#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfh s LEU 658 N 0.00 4.60 0.01 2.45 2.34 -1.26 -4.97 118.68 121.86 3hfh s LEU 658 Ca 0.00 1.71 -0.01 0.00 0.06 0.00 0.00 54.13 55.88 3hfh s LEU 658 Cb 0.00 -3.36 -0.00 0.00 -0.56 0.00 0.00 46.19 42.26 3hfh s LEU 658 CO 0.00 0.19 0.19 0.61 -1.06 0.00 0.00 176.35 176.29 3hfh n GLY 659 N 1.59 -0.50 3.27 -3.48 0.00 -1.26 -4.71 105.19 100.10 3hfh n GLY 659 Ca -0.05 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3hfh n GLY 659 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfh s SER 660 N -3.60 2.23 0.26 1.61 1.04 -1.26 -5.04 113.70 108.93 3hfh s SER 660 Ca -0.01 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 3hfh s SER 660 Cb 0.01 -0.10 0.50 0.00 0.10 0.00 0.00 66.02 66.52 3hfh s SER 660 CO 0.03 -0.10 1.77 0.00 0.98 0.00 0.00 173.24 175.92 3hfh h ALA 661 N 3.48 1.23 0.00 5.32 0.00 -2.05 -3.43 119.26 123.81 3hfh h ALA 661 Ca -0.41 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3hfh h ALA 661 Cb 1.20 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.01 3hfh h ALA 661 CO 0.50 -0.07 0.85 -2.13 0.00 0.00 0.00 179.25 178.40 3hfh n ARG 662 N -4.86 0.00 0.00 0.00 0.63 -1.26 -4.69 116.66 106.48 3hfh n ARG 662 Ca 0.16 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.61 3hfh n ARG 662 Cb 0.40 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.50 3hfh n ARG 662 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3hfh n GLN 665 N 5.22 0.00 0.00 -0.14 6.02 -1.26 -4.97 117.38 122.25 3hfh n GLN 665 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3hfh n GLN 665 Cb 0.17 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.43 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 -0.98 1.08 7.35 -1.26 -4.70 117.46 118.95 3hfh n PHE 666 Ca 0.00 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3hfh n PHE 666 Cb 0.00 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.77 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 0.54 -0.21 0.00 -2.13 9.92 -1.26 -4.74 116.55 118.66 3hfh n ASP 668 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 3hfh n ASP 668 Cb 0.09 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 3hfh n ASP 668 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hfh n LEU 670 N -0.91 0.00 0.04 0.64 4.77 -1.26 -1.38 117.00 118.90 3hfh n LEU 670 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3hfh n LEU 670 Cb 0.11 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 3hfh n LEU 670 CO 0.00 0.00 0.86 -0.07 -1.33 0.00 0.00 177.39 176.85 3hfh h LEU 671 N 0.00 0.00 -1.58 2.23 3.38 -1.90 -2.20 115.31 115.24 3hfh h LEU 671 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hfh h LEU 671 Cb 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hfh h LEU 671 CO 0.00 0.02 -0.16 -0.33 0.09 0.00 0.00 178.44 178.06 3hfh h GLU 672 N -0.01 0.00 -0.04 1.13 5.08 -1.63 -2.34 114.58 116.77 3hfh h GLU 672 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hfh h GLU 672 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hfh h GLU 672 CO -0.00 0.16 0.00 0.54 -1.00 0.00 0.00 179.01 178.71 3hfh n ARG 673 N -3.50 2.06 -2.42 2.33 5.12 -1.20 -4.98 116.66 114.07 3hfh n ARG 673 Ca -0.01 -1.82 -0.07 0.00 -1.93 0.00 0.00 57.85 54.02 3hfh n ARG 673 Cb 0.32 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.21 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 1.24 0.28 3.72 -0.13 0.00 -0.88 -4.95 105.19 104.46 3hfh n GLY 674 Ca 0.13 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.64 2.76 0.59 1.61 1.01 -0.86 -4.97 120.40 117.89 3hfh s VAL 675 Ca 0.07 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 3hfh s VAL 675 Cb -0.03 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3hfh s VAL 675 CO 0.09 0.05 1.05 -0.55 0.00 0.00 0.00 175.10 175.74 3hfh s SER 676 N 1.08 5.80 0.00 3.32 0.15 -1.26 -4.89 113.70 117.91 3hfh s SER 676 Ca 0.68 1.80 0.27 0.00 0.70 0.00 0.00 55.95 59.39 3hfh s SER 676 Cb -0.42 -2.53 0.77 0.00 -1.71 0.00 0.00 66.02 62.13 3hfh s SER 676 CO 0.32 -1.15 1.58 0.00 1.20 0.00 0.00 173.24 175.19 3hfh n ALA 677 N -2.06 2.65 -3.26 5.45 0.00 -1.26 -4.57 120.51 117.47 3hfh n ALA 677 Ca 0.09 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.77 3hfh n ALA 677 Cb 0.53 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 0.34 1.89 -3.84 0.00 3.72 -1.26 -4.88 117.46 113.44 3hfh n PHE 678 Ca 0.17 -3.89 -0.03 0.00 -0.05 0.00 0.00 57.45 53.64 3hfh n PHE 678 Cb 0.42 -0.46 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 3hfh n PHE 678 