#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 1.24 -0.20 12.58 -2.24 -1.26 -4.59 114.28 119.81 1fr0 n THR 655 Ca 0.00 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 1fr0 n THR 655 Cb 0.00 -0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 67.20 1fr0 n THR 655 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1fr0 h GLU 656 N 0.00 -0.29 0.00 -0.78 5.08 -2.03 -3.43 114.58 113.13 1fr0 h GLU 656 Ca -0.49 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1fr0 h GLU 656 Cb 1.92 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1fr0 h GLU 656 CO -0.03 -0.20 0.00 -1.91 -1.00 0.00 0.00 179.01 175.88 1fr0 n GLU 657 N -5.32 0.00 0.00 2.33 2.13 -1.26 -0.03 120.64 118.49 1fr0 n GLU 657 Ca -0.02 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.80 1fr0 n GLU 657 Cb 0.32 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.03 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1fr0 n ASN 658 N 3.04 0.50 -2.96 4.31 4.13 -1.26 -5.02 115.26 118.00 1fr0 n ASN 658 Ca 0.00 -0.75 -0.16 0.00 1.68 0.00 0.00 54.58 55.35 1fr0 n ASN 658 Cb 0.00 0.60 0.07 0.00 -1.54 0.00 0.00 39.78 38.91 1fr0 n ASN 658 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1fr0 n SER 659 N -0.58 -3.54 -4.80 6.41 2.88 0.95 -4.93 113.62 110.01 1fr0 n SER 659 Ca 0.01 -0.47 -0.35 0.00 -1.33 0.00 0.00 58.87 56.73 1fr0 n SER 659 Cb 0.03 -4.17 -0.06 0.00 -0.75 0.00 0.00 64.21 59.26 1fr0 n SER 659 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1fr0 s LYS 660 N -5.51 4.27 -0.84 -1.46 1.02 -1.26 -2.42 119.74 113.54 1fr0 s LYS 660 Ca 0.20 1.27 -0.04 0.00 0.02 0.00 0.00 55.97 57.43 1fr0 s LYS 660 Cb -0.09 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 1fr0 s LYS 660 CO 0.58 -0.01 0.16 0.43 -0.92 0.00 0.00 175.35 175.60 1fr0 n SER 661 N -0.25 -2.85 0.00 2.83 7.64 -1.26 -4.57 113.62 115.15 1fr0 n SER 661 Ca 0.06 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1fr0 n SER 661 Cb 0.52 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.27 1fr0 n SER 661 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fr0 n GLU 662 N -3.03 0.00 -0.02 1.43 1.02 -1.22 -4.85 120.64 113.97 1fr0 n GLU 662 Ca -0.05 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1fr0 n GLU 662 Cb 0.55 -0.23 0.51 0.00 -0.02 0.00 0.00 31.44 32.25 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fr0 n ALA 663 N -1.88 2.57 -0.05 0.62 0.00 -1.02 -3.82 120.51 116.94 1fr0 n ALA 663 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.00 1fr0 n ALA 663 Cb 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 19.45 18.12 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 0.15 0.00 -4.12 0.00 4.77 -1.26 -4.47 117.00 112.07 1fr0 n LEU 664 Ca 0.19 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1fr0 n LEU 664 Cb 0.34 0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1fr0 n LEU 664 CO 0.16 0.23 -0.39 -1.48 -1.33 0.00 0.00 177.39 174.57 1fr0 s LEU 665 N -4.94 2.38 -0.63 2.23 2.34 -1.25 -2.12 118.68 116.69 1fr0 s LEU 665 Ca -0.09 -0.78 -0.28 0.00 0.06 0.00 0.00 54.13 53.05 1fr0 s LEU 665 Cb 0.10 -0.12 0.03 0.00 -0.56 0.00 0.00 46.19 45.64 1fr0 s LEU 665 CO 0.86 -0.33 1.25 -0.62 -1.06 0.00 0.00 176.35 176.44 1fr0 s ASP 666 N -2.31 6.32 0.20 1.48 -1.08 -0.85 -4.72 116.67 115.70 1fr0 s ASP 666 Ca 0.01 -0.04 -0.09 0.00 -0.52 0.00 0.00 52.55 51.91 1fr0 s ASP 666 Cb -0.02 -2.55 0.14 0.00 -1.46 0.00 0.00 42.92 39.02 1fr0 s ASP 666 CO -0.02 -1.62 1.77 0.40 0.52 0.00 0.00 175.17 176.22 1fr0 h ILE 667 N 6.15 1.25 -0.04 4.11 1.08 -1.91 -0.44 117.51 127.70 1fr0 h ILE 667 Ca -0.26 -0.76 -0.14 0.00 -0.39 0.00 0.00 64.86 63.31 1fr0 h ILE 667 Cb 1.06 0.36 0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1fr0 h ILE 667 CO 1.22 0.31 -0.52 1.55 -0.69 0.00 0.00 178.15 180.01 1fr0 h PRO 668 N 1.06 0.42 -0.56 2.37 0.13 -1.98 -2.49 132.00 130.95 1fr0 h PRO 668 Ca 0.25 -0.40 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1fr0 h PRO 668 Cb 0.19 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.39 1fr0 h PRO 668 CO -0.02 1.06 0.25 1.98 -0.23 0.00 0.00 178.00 181.03 1fr0 h MET 669 N -0.06 0.82 -0.20 0.86 4.05 -1.95 -1.59 114.93 116.87 1fr0 h MET 669 Ca -0.05 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1fr0 h MET 669 Cb 1.21 