#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr0 s THR 655 N 0.00 3.36 -0.12 1.09 2.01 -1.26 -4.92 115.64 115.81 1fr0 s THR 655 Ca 0.00 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1fr0 s THR 655 Cb 0.00 -3.50 0.10 0.00 0.01 0.00 0.00 72.50 69.11 1fr0 s THR 655 CO 0.00 -0.32 0.86 -1.61 -0.69 0.00 0.00 174.62 172.86 1fr0 s GLU 656 N 5.88 0.79 0.00 4.92 2.02 -1.26 -5.08 118.70 125.98 1fr0 s GLU 656 Ca 0.84 0.22 0.00 0.00 0.02 0.00 0.00 54.97 56.05 1fr0 s GLU 656 Cb -0.25 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1fr0 s GLU 656 CO 0.34 -0.24 0.00 -1.91 0.02 0.00 0.00 175.26 173.46 1fr0 n GLU 657 N 0.87 0.00 -1.78 1.61 2.13 -1.26 -4.97 120.64 117.24 1fr0 n GLU 657 Ca -0.14 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.65 1fr0 n GLU 657 Cb 0.57 -0.28 0.02 0.00 0.27 0.00 0.00 31.44 32.02 1fr0 n GLU 657 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1fr0 n ASN 658 N -2.45 -0.53 -3.26 4.31 0.23 -1.26 -5.03 115.26 107.27 1fr0 n ASN 658 Ca 0.00 -2.07 -0.07 0.00 -0.53 0.00 0.00 54.58 51.91 1fr0 n ASN 658 Cb 0.16 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1fr0 n ASN 658 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1fr0 n SER 659 N -0.44 -7.00 -0.05 0.53 2.88 -1.26 -4.19 113.62 104.09 1fr0 n SER 659 Ca -0.16 -0.32 0.25 0.00 -1.33 0.00 0.00 58.87 57.31 1fr0 n SER 659 Cb 0.84 -4.35 0.69 0.00 -0.75 0.00 0.00 64.21 60.64 1fr0 n SER 659 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1fr0 h LYS 660 N 0.22 0.00 -2.19 -1.46 1.63 -1.99 -2.12 116.57 110.66 1fr0 h LYS 660 Ca -0.18 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.04 1fr0 h LYS 660 Cb 1.11 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 32.33 1fr0 h LYS 660 CO 0.32 0.00 -0.70 0.43 -3.45 0.00 0.00 179.45 176.05 1fr0 n SER 661 N -3.73 3.47 0.00 4.20 7.64 -1.26 -4.74 113.62 119.20 1fr0 n SER 661 Ca 0.14 -3.43 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1fr0 n SER 661 Cb 0.91 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.50 0.00 0.09 1.43 1.02 -0.93 -4.95 120.64 117.80 1fr0 n GLU 662 Ca 0.29 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1fr0 n GLU 662 Cb 0.43 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 32.31 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 0.00 1.93 -0.03 0.62 0.00 -0.84 -3.05 120.51 119.13 1fr0 n ALA 663 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1fr0 n ALA 663 Cb 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.09 0.49 -4.36 0.00 4.32 -1.26 -4.56 117.00 109.54 1fr0 n LEU 664 Ca 0.04 0.22 -0.21 0.00 -0.02 0.00 0.00 56.01 56.04 1fr0 n LEU 664 Cb 0.30 0.23 -0.11 0.00 -1.62 0.00 0.00 43.42 42.22 1fr0 n LEU 664 CO 0.23 0.30 -0.47 -1.48 -1.22 0.00 0.00 177.39 174.75 1fr0 s LEU 665 N -5.62 2.49 -0.59 2.23 2.34 -1.17 -0.09 118.68 118.27 1fr0 s LEU 665 Ca -0.06 -0.93 -0.22 0.00 0.06 0.00 0.00 54.13 52.98 1fr0 s LEU 665 Cb 0.08 -0.84 0.07 0.00 -0.56 0.00 0.00 46.19 44.93 1fr0 s LEU 665 CO 0.83 -0.05 0.84 -0.62 -1.06 0.00 0.00 176.35 176.29 1fr0 s ASP 666 N -2.96 6.23 0.22 1.48 -1.08 -0.73 -4.71 116.67 115.11 1fr0 s ASP 666 Ca 0.20 -0.88 -0.08 0.00 -0.52 0.00 0.00 52.55 51.27 1fr0 s ASP 666 Cb -0.04 -2.38 0.18 0.00 -1.46 0.00 0.00 42.92 39.22 1fr0 s ASP 666 CO 0.08 -1.22 1.82 0.40 0.52 0.00 0.00 175.17 176.77 1fr0 h ILE 667 N 5.95 1.26 -0.13 4.11 5.03 -1.90 0.12 117.51 131.95 1fr0 h ILE 667 Ca -0.28 -0.71 -0.23 0.00 -0.12 0.00 0.00 64.86 63.53 1fr0 h ILE 667 Cb 1.08 0.18 0.01 0.00 -3.03 0.00 0.00 36.82 35.06 1fr0 h ILE 667 CO 1.10 0.31 -0.81 1.55 -0.68 0.00 0.00 178.15 179.62 1fr0 h PRO 668 N 1.19 0.76 -0.37 2.37 0.13 -1.99 -2.41 132.00 131.68 1fr0 h PRO 668 Ca 0.29 -0.64 -0.16 0.00 -0.87 0.00 0.00 66.00 64.62 1fr0 h PRO 668 Cb 0.11 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1fr0 h PRO 668 CO -0.04 1.25 -0.38 1.98 -0.23 0.00 0.00 178.00 180.57 1fr0 h MET 669 N 0.51 0.92 0.83 0.86 4.05 -1.92 -2.19 114.93 117.99 1fr0 h MET 669 Ca -0.06 -0.49 -0.04 0.00 -0.28 0.00 0.00 59.70 58.83 1fr0 h MET 669 Cb 1.43 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.26 1fr0 h MET 669 CO 0.16 1.14 -0.40 -0.07 0.23 0.00 0.00 176.91 177.98 1fr0 h LEU 670 N 0.73 -0.94 -0.71 3.39 3.38 -0.78 -2.04 115.31 118.34 1fr0 h LEU 670 Ca 0.06 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1fr0 h LEU 670 Cb 0.98 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 1fr0 h LEU 670 CO 0.09 -0.66 0.16 -0.08 0.09 0.00 0.00 178.44 178.04 1fr0 h GLU 671 N -1.13 0.25 -0.40 1.13 4.22 -1.47 0.24 114.58 117.42 1fr0 h GLU 671 Ca -0.11 -0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.39 1fr0 h GLU 671 Cb 0.86 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 1fr0 h GLU 671 CO 0.19 0.16 -0.20 0.37 -2.18 0.00 0.00 179.01 177.35 1fr0 h GLN 672 N 0.26 -0.12 -0.85 1.92 4.15 -1.07 0.39 115.11 119.79 1fr0 h GLN 672 Ca 0.40 0.01 0.19 0.00 0.77 0.00 0.00 58.65 60.02 1fr0 h GLN 672 Cb 0.66 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.32 1fr0 h GLN 672 CO -0.50 -0.08 0.57 1.88 -1.93 0.00 0.00 178.83 178.77 1fr0 h TYR 673 N -0.13 0.45 0.00 3.99 -1.99 -0.24 0.64 116.97 119.70 1fr0 h TYR 673 Ca 0.19 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.92 1fr0 h TYR 673 Cb 0.43 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 1fr0 h TYR 673 CO -0.43 0.14 -0.10 -0.07 -0.00 0.00 0.00 178.16 177.70 1fr0 h LEU 674 N 0.36 0.00 -0.13 3.88 3.38 0.16 0.08 115.31 123.04 1fr0 h LEU 674 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1fr0 h LEU 674 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1fr0 h LEU 674 CO -0.14 0.10 0.00 1.21 0.09 0.00 0.00 178.44 179.70 1fr0 n GLU 675 N -3.18 1.04 0.00 1.13 2.13 0.22 -3.45 120.64 118.54 1fr0 n GLU 675 Ca 0.02 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1fr0 n GLU 675 Cb 0.44 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.10 1fr0 n GLU 675 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1fr0 n LEU 676 N -0.42 0.00 -0.04 4.31 -0.00 -1.08 -4.96 117.00 114.80 1fr0 n LEU 676 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1fr0 n LEU 676 Cb 0.03 0.18 -0.09 0.00 -0.00 0.00 0.00 43.42 43.55 1fr0 n LEU 676 CO 0.00 -0.44 -0.81 1.33 -0.00 0.00 0.00 177.39 177.47 1fr0 n VAL 677 N -2.39 0.60 -1.79 1.47 0.24 -0.10 -5.12 118.33 111.24 1fr0 n VAL 677 Ca 0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1fr0 n VAL 677 Cb 0.00 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 2.25 -2.05 0.00 7.63 0.00 -0.50 -4.14 105.19 108.38 1fr0 n GLY 678 Ca -0.15 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.05 0.68 0.01 1.61 -0.04 -1.26 -3.54 135.00 132.40 1fr0 n PRO 679 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1fr0 n PRO 679 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.04 -0.19 0.54 3.64 -1.97 -0.88 116.57 117.67 1fr0 h LYS 680 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1fr0 h LYS 680 Cb 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1fr0 h LYS 680 CO 0.00 0.34 -0.53 1.25 -2.27 0.00 0.00 179.45 178.24 1fr0 h LEU 681 N -0.43 0.80 -0.92 5.20 5.85 -1.79 -0.19 115.31 123.83 1fr0 h LEU 681 Ca -0.00 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 1fr0 h LEU 681 Cb 0.40 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1fr0 h LEU 681 CO 0.01 1.24 0.55 0.40 -0.34 0.00 0.00 178.44 180.29 1fr0 h ILE 682 N 0.40 1.25 0.07 4.05 2.04 -1.67 0.23 117.51 123.88 1fr0 h ILE 682 Ca -0.01 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1fr0 h ILE 682 Cb 1.15 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1fr0 h ILE 682 CO 0.11 0.27 -0.03 0.74 0.00 0.00 0.00 178.15 179.24 1fr0 h THR 683 N 1.27 0.00 -0.57 -0.27 2.02 -1.14 -2.28 112.91 111.94 1fr0 h THR 683 Ca 0.33 -0.69 0.11 0.00 0.77 0.00 0.00 66.41 66.93 1fr0 h THR 683 Cb -0.05 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.27 1fr0 h THR 683 CO -0.06 0.00 0.02 -0.78 0.37 0.00 0.00 175.52 175.07 1fr0 h ASP 684 N -0.79 -0.21 -0.86 4.18 3.58 -1.08 0.19 116.42 121.43 1fr0 h ASP 684 Ca -0.01 0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1fr0 h ASP 684 Cb 0.07 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 1fr0 h ASP 684 CO 0.02 -0.08 0.57 1.23 -2.88 0.00 0.00 179.24 178.10 1fr0 h GLY 685 N 0.14 1.22 1.79 -0.78 0.00 -0.67 -1.50 103.07 103.26 1fr0 h GLY 685 Ca 0.30 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1fr0 h GLY 685 CO -0.47 0.44 -0.23 -2.00 0.00 0.00 0.00 176.54 