#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk1 n SER 663 N 0.00 1.78 0.14 3.14 7.64 -1.26 -4.83 113.62 120.23 1uk1 n SER 663 Ca 0.00 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1uk1 n SER 663 Cb 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1uk1 n SER 663 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1uk1 n LYS 664 N 6.17 0.01 -1.71 1.43 -0.00 -1.26 -4.69 118.16 118.11 1uk1 n LYS 664 Ca 0.36 0.39 -0.62 0.00 -0.00 0.00 0.00 58.31 58.45 1uk1 n LYS 664 Cb 0.08 -1.98 -0.08 0.00 -0.00 0.00 0.00 35.03 33.04 1uk1 n LYS 664 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1uk1 n LEU 665 N -1.52 1.75 -4.46 -5.58 7.94 -1.26 -4.87 117.00 109.00 1uk1 n LEU 665 Ca 0.00 1.13 -0.50 0.00 -1.11 0.00 0.00 56.01 55.53 1uk1 n LEU 665 Cb 0.64 -1.03 -0.04 0.00 0.53 0.00 0.00 43.42 43.53 1uk1 n LEU 665 CO 0.00 -0.70 0.24 -2.65 -1.11 0.00 0.00 177.39 173.17 1uk1 n PRO 666 N 4.48 0.27 -0.24 1.96 -0.01 -1.26 -4.48 135.00 135.71 1uk1 n PRO 666 Ca 0.28 0.09 0.03 0.00 -0.01 0.00 0.00 63.50 63.89 1uk1 n PRO 666 Cb 0.05 -1.28 0.26 0.00 -0.01 0.00 0.00 33.50 32.52 1uk1 n PRO 666 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 175.50 177.06 1uk1 h LYS 667 N 1.75 0.96 -1.01 -0.52 -0.00 -1.93 -0.49 116.57 115.33 1uk1 h LYS 667 Ca -0.35 -0.06 0.24 0.00 -0.00 0.00 0.00 60.65 60.47 1uk1 h LYS 667 Cb 1.42 -0.22 -0.10 0.00 -0.00 0.00 0.00 32.23 33.33 1uk1 h LYS 667 CO 0.60 0.63 0.63 -1.35 -0.00 0.00 0.00 179.45 179.97 1uk1 h PRO 668 N 0.98 0.50 0.49 0.07 0.11 -1.99 -1.35 132.00 130.81 1uk1 h PRO 668 Ca 0.32 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 1uk1 h PRO 668 Cb 0.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1uk1 h PRO 668 CO -0.10 0.33 -0.24 0.28 -0.21 0.00 0.00 178.00 178.07 1uk1 h VAL 669 N 0.51 0.00 -0.96 3.15 2.07 -1.44 -0.35 116.25 119.24 1uk1 h VAL 669 Ca 0.58 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 68.05 1uk1 h VAL 669 Cb 1.27 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.86 1uk1 h VAL 669 CO -0.33 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.00 1uk1 n GLN 670 N -4.44 -0.11 -0.29 1.57 6.02 -0.83 -0.46 117.38 118.84 1uk1 n GLN 670 Ca -0.08 1.49 -0.05 0.00 -0.01 0.00 0.00 57.00 58.35 1uk1 n GLN 670 Cb 0.26 -2.23 0.07 0.00 1.02 0.00 0.00 30.24 29.36 1uk1 n GLN 670 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1uk1 h ASP 671 N 0.00 1.02 -0.58 1.08 3.32 -1.30 -1.12 116.42 118.85 1uk1 h ASP 671 Ca 0.44 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1uk1 h ASP 671 Cb 0.68 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1uk1 h ASP 671 CO -0.98 0.86 0.29 0.25 -1.72 0.00 0.00 179.24 177.94 1uk1 h LEU 672 N 1.11 0.77 0.42 1.55 5.85 0.93 -1.76 115.31 124.18 1uk1 h LEU 672 Ca 0.27 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1uk1 h LEU 672 Cb 0.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1uk1 h LEU 672 CO -0.04 0.65 -0.51 0.40 -0.34 0.00 0.00 178.44 178.60 1uk1 h ILE 673 N 0.85 0.00 -0.96 4.05 1.08 -0.43 -2.87 117.51 119.22 1uk1 h ILE 673 Ca 0.21 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.98 1uk1 h ILE 673 Cb 0.09 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.66 1uk1 h ILE 673 CO -0.03 0.00 0.22 0.11 -0.69 0.00 0.00 178.15 177.76 1uk1 h LYS 674 N -0.96 0.06 0.00 2.37 1.57 -0.86 -0.54 116.57 118.22 1uk1 h LYS 674 Ca -0.05 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1uk1 h LYS 674 Cb 0.85 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1uk1 h LYS 674 CO -0.11 0.04 -0.71 0.00 -0.57 0.00 0.00 179.45 178.10 1uk1 h MET 675 N 0.07 0.00 0.00 3.15 -0.00 -1.26 -3.10 114.93 113.78 1uk1 h MET 675 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.35 1uk1 h MET 675 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.06 1uk1 h MET 675 CO -0.81 0.71 -0.36 0.44 -0.00 0.00 0.00 176.91 176.89 1uk1 n ILE 676 N -3.50 0.44 -1.34 -0.10 -5.35 -0.85 -3.47 119.36 105.19 1uk1 n ILE 676 Ca -0.00 -0.27 -0.24 0.00 -0.27 0.00 0.00 62.75 61.97 1uk1 n ILE 676 Cb 0.74 -0.31 0.15 0.00 -1.74 0.00 0.00 39.64 38.48 1uk1 n ILE 676 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1uk1 n PHE 677 N -2.15 2.77 -3.05 4.28 3.72 -0.27 -4.46 117.46 118.30 1uk1 n PHE 677 Ca 0.04 -2.15 -0.45 0.00 -0.05 0.00 0.00 57.45 54.84 1uk1 n PHE 677 Cb 0.43 -0.98 -0.01 0.00 -0.94 0.00 0.00 39.48 37.98 1uk1 n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1uk1 s ASP 678 N -1.77 6.87 0.26 4.37 3.68 -1.18 -4.94 116.67 123.96 1uk1 s ASP 678 Ca 0.57 -2.64 -0.09 0.00 2.13 0.00 0.00 52.55 52.52 1uk1 s ASP 678 Cb 0.47 -2.35 0.40 0.00 -1.45 0.00 0.00 42.92 40.00 1uk1 s ASP 678 CO 0.05 -0.79 1.47 0.52 0.13 0.00 0.00 175.17 176.55 1uk1 n VAL 679 N 4.63 -0.41 -0.29 1.11 0.31 -1.26 -1.94 118.33 120.47 1uk1 n VAL 679 Ca 0.26 2.16 -0.11 0.00 -0.01 0.00 0.00 64.34 66.65 1uk1 n VAL 679 Cb 0.46 -2.97 -0.09 0.00 -0.91 0.00 0.00 33.84 30.32 1uk1 n VAL 679 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1uk1 h GLU 680 N 0.00 -0.11 -0.58 5.55 4.81 -2.01 -0.49 114.58 121.74 1uk1 h GLU 680 Ca 0.43 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.79 1uk1 h GLU 680 Cb 0.67 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.96 1uk1 h GLU 680 CO -0.96 -0.07 -0.14 0.45 -0.73 0.00 0.00 179.01 177.56 1uk1 n SER 681 N -5.04 -0.20 0.11 1.04 2.88 -0.82 -1.22 113.62 110.38 1uk1 n SER 681 Ca 0.00 0.99 -0.13 0.00 -1.33 0.00 0.00 58.87 58.41 1uk1 n SER 681 Cb 0.26 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 1uk1 n SER 681 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1uk1 h MET 682 N 0.00 -0.33 -0.69 -1.46 2.86 -0.98 0.75 114.93 115.08 1uk1 h MET 682 Ca 0.28 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.99 1uk1 h MET 682 Cb 0.44 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1uk1 h MET 682 CO -0.59 -0.22 0.45 1.57 1.06 0.00 0.00 176.91 179.18 1uk1 h LYS 683 N -0.34 0.76 -0.35 1.72 2.10 -0.97 -0.91 116.57 118.57 1uk1 h LYS 683 Ca 0.01 -0.05 0.04 0.00 -2.00 0.00 0.00 60.65 58.66 1uk1 h LYS 683 Cb 0.34 -0.17 -0.07 0.00 -0.90 0.00 0.00 32.23 31.43 1uk1 h LYS 683 CO -0.07 0.50 -0.51 -0.22 -2.00 0.00 0.00 179.45 177.16 1uk1 h LYS 684 N 0.78 -0.36 -0.63 0.07 3.64 0.55 0.10 116.57 120.73 1uk1 h LYS 684 Ca 0.28 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 1uk1 h LYS 684 Cb 0.14 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 1uk1 h LYS 684 CO -0.08 -0.24 0.08 0.00 -2.27 0.00 0.00 179.45 176.93 1uk1 h ALA 685 N -0.18 0.70 -0.66 5.00 0.00 -1.12 -1.27 119.26 121.74 1uk1 h ALA 685 Ca 0.06 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.26 1uk1 h ALA 685 Cb 0.54 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1uk1 h ALA 685 CO -0.53 -0.35 0.20 0.52 0.00 0.00 0.00 179.25 179.08 1uk1 h MET 686 N 0.19 0.33 -0.44 0.00 2.86 0.41 0.14 114.93 118.43 1uk1 h MET 686 Ca 0.34 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1uk1 h MET 686 Cb 0.54 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1uk1 h MET 686 CO -0.48 0.22 0.26 0.28 1.06 0.00 0.00 176.91 178.25 1uk1 h VAL 687 N 0.34 1.13 0.00 -2.22 2.07 -0.33 -1.15 116.25 116.09 1uk1 h VAL 687 Ca 0.35 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1uk1 h VAL 687 Cb 0.52 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1uk1 h VAL 687 CO -0.40 0.14 0.00 -0.33 0.02 0.00 0.00 177.57 177.00 1uk1 h GLU 688 N 0.60 0.00 0.12 1.57 5.08 0.19 -3.07 114.58 119.07 1uk1 h GLU 688 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1uk1 h GLU 688 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1uk1 h GLU 688 CO -0.03 0.00 -0.06 1.88 -1.00 0.00 0.00 179.01 179.80 1uk1 h TYR 689 N 0.00 -0.15 0.00 4.33 0.05 -1.04 -3.48 116.97 116.69 1uk1 h TYR 689 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1uk1 h TYR 689 Cb 0.28 0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1uk1 h TYR 689 CO 0.00 0.24 0.00 0.39 -1.05 0.00 0.00 178.16 177.74 1uk1 n GLU 690 N -4.85 0.00 -2.42 4.88 1.02 -1.16 -5.10 120.64 113.01 1uk1 n GLU 690 Ca -0.06 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.70 1uk1 n GLU 690 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.61 1uk1 n GLU 690 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uk1 s ILE 691 N 0.00 3.42 -0.90 -3.67 -1.09 -0.47 -0.11 121.20 118.38 1uk1 s ILE 691 Ca 0.00 1.18 -0.17 0.00 -2.23 0.00 0.00 60.65 59.44 1uk1 s ILE 691 Cb 0.00 -3.66 0.17 0.00 -1.58 0.00 0.00 42.46 37.39 1uk1 s ILE 691 CO 0.00 0.10 1.00 -0.62 -1.23 0.00 0.00 174.94 174.19 1uk1 s ASP 692 N -1.26 6.70 0.32 3.58 2.15 0.28 -4.02 116.67 124.41 1uk1 s ASP 692 Ca 0.55 -2.33 0.17 0.00 0.43 0.00 0.00 52.55 51.37 1uk1 s ASP 692 Cb -0.28 -2.32 0.17 0.00 -0.30 0.00 0.00 42.92 40.19 1uk1 s ASP 692 CO 0.35 -0.86 1.50 0.17 -0.17 0.00 0.00 175.17 176.15 1uk1 h LEU 693 N 9.35 0.00 -2.07 -1.34 8.10 -1.87 0.27 115.31 127.75 1uk1 h LEU 693 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.13 1uk1 h LEU 693 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.25 1uk1 h LEU 693 CO 0.97 0.39 0.00 0.00 -4.11 0.00 0.00 178.44 175.69 1uk1 n GLN 694 N -3.21 2.68 0.00 0.17 6.02 -1.26 -3.03 117.38 118.75 1uk1 n GLN 694 Ca 0.02 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1uk1 n GLN 694 Cb 0.68 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1uk1 n GLN 694 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1uk1 n LYS 695 N 0.30 0.00 -3.23 -1.09 5.02 -0.14 -5.05 118.16 113.98 1uk1 n LYS 695 Ca 0.12 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.97 1uk1 n LYS 695 Cb 0.65 -0.12 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1uk1 n LYS 695 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uk1 s MET 696 N 0.00 3.05 0.41 1.97 0.23 0.78 -5.08 119.30 120.66 1uk1 s MET 696 Ca 0.00 -1.24 -0.09 0.00 -1.03 0.00 0.00 55.69 53.33 1uk1 s MET 696 Cb 0.00 -4.18 -0.06 0.00 -1.53 0.00 0.00 34.83 29.06 1uk1 s MET 696 CO 0.00 -1.27 0.75 -1.25 -2.03 0.00 0.00 175.02 171.22 1uk1 s PRO 697 N 2.23 3.72 0.00 3.16 0.04 -1.17 -4.48 135.00 138.50 1uk1 s PRO 697 Ca 0.09 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1uk1 s PRO 697 Cb -0.23 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1uk1 s PRO 697 CO 0.08 -0.04 0.81 1.47 0.04 0.00 0.00 177.00 179.35 1uk1 n LEU 698 N -1.43 0.31 0.08 -3.56 -0.00 -1.26 0.35 117.00 111.49 1uk1 n LEU 698 Ca 0.02 -0.16 -0.11 0.00 -0.00 0.00 0.00 56.01 55.76 1uk1 n LEU 698 Cb 0.54 -0.16 -0.13 0.00 -0.00 0.00 0.00 43.42 43.67 1uk1 n LEU 698 CO 0.49 0.08 0.03 1.23 -0.00 0.00 0.00 177.39 179.22 1uk1 h GLY 699 N 5.50 0.15 1.21 1.47 0.00 -1.99 -3.41 103.07 106.00 1uk1 h GLY 699 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 47.33 46.68 1uk1 h GLY 699 CO 0.00 0.33 -1.09 1.70 0.00 0.00 0.00 176.54 177.47 1uk1 h LYS 700 N 0.03 0.69 -0.72 4.80 3.64 -0.47 -3.46 116.57 121.09 1uk1 h LYS 700 Ca -0.08 -0.78 -0.06 0.00 -1.27 0.00 0.00 60.65 58.46 1uk1 h LYS 700 Cb 1.87 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.91 1uk1 h LYS 700 CO 0.16 1.34 0.27 1.28 -2.27 0.00 0.00 179.45 180.24 1uk1 n LEU 701 N -3.84 -0.09 -4.86 5.20 4.77 -1.11 -4.82 117.00 112.25 1uk1 n LEU 701 Ca -0.12 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.46 1uk1 n LEU 701 Cb 0.91 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.84 1uk1 n LEU 701 CO 0.57 -0.16 -0.01 -0.94 -1.33 0.00 0.00 177.39 175.52 1uk1 s SER 702 N 0.61 6.63 0.29 -1.43 1.04 -1.26 -4.93 113.70 114.65 1uk1 s SER 702 Ca 0.19 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.40 1uk1 s SER 702 Cb -0.15 -2.17 0.45 0.00 0.10 0.00 0.00 66.02 64.25 1uk1 s SER 702 CO 0.08 0.35 1.78 0.07 0.98 0.00 0.00 173.24 176.49 1uk1 h LYS 703 N 4.74 0.57 0.00 4.02 -0.00 -1.97 0.24 116.57 124.17 1uk1 h LYS 703 Ca -0.53 -0.17 0.00 0.00 -0.00 0.00 0.00 60.65 59.95 1uk1 h LYS 703 Cb 1.22 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 1uk1 h LYS 703 CO 0.60 0.68 0.00 0.54 -0.00 0.00 0.00 179.45 181.28 1uk1 n ARG 704 N -4.19 0.00 -0.28 0.07 3.00 -1.26 -0.24 116.66 113.76 1uk1 n ARG 704 Ca 0.01 0.26 -0.01 0.00 -0.01 0.00 0.00 57.85 58.10 1uk1 n ARG 704 Cb 0.33 -0.48 0.11 0.00 0.00 0.00 0.00 32.46 32.42 1uk1 n ARG 704 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1uk1 h GLN 705 N 0.00 0.87 -0.39 5.56 -0.00 -1.80 -0.49 115.11 118.86 1uk1 h GLN 705 Ca 0.00 -0.05 0.08 0.00 -0.00 0.00 0.00 58.65 58.68 1uk1 h GLN 705 Cb 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 27.48 27.20 1uk1 h GLN 705 CO 0.00 0.58 -0.15 0.82 0.00 0.00 0.00 178.83 180.08 1uk1 h ILE 706 N 0.90 0.52 -0.00 2.39 2.04 -0.47 0.85 117.51 123.73 1uk1 h ILE 706 Ca 0.33 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 66.02 1uk1 h ILE 706 Cb 0.11 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1uk1 h ILE 706 CO -0.15 0.00 -0.80 0.06 0.00 0.00 0.00 178.15 177.26 1uk1 h GLN 707 N -0.07 0.05 -0.77 2.37 -0.00 -0.34 -2.77 115.11 113.58 1uk1 h GLN 707 Ca 0.19 -0.05 0.13 0.00 -0.00 0.00 0.00 58.65 58.92 1uk1 h GLN 707 Cb 0.36 0.01 -0.05 0.00 -0.00 0.00 0.00 27.48 27.80 1uk1 h GLN 707 CO -0.44 0.82 0.51 0.00 -0.00 0.00 0.00 178.83 179.73 1uk1 h ALA 708 N 1.16 1.98 -0.00 0.06 0.00 -0.77 -0.93 119.26 120.77 1uk1 h ALA 708 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uk1 h ALA 708 Cb 1.