#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 0.00 -3.32 4.28 -1.04 -1.26 -5.07 114.28 107.87 1fr0 n THR 655 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1fr0 n THR 655 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.89 -1.86 0.01 -2.82 4.07 -1.26 -4.92 120.64 111.97 1fr0 n GLU 656 Ca 0.00 0.89 -0.13 0.00 -0.06 0.00 0.00 57.16 57.86 1fr0 n GLU 656 Cb 0.00 -5.39 -0.09 0.00 -0.06 0.00 0.00 31.44 25.90 1fr0 n GLU 656 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1fr0 h GLU 657 N -0.97 -0.05 0.00 5.31 4.81 -2.09 -3.47 114.58 118.12 1fr0 h GLU 657 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1fr0 h GLU 657 Cb 1.27 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1fr0 h GLU 657 CO 0.42 0.35 0.00 -1.71 -0.73 0.00 0.00 179.01 177.34 1fr0 n ASN 658 N -4.92 0.00 -3.38 1.04 2.85 -1.26 -5.01 115.26 104.57 1fr0 n ASN 658 Ca -0.08 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.15 1fr0 n ASN 658 Cb 0.22 0.09 -0.00 0.00 1.24 0.00 0.00 39.78 41.33 1fr0 n ASN 658 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1fr0 n SER 659 N -1.85 -3.89 0.02 1.20 7.64 -1.26 -4.82 113.62 110.66 1fr0 n SER 659 Ca 0.00 -0.41 -0.08 0.00 1.01 0.00 0.00 58.87 59.39 1fr0 n SER 659 Cb 0.00 -3.21 0.09 0.00 -1.01 0.00 0.00 64.21 60.08 1fr0 n SER 659 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1fr0 h LYS 660 N -1.05 0.48 -0.72 1.43 2.10 -1.96 -2.40 116.57 114.44 1fr0 h LYS 660 Ca -0.45 -0.29 0.21 0.00 -2.00 0.00 0.00 60.65 58.13 1fr0 h LYS 660 Cb 1.30 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.63 1fr0 h LYS 660 CO 0.55 0.88 0.65 0.77 -2.00 0.00 0.00 179.45 180.30 1fr0 h SER 661 N 0.37 0.00 0.00 7.07 0.02 -2.00 -0.14 113.55 118.87 1fr0 h SER 661 Ca 0.01 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.59 1fr0 h SER 661 Cb 1.03 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.50 1fr0 h SER 661 CO 0.09 0.00 -2.41 -0.62 -1.14 0.00 0.00 176.83 172.76 1fr0 n GLU 662 N -3.85 0.69 0.00 3.45 4.71 -1.10 -4.15 120.64 120.39 1fr0 n GLU 662 Ca 0.15 0.03 0.12 0.00 -0.01 0.00 0.00 57.16 57.45 1fr0 n GLU 662 Cb 0.91 -1.52 0.66 0.00 -1.01 0.00 0.00 31.44 30.49 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fr0 n ALA 663 N -2.88 2.31 -0.11 0.62 0.00 -0.27 -3.07 120.51 117.12 1fr0 n ALA 663 Ca -0.36 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1fr0 n ALA 663 Cb 1.11 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.09 1.06 -4.35 0.00 4.77 -0.23 -4.35 117.00 112.82 1fr0 n LEU 664 Ca 0.16 -0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.90 1fr0 n LEU 664 Cb 0.11 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1fr0 n LEU 664 CO 0.15 0.65 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.64 1fr0 s LEU 665 N -5.87 2.52 -0.58 2.23 1.43 -1.17 -2.55 118.68 114.68 1fr0 s LEU 665 Ca -0.19 -0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 1fr0 s LEU 665 Cb 0.07 -0.75 0.09 0.00 0.03 0.00 0.00 46.19 45.63 1fr0 s LEU 665 CO 0.75 -0.11 0.70 -0.62 0.23 0.00 0.00 176.35 177.30 1fr0 s ASP 666 N -3.10 6.19 0.12 2.29 -1.08 -0.93 -4.79 116.67 115.37 1fr0 s ASP 666 Ca 0.20 -1.28 -0.18 0.00 -0.52 0.00 0.00 52.55 50.77 1fr0 s ASP 666 Cb -0.03 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1fr0 s ASP 666 CO 0.07 -1.09 1.71 0.40 0.52 0.00 0.00 175.17 176.78 1fr0 h ILE 667 N 5.92 1.14 -0.14 4.11 5.03 -1.92 0.25 117.51 131.90 1fr0 h ILE 667 Ca -0.29 -0.38 -0.10 0.00 -0.12 0.00 0.00 64.86 63.97 1fr0 h ILE 667 Cb 1.09 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 1fr0 h ILE 667 CO 1.08 0.14 -0.28 1.55 -0.68 0.00 0.00 178.15 179.96 1fr0 h PRO 668 N 0.35 0.44 -0.36 2.37 0.13 -1.99 -1.56 132.00 131.39 1fr0 h PRO 668 Ca 0.10 -0.29 -0.07 0.00 -0.87 0.00 0.00 66.00 64.88 1fr0 h PRO 668 Cb 0.09 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.24 1fr0 h PRO 668 CO -0.01 0.89 -0.07 1.98 -0.23 0.00 0.00 178.00 180.55 1fr0 h MET 669 N 0.05 0.60 0.33 0.86 4.05 -1.96 -1.68 114.93 117.18 1fr0 h MET 669 Ca 0.01 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 1fr0 h MET 669 Cb 0.87 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 1fr0 h MET 669 CO 0.06 0.67 -0.16 -0.07 0.23 0.00 0.00 176.91 177.65 1fr0 h LEU 670 N 0.56 -0.37 -1.57 3.39 3.38 -0.91 -2.62 115.31 117.17 1fr0 h LEU 670 Ca 