.48 28.89 3hfh h GLN 811 CO 0.07 -0.08 -0.22 -1.13 -1.50 0.00 0.00 178.83 175.97 3hfh n SER 812 N -2.45 -0.55 -4.55 1.46 3.41 -1.25 -4.94 113.62 104.75 3hfh n SER 812 Ca -0.02 0.38 -0.34 0.00 -0.26 0.00 0.00 58.87 58.64 3hfh n SER 812 Cb 0.05 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 3hfh n SER 812 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hfh s ARG 813 N -0.35 3.01 0.41 4.33 0.52 -1.26 -4.95 118.95 120.66 3hfh s ARG 813 Ca 0.22 -0.55 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 3hfh s ARG 813 Cb -0.31 -2.67 0.87 0.00 0.52 0.00 0.00 34.95 33.36 3hfh s ARG 813 CO 0.20 0.54 2.04 2.35 0.02 0.00 0.00 175.30 180.45 3hfh h TRP 814 N 5.68 0.52 0.00 -0.53 2.91 -1.99 -1.54 115.95 121.01 3hfh h TRP 814 Ca -0.43 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3hfh h TRP 814 Cb 1.18 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 3hfh h TRP 814 CO 0.55 0.32 0.00 0.43 -1.03 0.00 0.00 178.44 178.71 3hfh n SER 815 N -4.47 0.00 -1.16 2.65 7.64 -1.26 -4.62 113.62 112.40 3hfh n SER 815 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3hfh n SER 815 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3hfh n SER 815 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3hfh n VAL 817 N -0.29 0.00 -1.71 0.44 0.31 -0.58 -5.19 118.33 111.31 3hfh n VAL 817 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hfh n VAL 817 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hfh n VAL 817 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hfh n ASP 819 N 0.57 0.00 0.00 4.52 9.92 -1.26 -4.70 116.55 125.60 3hfh n ASP 819 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hfh n ASP 819 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3hfh n ASP 819 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3hfh n VAL 821 N -0.63 0.00 0.45 2.53 0.24 -1.26 -5.02 118.33 114.63 3hfh n VAL 821 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3hfh n VAL 821 Cb 0.00 0.00 0.25 0.00 -1.47 0.00 0.00 33.84 32.62 3hfh n VAL 821 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3hfh n GLU 822 N 0.00 0.08 0.02 7.34 0.28 -1.26 -2.23 120.64 124.87 3hfh n GLU 822 Ca 0.00 0.24 0.03 0.00 -0.16 0.00 0.00 57.16 57.27 3hfh n GLU 822 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 3hfh n GLU 822 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3hfh n SER 823 N -1.38 0.59 -4.71 -1.84 7.64 -1.26 -4.97 113.62 107.69 3hfh n SER 823 Ca 0.04 0.25 -0.39 0.00 1.01 0.00 0.00 58.87 59.78 3hfh n SER 823 Cb 0.10 0.66 0.04 0.00 -1.01 0.00 0.00 64.21 64.01 3hfh n SER 823 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hfh n ASP 824 N -2.72 2.17 0.11 6.43 2.03 -0.95 -4.88 116.55 118.74 3hfh n ASP 824 Ca -0.10 0.94 0.12 0.00 0.52 0.00 0.00 54.79 56.27 3hfh n ASP 824 Cb 0.78 -1.52 0.46 0.00 -0.72 0.00 0.00 41.12 40.13 3hfh n ASP 824 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hfh n PRO 825 N -0.98 0.18 0.10 -0.67 -0.02 -1.26 -2.54 135.00 129.82 3hfh n PRO 825 Ca 0.11 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3hfh n PRO 825 Cb 0.45 -1.82 0.10 0.00 -0.02 0.00 0.00 33.50 32.20 3hfh n PRO 825 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hfh h ARG 826 N 0.00 0.00 -0.94 -0.52 3.08 -1.93 -2.32 114.38 111.75 3hfh h ARG 826 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hfh h ARG 826 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3hfh h ARG 826 CO 0.00 0.00 0.02 0.98 -1.07 0.00 0.00 179.97 179.90 3hfh n TYR 827 N -2.50 0.39 -0.00 3.04 4.19 -1.05 -4.23 117.16 117.00 3hfh n TYR 827 Ca 0.02 -0.23 0.00 0.00 3.31 0.00 0.00 57.90 61.00 3hfh n TYR 827 Cb 0.50 -0.21 0.00 0.00 0.49 0.00 0.00 39.34 40.12 3hfh n TYR 827 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3hfh n ALA 829 N 0.13 0.00 -2.50 2.98 0.00 -0.87 -4.81 120.51 115.43 3hfh n ALA 829 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 3hfh n ALA 829 Cb 