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1fr0 h MET 669 CO 0.10 0.69 0.10 -0.07 0.23 0.00 0.00 176.91 177.97 1fr0 h LEU 670 N 0.76 0.26 0.55 3.39 3.38 -1.14 -0.74 115.31 121.77 1fr0 h LEU 670 Ca 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1fr0 h LEU 670 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1fr0 h LEU 670 CO -0.02 0.29 -0.42 -0.08 0.09 0.00 0.00 178.44 178.30 1fr0 h GLU 671 N 0.20 -0.91 -0.42 1.13 4.81 -1.25 -2.23 114.58 115.91 1fr0 h GLU 671 Ca 0.07 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1fr0 h GLU 671 Cb 0.10 0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.60 1fr0 h GLU 671 CO -0.01 -0.61 -0.17 0.37 -0.73 0.00 0.00 179.01 177.87 1fr0 h GLN 672 N -0.94 -0.08 -0.62 1.92 -0.00 -1.23 -1.34 115.11 112.82 1fr0 h GLN 672 Ca -0.06 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.71 1fr0 h GLN 672 Cb 0.80 0.02 -0.12 0.00 0.00 0.00 0.00 27.48 28.17 1fr0 h GLN 672 CO 0.01 -0.05 -0.29 1.88 0.00 0.00 0.00 178.83 180.38 1fr0 h TYR 673 N -0.08 -0.77 -0.10 3.99 0.05 -0.82 0.88 116.97 120.12 1fr0 h TYR 673 Ca 0.20 0.07 0.03 0.00 0.05 0.00 0.00 58.73 59.08 1fr0 h TYR 673 Cb 0.39 0.43 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 1fr0 h TYR 673 CO -0.42 -0.36 0.09 -0.07 -1.05 0.00 0.00 178.16 176.35 1fr0 h LEU 674 N -0.12 0.00 -1.11 3.88 3.38 -0.66 0.84 115.31 121.52 1fr0 h LEU 674 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1fr0 h LEU 674 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1fr0 h LEU 674 CO -0.69 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 177.76 1fr0 h GLU 675 N 0.00 0.00 0.00 1.13 4.57 0.14 -2.03 114.58 118.39 1fr0 h GLU 675 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1fr0 h GLU 675 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1fr0 h GLU 675 CO -0.00 0.00 -0.18 1.28 -1.18 0.00 0.00 179.01 178.93 1fr0 n LEU 676 N -2.85 0.48 0.07 1.64 4.32 0.18 -4.79 117.00 116.05 1fr0 n LEU 676 Ca 0.01 0.08 0.07 0.00 -0.02 0.00 0.00 56.01 56.15 1fr0 n LEU 676 Cb 0.31 -0.39 -0.04 0.00 -1.62 0.00 0.00 43.42 41.68 1fr0 n LEU 676 CO 0.26 -0.49 -0.16 1.33 -1.22 0.00 0.00 177.39 177.11 1fr0 n VAL 677 N -2.97 0.78 -3.14 4.08 0.24 -0.53 -5.07 118.33 111.73 1fr0 n VAL 677 Ca -0.03 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1fr0 n VAL 677 Cb 0.09 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1fr0 n VAL 677 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fr0 n GLY 678 N 1.27 -1.75 0.00 7.63 0.00 -0.76 -3.86 105.19 107.72 1fr0 n GLY 678 Ca -0.04 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.81 0.00 1.61 -0.04 -1.26 -3.90 135.00 132.22 1fr0 n PRO 679 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fr0 n PRO 679 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1fr0 n PRO 679 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fr0 n LYS 680 N -0.90 0.00 -0.16 0.54 5.02 -1.25 -1.46 118.16 119.96 1fr0 n LYS 680 Ca 0.16 0.20 0.18 0.00 -2.02 0.00 0.00 58.31 56.83 1fr0 n LYS 680 Cb 0.07 -0.89 0.55 0.00 -0.02 0.00 0.00 35.03 34.74 1fr0 n LYS 680 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1fr0 h LEU 681 N 0.00 0.31 0.26 -0.35 5.85 -1.76 0.14 115.31 119.76 1fr0 h LEU 681 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1fr0 h LEU 681 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1fr0 h LEU 681 CO 0.00 0.15 -0.13 0.40 -0.34 0.00 0.00 178.44 178.52 1fr0 h ILE 682 N 0.32 0.63 -0.71 4.05 2.04 -1.68 -0.05 117.51 122.11 1fr0 h ILE 682 Ca 0.38 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1fr0 h ILE 682 Cb 0.99 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1fr0 h ILE 682 CO -0.10 0.15 0.18 0.74 0.00 0.00 0.00 178.15 179.12 1fr0 h THR 683 N -0.90 1.26 0.40 -0.27 2.02 -0.87 -1.76 112.91 112.79 1fr0 h THR 683 Ca -0.04 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 1fr0 h THR 683 Cb 0.51 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1fr0 h THR 683 CO 0.06 0.37 -0.19 0.44 0.37 0.00 0.00 175.52 176.57 1fr0 h ASP 684 N 1.07 -0.45 -0.43 4.18 3.32 -0.80 -2.63 116.42 120.68 1fr0 h ASP 684 Ca 0.22 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.41 1fr0 h ASP 684 Cb 0.36 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1fr0 h ASP 684 CO 0.00 -0.10 0.51 1.23 -1.72 0.00 0.00 179.24 