#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kex s VAL 680 N 0.00 5.00 0.26 -0.18 1.01 -1.26 -4.92 120.40 120.30 3kex s VAL 680 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.32 3kex s VAL 680 Cb 0.00 -4.62 -0.00 0.00 0.00 0.00 0.00 36.38 31.76 3kex s VAL 680 CO 0.00 -1.28 0.31 0.00 0.00 0.00 0.00 175.10 174.13 3kex n LEU 681 N 5.77 0.00 -3.64 3.92 -0.00 -1.26 -5.01 117.00 116.78 3kex n LEU 681 Ca 0.12 -2.24 -0.04 0.00 -0.00 0.00 0.00 56.01 53.86 3kex n LEU 681 Cb 0.47 1.67 -0.07 0.00 -0.00 0.00 0.00 43.42 45.49 3kex n LEU 681 CO 0.48 -0.46 0.63 0.00 -0.00 0.00 0.00 177.39 178.04 3kex s ALA 682 N -2.68 -2.20 0.29 1.47 0.00 -1.26 -3.23 121.76 114.15 3kex s ALA 682 Ca 0.25 2.21 -0.29 0.00 0.00 0.00 0.00 51.96 54.13 3kex s ALA 682 Cb 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.37 3kex s ALA 682 CO 0.18 -0.34 1.41 0.50 0.00 0.00 0.00 175.76 177.50 3kex s ARG 683 N 1.30 4.27 -0.09 0.00 3.52 -1.26 -4.90 118.95 121.80 3kex s ARG 683 Ca -0.08 2.31 -0.05 0.00 -0.13 0.00 0.00 55.73 57.77 3kex s ARG 683 Cb -0.04 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3kex s ARG 683 CO -0.15 -0.37 0.14 0.42 -0.81 0.00 0.00 175.30 174.54 3kex s ILE 684 N -0.47 5.40 0.19 4.11 -1.09 -1.26 -1.81 121.20 126.28 3kex s ILE 684 Ca 0.56 0.07 0.06 0.00 -2.23 0.00 0.00 60.65 59.11 3kex s ILE 684 Cb -0.42 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3kex s ILE 684 CO 0.48 0.54 0.12 -0.36 -1.23 0.00 0.00 174.94 174.48 3kex s PHE 685 N -1.10 3.05 -0.10 3.97 0.08 0.24 -4.91 117.98 119.20 3kex s PHE 685 Ca 0.18 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 3kex s PHE 685 Cb -0.12 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 3kex s PHE 685 CO 0.08 0.53 0.02 0.15 -0.10 0.00 0.00 175.22 175.89 3kex s LYS 686 N -3.29 3.14 0.32 0.44 1.02 -1.26 -4.60 119.74 115.50 3kex s LYS 686 Ca 0.31 -0.38 0.21 0.00 0.02 0.00 0.00 55.97 56.12 3kex s LYS 686 Cb -0.09 -2.87 1.12 0.00 -0.52 0.00 0.00 37.83 35.47 3kex s LYS 686 CO 0.23 0.65 1.62 -1.91 -0.92 0.00 0.00 175.35 175.02 3kex n GLU 687 N 2.31 0.13 0.20 1.68 4.07 -1.26 0.02 120.64 127.79 3kex n GLU 687 Ca -0.19 0.63 0.12 0.00 -0.06 0.00 0.00 57.16 57.67 3kex n GLU 687 Cb 0.54 -1.96 0.20 0.00 -0.06 0.00 0.00 31.44 30.15 3kex n GLU 687 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3kex h THR 688 N 0.00 0.00 0.00 6.31 1.35 -1.97 -3.23 112.91 115.37 3kex h THR 688 Ca 0.00 -0.92 -0.23 0.00 -0.55 0.00 0.00 66.41 64.72 3kex h THR 688 Cb 0.05 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 3kex h THR 688 CO 0.00 0.00 -1.54 -0.33 -0.25 0.00 0.00 175.52 173.40 3kex h GLU 689 N 0.00 0.00 -5.38 4.72 5.08 -0.63 -3.46 114.58 114.91 3kex h GLU 689 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3kex h GLU 689 Cb 0.96 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.10 3kex h GLU 689 CO 0.00 0.39 -0.46 -0.51 -1.00 0.00 0.00 179.01 177.44 3kex s LEU 690 N -5.95 4.25 -0.06 1.33 2.01 -1.11 -0.29 118.68 118.87 3kex s LEU 690 Ca -0.04 0.33 0.01 0.00 0.01 0.00 0.00 54.13 54.44 3kex s LEU 690 Cb 0.08 -2.14 0.02 0.00 0.01 0.00 0.00 46.19 44.17 3kex s LEU 690 CO 0.82 0.21 -0.05 -0.60 1.01 0.00 0.00 176.35 177.73 3kex s ARG 691 N 0.10 1.03 -0.05 1.70 3.52 -0.94 -4.86 118.95 119.45 3kex s ARG 691 Ca 0.11 -0.14 -0.24 0.00 -0.13 0.00 0.00 55.73 55.33 3kex s ARG 691 Cb -0.12 -1.04 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 3kex s ARG 691 CO 0.00 -0.11 0.72 0.15 -0.81 0.00 0.00 175.30 175.24 3kex s LYS 692 N 1.11 4.44 -0.20 5.12 1.02 -1.26 -1.13 119.74 128.84 3kex s LYS 692 Ca -0.08 0.92 -0.17 0.00 0.02 0.00 0.00 55.97 56.67 3kex s LYS 692 Cb -0.14 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 3kex s LYS 692 CO -0.01 0.10 -0.34 1.28 -0.92 0.00 0.00 175.35 175.45 3kex n LEU 693 N 3.62 1.94 -3.83 3.17 4.77 0.11 -4.94 117.00 121.84 3kex n LEU 693 Ca -0.01 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.21 3kex n LEU 693 Cb 0.51 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 3kex n LEU 693 CO 0.47 -0.08 -0.07 -1.59 -1.33 0.00 0.00 177.39 174.80 3kex s LYS 694 N -2.80 0.82 0.07 3.23 -2.85 -0.66 -5.02 119.74 112.53 3kex s LYS 694 Ca -0.31 -0.83 -0.16 0.00 -1.00 0.00 0.00 55.97 53.67 3kex s LYS 694 Cb 0.06 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 36.11 3kex s LYS 694 CO 0.44 -0.26 0.49 0.54 0.10 0.00 0.00 175.35 176.66 3kex s VAL 695 N -3.46 4.90 -0.19 1.79 0.11 -1.26 0.73 120.40 123.01 3kex s VAL 695 Ca 0.02 0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 59.97 3kex s VAL 695 Cb 0.03 -3.77 -0.21 0.00 -1.53 0.00 0.00 36.38 30.90 3kex s VAL 695 CO -0.09 0.46 0.06 0.18 -3.33 0.00 0.00 175.10 172.38 3kex n LEU 696 N 1.45 2.75 0.00 2.54 4.77 0.02 -4.81 117.00 123.72 3kex n LEU 696 Ca -0.10 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3kex n LEU 696 Cb 0.52 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3kex n LEU 696 CO 0.40 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 3kex n GLY 697 N 2.12 2.00 0.00 -0.72 0.00 -1.14 -5.02 105.19 102.44 3kex n GLY 697 Ca -0.39 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3kex n GLY 697 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kex n SER 698 N 0.00 0.00 0.00 1.61 3.41 -1.26 -0.73 113.62 116.65 3kex n SER 698 Ca 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3kex n SER 698 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kex n SER 698 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kex n GLY 699 N 5.00 1.13 0.47 5.00 0.00 -0.67 -4.81 105.19 111.30 3kex n GLY 699 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 3kex n GLY 699 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kex h VAL 700 N 0.00 0.09 -2.25 1.61 2.07 -2.00 -3.38 116.25 112.38 3kex h VAL 700 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 3kex h VAL 700 Cb 0.00 0.09 -0.36 0.00 -1.52 0.00 0.00 31.29 29.50 3kex h VAL 700 CO 0.00 0.00 -0.88 0.72 0.02 0.00 0.00 177.57 177.43 3kex s PHE 701 N -5.92 0.62 0.00 1.57 -0.12 -1.26 -4.95 117.98 107.91 3kex s PHE 701 Ca -0.18 -1.85 0.00 0.00 -0.05 0.00 0.00 56.93 54.85 3kex s PHE 701 Cb 0.05 -0.75 0.00 0.00 -0.63 0.00 0.00 43.02 41.69 3kex s PHE 701 CO 0.61 -0.88 0.00 0.41 -0.05 0.00 0.00 175.22 175.31 3kex n GLY 702 N 3.28 4.09 2.88 1.99 0.00 -1.26 -4.80 105.19 111.36 3kex n GLY 702 Ca 0.23 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 3kex n GLY 702 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kex s THR 703 N -2.00 0.99 -0.01 2.61 2.01 -0.76 -1.67 115.64 116.80 3kex s THR 703 Ca 0.00 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 3kex s THR 703 Cb 0.00 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3kex s THR 703 CO 0.00 0.20 0.57 -0.69 -0.69 0.00 0.00 174.62 174.01 3kex s VAL 704 N 1.70 4.94 0.07 3.82 1.01 0.09 -0.99 120.40 131.04 3kex s VAL 704 Ca 0.02 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.28 3kex s VAL 704 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3kex s VAL 704 CO -0.08 0.43 -0.25 -1.00 0.00 0.00 0.00 175.10 174.21 3kex s HIS 705 N -0.24 2.37 -0.01 5.22 3.76 0.12 -0.80 115.29 125.70 3kex s HIS 705 Ca 0.30 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.59 3kex s HIS 705 Cb -0.18 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 3kex s HIS 705 CO 0.16 0.22 0.75 0.21 -0.85 0.00 0.00 174.74 175.23 3kex s LYS 706 N -1.54 4.47 0.30 1.40 2.47 0.22 -1.02 119.74 126.05 3kex s LYS 706 Ca 0.13 1.00 -0.16 0.00 -1.56 0.00 0.00 55.97 55.39 3kex s LYS 706 Cb -0.10 -3.41 0.06 0.00 -1.46 0.00 0.00 37.83 32.92 3kex s LYS 706 CO 0.04 0.15 0.80 0.41 0.16 0.00 0.00 175.35 176.91 3kex n GLY 707 N 2.79 0.93 3.77 5.54 0.00 -0.56 0.06 105.19 117.73 3kex n GLY 707 Ca -0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 3kex n GLY 707 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kex s VAL 708 N -2.15 1.99 -0.20 1.61 -7.23 -0.28 0.79 120.40 114.92 3kex s VAL 708 Ca 0.17 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 3kex s VAL 708 Cb -0.04 -2.70 0.06 0.00 0.56 0.00 0.00 36.38 34.27 3kex s VAL 708 CO 0.09 0.00 0.03 0.86 -0.31 0.00 0.00 175.10 175.77 3kex s TRP 709 N -2.68 1.15 -0.52 2.82 -0.00 0.14 -2.21 118.94 117.64 3kex s TRP 709 Ca 0.34 -0.96 -0.19 0.00 -0.00 0.00 0.00 56.10 55.29 3kex s TRP 709 Cb 0.02 -1.09 0.07 0.00 -0.00 0.00 0.00 33.47 32.47 3kex s TRP 709 CO 0.19 -0.64 0.64 0.42 -0.00 0.00 0.00 176.95 177.56 3kex s ILE 710 N 1.82 4.87 1.26 5.86 1.09 0.60 -2.24 121.20 134.46 3kex s ILE 710 Ca -0.01 -0.59 -0.16 0.00 -1.10 0.00 0.00 60.65 58.79 3kex s ILE 710 Cb -0.17 -4.33 0.32 0.00 -1.06 0.00 0.00 42.46 37.21 3kex s ILE 710 CO -0.09 -0.86 0.99 -2.16 -0.10 0.00 0.00 