174.28 1fr0 h LEU 686 N 1.17 0.25 0.81 3.11 5.85 -0.26 -1.65 115.31 124.58 1fr0 h LEU 686 Ca 0.32 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1fr0 h LEU 686 Cb -0.13 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 40.84 1fr0 h LEU 686 CO -0.07 0.49 -0.39 0.00 -0.34 0.00 0.00 178.44 178.13 1fr0 h ALA 687 N 1.54 -1.11 0.04 1.25 0.00 0.30 0.14 119.26 121.42 1fr0 h ALA 687 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1fr0 h ALA 687 Cb 0.54 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1fr0 h ALA 687 CO 0.04 -1.03 -0.12 0.28 0.00 0.00 0.00 179.25 178.42 1fr0 h VAL 688 N -1.27 0.71 -0.12 0.00 2.07 -1.46 -0.55 116.25 115.65 1fr0 h VAL 688 Ca -0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1fr0 h VAL 688 Cb 0.83 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1fr0 h VAL 688 CO 0.18 0.00 0.11 0.15 0.02 0.00 0.00 177.57 178.03 1fr0 h PHE 689 N -0.22 0.00 0.02 1.57 3.57 -1.33 -2.31 116.94 118.25 1fr0 h PHE 689 Ca 0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1fr0 h PHE 689 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1fr0 h PHE 689 CO -0.16 0.00 -0.01 0.93 -2.23 0.00 0.00 178.31 176.84 1fr0 h GLU 690 N 0.00 -0.03 -0.90 1.11 4.39 0.80 0.30 114.58 120.25 1fr0 h GLU 690 Ca 0.06 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.93 1fr0 h GLU 690 Cb 0.28 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.86 1fr0 h GLU 690 CO -0.00 0.59 0.58 -0.22 -1.16 0.00 0.00 179.01 178.80 1fr0 h LYS 691 N -0.69 0.57 -0.03 2.33 3.64 -0.70 0.92 116.57 122.62 1fr0 h LYS 691 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1fr0 h LYS 691 Cb 0.63 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1fr0 h LYS 691 CO 0.01 0.38 -0.04 -1.33 -2.27 0.00 0.00 179.45 176.19 1fr0 n MET 692 N -4.57 2.17 0.23 1.90 2.81 -1.04 -4.42 117.12 114.20 1fr0 n MET 692 Ca 0.19 -1.76 -0.15 0.00 -1.81 0.00 0.00 57.70 54.17 1fr0 n MET 692 Cb 0.56 -1.46 -0.08 0.00 -0.71 0.00 0.00 33.22 31.53 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 4.29 -0.51 -0.12 0.03 1.85 0.22 0.20 114.93 120.88 1fr0 h MET 693 Ca 0.00 0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 59.02 1fr0 h MET 693 Cb 0.93 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 1fr0 h MET 693 CO 0.00 -0.32 -0.38 -1.00 -0.40 0.00 0.00 176.91 174.81 1fr0 h PRO 694 N -0.56 0.26 -0.03 0.39 0.13 -1.78 -2.67 132.00 127.74 1fr0 h PRO 694 Ca -0.05 -0.12 -0.14 0.00 -0.87 0.00 0.00 66.00 64.82 1fr0 h PRO 694 Cb 0.42 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 1fr0 h PRO 694 CO 0.09 0.61 -0.62 0.78 -0.23 0.00 0.00 178.00 178.62 1fr0 h GLY 695 N 1.16 0.13 0.60 1.56 0.00 -1.72 -2.25 103.07 102.56 1fr0 h GLY 695 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1fr0 h GLY 695 CO 0.06 0.15 -0.29 -1.82 0.00 0.00 0.00 176.54 174.64 1fr0 h TYR 696 N 0.09 -0.75 -0.41 5.60 5.03 -0.28 -2.46 116.97 123.79 1fr0 h TYR 696 Ca -0.01 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.40 1fr0 h TYR 696 Cb 1.12 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 39.63 1fr0 h TYR 696 CO 0.01 -0.47 0.30 -0.39 -1.32 0.00 0.00 178.16 176.29 1fr0 h VAL 697 N -1.11 0.77 -0.16 1.81 -1.51 -1.56 -0.74 116.25 113.75 1fr0 h VAL 697 Ca -0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1fr0 h VAL 697 Cb 0.62 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1fr0 h VAL 697 CO 0.14 0.00 0.09 -1.28 -1.23 0.00 0.00 177.57 175.29 1fr0 h SER 698 N 0.00 0.20 0.53 4.19 0.87 -1.23 -1.59 113.55 116.51 1fr0 h SER 698 Ca 0.19 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1fr0 h SER 698 Cb 0.79 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1fr0 h SER 698 CO -0.00 0.20 -0.28 0.58 -0.53 0.00 0.00 176.83 176.80 1fr0 h VAL 699 N 0.18 0.89 0.25 2.23 2.07 -0.70 -2.76 116.25 118.41 1fr0 h VAL 699 Ca 0.06 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1fr0 h VAL 699 Cb 0.04 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1fr0 h VAL 699 CO -0.01 0.28 -0.12 0.25 0.02 0.00 0.00 177.57 177.98 1fr0 h LEU 700 N 0.00 -0.29 -0.57 2.57 5.85 -0.35 -1.81 115.31 120.71 1fr0 h LEU 700 Ca -0.00 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1fr0 h LEU 700 Cb 0.62 