#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr0 n THR 655 N 0.00 -0.01 -3.72 4.28 -1.04 -1.26 -4.96 114.28 107.57 1fr0 n THR 655 Ca 0.00 -1.83 -0.27 0.00 -2.04 0.00 0.00 64.05 59.91 1fr0 n THR 655 Cb 0.00 1.27 0.05 0.00 -1.82 0.00 0.00 70.33 69.83 1fr0 n THR 655 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1fr0 n GLU 656 N 0.27 -6.49 0.00 -2.82 2.13 -1.26 -4.92 120.64 107.55 1fr0 n GLU 656 Ca 0.07 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1fr0 n GLU 656 Cb 0.71 -5.67 0.00 0.00 0.27 0.00 0.00 31.44 26.75 1fr0 n GLU 656 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1fr0 n GLU 657 N -4.77 0.00 -3.61 5.31 1.02 -1.26 -5.15 120.64 112.18 1fr0 n GLU 657 Ca 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1fr0 n GLU 657 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.95 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1fr0 s ASN 658 N -0.02 -0.10 -0.23 1.62 2.20 -1.26 -5.06 114.94 112.09 1fr0 s ASN 658 Ca 0.00 -0.03 0.21 0.00 -0.94 0.00 0.00 52.86 52.10 1fr0 s ASN 658 Cb 0.00 0.12 0.49 0.00 -2.00 0.00 0.00 41.25 39.87 1fr0 s ASN 658 CO 0.00 -0.21 1.13 -0.24 -2.94 0.00 0.00 177.10 174.84 1fr0 n SER 659 N -0.18 1.94 -4.66 3.54 2.88 -1.26 -5.01 113.62 110.87 1fr0 n SER 659 Ca -0.01 -2.29 -0.31 0.00 -1.33 0.00 0.00 58.87 54.93 1fr0 n SER 659 Cb 0.59 -0.44 0.17 0.00 -0.75 0.00 0.00 64.21 63.78 1fr0 n SER 659 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1fr0 n LYS 660 N -0.48 -0.57 0.00 -1.46 2.85 -1.26 -1.08 118.16 116.15 1fr0 n LYS 660 Ca 0.12 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1fr0 n LYS 660 Cb 0.86 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1fr0 n LYS 660 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1fr0 n SER 661 N -4.26 0.00 0.29 -5.58 7.64 -1.26 -3.94 113.62 106.50 1fr0 n SER 661 Ca 0.11 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.19 1fr0 n SER 661 Cb 0.52 0.00 1.02 0.00 -1.01 0.00 0.00 64.21 64.75 1fr0 n SER 661 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1fr0 h GLU 662 N 0.00 0.00 -0.01 1.43 4.81 -1.85 0.68 114.58 119.64 1fr0 h GLU 662 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1fr0 h GLU 662 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1fr0 h GLU 662 CO 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 179.01 178.05 1fr0 n ALA 663 N -1.99 3.01 -0.02 2.92 0.00 -0.24 -3.81 120.51 120.37 1fr0 n ALA 663 Ca -0.02 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.12 1fr0 n ALA 663 Cb 0.07 -1.20 -0.16 0.00 0.00 0.00 0.00 19.45 18.16 1fr0 n ALA 663 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fr0 n LEU 664 N -0.83 0.05 -4.10 0.00 4.77 0.22 -4.46 117.00 112.65 1fr0 n LEU 664 Ca 0.12 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1fr0 n LEU 664 Cb 0.33 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1fr0 n LEU 664 CO 0.26 0.11 -0.29 -1.48 -1.33 0.00 0.00 177.39 174.66 1fr0 s LEU 665 N -4.80 1.94 -0.42 2.23 2.34 -1.17 -1.70 118.68 117.10 1fr0 s LEU 665 Ca -0.08 -1.09 -0.23 0.00 0.06 0.00 0.00 54.13 52.79 1fr0 s LEU 665 Cb 0.12 0.36 0.02 0.00 -0.56 0.00 0.00 46.19 46.13 1fr0 s LEU 665 CO 0.88 -0.70 0.79 -0.62 -1.06 0.00 0.00 176.35 175.65 1fr0 s ASP 666 N -2.99 6.48 0.09 1.48 -1.08 -0.87 -4.75 116.67 115.02 1fr0 s ASP 666 Ca 0.17 0.10 -0.19 0.00 -0.52 0.00 0.00 52.55 52.12 1fr0 s ASP 666 Cb 0.07 -2.39 -0.07 0.00 -1.46 0.00 0.00 42.92 39.06 1fr0 s ASP 666 CO -0.03 -0.85 1.57 0.40 0.52 0.00 0.00 175.17 176.79 1fr0 h ILE 667 N 5.89 1.22 -0.14 4.11 5.03 -1.92 -0.02 117.51 131.68 1fr0 h ILE 667 Ca -0.25 -0.74 -0.12 0.00 -0.12 0.00 0.00 64.86 63.63 1fr0 h ILE 667 Cb 1.09 1.22 0.00 0.00 -3.03 0.00 0.00 36.82 36.10 1fr0 h ILE 667 CO 0.94 0.24 -0.39 1.55 -0.68 0.00 0.00 178.15 179.81 1fr0 h PRO 668 N 0.23 0.52 -0.49 2.37 0.13 -1.99 -1.85 132.00 130.93 1fr0 h PRO 668 Ca 0.08 -0.37 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1fr0 h PRO 668 Cb 0.31 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 1fr0 h PRO 668 CO 0.00 0.99 0.17 1.98 -0.23 0.00 0.00 178.00 180.91 1fr0 h MET 669 N 0.15 0.75 -0.23 0.86 4.05 -1.96 -1.53 114.93 117.00 1fr0 h MET 669 Ca -0.01 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 1fr0 h MET 669 Cb 1.01 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1fr0 h MET 669 CO 0.09 0.69 0.11 -0.07 0.23 0.00 0.00 176.91 177.95 1fr0 h LEU 670 N 0.65 0.31 -0.59 3.39 3.38 -1.02 -2.46 115.31 118.98 1fr0 h LEU 670 Ca 0.16 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1fr0 h LEU 670 Cb 0.24 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1fr0 h LEU 670 CO -0.01 0.37 0.29 -0.08 0.09 0.00 0.00 178.44 179.10 1fr0 h GLU 671 N 0.24 0.52 0.33 1.13 4.22 -1.16 -0.94 114.58 118.93 1fr0 h GLU 671 Ca 0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1fr0 h GLU 671 Cb 0.