#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wok s SER 663 N 0.00 1.55 -0.11 3.14 0.15 -1.26 0.31 113.70 117.47 1wok s SER 663 Ca 0.00 -0.74 0.15 0.00 0.70 0.00 0.00 55.95 56.06 1wok s SER 663 Cb 0.00 -0.02 0.25 0.00 -1.71 0.00 0.00 66.02 64.55 1wok s SER 663 CO 0.00 -0.19 1.13 2.29 1.20 0.00 0.00 173.24 177.67 1wok n LYS 664 N 0.80 1.06 -4.11 5.44 -0.00 -1.26 -5.03 118.16 115.07 1wok n LYS 664 Ca -0.18 -2.36 -0.34 0.00 -0.00 0.00 0.00 58.31 55.43 1wok n LYS 664 Cb 0.56 -1.31 -0.10 0.00 -0.00 0.00 0.00 35.03 34.18 1wok n LYS 664 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wok s LEU 665 N -2.37 3.69 -0.36 -5.58 2.01 -1.26 -5.03 118.68 109.79 1wok s LEU 665 Ca 0.27 0.05 -0.43 0.00 0.01 0.00 0.00 54.13 54.03 1wok s LEU 665 Cb 0.24 -1.92 -0.18 0.00 0.01 0.00 0.00 46.19 44.34 1wok s LEU 665 CO 0.01 0.19 1.62 -2.65 1.01 0.00 0.00 176.35 176.53 1wok n PRO 666 N 3.39 0.51 0.00 1.29 -0.02 -1.26 -4.49 135.00 134.43 1wok n PRO 666 Ca -0.17 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1wok n PRO 666 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1wok n PRO 666 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1wok n LYS 667 N 4.35 0.00 -0.32 -0.52 3.00 -1.26 0.12 118.16 123.52 1wok n LYS 667 Ca 0.28 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.65 1wok n LYS 667 Cb 0.03 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.28 1wok n LYS 667 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1wok h PRO 668 N 0.00 0.82 0.00 1.64 0.11 -2.00 -0.74 132.00 131.83 1wok h PRO 668 Ca 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1wok h PRO 668 Cb 0.00 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.92 1wok h PRO 668 CO 0.00 0.55 -0.06 0.28 -0.21 0.00 0.00 178.00 178.56 1wok h VAL 669 N 0.85 0.47 0.10 3.15 2.07 0.59 -2.52 116.25 120.96 1wok h VAL 669 Ca 0.46 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.55 1wok h VAL 669 Cb 0.48 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1wok h VAL 669 CO -0.28 0.06 -0.67 1.56 0.02 0.00 0.00 177.57 178.26 1wok h GLN 670 N 0.00 0.22 0.00 1.57 4.20 -1.17 -2.41 115.11 117.52 1wok h GLN 670 Ca -0.00 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1wok h GLN 670 Cb 0.18 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wok h GLN 670 CO 0.01 1.18 0.11 -0.44 -0.67 0.00 0.00 178.83 179.02 1wok h ASP 671 N -0.53 0.00 0.00 1.46 3.32 -1.05 -1.50 116.42 118.12 1wok h ASP 671 Ca -0.12 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1wok h ASP 671 Cb 1.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 1wok h ASP 671 CO 0.10 0.00 -0.28 0.25 -1.72 0.00 0.00 179.24 177.59 1wok h LEU 672 N 0.00 0.00 -0.52 1.55 5.85 -1.43 -3.01 115.31 117.75 1wok h LEU 672 Ca 0.00 -0.71 0.10 0.00 0.84 0.00 0.00 57.88 58.11 1wok h LEU 672 Cb 0.22 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1wok h LEU 672 CO 0.00 1.02 -0.09 0.40 -0.34 0.00 0.00 178.44 179.43 1wok h ILE 673 N -1.00 0.51 -0.07 4.05 1.08 -0.76 -1.37 117.51 119.95 1wok h ILE 673 Ca -0.07 -0.01 -0.13 0.00 -0.39 0.00 0.00 64.86 64.26 1wok h ILE 673 Cb 0.90 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1wok h ILE 673 CO -0.04 0.01 -0.53 0.07 -0.69 0.00 0.00 178.15 176.96 1wok h LYS 674 N 0.03 0.20 0.10 2.37 2.10 -1.59 -1.41 116.57 118.37 1wok h LYS 674 Ca 0.25 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1wok h LYS 674 Cb 0.39 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1wok h LYS 674 CO -0.51 0.68 -0.05 1.98 -2.00 0.00 0.00 179.45 179.55 1wok h MET 675 N 0.15 -0.13 0.02 0.07 4.05 -1.14 -1.83 114.93 116.13 1wok h MET 675 Ca 0.00 0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.21 1wok h MET 675 Cb 0.98 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1wok h MET 675 CO 0.08 0.10 -0.96 -0.84 0.23 0.00 0.00 176.91 175.52 1wok h ILE 676 N -0.35 1.44 -0.38 1.77 3.07 -1.39 -2.92 117.51 118.74 1wok h ILE 676 Ca -0.01 -2.56 -0.21 0.00 1.55 0.00 0.00 64.86 63.63 1wok h ILE 676 Cb 0.29 2.49 -0.12 0.00 -0.27 0.00 0.00 36.82 39.22 1wok h ILE 676 CO 0.02 0.76 0.26 0.49 -1.05 0.00 0.00 178.15 178.63 1wok n PHE 677 N -3.70 1.18 -2.62 0.16 3.72 -0.53 -4.72 117.46 110.96 1wok n PHE 677 Ca -0.06 -1.11 -0.43 0.00 -0.05 0.00 0.00 57.45 55.80 1wok n PHE 677 Cb 0.85 -0.56 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1wok n PHE 677 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wok s ASP 678 N 0.17 7.12 0.00 4.37 2.15 -0.69 -4.89 116.67 124.91 1wok s ASP 678 Ca 0.22 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.72 1wok s ASP 678 Cb 0.18 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1wok s ASP 678 CO 0.04 -0.60 0.71 1.33 -0.17 0.00 0.00 175.17 176.48 1wok n VAL 679 N 4.99 0.00 -0.29 1.11 0.24 -1.26 -3.65 118.33 119.46 1wok n VAL 679 Ca 0.11 1.20 0.12 0.00 -2.04 0.00 0.00 64.34 63.73 1wok n VAL 679 Cb 0.47 -2.19 0.28 0.00 -1.47 0.00 0.00 33.84 30.92 1wok n VAL 679 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wok h GLU 680 N 0.00 0.36 -0.61 7.34 4.81 -2.00 -2.23 114.58 122.26 1wok h GLU 680 Ca 0.00 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1wok h GLU 680 Cb 0.00 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1wok h GLU 680 CO 0.00 0.24 0.33 0.66 -0.73 0.00 0.00 179.01 179.51 1wok h SER 681 N 0.37 0.48 -0.80 1.04 4.64 -1.97 0.58 113.55 117.90 1wok h SER 681 Ca 0.53 0.03 0.16 0.00 -0.47 0.00 0.00 61.79 62.04 1wok h SER 681 Cb 0.98 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 62.91 1wok h SER 681 CO -0.53 0.31 0.33 0.24 -0.87 0.00 0.00 176.83 176.31 1wok h MET 682 N 0.61 0.43 -0.05 4.77 2.86 -1.47 0.69 114.93 122.78 1wok h MET 682 Ca 0.27 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.73 1wok h MET 682 Cb 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1wok h MET 682 CO -0.18 0.29 -0.67 0.87 1.06 0.00 0.00 176.91 178.29 1wok h LYS 683 N 0.45 0.21 0.00 1.72 1.57 -1.40 -1.75 116.57 117.37 1wok h LYS 683 Ca 0.45 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1wok h LYS 683 Cb 0.72 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1wok h LYS 683 CO -0.43 0.80 -0.35 -0.22 -0.57 0.00 0.00 179.45 178.68 1wok h LYS 684 N 0.15 0.00 0.14 3.15 3.11 0.19 -2.02 116.57 121.29 1wok h LYS 684 Ca -0.01 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.53 1wok h LYS 684 Cb 1.20 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.45 1wok h LYS 684 CO 0.10 0.35 -1.26 0.00 -2.81 0.00 0.00 179.45 175.83 1wok h ALA 685 N 1.65 0.04 -0.21 5.00 0.00 0.48 -3.28 119.26 122.94 1wok h ALA 685 Ca -0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 1wok h ALA 685 Cb 0.64 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wok h ALA 685 CO 0.05 0.80 -0.28 0.52 0.00 0.00 0.00 179.25 180.34 1wok h MET 686 N 0.17 0.56 0.20 0.00 2.86 -1.10 -3.26 114.93 114.36 1wok h MET 686 Ca -0.17 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1wok h MET 686 Cb 1.95 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.60 1wok h MET 686 CO 0.23 0.92 -0.43 0.28 1.06 0.00 0.00 176.91 178.97 1wok h VAL 687 N 0.24 0.15 -0.72 -2.22 2.07 -1.50 -1.18 116.25 113.09 1wok h VAL 687 Ca 0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.75 1wok h VAL 687 Cb 0.86 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1wok h VAL 687 CO 0.07 0.00 0.73 1.05 0.02 0.00 0.00 177.57 179.44 1wok h GLU 688 N -0.72 0.00 0.00 1.57 4.11 -1.64 1.05 114.58 118.95 1wok h GLU 688 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wok h GLU 688 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1wok h GLU 688 CO -0.20 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.54 1wok n TYR 689 N -3.65 0.00 -1.20 2.06 4.01 -0.45 -4.80 117.16 113.13 1wok n TYR 689 Ca 0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1wok n TYR 689 Cb 0.98 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.98 1wok n TYR 689 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1wok n GLU 690 N -0.56 -0.60 -2.88 -0.72 4.07 0.36 -5.00 120.64 115.31 1wok n GLU 690 Ca 0.02 0.70 -0.37 0.00 -0.06 0.00 0.00 57.16 57.46 1wok n GLU 690 Cb 0.01 -4.51 -0.06 0.00 -0.06 0.00 0.00 31.44 26.82 1wok n GLU 690 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1wok s ILE 691 N -2.20 4.32 -0.88 6.31 1.01 -1.14 -2.03 121.20 126.59 1wok s ILE 691 Ca 0.00 1.66 -0.17 0.00 0.00 0.00 0.00 60.65 62.14 1wok s ILE 691 Cb 0.00 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.66 1wok s ILE 691 CO 0.00 0.17 0.98 -0.62 0.00 0.00 0.00 174.94 175.48 1wok s ASP 692 N -1.61 6.65 0.41 3.58 2.15 0.05 -4.55 116.67 123.34 1wok s ASP 692 Ca 0.48 -2.23 0.25 0.00 0.43 0.00 0.00 52.55 51.47 1wok s ASP 692 Cb -0.18 -2.33 1.30 0.00 -0.30 0.00 0.00 42.92 41.41 1wok s ASP 692 CO 0.23 -0.90 1.66 -0.07 -0.17 0.00 0.00 175.17 175.92 1wok h LEU 693 N 9.50 0.33 0.00 -1.34 -0.00 -1.86 0.75 115.31 122.69 1wok h LEU 693 Ca 0.12 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1wok h LEU 693 Cb 1.03 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1wok h LEU 693 CO 0.99 -0.13 0.00 1.67 -0.00 0.00 0.00 178.44 180.96 1wok n GLN 694 N -4.76 0.00 0.24 1.13 -0.06 -1.26 -1.54 117.38 111.13 1wok n GLN 694 Ca 0.34 0.61 0.16 0.00 -2.00 0.00 0.00 57.00 56.11 1wok n GLN 694 Cb 1.24 -1.49 0.58 0.00 -4.06 0.00 0.00 30.24 26.52 1wok n GLN 694 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1wok h LYS 695 N 0.00 0.00 -2.69 3.69 1.79 -1.79 -3.31 116.57 114.26 1wok h LYS 695 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 1wok h LYS 695 Cb 0.00 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.25 1wok h LYS 695 CO 0.00 0.00 -0.45 -0.12 -1.08 0.00 0.00 179.45 177.80 1wok n MET 696 N -2.95 2.40 -2.12 3.15 1.56 0.26 -4.85 117.12 114.57 1wok n MET 696 Ca 0.01 -4.58 -0.42 0.00 -0.27 0.00 0.00 57.70 52.44 1wok n MET 696 Cb 0.33 -2.30 -0.03 0.00 2.15 0.00 0.00 33.22 33.37 1wok n MET 696 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wok s PRO 697 N -2.01 4.28 0.37 2.12 0.04 -0.59 -4.09 135.00 135.12 1wok s PRO 697 Ca 0.32 2.12 0.19 0.00 0.04 0.00 0.00 61.00 63.68 1wok s PRO 697 Cb 0.05 -3.38 1.21 0.00 0.04 0.00 0.00 34.50 32.41 1wok s PRO 697 CO -0.08 -0.54 1.65 1.25 0.04 0.00 0.00 177.00 179.32 1wok h LEU 698 N 7.52 0.42 -2.07 -3.56 6.46 -1.96 0.63 115.31 122.75 1wok h LEU 698 Ca -0.41 0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.50 1wok h LEU 698 Cb 1.20 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 41.26 1wok h LEU 698 CO 0.89 -0.19 0.05 0.61 -0.62 0.00 0.00 178.44 179.18 1wok n GLY 699 N -1.34 2.15 0.00 3.75 0.00 -1.26 -3.17 105.19 105.31 1wok n GLY 699 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1wok n GLY 699 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wok n LYS 700 N 0.33 0.09 -2.00 1.61 4.81 0.22 -5.07 118.16 118.16 1wok n LYS 700 Ca 0.05 -0.42 -0.39 0.00 -0.87 0.00 0.00 58.31 56.68 1wok n LYS 700 Cb 0.57 -0.71 0.01 0.00 0.02 0.00 0.00 35.03 34.92 1wok n LYS 700 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1wok s LEU 701 N -0.13 4.06 -0.01 3.14 1.43 -1.19 -4.99 118.68 121.00 1wok s LEU 701 Ca 0.00 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1wok s LEU 701 Cb 0.00 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 42.15 1wok s LEU 701 CO 0.00 -1.10 0.01 -0.55 0.23 0.00 0.00 176.35 174.94 1wok s SER 702 N -0.90 0.05 0.29 2.29 0.15 -1.26 -5.02 113.70 109.29 1wok s SER 702 Ca 0.63 0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.32 1wok s SER 702 Cb -0.37 -0.03 0.66 0.00 -1.71 0.00 0.00 66.02 64.56 1wok s SER 702 CO 0.46 -0.05 1.77 0.50 1.20 0.00 0.00 173.24 177.13 1wok h LYS 703 N 6.60 0.70 0.05 5.44 3.64 -1.95 -0.97 116.57 130.08 1wok h LYS 703 Ca -0.33 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 58.76 1wok h LYS 703 Cb 1.17 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1wok h LYS 703 CO 0.50 0.46 -1.24 0.00 -2.27 0.00 0.00 179.45 176.91 1wok h ARG 704 N 0.72 0.11 -0.10 1.90 -0.00 -1.99 -3.00 114.38 112.03 1wok h ARG 704 Ca 0.54 -0.19 0.03 0.00 -0.50 0.00 0.00 59.98 59.86 1wok h ARG 704 Cb 0.79 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.83 1wok h ARG 704 CO -0.37 1.01 0.08 0.37 0.00 0.00 0.00 179.97 181.05 1wok h GLN 705 N 0.03 0.00 0.00 0.04 4.15 -1.62 -1.72 115.11 115.99 1wok h GLN 705 Ca -0.11 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 1wok h GLN 705 Cb 1.89 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.57 1wok h GLN 705 CO 0.15 0.00 -0.29 0.82 -1.93 0.00 0.00 178.83 177.58 1wok h ILE 706 N 0.00 1.61 -0.04 2.39 1.08 -1.30 -3.22 117.51 118.03 1wok h ILE 706 Ca 0.05 -2.32 0.01 0.00 -0.39 0.00 0.00 64.86 62.21 1wok h ILE 706 Cb 0.20 3.15 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1wok h ILE 706 CO -0.00 0.55 0.20 1.56 -0.69 0.00 0.00 178.15 179.78 1wok h GLN 707 N -0.98 0.00 -0.06 2.37 4.20 -1.33 0.84 115.11 120.16 1wok h GLN 707 Ca -0.08 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1wok h GLN 707 Cb 1.