0.11 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.45 1fr0 h LEU 670 Cb 0.47 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1fr0 h LEU 670 CO 0.02 -0.11 0.83 1.05 0.09 0.00 0.00 178.44 180.33 1fr0 h GLU 671 N -0.75 0.17 0.93 1.13 -0.00 -1.31 0.21 114.58 114.96 1fr0 h GLU 671 Ca -0.04 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.36 59.26 1fr0 h GLU 671 Cb 0.34 -0.04 0.01 0.00 -0.00 0.00 0.00 28.75 29.06 1fr0 h GLU 671 CO 0.07 0.11 -0.45 1.96 -0.00 0.00 0.00 179.01 180.71 1fr0 h GLN 672 N 0.17 -1.21 -0.72 1.06 4.20 -1.22 -0.30 115.11 117.10 1fr0 h GLN 672 Ca 0.69 0.08 0.15 0.00 0.06 0.00 0.00 58.65 59.64 1fr0 h GLN 672 Cb 2.22 0.27 -0.13 0.00 0.30 0.00 0.00 27.48 30.14 1fr0 h GLN 672 CO -0.25 -0.80 -0.10 1.88 -0.67 0.00 0.00 178.83 178.89 1fr0 h TYR 673 N -1.30 -0.23 0.00 2.96 0.05 -0.58 1.31 116.97 119.18 1fr0 h TYR 673 Ca -0.13 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1fr0 h TYR 673 Cb 0.96 0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.91 1fr0 h TYR 673 CO 0.01 -0.27 -0.03 -0.07 -1.05 0.00 0.00 178.16 176.75 1fr0 h LEU 674 N 0.04 0.00 0.00 3.88 3.38 -1.22 0.79 115.31 122.19 1fr0 h LEU 674 Ca 0.37 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.20 1fr0 h LEU 674 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1fr0 h LEU 674 CO -0.69 0.03 -0.70 -0.08 0.09 0.00 0.00 178.44 177.08 1fr0 h GLU 675 N 0.00 0.00 0.00 1.13 4.22 0.33 -1.82 114.58 118.44 1fr0 h GLU 675 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 1fr0 h GLU 675 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1fr0 h GLU 675 CO 0.00 0.64 -0.34 -0.07 -2.18 0.00 0.00 179.01 177.06 1fr0 h LEU 676 N 0.00 0.00 0.00 1.64 3.38 0.10 -3.44 115.31 116.99 1fr0 h LEU 676 Ca -0.02 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1fr0 h LEU 676 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1fr0 h LEU 676 CO 0.08 1.04 -0.77 0.52 0.09 0.00 0.00 178.44 179.41 1fr0 n VAL 677 N -4.59 0.00 0.00 1.22 0.31 0.12 -5.10 118.33 110.30 1fr0 n VAL 677 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1fr0 n VAL 677 Cb 0.45 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 2.52 -0.65 0.00 2.92 0.00 -0.64 -4.51 105.19 104.83 1fr0 n GLY 678 Ca 0.00 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 43.88 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 0.93 0.16 1.61 -0.04 -1.26 -4.05 135.00 132.35 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 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1fr0 n PRO 679 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1fr0 h LYS 680 N 0.00 -0.41 0.00 0.54 1.79 -1.96 -0.85 116.57 115.68 1fr0 h LYS 680 Ca 0.00 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1fr0 h LYS 680 Cb 0.00 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1fr0 h LYS 680 CO 0.00 -0.27 -0.10 1.37 -1.08 0.00 0.00 179.45 179.37 1fr0 h LEU 681 N -0.57 0.00 0.01 2.94 8.10 -1.90 -2.56 115.31 121.34 1fr0 h LEU 681 Ca -0.04 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.67 1fr0 h LEU 681 Cb 0.33 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.57 1fr0 h LEU 681 CO 0.07 0.10 -1.10 0.40 -4.11 0.00 0.00 178.44 173.80 1fr0 h ILE 682 N 0.00 1.30 0.01 0.15 2.04 -1.70 -1.30 117.51 118.01 1fr0 h ILE 682 Ca -0.00 -2.36 -0.20 0.00 1.00 0.00 0.00 64.86 63.30 1fr0 h ILE 682 Cb 0.82 2.50 0.02 0.00 -0.74 0.00 0.00 36.82 39.41 1fr0 h ILE 682 CO 0.01 0.72 -0.77 0.74 0.00 0.00 0.00 178.15 178.86 1fr0 h THR 683 N 0.33 1.38 0.32 -0.27 2.02 -1.14 -2.51 112.91 113.04 1fr0 h THR 683 Ca -0.14 -2.16 -0.02 0.00 0.77 0.00 0.00 66.41 64.86 1fr0 h THR 683 Cb 1.76 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 70.73 1fr0 h THR 683 CO 0.21 0.64 -0.15 0.44 0.37 0.00 0.00 175.52 177.03 1fr0 h ASP 684 N 0.05 -0.36 -0.64 4.18 5.19 -1.56 -2.10 116.42 121.18 1fr0 h ASP 684 Ca -0.10 -0.16 0.12 0.00 -0.62 0.00 0.00 57.03 56.26 1fr0 h ASP 684 Cb 1.47 0.09 -0.09 0.00 0.18 0.00 0.00 39.33 40.98 1fr0 h ASP 684 CO 0.15 0.10 0.19 1.23 -3.12 0.00 0.00 179.24 177.79 1fr0 h GLY 685 N -0.96 0.88 0.94 2.75 0.00 -1.38 -1.42 103.07 103.87 1fr0 h GLY 685 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1fr0 h GLY 685 CO 0.07 -0.09 0.13 -2.00 0.00 0.00 0.00 176.54 174.65 1fr0 h LEU 686 N 0.33 0.20 -0.08 3.11 5.85 -1.49 -1.87 115.31 121.37 1fr0 h LEU 686 Ca 0.34 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1fr0 h LEU 686 Cb 0.49 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1fr0 h LEU 686 CO -0.38 0.15 -0.31 0.00 -0.34 0.00 0.00 178.44 177.56 1fr0 h ALA 687 N 1.10 -0.70 -0.33 1.25 0.00 -0.54 0.39 119.26 120.45 1fr0 h ALA 687 Ca 0.09 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1fr0 h ALA 687 Cb 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1fr0 h ALA 687 CO -0.05 -0.81 0.39 -0.39 0.00 0.00 0.00 179.25 178.40 1fr0 h VAL 688 N -0.33 0.34 0.18 0.00 -1.51 -1.41 -1.96 116.25 111.57 1fr0 h VAL 688 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.48 1fr0 h VAL 688 Cb 0.39 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1fr0 h VAL 688 CO -0.25 0.00 -0.09 0.15 -1.23 0.00 0.00 177.57 176.15 1fr0 h PHE 689 N 0.00 -0.23 -0.13 5.19 3.04 0.49 -2.49 116.94 122.81 1fr0 h PHE 689 Ca 0.16 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.14 1fr0 h PHE 689 Cb 0.94 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1fr0 h PHE 689 CO 0.00 0.13 0.28 1.05 -2.02 0.00 0.00 178.31 177.76 1fr0 h GLU 690 N -0.95 0.00 0.12 1.11 4.11 0.03 0.24 114.58 119.24 1fr0 h GLU 690 Ca -0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.25 1fr0 h GLU 690 Cb 0.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.73 1fr0 h GLU 690 CO 0.04 0.00 -0.67 -0.22 0.07 0.00 0.00 179.01 178.23 1fr0 h LYS 691 N 0.00 0.25 -0.42 1.06 3.11 -1.40 -3.28 116.57 115.88 1fr0 h LYS 691 Ca 0.06 -0.42 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 1fr0 h LYS 691 Cb 0.63 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1fr0 h LYS 691 CO -0.00 1.20 0.00 -1.33 -2.81 0.00 0.00 179.45 176.51 1fr0 n MET 692 N -4.21 1.99 -0.00 1.90 2.81 -0.47 -4.24 117.12 114.90 1fr0 n MET 692 Ca -0.13 -1.38 -0.13 0.00 -1.81 0.00 0.00 57.70 54.25 1fr0 n MET 692 Cb 0.76 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.82 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 2.18 -0.01 -0.05 0.03 4.05 -0.64 -2.29 114.93 118.20 1fr0 h MET 693 Ca 0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1fr0 h MET 693 Cb 0.59 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1fr0 h MET 693 CO 0.03 0.43 -0.56 -1.00 0.23 0.00 0.00 176.91 176.04 1fr0 h PRO 694 N -0.45 0.14 -0.60 0.39 0.13 -1.79 -2.74 132.00 127.09 1fr0 h PRO 694 Ca -0.00 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.96 1fr0 h PRO 694 Cb 0.44 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1fr0 h PRO 694 CO 0.00 0.66 0.07 0.78 -0.23 0.00 0.00 178.00 179.28 1fr0 h GLY 695 N 1.52 1.07 0.58 1.56 0.00 -1.76 0.11 103.07 106.14 1fr0 h GLY 695 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 1fr0 h GLY 695 CO 0.08 0.66 -0.28 -0.97 0.00 0.00 0.00 176.54 176.03 1fr0 h TYR 696 N 0.93 -0.72 -0.58 5.60 0.05 -1.24 -1.75 116.97 119.26 1fr0 h TYR 696 Ca 0.18 -0.02 0.13 0.00 0.05 0.00 0.00 58.73 59.08 1fr0 h TYR 696 Cb 0.44 0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 1fr0 h TYR 696 CO 0.03 -0.45 0.40 -0.39 -1.05 0.00 0.00 178.16 176.70 1fr0 h VAL 697 N -1.06 0.81 0.73 -2.88 -1.51 -1.50 0.75 116.25 111.58 1fr0 h VAL 697 Ca -0.08 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.28 1fr0 h VAL 697 Cb 0.59 0.57 0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1fr0 h VAL 697 CO 0.13 0.04 -0.35 -1.28 -1.23 0.00 0.00 177.57 174.88 1fr0 h SER 698 N 0.21 -0.83 -0.86 4.19 0.87 -0.66 -0.54 113.55 115.93 1fr0 h SER 698 Ca 0.27 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1fr0 h SER 698 Cb 0.79 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 1fr0 h SER 698 CO -0.05 -0.52 0.56 0.58 -0.53 0.00 0.00 176.83 176.87 1fr0 h VAL 699 N -1.12 1.08 -0.20 2.23 2.07 -0.87 -1.85 116.25 117.60 1fr0 h VAL 699 Ca -0.10 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1fr0 h VAL 699 Cb 0.75 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1fr0 h VAL 699 CO 0.16 0.18 0.03 0.25 0.02 0.00 0.00 177.57 178.22 1fr0 h LEU 700 N 0.99 -0.01 -0.07 2.57 5.85 -0.72 -0.94 115.31 122.98 1fr0 h LEU 700 Ca 0.36 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.14 1fr0 h LEU 700 Cb 0.16 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1fr0 h LEU 700 CO -0.13 0.02 -0.05 -0.08 -0.34 0.00 0.00 178.44 177.87 