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1fr0 h LEU 700 CO 0.04 -0.12 0.35 -0.08 -0.34 0.00 0.00 178.44 178.28 1fr0 h GLU 701 N -0.44 0.67 -0.99 1.25 4.81 -1.25 -1.24 114.58 117.40 1fr0 h GLU 701 Ca -0.03 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1fr0 h GLU 701 Cb 0.33 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 1fr0 h GLU 701 CO 0.06 0.45 0.62 0.77 -0.73 0.00 0.00 179.01 180.17 1fr0 h SER 702 N 0.70 0.82 -0.08 1.04 0.02 -1.27 0.12 113.55 114.89 1fr0 h SER 702 Ca 0.22 0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 61.10 1fr0 h SER 702 Cb 0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1fr0 h SER 702 CO -0.09 0.37 -0.43 0.78 -1.14 0.00 0.00 176.83 176.32 1fr0 h ASN 703 N 0.84 0.65 -0.07 3.07 4.21 -0.38 -2.76 115.58 121.14 1fr0 h ASN 703 Ca 0.53 -0.30 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1fr0 h ASN 703 Cb 0.73 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1fr0 h ASN 703 CO -0.31 0.99 0.04 0.25 -1.29 0.00 0.00 177.43 177.12 1fr0 h LEU 704 N 0.50 0.08 -0.92 1.61 5.85 0.19 -0.47 115.31 122.16 1fr0 h LEU 704 Ca 0.04 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1fr0 h LEU 704 Cb 0.95 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1fr0 h LEU 704 CO 0.08 0.07 -0.54 0.74 -0.34 0.00 0.00 178.44 178.45 1fr0 h THR 705 N 0.10 1.39 -0.39 1.05 2.02 -1.09 -2.62 112.91 113.37 1fr0 h THR 705 Ca 0.03 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1fr0 h THR 705 Cb 0.00 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1fr0 h THR 705 CO -0.00 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.42 1fr0 n ALA 706 N -2.44 2.45 -3.36 6.16 0.00 -0.27 -4.92 120.51 118.13 1fr0 n ALA 706 Ca -0.01 -0.83 -0.24 0.00 0.00 0.00 0.00 53.44 52.36 1fr0 n ALA 706 Cb 0.55 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 0.96 -5.31 -2.54 0.00 0.00 -0.68 -4.87 117.38 104.94 1fr0 n GLN 707 Ca 0.18 0.75 -0.43 0.00 -0.00 0.00 0.00 57.00 57.50 1fr0 n GLN 707 Cb 0.46 -5.63 0.00 0.00 0.00 0.00 0.00 30.24 25.07 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 -2.63 5.16 -0.10 1.69 8.00 -0.87 -4.78 116.55 123.03 1fr0 n ASP 708 Ca -0.04 -3.08 0.22 0.00 0.71 0.00 0.00 54.79 52.60 1fr0 n ASP 708 Cb 0.58 -1.50 0.65 0.00 -0.02 0.00 0.00 41.12 40.83 1fr0 n ASP 708 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1fr0 h LYS 709 N 6.15 0.10 -0.28 -1.24 2.10 -1.89 -0.01 116.57 121.49 1fr0 h LYS 709 Ca 0.37 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.99 1fr0 h LYS 709 Cb 0.70 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1fr0 h LYS 709 CO 1.50 0.07 0.10 0.87 -2.00 0.00 0.00 179.45 179.99 1fr0 h LYS 710 N 0.10 0.43 -0.14 0.07 1.57 -1.99 0.99 116.57 117.60 1fr0 h LYS 710 Ca 0.34 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 1fr0 h LYS 710 Cb 1.20 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1fr0 h LYS 710 CO -0.04 0.48 -0.69 0.78 -0.57 0.00 0.00 179.45 179.41 1fr0 h GLY 711 N 0.30 0.64 0.73 3.86 0.00 -1.52 -2.63 103.07 104.45 1fr0 h GLY 711 Ca 0.09 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 1fr0 h GLY 711 CO -0.01 0.76 -0.05 -2.22 0.00 0.00 0.00 176.54 175.03 1fr0 h ILE 712 N 0.41 1.06 0.74 2.60 2.04 -0.91 -1.50 117.51 121.95 1fr0 h ILE 712 Ca -0.02 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1fr0 h ILE 712 Cb 1.27 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1fr0 h ILE 712 CO 0.13 0.14 -0.45 0.58 0.00 0.00 0.00 178.15 178.55 1fr0 h VAL 713 N -0.40 0.00 -0.77 1.67 2.07 -0.86 0.10 116.25 118.06 1fr0 h VAL 713 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.67 1fr0 h VAL 713 Cb 0.34 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.00 1fr0 h VAL 713 CO 0.02 0.00 0.23 -0.08 0.02 0.00 0.00 177.57 177.77 1fr0 h GLU 714 N -1.11 0.31 0.00 1.57 4.22 -1.54 1.49 114.58 119.52 1fr0 h GLU 714 Ca -0.10 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1fr0 h GLU 714 Cb 0.89 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1fr0 h GLU 714 CO 0.10 0.21 0.00 0.39 -2.18 0.00 0.00 179.01 177.53 1fr0 n GLU 715 N -5.11 0.02 -0.01 1.92 1.02 -0.56 -2.13 120.64 115.78 1fr0 n GLU 715 Ca 0.16 0.23 -0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1fr0 n GLU 715 Cb 