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.88 1wok h GLN 707 CO -0.04 0.00 -0.58 0.00 -0.67 0.00 0.00 178.83 177.54 1wok h ALA 708 N 1.63 0.14 0.16 3.87 0.00 -1.40 -3.16 119.26 120.50 1wok h ALA 708 Ca 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1wok h ALA 708 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wok h ALA 708 CO -0.00 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.40 1wok h ALA 709 N 0.41 -0.45 -0.50 0.00 0.00 0.66 -3.05 119.26 116.33 1wok h ALA 709 Ca -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1wok h ALA 709 Cb 1.25 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.36 1wok h ALA 709 CO 0.12 -0.79 -0.42 1.88 0.00 0.00 0.00 179.25 180.03 1wok h TYR 710 N -0.47 -1.33 -1.22 0.00 0.05 -1.36 0.06 116.97 112.70 1wok h TYR 710 Ca 0.02 0.08 0.35 0.00 0.05 0.00 0.00 58.73 59.23 1wok h TYR 710 Cb 0.48 0.64 -0.07 0.00 1.01 0.00 0.00 36.73 38.79 1wok h TYR 710 CO -0.21 -0.32 0.84 0.77 -1.05 0.00 0.00 178.16 178.19 1wok h SER 711 N -0.16 0.15 -0.47 3.88 0.02 -1.48 0.92 113.55 116.41 1wok h SER 711 Ca 0.08 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1wok h SER 711 Cb 0.38 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1wok h SER 711 CO -0.55 0.00 -0.02 0.40 -1.14 0.00 0.00 176.83 175.52 1wok h ILE 712 N 0.12 1.26 -0.07 3.27 2.04 -0.89 -2.50 117.51 120.74 1wok h ILE 712 Ca 0.63 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1wok h ILE 712 Cb 2.20 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1wok h ILE 712 CO -0.13 0.38 0.04 -0.07 0.00 0.00 0.00 178.15 178.36 1wok h LEU 713 N 0.70 0.10 -1.70 1.44 3.38 0.11 -1.41 115.31 117.93 1wok h LEU 713 Ca 0.13 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1wok h LEU 713 Cb 0.54 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1wok h LEU 713 CO 0.03 0.19 0.43 0.28 0.09 0.00 0.00 178.44 179.46 1wok h SER 714 N -0.00 0.30 1.10 -0.43 0.02 -1.11 0.12 113.55 113.55 1wok h SER 714 Ca 0.03 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.81 1wok h SER 714 Cb 0.12 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1wok h SER 714 CO -0.00 0.17 -0.85 -0.33 -1.14 0.00 0.00 176.83 174.67 1wok h GLU 715 N 0.32 0.00 -0.05 3.45 5.08 -1.18 -2.91 114.58 119.29 1wok h GLU 715 Ca 0.30 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1wok h GLU 715 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1wok h GLU 715 CO -0.08 0.85 -0.60 0.28 -1.00 0.00 0.00 179.01 178.47 1wok h VAL 716 N 0.00 1.40 0.00 3.13 2.07 0.29 -3.07 116.25 120.06 1wok h VAL 716 Ca -0.01 -1.99 -0.17 0.00 0.82 0.00 0.00 66.70 65.35 1wok h VAL 716 Cb 1.63 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 33.40 1wok h VAL 716 CO 0.11 0.58 -1.17 -0.61 0.02 0.00 0.00 177.57 176.51 1wok h GLN 717 N 0.13 0.00 0.50 1.57 4.15 -1.19 -3.18 115.11 117.09 1wok h GLN 717 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1wok h GLN 717 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1wok h GLN 717 CO 0.09 0.44 -0.24 0.37 -1.93 0.00 0.00 178.83 177.56 1wok h GLN 718 N 0.00 -0.65 -0.17 1.69 5.75 -1.53 -2.34 115.11 117.86 1wok h GLN 718 Ca -0.12 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1wok h GLN 718 Cb 1.60 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 30.29 1wok h GLN 718 CO 0.06 -0.43 0.17 0.00 -2.65 0.00 0.00 178.83 175.98 1wok h ALA 719 N -1.46 1.87 -0.00 3.38 0.00 -1.72 -0.28 119.26 121.05 1wok h ALA 719 Ca -0.07 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1wok h ALA 719 Cb 0.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1wok h ALA 719 CO 0.11 -0.26 -0.83 -0.24 0.00 0.00 0.00 179.25 178.04 1wok h VAL 720 N 0.00 1.52 -0.23 0.00 3.04 -1.54 -2.62 116.25 116.41 1wok h VAL 720 Ca 0.08 -2.61 -0.01 0.00 -1.01 0.00 0.00 66.70 63.15 1wok h VAL 720 Cb 0.42 2.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1wok h VAL 720 CO -0.00 0.76 0.01 -0.24 -1.01 0.00 0.00 177.57 177.09 1wok n SER 721 N -3.65 2.88 -0.30 3.17 2.88 -0.13 -3.31 113.62 115.16 1wok n SER 721 Ca -0.02 -2.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1wok n SER 721 Cb 0.78 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1wok n SER 721 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wok n GLN 722 N 0.22 0.00 -3.48 -1.46 1.13 -1.12 -5.00 117.38 107.67 1wok n GLN 722 Ca 0.12 -0.69 -0.25 0.00 -1.94 0.00 0.00 57.00 54.23 1wok n GLN 722 Cb 0.64 -0.43 -0.05 0.00 0.11 0.00 0.00 30.24 30.51 1wok n GLN 722 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wok n GLY 723 N 0.00 -0.35 0.00 1.08 0.00 -1.16 -4.86 105.19 99.90 1wok n GLY 723 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1wok n GLY 723 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wok n SER 724 N -1.69 0.00 -4.97 1.61 3.41 -1.00 -4.99 113.62 105.98 1wok n SER 724 Ca 0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.49 1wok n SER 724 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1wok n SER 724 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wok s SER 725 N -2.10 5.37 0.00 4.04 0.01 -1.26 -5.03 113.70 114.73 1wok s SER 725 Ca 0.00 -0.60 0.22 0.00 1.31 0.00 0.00 55.95 56.88 1wok s SER 725 Cb 0.00 -0.48 -0.19 0.00 0.21 0.00 0.00 66.02 65.56 1wok s SER 725 CO 0.00 -0.81 0.81 0.47 0.41 0.00 0.00 173.24 174.12 1wok n ASP 726 N -1.80 0.59 -0.37 2.44 9.92 -1.26 -4.01 116.55 122.06 1wok n ASP 726 Ca 0.07 -0.48 0.06 0.00 -0.53 0.00 0.00 54.79 53.90 1wok n ASP 726 Cb 0.60 1.25 0.22 0.00 -0.64 0.00 0.00 41.12 42.55 1wok n ASP 726 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wok n SER 727 N -1.85 1.08 -0.11 -2.24 7.64 -1.26 -3.00 113.62 113.89 1wok n SER 727 Ca 0.01 -1.86 -0.21 0.00 1.01 0.00 0.00 58.87 57.83 1wok n SER 727 Cb 0.43 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 1wok n SER 727 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wok n GLN 728 N 0.03 0.55 -0.19 1.43 1.13 -1.26 -3.56 117.38 115.53 1wok n GLN 728 Ca 0.10 0.50 -0.09 0.00 -1.94 0.00 0.00 57.00 55.57 1wok n GLN 728 Cb 0.19 -1.68 0.04 0.00 0.11 0.00 0.00 30.24 28.90 1wok n GLN 728 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1wok h ILE 729 N -1.00 1.26 0.00 5.09 2.04 -1.78 0.18 117.51 123.30 1wok h ILE 729 Ca -0.36 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1wok h ILE 729 Cb 1.25 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1wok h ILE 729 CO -0.22 0.42 0.00 -0.11 0.00 0.00 0.00 178.15 178.25 1wok n LEU 730 N -4.17 0.00 -0.04 1.44 7.94 -1.16 0.01 117.00 121.02 1wok n LEU 730 Ca 0.02 0.93 -0.08 0.00 -1.11 0.00 0.00 56.01 55.77 1wok n LEU 730 Cb 0.36 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.87 1wok n LEU 730 CO 0.44 -0.43 0.71 -0.78 -1.11 0.00 0.00 177.39 176.23 1wok h ASP 731 N 0.00 -0.69 -0.94 1.96 -0.00 -1.61 -2.25 116.42 112.89 1wok h ASP 731 Ca 0.00 0.13 0.05 0.00 -0.00 0.00 0.00 57.03 57.21 1wok h ASP 731 Cb 0.00 0.33 -0.06 0.00 -0.00 0.00 0.00 39.33 39.60 1wok h ASP 731 CO 0.00 -0.26 0.61 -0.07 -0.00 0.00 0.00 179.24 179.52 1wok h LEU 732 N -0.23 0.98 0.04 2.28 3.38 -0.95 -1.71 115.31 119.09 1wok h LEU 732 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wok h LEU 732 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wok h LEU 732 CO -0.35 0.64 -0.02 -1.28 0.09 0.00 0.00 178.44 177.52 1wok h SER 733 N 1.12 -0.05 -0.17 -0.43 0.87 -0.03 -2.68 113.55 112.18 1wok h SER 733 Ca 0.39 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1wok h SER 733 Cb 0.12 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1wok h SER 733 CO -0.14 0.26 -0.13 0.78 -0.53 0.00 0.00 176.83 177.07 1wok h ASN 734 N -0.35 -0.42 -0.18 6.23 2.35 -1.21 -2.62 115.58 119.39 1wok h ASN 734 Ca -0.01 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1wok h ASN 734 Cb 0.32 0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 1wok h ASN 734 CO 0.01 -0.17 -0.40 0.03 -1.65 0.00 0.00 177.43 175.25 1wok h ARG 735 N -0.14 -0.35 -0.13 0.81 3.08 -1.28 -1.98 114.38 114.38 1wok h ARG 735 Ca 0.10 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1wok h ARG 735 Cb 0.29 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1wok h ARG 735 CO -0.25 -0.24 -0.26 0.35 -1.07 0.00 0.00 179.97 178.50 1wok h PHE 736 N -0.37 -0.80 -0.85 3.04 3.57 -1.37 0.23 116.94 120.40 1wok h PHE 736 Ca 0.03 0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.82 1wok h PHE 736 Cb 0.47 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1wok h PHE 736 CO -0.61 -0.25 0.77 1.88 -2.23 0.00 0.00 178.31 177.88 1wok h TYR 737 N -0.23 0.00 0.12 0.41 0.05 -1.39 0.19 116.97 116.12 1wok h TYR 737 Ca 0.03 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.60 1wok h TYR 737 Cb 0.30 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.05 1wok h TYR 737 CO -0.59 0.00 -1.00 1.15 -1.05 0.00 0.00 178.16 176.67 1wok h THR 738 N 0.00 1.33 -0.53 -2.88 2.02 -0.11 -3.03 112.91 109.71 1wok h THR 738 Ca 0.40 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1wok h THR 738 Cb 1.95 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 71.33 1wok h THR 738 CO -0.00 0.69 0.35 0.25 0.37 0.00 0.00 175.52 177.17 1wok h LEU 739 N -0.42 0.62 -7.66 2.58 7.12 0.13 -3.27 115.31 114.41 1wok h LEU 739 Ca -0.20 -0.02 -0.72 0.00 0.13 0.00 0.00 57.88 57.07 1wok h LEU 739 Cb 1.63 -0.15 -0.33 0.00 -0.53 0.00 0.00 40.66 41.28 1wok h LEU 739 CO 0.09 0.46 -0.26 -0.63 -0.13 0.00 0.00 178.44 177.97 1wok s ILE 740 N -6.12 4.19 -0.40 4.05 -1.09 0.47 -5.04 121.20 117.25 1wok s ILE 740 Ca -0.13 -2.75 -0.39 0.00 -2.23 0.00 0.00 60.65 55.16 1wok s ILE 740 Cb 0.12 -3.69 -0.14 0.00 -1.58 0.00 0.00 42.46 37.17 1wok s ILE 740 CO 0.75 -0.90 2.14 -2.65 -1.23 0.00 0.00 174.94 173.04 1wok n PRO 741 N 3.72 0.68 -4.53 2.79 -0.02 -1.15 -4.45 135.00 132.04 1wok n PRO 741 Ca 0.08 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 1wok n PRO 741 Cb 0.40 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 1wok n PRO 741 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1wok s HIS 742 N 6.58 2.99 -0.70 6.00 3.76 -1.19 -0.77 115.29 131.96 1wok s HIS 742 Ca 1.13 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.98 1wok s HIS 742 Cb -1.11 -1.80 0.17 0.00 1.11 0.00 0.00 32.58 30.96 1wok s HIS 742 CO 0.56 0.23 0.51 0.34 -0.85 0.00 0.00 174.74 175.54 1wok s ASP 743 N -0.45 5.13 0.00 1.40 2.15 -0.86 -4.72 116.67 119.32 1wok s ASP 743 Ca 0.07 -3.42 0.06 0.00 0.43 0.00 0.00 52.55 49.69 1wok s ASP 743 Cb -0.12 -1.76 0.35 0.00 -0.30 0.00 0.00 42.92 41.08 1wok s ASP 743 CO 0.02 -0.21 0.87 0.49 -0.17 0.00 0.00 175.17 176.17 1wok n PHE 744 N 2.65 0.00 0.00 -5.34 3.72 -1.26 -4.84 117.46 112.39 1wok n PHE 744 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1wok n PHE 744 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1wok n PHE 744 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wok n GLY 745 N 0.11 0.21 0.20 1.37 0.00 -1.26 -0.11 105.19 105.71 1wok n GLY 745 Ca 0.04 0.64 0.02 0.00 0.00 0.00 0.00 46.02 46.73 1wok n GLY 745 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wok n MET 746 N 0.00 0.07 -2.43 1.61 2.81 -1.26 -5.04 117.12 112.88 1wok n MET 746 Ca 0.00 -0.90 -0.26 0.00 -1.81 0.00 0.00 57.70 54.73 1wok n MET 746 Cb 0.00 -1.09 0.03 0.00 -0.71 0.00 0.00 33.22 31.45 1wok n MET 746 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1wok s LYS 747 N -0.47 2.82 -0.18 0.03 2.20 0.85 -5.08 119.74 119.91 1wok s LYS 747 Ca 0.06 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.43 1wok s LYS 747 Cb 0.04 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 1wok s LYS 747 CO 0.06 -0.73 0.22 0.21 -0.36 0.00 0.00 175.35 174.75 1wok s LYS 748 N -4.97 4.22 -0.70 4.03 2.36 -1.26 -4.80 119.74 118.61 1wok s LYS 748 Ca 0.54 -0.04 -0.38 0.00 -2.55 0.00 0.00 55.97 53.55 1wok s LYS 748 Cb -0.10 -3.42 -0.20 0.00 -1.05 0.00 0.00 37.83 33.06 1wok s LYS 748 CO 0.44 0.27 2.38 -2.30 1.55 0.00 0.00 175.35 177.69 1wok n PRO 749 N 3.52 0.06 -1.70 4.03 -0.02 -1.26 -4.78 135.00 134.85 1wok n PRO 749 Ca -0.14 0.01 -0.19 0.00 -2.02 0.00 0.00 63.50 61.17 1wok n PRO 749 Cb 0.52 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1wok n PRO 749 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wok s PRO 750 N 7.29 1.89 0.34 0.52 0.04 -1.26 -4.92 135.00 138.91 1wok s PRO 750 Ca 1.26 0.34 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1wok s PRO 750 Cb -1.35 -4.84 -0.14 0.00 0.04 0.00 0.00 34.50 28.21 1wok s PRO 750 CO 0.58 -4.08 0.58 -0.11 0.04 0.00 0.00 177.00 174.01 1wok n LEU 751 N 17.20 -0.26 -3.34 -3.56 7.94 -1.26 -4.84 117.00 128.88 1wok n LEU 751 Ca 0.44 1.00 -0.40 0.00 -1.11 0.00 0.00 56.01 55.94 1wok n LEU 751 Cb 0.45 -1.09 0.02 0.00 0.53 0.00 0.00 43.42 43.34 1wok n LEU 751 CO 0.57 -2.76 1.54 0.18 -1.11 0.00 0.00 177.39 175.81 1wok n LEU 752 N 1.54 7.44 -0.08 -1.96 4.77 -1.26 -4.57 117.00 122.88 1wok n LEU 752 Ca 0.13 -5.12 -0.22 0.00 -0.03 0.00 0.00 56.01 50.76 1wok n LEU 752 Cb 0.35 -1.15 -0.12 0.00 -2.33 0.00 0.00 43.42 40.16 1wok n LEU 752 CO 0.56 1.94 -1.04 -0.46 -1.33 0.00 0.00 177.39 177.06 1wok n ASN 753 N -0.07 2.01 0.00 -1.43 6.94 -1.26 -4.31 115.26 117.13 1wok n ASN 753 Ca 0.50 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 55.22 1wok n ASN 753 Cb 0.26 -0.73 0.00 0.00 -2.36 0.00 0.00 39.78 36.95 1wok n ASN 753 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1wok n ASN 754 N -3.71 0.00 -1.39 0.53 0.23 -1.26 -4.75 115.26 104.90 1wok n ASN 754 Ca -0.40 0.02 -0.08 0.00 -0.53 0.00 0.00 54.58 53.59 1wok n ASN 754 Cb 0.94 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.59 1wok n ASN 754 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wok n ALA 755 N -0.93 -0.22 0.00 -2.53 0.00 -1.26 -4.60 120.51 110.97 1wok n ALA 755 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1wok n ALA 755 Cb 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1wok n ALA 755 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wok n ASP 756 N -0.12 1.26 0.00 0.00 8.00 -1.26 -4.58 116.55 119.86 1wok n ASP 756 Ca -0.08 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.51 1wok n ASP 756 Cb 0.29 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.86 1wok n ASP 756 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wok n SER 757 N -2.84 0.00 0.14 -2.24 3.41 -1.26 -1.43 113.62 109.40 1wok n SER 757 Ca 0.00 -0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.42 1wok n SER 757 Cb 0.50 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1wok n SER 757 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1wok h VAL 758 N 0.00 0.88 -0.03 -3.33 -1.51 -1.91 -3.23 116.25 107.12 1wok h VAL 758 Ca 0.00 -2.17 -0.10 0.00 -1.23 0.00 0.00 66.70 63.20 1wok h VAL 758 Cb 0.09 2.39 0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1wok h VAL 758 CO 0.00 0.49 -0.37 -0.61 -1.23 0.00 0.00 177.57 175.85 1wok h GLN 759 N 0.00 0.31 -0.37 5.19 5.75 -1.52 -1.78 115.11 122.69 1wok h GLN 759 Ca -0.00 -0.29 0.11 0.00 -0.15 0.00 0.00 58.65 58.31 1wok h GLN 759 Cb 1.35 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 1wok h GLN 759 CO 0.06 0.96 0.43 0.00 -2.65 0.00 0.00 178.83 177.64 1wok h ALA 760 N 0.35 2.04 0.10 3.38 0.00 -1.64 0.38 119.26 123.87 1wok h ALA 760 Ca -0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1wok h ALA 760 Cb 1.07 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.90 1wok h ALA 760 CO 0.08 -0.62 -0.65 0.87 0.00 0.00 0.00 179.25 178.93 1wok h LYS 761 N 0.00 0.27 -0.93 0.00 1.79 -1.52 -2.72 116.57 113.47 1wok h LYS 761 Ca 0.17 -0.42 0.13 0.00 -2.18 0.00 0.00 60.65 58.36 1wok h LYS 761 Cb 1.03 0.15 -0.09 0.00 -1.58 0.00 0.00 32.23 31.74 1wok h LYS 761 CO -0.00 1.18 0.55 0.28 -1.08 0.00 0.00 179.45 180.37 1wok h VAL 762 N -0.43 0.83 0.00 0.50 2.07 0.53 -2.33 116.25 117.41 1wok h VAL 762 Ca -0.11 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1wok h VAL 762 Cb 1.48 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1wok h VAL 762 CO 0.12 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 1wok n GLU 763 N -4.73 0.00 -0.30 1.57 -0.58 0.14 -2.42 120.64 114.32 1wok n GLU 763 Ca 0.18 0.56 -0.04 0.00 -0.42 0.00 0.00 57.16 57.44 1wok n GLU 763 Cb 0.39 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1wok n GLU 763 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1wok n MET 764 N -2.04 -0.23 -0.01 3.49 1.56 -0.98 0.39 117.12 119.29 1wok n MET 764 Ca 0.00 1.13 -0.10 0.00 -0.27 0.00 0.00 57.70 58.46 1wok n MET 764 Cb 0.00 -1.67 -0.03 0.00 2.15 0.00 0.00 33.22 33.66 1wok n MET 764 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1wok h LEU 765 N 0.00 -0.94 -0.94 -0.89 3.38 -1.44 0.23 115.31 114.72 1wok h LEU 765 Ca 0.20 0.14 0.21 0.00 0.09 0.00 0.00 57.88 58.53 1wok h LEU 765 Cb 0.39 0.41 -0.18 0.00 0.09 0.00 0.00 40.66 41.37 1wok h LEU 765 CO -0.72 -0.34 -0.12 0.44 0.09 0.00 0.00 178.44 177.79 1wok h ASP 766 N -0.35 -0.69 0.07 -0.43 3.32 0.29 0.17 116.42 118.79 1wok h ASP 766 Ca 0.11 0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1wok h ASP 766 Cb 0.52 0.53 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1wok h ASP 766 CO -0.36 -0.31 -0.03 -1.13 -1.72 0.00 0.00 179.24 175.68 1wok h ASN 767 N 0.01 -0.08 -0.86 6.45 -0.73 -0.29 -2.92 115.58 117.17 1wok h ASN 767 Ca 0.50 0.00 0.30 0.00 1.87 0.00 0.00 56.30 58.97 1wok h ASN 767 Cb 0.87 0.02 -0.09 0.00 0.27 0.00 0.00 38.32 39.39 1wok h ASN 767 CO -0.92 -0.06 0.55 0.18 -0.37 0.00 0.00 177.43 176.81 1wok n LEU 768 N -2.28 0.14 -0.05 0.34 4.77 0.60 0.13 117.00 120.66 1wok n LEU 768 Ca -0.01 0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 56.78 1wok n LEU 768 Cb 0.04 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1wok n LEU 768 CO 0.03 -0.97 0.78 -0.07 -1.33 0.00 0.00 177.39 175.83 1wok h LEU 769 N 0.00 -0.38 -0.04 2.23 -0.00 -0.56 -0.60 115.31 115.97 1wok h LEU 769 Ca 0.56 0.09 -0.26 0.00 -0.00 0.00 0.00 57.88 58.27 1wok h LEU 769 Cb 1.77 0.21 0.02 0.00 -0.00 0.00 0.00 40.66 42.66 1wok h LEU 769 CO -0.31 -0.15 -1.03 0.44 -0.00 0.00 0.00 178.44 177.39 1wok h ASP 770 N -0.09 0.81 -0.39 -0.43 3.32 -0.41 -2.96 116.42 116.26 1wok h ASP 770 Ca 0.12 -0.65 0.08 0.00 0.02 0.00 0.00 57.03 56.59 1wok h ASP 770 Cb 0.27 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.48 1wok h ASP 770 CO -0.28 1.45 -0.36 0.40 -1.72 0.00 0.00 179.24 178.73 1wok h ILE 771 N 0.34 0.19 -0.98 0.35 1.08 -1.36 0.25 117.51 117.39 1wok h ILE 771 Ca -0.12 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.57 1wok h ILE 771 Cb 1.68 0.19 -0.09 0.00 -3.07 0.00 0.00 36.82 35.53 1wok h ILE 771 CO 0.20 0.00 0.63 -0.08 -0.69 0.00 0.00 178.15 178.20 1wok h GLU 772 N -0.28 0.49 0.10 2.37 4.22 -1.10 -1.78 114.58 118.59 1wok h GLU 772 Ca 0.16 -0.03 -0.28 0.00 0.08 0.00 0.00 59.36 59.29 1wok h GLU 772 Cb 0.56 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wok h GLU 772 CO -0.55 0.32 -1.19 0.28 -2.18 0.00 0.00 179.01 175.70 1wok h VAL 773 N 0.51 1.37 -0.37 0.32 2.07 -0.43 -3.00 116.25 116.71 1wok h VAL 773 Ca 0.54 -2.63 0.02 0.00 0.82 0.00 0.00 66.70 65.46 1wok h VAL 773 Cb 1.20 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.65 1wok h VAL 773 CO -0.27 0.79 0.20 0.00 0.02 0.00 0.00 177.57 178.31 1wok h ALA 774 N 0.47 0.46 0.49 1.67 0.00 -0.13 -1.21 119.26 121.01 1wok h ALA 774 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1wok h ALA 774 Cb 1.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1wok h ALA 774 CO 0.21 -0.16 -0.27 -0.92 0.00 0.00 0.00 179.25 178.12 1wok h TYR 775 N 0.41 -0.71 -0.42 0.00 3.20 -1.50 0.42 116.97 118.37 1wok h TYR 775 Ca 0.15 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.09 1wok h TYR 775 Cb 0.04 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.46 1wok h TYR 775 CO -0.09 -0.41 -0.36 0.66 -1.64 0.00 0.00 178.16 176.32 1wok h SER 776 N -0.70 -1.20 -0.86 -2.11 4.64 -1.51 0.46 113.55 112.28 1wok h SER 776 Ca -0.07 0.20 0.12 0.00 -0.47 0.00 0.00 61.79 61.58 1wok h SER 776 Cb 0.55 0.55 -0.08 0.00 -0.31 0.00 0.00 62.40 63.11 1wok h SER 776 CO 0.09 -0.34 0.48 0.25 -0.87 0.00 0.00 176.83 176.44 1wok h LEU 777 N -0.27 0.64 0.31 5.97 7.12 -1.19 -2.64 115.31 125.26 1wok h LEU 777 Ca 0.17 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.23 1wok h LEU 777 Cb 0.56 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1wok h LEU 777 CO -0.56 0.33 -0.19 0.25 -0.13 0.00 0.00 178.44 178.14 1wok h LEU 778 N 0.74 -0.47 -7.53 2.25 5.85 0.38 -3.35 115.31 113.18 1wok h LEU 778 Ca 0.44 0.03 -0.42 0.00 0.84 0.00 0.00 57.88 58.76 1wok h LEU 778 Cb 0.51 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1wok h LEU 778 CO -0.30 -0.29 1.41 -2.11 -0.34 0.00 0.00 178.44 176.81 1wok n ARG 779 N -3.42 1.51 0.00 1.25 1.85 0.12 -3.76 116.66 114.21 1wok n ARG 779 Ca -0.06 -2.25 0.00 0.00 -1.00 0.00 0.00 57.85 54.54 1wok n ARG 779 Cb 0.19 -3.48 0.00 0.00 -1.05 0.00 0.00 32.46 28.13 1wok n ARG 779 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wok n GLY 780 N 5.41 0.46 1.97 2.89 0.00 -1.25 -4.86 105.19 109.81 1wok n GLY 780 Ca 0.46 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.50 1wok n GLY 780 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wok n GLY 781 N 0.00 1.64 0.10 -0.02 0.00 -1.25 -4.82 105.19 100.84 1wok n GLY 781 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 45.05 1wok n GLY 781 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wok n SER 782 N -0.02 0.29 0.00 1.61 3.41 -1.26 -4.62 113.62 113.03 1wok n SER 782 Ca 0.08 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1wok n SER 782 Cb 0.99 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1wok n SER 782 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wok n ASP 783 N -0.43 0.00 -4.39 4.04 5.75 -1.26 -4.95 116.55 115.32 1wok n ASP 783 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.50 1wok n ASP 783 Cb 0.07 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.25 1wok n ASP 783 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wok n ASP 784 N 0.00 -2.26 -3.39 -1.12 2.03 -1.26 -4.99 116.55 105.56 1wok n ASP 784 Ca 0.00 0.39 -0.27 0.00 0.52 0.00 0.00 54.79 55.43 1wok n ASP 784 Cb 0.00 -1.16 -0.10 0.00 -0.72 0.00 0.00 41.12 39.14 1wok n ASP 784 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wok s SER 785 N -1.76 1.46 0.11 1.67 0.01 -1.26 -4.92 113.70 109.02 1wok s SER 785 Ca 0.57 -2.98 0.17 0.00 1.31 0.00 0.00 55.95 55.02 1wok s SER 785 Cb -0.25 -0.39 -0.09 0.00 0.21 0.00 0.00 66.02 65.50 1wok s SER 785 CO 0.66 -0.18 0.96 0.28 0.41 0.00 0.00 173.24 175.38 1wok h SER 786 N 5.73 0.00 -5.36 2.44 0.02 -2.00 -3.48 113.55 110.90 1wok h SER 786 Ca 0.25 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 1wok h SER 786 Cb 0.92 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 1wok h SER 786 CO 0.36 0.53 -0.07 -0.75 -1.14 0.00 0.00 176.83 175.76 1wok s LYS 787 N -2.95 1.92 0.72 3.45 2.47 -1.26 -4.92 119.74 119.16 1wok s LYS 787 Ca -0.01 -1.59 -0.17 0.00 -1.56 0.00 0.00 55.97 52.64 1wok s LYS 787 Cb 0.08 0.49 -0.07 0.00 -1.46 0.00 0.00 37.83 36.87 1wok s LYS 787 CO 0.80 -0.82 0.25 -3.47 0.16 0.00 0.00 175.35 172.27 1wok n ASP 788 N -1.22 -2.24 -0.29 1.43 -0.08 0.15 -4.71 116.55 109.59 1wok n ASP 788 Ca -0.02 0.55 0.11 0.00 -1.51 0.00 0.00 54.79 53.92 1wok n ASP 788 Cb 0.61 -1.10 0.26 0.00 2.34 0.00 0.00 41.12 43.23 1wok n ASP 788 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1wok h PRO 789 N -0.41 0.20 0.00 -0.67 0.11 -2.01 -2.70 132.00 126.53 1wok h PRO 789 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wok h PRO 789 Cb 1.36 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1wok h PRO 789 CO 0.40 0.13 0.00 -0.89 -0.21 0.00 0.00 178.00 177.43 1wok n ILE 790 N -5.23 0.00 -0.48 4.15 5.41 -1.26 -1.26 119.36 120.68 1wok n ILE 790 Ca 0.19 1.21 0.42 0.00 1.00 0.00 0.00 62.75 65.58 1wok n ILE 790 Cb 0.62 -1.75 0.69 0.00 -0.71 0.00 0.00 39.64 38.50 1wok n ILE 790 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1wok h ASP 791 N 0.00 0.00 -0.02 4.38 3.32 -1.80 1.06 116.42 123.37 1wok h ASP 791 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1wok h ASP 791 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wok h ASP 791 CO 0.00 0.00 -0.09 0.58 -1.72 0.00 0.00 179.24 178.01 1wok h VAL 792 N 0.00 1.51 0.00 -1.35 2.07 -1.14 -2.78 116.25 114.56 1wok h VAL 792 Ca 0.73 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1wok h VAL 792 Cb 3.26 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 35.58 1wok h VAL 792 CO -0.01 0.44 0.00 0.59 0.02 0.00 0.00 177.57 178.61 1wok n ASN 793 N -4.67 0.64 0.11 0.57 3.02 0.35 -2.27 115.26 113.01 1wok n ASN 793 Ca -0.09 0.69 -0.20 0.00 -0.03 0.00 0.00 54.58 54.95 1wok n ASN 793 Cb 0.38 -0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 38.61 1wok n ASN 793 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1wok h TYR 794 N 0.00 0.79 0.00 3.10 3.20 -0.80 -3.15 116.97 120.12 1wok h TYR 794 Ca 0.00 -0.54 0.00 0.00 3.14 0.00 0.00 58.73 61.33 1wok h TYR 794 Cb 0.26 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1wok h TYR 794 CO 0.00 1.40 0.00 -0.85 -1.64 0.00 0.00 178.16 177.07 1wok n GLU 795 N -3.68 0.80 0.01 1.82 -0.00 -0.96 -3.02 120.64 115.61 1wok n GLU 795 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.05 1wok n GLU 795 Cb 1.02 -1.45 -0.10 0.00 -0.00 0.00 0.00 31.44 30.91 1wok n GLU 795 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1wok n LYS 796 N -0.95 0.64 0.00 3.44 5.02 -1.19 -3.97 118.16 121.15 1wok n LYS 796 Ca 0.17 0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.66 1wok n LYS 796 Cb 0.08 -1.72 0.48 0.00 -0.02 0.00 0.00 35.03 33.84 1wok n LYS 796 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wok n LEU 797 N -2.75 0.00 -3.32 -0.35 4.77 -1.17 -4.87 117.00 109.31 1wok n LEU 797 Ca -0.11 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.65 1wok n LEU 797 Cb 0.81 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 1wok n LEU 797 CO 0.43 0.00 -0.08 0.29 -1.33 0.00 0.00 177.39 176.70 1wok n LYS 798 N -0.78 -1.59 -4.12 3.23 4.76 -1.25 -4.16 118.16 114.24 1wok n LYS 798 Ca 0.12 0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.49 1wok n LYS 798 Cb 0.06 -4.00 -0.11 0.00 -1.84 0.00 0.00 35.03 29.14 1wok n LYS 798 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1wok s THR 799 N -2.43 0.77 -0.53 -0.18 -1.32 -1.26 -1.41 115.64 109.29 1wok s THR 799 Ca 0.42 -1.36 -0.16 0.00 -1.21 0.00 0.00 61.69 59.37 1wok s THR 799 Cb -0.24 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.85 1wok s THR 799 CO 0.51 -0.45 0.51 -1.81 -2.21 0.00 0.00 174.62 171.17 1wok s ASP 800 N -1.99 6.18 -0.82 8.08 -0.00 -1.00 -4.90 116.67 122.22 1wok s ASP 800 Ca -0.02 -1.57 -0.16 0.00 -0.00 0.00 0.00 52.55 50.80 1wok s ASP 800 Cb -0.07 -2.22 0.18 0.00 -0.00 0.00 0.00 42.92 40.81 1wok s ASP 800 CO 0.00 -0.84 0.86 -0.63 -0.00 0.00 0.00 175.17 174.56 1wok s ILE 801 N 1.83 5.23 -0.40 0.77 -1.09 -1.26 -1.93 121.20 124.35 1wok s ILE 801 Ca 0.05 -1.99 -0.09 0.00 -2.23 0.00 0.00 60.65 56.39 1wok s ILE 801 Cb -0.27 -4.56 0.07 0.00 -1.58 0.00 0.00 42.46 36.11 1wok s ILE 801 CO 0.05 -1.19 0.22 -0.54 -1.23 0.00 0.00 174.94 172.26 1wok s LYS 802 N 1.29 2.62 0.65 2.79 3.01 -1.18 -4.94 119.74 123.97 1wok s LYS 802 Ca 0.21 -1.37 -0.17 0.00 -1.01 0.00 0.00 55.97 53.64 1wok s LYS 802 Cb -0.11 -3.71 -0.15 0.00 -1.01 0.00 0.00 37.83 32.86 1wok s LYS 802 CO -0.07 -0.87 -0.34 0.28 0.51 0.00 0.00 175.35 174.86 1wok n VAL 803 N 4.90 0.00 -4.50 3.17 0.31 -1.26 -2.39 118.33 118.55 1wok n VAL 803 Ca -0.10 -0.48 -0.33 0.00 -0.01 0.00 0.00 64.34 63.41 1wok n VAL 803 Cb 0.44 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.24 1wok n VAL 803 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wok s VAL 804 N -1.93 3.67 -0.56 2.52 1.01 -0.86 -4.70 120.40 119.55 1wok s VAL 804 Ca 0.50 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1wok s VAL 804 Cb -0.38 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1wok s VAL 804 CO 0.69 0.50 2.45 -0.67 0.00 0.00 0.00 175.10 178.08 1wok n ASP 805 N 3.52 2.02 -0.53 3.32 2.03 -1.26 -4.70 116.55 120.94 1wok n ASP 805 Ca -0.18 -0.35 0.41 0.00 0.52 0.00 0.00 54.79 55.19 1wok n ASP 805 Cb 0.53 -1.47 0.63 0.00 -0.72 0.00 0.00 41.12 40.09 1wok n ASP 805 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1wok n ARG 806 N 8.90 -0.01 -3.70 -0.67 0.63 -1.26 -2.82 116.66 117.73 1wok n ARG 806 Ca 0.42 0.89 -0.34 0.00 -0.92 0.00 0.00 57.85 57.89 1wok n ARG 806 Cb 0.45 -1.98 -0.08 0.00 0.45 0.00 0.00 32.46 31.30 1wok n ARG 806 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1wok n ASP 807 N -3.67 3.91 -2.62 6.15 8.00 -1.26 -4.69 116.55 122.38 1wok n ASP 807 Ca 0.35 -3.17 -0.08 0.00 0.71 0.00 0.00 54.79 52.61 1wok n ASP 807 Cb 1.54 -0.97 0.03 0.00 -0.02 0.00 0.00 41.12 41.70 1wok n ASP 807 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wok n SER 808 N 2.16 -2.02 0.00 -2.24 3.41 -1.13 -5.04 113.62 108.76 1wok n SER 808 Ca 0.22 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1wok n SER 808 Cb 0.36 3.36 0.00 0.00 -0.26 0.00 0.00 64.21 67.68 1wok n SER 808 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wok n GLU 809 N -0.49 0.00 -0.22 4.33 -0.58 -1.26 -1.37 120.64 121.06 1wok n GLU 809 Ca -0.08 0.66 -0.06 0.00 -0.42 0.00 0.00 57.16 57.27 1wok n GLU 809 Cb 0.53 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.85 1wok n GLU 809 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wok n GLU 810 N -2.32 -0.23 -0.12 3.49 1.02 -1.26 0.11 120.64 121.33 1wok n GLU 810 Ca 0.00 0.84 -0.05 0.00 -0.02 0.00 0.00 57.16 57.94 1wok n GLU 810 Cb 0.00 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1wok n GLU 810 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wok h ALA 811 N 0.19 0.36 0.18 0.62 0.00 -1.78 1.29 119.26 120.12 1wok h ALA 811 Ca 0.08 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1wok h ALA 811 Cb 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1wok h ALA 811 CO -0.48 -0.39 -0.26 0.93 0.00 0.00 0.00 179.25 179.04 1wok h GLU 812 N 0.10 -0.49 0.15 0.00 5.08 0.20 1.13 114.58 120.76 1wok h GLU 812 Ca 0.20 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1wok h GLU 812 Cb 0.28 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1wok h GLU 812 CO -0.33 -0.32 -0.13 0.82 -1.00 0.00 0.00 179.01 178.05 1wok h ILE 813 N -0.50 0.00 -0.76 3.13 5.03 0.74 0.21 117.51 125.36 1wok h ILE 813 Ca 0.01 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.91 1wok h ILE 813 Cb 0.50 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.15 1wok h ILE 813 CO -0.11 0.00 -0.19 0.40 -0.68 0.00 0.00 178.15 177.57 1wok h ILE 814 N -0.27 0.24 -0.53 -0.67 1.08 0.17 0.78 117.51 118.32 1wok h ILE 814 Ca -0.02 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.37 1wok h ILE 814 Cb 0.23 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 1wok h ILE 814 CO -0.00 0.00 0.01 -0.09 -0.69 0.00 0.00 178.15 177.38 1wok h ARG 815 N -0.00 0.88 -0.22 2.37 2.43 0.15 -1.85 114.38 118.13 1wok h ARG 815 Ca 0.36 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1wok h ARG 815 Cb 0.55 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1wok h ARG 815 CO -0.78 0.87 -0.27 0.87 -1.51 0.00 0.00 179.97 179.15 1wok h LYS 816 N 0.82 0.43 0.21 0.20 1.79 0.15 -2.55 116.57 117.62 1wok h LYS 816 Ca 0.16 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1wok h LYS 816 Cb 0.47 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1wok h LYS 816 CO 0.02 0.66 -0.11 -0.92 -1.08 0.00 0.00 179.45 178.02 1wok h TYR 817 N 0.38 -0.29 -0.30 -1.35 5.03 -0.44 -0.63 116.97 119.37 1wok h TYR 817 Ca 0.05 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.43 1wok h TYR 817 Cb 0.67 0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.97 1wok h TYR 817 CO 0.02 -0.18 -0.26 0.28 -1.32 0.00 0.00 178.16 176.70 1wok h VAL 818 N -0.30 0.35 -0.54 1.81 2.07 -1.14 -2.66 116.25 115.85 1wok h VAL 818 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1wok h VAL 818 Cb 0.24 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1wok h VAL 818 CO 0.04 0.00 0.18 0.50 0.02 0.00 0.00 177.57 178.31 1wok h LYS 819 N -0.24 0.83 -0.34 1.57 3.64 -1.31 -3.32 116.57 117.41 1wok h LYS 819 Ca 0.15 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1wok h LYS 819 Cb 0.48 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1wok h LYS 819 CO -0.44 0.75 -0.22 -0.91 -2.27 0.00 0.00 179.45 176.37 1wok h ASN 820 N 0.74 0.77 -0.61 4.20 2.35 -0.96 -3.25 115.58 118.82 1wok h ASN 820 Ca 0.18 -0.43 -0.36 0.00 -0.55 0.00 0.00 56.30 55.14 1wok h ASN 820 Cb 0.26 -0.21 -0.18 0.00 0.05 0.00 0.00 38.32 38.23 1wok h ASN 820 CO -0.01 1.03 0.46 0.35 -1.65 0.00 0.00 177.43 177.62 1wok n THR 821 N -4.28 2.63 -3.25 2.81 -2.24 -1.02 -3.75 114.28 105.18 1wok n THR 821 Ca -0.03 -1.52 -0.41 0.00 -2.27 0.00 0.00 64.05 59.82 1wok n THR 821 Cb 0.43 -0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 1wok n THR 821 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1wok s HIS 822 N -2.16 3.20 0.22 4.78 5.04 -1.23 -0.32 115.29 124.82 1wok s HIS 822 Ca 0.37 0.27 -0.26 0.00 -1.54 0.00 0.00 55.06 53.90 1wok s HIS 822 Cb 0.30 -2.86 -0.09 0.00 0.04 0.00 0.00 32.58 29.97 1wok s HIS 822 CO 0.04 -0.47 0.85 0.00 -2.34 0.00 0.00 174.74 172.81 1wok s ALA 823 N 2.36 3.37 0.08 1.58 0.00 -1.26 -4.93 121.76 122.96 1wok s ALA 823 Ca 0.19 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1wok s ALA 823 Cb -0.15 -3.05 -0.17 0.00 0.00 0.00 0.00 23.12 19.75 1wok s ALA 823 CO 0.12 0.25 1.66 1.79 0.00 0.00 0.00 175.76 179.59 1wok h THR 824 N 3.08 0.53 0.00 0.00 1.35 -1.99 -1.90 112.91 113.98 1wok h THR 824 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1wok h THR 824 Cb 1.20 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1wok h THR 824 CO 0.66 0.00 0.04 0.35 -0.25 0.00 0.00 175.52 176.32 1wok n THR 825 N -5.36 1.67 -1.86 6.82 -2.24 -1.26 -1.94 114.28 110.10 1wok n THR 825 Ca -0.11 0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 61.76 1wok n THR 825 Cb 0.26 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 1wok n THR 825 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wok n HIS 826 N -1.41 2.45 -3.75 4.78 -0.00 -0.72 -4.93 115.22 111.64 1wok n HIS 826 Ca 0.00 -2.26 -0.36 0.00 -0.00 0.00 0.00 57.72 55.10 1wok n HIS 826 Cb 0.04 -1.31 -0.09 0.00 -0.00 0.00 0.00 29.99 28.62 1wok n HIS 826 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1wok s ASN 827 N -0.50 6.00 0.00 0.41 2.20 -0.82 -4.46 114.94 117.78 1wok s ASN 827 Ca 0.53 0.12 0.00 0.00 -0.94 0.00 0.00 52.86 52.57 1wok s ASN 827 Cb 0.37 -2.07 0.00 0.00 -2.00 0.00 0.00 41.25 37.55 1wok s ASN 827 CO -0.29 0.11 0.00 0.00 -2.94 0.00 0.00 177.10 173.98 1wok n ALA 828 N 3.99 0.00 -3.23 3.54 0.00 -1.26 -5.05 120.51 118.50 1wok n ALA 828 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1wok n ALA 828 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1wok n ALA 828 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1wok s TYR 829 N 0.00 -0.29 0.04 0.00 -0.85 -1.26 -1.84 117.35 113.16 1wok s TYR 829 Ca 0.00 0.63 0.01 0.00 -0.52 0.00 0.00 57.07 57.19 1wok s TYR 829 Cb 0.00 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 1wok s TYR 829 CO 0.00 -0.26 0.09 0.34 -1.52 0.00 0.00 175.55 174.20 1wok s ASP 830 N -0.45 5.66 -0.00 -0.18 2.15 0.16 -4.83 116.67 119.18 1wok s ASP 830 Ca -0.06 0.08 0.06 0.00 0.43 0.00 0.00 52.55 53.06 1wok s ASP 830 Cb -0.04 -1.