#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 3.90 -0.04 12.58 -1.04 -1.26 -5.04 114.28 123.38 1fr0 n THR 655 Ca 0.00 -5.18 -0.03 0.00 -2.04 0.00 0.00 64.05 56.80 1fr0 n THR 655 Cb 0.00 -1.37 0.03 0.00 -1.82 0.00 0.00 70.33 67.17 1fr0 n THR 655 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fr0 n GLU 656 N -0.33 -1.55 0.00 -2.82 1.02 -1.26 -5.04 120.64 110.65 1fr0 n GLU 656 Ca 0.44 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1fr0 n GLU 656 Cb 0.37 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 1fr0 n GLU 656 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fr0 n GLU 657 N -1.94 3.48 -0.28 3.49 4.07 -1.26 -4.98 120.64 123.23 1fr0 n GLU 657 Ca 0.01 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.16 1fr0 n GLU 657 Cb 0.06 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 31.60 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1fr0 n ASN 658 N 0.00 2.41 0.00 4.31 6.94 -1.26 -4.94 115.26 122.72 1fr0 n ASN 658 Ca 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 1fr0 n ASN 658 Cb 0.00 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 1fr0 n ASN 658 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1fr0 n SER 659 N 0.40 0.00 -4.28 0.53 2.88 -1.26 -4.80 113.62 107.09 1fr0 n SER 659 Ca 0.12 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.27 1fr0 n SER 659 Cb 0.46 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.94 1fr0 n SER 659 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fr0 n LYS 660 N 0.00 0.09 -1.33 -1.46 4.81 -1.26 -1.18 118.16 117.84 1fr0 n LYS 660 Ca 0.00 0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.36 1fr0 n LYS 660 Cb 0.00 -1.15 -0.05 0.00 0.02 0.00 0.00 35.03 33.85 1fr0 n LYS 660 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1fr0 n SER 661 N 2.13 -4.47 0.18 3.14 2.88 -1.26 -4.62 113.62 111.60 1fr0 n SER 661 Ca 0.08 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1fr0 n SER 661 Cb 0.48 -2.98 0.00 0.00 -0.75 0.00 0.00 64.21 60.96 1fr0 n SER 661 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1fr0 n GLU 662 N -2.54 0.00 0.00 -1.46 2.13 -0.41 -4.90 120.64 113.46 1fr0 n GLU 662 Ca -0.11 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.83 1fr0 n GLU 662 Cb 0.39 0.00 0.66 0.00 0.27 0.00 0.00 31.44 32.76 1fr0 n GLU 662 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fr0 n ALA 663 N -3.23 2.31 -0.04 4.31 0.00 -0.32 -3.00 120.51 120.54 1fr0 n ALA 663 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1fr0 n ALA 663 Cb 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.23 0.41 -4.28 0.00 4.77 -1.26 -4.58 117.00 110.82 1fr0 n LEU 664 Ca 0.13 0.19 -0.18 0.00 -0.03 0.00 0.00 56.01 56.12 1fr0 n LEU 664 Cb 0.18 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1fr0 n LEU 664 CO 0.18 0.34 -0.14 -1.48 -1.33 0.00 0.00 177.39 174.96 1fr0 s LEU 665 N -5.60 1.65 -0.28 2.23 0.05 -1.16 -2.37 118.68 113.19 1fr0 s LEU 665 Ca -0.07 -1.68 -0.14 0.00 0.05 0.00 0.00 54.13 52.30 1fr0 s LEU 665 Cb 0.08 0.47 -0.04 0.00 -2.05 0.00 0.00 46.19 44.65 1fr0 s LEU 665 CO 0.83 -1.01 0.31 -0.62 -0.55 0.00 0.00 176.35 175.32 1fr0 s ASP 666 N -3.34 6.17 -0.04 1.48 -1.08 -0.84 -4.65 116.67 114.36 1fr0 s ASP 666 Ca 0.39 0.12 -0.26 0.00 -0.52 0.00 0.00 52.55 52.28 1fr0 s ASP 666 Cb 0.03 -2.18 -0.21 0.00 -1.46 0.00 0.00 42.92 39.10 1fr0 s ASP 666 CO 0.24 -0.16 1.14 0.40 0.52 0.00 0.00 175.17 177.30 1fr0 h ILE 667 N 5.40 1.49 -0.14 4.11 5.03 -1.93 -2.32 117.51 129.16 1fr0 h ILE 667 Ca -0.32 -1.52 -0.06 0.00 -0.12 0.00 0.00 64.86 62.84 1fr0 h ILE 667 Cb 1.17 2.48 -0.00 0.00 -3.03 0.00 0.00 36.82 37.43 1fr0 h ILE 667 CO 0.62 0.40 -0.15 1.55 -0.68 0.00 0.00 178.15 179.89 1fr0 h PRO 668 N -0.55 0.34 -0.02 2.37 0.13 -1.99 -2.43 132.00 129.85 1fr0 h PRO 668 Ca -0.00 -0.19 0.01 0.00 -0.87 0.00 0.00 66.00 64.95 1fr0 h PRO 668 Cb 0.68 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1fr0 h PRO 668 CO 0.01 0.75 -0.05 1.98 -0.23 0.00 0.00 178.00 180.46 1fr0 h MET 669 N -0.04 -0.07 -0.93 0.86 4.05 -1.98 -0.70 114.93 116.11 1fr0 h MET 669 Ca 0.02 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.58 1fr0 h MET 669 Cb 0.69 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.43 1fr0 h MET 669 CO 0.04 -0.05 0.60 -0.07 0.23 0.00 