174.94 172.72 3kex s PRO 711 N 2.63 -1.68 0.00 2.79 0.04 -1.26 -4.46 135.00 133.07 3kex s PRO 711 Ca 0.14 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.73 3kex s PRO 711 Cb -0.20 -1.49 0.09 0.00 0.04 0.00 0.00 34.50 32.94 3kex s PRO 711 CO 0.11 -4.15 0.52 -1.91 0.04 0.00 0.00 177.00 171.61 3kex n GLU 712 N -5.17 0.43 0.06 4.56 2.13 -1.26 -0.62 120.64 120.77 3kex n GLU 712 Ca 0.06 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.77 3kex n GLU 712 Cb 0.57 -1.05 -0.13 0.00 0.27 0.00 0.00 31.44 31.09 3kex n GLU 712 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3kex h GLY 713 N 2.55 0.12 -0.11 8.31 0.00 -1.97 -3.48 103.07 108.49 3kex h GLY 713 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3kex h GLY 713 CO 0.00 0.26 -0.04 1.18 0.00 0.00 0.00 176.54 177.94 3kex n GLU 714 N -3.36 -1.24 0.00 4.80 4.71 0.21 -4.92 120.64 120.84 3kex n GLU 714 Ca -0.07 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 3kex n GLU 714 Cb 0.99 -4.43 0.00 0.00 -1.01 0.00 0.00 31.44 27.00 3kex n GLU 714 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3kex n SER 715 N -0.57 0.00 -4.87 1.62 7.64 -1.26 -5.01 113.62 111.16 3kex n SER 715 Ca -0.02 0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.65 3kex n SER 715 Cb 0.35 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 3kex n SER 715 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3kex s ILE 716 N -0.01 3.81 -0.18 0.44 -5.25 -1.26 -5.10 121.20 113.64 3kex s ILE 716 Ca 0.00 -1.31 -0.03 0.00 -0.99 0.00 0.00 60.65 58.32 3kex s ILE 716 Cb 0.00 -3.27 -0.01 0.00 2.95 0.00 0.00 42.46 42.12 3kex s ILE 716 CO 0.00 -0.21 -0.06 -0.54 -1.79 0.00 0.00 174.94 172.34 3kex s LYS 717 N -3.99 3.45 -0.15 0.37 1.02 -1.26 -4.50 119.74 114.69 3kex s LYS 717 Ca 0.40 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.60 3kex s LYS 717 Cb -0.07 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3kex s LYS 717 CO 0.27 0.01 0.48 0.42 -0.92 0.00 0.00 175.35 175.60 3kex s ILE 718 N 0.94 5.17 0.07 2.17 1.09 -0.95 -4.78 121.20 124.91 3kex s ILE 718 Ca -0.01 0.92 -0.31 0.00 -1.10 0.00 0.00 60.65 60.16 3kex s ILE 718 Cb -0.15 -3.81 -0.08 0.00 -1.06 0.00 0.00 42.46 37.36 3kex s ILE 718 CO 0.01 0.28 1.67 -2.84 -0.10 0.00 0.00 174.94 173.96 3kex s PRO 719 N 0.93 4.19 0.16 2.79 0.02 -1.26 0.27 135.00 142.11 3kex s PRO 719 Ca 0.25 2.35 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 3kex s PRO 719 Cb -0.15 -3.62 -0.03 0.00 0.02 0.00 0.00 34.50 30.71 3kex s PRO 719 CO 0.10 -0.75 0.13 0.14 -0.33 0.00 0.00 177.00 176.29 3kex s VAL 720 N 2.72 0.06 -0.22 3.83 -7.23 0.24 -4.12 120.40 115.68 3kex s VAL 720 Ca 0.74 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3kex s VAL 720 Cb -0.40 -2.14 0.04 0.00 0.56 0.00 0.00 36.38 34.43 3kex s VAL 720 CO 0.33 -0.29 -0.14 0.00 -0.31 0.00 0.00 175.10 174.68 3kex s ILE 722 N 1.22 4.64 -0.12 0.00 1.01 -0.19 -1.40 121.20 126.36 3kex s ILE 722 Ca -0.01 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 3kex s ILE 722 Cb -0.16 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3kex s ILE 722 CO -0.08 -0.07 0.38 -0.75 0.00 0.00 0.00 174.94 174.41 3kex s LYS 723 N 1.60 4.20 -0.28 2.79 2.47 0.10 0.11 119.74 130.74 3kex s LYS 723 Ca 0.04 0.27 -0.05 0.00 -1.56 0.00 0.00 55.97 54.67 3kex s LYS 723 Cb -0.18 -3.39 0.01 0.00 -1.46 0.00 0.00 37.83 32.82 3kex s LYS 723 CO 0.07 0.30 0.03 0.08 0.16 0.00 0.00 175.35 175.99 3kex s VAL 724 N 0.21 3.60 -0.03 4.02 1.01 -0.17 0.15 120.40 129.19 3kex s VAL 724 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3kex s VAL 724 Cb -0.14 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3kex s VAL 724 CO 0.08 0.13 0.00 -0.63 0.00 0.00 0.00 175.10 174.68 3kex s ILE 725 N 1.44 4.20 0.08 2.22 1.09 0.75 -1.83 121.20 129.15 3kex s ILE 725 Ca 0.02 -0.48 0.03 0.00 -1.10 0.00 0.00 60.65 59.11 3kex s ILE 725 Cb -0.17 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.36 3kex s ILE 725 CO 0.00 0.45 -0.08 -1.61 -0.10 0.00 0.00 174.94 173.60 3kex s GLU 726 N -1.33 0.74 -0.81 2.79 2.02 -1.26 -0.61 118.70 120.23 3kex s GLU 726 Ca 0.17 -1.07 -0.25 0.00 0.02 0.00 0.00 54.97 53.85 3kex s GLU 726 Cb -0.11 -0.37 0.05 0.00 0.10 0.00 0.00 34.13 33.80 3kex s GLU 726 CO 0.08 0.05 1.27 0.34 0.02 0.00 0.00 175.26 177.01 3kex s ASP 727 N -2.31 6.28 0.12 -0.19 3.68 -1.26 -4.93 116.67 118.06 3kex s ASP 727 Ca 0.02 -0.88 -0.17 0.00 2.13 0.00 0.00 52.55 53.65 3kex s ASP 727 Cb -0.03 -2.53 0.04 0.00 -1.45 0.00 0.00 42.92 38.95 3kex s ASP 727 CO -0.01 -1.65 1.01 0.29 0.13 0.00 0.00 175.17 174.94 3kex n LYS 728 N 8.84 -0.23 0.00 4.34 4.76 -1.26 0.08 118.16 134.69 3kex n LYS 728 Ca 0.11 1.00 0.01 0.00 -2.87 0.00 0.00 58.31 56.56 3kex n LYS 728 Cb 0.49 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 32.23 3kex n LYS 728 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3kex n SER 729 N -4.88 0.00 -2.01 4.39 3.41 -1.26 -4.78 113.62 108.48 3kex n SER 729 Ca 0.04 0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 58.83 3kex n SER 729 Cb 0.21 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 3kex n SER 729 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kex n GLY 730 N -1.26 -0.35 0.10 5.00 0.00 0.11 -4.92 105.19 103.88 3kex n GLY 730 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 3kex n GLY 730 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kex n ARG 731 N -2.69 0.53 -4.11 1.61 1.85 -1.26 -4.99 116.66 107.60 3kex n ARG 731 Ca -0.21 0.42 -0.24 0.00 -1.00 0.00 0.00 57.85 56.82 3kex n ARG 731 Cb 0.66 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.41 3kex n ARG 731 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3kex s GLN 732 N -2.47 2.88 0.44 2.89 -0.21 -1.26 -5.13 119.66 116.80 3kex s GLN 732 Ca -0.27 -0.98 0.05 0.00 0.02 0.00 0.00 55.36 54.18 3kex s GLN 732 Cb 0.06 -2.59 -0.06 0.00 1.00 0.00 0.00 33.01 31.43 3kex s GLN 732 CO 0.43 0.44 0.02 -1.54 -2.12 0.00 0.00 175.29 172.53 3kex s SER 733 N -3.46 4.00 -0.58 5.90 1.04 -1.26 -4.47 113.70 114.87 3kex s SER 733 Ca 0.32 -1.44 0.02 0.00 0.48 0.00 0.00 55.95 55.33 3kex s SER 733 Cb -0.09 -0.10 0.40 0.00 0.10 0.00 0.00 66.02 66.33 3kex s SER 733 CO 0.24 -0.59 1.48 0.49 0.98 0.00 0.00 173.24 175.84 3kex n PHE 734 N -1.09 3.20 0.05 5.02 3.72 -0.80 -4.67 117.46 122.88 3kex n PHE 734 Ca -0.09 -2.76 -0.08 0.00 -0.05 0.00 0.00 57.45 54.47 3kex n PHE 734 Cb 0.67 -0.56 -0.12 0.00 -0.94 0.00 0.00 39.48 38.52 3kex n PHE 734 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3kex h GLN 735 N 2.65 0.01 -5.65 -1.08 1.08 -1.89 0.22 115.11 110.46 3kex h GLN 735 Ca 0.42 -0.02 -0.66 0.00 -1.45 0.00 0.00 58.65 56.93 3kex h GLN 735 Cb 0.67 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.04 3kex h GLN 735 CO 1.09 0.93 -0.46 0.00 -0.95 0.00 0.00 178.83 179.44 3kex s ALA 736 N -2.69 3.85 -0.05 3.87 0.00 -1.26 -4.67 121.76 120.81 3kex s ALA 736 Ca -0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 3kex s ALA 736 Cb 0.10 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 3kex s ALA 736 CO 0.82 0.58 0.89 0.08 0.00 0.00 0.00 175.76 178.13 3kex s VAL 737 N -0.94 4.92 0.53 0.00 1.01 -1.26 -5.04 120.40 119.62 3kex s VAL 737 Ca 0.15 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.00 3kex s VAL 737 Cb -0.12 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.08 3kex s VAL 737 CO 0.04 0.16 0.74 0.42 0.00 0.00 0.00 175.10 176.47 3kex s THR 738 N 1.15 2.67 0.20 3.92 -4.23 -1.26 -5.00 115.64 113.09 3kex s THR 738 Ca 0.46 -0.77 0.20 0.00 -1.18 0.00 0.00 61.69 60.40 3kex s THR 738 Cb -0.19 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 70.92 3kex s THR 738 CO 0.23 0.00 1.79 -2.24 -0.54 0.00 0.00 174.62 173.85 3kex h ASP 739 N 0.17 0.00 -0.36 3.99 3.04 -1.99 -3.03 116.42 118.24 3kex h ASP 739 Ca -0.40 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.23 3kex h ASP 739 Cb 1.29 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.57 3kex h ASP 739 CO 0.48 0.32 -0.38 -0.74 -2.04 0.00 0.00 179.24 176.88 3kex h HIS 740 N 0.00 1.10 -0.27 4.15 2.76 -1.97 -0.84 115.15 120.08 3kex h HIS 740 Ca -0.00 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 57.82 3kex h HIS 740 Cb 0.80 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 3kex h HIS 740 CO 0.00 1.15 0.10 0.52 -1.30 0.00 0.00 177.93 178.40 3kex h MET 741 N 0.75 0.38 -0.13 5.26 2.86 -1.93 0.26 114.93 122.38 3kex h MET 741 Ca 0.06 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 3kex h MET 741 Cb 0.97 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3kex h MET 741 CO 0.09 0.32 -0.53 -0.07 1.06 0.00 0.00 176.91 177.79 3kex h LEU 742 N 0.38 0.41 0.14 1.22 3.38 -1.35 0.17 115.31 119.66 3kex h LEU 742 