0.49 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 2.83 -0.03 2.00 0.62 0.00 0.47 -2.66 103.07 106.31 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 -0.15 1.12 0.00 0.00 0.00 176.54 177.51 1fr0 h HIS 717 N -0.39 0.00 0.18 5.60 2.07 -1.54 -1.12 115.15 119.95 1fr0 h HIS 717 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 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 0.01 0.15 -0.09 -0.22 -3.07 0.00 0.00 177.93 174.71 1fr0 h LYS 718 N 0.00 -0.23 0.33 5.12 3.64 -1.57 -1.41 116.57 122.45 1fr0 h LYS 718 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1fr0 h LYS 718 Cb 0.38 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1fr0 h LYS 718 CO 0.02 0.17 -0.16 0.82 -2.27 0.00 0.00 179.45 178.03 1fr0 h ILE 719 N -0.88 0.63 0.00 2.00 2.04 -1.40 -2.30 117.51 117.60 1fr0 h ILE 719 Ca -0.02 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1fr0 h ILE 719 Cb 0.51 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1fr0 h ILE 719 CO 0.04 0.11 0.00 0.11 0.00 0.00 0.00 178.15 178.41 1fr0 h LYS 720 N -0.81 0.00 0.15 2.37 6.56 -1.36 -1.40 116.57 122.09 1fr0 h LYS 720 Ca -0.05 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.26 1fr0 h LYS 720 Cb 0.52 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.19 1fr0 h LYS 720 CO 0.08 0.00 -1.29 0.78 -2.06 0.00 0.00 179.45 176.96 1fr0 h GLY 721 N 0.34 0.40 1.62 3.86 0.00 -0.98 -2.12 103.07 106.18 1fr0 h GLY 721 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.18 1fr0 h GLY 721 CO 0.00 0.88 -0.55 0.00 0.00 0.00 0.00 176.54 176.87 1fr0 h ALA 722 N 0.48 0.81 0.00 3.60 0.00 -0.70 -3.12 119.26 120.33 1fr0 h ALA 722 Ca -0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1fr0 h ALA 722 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1fr0 h ALA 722 CO 0.22 0.69 -0.03 0.00 0.00 0.00 0.00 179.25 180.14 1fr0 h ALA 723 N 1.11 0.00 -1.14 0.00 0.00 -1.54 -3.26 119.26 114.43 1fr0 h ALA 723 Ca 0.00 -0.44 0.32 0.00 0.00 0.00 0.00 54.91 54.80 1fr0 h ALA 723 Cb 1.06 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1fr0 h ALA 723 CO 0.09 -0.05 0.76 0.78 0.00 0.00 0.00 179.25 180.83 1fr0 h GLY 724 N -0.84 0.97 2.00 0.00 0.00 -1.33 1.00 103.07 104.87 1fr0 h GLY 724 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1fr0 h GLY 724 CO 0.01 -0.16 -0.33 0.23 0.00 0.00 0.00 176.54 176.28 1fr0 h SER 725 N 0.24 0.00 -0.11 0.19 0.87 -1.58 -1.86 113.55 111.31 1fr0 h SER 725 Ca 0.64 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1fr0 h SER 725 Cb 1.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 1fr0 h SER 725 CO -0.26 0.33 0.00 0.52 -0.53 0.00 0.00 176.83 176.89 1fr0 n VAL 726 N -3.86 0.14 0.00 2.23 0.31 0.34 -4.79 118.33 112.71 1fr0 n VAL 726 Ca -0.01 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1fr0 n VAL 726 Cb 0.41 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.73 0.92 3.12 2.92 0.00 -0.71 -4.99 105.19 107.19 1fr0 n GLY 727 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 6.05 0.25 0.99 4.77 -0.59 -1.78 117.00 126.69 1fr0 n LEU 728 Ca 0.00 -4.69 0.12 0.00 -0.03 0.00 0.00 56.01 51.41 1fr0 n LEU 728 Cb 0.00 -1.50 0.67 0.00 -2.33 0.00 0.00 43.42 40.26 1fr0 n LEU 728 CO 0.00 1.19 0.94 0.08 -1.33 0.00 0.00 177.39 178.28 1fr0 h ARG 729 N 6.25 0.00 0.50 3.23 0.11 -1.46 -2.40 114.38 120.61 1fr0 h ARG 729 Ca 0.33 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.38 1fr0 h ARG 729 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 1fr0 h ARG 729 CO 1.41 0.14 -0.25 1.25 0.10 0.00 0.00 179.97 182.63 1fr0 h HIS 730 N 0.00 -0.64 -0.42 4.08 2.76 -0.74 -2.46 115.15 117.72 1fr0 h HIS 730 Ca -0.00 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1fr0 h HIS 730 Cb 0.38 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1fr0 h HIS 730 CO 0.00 -0.40 -0.24 -0.07 -1.30 0.00 0.00 177.93 175.92 1fr0 h LEU 731 N -0.69 0.88 -0.76 0.26 -0.00 -1.75 -2.79 115.31 110.45 1fr0 h LEU 731 Ca -0.07 -0.33 0.16 0.00 -0.00 0.00 0.00 57.88 57.64 1fr0 h LEU 731 Cb 0.53 -0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 40.84 1fr0 h LEU 731 CO 0.11 1.08 0.26 -0.61 -0.00 0.00 0.00 178.44 179.28 1fr0 h GLN 732 N 0.74 0.35 -0.03 1.13 -0.00 -1.27 -1.70 115.11 114.32 1fr0 h GLN 732 Ca 0.09 