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1fr0 h GLU 671 CO -0.01 0.35 -0.49 0.37 -2.18 0.00 0.00 179.01 177.05 1fr0 h GLN 672 N 0.54 -0.84 -0.81 1.92 -0.00 -0.98 -0.21 115.11 114.74 1fr0 h GLN 672 Ca 0.27 0.06 0.15 0.00 -0.00 0.00 0.00 58.65 59.13 1fr0 h GLN 672 Cb 0.22 0.19 -0.10 0.00 0.00 0.00 0.00 27.48 27.79 1fr0 h GLN 672 CO -0.20 -0.56 0.37 1.88 0.00 0.00 0.00 178.83 180.31 1fr0 h TYR 673 N -0.87 0.63 -0.40 3.99 0.05 -1.09 1.38 116.97 120.67 1fr0 h TYR 673 Ca -0.03 0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.85 1fr0 h TYR 673 Cb 0.80 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 1fr0 h TYR 673 CO -0.32 0.10 0.07 1.25 -1.05 0.00 0.00 178.16 178.21 1fr0 h LEU 674 N 0.51 -0.02 -0.11 3.88 7.12 -0.15 -0.87 115.31 125.68 1fr0 h LEU 674 Ca 0.45 0.07 -0.24 0.00 0.13 0.00 0.00 57.88 58.29 1fr0 h LEU 674 Cb 0.69 0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1fr0 h LEU 674 CO -0.40 0.03 -0.97 -0.08 -0.13 0.00 0.00 178.44 176.89 1fr0 h GLU 675 N 0.19 0.56 0.06 1.25 4.81 0.77 -2.44 114.58 119.78 1fr0 h GLU 675 Ca 0.19 -0.59 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1fr0 h GLU 675 Cb 0.24 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1fr0 h GLU 675 CO -0.26 1.21 -0.09 -0.07 -0.73 0.00 0.00 179.01 179.07 1fr0 h LEU 676 N 0.32 -0.24 0.00 1.64 3.38 0.24 -3.42 115.31 117.23 1fr0 h LEU 676 Ca -0.10 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1fr0 h LEU 676 Cb 1.61 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1fr0 h LEU 676 CO 0.18 -0.11 -1.11 0.52 0.09 0.00 0.00 178.44 178.02 1fr0 n VAL 677 N -2.85 0.11 0.00 1.22 0.31 -0.43 -5.07 118.33 111.63 1fr0 n VAL 677 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1fr0 n VAL 677 Cb 0.07 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1fr0 n VAL 677 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr0 n GLY 678 N 3.00 0.75 0.00 2.92 0.00 -0.64 -4.71 105.19 106.51 1fr0 n GLY 678 Ca -0.04 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 44.00 1fr0 n GLY 678 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fr0 n PRO 679 N 0.00 0.77 0.17 1.61 -0.04 -1.26 -3.78 135.00 132.46 1fr0 n PRO 679 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1fr0 n PRO 679 Cb 0.00 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 1fr0 n PRO 679 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1fr0 h LYS 680 N 0.00 -0.41 0.00 0.54 1.63 -1.96 0.16 116.57 116.53 1fr0 h LYS 680 Ca 0.00 0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.66 1fr0 h LYS 680 Cb 0.00 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1fr0 h LYS 680 CO 0.00 -0.27 -0.81 1.37 -3.45 0.00 0.00 179.45 176.29 1fr0 h LEU 681 N -0.43 0.00 -0.07 5.20 8.10 -1.94 -2.08 115.31 124.08 1fr0 h LEU 681 Ca -0.04 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.90 1fr0 h LEU 681 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 1fr0 h LEU 681 CO 0.07 0.81 -0.16 0.40 -4.11 0.00 0.00 178.44 175.45 1fr0 h ILE 682 N 0.00 1.42 0.30 0.15 2.04 -1.65 -1.86 117.51 117.90 1fr0 h ILE 682 Ca -0.01 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1fr0 h ILE 682 Cb 1.54 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1fr0 h ILE 682 CO 0.11 0.42 -0.14 0.74 0.00 0.00 0.00 178.15 179.27 1fr0 h THR 683 N -0.26 0.28 0.13 -0.27 2.02 -0.77 -2.21 112.91 111.82 1fr0 h THR 683 Ca -0.00 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1fr0 h THR 683 Cb 0.75 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1fr0 h THR 683 CO 0.03 0.07 -0.19 0.44 0.37 0.00 0.00 175.52 176.25 1fr0 h ASP 684 N -1.04 -0.55 -0.94 4.18 5.19 -1.42 0.22 116.42 122.06 1fr0 h ASP 684 Ca -0.04 0.05 0.28 0.00 -0.62 0.00 0.00 57.03 56.70 1fr0 h ASP 684 Cb 0.42 0.19 -0.15 0.00 0.18 0.00 0.00 39.33 39.97 1fr0 h ASP 684 CO 0.07 -0.23 0.39 1.23 -3.12 0.00 0.00 179.24 177.57 1fr0 h GLY 685 N -0.33 1.69 