0.00 176.91 177.66 1fr0 h LEU 670 N -0.07 0.76 -0.19 3.39 3.38 -1.44 -0.77 115.31 120.35 1fr0 h LEU 670 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1fr0 h LEU 670 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1fr0 h LEU 670 CO -0.06 0.39 0.06 -0.08 0.09 0.00 0.00 178.44 178.83 1fr0 h GLU 671 N 0.80 0.30 0.09 1.13 4.22 -0.76 -2.46 114.58 117.90 1fr0 h GLU 671 Ca 0.47 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.87 1fr0 h GLU 671 Cb 0.64 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1fr0 h GLU 671 CO -0.23 0.41 -0.34 0.37 -2.18 0.00 0.00 179.01 177.03 1fr0 h GLN 672 N 0.13 -0.53 -0.99 1.92 4.15 0.26 0.12 115.11 120.17 1fr0 h GLN 672 Ca 0.06 0.04 0.27 0.00 0.77 0.00 0.00 58.65 59.79 1fr0 h GLN 672 Cb 0.23 0.12 -0.13 0.00 0.21 0.00 0.00 27.48 27.91 1fr0 h GLN 672 CO -0.00 -0.36 0.55 1.88 -1.93 0.00 0.00 178.83 178.97 1fr0 h TYR 673 N -0.55 0.92 -0.64 3.99 0.05 -1.25 0.69 116.97 120.18 1fr0 h TYR 673 Ca 0.04 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.95 1fr0 h TYR 673 Cb 0.60 -0.25 -0.07 0.00 1.01 0.00 0.00 36.73 38.02 1fr0 h TYR 673 CO -0.32 -0.04 0.27 1.25 -1.05 0.00 0.00 178.16 178.27 1fr0 h LEU 674 N 0.46 0.31 -0.11 3.88 7.12 -0.49 0.15 115.31 126.62 1fr0 h LEU 674 Ca 0.66 0.07 -0.05 0.00 0.13 0.00 0.00 57.88 58.70 1fr0 h LEU 674 Cb 1.36 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1fr0 h LEU 674 CO -0.53 0.18 -0.23 -0.08 -0.13 0.00 0.00 178.44 177.64 1fr0 h GLU 675 N 0.47 0.00 0.28 1.25 4.22 0.54 0.21 114.58 121.55 1fr0 h GLU 675 Ca 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.75 1fr0 h GLU 675 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1fr0 h GLU 675 CO -0.29 0.23 -0.13 -0.07 -2.18 0.00 0.00 179.01 176.56 1fr0 h LEU 676 N 0.00 -0.32 -1.80 1.64 3.38 0.20 -3.41 115.31 115.00 1fr0 h LEU 676 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fr0 h LEU 676 Cb 1.14 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1fr0 h LEU 676 CO 0.03 -0.02 -0.01 0.52 0.09 0.00 0.00 178.44 179.05 1fr0 n VAL 677 N -4.16 0.40 -4.15 1.22 0.31 0.27 -5.07 118.33 107.16 1fr0 n VAL 677 Ca -0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1fr0 n VAL 677 Cb 0.15 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 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 -0.21 -1.85 0.00 2.92 0.00 0.73 -3.65 105.19 103.13 1fr0 n GLY 678 Ca 0.00 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.27 0.74 -0.02 1.61 -0.04 -1.26 -3.38 135.00 132.38 1fr0 n PRO 679 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1fr0 n PRO 679 Cb 0.00 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.94 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 0.51 -0.13 0.54 3.11 -1.94 0.73 116.57 119.39 1fr0 h LYS 680 Ca 0.00 -0.43 -0.14 0.00 -2.81 0.00 0.00 60.65 57.27 1fr0 h LYS 680 Cb 0.00 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1fr0 h LYS 680 CO 0.00 1.06 -0.52 1.25 -2.81 0.00 0.00 179.45 178.43 1fr0 h LEU 681 N 0.09 0.39 0.02 5.20 5.85 -1.69 -0.41 115.31 124.76 1fr0 h LEU 681 Ca -0.04 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1fr0 h LEU 681 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1fr0 h LEU 681 CO 0.11 0.84 -0.01 0.40 -0.34 0.00 0.00 178.44 179.44 1fr0 h ILE 682 N 0.28 1.47 -0.45 4.05 2.04 -1.69 -2.00 117.51 121.21 1fr0 h ILE 682 Ca 0.01 -1.92 -0.02 0.00 1.00 0.00 0.00 64.86 63.94 1fr0 h ILE 682 Cb 1.01 2.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 1fr0 h ILE 682 CO 0.09 0.46 0.22 0.74 0.00 0.00 0.00 178.15 179.66 1fr0 h THR 683 N -0.91 1.18 0.50 -0.27 2.02 -0.91 -1.13 112.91 113.38 1fr0 h THR 683 Ca -0.00 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1fr0 h THR 683 Cb 0.78 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1fr0 h THR 683 CO 0.00 0.20 -0.24 -0.78 0.37 0.00 0.00 175.52 175.07 1fr0 h ASP 684 N 0.58 -0.56 -0.61 4.18 3.58 -1.19 -1.34 116.42 121.06 1fr0 h ASP 684 Ca 0.15 0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.72 1fr0 h ASP 684 Cb 0.12 0.15 -0.11 0.00 1.72 0.00 0.00 39.33 41.20 1fr0 h ASP 684 CO -0.02 -0.32 -0.40 1.23 -2.88 0.00 0.00 179.24 176.85 1fr0 h GLY 685 N -0.82 -0.32 0.75 -0.78 0.00 -1.40 0.78 103.07 101.28 1fr0 h GLY 685 Ca -0.07 0.52 0.15 0.00 0.00 0.00 0.00 47.33 47.94 