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1uk1 h ALA 708 CO 0.11 -0.18 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 1uk1 n ALA 709 N -2.49 2.76 -0.01 0.00 0.00 0.26 -2.72 120.51 118.31 1uk1 n ALA 709 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1uk1 n ALA 709 Cb 0.46 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 18.67 1uk1 n ALA 709 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1uk1 h TYR 710 N 0.15 0.69 -0.29 0.00 0.05 -0.88 -2.35 116.97 114.34 1uk1 h TYR 710 Ca 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 1uk1 h TYR 710 Cb 0.45 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1uk1 h TYR 710 CO 0.00 0.89 0.11 0.77 -1.05 0.00 0.00 178.16 178.88 1uk1 h SER 711 N 0.48 0.40 -0.78 3.88 0.02 -1.54 -1.44 113.55 114.56 1uk1 h SER 711 Ca 0.04 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1uk1 h SER 711 Cb 0.90 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.27 1uk1 h SER 711 CO 0.08 0.45 0.44 0.40 -1.14 0.00 0.00 176.83 177.06 1uk1 h ILE 712 N 0.31 0.92 -1.01 3.27 2.04 -1.42 0.66 117.51 122.28 1uk1 h ILE 712 Ca 0.10 -0.26 0.19 0.00 1.00 0.00 0.00 64.86 65.88 1uk1 h ILE 712 Cb 0.18 0.09 -0.11 0.00 -0.74 0.00 0.00 36.82 36.25 1uk1 h ILE 712 CO -0.01 0.14 0.61 -0.07 0.00 0.00 0.00 178.15 178.82 1uk1 h LEU 713 N 0.76 0.79 -0.12 1.44 3.38 -1.23 -2.40 115.31 117.92 1uk1 h LEU 713 Ca 0.37 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 1uk1 h LEU 713 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1uk1 h LEU 713 CO -0.24 0.28 -0.14 0.28 0.09 0.00 0.00 178.44 178.72 1uk1 h SER 714 N 0.77 0.34 -0.85 -0.43 0.02 0.01 -2.81 113.55 110.61 1uk1 h SER 714 Ca 0.58 -0.50 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 1uk1 h SER 714 Cb 0.89 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.27 1uk1 h SER 714 CO -0.38 0.77 0.51 1.05 -1.14 0.00 0.00 176.83 177.64 1uk1 h GLU 715 N -0.08 0.86 0.00 3.45 4.11 -0.84 0.82 114.58 122.89 1uk1 h GLU 715 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1uk1 h GLU 715 Cb 0.68 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1uk1 h GLU 715 CO 0.03 0.57 0.17 1.55 0.07 0.00 0.00 179.01 181.40 1uk1 n VAL 716 N -4.68 0.82 0.62 -1.06 3.14 -0.91 -1.43 118.33 114.82 1uk1 n VAL 716 Ca 0.13 0.73 0.07 0.00 -2.96 0.00 0.00 64.34 62.31 1uk1 n VAL 716 Cb 0.24 -1.73 -0.01 0.00 -1.06 0.00 0.00 33.84 31.27 1uk1 n VAL 716 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1uk1 n GLN 717 N -2.11 1.93 0.35 1.45 7.27 0.27 -0.70 117.38 125.85 1uk1 n GLN 717 Ca -0.01 -0.63 -0.15 0.00 0.07 0.00 0.00 57.00 56.28 1uk1 n GLN 717 Cb 0.20 -1.20 -0.08 0.00 2.41 0.00 0.00 30.24 31.57 1uk1 n GLN 717 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1uk1 h GLN 718 N 1.33 -0.88 -0.29 3.69 -0.00 -0.03 -2.79 115.11 116.14 1uk1 h GLN 718 Ca 0.00 0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.74 1uk1 h GLN 718 Cb 0.45 0.20 -0.03 0.00 0.00 0.00 0.00 27.48 28.10 1uk1 h GLN 718 CO 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 178.83 178.10 1uk1 n ALA 719 N -2.66 -0.19 0.09 3.38 0.00 -0.64 0.39 120.51 120.89 1uk1 n ALA 719 Ca -0.12 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 1uk1 n ALA 719 Cb 0.38 0.10 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1uk1 n ALA 719 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uk1 h VAL 720 N 0.00 1.52 0.00 0.00 2.07 -1.04 -2.92 116.25 115.88 1uk1 h VAL 720 Ca 0.05 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1uk1 h VAL 720 Cb 0.12 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1uk1 h VAL 720 CO -0.27 0.75 0.00 -1.20 0.02 0.00 0.00 177.57 176.87 1uk1 n SER 721 N -3.65 0.17 -2.34 0.57 7.64 -0.76 -3.42 113.62 111.83 1uk1 n SER 721 Ca -0.02 0.52 -0.33 0.00 1.01 0.00 0.00 58.87 60.05 1uk1 n SER 721 Cb 0.77 -0.56 0.06 0.00 -1.01 0.00 0.00 64.21 63.47 1uk1 n SER 721 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1uk1 n GLN 722 N -1.66 2.92 0.00 1.43 -0.06 0.16 -5.02 117.38 115.15 1uk1 n GLN 722 Ca 0.06 -3.55 0.00 0.00 -2.00 0.00 0.00 57.00 51.51 1uk1 n GLN 722 Cb 0.33 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.22 1uk1 n GLN 722 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1uk1 n GLY 723 N -0.81 0.42 0.82 1.69 0.00 -1.22 -4.94 105.19 101.15 1uk1 n GLY 723 Ca 0.57 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1uk1 n GLY 723 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uk1 n SER 724 N 1.35 -4.44 -4.08 1.61 2.88 -1.24 -4.73 113.62 104.98 1uk1 n SER 724 Ca 0.00 0.97 -0.25 0.00 -1.33 0.00 0.00 58.87 58.27 1uk1 n SER 724 Cb 0.00 -2.17 -0.19 0.00 -0.75 0.00 0.00 64.21 61.10 1uk1 n SER 724 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uk1 n SER 725 N -2.05 -0.92 -0.26 -3.46 2.88 -1.26 -4.81 113.62 103.74 1uk1 n SER 725 Ca 0.00 -0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.20 1uk1 n SER 725 Cb 0.25 -0.57 0.05 0.00 -0.75 0.00 0.00 64.21 63.18 1uk1 n SER 725 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1uk1 h ASP 726 N 10.21 -1.00 -0.35 -3.46 3.04 -1.99 0.42 116.42 123.30 1uk1 h ASP 726 Ca 0.01 0.24 0.10 0.00 -3.24 0.00 0.00 57.03 54.15 1uk1 h ASP 726 Cb 1.07 0.56 -0.01 0.00 -1.04 0.00 0.00 39.33 39.90 1uk1 h ASP 726 CO 1.42 -0.28 0.29 0.77 -2.04 0.00 0.00 179.24 179.40 1uk1 h SER 727 N -0.07 0.00 0.12 4.15 4.64 -2.00 -3.00 113.55 117.38 1uk1 h SER 727 Ca 0.31 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1uk1 h SER 727 Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1uk1 h SER 727 CO -0.78 0.00 -0.69 -0.61 -0.87 0.00 0.00 176.83 173.88 1uk1 h GLN 728 N 0.00 0.26 -0.42 4.77 4.15 -0.54 -1.38 115.11 121.95 1uk1 h GLN 728 Ca 0.17 -0.43 0.08 0.00 0.77 0.00 0.00 58.65 59.23 1uk1 h GLN 728 Cb 0.75 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.52 1uk1 h GLN 728 CO -0.00 1.20 -0.13 -0.89 -1.93 0.00 0.00 178.83 177.08 1uk1 n ILE 729 N -4.20 -0.20 0.17 2.39 5.41 -1.00 0.14 119.36 122.07 1uk1 n ILE 729 Ca -0.13 0.97 0.04 0.00 1.00 0.00 0.00 62.75 64.63 1uk1 n ILE 729 Cb 0.77 -1.32 0.22 0.00 -0.71 0.00 0.00 39.64 38.59 1uk1 n ILE 729 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1uk1 h LEU 730 N 0.00 0.00 -0.90 1.39 8.10 -1.35 -0.49 115.31 122.07 1uk1 h LEU 730 Ca 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.12 1uk1 h LEU 730 Cb 0.28 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.47 1uk1 h LEU 730 CO -0.43 0.45 0.24 0.44 -4.11 0.00 0.00 178.44 175.02 1uk1 h ASP 731 N 0.00 0.97 0.02 0.17 3.32 0.23 0.76 116.42 121.89 1uk1 h ASP 731 Ca -0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1uk1 h ASP 731 Cb 1.10 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1uk1 h ASP 731 CO 0.06 0.89 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.39 1uk1 h LEU 732 N 1.01 -0.02 -0.51 1.55 3.38 -0.52 0.23 115.31 120.43 1uk1 h LEU 732 Ca 0.23 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1uk1 h LEU 732 Cb 0.25 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 1uk1 h LEU 732 CO -0.01 0.03 -0.28 0.28 0.09 0.00 0.00 178.44 178.55 1uk1 h SER 733 N -0.07 -0.97 0.77 -0.43 0.02 -0.92 -0.71 113.55 111.25 1uk1 h SER 733 Ca -0.00 0.20 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 1uk1 h SER 733 Cb 0.07 0.49 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1uk1 h SER 733 CO 0.00 -0.28 -0.71 0.78 -1.14 0.00 0.00 176.83 175.48 1uk1 h ASN 734 N -0.16 0.00 -0.84 3.07 2.35 -0.60 -2.04 115.58 117.36 1uk1 h ASN 734 Ca 0.22 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 56.13 1uk1 h ASN 734 Cb 0.52 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.73 1uk1 h ASN 734 CO -0.61 0.71 -0.26 -0.09 -1.65 0.00 0.00 177.43 175.54 1uk1 h ARG 735 N 0.00 -0.02 -0.45 0.81 2.43 -0.43 0.63 114.38 117.35 1uk1 h ARG 735 Ca -0.01 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1uk1 h ARG 735 Cb 1.29 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.76 1uk1 h ARG 735 CO 0.09 -0.01 -0.12 0.35 -1.51 0.00 0.00 179.97 178.77 1uk1 h PHE 736 N -0.02 -0.25 -0.41 2.20 3.57 -0.56 -1.87 116.94 119.60 1uk1 h PHE 736 Ca 0.38 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.78 1uk1 h PHE 736 Cb 0.61 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1uk1 h PHE 736 CO -0.70 -0.20 -0.29 1.88 -2.23 0.00 0.00 178.31 176.78 1uk1 h TYR 737 N -0.01 1.07 -0.96 0.41 0.05 -0.71 0.91 116.97 117.73 1uk1 h TYR 737 Ca 0.21 -0.29 0.28 0.00 0.05 0.00 0.00 58.73 58.98 1uk1 h TYR 737 Cb 0.33 -0.24 -0.14 0.00 1.01 0.00 0.00 36.73 37.70 1uk1 h TYR 737 CO -0.39 1.10 0.48 1.15 -1.05 0.00 0.00 178.16 179.45 1uk1 h THR 738 N 0.73 0.37 0.02 -2.88 2.02 0.37 -3.11 112.91 110.43 1uk1 h THR 738 Ca 0.08 -0.12 -0.25 0.00 0.77 0.00 0.00 66.41 66.88 1uk1 h THR 738 Cb 0.87 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1uk1 h THR 738 CO 0.08 0.07 -1.32 0.25 0.37 0.00 0.00 175.52 174.96 1uk1 h LEU 739 N 0.36 0.06 -7.32 2.58 5.85 -0.53 -3.40 115.31 112.91 1uk1 h LEU 739 Ca 0.66 -0.09 -0.62 0.00 0.84 0.00 0.00 57.88 58.67 1uk1 h LEU 739 Cb 1.40 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 42.01 1uk1 h LEU 739 CO -0.58 1.07 -0.72 -0.63 -0.34 0.00 0.00 178.44 177.23 1uk1 s ILE 740 N -2.66 1.68 -0.36 4.05 -1.09 0.24 -4.99 121.20 118.07 1uk1 s ILE 740 Ca -0.02 -2.22 -0.40 0.00 -2.23 0.00 0.00 60.65 55.78 1uk1 s ILE 740 Cb 0.09 -2.22 -0.15 0.00 -1.58 0.00 0.00 42.46 38.60 1uk1 s ILE 740 CO 0.83 -0.72 1.97 -2.65 -1.23 0.00 0.00 174.94 173.15 1uk1 n PRO 741 N 4.14 0.84 -3.95 2.79 -0.02 -1.22 -4.57 135.00 133.01 1uk1 n PRO 741 Ca 0.03 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 1uk1 n PRO 741 Cb 0.39 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 1uk1 n PRO 741 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1uk1 s HIS 742 N 5.35 3.24 -1.23 6.00 3.76 -1.26 -0.56 115.29 130.59 1uk1 s HIS 742 Ca 1.07 0.04 -0.21 0.00 -0.15 0.00 0.00 55.06 55.81 1uk1 s HIS 742 Cb -1.10 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 30.44 1uk1 s HIS 742 CO 0.61 0.09 1.86 -3.47 -0.85 0.00 0.00 174.74 172.99 1uk1 n ASP 743 N 3.75 3.76 0.16 1.40 4.64 0.84 -4.61 116.55 126.50 1uk1 n ASP 743 Ca -0.16 -2.78 0.01 0.00 -1.38 0.00 0.00 54.79 50.48 1uk1 n ASP 743 Cb 0.52 -1.74 0.28 0.00 -1.04 0.00 0.00 41.12 39.14 1uk1 n ASP 743 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1uk1 h PHE 744 N 8.88 0.01 0.00 -0.67 3.04 -1.94 -3.45 116.94 122.80 1uk1 h PHE 744 Ca 0.31 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1uk1 h PHE 744 Cb 0.91 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1uk1 h PHE 744 CO 1.29 0.47 0.00 0.41 -2.02 0.00 0.00 178.31 178.46 1uk1 n GLY 745 N -0.20 0.69 2.79 2.40 0.00 -1.26 -1.67 105.19 107.94 1uk1 n GLY 745 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1uk1 n GLY 745 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uk1 s MET 746 N 0.00 0.89 0.00 1.61 1.00 -1.26 -5.22 119.30 116.32 1uk1 s MET 746 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 55.69 55.30 1uk1 s MET 746 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 34.83 32.90 1uk1 s MET 746 CO 0.00 -0.53 0.00 1.17 0.00 0.00 0.00 175.02 175.66 1uk1 n LYS 747 N 5.00 3.97 -3.60 2.03 4.81 -0.67 -5.12 118.16 124.57 1uk1 n LYS 747 Ca -0.09 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.96 1uk1 n LYS 747 Cb 0.48 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.41 1uk1 n LYS 747 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1uk1 s LYS 748 N 2.83 3.80 0.42 1.64 -0.14 -1.26 -5.06 119.74 121.97 1uk1 s LYS 748 Ca 0.00 -0.42 -0.24 0.00 -1.36 0.00 0.00 55.97 53.95 1uk1 s LYS 748 Cb 0.00 -3.64 -0.08 0.00 -1.68 0.00 0.00 37.83 32.43 1uk1 s LYS 748 CO 0.00 -0.24 1.14 -2.14 -0.76 0.00 0.00 175.35 173.35 1uk1 s PRO 749 N 1.73 3.99 -0.43 -1.68 0.02 -1.26 -4.93 135.00 132.44 1uk1 s PRO 749 Ca 0.07 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 1uk1 s PRO 749 Cb -0.16 -2.57 0.01 0.00 0.02 0.00 0.00 34.50 31.81 1uk1 s PRO 749 CO 0.10 -0.34 1.36 -2.14 -0.33 0.00 0.00 177.00 175.65 1uk1 s PRO 750 N -2.46 3.60 -0.17 5.54 0.02 -1.26 -4.96 135.00 135.31 1uk1 s PRO 750 Ca 0.59 0.86 -0.23 0.00 0.02 0.00 0.00 61.00 62.25 1uk1 s PRO 750 Cb -0.28 -4.