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hfh s SER 679 N -2.13 -0.05 0.03 4.37 0.15 -1.26 -5.17 113.70 109.65 3hfh s SER 679 Ca 0.39 -0.62 -0.12 0.00 0.70 0.00 0.00 55.95 56.30 3hfh s SER 679 Cb 0.19 0.51 -0.06 0.00 -1.71 0.00 0.00 66.02 64.96 3hfh s SER 679 CO -0.07 -0.99 0.39 -0.89 1.20 0.00 0.00 173.24 172.88 3hfh s THR 680 N -2.49 5.08 0.25 6.45 2.01 -1.26 -5.01 115.64 120.68 3hfh s THR 680 Ca 0.19 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 3hfh s THR 680 Cb -0.02 -3.67 0.31 0.00 0.01 0.00 0.00 72.50 69.13 3hfh s THR 680 CO 0.05 0.46 1.62 -0.25 -0.69 0.00 0.00 174.62 175.81 3hfh h TRP 681 N 4.31 -0.10 0.00 4.92 2.91 -2.02 -1.73 115.95 124.25 3hfh h TRP 681 Ca -0.51 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.57 3hfh h TRP 681 Cb 1.21 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 30.03 3hfh h TRP 681 CO 0.69 -0.28 0.00 0.39 -1.03 0.00 0.00 178.44 178.21 3hfh n GLU 682 N -5.39 0.00 0.00 2.65 4.71 -1.26 -0.78 120.64 120.57 3hfh n GLU 682 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3hfh n GLU 682 Cb 0.50 -0.95 0.00 0.00 -1.01 0.00 0.00 31.44 29.98 3hfh n GLU 682 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3hfh n GLU 684 N 0.48 0.00 -0.32 3.49 -0.58 -0.65 -4.70 120.64 118.36 3hfh n GLU 684 Ca 0.00 0.00 0.21 0.00 -0.42 0.00 0.00 57.16 56.95 3hfh n GLU 684 Cb 0.00 0.00 0.40 0.00 -0.57 0.00 0.00 31.44 31.27 3hfh n GLU 684 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hfh n LEU 685 N 0.00 0.08 -2.21 -4.62 7.94 0.04 -3.94 117.00 114.29 3hfh n LEU 685 Ca 0.00 1.59 0.00 0.00 -1.11 0.00 0.00 56.01 56.49 3hfh n LEU 685 Cb 0.00 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.29 3hfh n LEU 685 CO 0.00 -1.68 0.14 0.00 -1.11 0.00 0.00 177.39 174.74 3hfh n HIS 686 N -5.28 0.00 0.00 1.96 1.44 -1.26 -1.46 115.22 110.61 3hfh n HIS 686 Ca 0.28 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 3hfh n HIS 686 Cb 0.94 -0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.77 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 2.20 0.00 0.32 0.61 -5.35 -1.25 -4.77 119.36 111.11 3hfh n ILE 688 Ca 0.00 0.00 0.21 0.00 -0.27 0.00 0.00 62.75 62.69 3hfh n ILE 688 Cb 0.00 0.00 1.09 0.00 -1.74 0.00 0.00 39.64 38.99 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 0.00 -0.14 7.28 3.04 -1.59 0.34 116.25 125.17 3hfh h VAL 689 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3hfh h VAL 689 Cb 0.00 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 3hfh h VAL 689 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.78 3hfh n PHE 690 N -3.00 0.16 -3.39 3.17 1.16 -1.26 -4.91 117.46 109.40 3hfh n PHE 690 Ca -0.02 -0.08 -0.38 0.00 -1.87 0.00 0.00 57.45 55.09 3hfh n PHE 690 Cb 0.10 -0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.90 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 -1.80 6.43 0.47 5.98 3.68 0.11 -4.96 116.67 126.57 3hfh s ASP 691 Ca 0.31 0.51 0.30 0.00 2.13 0.00 0.00 52.55 55.79 3hfh s ASP 691 Cb 0.20 -2.23 1.38 0.00 -1.45 0.00 0.00 42.92 40.82 3hfh s ASP 691 CO 0.30 -0.08 1.72 -0.65 0.13 0.00 0.00 175.17 176.59 3hfh h PRO 692 N 7.39 0.16 0.00 4.34 0.11 -1.91 0.41 132.00 142.50 3hfh h PRO 692 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hfh h PRO 692 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hfh h PRO 692 CO 0.71 0.10 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 3hfh n ARG 693 N -4.45 0.19 0.23 1.05 1.74 -1.26 -2.10 116.66 112.05 3hfh n ARG 693 Ca 0.30 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.92 3hfh n ARG 693 Cb 1.24 -1.88 0.55 0.00 -1.02 0.00 0.00 32.46 31.35 3hfh n ARG 693 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3hfh h TYR 694 N 0.00 0.00 -0.00 -1.55 5.03 -0.44 -2.48 116.97 117.53 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 0.32 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.60 3hfh h TYR 694 CO 0.00 0.22 -0.02 1.28 -1.32 0.00 0.00 178.16 178.33 3hfh n LEU 695 N -3.75 0.25 0.00 2.82 4.77 -0.89 -3.76 117.00 116.45 3hfh n LEU 695 Ca -0.01 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 3hfh n LEU 695 Cb 0.33 -0.07 0.31 0.00 -2.33 0.00 0.00 43.42 41.66 3hfh n LEU 695 CO 0.34 0.04 0.54 0.18 -1.33 0.00 0.00 177.39 177.16 3hfh n LEU 696 N -0.90 0.43 -4.22 2.23 4.77 -0.93 -4.87 117.00 113.51 3hfh n LEU 696 Ca 0.20 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 3hfh n LEU 696 Cb 0.19 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 3hfh n LEU 696 CO 0.19 0.09 