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 1fr0 h GLN 732 Cb 0.79 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.19 1fr0 h GLN 732 CO 0.07 0.23 -0.04 1.96 0.00 0.00 0.00 178.83 181.05 1fr0 h GLN 733 N 0.36 0.09 -0.82 1.69 1.08 -1.33 -2.73 115.11 113.44 1fr0 h GLN 733 Ca 0.43 -0.05 0.14 0.00 -1.45 0.00 0.00 58.65 57.72 1fr0 h GLN 733 Cb 0.72 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.01 1fr0 h GLN 733 CO -0.47 0.57 -0.34 -0.07 -0.95 0.00 0.00 178.83 177.58 1fr0 h LEU 734 N -0.40 -1.22 -0.11 1.46 4.07 -1.06 0.19 115.31 118.24 1fr0 h LEU 734 Ca 0.00 0.27 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 1fr0 h LEU 734 Cb 0.56 0.65 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1fr0 h LEU 734 CO 0.01 -0.29 0.07 1.23 -1.08 0.00 0.00 178.44 178.37 1fr0 h GLY 735 N -0.06 0.15 -0.55 0.83 0.00 -1.43 0.70 103.07 102.71 1fr0 h GLY 735 Ca 0.32 -0.06 0.32 0.00 0.00 0.00 0.00 47.33 47.91 1fr0 h GLY 735 CO -0.86 0.06 0.97 -1.61 0.00 0.00 0.00 176.54 175.10 1fr0 h GLN 736 N 0.12 0.00 0.05 4.80 4.15 -0.32 0.15 115.11 124.06 1fr0 h GLN 736 Ca 0.04 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.09 1fr0 h GLN 736 Cb 0.02 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1fr0 h GLN 736 CO -0.01 0.00 -2.25 1.04 -1.93 0.00 0.00 178.83 175.69 1fr0 n GLN 737 N -3.76 0.69 0.23 1.69 3.00 -0.54 -4.14 117.38 114.56 1fr0 n GLN 737 Ca 0.24 0.19 0.18 0.00 -0.01 0.00 0.00 57.00 57.60 1fr0 n GLN 737 Cb 1.32 -1.61 0.87 0.00 0.00 0.00 0.00 30.24 30.82 1fr0 n GLN 737 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1fr0 h ILE 738 N 0.03 0.32 -0.19 5.09 2.04 0.16 0.11 117.51 125.06 1fr0 h ILE 738 Ca -0.50 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1fr0 h ILE 738 Cb 1.99 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1fr0 h ILE 738 CO -0.00 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.16 1fr0 n GLN 739 N -3.54 2.19 -2.59 2.37 -0.00 -0.72 -3.99 117.38 111.10 1fr0 n GLN 739 Ca 0.01 -1.00 -0.16 0.00 -0.00 0.00 0.00 57.00 55.85 1fr0 n GLN 739 Cb 0.34 -1.72 0.02 0.00 -0.00 0.00 0.00 30.24 28.87 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 0.19 2.68 -2.60 2.61 7.64 0.38 -4.95 113.62 119.57 1fr0 n SER 740 Ca 0.09 -3.08 -0.07 0.00 1.01 0.00 0.00 58.87 56.82 1fr0 n SER 740 Cb 0.57 -0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.23 0.82 0.00 1.43 -0.04 -1.26 -2.81 135.00 132.92 1fr0 n PRO 741 Ca 0.20 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1fr0 n PRO 741 Cb 0.76 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 3.42 1.37 -4.77 3.54 5.75 -1.26 -4.97 116.55 119.63 1fr0 n ASP 742 Ca 0.17 -0.01 -0.40 0.00 -0.01 0.00 0.00 54.79 54.55 1fr0 n ASP 742 Cb 0.22 0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.87 4.31 0.35 -2.12 1.02 -1.12 -4.88 118.68 115.38 1fr0 s LEU 743 Ca 0.00 2.65 0.26 0.00 0.02 0.00 0.00 54.13 57.06 1fr0 s LEU 743 Cb 0.00 -3.80 1.21 0.00 0.02 0.00 0.00 46.19 43.62 1fr0 s LEU 743 CO 0.00 -0.70 1.80 1.55 0.02 0.00 0.00 176.35 179.02 1fr0 h PRO 744 N 2.98 0.00 0.00 1.29 0.13 -1.97 -2.25 132.00 132.18 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1fr0 h PRO 744 CO 0.64 0.00 -1.92 0.00 -0.23 0.00 0.00 178.00 176.49 1fr0 n ALA 745 N -1.85 2.92 -0.04 -0.56 0.00 -1.26 -4.36 120.51 115.36 1fr0 n ALA 745 Ca 0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1fr0 n ALA 745 Cb 0.18 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 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 0.25 0.00 0.00 7.01 -1.77 0.18 115.95 121.62 1fr0 h TRP 746 Ca 0.00 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.92 1fr0 h TRP 746 Cb 0.95 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 1fr0 h TRP 746 CO 0.00 0.65 0.08 1.05 -2.79 0.00 0.00 178.44 177.43 1fr0 h GLU 747 N -0.22 0.00 -0.01 2.65 4.11 -1.75 0.31 114.58 119.67 1fr0 h GLU 747 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1fr0 h GLU 747 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1fr0 h GLU 747 CO 0.02 0.00 -0.10 -0.25 0.07 0.00 0.00 179.01 178.75 1fr0 n ASP 748 N -2.53 1.63 -0.00 3.06 9.92 -0.95 -4.47 116.55 123.20 1fr0 n ASP 748 Ca -0.02 -1.31 0.05 0.00 -0.53 0.00 0.00 54.79 52.97 1fr0 n ASP 