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.21 1uk1 s PRO 750 CO 0.35 -1.54 0.70 -0.51 -0.33 0.00 0.00 177.00 175.67 1uk1 s LEU 751 N 5.26 4.17 -0.47 -5.54 2.01 -1.26 -4.92 118.68 117.94 1uk1 s LEU 751 Ca 0.59 0.98 -0.07 0.00 0.01 0.00 0.00 54.13 55.64 1uk1 s LEU 751 Cb -0.12 -3.02 -0.22 0.00 0.01 0.00 0.00 46.19 42.84 1uk1 s LEU 751 CO 0.33 -0.30 3.41 0.18 1.01 0.00 0.00 176.35 180.98 1uk1 n LEU 752 N 4.96 6.21 -0.72 1.79 4.77 -1.26 -4.26 117.00 128.49 1uk1 n LEU 752 Ca 0.01 -3.50 0.06 0.00 -0.03 0.00 0.00 56.01 52.55 1uk1 n LEU 752 Cb 0.50 -1.45 0.17 0.00 -2.33 0.00 0.00 43.42 40.31 1uk1 n LEU 752 CO 0.46 1.79 0.64 -0.46 -1.33 0.00 0.00 177.39 178.49 1uk1 n ASN 753 N 2.82 2.10 -3.95 -1.43 6.94 -1.26 -4.89 115.26 115.59 1uk1 n ASN 753 Ca 0.53 -2.01 -0.25 0.00 -0.02 0.00 0.00 54.58 52.83 1uk1 n ASN 753 Cb 0.71 -0.27 -0.17 0.00 -2.36 0.00 0.00 39.78 37.70 1uk1 n ASN 753 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1uk1 s ASN 754 N -0.99 1.80 0.43 0.53 2.47 -1.26 -4.99 114.94 112.93 1uk1 s ASN 754 Ca 0.26 -0.27 0.15 0.00 0.42 0.00 0.00 52.86 53.42 1uk1 s ASN 754 Cb 0.14 -0.76 1.04 0.00 -1.45 0.00 0.00 41.25 40.21 1uk1 s ASN 754 CO 0.17 -0.05 1.95 0.00 -3.72 0.00 0.00 177.10 175.45 1uk1 h ALA 755 N 7.52 2.06 0.26 1.71 0.00 -1.98 -0.44 119.26 128.39 1uk1 h ALA 755 Ca -0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1uk1 h ALA 755 Cb 1.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1uk1 h ALA 755 CO 0.44 -0.23 -0.18 -0.44 0.00 0.00 0.00 179.25 178.83 1uk1 h ASP 756 N 0.42 -0.48 0.37 0.00 3.32 -1.99 -2.11 116.42 115.95 1uk1 h ASP 756 Ca 0.33 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1uk1 h ASP 756 Cb 0.70 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1uk1 h ASP 756 CO -0.10 -0.27 0.00 -1.20 -1.72 0.00 0.00 179.24 175.95 1uk1 n SER 757 N -3.42 0.00 -0.07 6.45 7.64 -1.09 -1.88 113.62 121.25 1uk1 n SER 757 Ca -0.05 0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.76 1uk1 n SER 757 Cb 0.18 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 1uk1 n SER 757 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1uk1 h VAL 758 N 0.00 1.32 0.00 0.44 3.04 -0.77 -2.20 116.25 118.09 1uk1 h VAL 758 Ca 0.00 -1.25 -0.15 0.00 -1.01 0.00 0.00 66.70 64.29 1uk1 h VAL 758 Cb 0.19 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1uk1 h VAL 758 CO 0.00 0.37 -0.72 0.06 -1.01 0.00 0.00 177.57 176.27 1uk1 h GLN 759 N 0.09 0.00 -0.94 4.17 -0.00 -0.94 0.13 115.11 117.63 1uk1 h GLN 759 Ca 0.04 0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.93 1uk1 h GLN 759 Cb 0.65 0.00 -0.18 0.00 -0.00 0.00 0.00 27.48 27.95 1uk1 h GLN 759 CO 0.04 0.72 -0.02 0.00 -0.00 0.00 0.00 178.83 179.57 1uk1 n ALA 760 N -2.40 0.44 0.08 0.06 0.00 -0.79 -0.09 120.51 117.82 1uk1 n ALA 760 Ca -0.01 1.01 -0.09 0.00 0.00 0.00 0.00 53.44 54.35 1uk1 n ALA 760 Cb 0.71 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1uk1 n ALA 760 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1uk1 h LYS 761 N 0.00 0.14 0.00 0.00 1.79 -0.94 -3.09 116.57 114.47 1uk1 h LYS 761 Ca 0.55 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1uk1 h LYS 761 Cb 1.10 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1uk1 h LYS 761 CO -0.89 1.00 -0.02 -0.24 -1.08 0.00 0.00 179.45 178.21 1uk1 h VAL 762 N 0.06 0.09 -0.05 0.50 3.04 0.11 -2.34 116.25 117.67 1uk1 h VAL 762 Ca -0.05 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 1uk1 h VAL 762 Cb 1.65 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1uk1 h VAL 762 CO 0.14 0.02 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.62 1uk1 h GLU 763 N 0.00 0.09 -0.62 4.17 4.81 -0.56 -3.05 114.58 119.43 1uk1 h GLU 763 Ca -0.00 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1uk1 h GLU 763 Cb 0.32 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.59 1uk1 h GLU 763 CO 0.00 0.49 -0.11 1.98 -0.73 0.00 0.00 179.01 180.64 1uk1 h MET 764 N -0.30 0.03 0.00 1.92 4.05 -1.39 -1.76 114.93 117.48 1uk1 h MET 764 Ca 0.01 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1uk1 h MET 764 Cb 0.46 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1uk1 h MET 764 CO 0.01 0.02 -0.10 -0.07 0.23 0.00 0.00 176.91 176.99 1uk1 h LEU 765 N 0.03 0.00 -0.50 3.39 3.38 -1.55 0.54 115.31 120.60 1uk1 h LEU 765 Ca 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1uk1 h LEU 765 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1uk1 h LEU 765 CO -0.60 0.10 0.14 0.44 0.09 0.00 0.00 178.44 178.61 1uk1 h ASP 766 N 0.00 0.75 0.01 -0.43 3.32 -1.21 0.23 116.42 119.08 1uk1 h ASP 766 Ca -0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1uk1 h ASP 766 Cb 0.20 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uk1 h ASP 766 CO 0.01 0.78 -0.00 0.78 -1.72 0.00 0.00 179.24 179.09 1uk1 h ASN 767 N 0.69 -0.01 -0.99 6.45 2.35 -1.28 -2.10 115.58 120.68 1uk1 h ASN 767 Ca 0.16 -0.47 0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1uk1 h ASN 767 Cb 0.31 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.59 1uk1 h ASN 767 CO -0.00 0.47 0.62 -0.07 -1.65 0.00 0.00 177.43 176.80 1uk1 h LEU 768 N -0.49 0.81 0.01 1.61 3.38 -0.85 0.22 115.31 120.00 1uk1 h LEU 768 Ca -0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1uk1 h LEU 768 Cb 0.48 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1uk1 h LEU 768 CO 0.00 0.35 -0.28 -0.07 0.09 0.00 0.00 178.44 178.53 1uk1 h LEU 769 N 0.82 -0.85 -2.21 1.67 3.38 -0.92 0.46 115.31 117.66 1uk1 h LEU 769 Ca 0.54 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 1uk1 h LEU 769 Cb 0.76 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1uk1 h LEU 769 CO -0.32 -0.27 -0.06 0.44 0.09 0.00 0.00 178.44 178.32 1uk1 h ASP 770 N -0.36 0.00 0.21 -0.43 3.32 -0.67 -1.13 116.42 117.36 1uk1 h ASP 770 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1uk1 h ASP 770 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1uk1 h ASP 770 CO -0.18 0.06 -0.48 0.40 -1.72 0.00 0.00 179.24 177.31 1uk1 h ILE 771 N 0.00 1.33 -0.08 0.35 2.04 -0.43 0.64 117.51 121.36 1uk1 h ILE 771 Ca -0.00 -1.70 -0.16 0.00 1.00 0.00 0.00 64.86 64.00 1uk1 h ILE 771 Cb 0.16 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1uk1 h ILE 771 CO 0.01 0.51 -0.63 -0.08 0.00 0.00 0.00 178.15 177.97 1uk1 h GLU 772 N 0.26 0.31 -0.51 2.37 4.22 0.11 0.17 114.58 121.51 1uk1 h GLU 772 Ca 0.01 -0.22 -0.06 0.00 0.08 0.00 0.00 59.36 59.18 1uk1 h GLU 772 Cb 0.95 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1uk1 h GLU 772 CO 0.08 0.83 0.10 0.28 -2.18 0.00 0.00 179.01 178.12 1uk1 h VAL 773 N 0.22 1.25 0.28 0.32 2.07 -1.15 0.32 116.25 119.57 1uk1 h VAL 773 Ca -0.01 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1uk1 h VAL 773 Cb 1.15 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1uk1 h VAL 773 CO 0.10 0.33 -0.27 0.00 0.02 0.00 0.00 177.57 177.75 1uk1 h ALA 774 N 0.98 -0.98 -0.53 1.67 0.00 -0.74 -0.48 119.26 119.18 1uk1 h ALA 774 Ca 0.16 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1uk1 h ALA 774 Cb 0.38 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1uk1 h ALA 774 CO 0.01 -0.99 0.01 -0.92 0.00 0.00 0.00 179.25 177.36 1uk1 h TYR 775 N -0.55 -0.01 -0.47 0.00 3.20 -0.62 0.12 116.97 118.64 1uk1 h TYR 775 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1uk1 h TYR 775 Cb 0.47 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1uk1 h TYR 775 CO -0.15 -0.12 0.27 0.77 -1.64 0.00 0.00 178.16 177.29 1uk1 h SER 776 N 0.13 0.56 -0.20 -2.11 0.02 -0.45 -2.96 113.55 108.55 1uk1 h SER 776 Ca 0.27 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1uk1 h SER 776 Cb 0.41 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1uk1 h SER 776 CO -0.44 0.45 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.62 1uk1 h LEU 777 N 0.65 -0.10 -4.30 5.07 3.38 0.73 -2.90 115.31 117.84 1uk1 h LEU 777 Ca 0.17 0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.85 1uk1 h LEU 777 Cb 0.00 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 1uk1 h LEU 777 CO -0.03 -0.02 0.45 0.00 0.09 0.00 0.00 178.44 178.93 1uk1 n LEU 778 N -5.15 6.06 0.00 1.67 -0.00 -0.65 -2.49 117.00 116.45 1uk1 n LEU 778 Ca -0.03 -3.57 0.00 0.00 -0.00 0.00 0.00 56.01 52.42 1uk1 n LEU 778 Cb 0.11 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.13 1uk1 n LEU 778 CO 0.26 1.77 0.09 -2.11 -0.00 0.00 0.00 177.39 177.40 1uk1 n ARG 779 N 2.33 0.01 0.00 1.47 0.00 -1.10 -5.03 116.66 114.35 1uk1 n ARG 779 Ca 0.50 -0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 1uk1 n ARG 779 Cb 0.73 -0.52 0.00 0.00 -0.00 0.00 0.00 32.46 32.67 1uk1 n ARG 779 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uk1 n GLY 780 N -0.01 -1.32 0.07 2.89 0.00 -1.04 -4.83 105.19 100.96 1uk1 n GLY 780 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1uk1 n GLY 780 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uk1 h GLY 781 N 0.00 0.05 -7.31 -0.02 0.00 -1.95 -3.43 103.07 90.41 1uk1 h GLY 781 Ca 0.00 -0.14 -0.64 0.00 0.00 0.00 0.00 47.33 46.55 1uk1 h GLY 781 CO 0.00 0.12 1.01 -0.45 0.00 0.00 0.00 176.54 177.22 1uk1 s SER 782 N -6.74 6.49 -0.68 0.19 0.15 -1.26 -4.49 113.70 107.36 1uk1 s SER 782 Ca -0.00 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.05 1uk1 s SER 782 Cb 0.09 -2.47 0.39 0.00 -1.71 0.00 0.00 66.02 62.33 1uk1 s SER 782 CO 0.83 -1.31 1.74 0.47 1.20 0.00 0.00 173.24 176.17 1uk1 n ASP 783 N 7.64 6.68 -3.85 5.45 8.00 -1.26 -5.02 116.55 134.19 1uk1 n ASP 783 Ca 0.21 -3.80 -0.12 0.00 0.71 0.00 0.00 54.79 51.79 1uk1 n ASP 783 Cb 0.49 -0.85 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 1uk1 n ASP 783 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1uk1 s ASP 784 N -1.98 -0.07 1.37 -2.24 1.11 -1.26 -4.85 116.67 108.75 1uk1 s ASP 784 Ca 0.53 0.14 0.00 0.00 0.18 0.00 0.00 52.55 53.40 1uk1 s ASP 784 Cb 0.44 0.15 0.00 0.00 1.07 0.00 0.00 42.92 44.58 1uk1 s ASP 784 CO -0.27 -0.03 0.00 -1.20 1.18 0.00 0.00 175.17 174.84 1uk1 n SER 785 N 3.00 0.00 0.00 0.27 7.64 -1.26 -3.54 113.62 119.73 1uk1 n SER 785 Ca -0.12 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.85 1uk1 n SER 785 Cb 0.59 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.35 1uk1 n SER 785 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uk1 n SER 786 N 8.44 0.00 -4.39 6.43 3.41 -1.26 -3.20 113.62 123.04 1uk1 n SER 786 Ca 0.00 -1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.41 1uk1 n SER 786 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1uk1 n SER 786 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1uk1 s LYS 787 N -2.00 1.45 0.42 4.33 2.20 -1.26 -5.21 119.74 119.67 1uk1 s LYS 787 Ca 0.28 -1.70 0.05 0.00 -0.36 0.00 0.00 55.97 54.24 1uk1 s LYS 787 Cb 0.13 -1.15 0.05 0.00 -1.51 0.00 0.00 37.83 35.35 1uk1 s LYS 787 CO 0.22 0.11 0.41 -0.40 -0.36 0.00 0.00 175.35 175.33 1uk1 n ASP 788 N -0.49 2.08 0.03 1.43 5.68 -1.20 -4.45 116.55 119.62 1uk1 n ASP 788 Ca -0.06 -2.34 -0.08 0.00 -0.50 0.00 0.00 54.79 51.81 1uk1 n ASP 788 Cb 0.62 -0.13 0.08 0.00 -1.14 0.00 0.00 41.12 40.55 1uk1 n ASP 788 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1uk1 h PRO 789 N 0.00 0.47 0.08 0.11 0.11 -1.92 0.12 132.00 130.97 1uk1 h PRO 789 Ca -0.24 -0.29 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1uk1 h PRO 789 Cb 0.96 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1uk1 h PRO 789 CO 0.37 0.90 -0.04 0.82 -0.21 0.00 0.00 178.00 179.84 1uk1 h ILE 790 N 0.36 1.05 -0.96 4.15 1.08 -1.95 -3.14 117.51 118.10 1uk1 h ILE 790 Ca 0.01 -0.44 0.21 0.00 -0.39 0.00 0.00 64.86 64.24 1uk1 h ILE 790 Cb 1.07 1.34 -0.18 0.00 -3.07 0.00 0.00 36.82 35.98 1uk1 h ILE 790 CO 0.10 0.11 -0.18 0.44 -0.69 0.00 0.00 178.15 177.93 1uk1 h ASP 791 N -0.30 -0.79 -0.12 1.72 3.45 -1.94 -1.48 116.42 