1.28 2.75 0.00 -1.49 0.88 103.07 107.85 1fr0 h GLY 685 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1fr0 h GLY 685 CO -0.06 -0.43 0.17 -2.00 0.00 0.00 0.00 176.54 174.21 1fr0 h LEU 686 N 0.26 0.84 0.66 3.11 5.85 -0.66 -1.35 115.31 124.01 1fr0 h LEU 686 Ca 0.64 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 1fr0 h LEU 686 Cb 1.38 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1fr0 h LEU 686 CO -0.64 0.81 -0.33 0.00 -0.34 0.00 0.00 178.44 177.93 1fr0 h ALA 687 N 1.31 -0.91 0.00 1.25 0.00 0.40 0.15 119.26 121.46 1fr0 h ALA 687 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fr0 h ALA 687 Cb 0.28 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fr0 h ALA 687 CO -0.01 -1.01 -0.07 -0.39 0.00 0.00 0.00 179.25 177.77 1fr0 h VAL 688 N -0.90 0.93 0.00 0.00 -1.51 -1.34 -0.83 116.25 112.59 1fr0 h VAL 688 Ca -0.09 -0.25 -0.10 0.00 -1.23 0.00 0.00 66.70 65.03 1fr0 h VAL 688 Cb 0.70 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1fr0 h VAL 688 CO 0.13 0.07 -0.48 0.15 -1.23 0.00 0.00 177.57 176.21 1fr0 h PHE 689 N 0.00 0.00 -0.00 5.19 3.04 -0.64 -2.34 116.94 122.19 1fr0 h PHE 689 Ca -0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1fr0 h PHE 689 Cb 0.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1fr0 h PHE 689 CO 0.00 0.48 -0.06 0.93 -2.02 0.00 0.00 178.31 177.64 1fr0 h GLU 690 N 0.00 0.05 0.00 1.11 5.08 0.74 0.10 114.58 121.66 1fr0 h GLU 690 Ca -0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1fr0 h GLU 690 Cb 1.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1fr0 h GLU 690 CO 0.06 0.78 -0.31 1.57 -1.00 0.00 0.00 179.01 180.10 1fr0 h LYS 691 N -0.66 0.00 0.00 2.33 2.10 -1.53 -2.35 116.57 116.46 1fr0 h LYS 691 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1fr0 h LYS 691 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1fr0 h LYS 691 CO 0.01 0.31 -0.62 -1.33 -2.00 0.00 0.00 179.45 175.83 1fr0 n MET 692 N -3.84 0.09 0.03 0.07 2.81 -0.88 -4.09 117.12 111.31 1fr0 n MET 692 Ca -0.01 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1fr0 n MET 692 Cb 0.39 -1.54 -0.06 0.00 -0.71 0.00 0.00 33.22 31.29 1fr0 n MET 692 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1fr0 h MET 693 N 0.00 0.02 -0.24 0.03 4.05 -0.22 0.16 114.93 118.73 1fr0 h MET 693 Ca 0.00 -0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 1fr0 h MET 693 Cb 0.57 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1fr0 h MET 693 CO 0.00 0.01 -0.49 -1.00 0.23 0.00 0.00 176.91 175.67 1fr0 h PRO 694 N 0.02 0.64 -0.34 0.39 0.13 -1.73 -2.30 132.00 128.81 1fr0 h PRO 694 Ca 0.01 -0.37 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1fr0 h PRO 694 Cb 0.01 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1fr0 h PRO 694 CO -0.02 0.98 -0.28 0.78 -0.23 0.00 0.00 178.00 179.24 1fr0 h GLY 695 N 0.98 0.77 0.74 1.56 0.00 -1.66 -1.74 103.07 103.73 1fr0 h GLY 695 Ca 0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1fr0 h GLY 695 CO 0.10 0.63 -0.18 -0.97 0.00 0.00 0.00 176.54 176.12 1fr0 h TYR 696 N 0.61 -0.46 -0.90 5.60 0.05 -0.57 -2.72 116.97 118.58 1fr0 h TYR 696 Ca 0.08 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.94 1fr0 h TYR 696 Cb 0.79 0.15 -0.08 0.00 1.01 0.00 0.00 36.73 38.61 1fr0 h TYR 696 CO 0.04 -0.15 0.54 0.28 -1.05 0.00 0.00 178.16 177.82 1fr0 h VAL 697 N -0.76 0.93 -0.51 -2.88 2.07 -1.41 -0.90 116.25 112.79 1fr0 h VAL 697 Ca -0.05 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.26 1fr0 h VAL 697 Cb 0.52 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1fr0 h VAL 697 CO 0.08 0.16 -0.03 -1.28 0.02 0.00 0.00 177.57 176.53 1fr0 h SER 698 N 0.90 -0.28 -0.65 0.57 0.87 -1.17 0.19 113.55 113.98 1fr0 h SER 698 Ca 0.43 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 61.09 1fr0 h SER 698 Cb 0.38 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1fr0 h SER 698 CO -0.25 -0.10 0.27 0.58 -0.53 0.00 0.00 176.83 176.81 1fr0 h VAL 699 N 0.09 1.23 -0.68 2.23 2.07 -0.88 -2.38 116.25 117.93 1fr0 h VAL 699 Ca 0.26 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1fr0 h VAL 699 Cb 0.40 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1fr0 h VAL 699 CO -0.45 0.29 0.33 0.25 0.02 0.00 0.00 177.57 178.01 1fr0 h LEU 700 N 0.98 0.89 -0.05 2.57 5.85 0.11 -2.32 115.31 123.33 1fr0 h LEU 700 Ca 0.23 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1fr0 