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 1wok s ASP 830 CO 0.02 0.21 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.30 1wok s LEU 831 N -2.13 2.59 -0.16 -1.34 1.02 -1.26 -0.50 118.68 116.90 1wok s LEU 831 Ca 0.27 -0.34 -0.05 0.00 0.02 0.00 0.00 54.13 54.03 1wok s LEU 831 Cb -0.12 -1.52 0.08 0.00 0.02 0.00 0.00 46.19 44.65 1wok s LEU 831 CO 0.19 0.30 0.28 -0.70 0.02 0.00 0.00 176.35 176.44 1wok s GLU 832 N -1.07 0.19 0.19 1.70 -6.30 -1.15 -5.00 118.70 107.25 1wok s GLU 832 Ca 0.13 0.65 -0.32 0.00 -2.50 0.00 0.00 54.97 52.93 1wok s GLU 832 Cb -0.10 -0.27 -0.11 0.00 0.00 0.00 0.00 34.13 33.64 1wok s GLU 832 CO 0.03 -0.39 1.71 0.08 0.02 0.00 0.00 175.26 176.71 1wok s VAL 833 N 2.43 2.16 -0.20 3.70 1.01 -1.26 -2.56 120.40 125.69 1wok s VAL 833 Ca 0.03 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1wok s VAL 833 Cb -0.13 -3.05 -0.20 0.00 0.00 0.00 0.00 36.38 33.00 1wok s VAL 833 CO -0.10 0.01 -0.04 -0.38 0.00 0.00 0.00 175.10 174.58 1wok n ILE 834 N 4.07 1.28 -3.64 2.22 2.08 0.06 -4.96 119.36 120.48 1wok n ILE 834 Ca 0.16 -0.67 -0.07 0.00 0.56 0.00 0.00 62.75 62.73 1wok n ILE 834 Cb 0.36 -0.84 -0.07 0.00 -0.75 0.00 0.00 39.64 38.34 1wok n ILE 834 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1wok s ASP 835 N -5.64 -0.33 -0.07 4.38 1.11 -1.21 -4.99 116.67 109.91 1wok s ASP 835 Ca -0.18 0.63 0.01 0.00 0.18 0.00 0.00 52.55 53.18 1wok s ASP 835 Cb 0.06 0.63 -0.03 0.00 1.07 0.00 0.00 42.92 44.65 1wok s ASP 835 CO 0.66 -0.12 -0.07 -0.63 1.18 0.00 0.00 175.17 176.19 1wok s ILE 836 N 0.08 3.69 -0.09 0.77 1.01 -1.26 -1.32 121.20 124.08 1wok s ILE 836 Ca 0.04 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1wok s ILE 836 Cb -0.05 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.92 1wok s ILE 836 CO -0.08 0.59 -0.17 -0.36 0.00 0.00 0.00 174.94 174.92 1wok s PHE 837 N -0.71 1.96 -1.10 3.97 0.08 0.11 -2.04 117.98 120.26 1wok s PHE 837 Ca 0.11 -0.80 -0.14 0.00 0.12 0.00 0.00 56.93 56.21 1wok s PHE 837 Cb -0.11 -1.37 0.19 0.00 -0.57 0.00 0.00 43.02 41.15 1wok s PHE 837 CO 0.02 -0.37 1.25 0.21 -0.10 0.00 0.00 175.22 176.22 1wok s LYS 838 N 0.62 3.97 0.60 0.44 2.20 -1.01 -0.14 119.74 126.43 1wok s LYS 838 Ca -0.14 -2.52 -0.15 0.00 -0.36 0.00 0.00 55.97 52.80 1wok s LYS 838 Cb -0.16 -4.88 -0.03 0.00 -1.51 0.00 0.00 37.83 31.25 1wok s LYS 838 CO 0.04 -1.62 1.05 0.96 -0.36 0.00 0.00 175.35 175.42 1wok s ILE 839 N 1.13 3.98 -0.40 5.43 -4.36 -1.14 -3.13 121.20 122.72 1wok s ILE 839 Ca 0.36 0.87 0.04 0.00 -0.26 0.00 0.00 60.65 61.66 1wok s ILE 839 Cb -0.05 -3.45 0.16 0.00 1.25 0.00 0.00 42.46 40.37 1wok s ILE 839 CO -0.04 -0.62 0.44 -0.70 0.24 0.00 0.00 174.94 174.25 1wok s GLU 840 N -4.31 0.74 0.23 0.37 2.12 -0.81 -4.55 118.70 112.49 1wok s GLU 840 Ca 0.61 -0.98 -0.31 0.00 0.36 0.00 0.00 54.97 54.65 1wok s GLU 840 Cb -0.15 -0.65 -0.12 0.00 0.26 0.00 0.00 34.13 33.48 1wok s GLU 840 CO 0.40 -1.23 1.70 0.54 -0.54 0.00 0.00 175.26 176.13 1wok n ARG 841 N 3.95 2.77 -1.64 4.30 1.74 -1.26 -2.38 116.66 124.14 1wok n ARG 841 Ca 0.14 1.00 -0.45 0.00 -0.77 0.00 0.00 57.85 57.77 1wok n ARG 841 Cb 0.48 -2.83 -0.04 0.00 -1.02 0.00 0.00 32.46 29.05 1wok n ARG 841 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1wok n GLU 842 N 3.50 2.34 0.00 5.56 2.13 -0.50 -2.03 120.64 131.64 1wok n GLU 842 Ca 0.14 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1wok n GLU 842 Cb 0.35 -2.89 0.00 0.00 0.27 0.00 0.00 31.44 29.17 1wok n GLU 842 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wok n GLY 843 N 4.87 2.93 0.36 8.31 0.00 -1.26 -4.86 105.19 115.54 1wok n GLY 843 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1wok n GLY 843 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wok h GLU 844 N 1.80 0.76 -0.80 1.61 4.81 -1.79 0.79 114.58 121.76 1wok h GLU 844 Ca 0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1wok h GLU 844 Cb 0.00 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 1wok h GLU 844 CO 0.00 0.50 0.52 0.00 -0.73 0.00 0.00 179.01 179.31 1wok h GLN 846 N 0.88 0.74 0.00 0.00 1.08 0.23 -2.81 115.11 115.24 1wok h GLN 846 Ca 0.34 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1wok h GLN 846 Cb 0.21 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1wok h GLN 846 CO -0.12 0.68 -0.33 0.07 -0.95 0.00 0.00 178.83 178.18 1wok h ARG 847 N 0.65 0.00 0.00 1.46 0.11 -1.35 -3.23 114.38 112.02 1wok h ARG 847 Ca 0.16 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.16 1wok h ARG 847 Cb 0.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1wok h ARG 847 CO -0.01 0.00 -0.36 -0.92 0.10 0.00 0.00 179.97 178.78 1wok h TYR 848 N 0.00 0.00 -0.82 4.08 3.20 -1.44 -3.37 116.97 118.62 1wok h TYR 848 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1wok h TYR 848 Cb 0.99 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.16 1wok h TYR 848 CO 0.00 0.36 -0.47 1.17 -1.64 0.00 0.00 178.16 177.58 1wok n LYS 849 N -3.30 -0.35 -0.02 1.82 3.00 -1.06 -2.05 118.16 116.19 1wok n LYS 849 Ca 0.01 1.25 -0.12 0.00 -0.00 0.00 0.00 58.31 59.45 1wok n LYS 849 Cb 0.60 -1.83 -0.08 0.00 0.00 0.00 0.00 35.03 33.72 1wok n LYS 849 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1wok h PRO 850 N 0.00 -0.41 0.00 1.64 0.11 -1.83 -2.51 132.00 129.00 1wok h PRO 850 Ca 0.14 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1wok h PRO 850 Cb 0.35 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1wok h PRO 850 CO -0.78 -0.27 0.11 1.19 -0.21 0.00 0.00 178.00 178.04 1wok n PHE 851 N -4.76 0.00 0.92 0.65 3.72 -0.87 -1.71 117.46 115.42 1wok n PHE 851 Ca -0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.49 1wok n PHE 851 Cb 0.29 -0.19 0.58 0.00 -0.94 0.00 0.00 39.48 39.22 1wok n PHE 851 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1wok n LYS 852 N -1.11 0.05 0.00 -1.08 4.81 -0.94 -2.16 118.16 117.73 1wok n LYS 852 Ca 0.00 0.04 0.15 0.00 -0.87 0.00 0.00 58.31 57.63 1wok n LYS 852 Cb 0.11 -1.56 0.65 0.00 0.02 0.00 0.00 35.03 34.25 1wok n LYS 852 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1wok n GLN 853 N -1.65 1.30 -3.33 1.64 1.13 -0.69 -4.77 117.38 111.00 1wok n GLN 853 Ca 0.07 -0.57 -0.38 0.00 -1.94 0.00 0.00 57.00 54.18 1wok n GLN 853 Cb 0.36 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 1wok n GLN 853 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1wok s LEU 854 N -2.09 4.32 0.93 1.08 0.20 -0.92 -5.07 118.68 117.13 1wok s LEU 854 Ca 0.39 0.87 -0.14 0.00 0.69 0.00 0.00 54.13 55.94 1wok s LEU 854 Cb 0.21 -2.70 0.16 0.00 -0.43 0.00 0.00 46.19 43.43 1wok s LEU 854 CO 0.37 0.06 1.21 -1.38 -0.29 0.00 0.00 176.35 176.33 1wok s HIS 855 N 0.26 2.09 -0.37 5.38 -3.43 -1.26 -4.70 115.29 113.26 1wok s HIS 855 Ca 0.26 0.60 -0.09 0.00 -0.80 0.00 0.00 55.06 55.03 1wok s HIS 855 Cb -0.16 -3.68 0.01 0.00 -1.43 0.00 0.00 32.58 27.32 1wok s HIS 855 CO 0.11 -2.47 0.32 -1.71 -2.00 0.00 0.00 174.74 169.00 1wok n ASN 856 N -3.75 -7.91 -3.70 7.38 5.15 -1.26 -0.92 115.26 110.25 1wok n ASN 856 Ca 0.11 0.93 -0.17 0.00 -0.60 0.00 0.00 54.58 54.85 1wok n ASN 856 Cb 0.60 -5.31 -0.16 0.00 -0.53 0.00 0.00 39.78 34.37 1wok n ASN 856 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wok s ARG 857 N -2.15 -0.00 0.05 1.20 1.70 -1.26 -0.25 118.95 118.24 1wok s ARG 857 Ca 0.14 0.42 -0.01 0.00 -0.47 0.00 0.00 55.73 55.81 1wok s ARG 857 Cb -0.04 -0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 33.98 1wok s ARG 857 CO 0.76 -0.27 -0.02 -0.98 -1.08 0.00 0.00 175.30 173.71 1wok s ARG 858 N 1.89 0.58 -0.15 3.89 1.70 -1.08 -2.41 118.95 123.38 1wok s ARG 858 Ca -0.00 -1.13 -0.29 0.00 -0.47 0.00 0.00 55.73 53.83 1wok s ARG 858 Cb -0.12 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1wok s ARG 858 CO -0.05 -0.11 1.28 -0.51 -1.08 0.00 0.00 175.30 174.84 1wok s LEU 859 N -2.74 4.20 0.34 -1.89 1.43 -0.94 -2.68 118.68 116.40 1wok s LEU 859 Ca 0.04 1.74 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1wok s LEU 859 Cb 0.06 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1wok s LEU 859 CO -0.09 -0.75 0.05 -0.76 0.23 0.00 0.00 176.35 175.03 1wok s LEU 860 N 3.39 2.26 0.48 1.79 1.43 -1.12 -4.59 118.68 122.31 1wok s LEU 860 Ca 0.56 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1wok s LEU 860 Cb -0.23 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1wok s LEU 860 CO 0.16 -0.59 0.68 0.26 0.23 0.00 0.00 176.35 177.09 1wok s TRP 861 N -3.23 2.97 -0.30 0.29 0.52 -0.20 -2.83 118.94 116.17 1wok s TRP 861 Ca 0.36 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 56.42 1wok s TRP 861 Cb 0.09 -2.50 0.19 0.00 -1.15 0.00 0.00 33.47 30.10 1wok s TRP 861 CO 0.16 -0.57 0.72 -1.58 0.02 0.00 0.00 176.95 175.69 1wok s HIS 862 N -2.58 -1.37 0.42 -1.98 2.46 -0.04 -3.19 115.29 109.01 1wok s HIS 862 Ca 0.53 1.28 0.02 0.00 0.47 0.00 0.00 55.06 57.37 1wok s HIS 862 Cb -0.10 0.42 -0.00 0.00 -0.13 0.00 0.00 32.58 32.76 1wok s HIS 862 CO 0.37 -0.76 0.61 0.20 -2.47 0.00 0.00 174.74 172.69 1wok s GLY 863 N 2.88 1.58 -0.17 1.59 0.00 -1.05 -0.25 107.32 111.90 1wok s GLY 863 Ca 0.15 -1.19 -0.35 0.00 0.00 0.00 0.00 44.72 43.33 1wok s GLY 863 CO -0.20 -1.04 1.21 -0.45 0.00 0.00 0.00 173.10 172.62 1wok s SER 864 N -4.21 -0.13 0.54 1.64 0.15 -1.15 -4.78 113.70 105.75 1wok s SER 864 Ca 0.47 -0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.90 1wok s SER 864 Cb -0.10 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1wok s SER 864 CO 0.36 -0.24 1.27 -0.13 1.20 0.00 0.00 173.24 175.69 1wok s ARG 865 N -2.42 3.24 0.51 5.44 0.52 -1.23 -4.40 118.95 120.60 1wok s ARG 865 Ca 0.10 2.00 0.25 0.00 -0.52 0.00 0.00 55.73 57.57 1wok s ARG 865 Cb -0.01 -2.20 1.37 0.00 0.52 0.00 0.00 34.95 34.64 1wok s ARG 865 CO -0.05 -1.04 2.06 1.15 0.02 0.00 0.00 175.30 177.44 1wok h THR 866 N 1.38 0.66 -0.01 0.02 2.02 -1.92 -2.07 112.91 112.98 1wok h THR 866 Ca -0.50 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1wok h THR 866 Cb 1.29 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1wok h THR 866 CO 0.57 0.13 0.00 0.35 0.37 0.00 0.00 175.52 176.94 1wok n THR 867 N -3.74 0.01 -0.01 3.16 -2.24 -1.26 -3.01 114.28 107.19 1wok n THR 867 Ca -0.02 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1wok n THR 867 Cb 0.24 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1wok n THR 867 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wok n ASN 868 N -0.70 1.84 -0.14 3.42 3.02 -0.78 -3.89 115.26 118.03 1wok n ASN 868 Ca 0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1wok n ASN 868 Cb 0.07 1.60 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 1wok n ASN 868 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1wok h PHE 869 N 0.00 0.57 -1.02 3.10 -1.00 -1.57 -1.45 116.94 115.56 1wok h PHE 869 Ca -0.01 -0.01 0.25 0.00 2.81 0.00 0.00 57.97 61.00 1wok h PHE 869 Cb 0.68 -0.18 -0.10 0.00 3.61 0.00 0.00 35.95 39.96 1wok h PHE 869 CO 0.00 0.43 0.65 0.00 -1.61 0.00 0.00 178.31 177.77 1wok h ALA 870 N 1.09 2.09 0.00 2.45 0.00 -1.82 0.33 119.26 123.39 1wok h ALA 870 Ca 0.15 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1wok h ALA 870 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wok h ALA 870 CO -0.02 -0.50 -0.58 0.78 0.00 0.00 0.00 179.25 178.93 1wok h GLY 871 N 0.47 0.00 0.34 0.00 0.00 -1.73 -2.72 103.07 99.42 1wok h GLY 871 Ca 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1wok h GLY 871 CO -0.33 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 173.98 1wok h ILE 872 N 0.00 1.42 0.00 2.60 2.04 0.59 -0.64 117.51 123.52 1wok h ILE 872 Ca -0.03 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1wok h ILE 872 Cb 1.27 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1wok h ILE 872 CO 0.04 0.37 -0.10 -0.07 0.00 0.00 0.00 178.15 178.39 1wok h LEU 873 N -0.70 0.00 0.00 1.44 3.38 -0.98 1.91 115.31 120.37 1wok h LEU 873 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wok h LEU 873 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wok h LEU 873 CO 0.01 0.10 0.00 -0.24 0.09 0.00 0.00 178.44 178.40 1wok n SER 874 N -3.46 0.00 -1.05 -0.43 2.88 -1.03 -4.45 113.62 106.10 1wok n SER 874 Ca -0.01 0.50 0.12 0.00 -1.33 0.00 0.00 58.87 58.14 1wok n SER 874 Cb 0.26 -0.39 0.24 0.00 -0.75 0.00 0.00 64.21 63.58 1wok n SER 874 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1wok n GLN 875 N -1.66 2.37 -0.42 -1.46 0.00 -0.26 -4.87 117.38 111.08 1wok n GLN 875 Ca 0.00 -2.06 0.06 0.00 -0.00 0.00 0.00 57.00 54.99 1wok n GLN 875 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 30.24 28.73 1wok n GLN 875 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wok n GLY 876 N 1.44 -1.63 3.77 1.69 0.00 0.65 -4.85 105.19 106.25 1wok n GLY 876 Ca 0.19 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1wok n GLY 876 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wok s LEU 877 N -4.06 4.39 0.06 0.99 1.43 -1.26 -4.66 118.68 115.57 1wok s LEU 877 Ca 0.00 2.77 0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1wok s LEU 877 Cb 0.00 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1wok s LEU 877 CO 0.00 -0.66 -0.10 -0.13 0.23 0.00 0.00 176.35 175.70 1wok s ARG 878 N -1.49 0.67 0.77 1.70 1.81 -1.26 -4.91 118.95 116.24 