1fr0 h GLY 685 CO 0.11 -0.18 0.47 -2.00 0.00 0.00 0.00 176.54 174.95 1fr0 h LEU 686 N -0.19 0.27 0.79 3.11 5.85 -1.23 0.71 115.31 124.63 1fr0 h LEU 686 Ca 0.21 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1fr0 h LEU 686 Cb 0.56 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1fr0 h LEU 686 CO -0.71 0.14 -0.39 0.00 -0.34 0.00 0.00 178.44 177.14 1fr0 h ALA 687 N 1.67 -1.08 -0.19 1.25 0.00 0.18 0.15 119.26 121.23 1fr0 h ALA 687 Ca 0.34 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1fr0 h ALA 687 Cb 0.91 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1fr0 h ALA 687 CO -0.08 -1.11 -0.29 0.28 0.00 0.00 0.00 179.25 178.05 1fr0 h VAL 688 N -1.08 1.27 0.64 0.00 2.07 -0.97 -2.31 116.25 115.86 1fr0 h VAL 688 Ca -0.11 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1fr0 h VAL 688 Cb 0.83 1.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1fr0 h VAL 688 CO 0.17 0.40 -0.31 0.15 0.02 0.00 0.00 177.57 178.00 1fr0 h PHE 689 N 0.33 -0.80 -0.22 1.57 3.57 -0.67 -2.60 116.94 118.11 1fr0 h PHE 689 Ca 0.05 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1fr0 h PHE 689 Cb 0.68 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1fr0 h PHE 689 CO 0.02 -0.46 0.19 1.05 -2.23 0.00 0.00 178.31 176.88 1fr0 h GLU 690 N -1.13 0.00 -0.22 1.11 4.11 -0.72 0.26 114.58 117.99 1fr0 h GLU 690 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1fr0 h GLU 690 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1fr0 h GLU 690 CO 0.14 0.00 0.06 -0.22 0.07 0.00 0.00 179.01 179.06 1fr0 h LYS 691 N 0.00 0.35 -0.71 1.06 1.63 -1.18 -2.98 116.57 114.74 1fr0 h LYS 691 Ca 0.11 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1fr0 h LYS 691 Cb 0.49 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1fr0 h LYS 691 CO -0.00 0.46 0.00 0.00 -3.45 0.00 0.00 179.45 176.46 1fr0 n MET 692 N -4.76 3.23 0.14 1.90 0.00 -0.69 -4.51 117.12 112.44 1fr0 n MET 692 Ca -0.04 -2.80 -0.13 0.00 0.00 0.00 0.00 57.70 54.73 1fr0 n MET 692 Cb 0.17 -1.74 -0.07 0.00 0.00 0.00 0.00 33.22 31.58 1fr0 n MET 692 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1fr0 h MET 693 N 4.29 -0.34 0.00 3.17 2.86 -0.36 0.12 114.93 124.67 1fr0 h MET 693 Ca 0.00 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1fr0 h MET 693 Cb 1.23 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 1fr0 h MET 693 CO 0.11 -0.23 -0.32 -1.00 1.06 0.00 0.00 176.91 176.54 1fr0 h PRO 694 N -0.35 0.00 -0.31 -0.22 0.13 -1.79 -2.63 132.00 126.83 1fr0 h PRO 694 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.95 1fr0 h PRO 694 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 1fr0 h PRO 694 CO -0.02 0.32 -0.48 0.78 -0.23 0.00 0.00 178.00 178.37 1fr0 h GLY 695 N 1.47 0.92 0.73 1.56 0.00 -1.66 -2.13 103.07 103.97 1fr0 h GLY 695 Ca -0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.28 1fr0 h GLY 695 CO 0.04 0.91 -0.35 -0.97 0.00 0.00 0.00 176.54 176.17 1fr0 h TYR 696 N 0.66 -0.91 -1.09 5.60 0.05 -0.42 -2.10 116.97 118.76 1fr0 h TYR 696 Ca 0.03 -0.02 0.31 0.00 0.05 0.00 0.00 58.73 59.10 1fr0 h TYR 696 Cb 1.07 0.30 -0.06 0.00 1.01 0.00 0.00 36.73 39.05 1fr0 h TYR 696 CO 0.06 -0.57 0.76 -0.39 -1.05 0.00 0.00 178.16 176.98 1fr0 h VAL 697 N -1.03 0.47 -0.20 -2.88 -1.51 -1.55 0.23 116.25 109.78 1fr0 h VAL 697 Ca -0.10 -0.03 0.01 0.00 -1.23 0.00 0.00 66.70 65.35 1fr0 h VAL 697 Cb 0.75 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 1fr0 h VAL 697 CO 0.16 0.02 0.09 -1.28 -1.23 0.00 0.00 177.57 175.33 1fr0 h SER 698 N 0.09 0.13 0.08 4.19 0.87 -0.71 -1.65 113.55 116.55 1fr0 h SER 698 Ca 0.54 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 61.04 1fr0 h SER 698 Cb 1.97 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.90 1fr0 h SER 698 CO -0.07 0.10 -0.23 0.58 -0.53 0.00 0.00 176.83 176.68 1fr0 h VAL 699 N 0.20 1.24 -0.83 2.23 2.07 -0.16 -2.24 116.25 118.76 1fr0 h VAL 699 Ca 0.08 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1fr0 h VAL 699 Cb 0.03 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1fr0 h VAL 699 CO -0.06 0.34 0.48 0.25 0.02 0.00 0.00 177.57 178.59 1fr0 h LEU 700 N 0.25 1.01 -0.23 2.57 5.85 -0.64 -0.59 115.31 123.54 1fr0 h LEU 700 Ca 0.04 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 1fr0 h LEU 700 Cb 0.56 