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.09 3hfh s LEU 697 N -3.10 2.22 0.95 2.23 1.43 -1.25 -5.04 118.68 116.13 3hfh s LEU 697 Ca 0.11 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 3hfh s LEU 697 Cb 0.17 -0.78 0.17 0.00 0.03 0.00 0.00 46.19 45.78 3hfh s LEU 697 CO 0.67 0.06 1.18 0.54 0.23 0.00 0.00 176.35 179.03 3hfh s ASN 698 N -1.42 3.16 0.00 2.29 6.03 -1.26 -4.76 114.94 118.98 3hfh s ASN 698 Ca 0.04 0.75 0.00 0.00 -1.03 0.00 0.00 52.86 52.62 3hfh s ASN 698 Cb -0.09 -1.16 0.00 0.00 -3.03 0.00 0.00 41.25 36.97 3hfh s ASN 698 CO 0.02 -2.75 0.00 -2.65 -2.03 0.00 0.00 177.10 169.69 3hfh n PRO 699 N -3.86 0.00 0.00 3.55 -0.02 -1.26 -0.70 135.00 132.70 3hfh n PRO 699 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3hfh n PRO 699 Cb 0.60 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 0.70 0.00 0.00 -0.52 1.02 -1.26 -4.60 120.64 115.98 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 0.12 -1.72 116.66 120.28 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 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.21 0.00 0.09 5.56 6.02 -1.26 -1.54 117.38 126.45 3hfh n GLN 704 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3hfh n GLN 704 Cb 0.00 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.48 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 1.31 0.21 5.09 2.07 -1.73 -1.88 116.25 121.32 3hfh h VAL 705 Ca 0.00 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 3hfh h VAL 705 Cb 0.00 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3hfh h VAL 705 CO 0.00 0.46 -0.10 0.15 0.02 0.00 0.00 177.57 178.10 3hfh h PHE 706 N 0.20 -0.27 -0.97 1.57 3.57 -1.53 -0.40 116.94 119.11 3hfh h PHE 706 Ca 0.02 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 3hfh h PHE 706 Cb 0.84 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.56 3hfh h PHE 706 CO 0.01 0.13 0.57 -0.44 -2.23 0.00 0.00 178.31 176.35 3hfh h ASP 707 N -0.78 0.75 -0.27 0.41 3.45 -1.79 0.13 116.42 118.32 3hfh h ASP 707 Ca -0.03 0.09 -0.19 0.00 0.43 0.00 0.00 57.03 57.33 3hfh h ASP 707 Cb 0.51 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3hfh h ASP 707 CO 0.05 0.30 -0.57 -0.61 -1.57 0.00 0.00 179.24 176.84 3hfh h GLN 708 N 0.77 0.87 -0.27 3.56 5.75 -1.32 -3.22 115.11 121.26 3hfh h GLN 708 Ca 0.54 -0.56 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 3hfh h GLN 708 Cb 0.78 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 3hfh h GLN 708 CO -0.36 1.19 -0.20 -0.92 -2.65 0.00 0.00 178.83 175.89 3hfh h TYR 709 N 0.66 0.53 0.00 3.99 5.03 0.36 -1.09 116.97 126.46 3hfh h TYR 709 Ca 0.01 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.22 3hfh h TYR 709 Cb 1.18 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.32 3hfh h TYR 709 CO 0.07 0.66 0.00 0.28 -1.32 0.00 0.00 178.16 177.85 3hfh n VAL 710 N -4.15 0.15 0.00 1.81 0.31 0.32 -1.83 118.33 114.93 3hfh n VAL 710 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hfh n VAL 710 Cb 0.37 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.11 0.00 0.04 2.52 -1.04 -0.41 -2.17 114.28 113.33 3hfh n THR 712 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3hfh n THR 712 Cb 0.27 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.77 3hfh n THR 712 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3hfh h ARG 713 N 0.00 0.50 -0.35 -2.82 2.43 -1.59 -1.78 114.38 110.77 3hfh h ARG 713 Ca 0.00 -0.44 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3hfh h ARG 713 Cb 0.00 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hfh h ARG 713 CO 0.00 1.08 0.05 0.00 -1.51 0.00 0.00 179.97 179.59 3hfh h ALA 714 N 0.79 0.46 -0.66 2.80 0.00 -1.69 -1.90 119.26 119.06 3hfh h ALA 714 Ca -0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3hfh h ALA 714 Cb 1.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3hfh h ALA 714 CO 0.15 0.17 0.14 0.93 0.00 0.00 0.00 179.25 180.64 3hfh h GLU 715 N 0.41 1.05 -0.61 0.00 5.08 -1.81 0.39 114.58 119.09 3hfh h GLU 715 Ca 0.10 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3hfh h GLU 715 Cb 0.37 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3hfh h GLU 715 CO 0.01 0.94 0.23 0.93 -1.00 0.00 0.00 179.01 180.12 3hfh h GLU 716 N 0.99 0.89 -0.00 2.33 5.08 -1.11 -1.66 114.58 121.11 3hfh h GLU 716 Ca 0.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hfh h GLU 716 Cb 0.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hfh h GLU 716 CO 0.00 0.74 -0.01 1.49 -1.00 0.00 0.00 179.01 180.23 3hfh h GLU 717 N 0.88 0.01 -0.72 2.33 4.81 -0.83 0.89 114.58 121.95 3hfh h GLU 717 Ca 0.21 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.57 3hfh h GLU 717 Cb 0.