1fr0 h GLU 701 N 0.11 -0.06 -0.90 1.25 4.81 -0.31 -0.74 114.58 118.74 1fr0 h GLU 701 Ca 0.09 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.50 1fr0 h GLU 701 Cb 0.09 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1fr0 h GLU 701 CO -0.13 -0.04 0.58 1.03 -0.73 0.00 0.00 179.01 179.73 1fr0 h SER 702 N -0.06 0.55 -0.16 1.04 0.87 -0.97 -0.33 113.55 114.49 1fr0 h SER 702 Ca 0.04 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1fr0 h SER 702 Cb 0.12 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1fr0 h SER 702 CO -0.10 0.24 -0.04 0.78 -0.53 0.00 0.00 176.83 177.18 1fr0 h ASN 703 N 0.56 0.31 -0.69 6.23 4.21 0.15 -2.15 115.58 124.21 1fr0 h ASN 703 Ca 0.47 -0.37 0.15 0.00 1.21 0.00 0.00 56.30 57.76 1fr0 h ASN 703 Cb 0.94 -0.08 -0.11 0.00 -1.12 0.00 0.00 38.32 37.94 1fr0 h ASN 703 CO -0.21 0.61 0.08 0.25 -1.29 0.00 0.00 177.43 176.87 1fr0 h LEU 704 N 0.01 -0.16 -1.67 1.61 7.12 0.29 1.15 115.31 123.66 1fr0 h LEU 704 Ca 0.04 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 1fr0 h LEU 704 Cb 0.47 0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1fr0 h LEU 704 CO 0.02 -0.09 -0.09 0.74 -0.13 0.00 0.00 178.44 178.89 1fr0 h THR 705 N 0.18 0.28 -0.01 1.05 2.02 -1.30 -1.69 112.91 113.44 1fr0 h THR 705 Ca 0.38 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1fr0 h THR 705 Cb 0.64 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1fr0 h THR 705 CO -0.54 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.34 1fr0 n ALA 706 N -2.17 2.75 -3.07 6.16 0.00 0.36 -4.94 120.51 119.61 1fr0 n ALA 706 Ca -0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 1fr0 n ALA 706 Cb 0.29 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.69 1fr0 n ALA 706 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1fr0 n GLN 707 N 0.07 -4.20 -2.76 0.00 0.00 0.68 -4.94 117.38 106.24 1fr0 n GLN 707 Ca 0.16 0.44 -0.42 0.00 -0.00 0.00 0.00 57.00 57.18 1fr0 n GLN 707 Cb 0.39 -4.30 0.01 0.00 0.00 0.00 0.00 30.24 26.34 1fr0 n GLN 707 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1fr0 n ASP 708 N -0.88 6.48 -0.18 1.69 9.92 -0.82 -4.79 116.55 127.96 1fr0 n ASP 708 Ca 0.00 -3.40 0.08 0.00 -0.53 0.00 0.00 54.79 50.94 1fr0 n ASP 708 Cb 0.53 -1.29 0.38 0.00 -0.64 0.00 0.00 41.12 40.10 1fr0 n ASP 708 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1fr0 h LYS 709 N 5.20 0.68 0.05 -1.24 3.64 -1.92 -1.17 116.57 121.81 1fr0 h LYS 709 Ca 0.33 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1fr0 h LYS 709 Cb 0.54 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1fr0 h LYS 709 CO 1.37 0.45 -0.03 0.87 -2.27 0.00 0.00 179.45 179.84 1fr0 h LYS 710 N 0.70 -0.07 -0.83 1.90 1.57 -1.99 -0.62 116.57 117.23 1fr0 h LYS 710 Ca 0.33 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.32 1fr0 h LYS 710 Cb 0.37 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 32.56 1fr0 h LYS 710 CO -0.11 -0.05 0.15 0.78 -0.57 0.00 0.00 179.45 179.65 1fr0 h GLY 711 N -0.10 1.15 0.69 3.86 0.00 -1.96 -0.47 103.07 106.24 1fr0 h GLY 711 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1fr0 h GLY 711 CO 0.01 -0.33 -0.38 -2.22 0.00 0.00 0.00 176.54 173.62 1fr0 h ILE 712 N 0.18 0.00 -0.62 2.60 2.04 -1.24 -0.09 117.51 120.39 1fr0 h ILE 712 Ca 0.49 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.48 1fr0 h ILE 712 Cb 0.94 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.91 1fr0 h ILE 712 CO -0.65 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 177.97 1fr0 h VAL 713 N -0.99 0.41 0.13 1.67 2.07 -0.24 0.17 116.25 119.48 1fr0 h VAL 713 Ca -0.09 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1fr0 h VAL 713 Cb 0.78 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1fr0 h VAL 713 CO 0.12 0.01 -0.16 -0.08 0.02 0.00 0.00 177.57 177.47 1fr0 h GLU 714 N 0.03 -0.33 0.00 1.57 4.57 -0.96 0.12 114.58 119.59 1fr0 h GLU 714 Ca 0.31 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1fr0 h GLU 714 Cb 0.48 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1fr0 h GLU 714 CO -0.61 -0.22 0.00 0.39 -1.18 0.00 0.00 179.01 177.40 1fr0 n GLU 715 N -5.29 0.04 -0.00 1.92 -0.58 -0.06 -1.89 120.64 114.78 1fr0 n GLU 715 Ca -0.07 0.29 -0.01 0.00 -0.42 0.00 0.00 57.16 56.95 1fr0 n GLU 715 Cb 0.20 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1fr0 h GLY 