748 Cb 0.12 0.22 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 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 0.23 2.62 -0.26 -2.24 3.02 0.59 -4.63 115.26 114.59 1fr0 n ASN 749 Ca 0.06 -0.06 -0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1fr0 n ASN 749 Cb 0.26 1.40 0.06 0.00 -0.61 0.00 0.00 39.78 40.88 1fr0 n ASN 749 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1fr0 h VAL 750 N 0.00 0.18 -0.70 2.41 2.07 -0.76 0.21 116.25 119.65 1fr0 h VAL 750 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1fr0 h VAL 750 Cb 0.41 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 1fr0 h VAL 750 CO 0.00 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.61 1fr0 h GLY 751 N -0.05 0.40 0.97 2.17 0.00 -1.85 -0.73 103.07 103.98 1fr0 h GLY 751 Ca 0.33 0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.77 1fr0 h GLY 751 CO -0.79 -0.26 -0.53 0.83 0.00 0.00 0.00 176.54 175.79 1fr0 h GLU 752 N -0.03 0.63 -0.99 4.80 3.07 -1.17 -2.76 114.58 118.14 1fr0 h GLU 752 Ca 0.32 -0.47 0.23 0.00 -0.50 0.00 0.00 59.36 58.94 1fr0 h GLU 752 Cb 0.53 0.08 -0.12 0.00 -0.84 0.00 0.00 28.75 28.40 1fr0 h GLU 752 CO -0.73 1.09 0.57 2.35 -1.40 0.00 0.00 179.01 180.89 1fr0 h TRP 753 N 0.30 0.98 -0.00 4.33 2.91 0.68 0.14 115.95 125.28 1fr0 h TRP 753 Ca -0.02 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1fr0 h TRP 753 Cb 1.15 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1fr0 h TRP 753 CO 0.10 0.09 -0.07 0.82 -1.03 0.00 0.00 178.44 178.35 1fr0 h ILE 754 N 0.60 1.60 -0.28 2.65 1.08 -1.25 -2.15 117.51 119.75 1fr0 h ILE 754 Ca 0.62 -1.85 0.05 0.00 -0.39 0.00 0.00 64.86 63.29 1fr0 h ILE 754 Cb 1.12 2.83 -0.05 0.00 -3.07 0.00 0.00 36.82 37.65 1fr0 h ILE 754 CO -0.46 0.49 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.35 1fr0 h GLU 755 N -0.70 0.01 0.03 2.37 4.22 -1.01 -2.29 114.58 117.22 1fr0 h GLU 755 Ca -0.01 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1fr0 h GLU 755 Cb 0.83 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1fr0 h GLU 755 CO 0.01 0.01 -0.02 1.49 -2.18 0.00 0.00 179.01 178.33 1fr0 h GLU 756 N 0.02 -0.04 -0.42 1.92 4.81 -0.86 -2.64 114.58 117.36 1fr0 h GLU 756 Ca 0.13 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1fr0 h GLU 756 Cb 0.20 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1fr0 h GLU 756 CO -0.28 0.13 -0.47 1.98 -0.73 0.00 0.00 179.01 179.64 1fr0 h MET 757 N -0.20 -0.26 0.07 1.92 4.05 -1.03 -2.10 114.93 117.39 1fr0 h MET 757 Ca -0.00 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1fr0 h MET 757 Cb 0.19 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.00 1fr0 h MET 757 CO 0.01 -0.17 -0.45 0.87 0.23 0.00 0.00 176.91 177.39 1fr0 h LYS 758 N -0.27 -0.63 -3.03 0.39 1.57 -1.42 -0.12 116.57 113.05 1fr0 h LYS 758 Ca 0.07 0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 58.22 1fr0 h LYS 758 Cb 0.46 0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.95 1fr0 h LYS 758 CO -0.54 -0.42 3.85 0.39 -0.57 0.00 0.00 179.45 182.15 1fr0 n GLU 759 N -5.47 3.68 0.00 3.15 1.02 -0.81 -3.81 120.64 118.40 1fr0 n GLU 759 Ca -0.07 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1fr0 n GLU 759 Cb 0.39 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 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 3.66 0.00 -0.28 3.49 2.13 -1.00 -4.86 120.64 123.77 1fr0 n GLU 760 Ca 0.78 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.70 1fr0 n GLU 760 Cb 0.23 0.00 0.23 0.00 0.27 0.00 0.00 31.44 32.18 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 0.23 0.01 4.31 5.08 -1.13 -0.99 115.95 123.46 1fr0 h TRP 761 Ca 0.00 0.05 0.02 0.00 1.08 0.00 0.00 58.89 60.04 1fr0 h TRP 761 Cb 0.00 0.03 -0.05 0.00 -3.00 0.00 0.00 29.16 26.14 1fr0 h TRP 761 CO 0.00 -0.19 -0.53 -0.09 -1.28 0.00 0.00 178.44 176.35 1fr0 h ARG 762 N 0.19 -0.64 -0.97 0.12 2.43 -1.82 0.91 114.38 114.60 1fr0 h ARG 762 Ca 0.49 0.04 0.31 0.00 -0.81 0.00 0.00 59.98 60.02 1fr0 h ARG 762 Cb 0.93 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 30.47 1fr0 h ARG 762 CO -0.63 -0.43 0.45 1.25 -1.51 0.00 0.00 179.97 179.10 1fr0 h HIS 763 N -0.66 0.72 -0.33 2.20 2.76 -1.56 0.50 115.15 118.79 1fr0 h HIS 763 Ca 0.01 