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kex h LEU 742 Cb 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kex h LEU 742 CO -0.01 0.87 -0.07 0.00 0.09 0.00 0.00 178.44 179.32 3kex h ALA 743 N 1.15 -0.19 -0.15 1.53 0.00 0.43 -1.59 119.26 120.43 3kex h ALA 743 Ca 0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kex h ALA 743 Cb 1.02 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3kex h ALA 743 CO 0.09 -0.50 0.03 0.82 0.00 0.00 0.00 179.25 179.69 3kex h ILE 744 N -0.41 0.94 0.00 0.00 2.04 -1.10 -3.14 117.51 115.85 3kex h ILE 744 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kex h ILE 744 Cb 0.32 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3kex h ILE 744 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.81 3kex n GLY 745 N -1.15 -0.99 0.63 5.37 0.00 0.58 -2.74 105.19 106.89 3kex n GLY 745 Ca -0.04 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3kex n GLY 745 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kex n SER 746 N -2.25 2.36 -4.80 1.61 3.41 -0.62 -4.59 113.62 108.74 3kex n SER 746 Ca -0.00 -1.67 -0.39 0.00 -0.26 0.00 0.00 58.87 56.55 3kex n SER 746 Cb 0.09 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 3kex n SER 746 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kex s LEU 747 N -1.23 4.54 -0.23 1.04 1.43 -1.11 -4.95 118.68 118.18 3kex s LEU 747 Ca 0.19 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.59 3kex s LEU 747 Cb 0.13 -2.99 0.12 0.00 0.03 0.00 0.00 46.19 43.47 3kex s LEU 747 CO 0.19 0.25 0.42 -0.62 0.23 0.00 0.00 176.35 176.82 3kex s ASP 748 N -1.06 -0.12 -0.02 2.29 2.15 -1.26 -4.44 116.67 114.21 3kex s ASP 748 Ca 0.31 0.66 -0.14 0.00 0.43 0.00 0.00 52.55 53.81 3kex s ASP 748 Cb -0.20 1.32 0.02 0.00 -0.30 0.00 0.00 42.92 43.75 3kex s ASP 748 CO 0.21 -0.26 0.29 -2.28 -0.17 0.00 0.00 175.17 172.95 3kex s HIS 749 N 2.60 -0.17 0.51 -5.34 5.65 -1.26 -5.04 115.29 112.25 3kex s HIS 749 Ca 0.06 0.26 0.30 0.00 0.25 0.00 0.00 55.06 55.93 3kex s HIS 749 Cb -0.14 0.08 1.41 0.00 -1.18 0.00 0.00 32.58 32.76 3kex s HIS 749 CO -0.15 -0.36 1.85 0.00 -0.65 0.00 0.00 174.74 175.43 3kex h ALA 750 N 4.03 2.77 -1.14 1.58 0.00 -1.99 -2.04 119.26 122.47 3kex h ALA 750 Ca -0.30 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.99 3kex h ALA 750 Cb 1.18 0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 3kex h ALA 750 CO 0.39 -1.07 -0.39 0.72 0.00 0.00 0.00 179.25 178.90 3kex n HIS 751 N -4.31 3.12 -4.13 0.00 8.25 -1.26 -4.88 115.22 112.00 3kex n HIS 751 Ca 0.21 -2.71 -0.09 0.00 -0.26 0.00 0.00 57.72 54.87 3kex n HIS 751 Cb 0.99 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 3kex n HIS 751 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kex s ILE 752 N -5.09 0.43 -0.85 1.59 1.01 -0.77 -2.07 121.20 115.45 3kex s ILE 752 Ca 0.51 -1.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.09 3kex s ILE 752 Cb 0.42 -1.64 0.11 0.00 0.01 0.00 0.00 42.46 41.36 3kex s ILE 752 CO -0.12 -0.90 1.07 -0.69 0.00 0.00 0.00 174.94 174.31 3kex s VAL 753 N -3.80 4.61 0.53 2.92 1.01 0.15 -4.72 120.40 121.11 3kex s VAL 753 Ca 0.11 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 3kex s VAL 753 Cb 0.07 -4.75 -0.07 0.00 0.00 0.00 0.00 36.38 31.62 3kex s VAL 753 CO -0.07 -1.49 0.94 -1.14 0.00 0.00 0.00 175.10 173.34 3kex n ARG 754 N 6.88 1.05 -3.09 2.72 0.63 -1.26 -4.88 116.66 118.70 3kex n ARG 754 Ca 0.16 0.39 -0.41 0.00 -0.92 0.00 0.00 57.85 57.07 3kex n ARG 754 Cb 0.48 -2.08 -0.06 0.00 0.45 0.00 0.00 32.46 31.25 3kex n ARG 754 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3kex s LEU 755 N -1.17 4.10 0.23 6.15 2.96 -1.26 -4.40 118.68 125.29 3kex s LEU 755 Ca 0.70 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 3kex s LEU 755 Cb -0.47 -2.86 0.24 0.00 0.50 0.00 0.00 46.19 43.60 3kex s LEU 755 CO 0.52 -0.45 1.58 -0.07 -1.32 0.00 0.00 176.35 176.61 3kex h LEU 756 N 9.09 0.48 0.00 -0.68 3.38 -1.02 -3.47 115.31 123.09 3kex h LEU 756 Ca -0.26 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3kex h LEU 756 Cb 1.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kex h LEU 756 CO 0.80 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.82 3kex n GLY 757 N 0.07 0.26 3.66 0.83 0.00 -1.12 -4.46 105.19 104.43 3kex n GLY 757 Ca -0.02 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 3kex n GLY 757 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kex s LEU 758 N 0.00 3.17 -0.32 0.99 1.43 -0.75 -1.51 118.68 121.69 3kex s LEU 758 Ca 0.00 -0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3kex s LEU 758 Cb 0.00 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 44.68 3kex s LEU 758 CO 0.00 -0.09 0.17 0.00 0.23 0.00 0.00 176.35 176.66 3kex s PRO 760 N 1.55 0.80 0.00 0.00 0.02 -1.26 -2.89 135.00 133.22 3kex s PRO 760 Ca 0.14 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.27 3kex s PRO 760 Cb -0.20 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.59 3kex s PRO 760 CO -0.17 -2.64 0.00 0.41 -0.33 0.00 0.00 177.00 174.26 3kex n GLY 761 N -0.25 -2.17 0.46 0.52 0.00 0.76 -4.92 105.19 99.59 3kex n GLY 761 Ca 0.08 -1.41 0.30 0.00 0.00 0.00 0.00 46.02 44.99 3kex n GLY 761 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kex h SER 762 N 0.00 0.29 -4.29 1.61 4.64 -1.95 -2.13 113.55 111.72 3kex h SER 762 Ca 0.00 0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.87 3kex h SER 762 Cb 0.00 0.04 -0.26 0.00 -0.31 0.00 0.00 62.40 61.87 3kex h SER 762 CO 0.00 -0.01 -0.82 -0.94 -0.87 0.00 0.00 176.83 174.19 3kex s SER 763 N -4.98 2.14 0.22 4.97 1.04 -1.26 -3.25 113.70 112.58 3kex s SER 763 Ca -0.08 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 3kex s SER 763 Cb 0.26 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 66.13 3kex s SER 763 CO 0.81 0.12 1.01 -0.22 0.98 0.00 0.00 173.24 175.93 3kex s LEU 764 N -1.10 4.58 -0.25 2.42 2.96 0.22 -4.79 118.68 122.72 3kex s LEU 764 Ca 0.05 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 56.01 3kex s LEU 764 Cb -0.08 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.06 3kex s LEU 764 CO 0.01 -0.00 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.89 3kex s GLN 765 N -0.96 1.73 -0.04 1.98 -0.21 -1.14 -0.18 119.66 120.84 3kex s GLN 765 Ca 0.44 -1.15 -0.19 0.00 0.02 0.00 0.00 55.36 54.47 3kex s GLN 765 Cb -0.28 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 30.99 3kex s GLN 765 CO 0.34 -0.63 0.54 -0.51 -2.12 0.00 0.00 175.29 172.91 3kex s LEU 766 N 1.29 4.38 -0.13 2.90 1.43 0.12 -1.72 118.68 126.95 3kex s LEU 766 Ca -0.05 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 3kex s LEU 766 Cb -0.19 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.22 3kex s LEU 766 CO -0.07 0.09 -0.21 -0.69 0.23 0.00 0.00 176.35 175.70 3kex s VAL 767 N -0.01 2.18 0.25 -1.59 1.01 -0.57 0.03 120.40 121.70 3kex s VAL 767 Ca 0.29 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3kex s VAL 767 Cb -0.17 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3kex s VAL 767 CO 0.15 0.55 0.15 0.42 0.00 0.00 0.00 175.10 176.36 3kex s THR 768 N 0.63 0.14 0.68 3.92 -4.23 -0.50 -0.31 115.64 115.97 3kex s THR 768 Ca -0.11 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.23 3kex s THR 768 Cb -0.16 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.16 3kex s THR 768 CO 0.02 0.00 1.23 -1.10 -0.54 0.00 0.00 174.62 174.23 3kex s GLN 769 N -3.98 2.43 -0.21 3.99 -0.21 -1.26 0.27 119.66 120.68 3kex s GLN 769 Ca 0.38 1.84 -0.16 0.00 0.02 0.00 0.00 55.36 57.45 3kex s GLN 769 Cb 0.06 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 3kex s GLN 769 CO 0.15 -1.63 0.40 -0.47 -2.12 0.00 0.00 175.29 171.62 3kex s TYR 770 N -1.77 3.36 -0.45 0.91 5.04 -1.26 -4.29 117.35 118.89 3kex s TYR 770 Ca 0.77 0.59 -0.02 0.00 -2.44 0.00 0.00 57.07 55.97 3kex s TYR 770 Cb -0.31 -2.54 0.12 0.00 0.35 0.00 0.00 41.96 39.58 3kex s TYR 770 CO 0.41 -0.04 0.24 -0.51 -1.34 0.00 0.00 175.55 174.31 3kex s LEU 771 N 1.42 5.16 0.25 6.97 1.43 -1.26 -4.95 118.68 127.69 3kex s LEU 771 Ca 0.19 -2.27 0.19 0.00 -1.03 0.00 0.00 54.13 51.20 3kex s LEU 771 Cb -0.15 -1.81 0.94 0.00 0.03 0.00 0.00 46.19 45.21 3kex s LEU 771 CO 0.08 -0.48 1.57 -2.65 0.23 0.00 0.00 176.35 175.10 3kex n PRO 772 N 4.25 0.13 0.00 1.29 -0.02 -1.26 -2.02 135.00 137.36 3kex n PRO 772 Ca 0.01 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 3kex n PRO 772 Cb 0.40 -1.85 0.53 0.00 -0.02 0.00 0.00 33.50 32.56 3kex n PRO 772 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kex n LEU 773 N -2.11 0.00 0.00 2.45 4.77 -1.26 -5.00 117.00 115.85 3kex n LEU 773 Ca -0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3kex n LEU 773 Cb 0.08 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3kex