116.96 1uk1 h ASP 791 Ca -0.01 0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 1uk1 h ASP 791 Cb 0.26 0.56 -0.00 0.00 -0.56 0.00 0.00 39.33 39.59 1uk1 h ASP 791 CO 0.02 -0.32 -0.12 0.58 -1.57 0.00 0.00 179.24 177.83 1uk1 h VAL 792 N 0.00 1.36 -0.61 -1.35 2.07 -0.80 -2.56 116.25 114.37 1uk1 h VAL 792 Ca 0.48 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.84 1uk1 h VAL 792 Cb 0.80 1.94 -0.09 0.00 -1.52 0.00 0.00 31.29 32.42 1uk1 h VAL 792 CO -0.96 0.37 0.09 0.78 0.02 0.00 0.00 177.57 177.87 1uk1 h ASN 793 N -0.11 -0.08 -0.25 0.57 4.21 -1.48 -1.02 115.58 117.41 1uk1 h ASN 793 Ca 0.02 0.13 0.04 0.00 1.21 0.00 0.00 56.30 57.69 1uk1 h ASN 793 Cb 0.64 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.02 1uk1 h ASN 793 CO 0.03 -0.03 0.17 0.22 -1.29 0.00 0.00 177.43 176.53 1uk1 h TYR 794 N 0.21 0.18 0.18 1.19 3.20 -1.33 -1.41 116.97 119.20 1uk1 h TYR 794 Ca 0.32 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.89 1uk1 h TYR 794 Cb 0.50 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 38.73 1uk1 h TYR 794 CO -0.28 0.11 -1.34 1.49 -1.64 0.00 0.00 178.16 176.49 1uk1 h GLU 795 N 0.19 0.42 0.00 1.82 4.57 -0.78 -3.14 114.58 117.65 1uk1 h GLU 795 Ca 0.11 -0.69 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1uk1 h GLU 795 Cb 0.20 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1uk1 h GLU 795 CO -0.02 1.33 0.00 0.36 -1.18 0.00 0.00 179.01 179.50 1uk1 n LYS 796 N -3.63 0.12 0.00 1.92 2.85 -0.70 -0.41 118.16 118.31 1uk1 n LYS 796 Ca -0.12 0.21 0.08 0.00 -1.05 0.00 0.00 58.31 57.42 1uk1 n LYS 796 Cb 1.05 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 34.30 1uk1 n LYS 796 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1uk1 n LEU 797 N -1.30 0.00 -3.39 -5.58 4.77 -0.56 -4.73 117.00 106.20 1uk1 n LEU 797 Ca 0.04 0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 56.43 1uk1 n LEU 797 Cb 0.07 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1uk1 n LEU 797 CO 0.07 -0.21 -0.06 0.29 -1.33 0.00 0.00 177.39 176.15 1uk1 n LYS 798 N -1.49 -0.93 -3.79 3.23 4.76 0.45 -3.43 118.16 116.96 1uk1 n LYS 798 Ca 0.04 -0.22 -0.13 0.00 -2.87 0.00 0.00 58.31 55.13 1uk1 n LYS 798 Cb 0.19 -0.18 -0.09 0.00 -1.84 0.00 0.00 35.03 33.11 1uk1 n LYS 798 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1uk1 s THR 799 N -4.07 0.06 -0.12 -0.18 2.01 -1.26 -1.60 115.64 110.47 1uk1 s THR 799 Ca 0.06 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1uk1 s THR 799 Cb -0.03 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1uk1 s THR 799 CO 0.20 -0.27 -0.17 -0.62 -0.69 0.00 0.00 174.62 173.07 1uk1 s ASP 800 N -1.24 3.62 -0.67 3.53 2.15 0.45 -4.94 116.67 119.58 1uk1 s ASP 800 Ca -0.13 -0.43 0.05 0.00 0.43 0.00 0.00 52.55 52.47 1uk1 s ASP 800 Cb -0.06 -1.53 0.27 0.00 -0.30 0.00 0.00 42.92 41.31 1uk1 s ASP 800 CO 0.03 0.15 0.87 -0.38 -0.17 0.00 0.00 175.17 175.67 1uk1 n ILE 801 N 3.62 2.82 -2.21 4.11 2.08 -1.26 -1.72 119.36 126.80 1uk1 n ILE 801 Ca -0.19 -5.37 -0.41 0.00 0.56 0.00 0.00 62.75 57.34 1uk1 n ILE 801 Cb 0.53 -1.94 -0.03 0.00 -0.75 0.00 0.00 39.64 37.44 1uk1 n ILE 801 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1uk1 s LYS 802 N -2.76 4.38 -0.35 0.38 2.20 0.67 -4.69 119.74 119.57 1uk1 s LYS 802 Ca 0.41 2.07 -0.28 0.00 -0.36 0.00 0.00 55.97 57.80 1uk1 s LYS 802 Cb 0.17 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 33.28 1uk1 s LYS 802 CO -0.03 -0.27 1.73 0.08 -0.36 0.00 0.00 175.35 176.50 1uk1 s VAL 803 N 0.16 3.55 0.19 4.02 1.01 -1.26 -0.84 120.40 127.22 1uk1 s VAL 803 Ca 0.57 0.55 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 1uk1 s VAL 803 Cb -0.37 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1uk1 s VAL 803 CO 0.38 -0.49 1.58 -0.69 0.00 0.00 0.00 175.10 175.88 1uk1 s VAL 804 N 6.68 2.50 -1.34 2.92 1.01 0.86 -4.86 120.40 128.17 1uk1 s VAL 804 Ca 0.76 0.37 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 1uk1 s VAL 804 Cb -0.21 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 1uk1 s VAL 804 CO 0.33 0.03 3.04 -0.67 0.00 0.00 0.00 175.10 177.83 1uk1 n ASP 805 N 3.64 8.15 0.00 3.32 -0.08 -1.26 -4.53 116.55 125.79 1uk1 n ASP 805 Ca 0.13 -2.60 0.00 0.00 -1.51 0.00 0.00 54.79 50.81 1uk1 n ASP 805 Cb 0.38 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.32 1uk1 n ASP 805 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1uk1 n ARG 806 N 3.26 0.00 0.25 -0.67 3.00 -1.26 -2.25 116.66 118.99 1uk1 n ARG 806 Ca 0.72 0.00 0.16 0.00 -0.01 0.00 0.00 57.85 58.72 1uk1 n ARG 806 Cb 0.35 0.00 0.61 0.00 0.00 0.00 0.00 32.46 33.41 1uk1 n ARG 806 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1uk1 h ASP 807 N 0.00 0.00 -1.71 0.55 3.32 -1.99 -3.39 116.42 113.20 1uk1 h ASP 807 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1uk1 h ASP 807 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1uk1 h ASP 807 CO 0.00 0.00 0.66 -1.54 -1.72 0.00 0.00 179.24 176.64 1uk1 n SER 808 N -2.94 2.10 -0.00 6.45 3.41 -0.95 -4.83 113.62 116.85 1uk1 n SER 808 Ca 0.01 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1uk1 n SER 808 Cb 0.32 -1.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.07 1uk1 n SER 808 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uk1 n GLU 809 N 3.73 -0.00 0.05 4.33 4.71 -1.26 -0.62 120.64 131.58 1uk1 n GLU 809 Ca 0.21 0.02 -0.19 0.00 -0.01 0.00 0.00 57.16 57.19 1uk1 n GLU 809 Cb 0.18 -0.03 -0.09 0.00 -1.01 0.00 0.00 31.44 30.50 1uk1 n GLU 809 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1uk1 h GLU 810 N 0.00 0.65 -0.74 3.49 4.81 -1.92 0.54 114.58 121.40 1uk1 h GLU 810 Ca 0.01 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.54 1uk1 h GLU 810 Cb 0.02 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1uk1 h GLU 810 CO -0.01 1.28 0.42 0.00 -0.73 0.00 0.00 179.01 179.97 1uk1 h ALA 811 N 0.48 1.34 -0.62 2.92 0.00 -1.11 -3.02 119.26 119.24 1uk1 h ALA 811 Ca -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1uk1 h ALA 811 Cb 1.67 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1uk1 h ALA 811 CO 0.20 0.55 0.34 1.05 0.00 0.00 0.00 179.25 181.39 1uk1 h GLU 812 N 1.03 0.87 -0.72 0.00 9.09 -1.25 -2.42 114.58 121.18 1uk1 h GLU 812 Ca 0.26 -0.10 0.16 0.00 0.05 0.00 0.00 59.36 59.73 1uk1 h GLU 812 Cb 0.00 -0.17 -0.12 0.00 -1.65 0.00 0.00 28.75 26.82 1uk1 h GLU 812 CO -0.05 0.66 0.10 0.82 0.05 0.00 0.00 179.01 180.59 1uk1 h ILE 813 N 0.85 0.45 -0.65 -1.06 1.08 -0.85 -1.02 117.51 116.32 1uk1 h ILE 813 Ca 0.22 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.74 1uk1 h ILE 813 Cb 0.04 0.25 -0.12 0.00 -3.07 0.00 0.00 36.82 33.92 1uk1 h ILE 813 CO -0.04 0.03 -0.33 0.40 -0.69 0.00 0.00 178.15 177.53 1uk1 h ILE 814 N 0.19 0.16 -0.32 -0.67 1.08 -1.32 0.00 117.51 116.62 1uk1 h ILE 814 Ca 0.40 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.71 1uk1 h ILE 814 Cb 0.69 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1uk1 h ILE 814 CO -0.56 0.00 -0.43 0.03 -0.69 0.00 0.00 178.15 176.50 1uk1 h ARG 815 N -0.13 0.82 -0.73 2.37 3.08 -0.97 -0.72 114.38 118.09 1uk1 h ARG 815 Ca 0.25 -0.45 0.15 0.00 0.07 0.00 0.00 59.98 60.00 1uk1 h ARG 815 Cb 0.55 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.53 1uk1 h ARG 815 CO -0.72 1.08 0.25 -0.22 -1.07 0.00 0.00 179.97 179.29 1uk1 h LYS 816 N 0.66 0.36 0.25 0.04 3.64 -1.01 0.27 116.57 120.78 1uk1 h LYS 816 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1uk1 h LYS 816 Cb 1.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 1uk1 h LYS 816 CO 0.10 0.24 -0.46 -0.92 -2.27 0.00 0.00 179.45 176.13 1uk1 h TYR 817 N 0.37 -1.32 -0.89 1.91 3.20 -0.13 -0.61 116.97 119.51 1uk1 h TYR 817 Ca 0.41 0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.53 1uk1 h TYR 817 Cb 0.64 0.54 -0.13 0.00 1.54 0.00 0.00 36.73 39.32 1uk1 h TYR 817 CO -0.20 -0.56 0.34 0.28 -1.64 0.00 0.00 178.16 176.39 1uk1 h VAL 818 N -0.76 0.42 0.06 1.81 2.07 -1.01 -2.14 116.25 116.71 1uk1 h VAL 818 Ca -0.03 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1uk1 h VAL 818 Cb 0.72 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1uk1 h VAL 818 CO -0.17 0.06 -0.03 0.50 0.02 0.00 0.00 177.57 177.95 1uk1 h LYS 819 N 0.33 -0.08 -0.03 1.57 1.63 -0.28 -2.31 116.57 117.40 1uk1 h LYS 819 Ca 0.56 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.37 1uk1 h LYS 819 Cb 1.08 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1uk1 h LYS 819 CO -0.57 -0.06 0.04 -0.91 -3.45 0.00 0.00 179.45 174.51 1uk1 h ASN 820 N -0.09 0.00 -0.23 4.20 -0.26 -0.96 -1.26 115.58 116.98 1uk1 h ASN 820 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1uk1 h ASN 820 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1uk1 h ASN 820 CO 0.01 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.73 1uk1 n THR 821 N -3.77 0.32 -1.81 2.81 -2.24 -0.82 -2.63 114.28 106.15 1uk1 n THR 821 Ca -0.02 -0.66 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 1uk1 n THR 821 Cb 0.12 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1uk1 n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1uk1 s HIS 822 N -1.49 1.53 0.03 4.78 5.04 -0.48 -3.11 115.29 121.59 1uk1 s HIS 822 Ca 0.30 0.28 -0.30 0.00 -1.54 0.00 0.00 55.06 53.80 1uk1 s HIS 822 Cb 0.19 -4.04 -0.06 0.00 0.04 0.00 0.00 32.58 28.71 1uk1 s HIS 822 CO 0.27 -4.05 1.36 0.00 -2.34 0.00 0.00 174.74 169.99 1uk1 s ALA 823 N 6.25 3.56 0.00 1.58 0.00 -1.26 -4.88 121.76 127.01 1uk1 s ALA 823 Ca 0.87 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1uk1 s ALA 823 Cb -0.32 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1uk1 s ALA 823 CO 0.35 -0.78 0.00 0.25 0.00 0.00 0.00 175.76 175.58 1uk1 n THR 824 N 4.41 0.00 0.09 0.00 -2.24 -1.26 -1.89 114.28 113.39 1uk1 n THR 824 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1uk1 n THR 824 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1uk1 n THR 824 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1uk1 n THR 825 N -0.06 0.62 -0.37 4.28 -2.24 -1.26 -4.86 114.28 110.38 1uk1 n THR 825 Ca 0.00 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1uk1 n THR 825 Cb 0.00 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1uk1 n THR 825 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uk1 n HIS 826 N -3.41 0.00 -1.02 4.78 -0.00 -0.90 -4.43 115.22 110.25 1uk1 n HIS 826 Ca 0.00 -0.88 -0.27 0.00 -0.00 0.00 0.00 57.72 56.56 1uk1 n HIS 826 Cb 0.00 -0.46 -0.05 0.00 -0.00 0.00 0.00 29.99 29.48 1uk1 n HIS 826 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1uk1 n ASN 827 N 1.48 6.59 -3.13 4.39 3.02 -0.79 -4.44 115.26 122.37 1uk1 n ASN 827 Ca 0.00 -2.43 0.05 0.00 -0.03 0.00 0.00 54.58 52.17 1uk1 n ASN 827 Cb 0.46 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1uk1 n ASN 827 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uk1 s ALA 828 N 2.44 -3.63 0.58 5.41 0.00 -1.26 -4.89 121.76 120.41 1uk1 s ALA 828 Ca 0.56 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 1uk1 s ALA 828 Cb 0.17 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 20.42 1uk1 s ALA 828 CO -0.04 -2.05 -0.42 2.48 0.00 0.00 0.00 175.76 175.73 1uk1 n TYR 829 N 5.11 -3.12 -4.18 0.00 0.18 -1.26 -4.89 117.16 109.00 1uk1 n TYR 829 Ca 0.08 0.07 -0.26 0.00 1.88 0.00 0.00 57.90 59.67 1uk1 n TYR 829 Cb 0.57 -1.02 -0.07 0.00 -0.38 0.00 0.00 39.34 38.44 1uk1 n TYR 829 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1uk1 s ASP 830 N -0.68 4.98 0.23 9.48 -1.08 -0.02 -4.97 116.67 124.60 1uk1 s ASP 830 Ca 0.30 -0.34 0.03 0.00 -0.52 0.00 0.00 52.55 52.03 1uk1 s ASP 830 Cb -0.18 -1.13 -0.03 0.00 -1.46 0.00 0.00 42.92 40.12 1uk1 s ASP 830 CO 0.53 0.07 0.36 -0.22 0.52 0.00 0.00 175.17 176.44 1uk1 s LEU 831 N -3.09 4.29 -0.28 -1.34 2.96 -1.26 -1.46 118.68 118.49 1uk1 s LEU 831 Ca 0.29 0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 1uk1 s LEU 831 Cb -0.09 -2.94 0.09 0.00 0.50 0.00 0.00 46.19 43.74 1uk1 s LEU 831 CO 0.20 -0.06 0.72 -1.83 -1.32 0.00 0.00 176.35 174.06 1uk1 s GLU 832 N -3.79 0.67 -0.02 1.98 4.04 -0.39 -4.91 118.70 116.28 1uk1 s GLU 832 Ca 0.35 1.18 -0.29 0.00 0.04 0.00 0.00 54.97 56.26 1uk1 s GLU 832 Cb -0.10 0.18 -0.03 0.00 0.02 0.00 0.00 34.13 34.20 1uk1 s GLU 832 CO 0.30 -0.15 0.93 0.08 -1.84 0.00 0.00 175.26 174.58 1uk1 s VAL 833 N 1.68 4.89 -0.22 1.83 1.01 -1.26 -1.43 120.40 126.91 1uk1 s VAL 833 Ca -0.10 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1uk1 s VAL 833 Cb -0.05 