179.16 1fr0 h GLY 685 N -0.98 0.00 0.36 2.75 0.00 -1.06 -2.06 103.07 102.08 1fr0 h GLY 685 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1fr0 h GLY 685 CO 0.09 0.00 -0.18 -2.00 0.00 0.00 0.00 176.54 174.45 1fr0 h LEU 686 N 0.00 -0.41 -0.54 3.11 5.85 -1.25 -2.44 115.31 119.63 1fr0 h LEU 686 Ca 0.20 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.04 1fr0 h LEU 686 Cb 1.23 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 1fr0 h LEU 686 CO -0.00 0.01 -0.25 0.00 -0.34 0.00 0.00 178.44 177.85 1fr0 h ALA 687 N -1.17 0.11 -0.82 1.25 0.00 -1.00 0.21 119.26 117.85 1fr0 h ALA 687 Ca -0.05 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1fr0 h ALA 687 Cb 0.38 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1fr0 h ALA 687 CO 0.08 -0.58 0.47 0.28 0.00 0.00 0.00 179.25 179.50 1fr0 h VAL 688 N -0.12 0.92 0.00 0.00 2.07 -1.58 0.17 116.25 117.70 1fr0 h VAL 688 Ca 0.24 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1fr0 h VAL 688 Cb 0.50 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1fr0 h VAL 688 CO -0.61 0.14 0.00 0.15 0.02 0.00 0.00 177.57 177.27 1fr0 h PHE 689 N 0.79 0.00 0.09 1.57 3.57 -0.20 -2.71 116.94 120.05 1fr0 h PHE 689 Ca 0.39 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.72 1fr0 h PHE 689 Cb 0.34 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.10 1fr0 h PHE 689 CO -0.06 0.00 -0.72 0.93 -2.23 0.00 0.00 178.31 176.22 1fr0 h GLU 690 N 0.00 0.34 -0.15 1.11 5.08 0.19 0.15 114.58 121.29 1fr0 h GLU 690 Ca 0.00 -0.48 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1fr0 h GLU 690 Cb 0.45 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1fr0 h GLU 690 CO 0.00 1.19 -0.46 0.87 -1.00 0.00 0.00 179.01 179.61 1fr0 h LYS 691 N -0.28 0.38 0.00 2.33 1.57 -1.38 -2.99 116.57 116.21 1fr0 h LYS 691 Ca -0.12 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1fr0 h LYS 691 Cb 1.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1fr0 h LYS 691 CO 0.14 0.76 -0.74 0.52 -0.57 0.00 0.00 179.45 179.56 1fr0 h MET 692 N 0.31 0.00 -0.42 3.15 2.86 -1.56 -3.37 114.93 115.90 1fr0 h MET 692 Ca 0.02 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1fr0 h MET 692 Cb 0.93 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.51 1fr0 h MET 692 CO 0.08 0.00 -0.09 1.98 1.06 0.00 0.00 176.91 179.94 1fr0 h MET 693 N 0.00 0.01 0.00 1.72 4.05 -0.53 0.10 114.93 120.29 1fr0 h MET 693 Ca 0.00 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1fr0 h MET 693 Cb 0.94 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 1fr0 h MET 693 CO 0.00 0.01 -0.26 -1.00 0.23 0.00 0.00 176.91 175.89 1fr0 h PRO 694 N 0.01 0.00 -0.03 0.39 0.13 -1.72 -1.68 132.00 129.09 1fr0 h PRO 694 Ca 0.20 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.13 1fr0 h PRO 694 Cb 0.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 1fr0 h PRO 694 CO -0.42 0.26 -0.84 0.78 -0.23 0.00 0.00 178.00 177.54 1fr0 h GLY 695 N 1.52 0.42 0.37 1.56 0.00 -1.18 -1.84 103.07 103.92 1fr0 h GLY 695 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1fr0 h GLY 695 CO 0.03 0.60 -0.07 -0.97 0.00 0.00 0.00 176.54 176.13 1fr0 h TYR 696 N 0.24 -0.19 -0.07 5.60 0.05 -0.52 -2.80 116.97 119.27 1fr0 h TYR 696 Ca -0.05 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.74 1fr0 h TYR 696 Cb 1.45 0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.25 1fr0 h TYR 696 CO 0.05 0.25 0.05 0.28 -1.05 0.00 0.00 178.16 177.75 1fr0 h VAL 697 N -0.84 0.92 -0.01 -2.88 2.07 -1.41 -1.78 116.25 112.32 1fr0 h VAL 697 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1fr0 h VAL 697 Cb 0.53 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1fr0 h VAL 697 CO 0.03 0.00 0.00 -1.28 0.02 0.00 0.00 177.57 176.35 1fr0 h SER 698 N 0.00 0.01 0.03 0.57 0.87 -1.29 -2.20 113.55 111.55 1fr0 h SER 698 Ca 0.03 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1fr0 h SER 698 Cb 0.14 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1fr0 h SER 698 CO -0.00 0.15 -0.06 0.58 -0.53 0.00 0.00 176.83 176.97 1fr0 h VAL 699 N -0.13 1.08 0.27 2.23 2.07 -1.07 -1.99 116.25 118.70 1fr0 h VAL 699 Ca 0.00 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1fr0 h VAL 699 Cb 0.15 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1fr0 h VAL 699 CO -0.00 0.11 -0.13 0.25 