h LEU 700 Cb 0.19 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1fr0 h LEU 700 CO -0.02 0.77 0.02 -0.08 -0.34 0.00 0.00 178.44 178.79 1fr0 h GLU 701 N 0.94 0.05 -0.61 1.25 4.57 -0.30 0.15 114.58 120.64 1fr0 h GLU 701 Ca 0.23 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.51 1fr0 h GLU 701 Cb 0.12 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.62 1fr0 h GLU 701 CO -0.03 0.04 0.19 1.03 -1.18 0.00 0.00 179.01 179.06 1fr0 h SER 702 N 0.06 0.15 1.11 1.04 0.87 -1.20 0.37 113.55 115.95 1fr0 h SER 702 Ca 0.02 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1fr0 h SER 702 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1fr0 h SER 702 CO -0.01 0.09 0.00 0.78 -0.53 0.00 0.00 176.83 177.15 1fr0 h ASN 703 N 0.35 0.00 0.38 6.23 4.21 -0.97 -3.02 115.58 122.76 1fr0 h ASN 703 Ca 0.31 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.80 1fr0 h ASN 703 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1fr0 h ASN 703 CO -0.34 0.00 -0.18 0.25 -1.29 0.00 0.00 177.43 175.86 1fr0 h LEU 704 N 0.00 -0.43 -2.06 1.61 7.12 0.26 -0.88 115.31 120.94 1fr0 h LEU 704 Ca 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1fr0 h LEU 704 Cb 0.56 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1fr0 h LEU 704 CO 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.31 1fr0 h THR 705 N -0.99 0.00 -0.02 1.05 1.03 -1.43 0.12 112.91 112.67 1fr0 h THR 705 Ca -0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1fr0 h THR 705 Cb 0.53 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1fr0 h THR 705 CO 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.60 1fr0 n ALA 706 N -1.95 2.58 -3.64 0.00 0.00 -1.11 -4.93 120.51 111.47 1fr0 n ALA 706 Ca -0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 1fr0 n ALA 706 Cb 0.10 -1.19 0.07 0.00 0.00 0.00 0.00 19.45 18.43 1fr0 n ALA 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fr0 n GLN 707 N 0.07 -7.60 -3.09 0.00 6.02 0.43 -4.92 117.38 108.29 1fr0 n GLN 707 Ca 0.19 0.80 -0.45 0.00 -0.01 0.00 0.00 57.00 57.53 1fr0 n GLN 707 Cb 0.33 -5.83 -0.02 0.00 1.02 0.00 0.00 30.24 25.74 1fr0 n GLN 707 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fr0 s ASP 708 N -3.35 6.68 0.45 1.08 1.01 -0.37 -4.83 116.67 117.34 1fr0 s ASP 708 Ca 0.58 -2.31 0.25 0.00 0.71 0.00 0.00 52.55 51.78 1fr0 s ASP 708 Cb -0.26 -2.32 0.72 0.00 1.01 0.00 0.00 42.92 42.07 1fr0 s ASP 708 CO 0.74 -0.86 1.74 0.07 0.21 0.00 0.00 175.17 177.08 1fr0 h LYS 709 N 8.40 0.00 0.37 8.23 2.10 -1.91 -2.35 116.57 131.41 1fr0 h LYS 709 Ca 0.14 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.77 1fr0 h LYS 709 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1fr0 h LYS 709 CO 0.96 0.10 -0.18 0.87 -2.00 0.00 0.00 179.45 179.20 1fr0 h LYS 710 N 0.00 -0.48 -0.29 0.07 1.57 -1.98 -1.83 116.57 113.62 1fr0 h LYS 710 Ca -0.00 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1fr0 h LYS 710 Cb 0.85 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1fr0 h LYS 710 CO 0.01 -0.23 -0.04 0.78 -0.57 0.00 0.00 179.45 179.40 1fr0 h GLY 711 N -1.07 0.59 0.67 3.86 0.00 -1.99 -2.28 103.07 102.86 1fr0 h GLY 711 Ca -0.05 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 46.86 1fr0 h GLY 711 CO 0.08 0.43 0.20 -2.22 0.00 0.00 0.00 176.54 175.03 1fr0 h ILE 712 N 0.32 0.91 -0.61 2.60 2.04 -1.54 0.16 117.51 121.40 1fr0 h ILE 712 Ca 0.08 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1fr0 h ILE 712 Cb 0.50 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1fr0 h ILE 712 CO 0.02 0.07 0.28 0.58 0.00 0.00 0.00 178.15 179.11 1fr0 h VAL 713 N 0.40 1.22 0.23 1.67 2.07 -1.25 0.69 116.25 121.28 1fr0 h VAL 713 Ca 0.21 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1fr0 h VAL 713 Cb 0.16 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1fr0 h VAL 713 CO -0.18 0.25 -0.11 -0.33 0.02 0.00 0.00 177.57 177.22 1fr0 h GLU 714 N 0.83 -0.30 0.00 1.57 5.08 -0.82 -2.31 114.58 118.62 1fr0 h GLU 714 Ca 0.21 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1fr0 h GLU 714 Cb 0.13 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1fr0 h GLU 714 CO -0.02 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 1fr0 n GLU 715 N -5.07 0.06 0.00 2.33 1.02 0.51 -1.78 120.64 117.71 1fr0 n GLU 715 Ca -0.09 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1fr0 n GLU 715 Cb 0.25 