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1uk1 s VAL 833 CO -0.19 0.16 -0.20 -0.38 0.00 0.00 0.00 175.10 174.49 1uk1 n ILE 834 N 3.94 1.23 -3.77 2.22 5.41 -0.35 -4.94 119.36 123.10 1uk1 n ILE 834 Ca 0.05 -0.45 -0.13 0.00 1.00 0.00 0.00 62.75 63.22 1uk1 n ILE 834 Cb 0.51 -1.32 -0.13 0.00 -0.71 0.00 0.00 39.64 37.99 1uk1 n ILE 834 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1uk1 s ASP 835 N -6.19 -0.19 -0.50 4.38 -0.00 -1.18 -5.01 116.67 107.97 1uk1 s ASP 835 Ca -0.29 0.40 -0.08 0.00 -0.00 0.00 0.00 52.55 52.58 1uk1 s ASP 835 Cb 0.08 0.34 0.13 0.00 -0.00 0.00 0.00 42.92 43.47 1uk1 s ASP 835 CO 0.48 -0.12 0.36 -0.63 -0.00 0.00 0.00 175.17 175.27 1uk1 s ILE 836 N 0.73 4.11 -0.11 0.77 1.01 -1.26 -1.55 121.20 124.91 1uk1 s ILE 836 Ca -0.05 -2.00 -0.22 0.00 0.00 0.00 0.00 60.65 58.38 1uk1 s ILE 836 Cb -0.07 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1uk1 s ILE 836 CO -0.04 -0.79 0.66 -0.36 0.00 0.00 0.00 174.94 174.41 1uk1 s PHE 837 N 1.10 3.52 0.33 3.97 0.08 0.16 -0.10 117.98 127.03 1uk1 s PHE 837 Ca 0.08 1.13 -0.13 0.00 0.12 0.00 0.00 56.93 58.13 1uk1 s PHE 837 Cb -0.24 -2.78 -0.08 0.00 -0.57 0.00 0.00 43.02 39.35 1uk1 s PHE 837 CO -0.02 0.03 0.71 -1.59 -0.10 0.00 0.00 175.22 174.25 1uk1 s LYS 838 N 1.08 3.92 -0.04 0.44 -2.85 -0.02 -0.70 119.74 121.56 1uk1 s LYS 838 Ca 0.34 0.55 0.02 0.00 -1.00 0.00 0.00 55.97 55.89 1uk1 s LYS 838 Cb -0.17 -2.46 0.01 0.00 -2.06 0.00 0.00 37.83 33.16 1uk1 s LYS 838 CO 0.15 0.14 -0.09 0.96 0.10 0.00 0.00 175.35 176.61 1uk1 s ILE 839 N -2.05 0.82 -0.20 3.79 -4.36 -0.50 -0.24 121.20 118.46 1uk1 s ILE 839 Ca 0.52 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 1uk1 s ILE 839 Cb -0.10 -0.76 0.05 0.00 1.25 0.00 0.00 42.46 42.90 1uk1 s ILE 839 CO 0.21 0.27 -0.06 -1.61 0.24 0.00 0.00 174.94 174.00 1uk1 s GLU 840 N 0.54 1.59 0.33 0.37 2.02 -0.70 -4.58 118.70 118.27 1uk1 s GLU 840 Ca -0.09 -0.77 -0.22 0.00 0.02 0.00 0.00 54.97 53.90 1uk1 s GLU 840 Cb -0.13 -2.34 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 1uk1 s GLU 840 CO 0.01 -0.51 0.88 1.03 0.02 0.00 0.00 175.26 176.69 1uk1 s ARG 841 N 1.50 4.36 0.37 1.61 0.52 -1.26 -0.41 118.95 125.64 1uk1 s ARG 841 Ca -0.02 1.11 -0.28 0.00 -0.52 0.00 0.00 55.73 56.02 1uk1 s ARG 841 Cb -0.17 -2.61 -0.11 0.00 0.52 0.00 0.00 34.95 32.58 1uk1 s ARG 841 CO -0.07 0.20 1.46 -0.85 0.02 0.00 0.00 175.30 176.06 1uk1 n GLU 842 N 0.16 2.59 0.00 3.54 0.28 -0.62 -3.19 120.64 123.39 1uk1 n GLU 842 Ca 0.03 0.91 0.00 0.00 -0.16 0.00 0.00 57.16 57.93 1uk1 n GLU 842 Cb 0.52 -2.62 0.00 0.00 1.43 0.00 0.00 31.44 30.77 1uk1 n GLU 842 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uk1 n GLY 843 N 0.59 2.12 0.00 -1.84 0.00 -1.26 -4.76 105.19 100.04 1uk1 n GLY 843 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1uk1 n GLY 843 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uk1 n GLU 844 N 0.00 0.53 -0.07 1.61 0.28 -1.19 -1.26 120.64 120.53 1uk1 n GLU 844 Ca 0.00 0.04 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 1uk1 n GLU 844 Cb 0.00 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.35 1uk1 n GLU 844 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uk1 h GLN 846 N 0.35 -0.80 -0.34 0.00 5.75 -1.58 -1.46 115.11 117.03 1uk1 h GLN 846 Ca 0.10 0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.75 1uk1 h GLN 846 Cb -0.01 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1uk1 h GLN 846 CO -0.02 -0.53 0.57 0.07 -2.65 0.00 0.00 178.83 176.26 1uk1 h ARG 847 N -0.83 0.00 0.00 1.69 0.11 -1.50 -0.15 114.38 113.70 1uk1 h ARG 847 Ca -0.08 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.81 1uk1 h ARG 847 Cb 0.66 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 1uk1 h ARG 847 CO 0.08 0.00 -1.22 -0.92 0.10 0.00 0.00 179.97 178.01 1uk1 h TYR 848 N 0.00 0.00 -0.73 4.08 3.20 -1.55 -3.38 116.97 118.59 1uk1 h TYR 848 Ca 0.16 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.20 1uk1 h TYR 848 Cb 1.30 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.43 1uk1 h TYR 848 CO 0.00 0.74 -0.12 1.63 -1.64 0.00 0.00 178.16 178.76 1uk1 n LYS 849 N -3.08 -0.06 -0.35 1.82 4.76 -0.07 0.89 118.16 122.07 1uk1 n LYS 849 Ca -0.07 1.13 0.01 0.00 -2.87 0.00 0.00 58.31 56.51 1uk1 n LYS 849 Cb 0.89 -1.71 0.07 0.00 -1.84 0.00 0.00 35.03 32.44 1uk1 n LYS 849 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1uk1 h PRO 850 N 0.00 -0.01 0.00 1.97 0.11 -1.76 -2.17 132.00 130.13 1uk1 h PRO 850 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1uk1 h PRO 850 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1uk1 h PRO 850 CO -0.73 -0.01 -0.27 1.19 -0.21 0.00 0.00 178.00 177.97 1uk1 n PHE 851 N -5.52 0.59 -0.20 0.65 3.72 0.26 -4.00 117.46 112.95 1uk1 n PHE 851 Ca 0.12 0.17 -0.03 0.00 -0.05 0.00 0.00 57.45 57.65 1uk1 n PHE 851 Cb 0.43 -0.72 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 1uk1 n PHE 851 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1uk1 n LYS 852 N -2.04 -0.18 -3.65 -1.08 4.76 -0.08 -0.12 118.16 115.78 1uk1 n LYS 852 Ca 0.05 0.77 -0.36 0.00 -2.87 0.00 0.00 58.31 55.89 1uk1 n LYS 852 Cb 0.41 -1.13 -0.07 0.00 -1.84 0.00 0.00 35.03 32.40 1uk1 n LYS 852 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1uk1 s GLN 853 N -5.34 3.17 0.12 1.97 0.00 -1.26 -4.98 119.66 113.34 1uk1 s GLN 853 Ca -0.06 -3.15 0.04 0.00 -0.00 0.00 0.00 55.36 52.19 1uk1 s GLN 853 Cb 0.07 -3.93 -0.04 0.00 0.00 0.00 0.00 33.01 29.12 1uk1 s GLN 853 CO 0.33 -1.25 0.12 -1.17 0.00 0.00 0.00 175.29 173.32 1uk1 s LEU 854 N -1.12 3.85 0.63 2.60 1.98 0.83 -5.10 118.68 122.34 1uk1 s LEU 854 Ca 0.26 -0.05 -0.15 0.00 -2.89 0.00 0.00 54.13 51.30 1uk1 s LEU 854 Cb -0.09 -2.49 -0.02 0.00 0.66 0.00 0.00 46.19 44.25 1uk1 s LEU 854 CO -0.11 0.12 1.06 -1.38 -1.89 0.00 0.00 176.35 174.15 1uk1 s HIS 855 N -1.58 2.96 -0.23 5.38 -3.43 -1.26 -4.67 115.29 112.45 1uk1 s HIS 855 Ca 0.30 1.50 -0.01 0.00 -0.80 0.00 0.00 55.06 56.06 1uk1 s HIS 855 Cb -0.11 -3.00 0.00 0.00 -1.43 0.00 0.00 32.58 28.04 1uk1 s HIS 855 CO 0.23 -1.22 0.01 -1.71 -2.00 0.00 0.00 174.74 170.05 1uk1 n ASN 856 N -2.33 -6.33 -3.77 7.38 2.85 -1.26 -1.90 115.26 109.90 1uk1 n ASN 856 Ca 0.09 1.10 -0.13 0.00 -0.11 0.00 0.00 54.58 55.53 1uk1 n ASN 856 Cb 0.53 -4.34 -0.13 0.00 1.24 0.00 0.00 39.78 37.08 1uk1 n ASN 856 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1uk1 s ARG 857 N -1.23 0.15 0.04 1.20 3.52 -1.26 -0.91 118.95 120.46 1uk1 s ARG 857 Ca -0.01 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1uk1 s ARG 857 Cb 0.00 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.30 1uk1 s ARG 857 CO 0.60 -0.11 -0.04 1.03 -0.81 0.00 0.00 175.30 175.97 1uk1 s ARG 858 N 0.78 0.45 -0.43 5.12 0.52 0.27 -0.18 118.95 125.49 1uk1 s ARG 858 Ca -0.06 -0.80 -0.23 0.00 -0.52 0.00 0.00 55.73 54.13 1uk1 s ARG 858 Cb -0.07 0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.42 1uk1 s ARG 858 CO -0.04 -0.03 0.77 -1.17 0.02 0.00 0.00 175.30 174.85 1uk1 s LEU 859 N -1.84 4.24 0.27 2.53 2.96 -0.10 -0.52 118.68 126.21 1uk1 s LEU 859 Ca -0.09 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1uk1 s LEU 859 Cb -0.06 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 1uk1 s LEU 859 CO -0.02 -0.86 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.34 1uk1 s LEU 860 N 3.21 2.43 0.16 -0.68 1.43 -0.40 -4.53 118.68 120.29 1uk1 s LEU 860 Ca 0.30 -1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 51.98 1uk1 s LEU 860 Cb -0.12 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 1uk1 s LEU 860 CO 0.21 -0.37 0.71 0.26 0.23 0.00 0.00 176.35 177.39 1uk1 s TRP 861 N -3.09 3.81 -0.34 0.29 0.52 0.23 -0.95 118.94 119.42 1uk1 s TRP 861 Ca 0.29 1.48 -0.00 0.00 0.02 0.00 0.00 56.10 57.89 1uk1 s TRP 861 Cb 0.04 -2.66 0.11 0.00 -1.15 0.00 0.00 33.47 29.81 1uk1 s TRP 861 CO 0.11 0.49 0.14 -1.58 0.02 0.00 0.00 176.95 176.12 1uk1 s HIS 862 N -1.24 1.71 0.18 -1.98 2.46 0.26 -1.17 115.29 115.50 1uk1 s HIS 862 Ca 0.36 -1.88 -0.24 0.00 0.47 0.00 0.00 55.06 53.77 1uk1 s HIS 862 Cb -0.20 -1.71 -0.08 0.00 -0.13 0.00 0.00 32.58 30.46 1uk1 s HIS 862 CO 0.23 -0.85 0.76 0.20 -2.47 0.00 0.00 174.74 172.60 1uk1 s GLY 863 N 1.31 2.83 0.05 1.59 0.00 -1.25 -0.82 107.32 111.04 1uk1 s GLY 863 Ca 0.12 0.30 -0.02 0.00 0.00 0.00 0.00 44.72 45.12 1uk1 s GLY 863 CO -0.18 0.77 0.00 -0.45 0.00 0.00 0.00 173.10 173.24 1uk1 s SER 864 N -1.28 0.41 0.85 1.64 0.15 -1.25 -4.69 113.70 109.53 1uk1 s SER 864 Ca 0.37 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 55.98 1uk1 s SER 864 Cb -0.21 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1uk1 s SER 864 CO 0.24 -0.59 0.10 0.54 1.20 0.00 0.00 173.24 174.74 1uk1 n ARG 865 N 0.25 0.00 -0.19 5.44 1.74 -1.01 -4.19 116.66 118.69 1uk1 n ARG 865 Ca -0.15 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 1uk1 n ARG 865 Cb 0.61 -1.56 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1uk1 n ARG 865 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1uk1 h THR 866 N -0.89 1.21 0.00 0.55 1.35 -1.91 -3.12 112.91 110.10 1uk1 h THR 866 Ca -0.44 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1uk1 h THR 866 Cb 1.32 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1uk1 h THR 866 CO 0.35 0.24 0.14 0.35 -0.25 0.00 0.00 175.52 176.35 1uk1 n THR 867 N -4.55 1.18 0.10 6.82 -2.24 -1.26 -0.78 114.28 113.54 1uk1 n THR 867 Ca 0.03 0.62 -0.01 0.00 -2.27 0.00 0.00 64.05 62.42 1uk1 n THR 867 Cb 0.13 -1.62 -0.03 0.00 -2.10 0.00 0.00 70.33 66.71 1uk1 n THR 867 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1uk1 h ASN 868 N 0.00 0.00 1.48 3.42 2.35 -1.81 -3.37 115.58 117.65 1uk1 h ASN 868 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1uk1 h ASN 868 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1uk1 h ASN 868 CO 0.00 0.69 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.90 1uk1 h PHE 869 N 0.00 0.00 -1.07 1.19 -1.00 -1.11 0.30 116.94 115.25 1uk1 h PHE 869 Ca -0.02 0.00 0.30 0.00 2.81 0.00 0.00 57.97 61.06 1uk1 h PHE 869 Cb 1.54 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 41.04 1uk1 h PHE 869 CO 0.00 0.31 0.74 0.00 -1.61 0.00 0.00 178.31 177.75 1uk1 h ALA 870 N 1.69 2.76 0.07 2.45 0.00 -1.78 -1.58 119.26 122.86 1uk1 h ALA 870 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1uk1 h ALA 870 Cb 1.13 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1uk1 h ALA 870 CO 0.04 -1.10 -1.93 0.41 0.00 0.00 0.00 179.25 176.68 1uk1 n GLY 871 N -1.66 -0.73 0.31 0.00 0.00 -0.07 -3.38 105.19 99.66 1uk1 n GLY 871 Ca 0.24 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1uk1 n GLY 871 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uk1 h ILE 872 N 0.04 0.67 0.08 -0.61 2.04 -1.09 0.18 117.51 118.82 1uk1 h ILE 872 Ca -0.38 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.27 1uk1 h ILE 872 Cb 2.03 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1uk1 h ILE 872 CO 0.07 0.00 -1.05 -0.07 0.00 0.00 0.00 178.15 177.10 1uk1 h LEU 873 N 0.00 0.27 -1.00 1.44 3.38 -1.42 -1.61 115.31 116.37 1uk1 h LEU 873 Ca 0.06 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1uk1 h LEU 873 Cb 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uk1 h LEU 873 CO -0.00 1.46 0.00 0.77 0.09 0.00 0.00 178.44 180.76 1uk1 h SER 874 N -0.54 0.00 0.00 -0.43 4.64 -1.57 -3.36 113.55 112.29 1uk1 h SER 874 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1uk1 h SER 874 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1uk1 h SER 874 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1uk1 n GLN 875 N -2.65 -0.30 -1.07 4.77 6.02 0.62 -5.00 117.38 119.78 1uk1 n GLN 875 Ca 0.02 -0.39 0.14 0.00 -0.01 0.00 0.00 57.00 56.76 1uk1 n GLN 875 Cb 0.28 -0.79 -0.04 0.00 1.02 0.00 0.00 30.24 30.71 1uk1 n GLN 875 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uk1 n GLY 876 N -0.04 -1.99 3.73 1.08 0.00 -0.61 -4.71 105.19 102.66 1uk1 n GLY 876 Ca 0.00 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1uk1 n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uk1 s LEU 877 N -6.10 3.51 0.13 0.99 1.43 -1.26 -4.44 118.68 112.94 1uk1 s LEU 877 Ca 0.00 2.51 0.06 0.00 -1.03 0.00 0.00 54.13 55.67 1uk1 s LEU 877 Cb 0.00 -4.