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.43 3hfh h GLU 717 CO -0.02 0.76 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.73 3hfh h ARG 718 N -0.74 -0.02 -0.17 1.92 2.43 -0.93 -2.59 114.38 114.29 3hfh h ARG 718 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3hfh h ARG 718 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3hfh h ARG 718 CO 0.00 -0.01 -0.29 0.00 -1.51 0.00 0.00 179.97 178.16 3hfh h ARG 719 N -0.02 0.49 -4.76 0.20 3.08 -1.26 -3.43 114.38 108.69 3hfh h ARG 719 Ca 0.34 -0.31 -0.26 0.00 0.07 0.00 0.00 59.98 59.82 3hfh h ARG 719 Cb 0.54 0.03 0.07 0.00 0.08 0.00 0.00 29.97 30.69 3hfh h ARG 719 CO -0.75 0.91 0.91 -1.91 -1.07 0.00 0.00 179.97 178.05 3hfh n GLU 720 N -4.38 0.00 -2.60 0.04 2.13 0.30 -5.00 120.64 111.13 3hfh n GLU 720 Ca -0.06 -0.52 -0.13 0.00 0.66 0.00 0.00 57.16 57.11 3hfh n GLU 720 Cb 0.47 -1.81 0.02 0.00 0.27 0.00 0.00 31.44 30.39 3hfh n GLU 720 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hfh n ASN 723 N 6.06 -4.19 -0.09 4.31 3.02 -1.26 -5.10 115.26 118.02 3hfh n ASN 723 Ca 0.21 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3hfh n ASN 723 Cb 0.27 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 3hfh n ASN 723 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hfh n ILE 725 N -4.00 0.00 0.00 2.41 -0.00 -1.26 -4.61 119.36 111.90 3hfh n ILE 725 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 3hfh n ILE 725 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.22 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 -0.09 0.00 0.00 0.38 -0.06 -1.26 -4.71 117.38 111.65 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 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 1.86 0.00 1.69 0.00 -1.26 -2.37 120.51 120.42 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 -1.91 0.00 0.00 0.00 177.50 175.59 3hfh n GLU 730 N 0.32 0.00 -0.10 0.00 4.07 -1.26 -1.43 120.64 122.24 3hfh n GLU 730 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 3hfh n GLU 730 Cb 0.16 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.41 3hfh n GLU 730 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3hfh n ASP 731 N 0.00 1.53 -4.62 4.31 8.00 -1.00 -5.27 116.55 119.51 3hfh n ASP 731 Ca 0.00 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 3hfh n ASP 731 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 3hfh n ASP 731 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hfh s PHE 732 N -2.52 1.38 0.00 1.24 5.36 -0.51 -4.96 117.98 117.96 3hfh s PHE 732 Ca -0.27 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 3hfh s PHE 732 Cb 0.08 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 3hfh s PHE 732 CO 0.68 -4.11 0.00 0.45 -1.46 0.00 0.00 175.22 170.78 3hfh n SER 758 N 10.32 0.00 -0.15 6.13 2.88 -1.26 -5.04 113.62 126.50 3hfh n SER 758 Ca 0.26 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.93 3hfh n SER 758 Cb 0.44 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.44 3hfh n SER 758 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hfh n ARG 759 N 0.00 0.73 -0.40 -1.46 3.00 -1.26 -3.68 116.66 113.58 3hfh n ARG 759 Ca 0.00 -0.31 -0.04 0.00 -0.01 0.00 0.00 57.85 57.49 3hfh n ARG 759 Cb 0.00 -1.49 0.10 0.00 0.00 0.00 0.00 32.46 31.06 3hfh n ARG 759 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3hfh n PHE 760 N -0.87 0.99 0.00 -1.55 -0.00 -1.26 -4.49 117.46 110.28 3hfh n PHE 760 Ca 0.14 -0.72 0.00 0.00 -0.00 0.00 0.00 57.45 56.87 3hfh n PHE 760 Cb 0.30 -0.41 0.00 0.00 -0.00 0.00 0.00 39.48 39.37 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 0.02 0.00 -2.06 3.13 0.00 -1.24 -4.84 120.51 115.53 3hfh n ALA 762 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 3hfh n ALA 762 Cb 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 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 4.18 -0.04 0.00 -1.09 -1.26 -5.11 121.20 117.87 3hfh s ILE 763 Ca 0.00 1.93 0.13 0.00 -2.23 0.00 0.00 60.65 60.48 3hfh s ILE 763 Cb 0.00 -4.23 -0.20 0.00 -1.58 0.00 0.00 42.46 36.45 3hfh s ILE 763 CO 0.00 0.36 0.82 -0.33 -1.23 0.00 0.00 174.94 174.56 3hfh h GLU 764 N 5.00 0.00 0.00 2.79 5.08 -2.01 -3.47 114.58 121.97 3hfh h GLU 764 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3hfh h GLU 764 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hfh h GLU 764 CO 0.71 0.52 0.00 -0.25 -1.00 0.00 0.00 179.01 178.99 3hfh n ASP 768 N -3.06 0.00 -0.84 1.42 8.00 -1.26 -5.04 116.55 115.76 3hfh n ASP 768 Ca -0.12 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.37 3hfh n ASP 768 Cb 0.98 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 42.10 3hfh n ASP 768 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3hfh n ARG 769 N 0.00 1.22 0.00 -1.24 1.85 -1.26 -3.07 116.66 114.16 3hfh n ARG 769 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 3hfh n ARG 769 Cb 0.00 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 3hfh n ARG 769 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3hfh n GLU 770 N 0.20 2.31 0.00 2.89 1.02 -1.26 -3.89 120.64 121.91 3hfh n GLU 770 Ca 0.04 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.24 3hfh n GLU 770 Cb 0.45 -0.76 0.33 0.00 -0.02 0.00 0.00 31.44 31.44 3hfh n GLU 770 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hfh n ALA 771 N -1.16 1.76 -0.11 0.62 0.00 -1.17 -1.90 120.51 118.54 3hfh n ALA 771 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 3hfh n ALA 771 Cb 0.19 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 3hfh n ALA 771 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hfh n LEU 772 N -1.29 2.28 0.09 0.00 4.32 -1.22 -3.28 117.00 117.89 3hfh n LEU 772 Ca 0.06 0.10 0.06 0.00 -0.02 0.00 0.00 56.01 56.21 3hfh n LEU 772 Cb 0.11 -0.73 0.32 0.00 -1.62 0.00 0.00 43.42 41.50 3hfh n LEU 772 CO 0.10 0.67 0.68 0.33 -1.22 0.00 0.00 177.39 177.95 3hfh n PHE 773 N -3.63 0.40 0.54 -1.77 7.35 -1.15 0.87 117.46 120.07 3hfh n PHE 773 Ca -0.43 0.21 0.06 0.00 -0.76 0.00 0.00 57.45 56.53 3hfh n PHE 773 Cb 0.87 -0.83 0.01 0.00 0.35 0.00 0.00 39.48 39.88 3hfh n PHE 773 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3hfh n ASN 774 N -1.91 1.54 -0.02 -2.13 3.02 -0.80 -3.78 115.26 111.17 3hfh n ASN 774 Ca -0.01 -1.27 -0.16 0.00 -0.03 0.00 0.00 54.58 53.12 3hfh n ASN 774 Cb 0.03 0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 3hfh n ASN 774 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3hfh h GLU 775 N 1.65 0.38 0.19 3.52 4.81 0.50 -3.01 114.58 122.61 3hfh h GLU 775 Ca 0.00 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3hfh h GLU 775 Cb 0.44 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3hfh h GLU 775 CO 0.00 0.99 -0.09 0.35 -0.73 0.00 0.00 179.01 179.53 3hfh h PHE 776 N -0.12 -0.24 -0.69 0.92 -0.00 -1.51 -2.72 116.94 112.58 3hfh h PHE 776 Ca -0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.91 3hfh h PHE 776 Cb 1.09 0.08 -0.03 0.00 -0.00 0.00 0.00 35.95 37.09 3hfh h PHE 776 CO 0.13 0.15 0.35 0.28 -0.00 0.00 0.00 178.31 179.22 3hfh h VAL 777 N -0.92 1.22 -0.01 1.41 2.07 -1.75 0.55 116.25 118.83 3hfh h VAL 777 Ca -0.03 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3hfh h VAL 777 Cb 0.49 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3hfh h VAL 777 CO 0.04 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3hfh n ALA 778 N -2.36 2.51 0.00 1.67 0.00 -1.14 -2.06 120.51 119.14 3hfh n ALA 778 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hfh n ALA 778 Cb 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3hfh n ALA 778 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfh n ALA 779 N -0.49 1.54 0.08 0.00 0.00 -0.57 -4.69 120.51 116.37 3hfh n ALA 779 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.53 3hfh n ALA 779 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 3hfh n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfh h ALA 780 N 0.00 0.57 -1.61 0.00 0.00 0.42 -3.46 119.26 115.17 3hfh h ALA 780 Ca 0.00 -0.35 -0.64 0.00 0.00 0.00 0.00 54.91 53.92 3hfh h ALA 780 Cb 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.76 3hfh h ALA 780 CO 0.00 0.38 0.95 1.03 0.00 0.00 0.00 179.25 181.61 3hfh s ARG 781 N -3.18 3.44 0.00 0.00 0.52 -0.87 -5.07 118.95 113.79 3hfh s ARG 781 Ca -0.01 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 3hfh s ARG 781 Cb 0.09 -4.79 0.00 0.00 0.52 0.00 0.00 34.95 30.77 3hfh s ARG 781 CO 0.80 -1.93 0.00 0.39 0.02 0.00 0.00 175.30 174.58 3hfh n GLU 784 N 7.67 0.00 0.00 3.54 1.02 -1.26 -5.03 120.64 126.57 3hfh n GLU 784 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3hfh n GLU 784 Cb 0.49 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3hfh n GLU 784 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hfh n GLU 786 N -0.88 0.00 0.21 3.49 2.13 -1.26 -2.69 120.64 121.64 3hfh n GLU 786 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3hfh n GLU 786 Cb 0.40 0.00 0.59 0.00 0.27 0.00 0.00 31.44 32.69 3hfh n GLU 786 