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fr0 n GLY 716 N -0.84 -1.18 0.24 0.62 0.00 0.23 -1.93 105.19 102.34 1fr0 n GLY 716 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1fr0 n GLY 716 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1fr0 h HIS 717 N 0.00 0.00 0.06 1.61 2.07 -1.52 -1.24 115.15 116.13 1fr0 h HIS 717 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1fr0 h HIS 717 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1fr0 h HIS 717 CO 0.08 0.00 -0.03 -0.22 -3.07 0.00 0.00 177.93 174.69 1fr0 h LYS 718 N 0.00 -0.08 0.02 5.12 3.64 -1.43 -1.61 116.57 122.23 1fr0 h LYS 718 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fr0 h LYS 718 Cb 0.30 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1fr0 h LYS 718 CO 0.00 0.50 -0.01 0.82 -2.27 0.00 0.00 179.45 178.49 1fr0 h ILE 719 N -0.79 0.00 -0.97 2.00 5.03 -1.27 -1.80 117.51 119.71 1fr0 h ILE 719 Ca -0.01 -0.52 0.13 0.00 -0.12 0.00 0.00 64.86 64.35 1fr0 h ILE 719 Cb 0.62 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.33 1fr0 h ILE 719 CO 0.01 0.00 0.62 0.11 -0.68 0.00 0.00 178.15 178.21 1fr0 h LYS 720 N -0.55 0.87 -0.39 2.37 6.56 -1.39 0.14 116.57 124.18 1fr0 h LYS 720 Ca -0.00 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.43 1fr0 h LYS 720 Cb 0.02 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.47 1fr0 h LYS 720 CO 0.01 0.57 -0.18 0.78 -2.06 0.00 0.00 179.45 178.57 1fr0 h GLY 721 N 0.89 0.79 0.88 3.86 0.00 -1.31 -2.36 103.07 105.83 1fr0 h GLY 721 Ca 0.49 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1fr0 h GLY 721 CO -0.26 0.58 -0.13 0.00 0.00 0.00 0.00 176.54 176.74 1fr0 h ALA 722 N 1.15 0.38 -0.27 3.60 0.00 0.09 -2.91 119.26 121.29 1fr0 h ALA 722 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fr0 h ALA 722 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1fr0 h ALA 722 CO 0.05 0.25 0.17 0.00 0.00 0.00 0.00 179.25 179.72 1fr0 h ALA 723 N 0.74 1.79 0.00 0.00 0.00 -0.80 0.20 119.26 121.19 1fr0 h ALA 723 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fr0 h ALA 723 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fr0 h ALA 723 CO 0.04 0.19 -0.00 0.78 0.00 0.00 0.00 179.25 180.26 1fr0 h GLY 724 N 0.39 0.00 2.00 0.00 0.00 -1.22 0.78 103.07 105.01 1fr0 h GLY 724 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1fr0 h GLY 724 CO -0.02 0.00 -0.25 0.23 0.00 0.00 0.00 176.54 176.50 1fr0 h SER 725 N 0.00 0.00 -0.36 0.19 0.87 -1.00 -2.53 113.55 110.72 1fr0 h SER 725 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fr0 h SER 725 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1fr0 h SER 725 CO 0.00 0.25 0.00 0.52 -0.53 0.00 0.00 176.83 177.07 1fr0 n VAL 726 N -3.35 0.85 -0.12 2.23 0.31 0.22 -4.81 118.33 113.65 1fr0 n VAL 726 Ca 0.01 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1fr0 n VAL 726 Cb 0.48 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 1fr0 n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fr0 n GLY 727 N 0.85 0.84 3.16 2.92 0.00 -0.96 -4.97 105.19 107.03 1fr0 n GLY 727 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1fr0 n GLY 727 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fr0 n LEU 728 N 0.00 5.96 0.21 0.99 4.77 -0.77 -2.06 117.00 126.11 1fr0 n LEU 728 Ca 0.00 -4.58 0.07 0.00 -0.03 0.00 0.00 56.01 51.47 1fr0 n LEU 728 Cb 0.00 -1.54 0.45 0.00 -2.33 0.00 0.00 43.42 40.00 1fr0 n LEU 728 CO 0.00 1.08 0.78 0.08 -1.33 0.00 0.00 177.39 178.00 1fr0 h ARG 729 N 6.39 0.00 0.24 3.23 0.11 -1.64 -2.64 114.38 120.07 1fr0 h ARG 729 Ca 0.35 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.44 1fr0 h ARG 729 Cb 0.74 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.79 1fr0 h ARG 729 CO 1.43 0.30 -0.37 1.25 0.10 0.00 0.00 179.97 182.69 1fr0 h HIS 730 N 0.00 -1.00 -0.17 4.08 2.76 -1.55 -1.82 115.15 117.45 1fr0 h HIS 730 Ca -0.00 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1fr0 h HIS 730 Cb 0.67 0.41 -0.00 0.00 1.55 0.00 0.00 27.41 30.03 1fr0 h HIS 730 CO 0.00 -0.49 -0.17 -0.07 -1.30 0.00 0.00 177.93 175.90 1fr0 h LEU 731 N -0.68 0.44 -0.68 0.26 3.38 -1.79 -2.79 115.31 113.46 1fr0 h LEU 731 Ca 0.00 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1fr0 h LEU 731 Cb 0.65 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 1fr0 h LEU 731 CO -0.14 0.83 -0.45 -0.61 0.09 0.00 0.00 178.44 178.16 1fr0 h GLN 732 N 0.05 -0.17 