716 N 1.68 -0.07 2.00 0.62 0.00 0.14 -2.60 103.07 104.84 1fr0 h GLY 716 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1fr0 h GLY 716 CO 0.00 -0.03 -0.07 1.12 0.00 0.00 0.00 176.54 177.57 1fr0 h HIS 717 N -0.63 0.00 -0.01 5.60 2.07 -1.49 -1.77 115.15 118.92 1fr0 h HIS 717 Ca -0.01 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.40 1fr0 h HIS 717 Cb 0.05 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.04 1fr0 h HIS 717 CO 0.01 0.07 -0.42 -0.22 -3.07 0.00 0.00 177.93 174.30 1fr0 h LYS 718 N 0.00 0.30 0.04 5.12 1.63 -1.51 -1.97 116.57 120.18 1fr0 h LYS 718 Ca -0.00 -0.31 -0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1fr0 h LYS 718 Cb 0.59 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1fr0 h LYS 718 CO 0.01 1.01 -0.02 0.82 -3.45 0.00 0.00 179.45 177.82 1fr0 h ILE 719 N -0.29 0.00 -0.20 2.00 5.03 -1.39 -2.65 117.51 120.01 1fr0 h ILE 719 Ca -0.05 -0.41 0.06 0.00 -0.12 0.00 0.00 64.86 64.33 1fr0 h ILE 719 Cb 1.15 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 1fr0 h ILE 719 CO 0.08 0.00 0.29 0.11 -0.68 0.00 0.00 178.15 177.95 1fr0 h LYS 720 N -0.46 0.00 0.08 2.37 1.57 -1.52 0.26 116.57 118.87 1fr0 h LYS 720 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1fr0 h LYS 720 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1fr0 h LYS 720 CO 0.01 0.00 -0.04 0.78 -0.57 0.00 0.00 179.45 179.63 1fr0 h GLY 721 N 0.00 -0.11 0.87 3.86 0.00 -1.43 -2.10 103.07 104.16 1fr0 h GLY 721 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1fr0 h GLY 721 CO -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 176.54 176.56 1fr0 h ALA 722 N 0.10 0.33 -0.72 3.60 0.00 -0.86 -2.54 119.26 119.16 1fr0 h ALA 722 Ca -0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1fr0 h ALA 722 Cb 0.57 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1fr0 h ALA 722 CO 0.02 -0.01 0.48 0.00 0.00 0.00 0.00 179.25 179.73 1fr0 h ALA 723 N 0.88 1.98 0.00 0.00 0.00 -1.07 0.31 119.26 121.35 1fr0 h ALA 723 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1fr0 h ALA 723 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1fr0 h ALA 723 CO 0.00 -0.15 -0.08 0.78 0.00 0.00 0.00 179.25 179.80 1fr0 h GLY 724 N 0.51 0.00 2.00 0.00 0.00 -0.94 -1.18 103.07 103.46 1fr0 h GLY 724 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.56 1fr0 h GLY 724 CO -0.12 0.00 -0.54 1.76 0.00 0.00 0.00 176.54 177.65 1fr0 h SER 725 N 0.00 0.00 0.19 0.19 0.02 -0.32 -2.43 113.55 111.19 1fr0 h SER 725 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fr0 h SER 725 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1fr0 h SER 725 CO 0.01 0.54 0.00 0.52 -1.14 0.00 0.00 176.83 176.76 1fr0 n VAL 726 N -3.65 0.01 0.00 2.27 0.31 -0.51 -4.80 118.33 111.96 1fr0 n VAL 726 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1fr0 n VAL 726 Cb 0.59 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 1.05 1.12 3.05 2.92 0.00 -0.92 -4.95 105.19 107.46 1fr0 n GLY 727 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 6.21 0.18 0.99 4.77 0.31 -2.20 117.00 127.26 1fr0 n LEU 728 Ca 0.00 -4.66 0.02 0.00 -0.03 0.00 0.00 56.01 51.34 1fr0 n LEU 728 Cb 0.00 -1.50 0.32 0.00 -2.33 0.00 0.00 43.42 39.92 1fr0 n LEU 728 CO 0.00 1.23 0.68 0.08 -1.33 0.00 0.00 177.39 178.06 1fr0 h ARG 729 N 6.12 0.00 0.51 3.23 0.11 -1.69 -2.79 114.38 119.87 1fr0 h ARG 729 Ca 0.35 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.41 1fr0 h ARG 729 Cb 0.70 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 1fr0 h ARG 729 CO 1.48 0.41 -0.29 1.25 0.10 0.00 0.00 179.97 182.92 1fr0 h HIS 730 N 0.00 -0.77 -0.36 4.08 2.76 -1.69 -2.06 115.15 117.11 1fr0 h HIS 730 Ca -0.00 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1fr0 h HIS 730 Cb 0.73 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 1fr0 h HIS 730 CO 0.00 -0.46 0.22 -0.07 -1.30 0.00 0.00 177.93 176.33 1fr0 h LEU 731 N -0.76 0.37 -0.35 0.26 3.38 -1.81 -2.71 115.31 113.69 1fr0 h LEU 731 Ca -0.06 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1fr0 h LEU 731 Cb 0.61 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1fr0 h LEU 731 CO 0.07 0.27 -0.42 -0.61 0.09 0.00 0.00 178.44 177.84 1fr0 h GLN 732 N 0.46 -0.34 -0.58 1.13 4.15 -1.28 -0.06 115.11 118.59 1fr0 h GLN 732 Ca 0.14 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.70 