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1fr0 h LEU 700 CO 0.04 0.80 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.40 1fr0 h GLU 701 N 1.14 0.72 -0.95 1.25 4.81 -1.00 -1.15 114.58 119.40 1fr0 h GLU 701 Ca 0.29 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1fr0 h GLU 701 Cb -0.01 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1fr0 h GLU 701 CO -0.05 1.08 0.58 1.03 -0.73 0.00 0.00 179.01 180.92 1fr0 h SER 702 N 0.44 1.13 0.68 1.04 0.87 -1.09 -2.14 113.55 114.48 1fr0 h SER 702 Ca 0.01 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1fr0 h SER 702 Cb 1.06 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1fr0 h SER 702 CO 0.10 0.86 -0.79 0.78 -0.53 0.00 0.00 176.83 177.26 1fr0 h ASN 703 N 1.31 0.10 -0.15 6.23 4.21 -1.06 -2.87 115.58 123.34 1fr0 h ASN 703 Ca 0.34 -0.07 0.02 0.00 1.21 0.00 0.00 56.30 57.80 1fr0 h ASN 703 Cb -0.07 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1fr0 h ASN 703 CO -0.07 0.84 0.03 0.25 -1.29 0.00 0.00 177.43 177.20 1fr0 h LEU 704 N 0.04 0.01 -0.28 1.61 5.85 -0.55 -0.70 115.31 121.30 1fr0 h LEU 704 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fr0 h LEU 704 Cb 1.38 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1fr0 h LEU 704 CO 0.11 0.03 0.00 1.07 -0.34 0.00 0.00 178.44 179.31 1fr0 n THR 705 N -5.08 0.67 1.30 1.05 5.66 -1.04 -2.41 114.28 114.43 1fr0 n THR 705 Ca -0.04 0.04 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1fr0 n THR 705 Cb 0.07 -0.87 0.43 0.00 -1.55 0.00 0.00 70.33 68.41 1fr0 n THR 705 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fr0 n ALA 706 N -1.70 2.54 -1.61 1.79 0.00 -0.36 -4.90 120.51 116.27 1fr0 n ALA 706 Ca 0.04 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 1fr0 n ALA 706 Cb 0.30 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 0.34 -1.03 -3.03 0.00 1.13 -0.84 -4.92 117.38 109.03 1fr0 n GLN 707 Ca 0.17 0.94 -0.44 0.00 -1.94 0.00 0.00 57.00 55.73 1fr0 n GLN 707 Cb 0.36 -5.08 -0.01 0.00 0.11 0.00 0.00 30.24 25.62 1fr0 n GLN 707 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1fr0 s ASP 708 N -2.74 6.98 0.00 1.08 2.15 -0.67 -4.88 116.67 118.60 1fr0 s ASP 708 Ca 0.00 -2.83 0.00 0.00 0.43 0.00 0.00 52.55 50.15 1fr0 s ASP 708 Cb 0.00 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1fr0 s ASP 708 CO 0.00 -0.74 0.62 1.17 -0.17 0.00 0.00 175.17 176.05 1fr0 n LYS 709 N 5.30 0.00 -0.44 4.34 4.81 -1.26 -1.79 118.16 129.12 1fr0 n LYS 709 Ca 0.30 0.41 0.40 0.00 -0.87 0.00 0.00 58.31 58.55 1fr0 n LYS 709 Cb 0.44 -1.25 0.66 0.00 0.02 0.00 0.00 35.03 34.91 1fr0 n LYS 709 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1fr0 h LYS 710 N 0.00 0.00 0.08 1.64 2.10 -1.99 0.39 116.57 118.79 1fr0 h LYS 710 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1fr0 h LYS 710 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1fr0 h LYS 710 CO 0.00 0.00 -0.04 0.78 -2.00 0.00 0.00 179.45 178.19 1fr0 h GLY 711 N 0.00 -0.12 1.00 0.07 0.00 -1.93 -2.63 103.07 99.46 1fr0 h GLY 711 Ca 0.69 0.04 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1fr0 h GLY 711 CO -0.01 -0.04 0.19 -2.22 0.00 0.00 0.00 176.54 174.46 1fr0 h ILE 712 N -0.81 1.08 0.30 2.60 2.04 0.54 -2.78 117.51 120.48 1fr0 h ILE 712 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1fr0 h ILE 712 Cb 0.59 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1fr0 h ILE 712 CO 0.02 0.08 -0.29 0.58 0.00 0.00 0.00 178.15 178.54 1fr0 h VAL 713 N 0.39 0.00 -0.80 1.67 2.07 -1.31 -0.21 116.25 118.06 1fr0 h VAL 713 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 1fr0 h VAL 713 Cb -0.03 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.62 1fr0 h VAL 713 CO -0.02 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.76 1fr0 h GLU 714 N -0.59 -0.11 0.00 1.57 4.39 -1.46 2.23 114.58 120.61 1fr0 h GLU 714 Ca -0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1fr0 h GLU 714 Cb 0.51 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1fr0 h GLU 714 CO -0.03 -0.07 0.00 0.39 -1.16 0.00 0.00 179.01 178.14 1fr0 n GLU 715 N -5.37 0.16 0.00 2.33 1.02 -1.05 -1.59 120.64 116.13 1fr0 n GLU 715 Ca 0.03 0.58 -0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1fr0 n GLU 715 Cb 0.33 -1.93 -0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1fr0 