0.06 1.13 -0.00 -1.15 -0.29 115.11 114.76 1fr0 h GLN 732 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1fr0 h GLN 732 Cb 0.71 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.22 1fr0 h GLN 732 CO 0.04 -0.11 -0.05 0.37 0.00 0.00 0.00 178.83 179.08 1fr0 h GLN 733 N -0.17 -0.12 -0.79 1.69 4.15 -1.37 -2.22 115.11 116.27 1fr0 h GLN 733 Ca 0.20 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.73 1fr0 h GLN 733 Cb 0.55 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 28.14 1fr0 h GLN 733 CO -0.76 -0.08 -0.46 -0.07 -1.93 0.00 0.00 178.83 175.53 1fr0 h LEU 734 N -0.13 -1.65 -0.80 -2.39 4.07 -0.81 0.51 115.31 114.12 1fr0 h LEU 734 Ca 0.00 0.28 0.06 0.00 0.08 0.00 0.00 57.88 58.31 1fr0 h LEU 734 Cb 0.12 0.77 -0.06 0.00 1.08 0.00 0.00 40.66 42.57 1fr0 h LEU 734 CO -0.01 -0.30 0.48 1.23 -1.08 0.00 0.00 178.44 178.77 1fr0 h GLY 735 N -0.11 1.20 -0.47 0.83 0.00 -1.07 -1.29 103.07 102.16 1fr0 h GLY 735 Ca 0.22 -0.35 0.26 0.00 0.00 0.00 0.00 47.33 47.46 1fr0 h GLY 735 CO -0.83 0.23 0.33 -1.61 0.00 0.00 0.00 176.54 174.65 1fr0 h GLN 736 N 0.88 0.24 0.00 4.80 -0.00 0.64 0.62 115.11 122.29 1fr0 h GLN 736 Ca 0.35 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.95 1fr0 h GLN 736 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 1fr0 h GLN 736 CO -0.18 0.16 -0.55 1.96 0.00 0.00 0.00 178.83 180.22 1fr0 h GLN 737 N 0.24 0.00 0.00 1.69 1.08 -0.83 -3.25 115.11 114.05 1fr0 h GLN 737 Ca 0.60 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.80 1fr0 h GLN 737 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1fr0 h GLN 737 CO -0.64 0.12 0.00 -0.89 -0.95 0.00 0.00 178.83 176.47 1fr0 n ILE 738 N -2.97 0.75 1.61 2.54 2.08 0.21 -2.32 119.36 121.26 1fr0 n ILE 738 Ca 0.01 0.06 0.14 0.00 0.56 0.00 0.00 62.75 63.53 1fr0 n ILE 738 Cb 0.61 -0.99 0.63 0.00 -0.75 0.00 0.00 39.64 39.13 1fr0 n ILE 738 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1fr0 n GLN 739 N -2.29 1.43 -2.64 0.38 0.00 -0.61 -4.16 117.38 109.49 1fr0 n GLN 739 Ca 0.03 -0.68 -0.31 0.00 -0.00 0.00 0.00 57.00 56.04 1fr0 n GLN 739 Cb 0.30 -1.49 -0.01 0.00 0.00 0.00 0.00 30.24 29.04 1fr0 n GLN 739 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1fr0 n SER 740 N -0.20 5.47 -2.63 1.69 2.88 -0.98 -4.90 113.62 114.94 1fr0 n SER 740 Ca 0.20 -3.72 -0.08 0.00 -1.33 0.00 0.00 58.87 53.95 1fr0 n SER 740 Cb 0.29 -0.71 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 1fr0 n SER 740 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1fr0 n PRO 741 N -0.31 0.90 0.00 -1.46 -0.04 -1.26 -2.77 135.00 130.05 1fr0 n PRO 741 Ca 0.39 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1fr0 n PRO 741 Cb 0.42 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1fr0 n PRO 741 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fr0 n ASP 742 N 3.48 0.61 -4.77 3.54 2.03 -1.26 -4.97 116.55 115.22 1fr0 n ASP 742 Ca 0.19 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.10 1fr0 n ASP 742 Cb 0.22 0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.73 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1fr0 s LEU 743 N -0.50 4.29 0.37 -2.67 1.02 -1.12 -4.86 118.68 115.22 1fr0 s LEU 743 Ca 0.00 2.79 0.27 0.00 0.02 0.00 0.00 54.13 57.21 1fr0 s LEU 743 Cb 0.00 -3.77 1.24 0.00 0.02 0.00 0.00 46.19 43.68 1fr0 s LEU 743 CO 0.00 -0.80 1.82 1.55 0.02 0.00 0.00 176.35 178.94 1fr0 h PRO 744 N 2.93 0.00 0.00 1.29 0.13 -1.98 -2.24 132.00 132.13 1fr0 h PRO 744 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1fr0 h PRO 744 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1fr0 h PRO 744 CO 0.64 0.00 -1.81 0.00 -0.23 0.00 0.00 178.00 176.59 1fr0 n ALA 745 N -1.86 3.08 -0.02 -0.56 0.00 -1.26 -4.37 120.51 115.51 1fr0 n ALA 745 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 53.44 52.77 1fr0 n ALA 745 Cb 0.18 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1fr0 n ALA 745 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1fr0 h TRP 746 N 0.00 0.53 0.00 0.00 7.01 -1.76 0.19 115.95 121.92 1fr0 h TRP 746 Ca 0.00 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.75 1fr0 h TRP 746 Cb 0.89 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1fr0 h TRP 746 CO 0.00 1.02 0.03 1.49 -2.79 0.00 0.00 178.44 178.18 1fr0 h GLU 747 N -0.10 0.00 -0.01 2.65 4.22 -1.74 0.14 114.58 119.74 1fr0 h GLU 747 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1fr0 