n LEU 773 CO 0.11 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.72 3kex n GLY 774 N 0.67 -0.97 3.68 -0.72 0.00 -0.86 -4.63 105.19 102.38 3kex n GLY 774 Ca 0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 3kex n GLY 774 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kex s SER 775 N -4.54 3.11 0.28 1.61 1.04 -1.26 -2.82 113.70 111.13 3kex s SER 775 Ca 0.00 1.59 0.15 0.00 0.48 0.00 0.00 55.95 58.16 3kex s SER 775 Cb 0.00 -2.25 0.23 0.00 0.10 0.00 0.00 66.02 64.10 3kex s SER 775 CO 0.00 -2.88 1.52 0.25 0.98 0.00 0.00 173.24 173.11 3kex h LEU 776 N -1.72 0.00 0.56 2.42 6.46 0.47 -3.22 115.31 120.29 3kex h LEU 776 Ca -0.50 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.23 3kex h LEU 776 Cb 1.29 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.22 3kex h LEU 776 CO 0.52 0.55 -0.27 0.25 -0.62 0.00 0.00 178.44 178.88 3kex h LEU 777 N 0.00 -0.64 -1.33 2.25 6.46 -1.67 -1.88 115.31 118.50 3kex h LEU 777 Ca -0.01 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3kex h LEU 777 Cb 1.28 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 3kex h LEU 777 CO 0.07 -0.28 0.25 0.44 -0.62 0.00 0.00 178.44 178.30 3kex h ASP 778 N -1.03 0.00 0.00 1.25 5.19 -1.86 -2.07 116.42 117.90 3kex h ASP 778 Ca -0.08 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.30 3kex h ASP 778 Cb 0.64 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3kex h ASP 778 CO 0.13 0.00 -0.25 -0.74 -3.12 0.00 0.00 179.24 175.26 3kex h HIS 779 N 0.00 0.00 0.00 4.55 2.76 -1.45 -3.16 115.15 117.85 3kex h HIS 779 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3kex h HIS 779 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 3kex h HIS 779 CO 0.00 0.66 0.00 1.33 -1.30 0.00 0.00 177.93 178.62 3kex n VAL 780 N -4.64 0.00 -0.12 5.26 0.24 -0.75 -1.89 118.33 116.43 3kex n VAL 780 Ca -0.10 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 3kex n VAL 780 Cb 0.34 -0.53 -0.12 0.00 -1.47 0.00 0.00 33.84 32.06 3kex n VAL 780 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kex n ARG 781 N -0.78 0.66 -0.62 7.34 1.74 -1.08 -3.10 116.66 120.82 3kex n ARG 781 Ca 0.07 0.11 -0.03 0.00 -0.77 0.00 0.00 57.85 57.23 3kex n ARG 781 Cb 0.03 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.16 3kex n ARG 781 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3kex n GLN 782 N -3.13 2.75 0.00 5.56 7.27 -0.79 -4.21 117.38 124.82 3kex n GLN 782 Ca -0.42 -1.87 0.00 0.00 0.07 0.00 0.00 57.00 54.78 3kex n GLN 782 Cb 1.00 -1.87 0.00 0.00 2.41 0.00 0.00 30.24 31.79 3kex n GLN 782 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3kex n HIS 783 N 0.04 0.00 -1.19 3.69 8.25 -1.11 -5.05 115.22 119.86 3kex n HIS 783 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3kex n HIS 783 Cb 0.97 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.08 3kex n HIS 783 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kex n ARG 784 N -0.11 0.00 0.20 -0.41 5.12 -1.18 -2.13 116.66 118.16 3kex n ARG 784 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 3kex n ARG 784 Cb 0.00 0.00 0.71 0.00 -1.16 0.00 0.00 32.46 32.01 3kex n ARG 784 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3kex h GLY 785 N 0.00 0.00 0.84 -0.13 0.00 -1.97 -2.44 103.07 99.36 3kex h GLY 785 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3kex h GLY 785 CO 0.00 0.00 0.43 0.00 0.00 0.00 0.00 176.54 176.97 3kex h ALA 786 N 2.04 2.41 -2.84 3.60 0.00 -1.84 -3.41 119.26 119.22 3kex h ALA 786 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 3kex h ALA 786 Cb 0.08 0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.02 3kex h ALA 786 CO 0.00 -0.71 0.71 1.28 0.00 0.00 0.00 179.25 180.53 3kex n LEU 787 N -4.13 4.52 -4.69 0.00 4.77 -0.92 -4.90 117.00 111.65 3kex n LEU 787 Ca 0.10 1.22 -0.44 0.00 -0.03 0.00 0.00 56.01 56.86 3kex n LEU 787 Cb 0.65 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 3kex n LEU 787 CO 0.34 -0.01 1.10 0.61 -1.33 0.00 0.00 177.39 178.10 3kex n GLY 788 N 0.53 0.98 0.05 -0.72 0.00 -1.26 -4.80 105.19 99.96 3kex n GLY 788 Ca 0.02 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.60 3kex n GLY 788 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kex n PRO 789 N 2.33 0.05 0.06 1.61 -0.04 -1.26 -1.14 135.00 136.61 3kex n PRO 789 Ca 0.12 0.48 -0.16 0.00 -0.04 0.00 0.00 63.50 63.90 3kex n PRO 789 Cb 0.32 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 3kex n PRO 789 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3kex h GLN 790 N 0.00 0.50 -0.04 0.54 5.75 -1.91 -3.28 115.11 116.67 3kex h GLN 790 Ca 0.00 -0.56 -0.02 0.00 -0.15 0.00 0.00 58.65 57.92 3kex h GLN 790 Cb 0.07 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 3kex h GLN 790 CO 0.00 1.20 -0.05 -0.07 -2.65 0.00 0.00 178.83 177.26 3kex h LEU 791 N 0.27 0.11 0.00 -2.39 3.38 -1.49 -0.42 115.31 114.78 3kex h LEU 791 Ca -0.11 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3kex h LEU 791 Cb 1.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3kex h LEU 791 CO 0.18 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.50 3kex n LEU 792 N -4.75 0.00 -0.02 1.67 4.77 -1.02 0.79 117.00 118.44 3kex n LEU 792 Ca -0.08 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.02 3kex n LEU 792 Cb 0.30 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3kex n LEU 792 CO 0.35 -0.14 -0.62 0.18 -1.33 0.00 0.00 177.39 175.84 3kex n LEU 793 N -1.13 0.00 0.22 2.23 4.77 -1.19 -4.38 117.00 117.52 3kex n LEU 793 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3kex n LEU 793 Cb 0.00 0.09 0.53 0.00 -2.33 0.00 0.00 43.42 41.71 3kex n LEU 793 CO 0.00 0.09 0.92 0.78 -1.33 0.00 0.00 177.39 177.85 3kex h ASN 794 N 0.00 0.00 0.69 -1.43 -0.26 0.22 -2.07 115.58 112.73 3kex h ASN 794 Ca -0.09 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.46 3kex h ASN 794 Cb 1.15 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.37 3kex h ASN 794 CO 0.01 0.00 -1.43 -0.50 -1.06 0.00 0.00 177.43 174.44 3kex h TRP 795 N 0.00 0.00 -0.16 1.19 6.55 -0.19 -2.60 115.95 120.75 3kex h TRP 795 Ca 0.00 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.71 3kex h TRP 795 Cb 0.59 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 3kex h TRP 795 CO 0.00 0.64 -0.45 0.78 -1.05 0.00 0.00 178.44 178.36 3kex h GLY 796 N 3.68 0.42 0.44 1.49 0.00 -1.70 -1.50 103.07 105.90 3kex h GLY 796 Ca -0.18 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3kex h GLY 796 CO 0.05 0.39 -0.07 -2.08 0.00 0.00 0.00 176.54 174.84 3kex h VAL 797 N 0.32 1.00 -0.08 4.60 2.07 -1.47 -3.02 116.25 119.67 3kex h VAL 797 Ca 0.02 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3kex h VAL 797 Cb 0.92 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3kex h VAL 797 CO 0.08 0.24 -0.13 1.56 0.02 0.00 0.00 177.57 179.33 3kex h GLN 798 N -0.75 -0.17 -0.77 1.57 4.20 -1.46 -1.38 115.11 116.34 3kex h GLN 798 Ca -0.02 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.82 3kex h GLN 798 Cb 0.53 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 3kex h GLN 798 CO 0.03 -0.11 0.51 0.82 -0.67 0.00 0.00 178.83 179.40 3kex h ILE 799 N -0.18 0.89 -0.13 2.54 2.04 -1.40 -2.21 117.51 119.07 3kex h ILE 799 Ca 0.07 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 3kex h ILE 799 Cb 0.28 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3kex h ILE 799 CO -0.19 0.11 -0.52 0.00 0.00 0.00 0.00 178.15 177.56 3kex h ALA 800 N 1.62 0.88 0.14 1.87 0.00 -1.13 -2.25 119.26 120.38 3kex h ALA 800 Ca 0.37 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kex h ALA 800 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kex h ALA 800 CO -0.14 0.67 -0.07 0.87 0.00 0.00 0.00 179.25 180.59 3kex h LYS 801 N 0.28 -0.18 -0.40 0.00 1.57 -0.77 0.17 116.57 117.24 3kex h LYS 801 Ca 0.01 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 3kex h LYS 801 Cb 1.01 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 3kex h LYS 801 CO 0.09 0.23 -0.18 0.78 -0.57 0.00 0.00 179.45 179.80 3kex h GLY 802 N -0.68 0.13 1.01 3.86 0.00 -1.54 0.36 103.07 106.21 3kex h GLY 802 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kex h GLY 802 CO 0.03 -0.19 0.60 -0.33 0.00 0.00 0.00 176.54 176.65 3kex h MET 803 N -0.10 1.26 -0.82 4.80 2.86 -1.39 -0.71 114.93 120.84 3kex h MET 803 Ca 0.20 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3kex h MET 803 Cb 0.40 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3kex h MET 803 CO -0.46 0.86 0.42 -0.92 1.06 0.00 0.00 176.91 177.86 3kex h TYR 804 N 1.29 1.15 -0.13 -0.22 3.20 0.38 -1.41 116.97 121.24 3kex h TYR 804 Ca 0.34 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.21 3kex h TYR 804 Cb -0.11 