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1fr0 h HIS 763 Cb 0.71 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.45 1fr0 h HIS 763 CO -0.51 -0.25 -0.11 0.22 -1.30 0.00 0.00 177.93 175.98 1fr0 h ASP 764 N 0.23 -0.39 -0.18 3.26 3.58 -0.48 -1.90 116.42 120.52 1fr0 h ASP 764 Ca 0.70 0.11 -0.11 0.00 0.42 0.00 0.00 57.03 58.15 1fr0 h ASP 764 Cb 1.61 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.90 1fr0 h ASP 764 CO -0.66 -0.14 -0.32 0.58 -2.88 0.00 0.00 179.24 175.81 1fr0 h VAL 765 N -0.04 1.34 -0.06 2.25 2.07 0.21 -1.74 116.25 120.27 1fr0 h VAL 765 Ca 0.16 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1fr0 h VAL 765 Cb 0.29 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1fr0 h VAL 765 CO -0.36 0.47 -0.06 -0.33 0.02 0.00 0.00 177.57 177.31 1fr0 h GLU 766 N 0.20 -0.04 -0.64 1.57 5.08 -0.23 0.17 114.58 120.69 1fr0 h GLU 766 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1fr0 h GLU 766 Cb 0.91 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1fr0 h GLU 766 CO 0.07 -0.02 0.37 0.28 -1.00 0.00 0.00 179.01 178.71 1fr0 h VAL 767 N -0.04 1.01 -0.79 3.13 2.07 -1.47 -1.94 116.25 118.23 1fr0 h VAL 767 Ca 0.01 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.47 1fr0 h VAL 767 Cb 0.06 0.24 -0.14 0.00 -1.52 0.00 0.00 31.29 29.94 1fr0 h VAL 767 CO -0.07 0.13 0.04 0.25 0.02 0.00 0.00 177.57 177.93 1fr0 h LEU 768 N 0.71 -0.31 -0.14 2.57 5.85 -0.28 0.15 115.31 123.86 1fr0 h LEU 768 Ca 0.28 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 1fr0 h LEU 768 Cb 0.11 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1fr0 h LEU 768 CO -0.15 -0.18 0.07 0.50 -0.34 0.00 0.00 178.44 178.34 1fr0 h LYS 769 N 0.12 0.21 -0.87 1.25 3.64 0.07 -2.65 116.57 118.33 1fr0 h LYS 769 Ca 0.44 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.90 1fr0 h LYS 769 Cb 0.81 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 1fr0 h LYS 769 CO -0.68 0.26 0.51 0.00 -2.27 0.00 0.00 179.45 177.26 1fr0 h ALA 770 N 0.94 1.27 0.67 5.00 0.00 -0.51 0.59 119.26 127.23 1fr0 h ALA 770 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fr0 h ALA 770 Cb 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fr0 h ALA 770 CO -0.01 0.11 -0.43 2.35 0.00 0.00 0.00 179.25 181.27 1fr0 h TRP 771 N 0.83 -1.16 0.00 0.00 7.01 -0.65 -1.14 115.95 120.84 1fr0 h TRP 771 Ca 0.43 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1fr0 h TRP 771 Cb 0.43 0.42 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 1fr0 h TRP 771 CO -0.05 -0.64 0.00 0.28 -2.79 0.00 0.00 178.44 175.24 1fr0 n VAL 772 N -5.15 1.37 -0.07 2.65 0.31 -1.04 0.15 118.33 116.55 1fr0 n VAL 772 Ca -0.13 0.47 -0.13 0.00 -0.01 0.00 0.00 64.34 64.54 1fr0 n VAL 772 Cb 0.44 -1.41 -0.12 0.00 -0.91 0.00 0.00 33.84 31.84 1fr0 n VAL 772 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fr0 h ALA 773 N 2.14 0.01 0.00 3.52 0.00 0.28 -3.39 119.26 121.81 1fr0 h ALA 773 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fr0 h ALA 773 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fr0 h ALA 773 CO 0.00 0.02 -0.01 1.63 0.00 0.00 0.00 179.25 180.88 1fr0 n LYS 774 N -4.62 2.09 0.02 0.00 4.01 -0.60 -4.65 118.16 114.41 1fr0 n LYS 774 Ca -0.10 -1.95 -0.02 0.00 -0.51 0.00 0.00 58.31 55.74 1fr0 n LYS 774 Cb 0.45 -1.20 -0.01 0.00 -0.51 0.00 0.00 35.03 33.76 1fr0 n LYS 774 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fr0 h ALA 775 N 0.00 -0.70 -0.62 7.82 0.00 0.13 -3.22 119.26 122.66 1fr0 h ALA 775 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 1fr0 h ALA 775 Cb 0.76 0.40 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 1fr0 h ALA 775 CO 0.00 -0.71 0.00 2.41 0.00 0.00 0.00 179.25 180.95 1fr0 n THR 776 N -2.69 2.82 -3.15 0.00 -1.04 -1.26 -4.75 114.28 104.20 1fr0 n THR 776 Ca -0.01 -3.04 -0.26 0.00 -2.04 0.00 0.00 64.05 58.70 1fr0 n THR 776 Cb 0.05 -0.67 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 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 -1.00 2.47 0.00 -2.82 5.02 -1.22 -5.19 118.16 115.42 1fr0 n LYS 777 Ca 0.44 -4.45 0.00 0.00 -2.02 0.00 0.00 58.31 52.28 1fr0 n LYS 777 Cb 1.01 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1fr0 n LYS 777 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51