0.02 0.00 0.00 177.57 177.82 1fr0 h LEU 700 N 0.08 -0.30 -0.09 2.57 5.85 -0.79 0.30 115.31 122.93 1fr0 h LEU 700 Ca 0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1fr0 h LEU 700 Cb 0.17 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1fr0 h LEU 700 CO 0.01 -0.19 0.05 -0.33 -0.34 0.00 0.00 178.44 177.63 1fr0 h GLU 701 N -0.39 0.13 -0.89 1.25 5.08 -1.10 0.25 114.58 118.91 1fr0 h GLU 701 Ca -0.04 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1fr0 h GLU 701 Cb 0.30 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1fr0 h GLU 701 CO 0.06 0.19 0.52 0.77 -1.00 0.00 0.00 179.01 179.54 1fr0 h SER 702 N 0.04 0.72 -0.31 1.42 0.02 -1.25 -1.42 113.55 112.78 1fr0 h SER 702 Ca 0.03 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1fr0 h SER 702 Cb 0.10 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1fr0 h SER 702 CO -0.00 0.38 -0.34 0.78 -1.14 0.00 0.00 176.83 176.51 1fr0 h ASN 703 N 0.82 0.83 -0.78 3.07 4.21 -0.56 -2.96 115.58 120.21 1fr0 h ASN 703 Ca 0.45 -0.48 0.18 0.00 1.21 0.00 0.00 56.30 57.66 1fr0 h ASN 703 Cb 0.47 -0.24 -0.12 0.00 -1.12 0.00 0.00 38.32 37.32 1fr0 h ASN 703 CO -0.28 1.15 0.15 0.25 -1.29 0.00 0.00 177.43 177.40 1fr0 h LEU 704 N 0.54 -0.08 -1.12 1.61 5.85 0.15 0.51 115.31 122.77 1fr0 h LEU 704 Ca 0.04 0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1fr0 h LEU 704 Cb 0.92 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1fr0 h LEU 704 CO 0.08 -0.10 -0.43 0.71 -0.34 0.00 0.00 178.44 178.36 1fr0 h THR 705 N 0.21 1.28 -0.09 1.05 1.35 -1.41 -2.28 112.91 113.02 1fr0 h THR 705 Ca 0.45 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1fr0 h THR 705 Cb 0.81 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1fr0 h THR 705 CO -0.59 0.42 0.00 0.00 -0.25 0.00 0.00 175.52 175.11 1fr0 n ALA 706 N -2.44 2.50 -3.25 6.62 0.00 0.17 -4.86 120.51 119.25 1fr0 n ALA 706 Ca -0.02 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 1fr0 n ALA 706 Cb 0.47 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.24 -5.67 -2.98 0.00 0.00 -0.72 -4.93 117.38 102.84 1fr0 n GLN 707 Ca 0.05 0.64 -0.44 0.00 -0.00 0.00 0.00 57.00 57.25 1fr0 n GLN 707 Cb 0.09 -5.08 -0.01 0.00 0.00 0.00 0.00 30.24 25.24 1fr0 n GLN 707 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1fr0 s ASP 708 N -3.16 6.83 -0.00 1.69 1.11 -0.77 -4.87 116.67 117.50 1fr0 s ASP 708 Ca 0.41 -2.51 -0.02 0.00 0.18 0.00 0.00 52.55 50.61 1fr0 s ASP 708 Cb -0.18 -2.38 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 1fr0 s ASP 708 CO 0.51 -0.88 0.54 0.11 1.18 0.00 0.00 175.17 176.62 1fr0 h LYS 709 N 8.05 -0.07 -0.84 8.23 1.57 -1.91 -2.13 116.57 129.47 1fr0 h LYS 709 Ca 0.21 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.24 1fr0 h LYS 709 Cb 0.96 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1fr0 h LYS 709 CO 1.13 -0.05 0.75 0.87 -0.57 0.00 0.00 179.45 181.58 1fr0 h LYS 710 N -0.12 0.00 -0.16 3.15 1.79 -1.99 0.28 116.57 119.52 1fr0 h LYS 710 Ca -0.01 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1fr0 h LYS 710 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1fr0 h LYS 710 CO 0.01 0.00 -0.28 0.78 -1.08 0.00 0.00 179.45 178.88 1fr0 h GLY 711 N 0.00 0.51 0.70 3.86 0.00 -1.94 -1.71 103.07 104.49 1fr0 h GLY 711 Ca 0.40 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1fr0 h GLY 711 CO -0.00 0.53 -0.12 -2.22 0.00 0.00 0.00 176.54 174.73 1fr0 h ILE 712 N 0.09 0.81 -0.00 2.60 2.04 0.23 -0.39 117.51 122.88 1fr0 h ILE 712 Ca 0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1fr0 h ILE 712 Cb 0.87 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1fr0 h ILE 712 CO 0.06 0.12 0.00 0.58 0.00 0.00 0.00 178.15 178.92 1fr0 h VAL 713 N -0.64 0.61 0.00 1.67 2.07 -1.43 0.59 116.25 119.13 1fr0 h VAL 713 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1fr0 h VAL 713 Cb 0.45 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1fr0 h VAL 713 CO 0.06 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 177.56 1fr0 h GLU 714 N 0.00 -0.00 0.00 1.57 4.81 -1.06 -3.18 114.58 116.71 1fr0 h GLU 714 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1fr0 h GLU 714 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1fr0 h GLU 714 CO -0.00 0.86 0.00 -0.85 -0.73 0.00 0.00 179.01 178.29 1fr0 n GLU 715 N -4.64 