n GLU 715 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1fr0 h GLY 716 N 0.65 -0.03 2.00 0.62 0.00 0.56 -2.69 103.07 104.18 1fr0 h GLY 716 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1fr0 h GLY 716 CO 0.00 -0.01 -0.14 1.12 0.00 0.00 0.00 176.54 177.51 1fr0 h HIS 717 N -0.15 0.00 0.29 5.60 2.07 -1.35 -0.42 115.15 121.19 1fr0 h HIS 717 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 1fr0 h HIS 717 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 1fr0 h HIS 717 CO 0.02 0.14 -0.14 0.87 -3.07 0.00 0.00 177.93 175.75 1fr0 h LYS 718 N 0.00 -0.38 0.54 5.12 1.57 -1.44 0.13 116.57 122.11 1fr0 h LYS 718 Ca -0.00 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1fr0 h LYS 718 Cb 0.25 0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1fr0 h LYS 718 CO 0.02 -0.07 -0.26 0.82 -0.57 0.00 0.00 179.45 179.39 1fr0 h ILE 719 N -0.72 0.00 -0.69 1.86 5.03 -1.29 -2.38 117.51 119.31 1fr0 h ILE 719 Ca -0.04 -0.29 0.15 0.00 -0.12 0.00 0.00 64.86 64.56 1fr0 h ILE 719 Cb 0.49 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.17 1fr0 h ILE 719 CO 0.07 0.00 0.09 0.11 -0.68 0.00 0.00 178.15 177.73 1fr0 h LYS 720 N -1.01 0.18 -0.98 2.37 6.56 -1.20 0.31 116.57 122.79 1fr0 h LYS 720 Ca -0.07 -0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.63 1fr0 h LYS 720 Cb 0.55 -0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.09 1fr0 h LYS 720 CO 0.12 0.12 0.62 0.78 -2.06 0.00 0.00 179.45 179.03 1fr0 h GLY 721 N 0.19 1.56 0.53 3.86 0.00 -0.73 -0.15 103.07 108.33 1fr0 h GLY 721 Ca 0.38 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1fr0 h GLY 721 CO -0.54 0.14 -0.26 0.00 0.00 0.00 0.00 176.54 175.88 1fr0 h ALA 722 N 1.56 -0.87 -0.82 3.60 0.00 0.13 -3.18 119.26 119.68 1fr0 h ALA 722 Ca 0.49 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.44 1fr0 h ALA 722 Cb 0.55 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1fr0 h ALA 722 CO -0.26 -0.82 0.22 0.00 0.00 0.00 0.00 179.25 178.39 1fr0 h ALA 723 N -1.42 1.13 -1.30 0.00 0.00 -1.07 0.54 119.26 117.14 1fr0 h ALA 723 Ca -0.07 0.19 0.38 0.00 0.00 0.00 0.00 54.91 55.41 1fr0 h ALA 723 Cb 0.55 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1fr0 h ALA 723 CO 0.12 -0.39 0.90 0.78 0.00 0.00 0.00 179.25 180.67 1fr0 h GLY 724 N 0.26 0.49 2.00 0.00 0.00 -0.98 1.61 103.07 106.44 1fr0 h GLY 724 Ca 0.49 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 1fr0 h GLY 724 CO -0.58 -0.10 -0.33 1.48 0.00 0.00 0.00 176.54 177.01 1fr0 h SER 725 N 0.10 0.00 -0.14 0.19 4.64 0.08 -2.52 113.55 115.90 1fr0 h SER 725 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1fr0 h SER 725 Cb 2.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.49 1fr0 h SER 725 CO -0.14 0.33 0.00 0.52 -0.87 0.00 0.00 176.83 176.67 1fr0 n VAL 726 N -3.45 0.22 -0.18 0.95 0.31 0.54 -4.79 118.33 111.93 1fr0 n VAL 726 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1fr0 n VAL 726 Cb 0.50 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.69 0.75 3.47 2.92 0.00 -0.95 -4.89 105.19 107.19 1fr0 n GLY 727 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 5.20 0.15 0.99 4.77 -0.82 -1.99 117.00 125.30 1fr0 n LEU 728 Ca 0.00 -4.37 0.03 0.00 -0.03 0.00 0.00 56.01 51.63 1fr0 n LEU 728 Cb 0.00 -1.64 0.13 0.00 -2.33 0.00 0.00 43.42 39.58 1fr0 n LEU 728 CO 0.00 0.64 0.51 0.08 -1.33 0.00 0.00 177.39 177.30 1fr0 h ARG 729 N 7.17 0.00 -0.59 3.23 0.11 -1.69 -2.69 114.38 119.93 1fr0 h ARG 729 Ca 0.34 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.35 1fr0 h ARG 729 Cb 0.87 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.92 1fr0 h ARG 729 CO 1.29 0.51 0.08 1.25 0.10 0.00 0.00 179.97 183.20 1fr0 h HIS 730 N 0.00 1.05 -0.10 4.08 2.76 -1.72 -2.17 115.15 119.05 1fr0 h HIS 730 Ca -0.01 -0.15 -0.20 0.00 -2.20 0.00 0.00 60.37 57.81 1fr0 h HIS 730 Cb 1.24 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 29.93 1fr0 h HIS 730 CO 0.00 0.91 -0.72 -0.07 -1.30 0.00 0.00 177.93 176.76 1fr0 h LEU 731 N 0.88 0.80 -0.76 0.26 -0.00 -1.79 -2.82 115.31 111.88 1fr0 h LEU 731 Ca 0.18 -0.66 0.11 0.00 -0.00 0.00 0.00 57.88 57.50 1fr0 h LEU 731 Cb 0.44 -0.24 -0.08 0.00 -0.00 0.00 0.00 40.66 40.78 1fr0 h LEU 731 CO 0.01 1.34 0.39 -0.61 -0.00 0.00 0.00 178.44 179.57 1fr0 h GLN 732 