1wok s ARG 878 Ca 0.53 -0.92 -0.12 0.00 -1.72 0.00 0.00 55.73 53.50 1wok s ARG 878 Cb -0.42 -0.45 0.05 0.00 -0.45 0.00 0.00 34.95 33.68 1wok s ARG 878 CO 0.53 0.08 1.14 0.96 -0.68 0.00 0.00 175.30 177.33 1wok s ILE 879 N -1.70 2.71 0.52 1.52 -4.36 -1.26 -4.78 121.20 113.86 1wok s ILE 879 Ca -0.04 0.23 -0.21 0.00 -0.26 0.00 0.00 60.65 60.37 1wok s ILE 879 Cb -0.08 -3.21 -0.06 0.00 1.25 0.00 0.00 42.46 40.37 1wok s ILE 879 CO 0.00 -0.30 1.25 0.00 0.24 0.00 0.00 174.94 176.13 1wok s ALA 880 N -3.45 2.81 0.82 2.27 0.00 -1.26 -4.96 121.76 117.99 1wok s ALA 880 Ca 0.60 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 1wok s ALA 880 Cb -0.11 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1wok s ALA 880 CO 0.51 -1.05 1.09 -1.25 0.00 0.00 0.00 175.76 175.06 1wok s PRO 881 N -2.92 1.85 0.28 0.00 0.04 -1.26 -4.90 135.00 128.08 1wok s PRO 881 Ca 0.70 0.77 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1wok s PRO 881 Cb -0.34 -1.88 0.62 0.00 0.04 0.00 0.00 34.50 32.94 1wok s PRO 881 CO 0.39 -1.82 1.75 -1.35 0.04 0.00 0.00 177.00 176.01 1wok h PRO 882 N -1.24 0.56 -0.94 0.56 0.11 -1.99 -2.00 132.00 127.06 1wok h PRO 882 Ca -0.47 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.70 1wok h PRO 882 Cb 1.27 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1wok h PRO 882 CO 0.57 0.37 0.61 0.93 -0.21 0.00 0.00 178.00 180.26 1wok h GLU 883 N 0.58 0.94 -7.22 1.05 3.07 -1.90 -3.44 114.58 107.66 1wok h GLU 883 Ca 0.51 -0.06 -0.53 0.00 -0.50 0.00 0.00 59.36 58.78 1wok h GLU 883 Cb 0.80 -0.21 0.16 0.00 -0.84 0.00 0.00 28.75 28.66 1wok h GLU 883 CO -0.41 0.62 0.34 0.00 -1.40 0.00 0.00 179.01 178.16 1wok s ALA 884 N -5.89 2.00 1.02 3.43 0.00 -0.75 -3.11 121.76 118.45 1wok s ALA 884 Ca -0.11 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1wok s ALA 884 Cb 0.21 -3.43 0.20 0.00 0.00 0.00 0.00 23.12 20.10 1wok s ALA 884 CO 0.80 -2.04 1.10 -1.25 0.00 0.00 0.00 175.76 174.38 1wok s PRO 885 N -4.21 0.20 -0.01 0.00 0.04 -1.26 -4.94 135.00 124.80 1wok s PRO 885 Ca 0.70 1.32 0.16 0.00 0.04 0.00 0.00 61.00 63.23 1wok s PRO 885 Cb -0.26 -1.65 -0.22 0.00 0.04 0.00 0.00 34.50 32.42 1wok s PRO 885 CO 0.49 -3.12 0.53 0.28 0.04 0.00 0.00 177.00 175.23 1wok n VAL 886 N -4.55 0.00 -1.04 -0.36 0.31 -1.26 -4.15 118.33 107.29 1wok n VAL 886 Ca 0.09 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1wok n VAL 886 Cb 0.53 0.57 0.31 0.00 -0.91 0.00 0.00 33.84 34.34 1wok n VAL 886 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1wok n THR 887 N -1.72 2.74 0.01 2.52 -1.04 -1.26 -4.24 114.28 111.30 1wok n THR 887 Ca 0.00 -1.73 -0.04 0.00 -2.04 0.00 0.00 64.05 60.24 1wok n THR 887 Cb 0.34 -0.32 -0.11 0.00 -1.82 0.00 0.00 70.33 68.43 1wok n THR 887 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1wok h GLY 888 N 2.68 0.00 -5.58 3.41 0.00 -1.96 -3.46 103.07 98.16 1wok h GLY 888 Ca 0.15 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.81 1wok h GLY 888 CO 0.55 0.00 -0.87 -0.19 0.00 0.00 0.00 176.54 176.03 1wok s TYR 889 N -2.76 2.57 0.24 5.60 1.51 -1.26 -5.03 117.35 118.21 1wok s TYR 889 Ca -0.03 -1.20 0.10 0.00 -1.01 0.00 0.00 57.07 54.93 1wok s TYR 889 Cb 0.08 -1.74 0.79 0.00 -0.11 0.00 0.00 41.96 40.98 1wok s TYR 889 CO 0.82 -0.53 1.08 -0.12 -1.11 0.00 0.00 175.55 175.69 1wok n MET 890 N 3.86 -0.05 -1.95 -0.62 0.00 -1.26 -0.22 117.12 116.89 1wok n MET 890 Ca -0.20 0.97 -0.18 0.00 -0.00 0.00 0.00 57.70 58.29 1wok n MET 890 Cb 0.52 -1.67 0.04 0.00 0.00 0.00 0.00 33.22 32.11 1wok n MET 890 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1wok n PHE 891 N -4.67 2.29 -0.88 1.12 3.72 -1.26 -2.53 117.46 115.25 1wok n PHE 891 Ca 0.23 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.51 1wok n PHE 891 Cb 0.76 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1wok n PHE 891 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wok n GLY 892 N -0.73 -2.36 3.64 1.37 0.00 0.70 -4.50 105.19 103.32 1wok n GLY 892 Ca 0.37 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1wok n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wok s LYS 893 N -0.76 4.12 -0.00 1.61 1.02 -1.26 -4.62 119.74 119.84 1wok s LYS 893 Ca 0.00 0.93 -0.06 0.00 0.02 0.00 0.00 55.97 56.87 1wok s LYS 893 Cb 0.00 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1wok s LYS 893 CO 0.00 -0.63 0.27 0.41 -0.92 0.00 0.00 175.35 174.48 1wok n GLY 894 N 3.82 0.56 3.60 -3.33 0.00 -1.26 -4.81 105.19 103.76 1wok n GLY 894 Ca 0.07 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 1wok n GLY 894 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wok s ILE 895 N -2.13 5.17 0.32 -0.61 1.01 -0.76 -4.64 121.20 119.56 1wok s ILE 895 Ca 0.06 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 1wok s ILE 895 Cb -0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1wok s ILE 895 CO -0.00 0.12 0.59 -0.31 0.00 0.00 0.00 174.94 175.34 1wok s TYR 896 N 2.07 3.48 -0.10 3.97 1.51 -1.26 -2.20 117.35 124.83 1wok s TYR 896 Ca 0.15 0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 56.69 1wok s TYR 896 Cb -0.16 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1wok s TYR 896 CO 0.10 0.11 0.44 -0.06 -1.11 0.00 0.00 175.55 175.03 1wok s PHE 897 N -2.17 -0.41 0.21 2.71 0.40 0.81 -4.83 117.98 114.69 1wok s PHE 897 Ca 0.44 0.88 0.11 0.00 -0.60 0.00 0.00 56.93 57.76 1wok s PHE 897 Cb -0.11 0.18 -0.05 0.00 0.51 0.00 0.00 43.02 43.56 1wok s PHE 897 CO 0.32 -0.34 -0.22 0.00 0.70 0.00 0.00 175.22 175.67 1wok s ALA 898 N -0.50 2.49 -1.77 5.36 0.00 -1.19 0.41 121.76 126.56 1wok s ALA 898 Ca -0.06 -1.67 0.17 0.00 0.00 0.00 0.00 51.96 50.40 1wok s ALA 898 Cb -0.03 -0.29 0.33 0.00 0.00 0.00 0.00 23.12 23.13 1wok s ALA 898 CO 0.03 0.36 1.25 -0.40 0.00 0.00 0.00 175.76 177.00 1wok n ASP 899 N 0.05 3.03 -4.31 0.00 5.68 -1.26 -1.03 116.55 118.71 1wok n ASP 899 Ca -0.11 -1.88 -0.39 0.00 -0.50 0.00 0.00 54.79 51.91 1wok n ASP 899 Cb 0.57 -0.21 -0.11 0.00 -1.14 0.00 0.00 41.12 40.23 1wok n ASP 899 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1wok s MET 900 N -1.20 2.68 0.12 0.11 -1.94 -1.26 -4.83 119.30 112.98 1wok s MET 900 Ca 0.30 -1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 52.77 1wok s MET 900 Cb 0.17 -3.63 -0.09 0.00 2.01 0.00 0.00 34.83 33.29 1wok s MET 900 CO 0.24 -0.74 1.49 -0.24 -0.01 0.00 0.00 175.02 175.75 1wok h VAL 901 N 6.05 0.00 -0.31 -6.03 3.04 -0.97 -2.03 116.25 116.00 1wok h VAL 901 Ca -0.24 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.52 1wok h VAL 901 Cb 1.09 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 30.29 1wok h VAL 901 CO 0.66 0.00 -0.38 0.77 -1.01 0.00 0.00 177.57 177.61 1wok h SER 902 N -0.29 -1.24 -0.96 3.17 4.64 -1.87 -1.10 113.55 115.91 1wok h SER 902 Ca 0.08 0.19 0.19 0.00 -0.47 0.00 0.00 61.79 61.78 1wok h SER 902 Cb 0.50 0.54 -0.18 0.00 -0.31 0.00 0.00 62.40 62.95 1wok h SER 902 CO -0.60 -0.36 -0.23 1.17 -0.87 0.00 0.00 176.83 175.93 1wok n LYS 903 N -5.42 -0.09 0.23 4.77 4.81 -0.79 0.12 118.16 121.79 1wok n LYS 903 Ca -0.01 1.49 0.14 0.00 -0.87 0.00 0.00 58.31 59.06 1wok n LYS 903 Cb 0.35 -2.23 0.36 0.00 0.02 0.00 0.00 35.03 33.53 1wok n LYS 903 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1wok h SER 904 N 0.00 0.00 0.92 3.14 0.87 -1.05 -2.94 113.55 114.49 1wok h SER 904 Ca 0.46 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.85 1wok h SER 904 Cb 0.71 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1wok h SER 904 CO -0.98 0.00 -0.80 0.00 -0.53 0.00 0.00 176.83 174.52 1wok h ALA 905 N 2.05 0.61 0.00 6.23 0.00 0.21 -2.75 119.26 125.60 1wok h ALA 905 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1wok h ALA 905 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wok h ALA 905 CO 0.00 1.00 0.00 0.09 0.00 0.00 0.00 179.25 180.34 1wok n ASN 906 N -3.48 0.00 -1.31 0.00 4.13 0.00 -1.24 115.26 113.36 1wok n ASN 906 Ca -0.00 0.37 0.08 0.00 1.68 0.00 0.00 54.58 56.71 1wok n ASN 906 Cb 0.80 -0.38 0.31 0.00 -1.54 0.00 0.00 39.78 38.97 1wok n ASN 906 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1wok n TYR 907 N -1.38 1.29 -0.04 3.10 4.01 -1.17 -4.24 117.16 118.74 1wok n TYR 907 Ca 0.00 -0.69 -0.10 0.00 -0.16 0.00 0.00 57.90 56.96 1wok n TYR 907 Cb 0.01 -0.28 -0.14 0.00 -0.31 0.00 0.00 39.34 38.62 1wok n TYR 907 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wok n HIS 909 N -3.00 -2.57 -3.84 0.00 8.25 -1.26 -4.05 115.22 108.76 1wok n HIS 909 Ca -0.22 0.91 -0.36 0.00 -0.26 0.00 0.00 57.72 57.79 1wok n HIS 909 Cb 1.08 -3.92 -0.13 0.00 1.12 0.00 0.00 29.99 28.13 1wok n HIS 909 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wok s THR 910 N -3.21 3.52 0.00 1.59 -4.23 -1.26 -4.99 115.64 107.05 1wok s THR 910 Ca 0.24 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1wok s THR 910 Cb -0.05 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1wok s THR 910 CO 0.77 0.08 0.00 -1.54 -0.54 0.00 0.00 174.62 173.39 1wok n SER 911 N 4.78 0.00 0.06 3.99 3.41 -1.11 -4.77 113.62 119.99 1wok n SER 911 Ca -0.15 -0.99 0.11 0.00 -0.26 0.00 0.00 58.87 57.58 1wok n SER 911 Cb 0.47 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.99 1wok n SER 911 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1wok h GLN 912 N 0.00 0.22 0.12 4.33 1.08 -1.98 -1.36 115.11 117.52 1wok h GLN 912 Ca 0.00 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.92 1wok h GLN 912 Cb 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1wok h GLN 912 CO 0.00 0.15 -1.23 0.78 -0.95 0.00 0.00 178.83 177.57 1wok h GLY 913 N 0.23 0.30 -6.29 3.46 0.00 -2.01 -3.37 103.07 95.37 1wok h GLY 913 Ca 0.15 -0.76 -0.59 0.00 0.00 0.00 0.00 47.33 46.13 1wok h GLY 913 CO -0.03 0.66 -0.71 1.34 0.00 0.00 0.00 176.54 177.80 1wok n ASP 914 N -3.52 2.73 0.00 0.19 2.03 -0.81 -4.96 116.55 112.21 1wok n ASP 914 Ca -0.08 -3.21 0.02 0.00 0.52 0.00 0.00 54.79 52.04 1wok n ASP 914 Cb 1.02 -0.67 0.10 0.00 -0.72 0.00 0.00 41.12 40.85 1wok n ASP 914 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wok n PRO 915 N 1.21 0.16 -4.14 -0.67 -0.04 -0.58 -2.73 135.00 128.21 1wok n PRO 915 Ca 0.27 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.55 1wok n PRO 915 Cb 0.43 -1.33 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1wok n PRO 915 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1wok s ILE 916 N -2.00 0.45 0.16 0.52 -0.00 -1.26 0.13 121.20 119.20 1wok s ILE 916 Ca 0.05 -0.14 0.01 0.00 -0.00 0.00 0.00 60.65 60.58 1wok s ILE 916 Cb 0.02 -0.45 -0.01 0.00 -0.00 0.00 0.00 42.46 42.03 1wok s ILE 916 CO 0.04 0.17 0.05 0.61 -0.00 0.00 0.00 174.94 175.81 1wok n GLY 917 N 3.62 3.79 3.17 6.27 0.00 -0.98 -4.96 105.19 116.10 1wok n GLY 917 Ca -0.21 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 1wok n GLY 917 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wok s LEU 918 N 0.00 1.95 -0.04 0.99 1.43 -1.26 -2.26 118.68 119.49 1wok s LEU 918 Ca 0.07 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1wok s LEU 918 Cb 0.00 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1wok s LEU 918 CO 0.05 0.16 -0.24 -0.51 0.23 0.00 0.00 176.35 176.05 1wok s ILE 919 N 0.12 2.19 -0.13 -0.59 -1.16 -0.95 -3.82 121.20 116.86 1wok s ILE 919 Ca -0.08 -1.04 -0.04 0.00 -0.51 0.00 0.00 60.65 58.99 1wok s ILE 919 Cb -0.14 -1.79 -0.03 0.00 0.61 0.00 0.00 42.46 41.11 1wok s ILE 919 CO 0.04 0.58 0.00 -0.22 -2.81 0.00 0.00 174.94 172.53 1wok s LEU 920 N -0.39 3.53 -0.27 8.50 2.96 0.66 -1.50 118.68 132.16 1wok s LEU 920 Ca 0.03 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1wok s LEU 920 Cb -0.12 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.77 1wok s LEU 920 CO 0.02 0.26 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.07 1wok s LEU 921 N -0.20 3.55 0.27 -0.68 0.20 0.12 -0.86 118.68 121.08 1wok s LEU 921 Ca 0.05 -1.04 0.07 0.00 0.69 0.00 0.00 54.13 53.90 1wok s LEU 921 Cb -0.12 -1.70 -0.06 0.00 -0.43 0.00 0.00 46.19 43.88 1wok s LEU 921 CO 0.02 -0.19 -0.07 -0.83 -0.29 0.00 0.00 176.35 174.99 1wok s GLY 922 N 1.31 1.76 -0.27 7.98 0.00 -1.13 0.16 107.32 117.12 1wok s GLY 922 Ca -0.02 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.73 1wok s GLY 922 CO -0.02 -1.82 0.19 1.85 0.00 0.00 0.00 173.10 173.30 1wok s GLU 923 N -3.72 3.97 -0.19 2.90 2.12 -0.73 -2.81 118.70 120.24 1wok s GLU 923 Ca 0.28 -0.29 