h GLU 747 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1fr0 h GLU 747 CO 0.09 0.00 -0.07 -3.47 -2.18 0.00 0.00 179.01 173.37 1fr0 n ASP 748 N -2.50 1.15 -0.07 1.04 -0.08 -1.11 -4.60 116.55 110.37 1fr0 n ASP 748 Ca -0.02 -1.07 -0.07 0.00 -1.51 0.00 0.00 54.79 52.12 1fr0 n ASP 748 Cb 0.07 0.29 -0.11 0.00 2.34 0.00 0.00 41.12 43.71 1fr0 n ASP 748 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1fr0 n ASN 749 N -0.08 1.55 -0.57 1.67 3.02 0.65 -4.44 115.26 117.07 1fr0 n ASN 749 Ca 0.03 -0.00 0.45 0.00 -0.03 0.00 0.00 54.58 55.03 1fr0 n ASN 749 Cb 0.13 0.82 0.75 0.00 -0.61 0.00 0.00 39.78 40.88 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1fr0 h VAL 750 N 0.00 0.09 -0.19 2.41 2.07 -1.05 0.28 116.25 119.87 1fr0 h VAL 750 Ca -0.38 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1fr0 h VAL 750 Cb 1.86 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1fr0 h VAL 750 CO 0.02 0.00 -0.30 1.23 0.02 0.00 0.00 177.57 178.54 1fr0 h GLY 751 N 0.03 -0.35 2.00 2.17 0.00 -1.84 0.52 103.07 105.60 1fr0 h GLY 751 Ca 0.86 0.37 -0.13 0.00 0.00 0.00 0.00 47.33 48.43 1fr0 h GLY 751 CO -0.17 -0.21 -0.63 0.83 0.00 0.00 0.00 176.54 176.36 1fr0 h GLU 752 N -0.34 0.00 -0.67 4.80 5.08 -0.79 -2.56 114.58 120.10 1fr0 h GLU 752 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1fr0 h GLU 752 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1fr0 h GLU 752 CO -0.38 0.63 0.33 2.35 -1.00 0.00 0.00 179.01 180.95 1fr0 h TRP 753 N 0.00 0.94 0.03 4.33 2.91 -0.39 0.14 115.95 123.92 1fr0 h TRP 753 Ca -0.01 -0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.91 1fr0 h TRP 753 Cb 1.34 -0.30 0.01 0.00 -0.51 0.00 0.00 29.16 29.70 1fr0 h TRP 753 CO 0.00 0.70 -0.29 0.82 -1.03 0.00 0.00 178.44 178.63 1fr0 h ILE 754 N 0.92 1.63 -0.27 2.65 1.08 -0.96 -2.60 117.51 119.95 1fr0 h ILE 754 Ca 0.23 -2.22 0.02 0.00 -0.39 0.00 0.00 64.86 62.50 1fr0 h ILE 754 Cb 0.09 3.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 1fr0 h ILE 754 CO -0.03 0.60 0.13 -0.33 -0.69 0.00 0.00 178.15 177.83 1fr0 h GLU 755 N -0.64 0.27 0.59 2.37 5.08 -1.42 -2.74 114.58 118.08 1fr0 h GLU 755 Ca -0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1fr0 h GLU 755 Cb 1.15 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.34 1fr0 h GLU 755 CO 0.06 0.18 -0.28 1.49 -1.00 0.00 0.00 179.01 179.45 1fr0 h GLU 756 N 0.28 -0.76 -0.80 2.33 4.57 -0.83 -2.67 114.58 116.69 1fr0 h GLU 756 Ca 0.11 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.42 1fr0 h GLU 756 Cb 0.04 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 28.71 1fr0 h GLU 756 CO -0.08 -0.48 -0.47 -0.12 -1.18 0.00 0.00 179.01 176.68 1fr0 n MET 757 N -5.40 -0.35 0.07 1.92 1.56 -0.98 -1.23 117.12 112.71 1fr0 n MET 757 Ca -0.12 1.41 -0.16 0.00 -0.27 0.00 0.00 57.70 58.55 1fr0 n MET 757 Cb 0.34 -2.07 -0.10 0.00 2.15 0.00 0.00 33.22 33.54 1fr0 n MET 757 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1fr0 h LYS 758 N 0.00 -0.67 -3.33 2.12 3.64 -1.49 0.22 116.57 117.06 1fr0 h LYS 758 Ca 0.13 0.05 -0.69 0.00 -1.27 0.00 0.00 60.65 58.86 1fr0 h LYS 758 Cb 0.33 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1fr0 h LYS 758 CO -0.76 -0.45 3.44 0.39 -2.27 0.00 0.00 179.45 179.81 1fr0 n GLU 759 N -5.47 3.48 0.00 1.90 -0.58 -0.37 -3.61 120.64 115.99 1fr0 n GLU 759 Ca -0.08 -2.48 0.00 0.00 -0.42 0.00 0.00 57.16 54.18 1fr0 n GLU 759 Cb 0.40 -2.96 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1fr0 n GLU 760 N 4.30 0.00 -0.19 3.49 2.13 -1.04 -4.85 120.64 124.48 1fr0 n GLU 760 Ca 0.67 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.47 1fr0 n GLU 760 Cb 0.29 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.08 1fr0 n GLU 760 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1fr0 h TRP 761 N 0.00 0.51 0.18 4.31 5.08 -0.63 -2.44 115.95 122.96 1fr0 h TRP 761 Ca 0.00 0.02 0.01 0.00 1.08 0.00 0.00 58.89 60.00 1fr0 h TRP 761 Cb 0.00 -0.14 -0.03 0.00 -3.00 0.00 0.00 29.16 25.99 1fr0 h TRP 761 CO 0.00 0.22 -0.26 -0.09 -1.28 0.00 0.00 178.44 177.04 1fr0 h ARG 762 N 0.53 -0.48 -0.84 0.12 2.43 -1.81 -2.04 114.38 112.28 1fr0 h ARG 762 Ca 0.26 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.67 1fr0 h ARG 762 Cb 0.21 0.11 -0.15 0.00 -0.42 0.00 0.00 29.97 29.72 1fr0 h ARG 762 CO -0.20 -0.32 -0.01 1.25 -1.51 0.00 0.00 179.97 179.18 1fr0 h HIS 