N 0.33 0.61 0.09 1.13 4.15 -1.36 -1.93 115.11 118.13 1fr0 h GLN 732 Ca -0.06 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1fr0 h GLN 732 Cb 1.36 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1fr0 h GLN 732 CO 0.15 0.40 -0.04 1.96 -1.93 0.00 0.00 178.83 179.37 1fr0 h GLN 733 N 0.63 -0.11 -0.75 1.69 7.50 -1.39 -0.80 115.11 121.88 1fr0 h GLN 733 Ca 0.39 0.01 0.16 0.00 0.50 0.00 0.00 58.65 59.71 1fr0 h GLN 733 Cb 0.45 0.03 -0.14 0.00 0.05 0.00 0.00 27.48 27.86 1fr0 h GLN 733 CO -0.29 0.12 -0.11 -0.07 -1.50 0.00 0.00 178.83 176.97 1fr0 h LEU 734 N -0.33 -0.56 0.06 1.46 4.07 -1.11 -0.52 115.31 118.37 1fr0 h LEU 734 Ca -0.01 0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 1fr0 h LEU 734 Cb 0.28 0.42 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1fr0 h LEU 734 CO 0.02 -0.23 -0.03 1.23 -1.08 0.00 0.00 178.44 178.36 1fr0 h GLY 735 N 0.04 -0.08 -0.50 0.83 0.00 -1.26 0.78 103.07 102.88 1fr0 h GLY 735 Ca 0.38 0.03 0.26 0.00 0.00 0.00 0.00 47.33 48.00 1fr0 h GLY 735 CO -0.73 -0.03 1.00 -1.61 0.00 0.00 0.00 176.54 175.17 1fr0 h GLN 736 N -0.43 0.00 0.00 4.80 5.75 0.40 0.54 115.11 126.17 1fr0 h GLN 736 Ca -0.01 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.15 1fr0 h GLN 736 Cb 0.38 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.87 1fr0 h GLN 736 CO 0.01 0.00 -2.29 1.04 -2.65 0.00 0.00 178.83 174.95 1fr0 n GLN 737 N -3.39 0.92 0.09 1.69 1.13 -0.74 -4.24 117.38 112.84 1fr0 n GLN 737 Ca 0.19 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.34 1fr0 n GLN 737 Cb 1.28 -1.48 0.39 0.00 0.11 0.00 0.00 30.24 30.55 1fr0 n GLN 737 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1fr0 n ILE 738 N -2.74 1.18 1.71 5.09 5.41 0.18 -1.33 119.36 128.86 1fr0 n ILE 738 Ca -0.31 0.47 0.13 0.00 1.00 0.00 0.00 62.75 64.03 1fr0 n ILE 738 Cb 1.09 -1.41 0.62 0.00 -0.71 0.00 0.00 39.64 39.23 1fr0 n ILE 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fr0 n GLN 739 N -1.97 1.32 -2.58 0.38 -0.00 -0.79 -3.99 117.38 109.75 1fr0 n GLN 739 Ca 0.01 -0.47 -0.29 0.00 -0.00 0.00 0.00 57.00 56.24 1fr0 n GLN 739 Cb 0.10 -1.42 -0.01 0.00 -0.00 0.00 0.00 30.24 28.92 1fr0 n GLN 739 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1fr0 n SER 740 N -0.37 5.07 -2.36 2.61 3.41 -0.44 -4.90 113.62 116.63 1fr0 n SER 740 Ca 0.19 -3.72 -0.05 0.00 -0.26 0.00 0.00 58.87 55.03 1fr0 n SER 740 Cb 0.21 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1fr0 n SER 740 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1fr0 n PRO 741 N -0.39 0.77 0.00 4.33 -0.04 -1.26 -2.78 135.00 135.63 1fr0 n PRO 741 Ca 0.38 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1fr0 n PRO 741 Cb 0.51 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1fr0 n PRO 741 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fr0 n ASP 742 N 2.90 1.55 -4.77 3.54 8.00 -1.26 -4.95 116.55 121.55 1fr0 n ASP 742 Ca 0.16 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.21 1fr0 n ASP 742 Cb 0.33 0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 1fr0 n ASP 742 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fr0 s LEU 743 N -1.12 4.39 0.56 0.64 1.02 -1.12 -4.88 118.68 118.18 1fr0 s LEU 743 Ca 0.00 2.69 0.36 0.00 0.02 0.00 0.00 54.13 57.20 1fr0 s LEU 743 Cb 0.00 -3.70 1.70 0.00 0.02 0.00 0.00 46.19 44.21 1fr0 s LEU 743 CO 0.00 -0.60 2.08 1.55 0.02 0.00 0.00 176.35 179.41 1fr0 h PRO 744 N 3.24 0.00 0.00 1.29 0.13 -1.97 -2.32 132.00 132.37 1fr0 h PRO 744 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1fr0 h PRO 744 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1fr0 h PRO 744 CO 0.65 0.00 -1.63 0.00 -0.23 0.00 0.00 178.00 176.79 1fr0 n ALA 745 N -2.05 3.43 -0.03 -0.56 0.00 -1.26 -4.35 120.51 115.68 1fr0 n ALA 745 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.74 1fr0 n ALA 745 Cb 0.21 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 0.83 0.00 0.00 7.01 -1.78 -1.26 115.95 120.75 1fr0 h TRP 746 Ca 0.00 -0.36 -0.00 0.00 2.11 0.00 0.00 58.89 60.64 1fr0 h TRP 746 Cb 0.80 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1fr0 h TRP 746 CO 0.00 1.15 -0.00 0.93 -2.79 0.00 0.00 178.44 177.73 1fr0 h GLU 747 N 0.27 0.00 0.00 2.65 5.08 -1.74 0.23 114.58 121.07 1fr0 h GLU 747 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1fr0 