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 1wok s GLU 923 Cb 0.03 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 1wok s GLU 923 CO 0.11 -0.15 -0.01 0.08 -0.54 0.00 0.00 175.26 174.75 1wok s VAL 924 N 1.66 3.93 -0.85 3.70 1.01 -1.09 -2.43 120.40 126.33 1wok s VAL 924 Ca 0.07 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1wok s VAL 924 Cb -0.16 -2.76 0.08 0.00 0.00 0.00 0.00 36.38 33.54 1wok s VAL 924 CO 0.10 0.45 1.19 0.00 0.00 0.00 0.00 175.10 176.83 1wok s ALA 925 N 0.84 3.03 0.00 5.51 0.00 -0.33 -2.63 121.76 128.17 1wok s ALA 925 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 51.96 49.81 1wok s ALA 925 Cb -0.14 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1wok s ALA 925 CO 0.02 -3.14 0.00 1.28 0.00 0.00 0.00 175.76 173.92 1wok n LEU 926 N 7.94 0.16 0.00 0.00 4.77 -0.07 -4.89 117.00 124.90 1wok n LEU 926 Ca 0.15 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1wok n LEU 926 Cb 0.49 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wok n LEU 926 CO 0.62 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1wok n GLY 927 N 1.80 1.79 3.55 -0.72 0.00 0.65 -4.25 105.19 108.02 1wok n GLY 927 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1wok n GLY 927 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wok s ASN 928 N -4.00 6.17 0.29 1.61 3.84 -1.26 -4.74 114.94 116.84 1wok s ASN 928 Ca 0.00 -0.71 -0.24 0.00 0.21 0.00 0.00 52.86 52.12 1wok s ASN 928 Cb 0.00 -2.56 -0.09 0.00 -0.55 0.00 0.00 41.25 38.05 1wok s ASN 928 CO 0.00 -1.81 0.87 -0.04 -2.79 0.00 0.00 177.10 173.33 1wok s MET 929 N 5.64 4.48 -0.50 0.43 -1.94 -1.26 -1.00 119.30 125.15 1wok s MET 929 Ca 0.42 1.18 -0.14 0.00 -1.71 0.00 0.00 55.69 55.44 1wok s MET 929 Cb -0.06 -2.84 0.11 0.00 2.01 0.00 0.00 34.83 34.06 1wok s MET 929 CO 0.07 0.32 0.43 -0.47 -0.01 0.00 0.00 175.02 175.36 1wok s TYR 930 N -1.57 3.30 0.64 -0.03 5.04 0.66 -4.84 117.35 120.55 1wok s TYR 930 Ca 0.48 -1.40 -0.17 0.00 -2.44 0.00 0.00 57.07 53.54 1wok s TYR 930 Cb -0.18 -3.55 -0.01 0.00 0.35 0.00 0.00 41.96 38.57 1wok s TYR 930 CO 0.23 -0.96 1.21 -1.21 -1.34 0.00 0.00 175.55 173.48 1wok s GLU 931 N 1.53 2.67 -0.02 4.97 0.41 -1.26 -1.07 118.70 125.93 1wok s GLU 931 Ca 0.04 1.80 -0.28 0.00 -0.41 0.00 0.00 54.97 56.12 1wok s GLU 931 Cb -0.28 -1.89 0.06 0.00 -1.78 0.00 0.00 34.13 30.24 1wok s GLU 931 CO 0.03 -1.44 0.62 -0.51 -0.49 0.00 0.00 175.26 173.46 1wok s LEU 932 N -4.48 -0.42 0.00 1.80 1.43 -0.84 -4.86 118.68 111.30 1wok s LEU 932 Ca 0.76 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1wok s LEU 932 Cb -0.30 2.36 0.00 0.00 0.03 0.00 0.00 46.19 48.28 1wok s LEU 932 CO 0.38 -0.63 0.00 0.29 0.23 0.00 0.00 176.35 176.62 1wok n LYS 933 N 0.79 3.70 -5.14 1.70 5.02 -1.26 -1.08 118.16 121.89 1wok n LYS 933 Ca -0.19 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.79 1wok n LYS 933 Cb 0.58 -0.57 -0.15 0.00 -0.02 0.00 0.00 35.03 34.87 1wok n LYS 933 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1wok s HIS 934 N -1.03 2.39 0.28 2.13 -3.43 -1.26 -1.63 115.29 112.73 1wok s HIS 934 Ca 0.00 -0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 53.57 1wok s HIS 934 Cb 0.00 -1.49 -0.11 0.00 -1.43 0.00 0.00 32.58 29.54 1wok s HIS 934 CO 0.00 0.04 1.61 0.00 -2.00 0.00 0.00 174.74 174.39 1wok s ALA 935 N -0.68 3.78 -0.33 -1.38 0.00 -1.26 -4.97 121.76 116.92 1wok s ALA 935 Ca 0.11 1.57 0.02 0.00 0.00 0.00 0.00 51.96 53.66 1wok s ALA 935 Cb -0.10 -3.66 0.15 0.00 0.00 0.00 0.00 23.12 19.51 1wok s ALA 935 CO 0.00 -0.98 0.35 -1.12 0.00 0.00 0.00 175.76 174.01 1wok s SER 936 N 0.61 1.28 -0.77 0.00 0.01 -1.05 -5.05 113.70 108.72 1wok s SER 936 Ca 0.65 -1.09 -0.26 0.00 1.31 0.00 0.00 55.95 56.56 1wok s SER 936 Cb -0.48 0.61 -0.11 0.00 0.21 0.00 0.00 66.02 66.25 1wok s SER 936 CO 0.45 -0.32 2.30 -1.00 0.41 0.00 0.00 173.24 175.08 1wok s HIS 937 N 1.96 1.27 0.26 2.43 3.76 -1.23 -4.51 115.29 119.23 1wok s HIS 937 Ca 0.13 1.65 0.08 0.00 -0.15 0.00 0.00 55.06 56.77 1wok s HIS 937 Cb -0.14 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1wok s HIS 937 CO -0.19 -1.73 0.14 0.96 -0.85 0.00 0.00 174.74 173.06 1wok s ILE 938 N 13.44 4.13 -0.58 0.60 -5.25 -1.26 -4.87 121.20 127.41 1wok s ILE 938 Ca 0.88 -1.56 0.05 0.00 -0.99 0.00 0.00 60.65 59.03 1wok s ILE 938 Cb -0.12 -3.23 0.06 0.00 2.95 0.00 0.00 42.46 42.12 1wok s ILE 938 CO 0.09 -0.35 0.75 -1.54 -1.79 0.00 0.00 174.94 172.09 1wok n SER 939 N -1.10 1.61 -3.50 4.36 3.41 -1.26 -4.39 113.62 112.75 1wok n SER 939 Ca -0.07 -1.36 -0.12 0.00 -0.26 0.00 0.00 58.87 57.05 1wok n SER 939 Cb 0.58 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1wok n SER 939 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wok s LYS 940 N -0.53 0.95 0.14 4.33 -2.85 -1.26 -5.12 119.74 115.40 1wok s LYS 940 Ca 0.07 -0.11 -0.06 0.00 -1.00 0.00 0.00 55.97 54.87 1wok s LYS 940 Cb 0.04 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 1wok s LYS 940 CO 0.06 -0.36 0.39 -0.51 0.10 0.00 0.00 175.35 175.03 1wok s LEU 941 N -1.94 4.27 0.62 2.77 1.02 -1.26 -5.08 118.68 119.08 1wok s LEU 941 Ca -0.01 0.64 -0.16 0.00 0.02 0.00 0.00 54.13 54.61 1wok s LEU 941 Cb -0.01 -3.29 -0.02 0.00 0.02 0.00 0.00 46.19 42.90 1wok s LEU 941 CO -0.03 0.06 1.11 -2.84 0.02 0.00 0.00 176.35 174.67 1wok s PRO 942 N -2.56 3.00 0.50 1.29 0.02 -1.26 -4.86 135.00 131.14 1wok s PRO 942 Ca 0.40 1.45 -0.19 0.00 0.02 0.00 0.00 61.00 62.68 1wok s PRO 942 Cb -0.12 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1wok s PRO 942 CO 0.23 -1.10 0.23 1.63 -0.33 0.00 0.00 177.00 177.67 1wok n LYS 943 N -2.05 0.27 -1.13 5.54 4.76 -1.26 -0.71 118.16 123.58 1wok n LYS 943 Ca 0.11 0.10 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 1wok n LYS 943 Cb 0.52 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 1wok n LYS 943 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wok n GLY 944 N 2.12 0.48 3.43 0.72 0.00 -1.26 -4.97 105.19 105.70 1wok n GLY 944 Ca 0.10 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1wok n GLY 944 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wok s LYS 945 N -2.16 3.56 -0.00 1.61 -0.14 0.11 -4.72 119.74 117.99 1wok s LYS 945 Ca 0.00 -0.56 0.12 0.00 -1.36 0.00 0.00 55.97 54.16 1wok s LYS 945 Cb 0.00 -2.94 -0.14 0.00 -1.68 0.00 0.00 37.83 33.07 1wok s LYS 945 CO 0.00 0.09 0.43 0.72 -0.76 0.00 0.00 175.35 175.83 1wok n HIS 946 N 3.96 0.00 -3.87 3.18 8.25 -0.17 -4.73 115.22 121.84 1wok n HIS 946 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1wok n HIS 946 Cb 0.52 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.56 1wok n HIS 946 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wok s SER 947 N -2.41 0.03 -0.05 0.41 1.04 -1.15 -4.69 113.70 106.87 1wok s SER 947 Ca 0.02 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1wok s SER 947 Cb 0.08 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1wok s SER 947 CO 0.48 -1.51 -0.16 -0.69 0.98 0.00 0.00 173.24 172.34 1wok s VAL 948 N -2.99 1.36 -0.18 5.02 1.01 -1.19 -0.24 120.40 123.19 1wok s VAL 948 Ca 0.17 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1wok s VAL 948 Cb -0.04 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1wok s VAL 948 CO 0.11 0.40 -0.19 -0.75 0.00 0.00 0.00 175.10 174.67 1wok s LYS 949 N 0.28 2.98 -0.11 2.72 2.20 -0.23 -2.29 119.74 125.30 1wok s LYS 949 Ca -0.09 -0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 54.43 1wok s LYS 949 Cb -0.13 -2.60 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1wok s LYS 949 CO 0.03 -0.22 0.82 0.20 -0.36 0.00 0.00 175.35 175.82 1wok s GLY 950 N 1.29 2.41 -0.17 5.54 0.00 -0.55 -1.98 107.32 113.87 1wok s GLY 950 Ca 0.05 0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 1wok s GLY 950 CO -0.12 1.52 0.87 1.08 0.00 0.00 0.00 173.10 176.45 1wok s LEU 951 N 1.51 4.18 0.24 0.66 1.43 -0.24 -2.71 118.68 123.75 1wok s LEU 951 Ca 0.40 1.24 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1wok s LEU 951 Cb -0.18 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1wok s LEU 951 CO 0.17 -0.43 0.30 -0.83 0.23 0.00 0.00 176.35 175.79 1wok s GLY 952 N 1.15 1.30 0.28 -3.19 0.00 -1.25 -4.26 107.32 101.36 1wok s GLY 952 Ca 0.40 -1.29 0.26 0.00 0.00 0.00 0.00 44.72 44.09 1wok s GLY 952 CO 0.13 -1.31 1.76 0.50 0.00 0.00 0.00 173.10 174.17 1wok h LYS 953 N 1.33 0.00 -6.14 2.90 1.57 -1.12 -3.42 116.57 111.68 1wok h LYS 953 Ca -0.51 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.67 1wok h LYS 953 Cb 1.23 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.27 1wok h LYS 953 CO 0.61 0.00 -0.85 0.99 -0.57 0.00 0.00 179.45 179.63 1wok s THR 954 N -3.24 1.71 0.19 -0.16 2.01 -0.60 -2.20 115.64 113.35 1wok s THR 954 Ca 0.07 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.78 1wok s THR 954 Cb 0.10 -1.46 0.04 0.00 0.01 0.00 0.00 72.50 71.19 1wok s THR 954 CO 0.53 0.33 0.55 0.42 -0.69 0.00 0.00 174.62 175.76 1wok s THR 955 N -0.67 0.02 0.17 -0.82 -4.23 0.85 -4.10 115.64 106.86 1wok s THR 955 Ca 0.08 -0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1wok s THR 955 Cb -0.09 -1.41 -0.08 0.00 1.34 0.00 0.00 72.50 72.27 1wok s THR 955 CO 0.01 -0.09 1.15 -2.84 -0.54 0.00 0.00 174.62 172.31 1wok s PRO 956 N -3.83 4.53 0.10 3.99 0.02 -1.26 0.12 135.00 138.66 1wok s PRO 956 Ca 0.06 1.80 -0.34 0.00 0.02 0.00 0.00 61.00 62.53 1wok s PRO 956 Cb -0.01 -3.26 -0.14 0.00 0.02 0.00 0.00 34.50 31.11 1wok s PRO 956 CO -0.06 -0.02 1.61 -3.47 -0.33 0.00 0.00 177.00 174.73 1wok n ASP 957 N 2.52 2.99 0.14 2.53 4.64 -0.78 -4.85 116.55 123.75 1wok n ASP 957 Ca 0.04 1.07 0.02 0.00 -1.38 0.00 0.00 54.79 54.53 1wok n ASP 957 Cb 0.45 -1.38 0.06 0.00 -1.04 0.00 0.00 41.12 39.21 1wok n ASP 957 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1wok h PRO 958 N 6.44 0.00 0.00 -0.67 0.13 -1.92 -3.24 132.00 132.74 1wok h PRO 958 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wok h PRO 958 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wok h PRO 958 CO 0.89 0.55 0.09 -1.13 -0.23 0.00 0.00 178.00 178.16 1wok n SER 959 N -3.30 0.00 -0.86 1.44 3.41 -1.26 -0.26 113.62 112.78 1wok n SER 959 Ca 0.01 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.89 1wok n SER 959 Cb 0.72 -0.26 0.20 0.00 -0.26 0.00 0.00 64.21 64.61 1wok n SER 959 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wok n ALA 960 N -1.22 3.93 -2.39 7.33 0.00 -1.22 -4.95 120.51 121.99 1wok n ALA 960 Ca 0.00 -3.19 -0.43 0.00 0.00 0.00 0.00 53.44 49.82 1wok n ALA 960 Cb 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1wok n ALA 960 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wok n ASN 961 N -1.12 4.74 -4.41 0.00 5.03 0.64 -4.02 115.26 116.11 1wok n ASN 961 Ca 0.26 -2.95 -0.44 0.00 0.87 0.00 0.00 54.58 52.33 1wok n ASN 961 Cb 0.86 -1.64 -0.01 0.00 -1.02 0.00 0.00 39.78 37.98 1wok n ASN 961 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1wok n ILE 962 N 5.11 1.56 -3.77 2.41 -0.00 -1.19 -4.54 119.36 118.94 1wok n ILE 962 Ca 0.46 -0.50 -0.36 0.00 -0.00 0.00 0.00 62.75 62.35 1wok n ILE 962 Cb 0.42 -0.31 -0.11 0.00 -0.00 0.00 0.00 39.64 39.63 1wok n ILE 962 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1wok s SER 963 N -0.93 5.16 -0.57 4.38 0.01 -1.26 -1.32 113.70 119.17 1wok s SER 963 Ca 0.62 -2.50 -0.20 0.00 1.31 0.00 0.00 55.95 55.17 1wok s SER 963 Cb -0.71 -1.82 -0.18 0.00 0.21 0.00 0.00 66.02 63.52 1wok s SER 963 CO 0.59 -0.43 1.82 -0.11 0.41 0.00 0.00 173.24 175.51 1wok n LEU 964 N 3.94 3.25 -3.03 2.44 7.94 0.20 -4.56 117.00 127.19 1wok n LEU 964 Ca 0.03 -2.46 -0.01 0.00 -1.11 0.00 0.00 56.01 52.47 1wok n LEU 964 Cb 0.39 -0.93 -0.01 0.00 0.53 0.00 0.00 43.42 43.40 1wok n LEU 964 CO 0.33 -0.64 -0.15 -0.67 -1.11 0.00 0.00 177.39 175.15 1wok n ASP 965 N 7.18 -6.65 -0.39 1.96 2.03 -1.26 -3.35 116.55 116.07 1wok n ASP 965 Ca 0.45 0.96 -0.05 0.00 0.52 0.00 0.00 54.79 56.66 1wok n ASP 965 Cb 0.34 -2.07 -0.02 0.00 -0.72 0.00 0.00 41.12 38.65 1wok n ASP 965 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wok n GLY 966 N 2.27 0.64 3.21 0.27 0.00 -1.26 -4.96 105.19 105.36 1wok n GLY 966 Ca -0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1wok n GLY 966 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wok s VAL 967 N -1.77 0.01 0.35 1.61 1.01 -1.21 -4.80 120.40 115.60 1wok s VAL 967 