0.27 0.01 1.92 -0.00 -0.18 -2.16 120.64 115.87 1fr0 n GLU 715 Ca -0.09 0.11 -0.01 0.00 -0.00 0.00 0.00 57.16 57.17 1fr0 n GLU 715 Cb 0.42 -1.50 -0.01 0.00 -0.00 0.00 0.00 31.44 30.35 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1fr0 h GLY 716 N 2.84 -0.09 2.00 -1.84 0.00 -0.87 -2.41 103.07 102.70 1fr0 h GLY 716 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1fr0 h GLY 716 CO 0.00 -0.03 -0.17 1.12 0.00 0.00 0.00 176.54 177.46 1fr0 h HIS 717 N -0.49 0.00 0.08 5.60 2.07 -1.59 -1.89 115.15 118.94 1fr0 h HIS 717 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1fr0 h HIS 717 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1fr0 h HIS 717 CO 0.02 0.17 -0.04 -0.22 -3.07 0.00 0.00 177.93 174.79 1fr0 h LYS 718 N 0.00 -0.11 0.39 5.12 3.11 -1.57 -2.03 116.57 121.49 1fr0 h LYS 718 Ca -0.00 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1fr0 h LYS 718 Cb 0.65 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1fr0 h LYS 718 CO 0.02 0.44 -0.19 0.82 -2.81 0.00 0.00 179.45 177.74 1fr0 h ILE 719 N -0.84 0.00 -0.21 2.00 1.08 -1.44 -1.88 117.51 116.22 1fr0 h ILE 719 Ca -0.01 -0.42 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1fr0 h ILE 719 Cb 0.60 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1fr0 h ILE 719 CO 0.02 0.00 0.26 0.11 -0.69 0.00 0.00 178.15 177.84 1fr0 h LYS 720 N -0.95 0.00 -0.08 2.37 6.56 -1.51 -0.20 116.57 122.77 1fr0 h LYS 720 Ca -0.05 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.46 1fr0 h LYS 720 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1fr0 h LYS 720 CO 0.09 0.00 -0.23 0.78 -2.06 0.00 0.00 179.45 178.03 1fr0 h GLY 721 N 0.00 0.33 1.38 3.86 0.00 -1.30 0.14 103.07 107.47 1fr0 h GLY 721 Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1fr0 h GLY 721 CO -0.00 0.38 -0.14 0.00 0.00 0.00 0.00 176.54 176.77 1fr0 h ALA 722 N 0.47 1.00 -0.08 3.60 0.00 -0.26 -2.79 119.26 121.20 1fr0 h ALA 722 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1fr0 h ALA 722 Cb 0.85 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1fr0 h ALA 722 CO 0.05 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 1fr0 h ALA 723 N 1.18 0.12 0.00 0.00 0.00 -1.09 -2.68 119.26 116.79 1fr0 h ALA 723 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fr0 h ALA 723 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1fr0 h ALA 723 CO 0.04 -0.02 0.17 0.78 0.00 0.00 0.00 179.25 180.22 1fr0 h GLY 724 N -0.23 0.00 2.00 0.00 0.00 -0.90 0.24 103.07 104.19 1fr0 h GLY 724 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1fr0 h GLY 724 CO 0.03 0.00 -0.57 1.76 0.00 0.00 0.00 176.54 177.76 1fr0 h SER 725 N 0.00 0.00 0.20 0.19 0.02 -1.19 -2.56 113.55 110.20 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 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1fr0 h SER 725 CO 0.00 0.57 -0.06 0.52 -1.14 0.00 0.00 176.83 176.72 1fr0 n VAL 726 N -3.73 0.00 0.00 2.27 0.31 0.83 -4.82 118.33 113.18 1fr0 n VAL 726 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1fr0 n VAL 726 Cb 0.60 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 1.19 1.38 3.40 2.92 0.00 -0.97 -4.93 105.19 108.18 1fr0 n GLY 727 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 5.37 0.16 0.99 4.77 0.18 -2.01 117.00 126.45 1fr0 n LEU 728 Ca 0.00 -4.39 0.00 0.00 -0.03 0.00 0.00 56.01 51.60 1fr0 n LEU 728 Cb 0.00 -1.63 0.25 0.00 -2.33 0.00 0.00 43.42 39.71 1fr0 n LEU 728 CO 0.00 0.71 0.59 0.08 -1.33 0.00 0.00 177.39 177.45 1fr0 h ARG 729 N 7.02 0.00 -0.43 3.23 -0.00 -1.66 -2.39 114.38 120.15 1fr0 h ARG 729 Ca 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.25 1fr0 h ARG 729 Cb 0.84 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.79 1fr0 h ARG 729 CO 1.34 0.51 -0.09 1.25 -0.00 0.00 0.00 179.97 182.98 1fr0 h HIS 730 N 0.00 0.83 0.01 4.08 2.76 -1.65 -2.10 115.15 119.09 1fr0 h HIS 730 Ca -0.01 -0.14 -0.26 0.00 -2.20 0.00 0.00 60.37 57.76 1fr0 h HIS 730 Cb 0.91 -0.22 0.02 0.00 1.55 0.00 0.00 27.41 29.68 1fr0 h HIS 730 CO 0.00 0.82 -1.02 -0.07 -1.30 0.00 0.00 177.93 176.36 1fr0 h LEU 731 N 0.70 0.87 -1.23 0.26 -0.00 -1.75 -2.70 115.31 111.46 1fr0 h LEU 731 Ca 0.12 -0.75 -0.01 0.00 -0.00 0.00 0.00 57.88 57.24 1fr0 h LEU 731 Cb 0.55 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 1fr0 h LEU 731 