1fr0 h GLN 732 Cb -0.02 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.65 1fr0 h GLN 732 CO -0.05 -0.23 0.05 1.96 -1.93 0.00 0.00 178.83 178.63 1fr0 h GLN 733 N -0.35 0.17 -0.05 1.69 1.08 -1.16 -1.80 115.11 114.68 1fr0 h GLN 733 Ca 0.13 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1fr0 h GLN 733 Cb 0.59 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.92 1fr0 h GLN 733 CO -0.54 0.11 -0.36 -0.07 -0.95 0.00 0.00 178.83 177.02 1fr0 h LEU 734 N 0.17 -1.11 -0.42 1.46 4.07 -0.74 -2.39 115.31 116.36 1fr0 h LEU 734 Ca 0.30 0.15 0.05 0.00 0.08 0.00 0.00 57.88 58.46 1fr0 h LEU 734 Cb 0.47 0.45 -0.08 0.00 1.08 0.00 0.00 40.66 42.58 1fr0 h LEU 734 CO -0.45 -0.41 -0.56 1.23 -1.08 0.00 0.00 178.44 177.17 1fr0 h GLY 735 N -0.49 -1.00 -0.82 0.83 0.00 -0.44 0.21 103.07 101.36 1fr0 h GLY 735 Ca 0.07 0.72 0.23 0.00 0.00 0.00 0.00 47.33 48.35 1fr0 h GLY 735 CO -0.32 -0.12 -0.04 -1.61 0.00 0.00 0.00 176.54 174.45 1fr0 h GLN 736 N -0.39 0.03 -0.49 4.80 5.75 -1.06 0.60 115.11 124.34 1fr0 h GLN 736 Ca 0.07 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1fr0 h GLN 736 Cb 0.59 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1fr0 h GLN 736 CO -0.60 0.02 -0.14 1.96 -2.65 0.00 0.00 178.83 177.42 1fr0 h GLN 737 N 0.03 0.95 0.00 1.69 7.50 -0.38 -2.18 115.11 122.72 1fr0 h GLN 737 Ca 0.52 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 59.30 1fr0 h GLN 737 Cb 0.99 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.47 1fr0 h GLN 737 CO -0.88 1.04 0.00 0.82 -1.50 0.00 0.00 178.83 178.31 1fr0 h ILE 738 N 0.81 0.00 -0.33 2.54 2.04 0.30 -0.79 117.51 122.08 1fr0 h ILE 738 Ca 0.12 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1fr0 h ILE 738 Cb 0.70 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1fr0 h ILE 738 CO 0.05 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.31 1fr0 n GLN 739 N -2.44 2.36 -2.64 2.37 3.00 -0.36 -4.11 117.38 115.56 1fr0 n GLN 739 Ca -0.01 -1.42 -0.13 0.00 -0.01 0.00 0.00 57.00 55.44 1fr0 n GLN 739 Cb 0.07 -1.74 0.02 0.00 0.00 0.00 0.00 30.24 28.59 1fr0 n GLN 739 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1fr0 n SER 740 N 0.10 2.05 -3.02 1.08 7.64 -0.30 -4.97 113.62 116.19 1fr0 n SER 740 Ca 0.18 -2.91 -0.10 0.00 1.01 0.00 0.00 58.87 57.06 1fr0 n SER 740 Cb 0.81 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1fr0 n SER 740 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1fr0 n PRO 741 N -0.13 0.93 0.00 1.43 -0.04 -1.26 -2.78 135.00 133.15 1fr0 n PRO 741 Ca 0.15 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1fr0 n PRO 741 Cb 0.79 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1fr0 n PRO 741 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fr0 n ASP 742 N 4.49 0.00 -4.77 3.54 5.75 -1.26 -5.01 116.55 119.29 1fr0 n ASP 742 Ca 0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.58 1fr0 n ASP 742 Cb 0.07 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1fr0 s LEU 743 N -0.36 4.22 0.16 -2.12 1.02 -1.12 -4.86 118.68 115.62 1fr0 s LEU 743 Ca 0.00 2.76 0.19 0.00 0.02 0.00 0.00 54.13 57.10 1fr0 s LEU 743 Cb 0.00 -3.86 0.81 0.00 0.02 0.00 0.00 46.19 43.15 1fr0 s LEU 743 CO 0.00 -0.90 1.57 -0.81 0.02 0.00 0.00 176.35 176.23 1fr0 n PRO 744 N 0.14 0.11 -0.02 1.29 -0.04 -1.26 -1.99 135.00 133.24 1fr0 n PRO 744 Ca 0.03 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1fr0 n PRO 744 Cb 0.43 -1.73 -0.17 0.00 -0.04 0.00 0.00 33.50 31.99 1fr0 n PRO 744 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fr0 n ALA 745 N -1.66 2.72 0.17 0.55 0.00 -1.26 -4.43 120.51 116.60 1fr0 n ALA 745 Ca 0.02 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 1fr0 n ALA 745 Cb 0.17 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.43 -0.30 0.00 7.01 -1.76 0.20 115.95 120.67 1fr0 h TRP 746 Ca -0.04 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.04 1fr0 h TRP 746 Cb 1.08 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.27 1fr0 h TRP 746 CO 0.00 -0.10 0.67 1.49 -2.79 0.00 0.00 178.44 177.71 1fr0 h GLU 747 N -0.83 0.00 -0.01 2.65 4.22 -1.77 1.09 114.58 119.93 1fr0 h GLU 747 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1fr0 h GLU 747 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1fr0 h GLU 747 CO 0.08 0.00 -0.12 -0.25 -2.18 0.00 0.00 179.01 