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 1uk1 s LEU 877 CO 0.00 -2.02 -0.14 -0.13 0.23 0.00 0.00 176.35 174.29 1uk1 s ARG 878 N -3.52 1.06 0.39 1.70 0.52 -1.26 -4.97 118.95 112.86 1uk1 s ARG 878 Ca 0.79 -1.27 -0.24 0.00 -0.52 0.00 0.00 55.73 54.49 1uk1 s ARG 878 Cb -0.34 -0.94 -0.09 0.00 0.52 0.00 0.00 34.95 34.10 1uk1 s ARG 878 CO 0.40 0.18 1.02 0.96 0.02 0.00 0.00 175.30 177.88 1uk1 s ILE 879 N -2.21 3.89 0.36 1.52 -4.36 -1.26 -4.73 121.20 114.41 1uk1 s ILE 879 Ca 0.10 1.42 -0.23 0.00 -0.26 0.00 0.00 60.65 61.69 1uk1 s ILE 879 Cb -0.04 -3.72 -0.15 0.00 1.25 0.00 0.00 42.46 39.79 1uk1 s ILE 879 CO 0.03 -0.02 0.29 0.00 0.24 0.00 0.00 174.94 175.49 1uk1 n ALA 880 N -0.06 -2.60 -0.94 2.27 0.00 -1.26 -4.93 120.51 112.99 1uk1 n ALA 880 Ca 0.05 0.20 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1uk1 n ALA 880 Cb 0.50 -1.58 0.06 0.00 0.00 0.00 0.00 19.45 18.44 1uk1 n ALA 880 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1uk1 n PRO 881 N 1.10 -0.22 -0.92 0.00 -0.02 -1.26 -4.75 135.00 128.93 1uk1 n PRO 881 Ca 0.13 -0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 1uk1 n PRO 881 Cb 0.37 -1.19 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 1uk1 n PRO 881 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1uk1 n PRO 882 N 1.44 1.73 0.00 0.52 -0.04 -1.26 -3.01 135.00 134.39 1uk1 n PRO 882 Ca -0.01 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1uk1 n PRO 882 Cb 0.63 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1uk1 n PRO 882 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1uk1 n GLU 883 N 1.38 0.00 -1.67 0.54 1.02 -1.26 -5.07 120.64 115.57 1uk1 n GLU 883 Ca 0.28 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.95 1uk1 n GLU 883 Cb 0.64 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.02 1uk1 n GLU 883 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uk1 n ALA 884 N -0.14 1.17 -1.63 0.62 0.00 -1.16 -3.78 120.51 115.59 1uk1 n ALA 884 Ca 0.00 0.39 -0.55 0.00 0.00 0.00 0.00 53.44 53.28 1uk1 n ALA 884 Cb 0.00 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 1uk1 n ALA 884 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1uk1 n PRO 885 N 4.49 1.23 -0.32 0.00 -0.02 -1.26 -4.80 135.00 134.32 1uk1 n PRO 885 Ca 0.19 0.43 0.33 0.00 -2.02 0.00 0.00 63.50 62.43 1uk1 n PRO 885 Cb 0.29 -2.23 0.71 0.00 -0.02 0.00 0.00 33.50 32.24 1uk1 n PRO 885 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1uk1 h VAL 886 N 5.74 0.42 0.00 -1.45 2.07 -1.95 0.25 116.25 121.32 1uk1 h VAL 886 Ca -0.41 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1uk1 h VAL 886 Cb 1.32 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1uk1 h VAL 886 CO 0.98 0.01 0.00 0.41 0.02 0.00 0.00 177.57 178.99 1uk1 n THR 887 N -4.27 0.03 1.35 2.57 -1.04 -1.26 -3.47 114.28 108.19 1uk1 n THR 887 Ca 0.26 0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.42 1uk1 n THR 887 Cb 1.19 -0.53 0.64 0.00 -1.82 0.00 0.00 70.33 69.81 1uk1 n THR 887 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uk1 n GLY 888 N 1.11 -1.13 3.08 3.41 0.00 0.87 -4.84 105.19 107.68 1uk1 n GLY 888 Ca 0.17 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1uk1 n GLY 888 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uk1 s TYR 889 N -2.59 1.42 0.33 1.61 1.51 -1.23 -4.83 117.35 113.58 1uk1 s TYR 889 Ca 0.26 -0.40 0.11 0.00 -1.01 0.00 0.00 57.07 56.03 1uk1 s TYR 889 Cb 0.20 -0.98 1.00 0.00 -0.11 0.00 0.00 41.96 42.07 1uk1 s TYR 889 CO 0.49 -0.15 1.63 1.98 -1.11 0.00 0.00 175.55 178.40 1uk1 h MET 890 N 6.34 0.20 -1.19 -0.62 4.05 -1.89 -0.38 114.93 121.44 1uk1 h MET 890 Ca -0.33 -0.01 -0.55 0.00 -0.28 0.00 0.00 59.70 58.53 1uk1 h MET 890 Cb 1.17 -0.04 -0.42 0.00 -0.80 0.00 0.00 31.60 31.51 1uk1 h MET 890 CO 0.48 0.13 -0.80 1.19 0.23 0.00 0.00 176.91 178.14 1uk1 n PHE 891 N -5.18 3.01 -2.07 1.39 3.72 -1.26 -1.05 117.46 116.02 1uk1 n PHE 891 Ca 0.29 -2.76 0.00 0.00 -0.05 0.00 0.00 57.45 54.94 1uk1 n PHE 891 Cb 0.94 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 1uk1 n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uk1 n GLY 892 N -0.54 1.29 2.68 1.37 0.00 -0.16 -4.16 105.19 105.67 1uk1 n GLY 892 Ca 0.38 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1uk1 n GLY 892 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uk1 n LYS 893 N 4.96 2.76 0.00 1.61 5.02 -0.46 -4.75 118.16 127.30 1uk1 n LYS 893 Ca 0.00 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 52.82 1uk1 n LYS 893 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1uk1 n LYS 893 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uk1 n GLY 894 N -0.68 1.52 3.12 0.72 0.00 -1.26 -4.39 105.19 104.22 1uk1 n GLY 894 Ca 0.57 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 1uk1 n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uk1 s ILE 895 N 1.95 1.44 -0.12 -0.61 1.01 -0.81 -4.44 121.20 119.61 1uk1 s ILE 895 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1uk1 s ILE 895 Cb 0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1uk1 s ILE 895 CO 0.00 0.42 0.01 -0.31 0.00 0.00 0.00 174.94 175.05 1uk1 s TYR 896 N 0.21 3.16 -0.04 3.97 1.51 -1.26 -2.53 117.35 122.37 1uk1 s TYR 896 Ca -0.08 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1uk1 s TYR 896 Cb -0.13 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1uk1 s TYR 896 CO 0.03 0.30 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.68 1uk1 s PHE 897 N -0.35 0.59 0.08 2.71 0.40 -0.47 -4.77 117.98 116.17 1uk1 s PHE 897 Ca 0.07 -0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1uk1 s PHE 897 Cb -0.12 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1uk1 s PHE 897 CO 0.02 -0.15 0.07 0.00 0.70 0.00 0.00 175.22 175.86 1uk1 s ALA 898 N 0.86 3.54 0.10 5.36 0.00 -0.32 -0.92 121.76 130.38 1uk1 s ALA 898 Ca -0.11 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.91 1uk1 s ALA 898 Cb -0.13 -1.41 -0.13 0.00 0.00 0.00 0.00 23.12 21.45 1uk1 s ALA 898 CO -0.00 0.74 1.33 0.38 0.00 0.00 0.00 175.76 178.20 1uk1 h ASP 899 N 3.28 0.00 -3.43 0.00 3.04 -1.89 0.67 116.42 118.10 1uk1 h ASP 899 Ca -0.47 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 52.75 1uk1 h ASP 899 Cb 1.16 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.39 1uk1 h ASP 899 CO 0.65 0.91 0.87 -0.32 -2.04 0.00 0.00 179.24 179.32 1uk1 s MET 900 N -2.81 3.96 0.30 4.15 1.75 -1.26 -4.82 119.30 120.57 1uk1 s MET 900 Ca 0.01 0.92 0.02 0.00 -1.25 0.00 0.00 55.69 55.39 1uk1 s MET 900 Cb 0.10 -3.79 0.74 0.00 2.84 0.00 0.00 34.83 34.72 1uk1 s MET 900 CO 0.81 -1.05 1.58 -0.24 -0.65 0.00 0.00 175.02 175.47 1uk1 h VAL 901 N 5.89 0.08 -0.57 10.11 3.04 -1.84 -2.34 116.25 130.61 1uk1 h VAL 901 Ca -0.21 -0.01 -0.10 0.00 -1.01 0.00 0.00 66.70 65.37 1uk1 h VAL 901 Cb 1.06 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 1uk1 h VAL 901 CO 1.06 0.01 -0.02 0.77 -1.01 0.00 0.00 177.57 178.38 1uk1 h SER 902 N 0.04 0.99 -0.89 3.17 4.64 -1.92 0.18 113.55 119.76 1uk1 h SER 902 Ca 0.59 -0.28 0.26 0.00 -0.47 0.00 0.00 61.79 61.88 1uk1 h SER 902 Cb 1.21 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.00 1uk1 h SER 902 CO -0.87 1.05 0.67 0.50 -0.87 0.00 0.00 176.83 177.31 1uk1 h LYS 903 N 0.92 0.00 0.07 4.77 1.63 -1.75 -0.70 116.57 121.51 1uk1 h LYS 903 Ca 0.16 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.61 1uk1 h LYS 903 Cb 0.56 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 1uk1 h LYS 903 CO 0.03 0.00 -2.01 0.43 -3.45 0.00 0.00 179.45 174.45 1uk1 n SER 904 N -4.17 1.67 0.26 4.20 7.64 -1.05 -4.36 113.62 117.82 1uk1 n SER 904 Ca 0.18 0.21 0.10 0.00 1.01 0.00 0.00 58.87 60.37 1uk1 n SER 904 Cb 0.98 -0.49 0.69 0.00 -1.01 0.00 0.00 64.21 64.38 1uk1 n SER 904 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uk1 h ALA 905 N 0.35 1.73 -0.04 -0.43 0.00 0.67 -1.77 119.26 119.78 1uk1 h ALA 905 Ca -0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1uk1 h ALA 905 Cb 2.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1uk1 h ALA 905 CO 0.06 0.07 -0.30 -0.97 0.00 0.00 0.00 179.25 178.11 1uk1 h ASN 906 N 0.00 0.07 0.00 0.00 -0.73 -1.38 -3.00 115.58 110.54 1uk1 h ASN 906 Ca -0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1uk1 h ASN 906 Cb 0.11 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1uk1 h ASN 906 CO 0.01 0.37 0.13 -1.22 -0.37 0.00 0.00 177.43 176.35 1uk1 n TYR 907 N -4.16 0.05 0.23 0.67 4.01 -0.66 -1.79 117.16 115.51 1uk1 n TYR 907 Ca -0.02 0.03 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 1uk1 n TYR 907 Cb 0.36 -0.42 0.15 0.00 -0.31 0.00 0.00 39.34 39.13 1uk1 n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uk1 n HIS 909 N -2.94 -0.88 -2.67 0.00 8.25 -0.74 -3.93 115.22 112.31 1uk1 n HIS 909 Ca 0.03 0.35 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 1uk1 n HIS 909 Cb 0.52 -2.86 -0.03 0.00 1.12 0.00 0.00 29.99 28.75 1uk1 n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1uk1 s THR 910 N -3.12 4.11 0.53 1.59 -4.23 -1.26 -4.95 115.64 108.30 1uk1 s THR 910 Ca 0.08 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1uk1 s THR 910 Cb -0.03 -4.69 0.01 0.00 1.34 0.00 0.00 72.50 69.12 1uk1 s THR 910 CO 0.26 -1.34 0.78 -0.44 -0.54 0.00 0.00 174.62 173.34 1uk1 s SER 911 N 3.06 5.62 0.31 3.99 0.01 -1.24 -4.84 113.70 120.61 1uk1 s SER 911 Ca 0.37 0.40 0.23 0.00 1.31 0.00 0.00 55.95 58.26 1uk1 s SER 911 Cb -0.10 -1.47 1.03 0.00 0.21 0.00 0.00 66.02 65.69 1uk1 s SER 911 CO 0.21 -0.94 1.06 0.00 0.41 0.00 0.00 173.24 173.99 1uk1 n GLN 912 N -2.33 -0.02 -1.33 12.44 1.13 -1.26 0.48 117.38 126.48 1uk1 n GLN 912 Ca 0.04 0.85 -0.29 0.00 -1.94 0.00 0.00 57.00 55.65 1uk1 n GLN 912 Cb 0.58 -1.69 0.11 0.00 0.11 0.00 0.00 30.24 29.35 1uk1 n GLN 912 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uk1 n GLY 913 N -1.37 5.50 0.00 1.08 0.00 -1.26 -4.58 105.19 104.56 1uk1 n GLY 913 Ca 0.28 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1uk1 n GLY 913 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uk1 n ASP 914 N -0.98 0.00 -1.65 1.61 3.85 0.18 -5.07 116.55 114.50 1uk1 n ASP 914 Ca 0.59 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 54.54 1uk1 n ASP 914 Cb 0.98 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 40.83 1uk1 n ASP 914 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1uk1 n PRO 915 N 0.00 1.65 -4.25 0.11 -0.04 -0.46 -3.60 135.00 128.41 1uk1 n PRO 915 Ca 0.00 -1.51 -0.34 0.00 -0.04 0.00 0.00 63.50 61.61 1uk1 n PRO 915 Cb 0.00 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 31.73 1uk1 n PRO 915 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1uk1 s ILE 916 N -1.73 3.41 -0.05 0.52 -1.09 -1.26 -0.99 121.20 120.01 1uk1 s ILE 916 Ca 0.29 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1uk1 s ILE 916 Cb 0.24 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 1uk1 s ILE 916 CO 0.05 0.46 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.16 1uk1 s GLY 917 N 0.93 1.32 -0.40 6.18 0.00 0.01 -4.90 107.32 110.47 1uk1 s GLY 917 Ca -0.01 -1.05 -0.18 0.00 0.00 0.00 0.00 44.72 43.48 1uk1 s GLY 917 CO 0.01 -0.70 0.48 1.08 0.00 0.00 0.00 173.10 173.97 1uk1 s LEU 918 N -0.29 4.63 -0.17 0.66 1.43 -1.26 -1.25 118.68 122.44 1uk1 s LEU 918 Ca 0.00 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1uk1 s LEU 918 Cb -0.13 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1uk1 s LEU 918 CO 0.03 -0.57 0.08 -0.51 0.23 0.00 0.00 176.35 175.60 1uk1 s ILE 919 N 2.31 4.94 0.26 -0.59 2.07 -0.61 -3.95 121.20 125.63 1uk1 s ILE 919 Ca 0.15 0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.20 1uk1 s ILE 919 Cb -0.16 -3.21 -0.09 0.00 0.13 0.00 0.00 42.46 39.13 1uk1 s ILE 919 CO 0.14 0.48 0.78 -0.76 -1.91 0.00 0.00 174.94 173.68 1uk1 s LEU 920 N 0.13 4.30 -0.28 8.50 1.43 0.00 -0.06 118.68 132.70 1uk1 s LEU 920 Ca 0.06 1.51 -0.10 0.00 -1.03 0.00 0.00 54.13 54.57 1uk1 s LEU 920 Cb -0.12 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1uk1 s LEU 920 CO 0.00 -0.03 0.16 -0.76 0.23 0.00 0.00 176.35 175.95 1uk1 s LEU 921 N -2.14 3.90 -0.06 1.79 1.43 0.73 -0.57 118.68 123.76 1uk1 s LEU 921 Ca 0.46 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1uk1 s LEU 921 Cb -0.16 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1uk1 s LEU 921 CO 0.21 -0.07 -0.14 -0.83 0.23 0.00 0.00 176.35 175.75 1uk1 s GLY 922 N 1.70 1.54 -0.06 -3.19 0.00 -0.12 -0.94 107.32 106.25 1uk1 s GLY 922 Ca 0.07 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 1uk1 s GLY 922 CO 0.08 -0.69 1.26 1.85 0.00 0.00 0.00 173.10 175.60 1uk1 s GLU 923 N -0.60 4.32 -0.05 2.90 2.12 -0.18 -1.28 118.70 125.93 1uk1 s GLU 923 Ca 0.09 1.74 0.01 0.00 0.36 0.00 0.00 54.97 57.17 1uk1 s GLU 923 Cb -0.11 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.70 1uk1 s GLU 923 CO 0.01 -0.52 -0.04 0.14 -0.54 0.00 0.00 175.26 174.32 1uk1 s VAL 924 N 2.46 0.50 -0.95 3.70 -7.23 0.32 0.04 120.40 119.25 1uk1 s VAL 924 Ca 0.58 -0.09 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 1uk1 s VAL 924 Cb -0.26 -0.55 0.06 0.00 0.56 0.00 0.00 36.38 36.20 1uk1 s VAL 924 CO 0.22 0.22 1.34 0.00 -0.31 0.00 0.00 175.10 176.58 1uk1 s ALA 925 N 1.04 2.86 -0.06 1.32 0.00 -0.27 -0.57 121.76 126.08 1uk1 s ALA 925 Ca -0.09 -2.21 -0.16 0.00 0.00 0.00 0.00 51.96 49.50 1uk1 s ALA 925 Cb -0.14 -4.37 -0.30 0.00 0.00 0.00 0.00 23.12 18.31 1uk1 s ALA 925 CO -0.01 -3.41 0.71 -0.07 0.00 0.00 0.00 175.76 172.98 1uk1 h LEU 926 N 12.31 0.53 0.00 0.00 3.38 -1.22 -3.45 115.31 126.86 1uk1 h LEU 926 Ca 0.10 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1uk1 h LEU 926 Cb 1.