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 37.76 3kex h TYR 804 CO -0.00 0.82 -0.11 -0.92 -1.64 0.00 0.00 178.16 176.31 3kex h TYR 805 N 1.15 -0.27 -0.84 -3.82 3.20 0.74 -0.38 116.97 116.75 3kex h TYR 805 Ca 0.28 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.24 3kex h TYR 805 Cb 0.08 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3kex h TYR 805 CO 0.01 -0.17 0.51 -0.07 -1.64 0.00 0.00 178.16 176.81 3kex h LEU 806 N -0.13 0.80 -0.82 2.82 3.38 -0.94 -1.29 115.31 119.12 3kex h LEU 806 Ca 0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3kex h LEU 806 Cb 0.25 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3kex h LEU 806 CO -0.20 0.50 0.51 -0.08 0.09 0.00 0.00 178.44 179.26 3kex h GLU 807 N 0.93 0.94 -0.40 1.13 4.81 -0.42 -0.05 114.58 121.53 3kex h GLU 807 Ca 0.37 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.61 3kex h GLU 807 Cb 0.20 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3kex h GLU 807 CO -0.18 0.62 0.04 0.93 -0.73 0.00 0.00 179.01 179.69 3kex h GLU 808 N 0.97 0.14 -0.80 1.92 5.08 0.09 -1.77 114.58 120.22 3kex h GLU 808 Ca 0.34 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3kex h GLU 808 Cb 0.09 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3kex h GLU 808 CO -0.14 0.10 0.11 0.72 -1.00 0.00 0.00 179.01 178.79 3kex n HIS 809 N -5.15 1.52 -1.86 4.33 8.25 -0.97 -4.90 115.22 116.43 3kex n HIS 809 Ca 0.03 -0.70 -0.20 0.00 -0.26 0.00 0.00 57.72 56.59 3kex n HIS 809 Cb 0.20 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 3kex n HIS 809 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kex n GLY 810 N 0.16 1.13 3.53 -1.41 0.00 -0.67 -4.96 105.19 102.97 3kex n GLY 810 Ca 0.23 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3kex n GLY 810 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kex s MET 811 N -4.16 3.39 0.22 1.61 0.00 -0.09 -5.00 119.30 115.28 3kex s MET 811 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 55.69 55.12 3kex s MET 811 Cb 0.00 -3.89 -0.08 0.00 0.00 0.00 0.00 34.83 30.86 3kex s MET 811 CO 0.00 -0.81 0.74 0.08 0.00 0.00 0.00 175.02 175.04 3kex s VAL 812 N 2.47 4.52 -0.18 10.11 1.01 -1.26 -4.28 120.40 132.79 3kex s VAL 812 Ca 0.18 1.38 -0.16 0.00 0.00 0.00 0.00 61.98 63.39 3kex s VAL 812 Cb -0.15 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 3kex s VAL 812 CO 0.15 0.26 0.03 1.57 0.00 0.00 0.00 175.10 177.11 3kex n HIS 813 N 0.87 0.97 -0.20 5.22 -0.00 -1.26 -3.46 115.22 117.35 3kex n HIS 813 Ca -0.03 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.57 3kex n HIS 813 Cb 0.51 -0.95 0.00 0.00 -0.12 0.00 0.00 29.99 29.42 3kex n HIS 813 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3kex n ARG 814 N -4.51 0.00 -2.74 1.57 1.74 -1.26 -3.05 116.66 108.41 3kex n ARG 814 Ca -0.21 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.78 3kex n ARG 814 Cb 0.50 -2.35 0.07 0.00 -1.02 0.00 0.00 32.46 29.66 3kex n ARG 814 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kex n ASN 815 N 0.00 -0.55 -4.73 0.55 5.15 -1.26 -5.00 115.26 109.42 3kex n ASN 815 Ca 0.00 -2.75 -0.41 0.00 -0.60 0.00 0.00 54.58 50.82 3kex n ASN 815 Cb 0.00 0.44 -0.04 0.00 -0.53 0.00 0.00 39.78 39.65 3kex n ASN 815 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kex s LEU 816 N -2.98 4.44 0.05 1.20 2.96 -1.26 -4.82 118.68 118.26 3kex s LEU 816 Ca 0.25 1.57 -0.28 0.00 -0.22 0.00 0.00 54.13 55.45 3kex s LEU 816 Cb 0.40 -3.39 0.10 0.00 0.50 0.00 0.00 46.19 43.80 3kex s LEU 816 CO -0.04 -0.08 1.12 0.00 -1.32 0.00 0.00 176.35 176.04 3kex s ALA 817 N 0.25 -1.96 0.27 5.97 0.00 -1.26 -4.78 121.76 120.26 3kex s ALA 817 Ca 0.44 0.52 0.15 0.00 0.00 0.00 0.00 51.96 53.07 3kex s ALA 817 Cb -0.21 0.45 0.66 0.00 0.00 0.00 0.00 23.12 24.03 3kex s ALA 817 CO 0.26 -1.00 1.75 0.00 0.00 0.00 0.00 175.76 176.77 3kex h ALA 818 N 2.00 1.12 0.00 0.00 0.00 -1.92 0.75 119.26 121.20 3kex h ALA 818 Ca -0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3kex h ALA 818 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kex h ALA 818 CO 0.27 0.53 -0.22 0.07 0.00 0.00 0.00 179.25 179.90 3kex h ARG 819 N 0.00 0.00 -0.90 0.00 0.11 -1.96 -2.47 114.38 109.16 3kex h ARG 819 Ca -0.00 0.00 -0.42 0.00 0.10 0.00 0.00 59.98 59.65 3kex h ARG 819 Cb 0.84 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 31.67 3kex h ARG 819 CO 0.05 0.22 0.52 0.09 0.10 0.00 0.00 179.97 180.96 3kex n ASN 820 N -3.84 4.01 -4.08 0.08 3.02 0.22 -4.77 115.26 109.90 3kex n ASN 820 Ca -0.02 -3.51 -0.26 0.00 -0.03 0.00 0.00 54.58 50.76 3kex n ASN 820 Cb 0.31 -0.81 -0.16 0.00 -0.61 0.00 0.00 39.78 38.51 3kex n ASN 820 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kex s VAL 821 N -3.22 1.34 0.10 2.41 1.01 -1.01 -2.37 120.40 118.67 3kex s VAL 821 Ca 0.56 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 62.01 3kex s VAL 821 Cb 0.47 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3kex s VAL 821 CO 0.11 0.40 -0.22 -0.76 0.00 0.00 0.00 175.10 174.63 3kex s LEU 822 N 0.43 2.47 -0.15 3.92 1.43 -0.55 0.87 118.68 127.10 3kex s LEU 822 Ca -0.12 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 3kex s LEU 822 Cb -0.15 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3kex s LEU 822 CO 0.04 0.20 0.39 -0.76 0.23 0.00 0.00 176.35 176.45 3kex s LEU 823 N -1.88 4.24 -0.12 1.79 1.02 -1.13 0.07 118.68 122.67 3kex s LEU 823 Ca 0.15 0.63 -0.14 0.00 0.02 0.00 0.00 54.13 54.78 3kex s LEU 823 Cb -0.10 -2.53 -0.05 0.00 0.02 0.00 0.00 46.19 43.53 3kex s LEU 823 CO 0.07 0.02 -0.28 1.17 0.02 0.00 0.00 176.35 177.35 3kex n LYS 824 N 3.82 0.42 -3.42 1.70 4.81 0.17 -4.38 118.16 121.28 3kex n LYS 824 Ca -0.09 0.17 -0.28 0.00 -0.87 0.00 0.00 58.31 57.24 3kex n LYS 824 Cb 0.52 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 34.29 3kex n LYS 824 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3kex s SER 825 N -5.93 6.42 0.00 3.14 0.01 -0.95 -4.93 113.70 111.46 3kex s SER 825 Ca -0.23 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.65 3kex s SER 825 Cb 0.03 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.16 3kex s SER 825 CO 0.34 -0.17 0.99 -2.65 0.41 0.00 0.00 173.24 172.17 3kex n PRO 826 N -0.93 0.00 -0.02 12.44 -0.02 -1.26 -1.04 135.00 144.17 3kex n PRO 826 Ca -0.03 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3kex n PRO 826 Cb 0.54 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 3kex n PRO 826 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kex n SER 827 N -1.49 2.19 -4.44 2.55 3.41 -1.26 -5.01 113.62 109.57 3kex n SER 827 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3kex n SER 827 Cb 0.01 1.32 -0.13 0.00 -0.26 0.00 0.00 64.21 65.15 3kex n SER 827 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kex s GLN 828 N -2.68 3.61 0.51 4.33 -1.52 -0.21 -4.89 119.66 118.81 3kex s GLN 828 Ca -0.05 -0.52 0.09 0.00 -1.95 0.00 0.00 55.36 52.92 3kex s GLN 828 Cb 0.07 -3.07 0.05 0.00 -0.22 0.00 0.00 33.01 29.83 3kex s GLN 828 CO 0.50 0.01 0.66 0.14 -0.25 0.00 0.00 175.29 176.35 3kex s VAL 829 N 0.99 2.46 -0.19 1.09 -7.23 -1.26 0.44 120.40 116.70 3kex s VAL 829 Ca 0.02 -1.05 -0.10 0.00 -1.81 0.00 0.00 61.98 59.03 3kex s VAL 829 Cb -0.14 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.36 3kex s VAL 829 CO 0.02 0.00 0.47 -1.10 -0.31 0.00 0.00 175.10 174.17 3kex s GLN 830 N -4.50 0.44 0.35 4.82 -0.21 0.11 -4.68 119.66 116.00 3kex s GLN 830 Ca 0.57 0.91 -0.28 0.00 0.02 0.00 0.00 55.36 56.57 3kex s GLN 830 Cb -0.07 0.06 -0.11 0.00 1.00 0.00 0.00 33.01 33.89 3kex s GLN 830 CO 0.35 -0.17 1.37 0.08 -2.12 0.00 0.00 175.29 174.81 3kex s VAL 831 N 1.60 2.47 0.27 1.09 1.01 -0.88 -1.48 120.40 124.48 3kex s VAL 831 Ca -0.09 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3kex s VAL 831 Cb -0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3kex s VAL 831 CO -0.14 0.11 0.15 0.00 0.00 0.00 0.00 175.10 175.22 3kex s ALA 832 N -1.11 1.71 -1.41 5.51 0.00 -1.00 0.33 121.76 125.79 3kex s ALA 832 Ca 0.50 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 3kex s ALA 832 Cb -0.42 1.22 0.03 0.00 0.00 0.00 0.00 23.12 23.95 3kex s ALA 832 CO 0.56 -0.53 1.13 -0.25 0.00 0.00 0.00 175.76 176.68 3kex n ASP 833 N -0.73 -5.95 -4.93 0.00 9.92 -1.26 -4.84 116.55 108.76 3kex n ASP 833 Ca 0.02 -0.60 -0.27 0.00 -0.53 0.00 0.00 54.79 53.40 3kex n ASP 833 Cb 0.65 -4.73 -0.03 0.00 -0.64 0.00 0.00 41.12 36.37 3kex n ASP 833 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3kex s PHE 834 N -3.32 3.48 0.00 1.24 -0.12 -1.26 -4.31 117.98 113.69 3kex s PHE 834 Ca 0.60 0.38 0.00 0.00 -0.05 0.00 0.00 56.93 57.86 3kex s PHE 834 Cb -0.28 -1.89 0.00 0.00 -0.63 0.00 0.00 43.02 40.23 3kex s PHE 834 CO 0.76 0.33 0.00 