0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 3hfh n ALA 829 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hfh s VAL 830 N -0.12 5.26 -2.00 0.00 1.01 -1.26 -4.97 120.40 118.32 3hfh s VAL 830 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3hfh s VAL 830 Cb 0.00 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.63 3hfh s VAL 830 CO 0.00 -0.17 0.69 -0.90 0.00 0.00 0.00 175.10 174.72 3hfh n ASP 831 N 5.13 0.00 -3.95 3.32 3.85 -1.26 -4.74 116.55 118.90 3hfh n ASP 831 Ca -0.12 -1.05 -0.09 0.00 -0.71 0.00 0.00 54.79 52.81 3hfh n ASP 831 Cb 0.48 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.15 3hfh n ASP 831 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3hfh s SER 832 N -1.51 0.20 -0.08 -1.12 1.04 -1.26 -5.06 113.70 105.91 3hfh s SER 832 Ca 0.04 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 3hfh s SER 832 Cb 0.02 0.18 -0.29 0.00 0.10 0.00 0.00 66.02 66.02 3hfh s SER 832 CO 0.03 -0.42 0.57 0.28 0.98 0.00 0.00 173.24 174.68 3hfh h SER 833 N 4.05 0.53 0.00 7.02 0.02 -1.99 -2.96 113.55 120.21 3hfh h SER 833 Ca -0.32 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 3hfh h SER 833 Cb 1.19 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3hfh h SER 833 CO 0.47 1.77 0.00 -1.54 -1.14 0.00 0.00 176.83 176.39 3hfh n SER 834 N -3.65 0.00 0.00 3.07 3.41 -1.26 -2.21 113.62 112.98 3hfh n SER 834 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3hfh n SER 834 Cb 1.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 3hfh n SER 834 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hfh n ARG 836 N -0.06 0.00 0.02 4.33 1.74 -1.12 -2.46 116.66 119.11 3hfh n ARG 836 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3hfh n ARG 836 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 3hfh n ARG 836 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hfh h GLU 837 N 0.00 0.58 0.31 5.56 4.81 -1.75 -2.18 114.58 121.92 3hfh h GLU 837 Ca 0.00 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.60 3hfh h GLU 837 Cb 0.00 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3hfh h GLU 837 CO 0.00 1.23 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.90 3hfh h ASP 838 N 0.19 -0.41 -0.89 1.04 3.45 -1.76 -2.49 116.42 115.55 3hfh h ASP 838 Ca -0.10 0.02 0.20 0.00 0.43 0.00 0.00 57.03 57.57 3hfh h ASP 838 Cb 1.52 0.12 -0.11 0.00 -0.56 0.00 0.00 39.33 40.29 3hfh h ASP 838 CO 0.17 -0.28 0.42 -0.07 -1.57 0.00 0.00 179.24 177.91 3hfh h LEU 839 N -0.44 0.42 -1.75 1.55 3.38 -1.87 0.21 115.31 116.81 3hfh h LEU 839 Ca -0.04 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hfh h LEU 839 Cb 0.36 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hfh h LEU 839 CO 0.05 0.08 0.00 0.33 0.09 0.00 0.00 178.44 178.99 3hfh n PHE 840 N -4.97 0.00 0.00 1.13 7.35 -0.82 -1.44 117.46 118.70 3hfh n PHE 840 Ca 0.21 -0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3hfh n PHE 840 Cb 0.59 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.30 3hfh n PHE 840 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3hfh n GLN 842 N 0.73 0.00 0.04 -4.13 6.02 0.72 -2.21 117.38 118.56 3hfh n GLN 842 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3hfh n GLN 842 Cb 0.12 0.00 0.59 0.00 1.02 0.00 0.00 30.24 31.97 3hfh n GLN 842 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3hfh h TYR 843 N 0.00 0.20 -0.00 1.08 5.03 -1.50 -0.21 116.97 121.57 3hfh h TYR 843 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3hfh h TYR 843 Cb 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.22 3hfh h TYR 843 CO 0.00 0.10 -0.04 -0.89 -1.32 0.00 0.00 178.16 176.01 3hfh n ILE 844 N -4.46 0.00 0.00 1.81 -0.00 -0.94 -5.02 119.36 110.75 3hfh n ILE 844 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 3hfh n ILE 844 Cb 0.35 -0.27 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 3hfh n ILE 844 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76