h GLU 747 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1fr0 h GLU 747 CO 0.12 0.00 -1.43 -3.47 -1.00 0.00 0.00 179.01 173.23 1fr0 n ASP 748 N -3.09 0.47 -0.04 1.42 2.03 -1.11 -4.27 116.55 111.96 1fr0 n ASP 748 Ca -0.02 -0.29 0.02 0.00 0.52 0.00 0.00 54.79 55.02 1fr0 n ASP 748 Cb 0.15 1.34 -0.16 0.00 -0.72 0.00 0.00 41.12 41.73 1fr0 n ASP 748 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1fr0 n ASN 749 N -2.01 0.09 -0.34 1.67 3.02 -0.49 -4.33 115.26 112.85 1fr0 n ASN 749 Ca -0.00 0.04 0.29 0.00 -0.03 0.00 0.00 54.58 54.87 1fr0 n ASN 749 Cb 0.47 1.41 0.54 0.00 -0.61 0.00 0.00 39.78 41.60 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 0.16 0.39 2.41 2.07 -0.76 0.19 116.25 120.71 1fr0 h VAL 750 Ca -0.24 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1fr0 h VAL 750 Cb 1.55 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1fr0 h VAL 750 CO 0.02 0.03 -0.42 1.23 0.02 0.00 0.00 177.57 178.44 1fr0 h GLY 751 N 0.17 -1.17 2.00 2.17 0.00 -1.83 0.06 103.07 104.46 1fr0 h GLY 751 Ca 0.79 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.67 1fr0 h GLY 751 CO -0.65 -0.35 0.00 -2.09 0.00 0.00 0.00 176.54 173.45 1fr0 h GLU 752 N -0.82 0.00 0.44 4.80 4.57 -1.19 -1.93 114.58 120.44 1fr0 h GLU 752 Ca -0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1fr0 h GLU 752 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1fr0 h GLU 752 CO -0.07 0.00 -0.21 2.35 -1.18 0.00 0.00 179.01 179.90 1fr0 h TRP 753 N 0.00 -0.55 -0.63 0.92 2.91 0.61 -1.06 115.95 118.15 1fr0 h TRP 753 Ca 0.00 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1fr0 h TRP 753 Cb 0.26 0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 29.06 1fr0 h TRP 753 CO 0.00 -0.34 0.24 0.82 -1.03 0.00 0.00 178.44 178.13 1fr0 h ILE 754 N -1.07 1.24 0.76 2.65 1.08 -0.99 0.40 117.51 121.58 1fr0 h ILE 754 Ca -0.06 -0.76 -0.04 0.00 -0.39 0.00 0.00 64.86 63.61 1fr0 h ILE 754 Cb 0.46 0.55 0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1fr0 h ILE 754 CO 0.10 0.30 -0.36 -0.08 -0.69 0.00 0.00 178.15 177.41 1fr0 h GLU 755 N 0.89 -0.98 -0.56 2.37 4.81 -1.44 -1.96 114.58 117.71 1fr0 h GLU 755 Ca 0.21 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1fr0 h GLU 755 Cb 0.22 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1fr0 h GLU 755 CO -0.01 -0.65 0.35 1.49 -0.73 0.00 0.00 179.01 179.46 1fr0 h GLU 756 N -1.05 0.67 -0.19 1.92 4.57 -1.16 -2.73 114.58 116.62 1fr0 h GLU 756 Ca -0.10 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1fr0 h GLU 756 Cb 0.79 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 1fr0 h GLU 756 CO 0.17 0.44 -0.41 1.98 -1.18 0.00 0.00 179.01 180.01 1fr0 h MET 757 N 0.69 -0.44 0.04 1.92 4.05 -0.78 -2.44 114.93 117.97 1fr0 h MET 757 Ca 0.22 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 1fr0 h MET 757 Cb 0.00 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 1fr0 h MET 757 CO -0.09 -0.29 -0.51 -0.22 0.23 0.00 0.00 176.91 176.03 1fr0 h LYS 758 N -0.45 -0.65 -2.93 0.39 3.64 -1.09 0.18 116.57 115.65 1fr0 h LYS 758 Ca 0.09 0.04 -0.65 0.00 -1.27 0.00 0.00 60.65 58.86 1fr0 h LYS 758 Cb 0.61 0.15 0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1fr0 h LYS 758 CO -0.43 -0.43 3.60 0.39 -2.27 0.00 0.00 179.45 180.31 1fr0 n GLU 759 N -5.32 3.68 0.01 1.90 1.02 -0.94 -3.90 120.64 117.09 1fr0 n GLU 759 Ca -0.07 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 1fr0 n GLU 759 Cb 0.38 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 1fr0 n GLU 759 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fr0 n GLU 760 N 3.43 0.00 -0.31 3.49 4.07 -0.92 -4.90 120.64 125.51 1fr0 n GLU 760 Ca 0.77 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 58.01 1fr0 n GLU 760 Cb 0.26 0.00 0.33 0.00 -0.06 0.00 0.00 31.44 31.97 1fr0 n GLU 760 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 1fr0 h TRP 761 N 0.00 0.58 0.03 4.31 5.08 -0.77 -0.32 115.95 124.86 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 -0.11 -0.05 0.00 -3.00 0.00 0.00 29.16 26.00 1fr0 h TRP 761 CO 0.00 -0.13 -0.39 -0.09 -1.28 0.00 0.00 178.44 176.55 1fr0 h ARG 762 N 0.31 -0.54 -0.63 0.12 2.43 -1.79 -1.64 114.38 112.63 1fr0 h ARG 762 Ca 0.59 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.92 1fr0 h