0.41 -0.05 0.00 0.00 175.22 176.67 3kex n GLY 835 N -0.79 1.43 0.30 1.99 0.00 -1.17 -4.80 105.19 102.16 3kex n GLY 835 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3kex n GLY 835 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kex h VAL 836 N 0.00 0.00 0.10 1.61 2.07 -1.79 -0.93 116.25 117.31 3kex h VAL 836 Ca 0.00 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 3kex h VAL 836 Cb 0.00 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3kex h VAL 836 CO 0.00 0.00 -1.24 0.00 0.02 0.00 0.00 177.57 176.35 3kex h ALA 837 N 1.38 0.18 0.00 1.67 0.00 -1.87 -3.23 119.26 117.39 3kex h ALA 837 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3kex h ALA 837 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kex h ALA 837 CO 0.00 1.06 0.00 -0.25 0.00 0.00 0.00 179.25 180.06 3kex n ASP 838 N -3.47 0.17 -0.73 0.00 8.00 -0.35 -2.24 116.55 117.92 3kex n ASP 838 Ca -0.08 -1.95 0.13 0.00 0.71 0.00 0.00 54.79 53.60 3kex n ASP 838 Cb 1.01 -0.08 0.26 0.00 -0.02 0.00 0.00 41.12 42.29 3kex n ASP 838 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kex n LEU 839 N -0.41 2.31 -4.17 0.64 4.77 -1.22 -4.96 117.00 113.97 3kex n LEU 839 Ca 0.00 -0.77 -0.17 0.00 -0.03 0.00 0.00 56.01 55.04 3kex n LEU 839 Cb 0.04 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 3kex n LEU 839 CO 0.00 0.39 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.25 3kex s LEU 840 N -2.04 2.32 0.24 2.23 1.02 -0.95 -5.05 118.68 116.46 3kex s LEU 840 Ca 0.31 -0.68 -0.30 0.00 0.02 0.00 0.00 54.13 53.48 3kex s LEU 840 Cb 0.20 -0.42 -0.09 0.00 0.02 0.00 0.00 46.19 45.90 3kex s LEU 840 CO 0.34 -0.15 1.31 -2.84 0.02 0.00 0.00 176.35 175.02 3kex s PRO 841 N -2.10 4.39 -0.17 1.29 0.02 -1.26 -4.91 135.00 132.26 3kex s PRO 841 Ca 0.00 2.10 -0.40 0.00 0.02 0.00 0.00 61.00 62.73 3kex s PRO 841 Cb -0.08 -3.15 -0.17 0.00 0.02 0.00 0.00 34.50 31.12 3kex s PRO 841 CO 0.02 -0.22 1.56 -2.30 -0.33 0.00 0.00 177.00 175.73 3kex n PRO 842 N 2.03 0.96 -3.41 5.54 -0.02 -1.26 -4.95 135.00 133.89 3kex n PRO 842 Ca 0.04 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 3kex n PRO 842 Cb 0.42 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 3kex n PRO 842 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kex s ASP 843 N 2.31 2.20 -0.07 2.55 2.15 -1.26 -5.03 116.67 119.51 3kex s ASP 843 Ca 0.94 -2.17 0.02 0.00 0.43 0.00 0.00 52.55 51.78 3kex s ASP 843 Cb -1.09 -0.12 0.18 0.00 -0.30 0.00 0.00 42.92 41.59 3kex s ASP 843 CO 0.61 -0.27 0.95 0.47 -0.17 0.00 0.00 175.17 176.76 3kex n ASP 844 N 3.88 2.51 -0.00 -0.34 10.43 -1.26 -3.13 116.55 128.64 3kex n ASP 844 Ca 0.15 -2.28 0.01 0.00 2.57 0.00 0.00 54.79 55.24 3kex n ASP 844 Cb 0.41 -0.56 -0.01 0.00 1.84 0.00 0.00 41.12 42.80 3kex n ASP 844 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3kex n LYS 845 N 0.14 4.24 0.13 -1.24 4.81 -1.26 -4.59 118.16 120.39 3kex n LYS 845 Ca 0.09 -0.01 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 3kex n LYS 845 Cb 0.59 -0.75 0.27 0.00 0.02 0.00 0.00 35.03 35.16 3kex n LYS 845 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3kex h GLN 846 N 0.00 0.00 -5.70 1.64 4.15 -1.97 -3.41 115.11 109.81 3kex h GLN 846 Ca 0.00 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.06 3kex h GLN 846 Cb 0.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3kex h GLN 846 CO 0.00 0.00 1.09 -0.51 -1.93 0.00 0.00 178.83 177.48 3kex s LEU 847 N -5.03 3.23 -0.42 -2.39 1.43 -1.26 -5.00 118.68 109.23 3kex s LEU 847 Ca 0.08 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 3kex s LEU 847 Cb 0.10 -2.53 0.18 0.00 0.03 0.00 0.00 46.19 43.98 3kex s LEU 847 CO 0.65 -2.88 0.71 -1.48 0.23 0.00 0.00 176.35 173.59 3kex s LEU 848 N 11.30 -1.34 0.46 1.79 0.05 -1.26 -4.64 118.68 125.03 3kex s LEU 848 Ca 0.82 -0.87 0.00 0.00 0.05 0.00 0.00 54.13 54.13 3kex s LEU 848 Cb -0.13 1.72 0.00 0.00 -2.05 0.00 0.00 46.19 45.73 3kex s LEU 848 CO 0.16 -0.13 0.00 0.35 -0.55 0.00 0.00 176.35 176.18 3kex n THR 854 N 4.00 -4.83 -0.97 5.48 -2.24 -1.26 -5.15 114.28 109.31 3kex n THR 854 Ca 0.12 2.22 -0.07 0.00 -2.27 0.00 0.00 64.05 64.05 3kex n THR 854 Cb 0.58 -3.03 0.29 0.00 -2.10 0.00 0.00 70.33 66.07 3kex n THR 854 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kex n PRO 855 N -0.69 3.63 0.24 -0.78 -0.02 -1.26 -4.89 135.00 131.23 3kex n PRO 855 Ca 0.00 -2.98 0.16 0.00 -2.02 0.00 0.00 63.50 58.66 3kex n PRO 855 Cb 0.00 -2.20 0.70 0.00 -0.02 0.00 0.00 33.50 31.98 3kex n PRO 855 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kex h ILE 856 N 2.56 0.00 0.00 4.25 2.10 -1.95 -2.71 117.51 121.76 3kex h ILE 856 Ca 0.28 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.86 3kex h ILE 856 Cb 2.33 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 39.33 3kex h ILE 856 CO 0.74 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 178.10 3kex n LYS 857 N -2.84 0.71 0.00 2.19 5.02 -1.26 -2.29 118.16 119.69 3kex n LYS 857 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kex n LYS 857 Cb 0.25 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 3kex n LYS 857 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3kex n TRP 858 N -0.41 0.00 -2.06 2.13 8.01 -1.02 -4.97 117.44 119.12 3kex n TRP 858 Ca 0.00 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.77 3kex n TRP 858 Cb 0.02 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.30 3kex n TRP 858 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3kex s MET 859 N -0.65 4.23 0.55 -0.99 -1.94 -0.97 -3.24 119.30 116.30 3kex s MET 859 Ca 0.00 2.17 -0.19 0.00 -1.71 0.00 0.00 55.69 55.96 3kex s MET 859 Cb 0.00 -3.59 -0.09 0.00 2.01 0.00 0.00 34.83 33.16 3kex s MET 859 CO 0.00 -0.67 0.62 0.00 -0.01 0.00 0.00 175.02 174.96 3kex n ALA 860 N 5.52 -0.91 -0.09 3.03 0.00 -1.26 -4.79 120.51 122.00 3kex n ALA 860 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.62 3kex n ALA 860 Cb 0.42 -1.88 0.31 0.00 0.00 0.00 0.00 19.45 18.31 3kex n ALA 860 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kex h LEU 861 N 0.42 0.65 -1.48 0.00 5.85 -1.94 -1.92 115.31 116.88 3kex h LEU 861 Ca -0.45 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 3kex h LEU 861 Cb 1.39 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3kex h LEU 861 CO 0.49 0.52 -0.26 1.05 -0.34 0.00 0.00 178.44 179.90 3kex h GLU 862 N 0.74 0.00 0.00 1.25 9.09 -1.89 -0.37 114.58 123.39 3kex h GLU 862 Ca 0.19 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.51 3kex h GLU 862 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3kex h GLU 862 CO -0.03 0.26 -0.41 0.77 0.05 0.00 0.00 179.01 179.65 3kex h SER 863 N 0.00 0.00 0.60 3.06 0.02 -1.44 0.57 113.55 116.36 3kex h SER 863 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 3kex h SER 863 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3kex h SER 863 CO 0.03 0.41 -1.36 0.40 -1.14 0.00 0.00 176.83 175.18 3kex h ILE 864 N 0.00 1.34 0.15 3.27 2.04 -1.01 -2.50 117.51 120.80 3kex h ILE 864 Ca -0.00 -2.98 -0.21 0.00 1.00 0.00 0.00 64.86 62.66 3kex h ILE 864 Cb 0.90 2.82 0.02 0.00 -0.74 0.00 0.00 36.82 39.82 3kex h ILE 864 CO 0.05 0.85 -0.96 0.45 0.00 0.00 0.00 178.15 178.54 3kex h HIS 865 N 0.06 0.59 0.00 1.37 3.86 -1.07 -3.42 115.15 116.53 3kex h HIS 865 Ca -0.17 -0.43 -0.09 0.00 -1.16 0.00 0.00 60.37 58.52 3kex h HIS 865 Cb 1.96 -0.02 -0.20 0.00 1.06 0.00 0.00 27.41 30.21 3kex h HIS 865 CO 0.05 1.37 -0.77 1.19 0.86 0.00 0.00 177.93 180.63 3kex n PHE 866 N -4.05 0.00 -3.50 2.45 3.01 0.19 -4.98 117.46 110.57 3kex n PHE 866 Ca -0.15 -0.92 -0.25 0.00 1.01 0.00 0.00 57.45 57.14 3kex n PHE 866 Cb 0.87 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 40.10 3kex n PHE 866 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kex n GLY 867 N -0.25 -0.38 3.35 1.37 0.00 -0.94 -4.83 105.19 103.51 3kex n GLY 867 Ca 0.12 0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 3kex n GLY 867 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kex s LYS 868 N -5.73 3.28 -0.21 1.61 2.20 -1.23 -4.96 119.74 114.69 3kex s LYS 868 Ca 0.48 -1.88 -0.13 0.00 -0.36 0.00 0.00 55.97 54.08 3kex s LYS 868 Cb -0.28 -4.40 -0.05 0.00 -1.51 0.00 0.00 37.83 31.60 3kex s LYS 868 CO 0.59 -1.41 0.25 0.71 -0.36 0.00 0.00 175.35 175.13 3kex s TYR 869 N 1.47 3.37 0.22 4.03 1.51 -1.26 -3.76 117.35 122.92 3kex s TYR 869 Ca 0.13 0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.59 3kex s TYR 869 Cb -0.19 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 3kex s TYR 869 CO -0.02 0.09 0.16 -0.08 -1.11 0.00 0.00 175.55 174.60 3kex s THR 870 N 0.96 0.00 0.41 -0.71 -1.32 -1.26 -4.99 115.64 108.74 3kex s THR 870 Ca 0.12 -1.97 0.12 0.00 -1.21 0.00 0.00 61.69 58.76 3kex s