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1uk1 h LEU 926 CO 1.34 1.64 0.00 0.61 0.09 0.00 0.00 178.44 182.11 1uk1 n GLY 927 N 1.76 4.01 3.57 0.83 0.00 -0.80 -2.74 105.19 111.82 1uk1 n GLY 927 Ca -0.22 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1uk1 n GLY 927 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uk1 s ASN 928 N -4.00 5.38 -0.25 1.61 0.01 -1.26 -4.79 114.94 111.64 1uk1 s ASN 928 Ca 0.00 -0.02 -0.14 0.00 -0.71 0.00 0.00 52.86 51.99 1uk1 s ASN 928 Cb 0.00 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 1uk1 s ASN 928 CO 0.00 0.12 0.31 -0.04 -1.51 0.00 0.00 177.10 175.98 1uk1 s MET 929 N 0.69 4.04 -0.39 -0.60 -1.94 -1.26 -1.63 119.30 118.22 1uk1 s MET 929 Ca 0.03 -0.04 -0.28 0.00 -1.71 0.00 0.00 55.69 53.68 1uk1 s MET 929 Cb -0.13 -3.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.07 1uk1 s MET 929 CO 0.02 -0.17 1.74 -0.47 -0.01 0.00 0.00 175.02 176.13 1uk1 s TYR 930 N 1.73 1.89 -0.03 -0.03 5.04 0.78 -4.70 117.35 122.02 1uk1 s TYR 930 Ca 0.13 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 55.12 1uk1 s TYR 930 Cb -0.15 -4.15 -0.03 0.00 0.35 0.00 0.00 41.96 37.98 1uk1 s TYR 930 CO 0.09 -2.68 0.98 -1.21 -1.34 0.00 0.00 175.55 171.38 1uk1 s GLU 931 N 5.75 4.52 -0.15 4.97 2.02 -1.26 -0.92 118.70 133.63 1uk1 s GLU 931 Ca 0.75 1.40 -0.06 0.00 0.02 0.00 0.00 54.97 57.08 1uk1 s GLU 931 Cb -0.19 -3.48 0.07 0.00 0.10 0.00 0.00 34.13 30.62 1uk1 s GLU 931 CO 0.31 -0.12 0.31 -0.51 0.02 0.00 0.00 175.26 175.28 1uk1 s LEU 932 N 1.28 -0.34 0.04 1.80 1.43 -0.91 -4.99 118.68 116.99 1uk1 s LEU 932 Ca 0.51 0.72 0.17 0.00 -1.03 0.00 0.00 54.13 54.50 1uk1 s LEU 932 Cb -0.20 0.93 -0.15 0.00 0.03 0.00 0.00 46.19 46.80 1uk1 s LEU 932 CO 0.25 -0.23 0.77 0.29 0.23 0.00 0.00 176.35 177.66 1uk1 n LYS 933 N 5.22 0.63 -4.73 1.70 5.02 -1.26 -1.45 118.16 123.29 1uk1 n LYS 933 Ca -0.09 0.19 -0.32 0.00 -2.02 0.00 0.00 58.31 56.07 1uk1 n LYS 933 Cb 0.50 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 1uk1 n LYS 933 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1uk1 s HIS 934 N -2.93 1.83 0.47 2.13 3.76 -1.26 -1.46 115.29 117.84 1uk1 s HIS 934 Ca -0.03 -1.02 -0.14 0.00 -0.15 0.00 0.00 55.06 53.71 1uk1 s HIS 934 Cb 0.09 -1.53 -0.07 0.00 1.11 0.00 0.00 32.58 32.17 1uk1 s HIS 934 CO 0.82 0.13 0.91 0.00 -0.85 0.00 0.00 174.74 175.75 1uk1 s ALA 935 N -2.93 3.17 -0.36 -1.40 0.00 -1.26 -5.02 121.76 113.95 1uk1 s ALA 935 Ca 0.08 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1uk1 s ALA 935 Cb 0.01 -2.97 0.17 0.00 0.00 0.00 0.00 23.12 20.33 1uk1 s ALA 935 CO 0.04 -0.15 0.48 -1.12 0.00 0.00 0.00 175.76 175.02 1uk1 s SER 936 N -3.10 -0.12 -1.39 0.00 0.01 -0.21 -5.05 113.70 103.85 1uk1 s SER 936 Ca 0.56 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.75 1uk1 s SER 936 Cb -0.10 1.26 0.09 0.00 0.21 0.00 0.00 66.02 67.47 1uk1 s SER 936 CO 0.31 -0.25 2.06 1.41 0.41 0.00 0.00 173.24 177.19 1uk1 n HIS 937 N 4.61 3.46 -3.63 2.43 8.25 -1.26 -3.33 115.22 125.74 1uk1 n HIS 937 Ca 0.09 -2.92 -0.37 0.00 -0.26 0.00 0.00 57.72 54.25 1uk1 n HIS 937 Cb 0.51 -2.36 -0.10 0.00 1.12 0.00 0.00 29.99 29.15 1uk1 n HIS 937 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1uk1 s ILE 938 N 2.31 5.28 0.19 1.59 -4.36 -1.26 -4.78 121.20 120.18 1uk1 s ILE 938 Ca 0.45 0.16 -0.12 0.00 -0.26 0.00 0.00 60.65 60.88 1uk1 s ILE 938 Cb 0.11 -3.49 0.12 0.00 1.25 0.00 0.00 42.46 40.45 1uk1 s ILE 938 CO -0.05 0.30 1.72 0.77 0.24 0.00 0.00 174.94 177.92 1uk1 h SER 939 N 7.99 0.05 -3.14 4.36 4.64 -1.89 -1.22 113.55 124.35 1uk1 h SER 939 Ca -0.36 0.09 -0.66 0.00 -0.47 0.00 0.00 61.79 60.39 1uk1 h SER 939 Cb 1.18 0.11 -0.35 0.00 -0.31 0.00 0.00 62.40 63.03 1uk1 h SER 939 CO 0.60 0.05 -0.86 -1.59 -0.87 0.00 0.00 176.83 174.16 1uk1 s LYS 940 N -6.13 2.84 -0.20 4.77 -2.85 -1.26 -4.83 119.74 112.08 1uk1 s LYS 940 Ca -0.13 -0.78 -0.13 0.00 -1.00 0.00 0.00 55.97 53.93 1uk1 s LYS 940 Cb 0.16 -2.40 -0.05 0.00 -2.06 0.00 0.00 37.83 33.48 1uk1 s LYS 940 CO 0.73 -0.13 0.25 -1.17 0.10 0.00 0.00 175.35 175.14 1uk1 s LEU 941 N 1.11 4.18 0.93 2.77 2.96 -1.26 -5.04 118.68 124.32 1uk1 s LEU 941 Ca -0.01 0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 1uk1 s LEU 941 Cb -0.14 -2.28 0.15 0.00 0.50 0.00 0.00 46.19 44.41 1uk1 s LEU 941 CO -0.08 0.06 1.13 -2.16 -1.32 0.00 0.00 176.35 173.98 1uk1 s PRO 942 N 0.83 1.01 0.47 0.98 0.04 -1.26 -4.89 135.00 132.18 1uk1 s PRO 942 Ca 0.13 0.36 -0.24 0.00 0.04 0.00 0.00 61.00 61.29 1uk1 s PRO 942 Cb -0.13 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1uk1 s PRO 942 CO 0.04 -2.30 1.35 0.15 0.04 0.00 0.00 177.00 176.28 1uk1 s LYS 943 N -5.20 3.60 0.00 4.56 3.01 -1.26 -2.53 119.74 121.92 1uk1 s LYS 943 Ca 0.64 2.23 0.00 0.00 -1.01 0.00 0.00 55.97 57.83 1uk1 s LYS 943 Cb -0.16 -2.54 0.00 0.00 -1.01 0.00 0.00 37.83 34.12 1uk1 s LYS 943 CO 0.54 -0.82 0.00 0.41 0.51 0.00 0.00 175.35 176.00 1uk1 n GLY 944 N 0.63 1.22 3.16 -3.33 0.00 -1.26 -5.02 105.19 100.58 1uk1 n GLY 944 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1uk1 n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uk1 s LYS 945 N -0.58 3.04 -0.02 1.61 1.02 -1.05 -4.63 119.74 119.13 1uk1 s LYS 945 Ca 0.00 -0.82 0.17 0.00 0.02 0.00 0.00 55.97 55.34 1uk1 s LYS 945 Cb 0.00 -2.55 -0.25 0.00 -0.52 0.00 0.00 37.83 34.52 1uk1 s LYS 945 CO 0.00 -0.12 0.45 0.72 -0.92 0.00 0.00 175.35 175.48 1uk1 n HIS 946 N 4.38 0.00 -4.03 3.18 8.25 -0.64 -4.62 115.22 121.73 1uk1 n HIS 946 Ca -0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.16 1uk1 n HIS 946 Cb 0.51 -0.31 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 1uk1 n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1uk1 s SER 947 N -3.68 0.12 0.01 0.41 1.04 -1.11 -4.42 113.70 106.07 1uk1 s SER 947 Ca -0.04 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.41 1uk1 s SER 947 Cb 0.11 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1uk1 s SER 947 CO 0.71 -0.86 -0.02 -0.69 0.98 0.00 0.00 173.24 173.36 1uk1 s VAL 948 N -4.01 4.02 -0.39 5.02 1.01 0.26 -0.16 120.40 126.15 1uk1 s VAL 948 Ca 0.21 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1uk1 s VAL 948 Cb 0.04 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1uk1 s VAL 948 CO 0.02 0.35 0.16 -0.75 0.00 0.00 0.00 175.10 174.88 1uk1 s LYS 949 N -1.61 2.08 0.08 2.72 2.20 -0.10 -0.83 119.74 124.28 1uk1 s LYS 949 Ca 0.20 -1.70 -0.31 0.00 -0.36 0.00 0.00 55.97 53.80 1uk1 s LYS 949 Cb -0.11 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1uk1 s LYS 949 CO 0.10 -0.98 1.67 0.20 -0.36 0.00 0.00 175.35 175.99 1uk1 s GLY 950 N 1.68 1.53 -0.28 5.54 0.00 0.50 -2.14 107.32 114.16 1uk1 s GLY 950 Ca 0.06 1.25 -0.26 0.00 0.00 0.00 0.00 44.72 45.76 1uk1 s GLY 950 CO -0.04 2.90 0.93 1.08 0.00 0.00 0.00 173.10 177.98 1uk1 s LEU 951 N 2.53 4.05 0.33 0.66 1.43 -0.53 -1.63 118.68 125.53 1uk1 s LEU 951 Ca 0.74 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1uk1 s LEU 951 Cb -0.41 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1uk1 s LEU 951 CO 0.33 -0.67 0.50 -0.83 0.23 0.00 0.00 176.35 175.91 1uk1 s GLY 952 N 1.46 1.38 0.15 -3.19 0.00 -1.25 -4.20 107.32 101.67 1uk1 s GLY 952 Ca 0.39 -1.13 0.25 0.00 0.00 0.00 0.00 44.72 44.24 1uk1 s GLY 952 CO 0.10 -1.07 1.59 0.58 0.00 0.00 0.00 173.10 174.31 1uk1 n LYS 953 N -1.70 0.25 -3.72 2.90 2.85 0.04 -4.43 118.16 114.35 1uk1 n LYS 953 Ca -0.04 0.14 -0.38 0.00 -1.05 0.00 0.00 58.31 56.98 1uk1 n LYS 953 Cb 0.57 -1.73 -0.12 0.00 -0.65 0.00 0.00 35.03 33.11 1uk1 n LYS 953 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1uk1 s THR 954 N -3.12 3.83 0.10 0.58 2.01 0.96 -0.85 115.64 119.14 1uk1 s THR 954 Ca 0.09 -1.33 -0.11 0.00 0.31 0.00 0.00 61.69 60.66 1uk1 s THR 954 Cb 0.13 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 1uk1 s THR 954 CO 0.65 -0.33 0.43 0.42 -0.69 0.00 0.00 174.62 175.10 1uk1 s THR 955 N 1.37 5.05 0.35 -0.82 -4.23 0.20 -3.88 115.64 113.69 1uk1 s THR 955 Ca 0.01 0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 60.76 1uk1 s THR 955 Cb -0.21 -3.66 -0.12 0.00 1.34 0.00 0.00 72.50 69.85 1uk1 s THR 955 CO 0.02 0.26 1.28 -0.81 -0.54 0.00 0.00 174.62 174.83 1uk1 n PRO 956 N 0.84 2.09 -1.53 3.99 -0.04 -1.26 -0.32 135.00 138.76 1uk1 n PRO 956 Ca -0.07 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.71 1uk1 n PRO 956 Cb 0.52 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1uk1 n PRO 956 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1uk1 n ASP 957 N 0.70 2.30 -0.04 3.54 -0.08 -0.94 -4.81 116.55 117.23 1uk1 n ASP 957 Ca 0.05 -0.05 0.24 0.00 -1.51 0.00 0.00 54.79 53.52 1uk1 n ASP 957 Cb 0.36 -1.44 0.69 0.00 2.34 0.00 0.00 41.12 43.08 1uk1 n ASP 957 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1uk1 h PRO 958 N 16.08 0.00 0.00 -0.67 0.13 -1.92 -1.12 132.00 144.49 1uk1 h PRO 958 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1uk1 h PRO 958 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uk1 h PRO 958 CO 1.10 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.32 1uk1 n SER 959 N -3.75 0.00 -1.41 1.44 2.88 -1.26 -3.08 113.62 108.45 1uk1 n SER 959 Ca 0.13 0.01 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1uk1 n SER 959 Cb 0.89 -0.01 0.04 0.00 -0.75 0.00 0.00 64.21 64.37 1uk1 n SER 959 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uk1 n ALA 960 N -0.94 2.49 -3.11 -1.46 0.00 -0.42 -5.04 120.51 112.03 1uk1 n ALA 960 Ca 0.00 -2.45 -0.42 0.00 0.00 0.00 0.00 53.44 50.57 1uk1 n ALA 960 Cb 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1uk1 n ALA 960 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1uk1 n ASN 961 N 0.33 6.04 -1.12 0.00 2.85 -1.18 -4.29 115.26 117.89 1uk1 n ASN 961 Ca 0.07 -3.35 -0.14 0.00 -0.11 0.00 0.00 54.58 51.06 1uk1 n ASN 961 Cb 1.10 -1.24 -0.01 0.00 1.24 0.00 0.00 39.78 40.87 1uk1 n ASN 961 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1uk1 n ILE 962 N 1.53 0.21 -3.71 -1.44 5.41 -1.22 -4.54 119.36 115.59 1uk1 n ILE 962 Ca 0.26 -0.05 -0.30 0.00 1.00 0.00 0.00 62.75 63.66 1uk1 n ILE 962 Cb 0.35 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.15 1uk1 n ILE 962 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1uk1 s SER 963 N -0.10 3.66 0.30 4.38 1.04 -1.26 -0.76 113.70 120.95 1uk1 s SER 963 Ca 0.20 -2.56 -0.00 0.00 0.48 0.00 0.00 55.95 54.07 1uk1 s SER 963 Cb -0.28 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 1uk1 s SER 963 CO 0.14 -0.28 0.50 -1.48 0.98 0.00 0.00 173.24 173.10 1uk1 s LEU 964 N 0.44 4.09 -1.25 2.42 -0.00 -0.86 -4.23 118.68 119.29 1uk1 s LEU 964 Ca 0.17 0.44 -0.05 0.00 -0.00 0.00 0.00 54.13 54.69 1uk1 s LEU 964 Cb -0.24 -3.27 0.05 0.00 -0.00 0.00 0.00 46.19 42.73 1uk1 s LEU 964 CO -0.01 -0.21 0.13 0.47 -0.00 0.00 0.00 176.35 176.73 1uk1 n ASP 965 N -1.40 0.14 0.00 1.48 10.43 -1.26 -1.42 116.55 124.52 1uk1 n ASP 965 Ca -0.05 -0.97 0.00 0.00 2.57 0.00 0.00 54.79 56.35 1uk1 n ASP 965 Cb 0.55 -1.21 0.00 0.00 1.84 0.00 0.00 41.12 42.30 1uk1 n ASP 965 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1uk1 n GLY 966 N -1.85 0.62 3.77 0.44 0.00 -1.26 -4.93 105.19 101.98 1uk1 n GLY 966 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1uk1 n GLY 966 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uk1 s VAL 967 N -2.31 5.18 0.29 1.61 -7.23 -0.50 -4.59 120.40 112.85 1uk1 s VAL 967 Ca 0.00 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1uk1 s VAL 967 Cb 0.00 -3.29 -0.08 0.00 0.56 0.00 0.00 36.38 33.58 1uk1 s VAL 