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3hfh h ASP 787 N 0.00 0.09 -0.26 4.31 5.19 -2.00 0.94 116.42 124.70 3hfh h ASP 787 Ca 0.00 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 3hfh h ASP 787 Cb 0.00 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.41 3hfh h ASP 787 CO 0.00 0.08 0.17 -1.20 -3.12 0.00 0.00 179.24 175.17 3hfh n SER 788 N -4.51 3.48 0.00 6.45 7.64 -1.10 -2.88 113.62 122.70 3hfh n SER 788 Ca -0.02 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.41 3hfh n SER 788 Cb 0.10 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3hfh n SER 788 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hfh n THR 790 N 0.16 0.00 0.14 0.44 -2.24 0.33 -3.35 114.28 109.76 3hfh n THR 790 Ca 0.15 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.95 3hfh n THR 790 Cb 0.77 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 69.10 3hfh n THR 790 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3hfh h ARG 791 N 0.00 0.00 0.00 -0.78 9.65 -1.75 -3.35 114.38 118.15 3hfh h ARG 791 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3hfh h ARG 791 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3hfh h ARG 791 CO 0.00 0.54 0.00 0.41 2.80 0.00 0.00 179.97 183.72 3hfh n GLY 792 N 0.93 -2.74 1.85 2.80 0.00 -1.21 -1.42 105.19 105.40 3hfh n GLY 792 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hfh n GLY 792 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hfh n GLU 793 N -1.53 0.00 -0.21 1.61 1.02 -1.26 -4.76 120.64 115.52 3hfh n GLU 793 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hfh n GLU 793 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.43 0.00 0.00 -3.67 5.41 -0.51 -4.52 119.36 117.50 3hfh n ILE 795 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3hfh n ILE 795 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3hfh n ILE 795 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3hfh n SER 797 N 0.51 0.00 0.20 4.38 7.64 -1.26 -2.08 113.62 123.00 3hfh n SER 797 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 3hfh n SER 797 Cb 0.00 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 3hfh n SER 797 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3hfh h ASP 798 N 0.00 0.00 0.57 6.43 3.32 -1.93 0.32 116.42 125.13 3hfh h ASP 798 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3hfh h ASP 798 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hfh h ASP 798 CO 0.00 0.34 -1.25 0.15 -1.72 0.00 0.00 179.24 176.76 3hfh h PHE 799 N 0.00 0.57 -0.24 4.55 3.57 -1.61 0.10 116.94 123.88 3hfh h PHE 799 Ca -0.00 -0.41 -0.06 0.00 3.53 0.00 0.00 57.97 61.03 3hfh h PHE 799 Cb 0.75 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3hfh h PHE 799 CO 0.00 1.31 -0.10 0.74 -2.23 0.00 0.00 178.31 178.03 3hfh h PHE 800 N 0.09 0.56 -0.87 0.41 -1.00 -1.80 -0.52 116.94 113.81 3hfh h PHE 800 Ca -0.15 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.48 3hfh h PHE 800 Cb 1.97 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 41.36 3hfh h PHE 800 CO 0.07 0.75 0.46 1.49 -1.61 0.00 0.00 178.31 179.47 3hfh h GLU 801 N 0.21 1.22 -0.38 1.51 4.81 -0.36 0.27 114.58 121.86 3hfh h GLU 801 Ca 0.05 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3hfh h GLU 801 Cb 0.59 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3hfh h GLU 801 CO 0.03 0.90 0.12 1.25 -0.73 0.00 0.00 179.01 180.58 3hfh h LEU 802 N 1.23 0.10 -0.58 1.64 5.85 -0.60 -2.58 115.31 120.38 3hfh h LEU 802 Ca 0.31 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 3hfh h LEU 802 Cb 0.05 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3hfh h LEU 802 CO -0.05 0.09 0.15 -0.07 -0.34 0.00 0.00 178.44 178.22 3hfh h LEU 803 N 0.26 0.87 0.00 2.25 3.38 0.21 -2.46 115.31 119.83 3hfh h LEU 803 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hfh h LEU 803 Cb 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hfh h LEU 803 CO -0.20 0.87 0.00 -1.54 0.09 0.00 0.00 178.44 177.67 3hfh n SER 804 N -4.38 0.00 0.10 -0.43 3.41 0.82 -0.16 113.62 112.98 3hfh n SER 804 Ca 0.03 0.30 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 3hfh n SER 804 Cb 0.23 -0.37 0.45 0.00 -0.26 0.00 0.00 64.21 64.26 3hfh n SER 804 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hfh n ASN 805 N -1.37 0.65 -4.69 4.04 5.03 -0.92 -4.80 115.26 113.20 3hfh n ASN 805 Ca 0.03 0.60 -0.23 0.00 0.87 0.00 0.00 54.58 55.85 3hfh n ASN 805 Cb 0.07 -0.76 -0.07 0.00 -1.02 0.00 0.00 39.78 38.00 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 -3.17 2.70 -0.49 3.10 3.76 0.78 -5.09 