THR 870 Cb -0.13 -2.49 0.32 0.00 -1.51 0.00 0.00 72.50 68.69 3kex s THR 870 CO 0.05 0.00 1.97 0.45 -2.21 0.00 0.00 174.62 174.88 3kex h HIS 871 N 2.55 0.53 0.00 9.09 3.86 -1.97 -0.15 115.15 129.06 3kex h HIS 871 Ca -0.34 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 3kex h HIS 871 Cb 1.25 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3kex h HIS 871 CO 0.49 0.26 -0.13 1.04 0.86 0.00 0.00 177.93 180.44 3kex n GLN 872 N -4.48 0.26 0.07 2.45 3.00 -1.26 -2.17 117.38 115.26 3kex n GLN 872 Ca 0.10 0.19 -0.06 0.00 -0.01 0.00 0.00 57.00 57.22 3kex n GLN 872 Cb 0.34 -1.78 -0.10 0.00 0.00 0.00 0.00 30.24 28.70 3kex n GLN 872 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3kex h SER 873 N 0.00 0.00 -0.50 1.08 0.87 -1.41 -3.06 113.55 110.53 3kex h SER 873 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3kex h SER 873 Cb 0.74 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 3kex h SER 873 CO 0.00 0.95 -0.12 0.44 -0.53 0.00 0.00 176.83 177.56 3kex h ASP 874 N 0.00 0.98 -0.77 6.23 5.19 -0.99 -2.64 116.42 124.41 3kex h ASP 874 Ca -0.01 -0.36 0.06 0.00 -0.62 0.00 0.00 57.03 56.09 3kex h ASP 874 Cb 1.73 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 40.92 3kex h ASP 874 CO 0.12 1.11 0.46 0.58 -3.12 0.00 0.00 179.24 178.40 3kex h VAL 875 N 0.83 1.02 0.21 -1.35 2.07 -1.43 0.51 116.25 118.11 3kex h VAL 875 Ca 0.13 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kex h VAL 875 Cb 0.69 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3kex h VAL 875 CO 0.05 0.16 -0.45 -0.25 0.02 0.00 0.00 177.57 177.10 3kex h TRP 876 N 0.85 -1.29 -0.91 1.57 2.91 -1.43 -1.01 115.95 116.65 3kex h TRP 876 Ca 0.34 0.03 0.26 0.00 1.13 0.00 0.00 58.89 60.65 3kex h TRP 876 Cb 0.16 0.53 -0.04 0.00 -0.51 0.00 0.00 29.16 29.31 3kex h TRP 876 CO -0.05 -0.54 0.68 0.77 -1.03 0.00 0.00 178.44 178.28 3kex h SER 877 N -0.72 0.00 -0.24 2.65 0.02 -0.83 0.17 113.55 114.60 3kex h SER 877 Ca -0.02 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3kex h SER 877 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3kex h SER 877 CO -0.19 0.00 -0.22 0.22 -1.14 0.00 0.00 176.83 175.51 3kex h TYR 878 N 0.00 0.68 -0.13 3.45 3.20 0.11 -2.87 116.97 121.41 3kex h TYR 878 Ca 0.43 -0.20 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3kex h TYR 878 Cb 1.79 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.87 3kex h TYR 878 CO 0.00 0.89 -0.14 0.78 -1.64 0.00 0.00 178.16 178.05 3kex h GLY 879 N 0.28 -0.06 1.97 1.82 0.00 0.56 -0.91 103.07 106.73 3kex h GLY 879 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3kex h GLY 879 CO 0.05 -0.15 0.02 -2.08 0.00 0.00 0.00 176.54 174.38 3kex h VAL 880 N -0.17 0.02 0.15 4.60 2.07 -1.49 -1.47 116.25 119.96 3kex h VAL 880 Ca 0.09 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.29 3kex h VAL 880 Cb 0.31 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kex h VAL 880 CO -0.24 0.00 -1.62 0.74 0.02 0.00 0.00 177.57 176.48 3kex h THR 881 N 0.00 1.07 -0.40 2.57 2.02 -0.96 -2.13 112.91 115.08 3kex h THR 881 Ca 0.00 -2.68 -0.06 0.00 0.77 0.00 0.00 66.41 64.44 3kex h THR 881 Cb 0.03 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3kex h THR 881 CO -0.00 0.83 0.02 0.58 0.37 0.00 0.00 175.52 177.31 3kex h VAL 882 N 0.09 1.26 -0.06 3.16 2.07 -0.58 -1.31 116.25 120.87 3kex h VAL 882 Ca -0.28 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3kex h VAL 882 Cb 2.06 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3kex h VAL 882 CO 0.17 0.33 -0.11 -0.25 0.02 0.00 0.00 177.57 177.73 3kex h TRP 883 N 0.53 -0.34 -0.60 1.57 7.01 -1.38 0.26 115.95 123.00 3kex h TRP 883 Ca 0.11 0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.38 3kex h TRP 883 Cb 0.45 0.16 -0.11 0.00 -2.10 0.00 0.00 29.16 27.56 3kex h TRP 883 CO 0.03 -0.10 0.31 0.39 -2.79 0.00 0.00 178.44 176.28 3kex n GLU 884 N -3.21 -0.04 0.05 2.65 1.02 -0.80 -0.17 120.64 120.14 3kex n GLU 884 Ca -0.01 0.83 -0.02 0.00 -0.02 0.00 0.00 57.16 57.94 3kex n GLU 884 Cb 0.07 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 3kex n GLU 884 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3kex h LEU 885 N 0.00 -0.12 -2.07 -4.62 5.85 0.60 0.18 115.31 115.12 3kex h LEU 885 Ca 0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.22 3kex h LEU 885 Cb 1.33 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 3kex h LEU 885 CO -0.46 -0.01 -0.05 0.24 -0.34 0.00 0.00 178.44 177.81 3kex h MET 886 N -0.29 0.00 0.00 1.25 2.86 -0.10 0.43 114.93 119.09 3kex h MET 886 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kex h MET 886 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3kex h MET 886 CO 0.02 0.05 0.00 -2.37 1.06 0.00 0.00 176.91 175.67 3kex n THR 887 N -4.19 0.00 -2.60 2.22 5.66 0.76 -4.70 114.28 111.42 3kex n THR 887 Ca -0.03 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 3kex n THR 887 Cb 0.13 -0.32 -0.00 0.00 -1.55 0.00 0.00 70.33 68.59 3kex n THR 887 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3kex n PHE 888 N -0.75 -1.42 -0.30 1.09 3.72 0.15 -3.47 117.46 116.48 3kex n PHE 888 Ca 0.10 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3kex n PHE 888 Cb 0.05 -3.24 0.00 0.00 -0.94 0.00 0.00 39.48 35.35 3kex n PHE 888 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kex n GLY 889 N -0.97 0.85 3.82 1.37 0.00 0.61 -3.94 105.19 106.93 3kex n GLY 889 Ca -0.15 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3kex n GLY 889 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kex s ALA 890 N -1.87 3.68 -0.16 4.61 0.00 -1.23 -4.97 121.76 121.83 3kex s ALA 890 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 3kex s ALA 890 Cb 0.00 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 3kex s ALA 890 CO 0.00 0.41 1.37 -2.00 0.00 0.00 0.00 175.76 175.54 3kex s GLU 891 N -0.79 4.16 0.36 0.00 -6.30 -1.26 -4.71 118.70 110.16 3kex s GLU 891 Ca 0.23 1.72 -0.28 0.00 -2.50 0.00 0.00 54.97 54.14 3kex s GLU 891 Cb -0.16 -3.84 -0.11 0.00 0.00 0.00 0.00 34.13 30.02 3kex s GLU 891 CO 0.12 -0.82 1.44 -2.14 0.02 0.00 0.00 175.26 173.88 3kex s PRO 892 N 3.76 4.18 -1.25 4.30 0.02 -1.26 -2.77 135.00 141.98 3kex s PRO 892 Ca 0.60 2.47 -0.03 0.00 0.02 0.00 0.00 61.00 64.06 3kex s PRO 892 Cb -0.24 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3kex s PRO 892 CO 0.19 -0.44 1.06 0.66 -0.33 0.00 0.00 177.00 178.14 3kex n TYR 893 N 0.66 -2.41 -0.28 6.54 4.02 -1.26 -4.88 117.16 119.55 3kex n TYR 893 Ca 0.01 0.96 0.08 0.00 -0.01 0.00 0.00 57.90 58.94 3kex n TYR 893 Cb 0.40 -5.07 0.22 0.00 -0.02 0.00 0.00 39.34 34.87 3kex n TYR 893 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kex h ALA 894 N 0.94 1.20 -0.16 -0.72 0.00 -1.94 -2.24 119.26 116.34 3kex h ALA 894 Ca -0.58 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kex h ALA 894 Cb 1.35 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3kex h ALA 894 CO 0.52 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3kex n GLY 895 N -1.33 3.25 3.96 0.00 0.00 -1.26 -5.03 105.19 104.78 3kex n GLY 895 Ca 0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3kex n GLY 895 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kex s LEU 896 N -1.43 2.93 -0.08 0.99 1.43 -0.84 -5.10 118.68 116.58 3kex s LEU 896 Ca 0.17 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3kex s LEU 896 Cb 0.12 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3kex s LEU 896 CO 0.07 -1.83 0.05 0.00 0.23 0.00 0.00 176.35 174.88 3kex s ARG 897 N -5.24 3.12 0.34 1.70 1.70 -1.26 -5.02 118.95 114.28 3kex s ARG 897 Ca 0.64 -0.35 0.06 0.00 -0.47 0.00 0.00 55.73 55.62 3kex s ARG 897 Cb -0.07 -2.91 0.72 0.00 -0.57 0.00 0.00 34.95 32.11 3kex s ARG 897 CO 0.45 0.71 1.90 -0.07 -1.08 0.00 0.00 175.30 177.21 3kex h LEU 898 N 4.90 0.73 -1.35 -1.89 4.07 -1.99 -0.38 115.31 119.41 3kex h LEU 898 Ca -0.52 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.43 3kex h LEU 898 Cb 1.20 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 3kex h LEU 898 CO 0.57 0.42 -0.18 0.00 -1.08 0.00 0.00 178.44 178.17 3kex h ALA 899 N 1.58 1.07 0.00 1.53 0.00 -2.04 -2.41 119.26 118.98 3kex h ALA 899 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kex h ALA 899 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kex h ALA 899 CO -0.17 0.22 -0.30 1.49 0.00 0.00 0.00 179.25 180.48 3kex h GLU 900 N 0.00 0.00 -0.71 0.00 4.57 -1.49 -3.35 114.58 113.60 3kex h GLU 900 Ca -0.00 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 3kex h GLU 900 Cb 0.63 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 3kex h GLU 900 CO 0.02 0.00 0.37 0.28 -1.18 0.00 0.00 179.01 178.50 3kex h VAL 901 N 0.00 0.88 -0.14 0.32 2.07 -1.15 -1.48 116.25 116.74 