CO 0.03 1.51 0.32 -0.61 -0.00 0.00 0.00 178.44 179.70 1fr0 h GLN 732 N 0.32 0.85 0.33 1.13 4.15 -1.33 -2.43 115.11 118.14 1fr0 h GLN 732 Ca -0.13 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1fr0 h GLN 732 Cb 1.68 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.20 1fr0 h GLN 732 CO 0.20 0.64 -0.16 1.96 -1.93 0.00 0.00 178.83 179.54 1fr0 h GLN 733 N 0.86 -0.42 -0.53 1.69 1.08 -1.41 -2.14 115.11 114.24 1fr0 h GLN 733 Ca 0.22 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.52 1fr0 h GLN 733 Cb 0.04 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.47 1fr0 h GLN 733 CO -0.03 -0.22 -0.47 -0.07 -0.95 0.00 0.00 178.83 177.09 1fr0 h LEU 734 N -1.08 -1.61 -0.02 1.46 4.07 -1.47 -0.77 115.31 115.89 1fr0 h LEU 734 Ca -0.04 0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.19 1fr0 h LEU 734 Cb 0.40 0.71 -0.04 0.00 1.08 0.00 0.00 40.66 42.80 1fr0 h LEU 734 CO 0.07 -0.35 -0.21 1.23 -1.08 0.00 0.00 178.44 178.10 1fr0 h GLY 735 N -0.28 -0.28 -1.44 0.83 0.00 -1.55 0.83 103.07 101.19 1fr0 h GLY 735 Ca 0.15 0.25 0.50 0.00 0.00 0.00 0.00 47.33 48.23 1fr0 h GLY 735 CO -0.66 -0.19 1.24 1.46 0.00 0.00 0.00 176.54 178.39 1fr0 h GLN 736 N -0.32 0.00 0.00 4.80 1.08 -0.46 1.89 115.11 122.10 1fr0 h GLN 736 Ca 0.07 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 1fr0 h GLN 736 Cb 0.41 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 1fr0 h GLN 736 CO -0.21 0.00 -1.50 1.04 -0.95 0.00 0.00 178.83 177.21 1fr0 n GLN 737 N -4.02 0.63 0.27 1.46 3.00 0.10 -3.92 117.38 114.91 1fr0 n GLN 737 Ca 0.38 0.15 0.15 0.00 -0.01 0.00 0.00 57.00 57.67 1fr0 n GLN 737 Cb 1.77 -1.76 0.78 0.00 0.00 0.00 0.00 30.24 31.03 1fr0 n GLN 737 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1fr0 h ILE 738 N 0.00 0.42 -0.13 5.09 2.10 0.48 -2.18 117.51 123.29 1fr0 h ILE 738 Ca -0.16 -0.46 -0.01 0.00 1.08 0.00 0.00 64.86 65.31 1fr0 h ILE 738 Cb 1.52 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 38.57 1fr0 h ILE 738 CO 0.03 0.09 0.01 0.00 -1.08 0.00 0.00 178.15 177.20 1fr0 n GLN 739 N -3.50 1.78 -2.41 2.19 -0.00 -0.91 -4.03 117.38 110.50 1fr0 n GLN 739 Ca -0.02 -0.66 -0.25 0.00 -0.00 0.00 0.00 57.00 56.07 1fr0 n GLN 739 Cb 0.23 -1.63 0.01 0.00 -0.00 0.00 0.00 30.24 28.84 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 0.13 4.50 -2.43 2.61 2.88 -0.82 -4.91 113.62 115.58 1fr0 n SER 740 Ca 0.06 -3.64 -0.05 0.00 -1.33 0.00 0.00 58.87 53.92 1fr0 n SER 740 Cb 0.47 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.50 0.70 0.00 -1.46 -0.04 -1.26 -2.83 135.00 129.61 1fr0 n PRO 741 Ca 0.38 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1fr0 n PRO 741 Cb 0.73 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 3.05 1.71 -4.75 3.54 -0.08 -1.26 -5.00 116.55 113.75 1fr0 n ASP 742 Ca 0.15 -0.01 -0.41 0.00 -1.51 0.00 0.00 54.79 53.01 1fr0 n ASP 742 Cb 0.26 0.37 -0.04 0.00 2.34 0.00 0.00 41.12 44.05 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1fr0 s LEU 743 N -1.07 4.53 0.20 -2.67 1.02 -1.13 -4.90 118.68 114.67 1fr0 s LEU 743 Ca 0.00 2.16 0.20 0.00 0.02 0.00 0.00 54.13 56.51 1fr0 s LEU 743 Cb 0.00 -3.61 0.88 0.00 0.02 0.00 0.00 46.19 43.47 1fr0 s LEU 743 CO 0.00 -0.15 1.60 -0.81 0.02 0.00 0.00 176.35 177.01 1fr0 n PRO 744 N 1.75 0.13 -0.03 1.29 -0.04 -1.26 -1.96 135.00 134.89 1fr0 n PRO 744 Ca 0.01 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 63.97 1fr0 n PRO 744 Cb 0.46 -1.79 -0.17 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.70 2.54 -0.06 0.55 0.00 -1.26 -4.25 120.51 116.32 1fr0 n ALA 745 Ca 0.01 -0.69 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 1fr0 n ALA 745 Cb 0.16 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 1.02 0.00 0.00 7.01 -1.74 -1.37 115.95 120.87 1fr0 h TRP 746 Ca -0.11 -0.39 0.00 0.00 2.11 0.00 0.00 58.89 60.50 1fr0 h TRP 746 Cb 1.25 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 1fr0 h TRP 746 CO 0.00 1.21 0.00 0.39 -2.79 0.00 0.00 178.44 177.25 1fr0 n GLU 747 N -4.05 0.26 -0.00 2.65 -0.58 -1.13 -0.51 120.64 117.27 1fr0 n GLU 747 Ca -0.06 0.12 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 1fr0 n GLU 747 Cb 0.64 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.96 1fr0 n GLU 747 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1fr0 n ASP 