176.53 1fr0 n ASP 748 N -3.10 1.82 -0.00 1.04 9.92 -0.96 -4.47 116.55 120.80 1fr0 n ASP 748 Ca 0.06 -1.41 0.03 0.00 -0.53 0.00 0.00 54.79 52.94 1fr0 n ASP 748 Cb 0.79 0.21 -0.04 0.00 -0.64 0.00 0.00 41.12 41.44 1fr0 n ASP 748 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1fr0 n ASN 749 N 0.34 2.00 -0.09 -2.24 3.02 0.34 -4.57 115.26 114.05 1fr0 n ASN 749 Ca 0.07 -0.31 0.08 0.00 -0.03 0.00 0.00 54.58 54.39 1fr0 n ASN 749 Cb 0.31 1.15 0.43 0.00 -0.61 0.00 0.00 39.78 41.06 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 1.00 -0.42 2.41 2.07 -0.62 0.17 116.25 120.86 1fr0 h VAL 750 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1fr0 h VAL 750 Cb 0.22 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1fr0 h VAL 750 CO 0.00 0.10 0.23 1.23 0.02 0.00 0.00 177.57 179.15 1fr0 h GLY 751 N 0.56 0.63 2.00 2.17 0.00 -1.83 -2.24 103.07 104.37 1fr0 h GLY 751 Ca 0.25 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1fr0 h GLY 751 CO -0.07 0.28 -0.60 -2.09 0.00 0.00 0.00 176.54 174.06 1fr0 h GLU 752 N 0.55 0.00 -0.61 4.80 4.57 -1.60 -2.74 114.58 119.55 1fr0 h GLU 752 Ca 0.15 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1fr0 h GLU 752 Cb 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1fr0 h GLU 752 CO -0.02 0.60 0.30 2.35 -1.18 0.00 0.00 179.01 181.05 1fr0 h TRP 753 N 0.00 0.86 0.01 0.92 2.91 -0.24 0.11 115.95 120.53 1fr0 h TRP 753 Ca -0.01 -0.04 -0.10 0.00 1.13 0.00 0.00 58.89 59.87 1fr0 h TRP 753 Cb 1.30 -0.27 0.01 0.00 -0.51 0.00 0.00 29.16 29.69 1fr0 h TRP 753 CO 0.00 0.65 -0.40 0.82 -1.03 0.00 0.00 178.44 178.48 1fr0 h ILE 754 N 0.83 1.51 0.60 2.65 2.04 -1.44 -2.60 117.51 121.10 1fr0 h ILE 754 Ca 0.21 -2.05 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 1fr0 h ILE 754 Cb 0.10 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1fr0 h ILE 754 CO -0.03 0.57 -0.35 -0.08 0.00 0.00 0.00 178.15 178.26 1fr0 h GLU 755 N -0.38 -0.87 0.23 2.37 4.57 -1.43 -1.48 114.58 117.60 1fr0 h GLU 755 Ca -0.05 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1fr0 h GLU 755 Cb 1.16 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.91 1fr0 h GLU 755 CO 0.08 -0.58 -0.47 1.49 -1.18 0.00 0.00 179.01 178.35 1fr0 h GLU 756 N -0.90 -0.74 -0.95 1.92 4.81 -0.91 -1.49 114.58 116.33 1fr0 h GLU 756 Ca -0.08 0.05 0.29 0.00 -0.13 0.00 0.00 59.36 59.49 1fr0 h GLU 756 Cb 0.72 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.12 1fr0 h GLU 756 CO 0.09 -0.49 0.42 1.98 -0.73 0.00 0.00 179.01 180.28 1fr0 h MET 757 N -0.76 0.26 0.49 1.92 4.05 -1.43 -1.45 114.93 118.02 1fr0 h MET 757 Ca -0.02 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1fr0 h MET 757 Cb 0.72 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1fr0 h MET 757 CO -0.19 0.17 -0.40 -0.22 0.23 0.00 0.00 176.91 176.51 1fr0 h LYS 758 N 0.27 -0.83 -3.54 0.39 3.64 -0.21 0.46 116.57 116.75 1fr0 h LYS 758 Ca 0.66 0.06 -0.70 0.00 -1.27 0.00 0.00 60.65 59.40 1fr0 h LYS 758 Cb 1.44 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1fr0 h LYS 758 CO -0.64 -0.55 3.35 -1.91 -2.27 0.00 0.00 179.45 177.43 1fr0 n GLU 759 N -4.84 3.28 0.00 1.90 4.07 -0.55 -3.79 120.64 120.72 1fr0 n GLU 759 Ca -0.10 -2.52 0.00 0.00 -0.06 0.00 0.00 57.16 54.48 1fr0 n GLU 759 Cb 0.38 -3.06 0.00 0.00 -0.06 0.00 0.00 31.44 28.70 1fr0 n GLU 759 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1fr0 n GLU 760 N 4.86 0.00 -0.26 5.31 -0.58 -1.18 -4.95 120.64 123.84 1fr0 n GLU 760 Ca 0.62 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 57.43 1fr0 n GLU 760 Cb 0.32 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.39 1fr0 n GLU 760 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 1fr0 h TRP 761 N 0.00 0.46 -0.01 -0.32 5.08 -1.00 -1.16 115.95 119.00 1fr0 h TRP 761 Ca 0.00 0.04 0.03 0.00 1.08 0.00 0.00 58.89 60.04 1fr0 h TRP 761 Cb 0.00 -0.08 -0.05 0.00 -3.00 0.00 0.00 29.16 26.02 1fr0 h TRP 761 CO 0.00 -0.00 -0.33 -0.09 -1.28 0.00 0.00 178.44 176.73 1fr0 h ARG 762 N 0.38 -0.46 -0.82 0.12 2.43 -1.80 -1.04 114.38 113.19 1fr0 h ARG 762 Ca 0.44 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.82 1fr0 h ARG 762 Cb 0.72 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.22 1fr0 h ARG 762 CO -0.46 -0.31 -0.10 1.25 -1.51 0.00 0.00 179.97 178.84 1fr0 h HIS 763 N -0.48 -0.25 -0.67 