763 N -0.50 -0.10 -0.23 2.20 2.76 -1.82 0.30 115.15 117.77 1fr0 h HIS 763 Ca 0.01 0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1fr0 h HIS 763 Cb 0.49 0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.58 1fr0 h HIS 763 CO -0.21 -0.31 -0.12 0.22 -1.30 0.00 0.00 177.93 176.22 1fr0 h ASP 764 N 0.07 -0.39 0.42 3.26 3.58 -1.04 -0.90 116.42 121.42 1fr0 h ASP 764 Ca 0.47 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.99 1fr0 h ASP 764 Cb 0.86 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1fr0 h ASP 764 CO -0.77 -0.15 -0.20 0.58 -2.88 0.00 0.00 179.24 175.82 1fr0 h VAL 765 N -0.09 0.59 -0.88 2.25 2.07 -0.19 0.47 116.25 120.47 1fr0 h VAL 765 Ca 0.12 -0.13 0.23 0.00 0.82 0.00 0.00 66.70 67.74 1fr0 h VAL 765 Cb 0.28 0.65 -0.15 0.00 -1.52 0.00 0.00 31.29 30.55 1fr0 h VAL 765 CO -0.29 0.03 0.08 -0.33 0.02 0.00 0.00 177.57 177.08 1fr0 h GLU 766 N -0.64 0.10 -0.27 1.57 4.39 -0.53 0.58 114.58 119.77 1fr0 h GLU 766 Ca -0.06 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1fr0 h GLU 766 Cb 0.48 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1fr0 h GLU 766 CO 0.10 0.06 0.06 0.28 -1.16 0.00 0.00 179.01 178.35 1fr0 h VAL 767 N 0.10 1.22 -0.05 3.13 2.07 -0.78 -2.81 116.25 119.14 1fr0 h VAL 767 Ca 0.52 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1fr0 h VAL 767 Cb 1.03 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1fr0 h VAL 767 CO -0.75 0.24 -0.39 0.25 0.02 0.00 0.00 177.57 176.93 1fr0 h LEU 768 N 0.27 -1.20 -0.32 2.57 5.85 0.23 -0.17 115.31 122.53 1fr0 h LEU 768 Ca 0.08 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1fr0 h LEU 768 Cb 0.30 0.48 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 1fr0 h LEU 768 CO 0.00 -0.43 -0.41 0.11 -0.34 0.00 0.00 178.44 177.38 1fr0 h LYS 769 N -0.52 -0.35 -0.96 1.25 1.57 -0.97 0.20 116.57 116.80 1fr0 h LYS 769 Ca 0.06 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.04 1fr0 h LYS 769 Cb 0.62 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 1fr0 h LYS 769 CO -0.33 -0.23 0.61 0.00 -0.57 0.00 0.00 179.45 178.92 1fr0 h ALA 770 N 0.40 1.80 0.62 3.86 0.00 -1.15 -1.69 119.26 123.10 1fr0 h ALA 770 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1fr0 h ALA 770 Cb 0.59 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1fr0 h ALA 770 CO -0.52 -0.11 -0.30 2.35 0.00 0.00 0.00 179.25 180.68 1fr0 h TRP 771 N 0.71 -0.77 -0.74 0.00 7.01 0.12 0.79 115.95 123.07 1fr0 h TRP 771 Ca 0.52 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.59 1fr0 h TRP 771 Cb 0.86 0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 28.13 1fr0 h TRP 771 CO -0.00 -0.47 0.48 0.28 -2.79 0.00 0.00 178.44 175.94 1fr0 h VAL 772 N -0.85 0.95 0.23 2.65 2.07 -0.61 0.57 116.25 121.25 1fr0 h VAL 772 Ca -0.08 -0.23 -0.30 0.00 0.82 0.00 0.00 66.70 66.91 1fr0 h VAL 772 Cb 0.64 0.23 0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1fr0 h VAL 772 CO 0.14 0.12 -1.34 0.00 0.02 0.00 0.00 177.57 176.51 1fr0 h ALA 773 N 1.62 -0.14 0.02 1.67 0.00 -1.00 -3.11 119.26 118.32 1fr0 h ALA 773 Ca 0.34 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fr0 h ALA 773 Cb 0.44 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fr0 h ALA 773 CO -0.12 0.62 -0.01 -0.22 0.00 0.00 0.00 179.25 179.53 1fr0 h LYS 774 N 0.02 -0.03 0.21 0.00 3.64 0.11 -3.38 116.57 117.15 1fr0 h LYS 774 Ca -0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1fr0 h LYS 774 Cb 2.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 1fr0 h LYS 774 CO 0.25 0.69 -0.18 0.00 -2.27 0.00 0.00 179.45 177.93 1fr0 h ALA 775 N 0.10 -0.93 -1.23 5.00 0.00 -0.04 -3.34 119.26 118.82 1fr0 h ALA 775 Ca -0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1fr0 h ALA 775 Cb 0.73 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1fr0 h ALA 775 CO 0.00 -0.94 1.22 0.99 0.00 0.00 0.00 179.25 180.52 1fr0 s THR 776 N -4.04 3.72 0.58 0.00 2.01 -1.18 -4.97 115.64 111.76 1fr0 s THR 776 Ca -0.07 -0.08 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 1fr0 s THR 776 Cb 0.01 -4.77 -0.09 0.00 0.01 0.00 0.00 72.50 67.67 1fr0 s THR 776 CO 0.22 -1.69 0.42 0.29 -0.69 0.00 0.00 174.62 173.17 1fr0 n LYS 777 N 9.14 0.41 -0.15 4.92 5.02 -1.26 -4.71 118.16 131.54 1fr0 n LYS 777 Ca 0.19 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1fr0 n LYS 777 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51