115.29 116.88 3hfh s HIS 806 Ca 0.08 -0.31 -0.19 0.00 -0.15 0.00 0.00 55.06 54.49 3hfh s HIS 806 Cb 0.11 -1.43 0.05 0.00 1.11 0.00 0.00 32.58 32.42 3hfh s HIS 806 CO 0.49 0.47 0.59 -1.01 -0.85 0.00 0.00 174.74 174.44 3hfh s HIS 807 N -2.38 3.07 0.08 1.40 3.76 -1.26 -5.01 115.29 114.96 3hfh s HIS 807 Ca 0.35 -0.49 0.07 0.00 -0.15 0.00 0.00 55.06 54.83 3hfh s HIS 807 Cb -0.04 -3.43 -0.03 0.00 1.11 0.00 0.00 32.58 30.19 3hfh s HIS 807 CO 0.21 -0.97 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.45 3hfh s LEU 808 N 2.54 2.27 0.00 0.89 1.43 -1.26 -5.05 118.68 119.50 3hfh s LEU 808 Ca 0.15 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3hfh s LEU 808 Cb -0.19 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.29 3hfh s LEU 808 CO 0.13 0.02 0.00 -0.90 0.23 0.00 0.00 176.35 175.82 3hfh n ASP 809 N 1.27 0.00 -0.04 2.29 3.85 -1.26 -5.01 116.55 117.64 3hfh n ASP 809 Ca -0.20 -0.60 -0.01 0.00 -0.71 0.00 0.00 54.79 53.27 3hfh n ASP 809 Cb 0.54 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.56 3hfh n ASP 809 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3hfh h SER 810 N 0.00 0.59 0.74 -1.12 0.02 -1.94 -2.38 113.55 109.45 3hfh h SER 810 Ca 0.00 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3hfh h SER 810 Cb 0.00 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 3hfh h SER 810 CO 0.00 0.64 -0.02 1.56 -1.14 0.00 0.00 176.83 177.87 3hfh h GLN 811 N 0.60 0.00 -6.66 3.45 7.50 -1.96 -3.45 115.11 114.59 3hfh h GLN 811 Ca 0.13 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.70 3hfh h GLN 811 Cb 0.34 0.00 0.12 0.00 0.05 0.00 0.00 27.48 27.99 3hfh h GLN 811 CO 0.01 0.02 0.25 0.43 -1.50 0.00 0.00 178.83 178.04 3hfh n SER 812 N -3.15 1.63 -3.99 1.46 7.64 -0.90 -5.00 113.62 111.30 3hfh n SER 812 Ca -0.00 1.09 -0.28 0.00 1.01 0.00 0.00 58.87 60.68 3hfh n SER 812 Cb 0.26 -1.38 -0.17 0.00 -1.01 0.00 0.00 64.21 61.91 3hfh n SER 812 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hfh s ARG 813 N -1.96 1.95 0.44 1.43 0.52 -1.26 -4.96 118.95 115.10 3hfh s ARG 813 Ca 0.61 -0.44 0.21 0.00 -0.52 0.00 0.00 55.73 55.59 3hfh s ARG 813 Cb -0.57 -1.78 1.17 0.00 0.52 0.00 0.00 34.95 34.29 3hfh s ARG 813 CO 0.58 -0.16 1.84 2.35 0.02 0.00 0.00 175.30 179.93 3hfh h TRP 814 N 7.76 0.45 0.00 -0.53 -0.00 -1.98 -1.88 115.95 119.77 3hfh h TRP 814 Ca -0.33 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.58 3hfh h TRP 814 Cb 1.15 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 30.18 3hfh h TRP 814 CO 0.48 0.10 0.00 0.43 -0.00 0.00 0.00 178.44 179.44 3hfh n SER 815 N -4.48 0.00 -2.13 2.65 7.64 -1.26 -4.60 113.62 111.44 3hfh n SER 815 Ca 0.21 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.98 3hfh n SER 815 Cb 0.80 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.40 0.00 -2.41 0.44 0.31 -0.71 -5.15 118.33 110.41 3hfh n VAL 817 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3hfh n VAL 817 Cb 0.00 -0.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.79 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 -0.33 -0.78 0.00 4.52 8.00 -1.26 -4.77 116.55 121.93 3hfh n ASP 819 Ca 0.03 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.30 3hfh n ASP 819 Cb 0.15 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3hfh n ASP 819 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hfh n VAL 821 N -1.92 0.00 0.20 2.53 0.24 -1.26 -4.80 118.33 113.31 3hfh n VAL 821 Ca 0.03 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.41 3hfh n VAL 821 Cb 0.26 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 32.95 3hfh n VAL 821 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3hfh h GLU 822 N 0.00 0.00 -0.14 7.34 4.11 -2.01 -2.96 114.58 120.92 3hfh h GLU 822 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 3hfh h GLU 822 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3hfh h GLU 822 CO 0.00 0.30 -0.53 0.77 0.07 0.00 0.00 179.01 179.62 3hfh h SER 823 N 0.00 0.44 -3.85 3.06 0.02 -2.01 -3.46 113.55 107.74 3hfh h SER 823 Ca -0.00 -0.23 -0.53 0.00 -0.84 0.00 0.00 61.79 60.19 3hfh h SER 823 Cb 0.93 -0.13 0.08 0.00 0.14 0.00 0.00 62.40 63.43 3hfh h SER 823 CO 0.04 0.89 0.71 -0.62 -1.14 0.00 0.00 176.83 176.70 3hfh s ASP 824 N -6.90 6.58 0.49 3.07 3.68 -1.12 -4.94 116.67 117.54 3hfh s ASP 824 Ca -0.06 2.84 0.23 0.00 2.13 0.00 0.00 52.55 57.69 3hfh s ASP 824 Cb 0.12 -2.65 1.29 0.00 -1.45 0.00 0.00 42.92 40.23 3hfh s ASP 824 CO 0.81 -0.69 2.03 -0.65 0.13 0.00 0.00 175.17 176.80 3hfh h PRO 825 N 3.40 0.00 0.00 4.34 0.11 -1.89 -2.51 132.00 135.45 3hfh h PRO 825 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hfh h PRO 825 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hfh h PRO 825 CO 0.66 0.15 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 3hfh n ARG 826 N -3.82 0.19 -0.57 1.05 1.74 -1.26 -2.21 116.66 111.78 3hfh n ARG 826 Ca -0.02 0.31 -0.03 0.00 -0.77 0.00 0.00 57.85 57.34 3hfh n ARG 826 Cb 0.25 -1.79 0.17 0.00 -1.02 0.00 0.00 32.46 30.08 3hfh n ARG 826 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3hfh n TYR 827 N -2.13 1.38 0.00 -1.55 4.19 -0.95 -4.27 117.16 113.83 3hfh n TYR 827 Ca 0.04 -0.74 0.00 0.00 3.31 0.00 0.00 57.90 60.51 3hfh n TYR 827 Cb 0.30 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 39.68 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 0.04 0.00 -2.46 2.98 0.00 -0.94 -4.71 120.51 115.42 3hfh n ALA 829 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 3hfh n ALA 829 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.35 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 0.00 3.92 -2.09 0.00 1.01 -1.26 -4.90 120.40 117.07 3hfh s VAL 830 Ca 0.00 0.84 0.27 0.00 0.00 0.00 0.00 61.98 63.09 3hfh s VAL 830 Cb 0.00 -4.51 0.72 0.00 0.00 0.00 0.00 36.38 32.60 3hfh s VAL 830 CO 0.00 -1.14 1.97 -0.90 0.00 0.00 0.00 175.10 175.03 3hfh n ASP 831 N 8.94 0.34 -4.13 3.32 3.85 -1.26 -4.64 116.55 122.96 3hfh n ASP 831 Ca 0.12 -1.24 -0.34 0.00 -0.71 0.00 0.00 54.79 52.62 3hfh n ASP 831 Cb 0.49 -0.01 -0.14 0.00 -1.35 0.00 0.00 41.12 40.11 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 -1.85 4.78 0.47 -1.12 1.04 -1.26 -4.97 113.70 110.79 3hfh s SER 832 Ca 0.40 -1.40 0.23 0.00 0.48 0.00 0.00 55.95 55.66 3hfh s SER 832 Cb 0.19 -1.67 1.26 0.00 0.10 0.00 0.00 66.02 65.90 3hfh s SER 832 CO 0.31 -0.26 1.89 -1.28 0.98 0.00 0.00 173.24 174.89 3hfh h SER 833 N 7.91 0.21 0.00 7.02 0.87 -2.00 -0.48 113.55 127.09 3hfh h SER 833 Ca -0.19 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3hfh h SER 833 Cb 1.05 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3hfh h SER 833 CO 0.52 0.09 0.00 -1.54 -0.53 0.00 0.00 176.83 175.37 3hfh n SER 834 N -4.41 2.47 0.00 6.23 3.41 -1.26 -3.17 113.62 116.89 3hfh n SER 834 Ca 0.17 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 3hfh n SER 834 Cb 0.75 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.47 0.00 -0.04 4.33 1.74 -0.19 -1.53 116.66 121.45 3hfh n ARG 836 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3hfh n ARG 836 Cb 0.42 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.84 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 -0.14 -0.62 5.56 4.81 -1.81 -1.51 114.58 120.87 3hfh h GLU 837 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3hfh h GLU 837 Cb 0.00 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 3hfh h GLU 837 CO 0.00 -0.09 0.09 -0.44 -0.73 0.00 0.00 179.01 177.83 3hfh h ASP 838 N -0.14 -0.09 -0.07 1.04 3.45 -1.60 -2.38 116.42 116.62 3hfh h ASP 838 Ca 0.12 0.13 0.01 0.00 0.43 0.00 0.00 57.03 57.73 3hfh h ASP 838 Cb 0.33 0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 3hfh h ASP 838 CO -0.30 -0.04 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.25 3hfh h LEU 839 N 0.21 -0.06 -2.13 1.55 3.38 -1.61 0.45 115.31 117.09 3hfh h LEU 839 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3hfh h LEU 839 Cb 0.51 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hfh h LEU 839 CO -0.46 -0.02 0.00 0.33 0.09 0.00 0.00 178.44 178.39 3hfh n PHE 840 N -5.12 0.00 0.00 1.13 7.35 -0.66 -0.20 117.46 119.96 3hfh n PHE 840 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3hfh n PHE 840 Cb 0.06 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 39.80 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 0.97 0.00 0.26 -4.13 6.02 0.15 -2.05 117.38 118.59 3hfh n GLN 842 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.16 3hfh n GLN 842 Cb 0.00 0.00 0.71 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 0.00 -0.01 1.08 5.03 -0.85 -2.84 116.97 119.39 3hfh h TYR 843 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3hfh h TYR 843 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 3hfh h TYR 843 CO 0.00 0.00 -0.67 -0.89 -1.32 0.00 0.00 178.16 175.28 3hfh n ILE 844 N -2.92 0.00 1.48 1.81 2.08 -0.87 -5.03 119.36 115.91 3hfh n ILE 844 Ca 0.00 -0.16 0.12 0.00 0.56 0.00 0.00 62.75 63.27 3hfh n ILE 844 Cb 0.26 1.10 0.70 0.00 -0.75 0.00 0.00 39.64 40.95 3hfh n ILE 844 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32