2.20 2.76 -1.59 0.57 115.15 117.70 1fr0 h HIS 763 Ca 0.06 0.07 0.14 0.00 -2.20 0.00 0.00 60.37 58.44 1fr0 h HIS 763 Cb 0.57 0.24 -0.10 0.00 1.55 0.00 0.00 27.41 29.67 1fr0 h HIS 763 CO -0.36 -0.33 0.11 -0.44 -1.30 0.00 0.00 177.93 175.62 1fr0 h ASP 764 N 0.04 -0.07 -0.31 3.26 5.19 -0.89 -0.41 116.42 123.22 1fr0 h ASP 764 Ca 0.43 0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.89 1fr0 h ASP 764 Cb 0.73 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 1fr0 h ASP 764 CO -0.79 -0.05 -0.16 0.58 -3.12 0.00 0.00 179.24 175.70 1fr0 h VAL 765 N 0.22 1.29 0.39 -1.35 2.07 0.36 -0.91 116.25 118.33 1fr0 h VAL 765 Ca 0.36 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1fr0 h VAL 765 Cb 0.59 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1fr0 h VAL 765 CO -0.49 0.41 -0.52 -0.33 0.02 0.00 0.00 177.57 176.66 1fr0 h GLU 766 N 0.42 -0.91 -0.90 1.57 5.08 0.57 -1.67 114.58 118.75 1fr0 h GLU 766 Ca 0.07 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1fr0 h GLU 766 Cb 0.69 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1fr0 h GLU 766 CO 0.05 -0.61 0.59 0.28 -1.00 0.00 0.00 179.01 178.32 1fr0 h VAL 767 N -0.94 1.18 -0.37 3.13 2.07 -1.19 -2.69 116.25 117.45 1fr0 h VAL 767 Ca -0.05 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1fr0 h VAL 767 Cb 0.85 -0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1fr0 h VAL 767 CO -0.13 0.21 -0.50 0.25 0.02 0.00 0.00 177.57 177.42 1fr0 h LEU 768 N 1.16 -1.65 -0.30 2.57 5.85 -0.48 0.17 115.31 122.63 1fr0 h LEU 768 Ca 0.35 0.23 0.06 0.00 0.84 0.00 0.00 57.88 59.36 1fr0 h LEU 768 Cb -0.05 0.69 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1fr0 h LEU 768 CO -0.10 -0.40 -0.08 0.50 -0.34 0.00 0.00 178.44 178.02 1fr0 h LYS 769 N -0.39 -0.00 -0.34 1.25 3.64 -1.03 0.28 116.57 119.98 1fr0 h LYS 769 Ca 0.10 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 1fr0 h LYS 769 Cb 0.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1fr0 h LYS 769 CO -0.57 -0.00 0.36 0.00 -2.27 0.00 0.00 179.45 176.97 1fr0 h ALA 770 N 1.30 2.03 -0.10 5.00 0.00 -0.79 -0.46 119.26 126.24 1fr0 h ALA 770 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1fr0 h ALA 770 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fr0 h ALA 770 CO -0.31 -0.53 -0.19 2.35 0.00 0.00 0.00 179.25 180.57 1fr0 h TRP 771 N 0.00 0.38 -0.02 0.00 7.01 0.24 -0.44 115.95 123.12 1fr0 h TRP 771 Ca 0.16 -0.14 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 1fr0 h TRP 771 Cb 0.87 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 1fr0 h TRP 771 CO 0.00 0.80 -0.18 0.28 -2.79 0.00 0.00 178.44 176.54 1fr0 h VAL 772 N -0.14 1.14 0.23 2.65 2.07 -0.68 1.09 116.25 122.61 1fr0 h VAL 772 Ca 0.00 -0.68 -0.31 0.00 0.82 0.00 0.00 66.70 66.54 1fr0 h VAL 772 Cb 0.77 1.34 0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1fr0 h VAL 772 CO 0.04 0.20 -1.36 0.00 0.02 0.00 0.00 177.57 176.46 1fr0 h ALA 773 N 1.79 -0.14 0.14 1.67 0.00 -1.31 -3.34 119.26 118.07 1fr0 h ALA 773 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 54.91 53.79 1fr0 h ALA 773 Cb 0.34 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fr0 h ALA 773 CO 0.02 0.64 -1.40 0.87 0.00 0.00 0.00 179.25 179.39 1fr0 h LYS 774 N 0.04 0.29 0.00 0.00 1.57 -0.85 -3.41 116.57 114.20 1fr0 h LYS 774 Ca -0.24 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 1fr0 h LYS 774 Cb 2.07 0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.56 1fr0 h LYS 774 CO 0.25 1.23 0.00 0.00 -0.57 0.00 0.00 179.45 180.36 1fr0 n ALA 775 N -2.90 0.00 -3.59 3.86 0.00 0.37 -4.85 120.51 113.40 1fr0 n ALA 775 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1fr0 n ALA 775 Cb 0.93 0.03 0.05 0.00 0.00 0.00 0.00 19.45 20.45 1fr0 n ALA 775 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fr0 n THR 776 N -0.16 -5.98 -1.58 0.00 -1.04 -1.25 -4.80 114.28 99.48 1fr0 n THR 776 Ca 0.00 -0.83 -0.53 0.00 -2.04 0.00 0.00 64.05 60.65 1fr0 n THR 776 Cb 0.00 -4.59 -0.06 0.00 -1.82 0.00 0.00 70.33 63.86 1fr0 n THR 776 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1fr0 n LYS 777 N -4.01 1.01 0.00 -2.82 5.02 -1.26 -5.18 118.16 110.91 1fr0 n LYS 777 Ca -0.19 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1fr0 n LYS 777 Cb 0.64 -1.98 0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05