ARG 762 Cb 1.18 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.74 1fr0 h ARG 762 CO -0.59 -0.36 -0.15 1.25 -1.51 0.00 0.00 179.97 178.61 1fr0 h HIS 763 N -0.56 -0.32 -0.90 2.20 2.76 -1.42 0.52 115.15 117.42 1fr0 h HIS 763 Ca 0.05 0.06 0.20 0.00 -2.20 0.00 0.00 60.37 58.47 1fr0 h HIS 763 Cb 0.63 0.24 -0.07 0.00 1.55 0.00 0.00 27.41 29.76 1fr0 h HIS 763 CO -0.38 -0.27 0.59 0.22 -1.30 0.00 0.00 177.93 176.80 1fr0 h ASP 764 N 0.00 0.43 0.32 3.26 1.82 -1.01 -1.99 116.42 119.25 1fr0 h ASP 764 Ca 0.30 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1fr0 h ASP 764 Cb 0.47 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1fr0 h ASP 764 CO -0.64 0.18 -0.15 0.58 -1.61 0.00 0.00 179.24 177.59 1fr0 h VAL 765 N 0.43 0.00 -1.21 2.25 2.07 0.60 -2.16 116.25 118.24 1fr0 h VAL 765 Ca 0.47 -0.41 0.35 0.00 0.82 0.00 0.00 66.70 67.93 1fr0 h VAL 765 Cb 1.13 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1fr0 h VAL 765 CO -0.19 0.00 1.10 -0.08 0.02 0.00 0.00 177.57 178.43 1fr0 h GLU 766 N -0.84 0.00 0.07 1.57 4.57 -1.00 0.86 114.58 119.81 1fr0 h GLU 766 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1fr0 h GLU 766 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1fr0 h GLU 766 CO 0.07 0.00 -0.03 0.28 -1.18 0.00 0.00 179.01 178.15 1fr0 h VAL 767 N 0.00 0.44 -0.75 0.32 2.07 -1.28 -2.62 116.25 114.43 1fr0 h VAL 767 Ca 0.57 -1.22 0.18 0.00 0.82 0.00 0.00 66.70 67.05 1fr0 h VAL 767 Cb 2.78 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.32 1fr0 h VAL 767 CO -0.01 0.14 0.52 0.17 0.02 0.00 0.00 177.57 178.41 1fr0 h LEU 768 N -1.00 0.20 -0.25 2.57 8.10 -0.22 0.16 115.31 124.87 1fr0 h LEU 768 Ca -0.01 0.02 -0.11 0.00 0.11 0.00 0.00 57.88 57.89 1fr0 h LEU 768 Cb 0.30 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1fr0 h LEU 768 CO 0.02 0.09 -0.26 0.50 -4.11 0.00 0.00 178.44 174.67 1fr0 h LYS 769 N 0.21 0.63 0.00 0.17 3.64 -1.20 -2.35 116.57 117.66 1fr0 h LYS 769 Ca 0.37 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1fr0 h LYS 769 Cb 1.14 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1fr0 h LYS 769 CO -0.07 0.94 -0.17 0.00 -2.27 0.00 0.00 179.45 177.87 1fr0 h ALA 770 N 0.68 1.07 -0.08 5.00 0.00 -0.49 -2.31 119.26 123.12 1fr0 h ALA 770 Ca 0.04 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1fr0 h ALA 770 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fr0 h ALA 770 CO 0.07 0.22 -0.78 2.35 0.00 0.00 0.00 179.25 181.10 1fr0 h TRP 771 N 0.00 0.69 -0.01 0.00 7.01 -0.52 -3.01 115.95 120.11 1fr0 h TRP 771 Ca -0.00 -0.32 -0.03 0.00 2.11 0.00 0.00 58.89 60.65 1fr0 h TRP 771 Cb 0.63 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 1fr0 h TRP 771 CO 0.00 1.10 -0.11 0.28 -2.79 0.00 0.00 178.44 176.92 1fr0 h VAL 772 N 0.33 1.54 -0.47 2.65 2.07 -1.16 0.99 116.25 122.20 1fr0 h VAL 772 Ca -0.05 -1.75 0.14 0.00 0.82 0.00 0.00 66.70 65.86 1fr0 h VAL 772 Cb 1.38 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.80 1fr0 h VAL 772 CO 0.14 0.47 0.44 0.00 0.02 0.00 0.00 177.57 178.64 1fr0 h ALA 773 N 0.30 2.24 0.00 1.67 0.00 -1.50 -2.72 119.26 119.25 1fr0 h ALA 773 Ca -0.01 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 54.45 1fr0 h ALA 773 Cb 0.82 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1fr0 h ALA 773 CO 0.02 -0.68 -2.48 1.63 0.00 0.00 0.00 179.25 177.74 1fr0 n LYS 774 N -3.90 0.58 0.00 0.00 5.02 -1.14 -4.70 118.16 114.03 1fr0 n LYS 774 Ca 0.09 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1fr0 n LYS 774 Cb 0.63 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fr0 n ALA 775 N -3.92 -0.04 -0.71 7.82 0.00 0.34 -4.54 120.51 119.46 1fr0 n ALA 775 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1fr0 n ALA 775 Cb 0.90 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.63 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 -1.66 0.00 -2.93 0.00 -1.04 -1.10 -4.84 114.28 102.71 1fr0 n THR 776 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1fr0 n THR 776 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.00 -2.30 0.00 -2.82 5.02 -1.26 -4.95 118.16 111.85 1fr0 n LYS 777 Ca 0.00 1.94 0.09 0.00 -2.02 0.00 0.00 58.31 58.33 1fr0 n LYS 777 Cb 0.00 -2.39 0.55 0.00 -0.02 0.00 0.00 35.03 33.17 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05