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1wok s VAL 967 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1wok s VAL 967 CO 0.00 -0.05 0.39 -1.81 0.00 0.00 0.00 175.10 173.64 1wok s ASP 968 N -0.08 5.54 -0.19 3.32 1.01 -1.01 0.61 116.67 125.88 1wok s ASP 968 Ca -0.02 -0.41 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 1wok s ASP 968 Cb -0.03 -0.99 0.09 0.00 1.01 0.00 0.00 42.92 43.01 1wok s ASP 968 CO 0.01 -0.45 0.27 -0.69 0.21 0.00 0.00 175.17 174.51 1wok s VAL 969 N -2.28 -0.41 -0.91 -1.27 1.01 -0.44 -2.22 120.40 113.89 1wok s VAL 969 Ca 0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 1wok s VAL 969 Cb -0.07 -0.65 -0.15 0.00 0.00 0.00 0.00 36.38 35.51 1wok s VAL 969 CO 0.29 -0.11 3.07 -2.65 0.00 0.00 0.00 175.10 175.70 1wok n PRO 970 N 5.34 2.82 0.00 2.72 -0.02 -1.26 -3.18 135.00 141.42 1wok n PRO 970 Ca -0.05 -1.63 0.10 0.00 -2.02 0.00 0.00 63.50 59.90 1wok n PRO 970 Cb 0.50 -2.43 0.60 0.00 -0.02 0.00 0.00 33.50 32.14 1wok n PRO 970 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1wok n LEU 971 N 3.22 0.00 -4.69 2.45 -0.00 -1.26 -4.79 117.00 111.92 1wok n LEU 971 Ca 0.60 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 56.19 1wok n LEU 971 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.86 1wok n LEU 971 CO 0.55 0.00 1.40 -0.83 -0.00 0.00 0.00 177.39 178.51 1wok s GLY 972 N -1.90 1.45 0.42 1.47 0.00 -1.26 -4.69 107.32 102.82 1wok s GLY 972 Ca 0.30 1.33 -0.23 0.00 0.00 0.00 0.00 44.72 46.12 1wok s GLY 972 CO 0.23 3.01 0.67 2.41 0.00 0.00 0.00 173.10 179.42 1wok n THR 973 N 4.72 1.99 -1.61 0.90 -1.04 -1.26 -3.46 114.28 114.51 1wok n THR 973 Ca 0.17 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.23 1wok n THR 973 Cb 0.39 -0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 68.20 1wok n THR 973 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wok n GLY 974 N 1.64 -0.12 3.64 3.41 0.00 -1.25 -1.87 105.19 110.64 1wok n GLY 974 Ca 0.11 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 1wok n GLY 974 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wok s ILE 975 N -1.04 0.00 -0.13 -0.61 1.10 0.32 -4.79 121.20 116.05 1wok s ILE 975 Ca 0.58 -1.33 -0.29 0.00 -0.51 0.00 0.00 60.65 59.10 1wok s ILE 975 Cb -0.68 -2.28 -0.01 0.00 0.15 0.00 0.00 42.46 39.63 1wok s ILE 975 CO 0.60 0.00 1.08 -0.44 -2.11 0.00 0.00 174.94 174.07 1wok s SER 976 N -3.03 7.14 0.45 4.50 0.01 -1.26 -0.11 113.70 121.39 1wok s SER 976 Ca 0.21 1.57 0.29 0.00 1.31 0.00 0.00 55.95 59.32 1wok s SER 976 Cb -0.02 -2.55 0.98 0.00 0.21 0.00 0.00 66.02 64.64 1wok s SER 976 CO 0.10 -0.57 1.82 0.77 0.41 0.00 0.00 173.24 175.78 1wok h SER 977 N 7.38 0.00 0.00 2.44 4.64 -1.70 -3.47 113.55 122.85 1wok h SER 977 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1wok h SER 977 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1wok h SER 977 CO 0.90 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1wok n GLY 978 N 0.44 0.70 3.78 -0.77 0.00 -1.26 -5.04 105.19 103.04 1wok n GLY 978 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1wok n GLY 978 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wok s VAL 979 N -2.36 4.57 0.00 1.61 1.01 -1.26 -5.01 120.40 118.96 1wok s VAL 979 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1wok s VAL 979 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1wok s VAL 979 CO 0.00 0.11 0.00 -0.46 0.00 0.00 0.00 175.10 174.75 1wok n ASN 980 N 0.38 0.00 -1.04 3.32 6.94 -1.26 -4.67 115.26 118.94 1wok n ASN 980 Ca -0.08 -0.31 0.11 0.00 -0.02 0.00 0.00 54.58 54.28 1wok n ASN 980 Cb 0.52 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.20 1wok n ASN 980 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1wok n ASP 981 N 0.00 3.05 -4.91 0.53 5.75 -1.26 -4.94 116.55 114.78 1wok n ASP 981 Ca 0.00 -1.95 -0.27 0.00 -0.01 0.00 0.00 54.79 52.56 1wok n ASP 981 Cb 0.08 -0.30 0.02 0.00 -1.03 0.00 0.00 41.12 39.89 1wok n ASP 981 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1wok s THR 982 N -1.41 4.29 -0.51 2.12 -1.32 -1.26 -4.93 115.64 112.62 1wok s THR 982 Ca 0.38 0.13 0.16 0.00 -1.21 0.00 0.00 61.69 61.15 1wok s THR 982 Cb 0.21 -3.66 0.62 0.00 -1.51 0.00 0.00 72.50 68.16 1wok s THR 982 CO 0.29 -0.67 1.53 -1.54 -2.21 0.00 0.00 174.62 172.02 1wok n SER 983 N -2.44 4.44 -4.37 8.08 3.41 -0.65 -4.94 113.62 117.16 1wok n SER 983 Ca 0.03 -2.74 -0.32 0.00 -0.26 0.00 0.00 58.87 55.57 1wok n SER 983 Cb 0.56 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 1wok n SER 983 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wok s LEU 984 N -2.36 2.49 0.21 1.04 1.02 -1.26 -5.01 118.68 114.81 1wok s LEU 984 Ca 0.45 -0.35 0.24 0.00 0.02 0.00 0.00 54.13 54.48 1wok s LEU 984 Cb 0.33 -1.51 0.29 0.00 0.02 0.00 0.00 46.19 45.32 1wok s LEU 984 CO 0.15 0.25 1.34 -0.07 0.02 0.00 0.00 176.35 178.03 1wok h LEU 985 N 6.07 0.00 -8.14 1.79 3.38 -1.92 -1.88 115.31 114.61 1wok h LEU 985 Ca -0.34 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1wok h LEU 985 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 1wok h LEU 985 CO 0.51 0.04 -0.56 -0.31 0.09 0.00 0.00 178.44 178.21 1wok s TYR 986 N -3.23 0.47 0.71 1.13 2.02 -1.26 -1.55 117.35 115.64 1wok s TYR 986 Ca 0.05 -0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 55.70 1wok s TYR 986 Cb 0.11 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.40 1wok s TYR 986 CO 0.72 -0.48 1.07 -0.80 -1.57 0.00 0.00 175.55 174.49 1wok s ASN 987 N -2.93 5.20 -0.00 2.29 0.01 -1.26 -3.82 114.94 114.42 1wok s ASN 987 Ca 0.10 1.66 -0.03 0.00 -0.71 0.00 0.00 52.86 53.89 1wok s ASN 987 Cb 0.07 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 39.22 1wok s ASN 987 CO -0.07 -1.57 0.05 -1.61 -1.51 0.00 0.00 177.10 172.39 1wok s GLU 988 N -5.00 0.25 -0.05 -0.60 2.02 -1.10 -4.35 118.70 109.87 1wok s GLU 988 Ca 0.59 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.36 1wok s GLU 988 Cb -0.15 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.19 1wok s GLU 988 CO 0.55 -0.05 -0.15 0.71 0.02 0.00 0.00 175.26 176.34 1wok s TYR 989 N -0.79 1.59 -0.23 1.61 1.51 0.17 -1.48 117.35 119.72 1wok s TYR 989 Ca -0.09 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1wok s TYR 989 Cb -0.05 -1.10 0.07 0.00 -0.11 0.00 0.00 41.96 40.77 1wok s TYR 989 CO 0.00 -0.21 0.06 0.42 -1.11 0.00 0.00 175.55 174.71 1wok s ILE 990 N 0.28 0.57 0.27 2.71 1.09 -0.97 -0.13 121.20 125.00 1wok s ILE 990 Ca -0.08 -0.79 -0.02 0.00 -1.10 0.00 0.00 60.65 58.66 1wok s ILE 990 Cb -0.13 -1.19 -0.04 0.00 -1.06 0.00 0.00 42.46 40.03 1wok s ILE 990 CO 0.03 -0.37 0.49 -0.69 -0.10 0.00 0.00 174.94 174.29 1wok s VAL 991 N 1.82 5.12 -0.12 2.92 1.01 -0.93 -3.15 120.40 127.07 1wok s VAL 991 Ca 0.03 -0.23 0.17 0.00 0.00 0.00 0.00 61.98 61.94 1wok s VAL 991 Cb -0.17 -3.76 0.26 0.00 0.00 0.00 0.00 36.38 32.71 1wok s VAL 991 CO -0.15 -0.31 1.13 -1.22 0.00 0.00 0.00 175.10 174.55 1wok n TYR 992 N -1.01 0.00 -3.76 5.22 4.02 -1.26 -1.82 117.16 118.55 1wok n TYR 992 Ca -0.04 -0.93 -0.26 0.00 -0.01 0.00 0.00 57.90 56.67 1wok n TYR 992 Cb 0.54 -0.14 -0.17 0.00 -0.02 0.00 0.00 39.34 39.56 1wok n TYR 992 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wok s ASP 993 N -2.66 2.40 0.00 7.72 3.68 -1.26 -5.01 116.67 121.54 1wok s ASP 993 Ca 0.28 -0.53 0.00 0.00 2.13 0.00 0.00 52.55 54.43 1wok s ASP 993 Cb 0.25 -0.56 0.00 0.00 -1.45 0.00 0.00 42.92 41.16 1wok s ASP 993 CO 0.03 -0.26 0.83 2.30 0.13 0.00 0.00 175.17 178.20 1wok n ILE 994 N 5.08 1.36 0.08 4.11 -5.35 -1.26 -0.89 119.36 122.48 1wok n ILE 994 Ca -0.08 0.45 -0.01 0.00 -0.27 0.00 0.00 62.75 62.83 1wok n ILE 994 Cb 0.48 -1.45 -0.05 0.00 -1.74 0.00 0.00 39.64 36.88 1wok n ILE 994 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wok h ALA 995 N 1.51 0.62 0.00 -1.28 0.00 -1.95 -3.28 119.26 114.88 1wok h ALA 995 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1wok h ALA 995 Cb 0.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wok h ALA 995 CO 0.00 0.92 0.00 1.04 0.00 0.00 0.00 179.25 181.21 1wok n GLN 996 N -3.12 0.37 -4.34 0.00 6.02 -0.07 -4.17 117.38 112.07 1wok n GLN 996 Ca -0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.71 1wok n GLN 996 Cb 0.83 -1.41 -0.08 0.00 1.02 0.00 0.00 30.24 30.60 1wok n GLN 996 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wok s VAL 997 N -2.00 3.16 -0.38 5.09 0.11 -1.24 -1.19 120.40 123.95 1wok s VAL 997 Ca 0.14 -1.97 0.01 0.00 -2.93 0.00 0.00 61.98 57.23 1wok s VAL 997 Cb 0.07 -2.65 0.18 0.00 -1.53 0.00 0.00 36.38 32.45 1wok s VAL 997 CO 0.11 -0.32 0.80 0.21 -3.33 0.00 0.00 175.10 172.57 1wok s ASN 998 N -3.44 -1.06 0.48 3.54 3.84 -1.02 -4.72 114.94 112.56 1wok s ASN 998 Ca 0.30 -0.59 -0.22 0.00 0.21 0.00 0.00 52.86 52.55 1wok s ASN 998 Cb -0.07 1.35 -0.09 0.00 -0.55 0.00 0.00 41.25 41.89 1wok s ASN 998 CO 0.18 -0.11 0.89 0.18 -2.79 0.00 0.00 177.10 175.45 1wok n LEU 999 N 4.02 2.36 0.00 3.21 4.77 -1.26 -1.78 117.00 128.32 1wok n LEU 999 Ca 0.09 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1wok n LEU 999 Cb 0.59 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1wok n LEU 999 CO -0.04 -1.90 -0.33 0.29 -1.33 0.00 0.00 177.39 174.08 1wok n LYS 1000N -0.09 0.94 -4.07 3.23 4.76 -0.48 -4.79 118.16 117.68 1wok n LYS 1000Ca 0.11 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1wok n LYS 1000Cb 0.42 -0.83 -0.12 0.00 -1.84 0.00 0.00 35.03 32.66 1wok n LYS 1000CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1wok s TYR 1001N -1.67 0.61 0.04 2.13 2.02 0.12 -2.88 117.35 117.73 1wok s TYR 1001Ca 0.00 -0.45 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 1wok s TYR 1001Cb 0.00 -0.37 -0.02 0.00 -0.40 0.00 0.00 41.96 41.17 1wok s TYR 1001CO 0.00 -0.08 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.54 1wok s LEU 1002N -1.38 2.17 -0.00 -1.29 1.98 0.80 0.15 118.68 121.12 1wok s LEU 1002Ca -0.09 -0.50 -0.04 0.00 -2.89 0.00 0.00 54.13 50.61 1wok s LEU 1002Cb -0.09 -0.87 -0.00 0.00 0.66 0.00 0.00 46.19 45.89 1wok s LEU 1002CO 0.00 0.13 0.07 -0.76 -1.89 0.00 0.00 176.35 173.90 1wok s LEU 1003N -1.16 1.80 -0.13 -0.68 1.02 -0.56 0.07 118.68 119.03 1wok s LEU 1003Ca 0.06 -0.21 -0.05 0.00 0.02 0.00 0.00 54.13 53.95 1wok s LEU 1003Cb -0.08 0.41 -0.04 0.00 0.02 0.00 0.00 46.19 46.50 1wok s LEU 1003CO 0.02 -0.27 0.04 -0.75 0.02 0.00 0.00 176.35 175.41 1wok s LYS 1004N -1.08 3.48 0.05 1.70 2.20 -0.43 -2.23 119.74 123.43 1wok s LYS 1004Ca -0.12 -0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1wok s LYS 1004Cb -0.07 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1wok s LYS 1004CO 0.00 0.52 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.96 1wok s LEU 1005N -0.34 2.44 -0.03 5.43 1.02 -0.96 -0.76 118.68 125.48 1wok s LEU 1005Ca 0.08 -0.90 0.05 0.00 0.02 0.00 0.00 54.13 53.38 1wok s LEU 1005Cb -0.12 0.13 -0.02 0.00 0.02 0.00 0.00 46.19 46.20 1wok s LEU 1005CO 0.02 -0.52 -0.19 -1.59 0.02 0.00 0.00 176.35 174.09 1wok s LYS 1006N -3.41 2.33 -0.29 1.70 -2.85 -1.06 -2.32 119.74 113.84 1wok s LYS 1006Ca 0.03 -0.80 -0.09 0.00 -1.00 0.00 0.00 55.97 54.11 1wok s LYS 1006Cb 0.04 -2.24 -0.02 0.00 -2.06 0.00 0.00 37.83 33.55 1wok s LYS 1006CO -0.07 0.60 0.14 -0.06 0.10 0.00 0.00 175.35 176.06 1wok s PHE 1007N -0.69 3.16 -0.50 1.78 0.40 0.34 -2.95 117.98 119.52 1wok s PHE 1007Ca 0.11 -0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 55.91 1wok s PHE 1007Cb -0.10 -2.34 0.07 0.00 0.51 0.00 0.00 43.02 41.16 1wok s PHE 1007CO 0.00 -0.36 0.53 -0.80 0.70 0.00 0.00 175.22 175.29 1wok s ASN 1008N 1.65 6.19 0.15 1.36 0.01 0.35 -4.81 114.94 119.84 1wok s ASN 1008Ca 0.06 -1.15 -0.25 0.00 -0.71 0.00 0.00 52.86 50.80 1wok s ASN 1008Cb -0.16 -2.24 -0.08 0.00 0.41 0.00 0.00 41.25 39.18 1wok s ASN 1008CO 0.07 -0.80 0.78 -0.36 -1.51 0.00 0.00 177.10 175.28 1wok s PHE 1009N 2.18 3.89 -0.35 2.20 0.40 -1.26 0.35 117.98 125.39 1wok s PHE 1009Ca 0.10 1.62 0.07 0.00 -0.60 0.00 0.00 56.93 58.12 1wok s PHE 1009Cb -0.22 -2.78 0.49 0.00 0.51 0.00 0.00 43.02 41.02 1wok s PHE 1009CO 0.09 0.48 1.49 1.63 0.70 0.00 0.00 175.22 179.61 1wok n LYS 1010N 1.74 2.41 0.00 0.44 4.76 -0.77 -4.97 118.16 121.78 1wok n LYS 1010Ca -0.05 -3.46 0.07 0.00 -2.87 0.00 0.00 58.31 52.00 1wok n LYS 1010Cb 0.49 -2.01 0.40 0.00 -1.84 0.00 0.00 35.03 32.07 1wok n LYS 1010CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66