748 N -1.26 1.53 -0.00 1.62 9.92 -1.02 -4.61 116.55 122.73 1fr0 n ASP 748 Ca 0.08 -0.40 0.02 0.00 -0.53 0.00 0.00 54.79 53.96 1fr0 n ASP 748 Cb 0.13 1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 41.73 1fr0 n ASP 748 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1fr0 n ASN 749 N -1.42 0.92 -0.33 -2.24 0.23 -0.55 -4.64 115.26 107.25 1fr0 n ASN 749 Ca 0.00 -0.48 0.15 0.00 -0.53 0.00 0.00 54.58 53.72 1fr0 n ASN 749 Cb 0.15 1.04 0.35 0.00 -2.08 0.00 0.00 39.78 39.24 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1fr0 h VAL 750 N 0.00 0.50 -0.58 3.53 2.07 -1.02 -1.29 116.25 119.45 1fr0 h VAL 750 Ca 0.00 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1fr0 h VAL 750 Cb 0.11 -0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 29.76 1fr0 h VAL 750 CO 0.00 0.09 -0.53 1.23 0.02 0.00 0.00 177.57 178.38 1fr0 h GLY 751 N 0.49 -0.81 2.00 2.17 0.00 -1.84 0.56 103.07 105.64 1fr0 h GLY 751 Ca 0.60 0.69 -0.02 0.00 0.00 0.00 0.00 47.33 48.60 1fr0 h GLY 751 CO -0.50 -0.10 -0.10 0.83 0.00 0.00 0.00 176.54 176.67 1fr0 h GLU 752 N -0.27 0.00 0.59 4.80 4.39 -1.59 -2.13 114.58 120.37 1fr0 h GLU 752 Ca 0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1fr0 h GLU 752 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1fr0 h GLU 752 CO -0.70 0.10 -0.42 2.35 -1.16 0.00 0.00 179.01 179.19 1fr0 h TRP 753 N 0.00 -1.12 -0.35 4.33 2.91 0.53 0.14 115.95 122.39 1fr0 h TRP 753 Ca -0.00 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1fr0 h TRP 753 Cb 0.19 0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 1fr0 h TRP 753 CO 0.00 -0.60 0.05 0.82 -1.03 0.00 0.00 178.44 177.68 1fr0 h ILE 754 N -0.95 1.24 0.53 2.65 2.04 -1.31 -0.67 117.51 121.04 1fr0 h ILE 754 Ca -0.08 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1fr0 h ILE 754 Cb 0.78 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1fr0 h ILE 754 CO 0.04 0.29 -0.45 -0.08 0.00 0.00 0.00 178.15 177.95 1fr0 h GLU 755 N 0.42 -0.93 -0.13 2.37 4.57 -1.33 0.15 114.58 119.71 1fr0 h GLU 755 Ca 0.11 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1fr0 h GLU 755 Cb 0.37 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1fr0 h GLU 755 CO 0.01 -0.62 0.09 1.49 -1.18 0.00 0.00 179.01 178.80 1fr0 h GLU 756 N -0.96 0.03 -0.26 1.92 4.81 -0.75 -1.48 114.58 117.89 1fr0 h GLU 756 Ca -0.07 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1fr0 h GLU 756 Cb 0.81 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1fr0 h GLU 756 CO -0.01 0.02 -0.45 1.98 -0.73 0.00 0.00 179.01 179.81 1fr0 h MET 757 N 0.03 0.67 0.27 1.92 4.05 -0.30 -3.26 114.93 118.31 1fr0 h MET 757 Ca 0.06 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 1fr0 h MET 757 Cb 0.20 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1fr0 h MET 757 CO -0.00 0.98 -0.13 0.87 0.23 0.00 0.00 176.91 178.86 1fr0 h LYS 758 N 0.54 -0.35 -2.36 0.39 1.57 0.30 -1.77 116.57 114.89 1fr0 h LYS 758 Ca 0.03 0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 58.45 1fr0 h LYS 758 Cb 0.99 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 1fr0 h LYS 758 CO 0.09 -0.00 1.18 0.39 -0.57 0.00 0.00 179.45 180.54 1fr0 n GLU 759 N -5.05 2.70 0.00 3.15 4.71 -0.92 -3.84 120.64 121.39 1fr0 n GLU 759 Ca -0.08 -1.59 0.00 0.00 -0.01 0.00 0.00 57.16 55.48 1fr0 n GLU 759 Cb 0.26 -2.30 0.00 0.00 -1.01 0.00 0.00 31.44 28.39 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1fr0 n GLU 760 N 2.72 0.00 -0.26 3.49 2.13 -1.23 -4.94 120.64 122.55 1fr0 n GLU 760 Ca 0.56 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.45 1fr0 n GLU 760 Cb 0.64 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.54 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 0.25 -0.50 4.31 5.08 -1.42 0.33 115.95 124.00 1fr0 h TRP 761 Ca 0.00 0.05 0.10 0.00 1.08 0.00 0.00 58.89 60.12 1fr0 h TRP 761 Cb 0.00 0.01 -0.10 0.00 -3.00 0.00 0.00 29.16 26.07 1fr0 h TRP 761 CO 0.00 -0.12 -0.20 -0.09 -1.28 0.00 0.00 178.44 176.75 1fr0 h ARG 762 N 0.24 -0.09 -0.06 0.12 2.43 -1.82 -0.85 114.38 114.36 1fr0 h ARG 762 Ca 0.43 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.65 1fr0 h ARG 762 Cb 0.76 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1fr0 h ARG 762 CO -0.55 -0.06 -0.30 1.25 -1.51 0.00 0.00 179.97 178.81 1fr0 h HIS 763 N -0.09 -0.82 -0.94 2.20 2.76 -1.31 0.34 115.15 117.29 1fr0 h HIS 763 Ca 0.23 0.03 0.28 0.00 -2.20 0.00 0.00 60.37 58.71 1fr0 h HIS 763 Cb 0.45 0.37 -0.15 0.00 1.55 0.00 0.00 27.41 29.64 1fr0 h HIS 763 CO -0.48 -0.39 0.38 -0.44 -1.30 0.00 0.00 177.93 175.69 1fr0 h ASP 764 N -0.41 0.21 0.06 3.26 3.32 -0.79 0.38 116.42 122.45 1fr0 h ASP 764 Ca 0.08 0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1fr0 h ASP 764 Cb 0.53 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1fr0 h ASP 764 CO -0.29 -0.16 -0.03 0.58 -1.72 0.00 0.00 179.24 177.62 1fr0 h VAL 765 N 0.25 1.24 -0.40 -1.35 2.07 -0.44 0.53 116.25 118.15 1fr0 h VAL 765 Ca 0.64 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1fr0 h VAL 765 Cb 1.37 1.97 -0.08 0.00 -1.52 0.00 0.00 31.29 33.03 1fr0 h VAL 765 CO -0.65 0.28 -0.54 -0.33 0.02 0.00 0.00 177.57 176.35 1fr0 h GLU 766 N -0.60 -0.39 -0.06 1.57 4.39 0.10 0.73 114.58 120.32 1fr0 h GLU 766 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1fr0 h GLU 766 Cb 0.51 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1fr0 h GLU 766 CO 0.01 -0.26 0.02 0.28 -1.16 0.00 0.00 179.01 177.91 1fr0 h VAL 767 N -0.40 0.99 -0.91 3.13 2.07 -1.26 -2.50 116.25 117.37 1fr0 h VAL 767 Ca 0.08 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.74 1fr0 h VAL 767 Cb 0.60 0.93 -0.16 0.00 -1.52 0.00 0.00 31.29 31.14 1fr0 h VAL 767 CO -0.59 0.01 -0.32 0.25 0.02 0.00 0.00 177.57 176.94 1fr0 h LEU 768 N 0.06 -1.18 0.44 2.57 5.85 0.61 0.13 115.31 123.78 1fr0 h LEU 768 Ca 0.03 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1fr0 h LEU 768 Cb 0.01 0.66 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1fr0 h LEU 768 CO -0.02 -0.30 -0.22 0.50 -0.34 0.00 0.00 178.44 178.06 1fr0 h LYS 769 N -0.03 -0.58 -1.02 1.25 3.64 -0.57 -2.19 116.57 117.07 1fr0 h LYS 769 Ca 0.37 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 60.03 1fr0 h LYS 769 Cb 0.62 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.47 1fr0 h LYS 769 CO -0.93 -0.39 0.63 0.00 -2.27 0.00 0.00 179.45 176.50 1fr0 h ALA 770 N -0.04 2.00 -0.19 5.00 0.00 -0.52 0.66 119.26 126.17 1fr0 h ALA 770 Ca -0.06 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1fr0 h ALA 770 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1fr0 h ALA 770 CO 0.09 -0.41 0.11 2.35 0.00 0.00 0.00 179.25 181.39 1fr0 h TRP 771 N 0.52 0.20 0.00 0.00 7.01 -0.24 -1.50 115.95 121.95 1fr0 h TRP 771 Ca 0.60 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.59 1fr0 h TRP 771 Cb 1.30 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 28.29 1fr0 h TRP 771 CO -0.00 0.12 -0.08 0.28 -2.79 0.00 0.00 178.44 175.97 1fr0 h VAL 772 N 0.23 0.75 0.00 2.65 2.07 -0.56 0.86 116.25 122.24 1fr0 h VAL 772 Ca 0.07 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1fr0 h VAL 772 Cb -0.00 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1fr0 h VAL 772 CO -0.04 0.08 -0.61 0.00 0.02 0.00 0.00 177.57 177.02 1fr0 h ALA 773 N 1.92 0.74 0.00 1.67 0.00 -0.63 -3.27 119.26 119.69 1fr0 h ALA 773 Ca -0.00 -0.55 -0.39 0.00 0.00 0.00 0.00 54.91 53.97 1fr0 h ALA 773 Cb 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1fr0 h ALA 773 CO 0.01 0.76 -2.40 1.17 0.00 0.00 0.00 179.25 178.79 1fr0 n LYS 774 N -3.44 0.59 0.25 0.00 0.00 -0.64 -4.15 118.16 110.76 1fr0 n LYS 774 Ca 0.00 0.17 0.16 0.00 0.00 0.00 0.00 58.31 58.65 1fr0 n LYS 774 Cb 0.70 -1.46 0.75 0.00 0.00 0.00 0.00 35.03 35.01 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fr0 h ALA 775 N -0.28 1.65 -0.52 3.14 0.00 0.57 0.68 119.26 124.50 1fr0 h ALA 775 Ca -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1fr0 h ALA 775 Cb 1.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1fr0 h ALA 775 CO -0.18 -0.50 0.00 2.41 0.00 0.00 0.00 179.25 180.98 1fr0 n THR 776 N -3.14 1.36 -2.80 0.00 -1.04 -1.23 -4.61 114.28 102.81 1fr0 n THR 776 Ca 0.02 -1.15 -0.10 0.00 -2.04 0.00 0.00 64.05 60.78 1fr0 n THR 776 Cb 0.51 0.32 0.07 0.00 -1.82 0.00 0.00 70.33 69.42 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 0.88 1.02 0.00 -2.82 4.76 0.24 -5.09 118.16 117.15 1fr0 n LYS 777 Ca 0.20 -2.16 0.12 0.00 -2.87 0.00 0.00 58.31 53.60 1fr0 n LYS 777 Cb 0.65 -1.09 0.73 0.00 -1.84 0.00 0.00 35.03 33.47 1fr0 n LYS 777 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39