967 CO 0.00 0.55 0.66 -1.81 -0.31 0.00 0.00 175.10 174.19 1uk1 s ASP 968 N -0.44 6.68 -0.23 4.85 1.11 0.75 -2.04 116.67 127.36 1uk1 s ASP 968 Ca 0.11 1.11 -0.04 0.00 0.18 0.00 0.00 52.55 53.91 1uk1 s ASP 968 Cb -0.12 -2.30 0.08 0.00 1.07 0.00 0.00 42.92 41.65 1uk1 s ASP 968 CO 0.02 -0.18 0.09 -0.69 1.18 0.00 0.00 175.17 175.59 1uk1 s VAL 969 N -1.97 0.21 -1.20 -1.27 1.01 0.06 -0.93 120.40 116.32 1uk1 s VAL 969 Ca 0.51 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1uk1 s VAL 969 Cb -0.11 -0.96 0.22 0.00 0.00 0.00 0.00 36.38 35.54 1uk1 s VAL 969 CO 0.21 -0.45 1.78 -0.81 0.00 0.00 0.00 175.10 175.83 1uk1 n PRO 970 N 5.15 4.13 -1.68 2.72 -0.05 -1.26 -3.46 135.00 140.55 1uk1 n PRO 970 Ca -0.07 -3.96 -0.40 0.00 -0.05 0.00 0.00 63.50 59.03 1uk1 n PRO 970 Cb 0.46 -2.72 -0.01 0.00 -0.05 0.00 0.00 33.50 31.17 1uk1 n PRO 970 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 175.50 176.92 1uk1 n LEU 971 N 2.51 8.15 -4.26 1.53 -0.00 -1.26 -4.84 117.00 118.83 1uk1 n LEU 971 Ca 0.37 -4.55 -0.29 0.00 -0.00 0.00 0.00 56.01 51.54 1uk1 n LEU 971 Cb 0.33 -1.49 -0.16 0.00 -0.00 0.00 0.00 43.42 42.10 1uk1 n LEU 971 CO 0.76 1.92 -0.55 -0.83 -0.00 0.00 0.00 177.39 178.68 1uk1 s GLY 972 N 1.53 1.15 0.53 1.47 0.00 -1.26 -4.82 107.32 105.91 1uk1 s GLY 972 Ca 0.59 -1.00 -0.22 0.00 0.00 0.00 0.00 44.72 44.09 1uk1 s GLY 972 CO -0.07 -0.81 1.37 -1.59 0.00 0.00 0.00 173.10 172.00 1uk1 s THR 973 N -0.50 2.07 -0.78 0.90 2.01 -1.25 -3.08 115.64 115.00 1uk1 s THR 973 Ca 0.08 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 1uk1 s THR 973 Cb -0.09 -3.03 -0.17 0.00 0.01 0.00 0.00 72.50 69.22 1uk1 s THR 973 CO -0.00 0.00 2.39 0.61 -0.69 0.00 0.00 174.62 176.93 1uk1 n GLY 974 N 0.71 -0.17 3.78 4.40 0.00 -1.08 -2.21 105.19 110.61 1uk1 n GLY 974 Ca 0.10 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 46.15 1uk1 n GLY 974 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uk1 s ILE 975 N 10.85 5.11 -0.33 -0.61 -1.09 0.56 -4.94 121.20 130.75 1uk1 s ILE 975 Ca 1.06 0.86 -0.35 0.00 -2.23 0.00 0.00 60.65 59.99 1uk1 s ILE 975 Cb -0.39 -3.75 -0.11 0.00 -1.58 0.00 0.00 42.46 36.64 1uk1 s ILE 975 CO 0.26 0.47 2.19 -1.54 -1.23 0.00 0.00 174.94 175.08 1uk1 n SER 976 N 2.69 2.23 -3.99 3.58 3.41 -1.26 -0.62 113.62 119.66 1uk1 n SER 976 Ca -0.11 0.40 -0.28 0.00 -0.26 0.00 0.00 58.87 58.61 1uk1 n SER 976 Cb 0.52 -1.29 0.23 0.00 -0.26 0.00 0.00 64.21 63.41 1uk1 n SER 976 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1uk1 n SER 977 N 9.98 -2.76 -0.36 4.04 3.41 -0.03 -4.80 113.62 123.11 1uk1 n SER 977 Ca 0.40 -0.38 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 1uk1 n SER 977 Cb 0.25 -1.03 0.51 0.00 -0.26 0.00 0.00 64.21 63.68 1uk1 n SER 977 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uk1 n GLY 978 N 1.75 -0.20 3.48 5.00 0.00 -1.26 -4.85 105.19 109.10 1uk1 n GLY 978 Ca 0.05 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1uk1 n GLY 978 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uk1 s VAL 979 N -1.91 4.36 -0.04 1.61 1.01 -1.26 -4.78 120.40 119.38 1uk1 s VAL 979 Ca 0.35 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1uk1 s VAL 979 Cb 0.18 -4.81 -0.32 0.00 0.00 0.00 0.00 36.38 31.43 1uk1 s VAL 979 CO 0.28 -1.60 0.88 -0.55 0.00 0.00 0.00 175.10 174.12 1uk1 h ASN 980 N 9.36 0.50 0.00 3.32 7.08 -1.91 -3.29 115.58 130.63 1uk1 h ASN 980 Ca -0.02 -0.95 0.00 0.00 -3.08 0.00 0.00 56.30 52.25 1uk1 h ASN 980 Cb 1.04 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.12 1uk1 h ASN 980 CO 1.21 1.44 0.00 -0.90 -2.08 0.00 0.00 177.43 177.09 1uk1 n ASP 981 N -4.08 0.00 -3.97 6.14 3.85 -1.26 -4.85 116.55 112.38 1uk1 n ASP 981 Ca -0.15 0.00 -0.09 0.00 -0.71 0.00 0.00 54.79 53.84 1uk1 n ASP 981 Cb 0.85 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.55 1uk1 n ASP 981 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1uk1 s THR 982 N 0.00 0.11 -2.48 2.12 -1.32 -1.26 -4.91 115.64 107.90 1uk1 s THR 982 Ca 0.00 -1.44 0.23 0.00 -1.21 0.00 0.00 61.69 59.27 1uk1 s THR 982 Cb 0.00 -1.67 0.42 0.00 -1.51 0.00 0.00 72.50 69.74 1uk1 s THR 982 CO 0.00 -0.51 1.48 -1.20 -2.21 0.00 0.00 174.62 172.18 1uk1 n SER 983 N -0.11 2.42 -4.41 8.08 7.64 -0.53 -4.93 113.62 121.77 1uk1 n SER 983 Ca -0.10 -1.82 -0.32 0.00 1.01 0.00 0.00 58.87 57.64 1uk1 n SER 983 Cb 0.63 -0.12 -0.14 0.00 -1.01 0.00 0.00 64.21 63.56 1uk1 n SER 983 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uk1 s LEU 984 N -1.66 2.47 -0.12 -3.43 1.43 -1.26 -5.00 118.68 111.11 1uk1 s LEU 984 Ca 0.34 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1uk1 s LEU 984 Cb 0.20 -1.47 -0.24 0.00 0.03 0.00 0.00 46.19 44.71 1uk1 s LEU 984 CO 0.29 0.33 0.35 0.18 0.23 0.00 0.00 176.35 177.73 1uk1 n LEU 985 N 2.30 1.99 -4.73 1.79 4.77 -1.26 -2.96 117.00 118.89 1uk1 n LEU 985 Ca -0.17 0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 1uk1 n LEU 985 Cb 0.52 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1uk1 n LEU 985 CO 0.25 0.71 -0.26 -0.31 -1.33 0.00 0.00 177.39 176.45 1uk1 s TYR 986 N -2.56 2.95 0.70 -1.77 2.02 -1.26 -0.03 117.35 117.41 1uk1 s TYR 986 Ca -0.18 -0.12 -0.16 0.00 -0.37 0.00 0.00 57.07 56.23 1uk1 s TYR 986 Cb 0.07 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 1uk1 s TYR 986 CO 0.77 0.54 1.26 -0.80 -1.57 0.00 0.00 175.55 175.75 1uk1 s ASN 987 N -3.40 4.25 0.08 2.29 0.02 -1.25 -3.87 114.94 113.05 1uk1 s ASN 987 Ca 0.31 2.52 0.02 0.00 -1.02 0.00 0.00 52.86 54.69 1uk1 s ASN 987 Cb -0.08 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.54 1uk1 s ASN 987 CO 0.22 -2.24 -0.07 -1.83 0.02 0.00 0.00 177.10 173.20 1uk1 s GLU 988 N -3.66 0.75 0.01 -0.60 -1.05 -0.65 -4.28 118.70 109.22 1uk1 s GLU 988 Ca 0.79 -1.16 0.09 0.00 -0.15 0.00 0.00 54.97 54.54 1uk1 s GLU 988 Cb -0.34 -0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.08 1uk1 s GLU 988 CO 0.43 0.01 -0.26 0.71 0.95 0.00 0.00 175.26 177.10 1uk1 s TYR 989 N -2.91 2.33 -0.01 4.83 1.51 -0.10 -0.37 117.35 122.63 1uk1 s TYR 989 Ca 0.05 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1uk1 s TYR 989 Cb 0.00 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1uk1 s TYR 989 CO -0.03 0.05 0.03 0.42 -1.11 0.00 0.00 175.55 174.91 1uk1 s ILE 990 N -0.71 -0.02 0.02 2.71 1.09 -0.01 -1.37 121.20 122.90 1uk1 s ILE 990 Ca 0.11 0.07 0.07 0.00 -1.10 0.00 0.00 60.65 59.80 1uk1 s ILE 990 Cb -0.10 -0.06 -0.02 0.00 -1.06 0.00 0.00 42.46 41.22 1uk1 s ILE 990 CO 0.01 0.03 -0.20 0.68 -0.10 0.00 0.00 174.94 175.36 1uk1 s VAL 991 N 0.38 1.56 -2.79 2.92 -7.23 -1.05 -0.57 120.40 113.61 1uk1 s VAL 991 Ca -0.03 -1.03 0.24 0.00 -1.81 0.00 0.00 61.98 59.34 1uk1 s VAL 991 Cb -0.04 -1.34 0.29 0.00 0.56 0.00 0.00 36.38 35.85 1uk1 s VAL 991 CO -0.01 0.27 1.33 -1.22 -0.31 0.00 0.00 175.10 175.17 1uk1 n TYR 992 N 2.14 0.18 -5.13 2.82 4.02 -1.26 -1.93 117.16 118.00 1uk1 n TYR 992 Ca -0.16 -0.09 -0.32 0.00 -0.01 0.00 0.00 57.90 57.31 1uk1 n TYR 992 Cb 0.53 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.69 1uk1 n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1uk1 s ASP 993 N -1.81 3.31 0.51 7.72 -1.08 -1.26 -4.96 116.67 119.10 1uk1 s ASP 993 Ca 0.32 -0.49 0.18 0.00 -0.52 0.00 0.00 52.55 52.04 1uk1 s ASP 993 Cb 0.21 -1.31 1.27 0.00 -1.46 0.00 0.00 42.92 41.63 1uk1 s ASP 993 CO 0.31 0.19 2.10 0.16 0.52 0.00 0.00 175.17 178.45 1uk1 h ILE 994 N 5.46 0.94 0.00 4.11 3.07 -1.93 -0.13 117.51 129.03 1uk1 h ILE 994 Ca -0.24 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1uk1 h ILE 994 Cb 1.22 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 1uk1 h ILE 994 CO 0.49 0.01 0.00 0.00 -1.05 0.00 0.00 178.15 177.60 1uk1 n ALA 995 N -2.56 2.43 0.45 0.16 0.00 -1.26 -3.50 120.51 116.22 1uk1 n ALA 995 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1uk1 n ALA 995 Cb 0.22 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.51 1uk1 n ALA 995 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1uk1 n GLN 996 N -0.90 2.39 -3.72 0.00 7.27 -0.06 -4.34 117.38 118.03 1uk1 n GLN 996 Ca 0.15 -1.40 -0.12 0.00 0.07 0.00 0.00 57.00 55.71 1uk1 n GLN 996 Cb 0.07 -1.60 -0.12 0.00 2.41 0.00 0.00 30.24 31.00 1uk1 n GLN 996 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uk1 s VAL 997 N -1.70 -0.03 -0.03 1.69 0.11 -1.23 -1.11 120.40 118.09 1uk1 s VAL 997 Ca 0.25 0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 1uk1 s VAL 997 Cb 0.16 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1uk1 s VAL 997 CO 0.11 0.05 -0.14 0.54 -3.33 0.00 0.00 175.10 172.33 1uk1 s ASN 998 N 1.25 1.78 0.04 3.54 4.22 0.11 -4.96 114.94 120.93 1uk1 s ASN 998 Ca -0.09 -0.29 -0.31 0.00 -2.14 0.00 0.00 52.86 50.04 1uk1 s ASN 998 Cb -0.09 -0.44 -0.07 0.00 1.28 0.00 0.00 41.25 41.93 1uk1 s ASN 998 CO -0.09 0.13 1.50 -0.76 -2.04 0.00 0.00 177.10 175.83 1uk1 s LEU 999 N 0.03 4.34 -0.19 3.54 1.43 -1.26 -1.01 118.68 125.56 1uk1 s LEU 999 Ca -0.02 2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 55.20 1uk1 s LEU 999 Cb -0.10 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 1uk1 s LEU 999 CO 0.01 -0.78 -0.34 0.29 0.23 0.00 0.00 176.35 175.76 1uk1 n LYS 1000N 5.26 0.52 -4.39 1.70 4.76 -0.12 -4.71 118.16 121.19 1uk1 n LYS 1000Ca 0.14 0.21 -0.28 0.00 -2.87 0.00 0.00 58.31 55.50 1uk1 n LYS 1000Cb 0.42 -1.41 -0.13 0.00 -1.84 0.00 0.00 35.03 32.08 1uk1 n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1uk1 s TYR 1001N -2.82 2.27 -0.01 2.13 2.02 -0.84 -1.41 117.35 118.70 1uk1 s TYR 1001Ca -0.29 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 1uk1 s TYR 1001Cb 0.05 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 1uk1 s TYR 1001CO 0.42 0.34 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.56 1uk1 s LEU 1002N -2.09 3.42 -0.10 -1.29 0.20 0.12 -0.19 118.68 118.76 1uk1 s LEU 1002Ca 0.14 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.96 1uk1 s LEU 1002Cb -0.10 -1.94 0.00 0.00 -0.43 0.00 0.00 46.19 43.72 1uk1 s LEU 1002CO 0.06 0.29 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.43 1uk1 s LEU 1003N -1.45 2.03 -0.22 -0.68 1.02 0.92 -0.67 118.68 119.62 1uk1 s LEU 1003Ca 0.18 -0.53 -0.24 0.00 0.02 0.00 0.00 54.13 53.57 1uk1 s LEU 1003Cb -0.11 -1.33 -0.01 0.00 0.02 0.00 0.00 46.19 44.76 1uk1 s LEU 1003CO 0.09 0.13 0.79 -0.75 0.02 0.00 0.00 176.35 176.63 1uk1 s LYS 1004N 0.44 4.20 -0.10 1.70 2.20 -0.59 -1.57 119.74 126.02 1uk1 s LYS 1004Ca -0.17 0.88 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 1uk1 s LYS 1004Cb -0.17 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1uk1 s LYS 1004CO 0.07 -0.44 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.95 1uk1 s LEU 1005N 2.57 1.77 -0.28 5.43 1.43 -0.38 -1.21 118.68 128.01 1uk1 s LEU 1005Ca 0.34 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 1uk1 s LEU 1005Cb -0.16 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1uk1 s LEU 1005CO 0.09 0.04 0.62 -0.75 0.23 0.00 0.00 176.35 176.59 1uk1 s LYS 1006N 0.80 4.00 -0.67 1.70 2.20 -0.52 -0.81 119.74 126.46 1uk1 s LYS 1006Ca -0.11 0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 55.65 1uk1 s LYS 1006Cb -0.16 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1uk1 s LYS 1006CO 0.01 -0.49 1.68 -0.06 -0.36 0.00 0.00 175.35 176.14 1uk1 s PHE 1007N 2.55 1.86 -0.52 4.03 0.40 -0.16 -1.26 117.98 124.87 1uk1 s PHE 1007Ca 0.25 0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 56.91 1uk1 s PHE 1007Cb -0.15 -4.26 0.08 0.00 0.51 0.00 0.00 43.02 39.20 1uk1 s PHE 1007CO 0.10 -2.22 0.58 1.21 0.70 0.00 0.00 175.22 175.59 1uk1 s ASN 1008N 6.75 6.19 0.00 1.36 2.47 -0.54 -4.73 114.94 126.44 1uk1 s ASN 1008Ca 0.57 -1.22 0.00 0.00 0.42 0.00 0.00 52.86 52.63 1uk1 s ASN 1008Cb -0.11 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1uk1 s ASN 1008CO 0.18 -0.88 0.00 0.49 -3.72 0.00 0.00 177.10 173.17 1uk1 n PHE 1009N 5.88 0.00 -3.93 0.43 3.01 -1.26 -0.84 117.46 120.75 1uk1 n PHE 1009Ca -0.09 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.27 1uk1 n PHE 1009Cb 0.44 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.84 1uk1 n PHE 1009CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1uk1 s LYS 1010N 0.00 1.15 0.00 -1.08 -0.14 -1.26 -3.94 119.74 114.47 1uk1 s LYS 1010Ca 0.00 -1.13 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 1uk1 s LYS 1010Cb 0.00 0.39 0.00 0.00 -1.68 0.00 0.00 37.83 36.54 1uk1 s LYS 1010CO 0.00 -0.42 0.29 0.25 -0.76 0.00 0.00 175.35 174.71