3kex h VAL 901 Ca 0.00 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3kex h VAL 901 Cb 0.97 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kex h VAL 901 CO 0.00 0.12 -0.17 -0.65 0.02 0.00 0.00 177.57 176.89 3kex h PRO 902 N 0.64 0.37 0.83 1.57 0.11 -1.72 -2.88 132.00 130.91 3kex h PRO 902 Ca 0.34 -0.20 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3kex h PRO 902 Cb 0.33 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3kex h PRO 902 CO -0.25 0.77 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.40 3kex h ASP 903 N -0.01 -1.15 -0.78 -2.05 5.19 -1.68 0.65 116.42 116.60 3kex h ASP 903 Ca 0.02 0.06 0.16 0.00 -0.62 0.00 0.00 57.03 56.65 3kex h ASP 903 Cb 0.71 0.32 -0.11 0.00 0.18 0.00 0.00 39.33 40.44 3kex h ASP 903 CO 0.04 -0.74 0.28 0.17 -3.12 0.00 0.00 179.24 175.86 3kex h LEU 904 N -1.20 0.20 -0.37 1.55 8.10 -1.41 0.40 115.31 122.58 3kex h LEU 904 Ca -0.11 0.13 -0.05 0.00 0.11 0.00 0.00 57.88 57.96 3kex h LEU 904 Cb 0.95 0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 41.28 3kex h LEU 904 CO 0.14 0.04 0.04 0.25 -4.11 0.00 0.00 178.44 174.80 3kex h LEU 905 N 0.38 0.60 -1.83 0.17 5.85 -1.25 -1.25 115.31 117.99 3kex h LEU 905 Ca 0.44 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3kex h LEU 905 Cb 0.73 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3kex h LEU 905 CO -0.46 0.72 0.20 -0.08 -0.34 0.00 0.00 178.44 178.48 3kex h GLU 906 N 0.46 0.21 0.00 1.25 4.81 0.21 0.28 114.58 121.80 3kex h GLU 906 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kex h GLU 906 Cb 0.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3kex h GLU 906 CO 0.01 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 180.06 3kex n LYS 907 N -4.49 0.75 -0.31 1.92 5.02 0.12 -4.88 118.16 116.29 3kex n LYS 907 Ca 0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3kex n LYS 907 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3kex n LYS 907 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kex n GLY 908 N 0.85 0.79 3.61 0.72 0.00 0.99 -5.05 105.19 107.11 3kex n GLY 908 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kex n GLY 908 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kex s GLU 909 N -0.69 3.92 0.60 1.61 8.01 -0.71 -5.00 118.70 126.44 3kex s GLU 909 Ca 0.00 0.55 0.05 0.00 0.01 0.00 0.00 54.97 55.58 3kex s GLU 909 Cb 0.00 -3.75 0.11 0.00 -4.31 0.00 0.00 34.13 26.18 3kex s GLU 909 CO 0.00 -0.74 0.82 0.54 0.01 0.00 0.00 175.26 175.89 3kex n ARG 910 N 6.31 0.35 -1.81 1.61 5.12 -1.26 -3.96 116.66 123.02 3kex n ARG 910 Ca 0.04 -2.77 -0.35 0.00 -1.93 0.00 0.00 57.85 52.84 3kex n ARG 910 Cb 0.48 -0.38 0.05 0.00 -1.16 0.00 0.00 32.46 31.45 3kex n ARG 910 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kex s LEU 911 N 0.00 3.52 0.92 0.55 1.43 -1.26 -5.01 118.68 118.82 3kex s LEU 911 Ca 0.59 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.85 3kex s LEU 911 Cb -0.04 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.75 3kex s LEU 911 CO 0.38 -1.78 1.22 0.00 0.23 0.00 0.00 176.35 176.40 3kex s ALA 912 N -1.85 2.14 -0.12 4.21 0.00 -1.26 -5.00 121.76 119.88 3kex s ALA 912 Ca 0.74 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 3kex s ALA 912 Cb -0.28 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 3kex s ALA 912 CO 0.38 -2.24 0.97 -1.14 0.00 0.00 0.00 175.76 173.72 3kex s GLN 913 N -5.61 4.40 0.71 0.00 0.74 -1.26 -5.03 119.66 113.61 3kex s GLN 913 Ca 0.67 1.32 -0.16 0.00 0.05 0.00 0.00 55.36 57.24 3kex s GLN 913 Cb -0.09 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.50 3kex s GLN 913 CO 0.52 -0.31 1.26 -2.30 -0.55 0.00 0.00 175.29 173.92 3kex n PRO 914 N 5.01 0.77 0.00 1.67 -0.02 -1.26 -4.88 135.00 136.30 3kex n PRO 914 Ca 0.08 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 3kex n PRO 914 Cb 0.49 -2.50 0.31 0.00 -0.02 0.00 0.00 33.50 31.77 3kex n PRO 914 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kex n GLN 915 N -2.43 0.97 0.00 -0.52 10.64 -1.26 -2.94 117.38 121.84 3kex n GLN 915 Ca 0.15 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.34 3kex n GLN 915 Cb 0.49 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.71 3kex n GLN 915 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3kex n ILE 916 N -0.67 0.00 -3.60 -0.39 -5.35 -1.26 -4.89 119.36 103.21 3kex n ILE 916 Ca 0.08 -0.47 -0.36 0.00 -0.27 0.00 0.00 62.75 61.72 3kex n ILE 916 Cb 0.04 1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.91 3kex n ILE 916 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kex s THR 918 N 0.69 1.93 -2.00 0.00 -4.23 -0.51 -4.83 115.64 106.69 3kex s THR 918 Ca 0.13 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.82 3kex s THR 918 Cb -0.13 -2.11 0.53 0.00 1.34 0.00 0.00 72.50 72.13 3kex s THR 918 CO 0.03 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 175.67 3kex n ILE 919 N -4.95 0.00 -0.01 2.99 3.06 -1.26 -2.75 119.36 116.45 3kex n ILE 919 Ca 0.04 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.07 3kex n ILE 919 Cb 0.55 -0.53 -0.14 0.00 0.54 0.00 0.00 39.64 40.07 3kex n ILE 919 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3kex h ASP 920 N 0.00 0.36 1.25 9.51 3.32 -1.90 -2.98 116.42 125.97 3kex h ASP 920 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 3kex h ASP 920 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3kex h ASP 920 CO 0.00 1.77 0.00 0.58 -1.72 0.00 0.00 179.24 179.87 3kex h VAL 921 N -0.15 0.00 0.00 -1.35 2.07 -1.78 -2.94 116.25 112.10 3kex h VAL 921 Ca -0.39 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3kex h VAL 921 Cb 1.89 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3kex h VAL 921 CO 0.04 0.00 -1.44 0.00 0.02 0.00 0.00 177.57 176.19 3kex n TYR 922 N -2.60 0.22 0.09 1.57 9.36 -1.13 -4.19 117.16 120.48 3kex n TYR 922 Ca 0.03 0.06 -0.07 0.00 3.32 0.00 0.00 57.90 61.25 3kex n TYR 922 Cb 0.36 -0.48 0.01 0.00 -0.63 0.00 0.00 39.34 38.60 3kex n TYR 922 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3kex h MET 923 N 0.00 0.12 -0.44 2.98 2.86 -1.35 -2.93 114.93 116.17 3kex h MET 923 Ca 0.00 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 3kex h MET 923 Cb 0.85 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3kex h MET 923 CO 0.00 0.89 -0.06 -0.24 1.06 0.00 0.00 176.91 178.56 3kex h VAL 924 N 0.07 1.25 -0.55 -2.22 3.04 -1.72 -2.57 116.25 113.55 3kex h VAL 924 Ca -0.03 -1.08 -0.09 0.00 -1.01 0.00 0.00 66.70 64.49 3kex h VAL 924 Cb 1.46 0.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 3kex h VAL 924 CO 0.12 0.37 -0.03 0.24 -1.01 0.00 0.00 177.57 177.26 3kex h MET 925 N 0.70 0.97 0.00 4.17 2.07 -1.72 -2.80 114.93 118.32 3kex h MET 925 Ca 0.13 -0.31 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 3kex h MET 925 Cb 0.52 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.15 3kex h MET 925 CO 0.03 0.98 -0.29 0.28 1.07 0.00 0.00 176.91 178.98 3kex h VAL 926 N 0.89 1.13 -0.37 -2.22 2.07 -1.30 -2.08 116.25 114.37 3kex h VAL 926 Ca 0.16 -1.01 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 3kex h VAL 926 Cb 0.56 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3kex h VAL 926 CO 0.03 0.28 -0.31 0.11 0.02 0.00 0.00 177.57 177.70 3kex h LYS 927 N 0.00 0.86 -0.56 1.57 1.57 -1.27 -2.64 116.57 116.10 3kex h LYS 927 Ca -0.00 -0.43 0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3kex h LYS 927 Cb 0.53 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3kex h LYS 927 CO 0.04 1.07 0.39 0.00 -0.57 0.00 0.00 179.45 180.38 3kex n TRP 929 N -4.42 0.47 -1.59 0.00 8.01 -1.10 -3.38 117.44 115.43 3kex n TRP 929 Ca 0.10 -0.25 -0.47 0.00 -1.31 0.00 0.00 57.50 55.57 3kex n TRP 929 Cb 0.53 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.78 3kex n TRP 929 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.69 176.56 3kex n MET 930 N 1.41 1.84 -0.38 -0.99 1.56 -0.41 -4.83 117.12 115.31 3kex n MET 930 Ca 0.18 0.59 0.32 0.00 -0.27 0.00 0.00 57.70 58.51 3kex n MET 930 Cb 0.58 -2.81 0.58 0.00 2.15 0.00 0.00 33.22 33.73 3kex n MET 930 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 3kex h ILE 931 N 6.48 0.16 -3.59 1.12 2.04 -1.91 -3.37 117.51 118.45 3kex h ILE 931 Ca -0.40 -0.05 -0.56 0.00 1.00 0.00 0.00 64.86 64.85 3kex h ILE 931 Cb 1.27 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3kex h ILE 931 CO 0.97 0.03 0.96 -0.62 0.00 0.00 0.00 178.15 179.49 3kex s ASP 932 N -4.64 6.56 0.24 1.72 -1.08 -1.26 -4.91 116.67 113.31 3kex s ASP 932 Ca -0.09 0.47 -0.08 0.00 -0.52 0.00 0.00 52.55 52.33 3kex s ASP 932 Cb 0.31 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 39.63 3kex s ASP 932 CO 0.80 -1.32 1.62 -0.33 0.52 0.00 0.00 175.17 176.47 3kex h GLU 933 N 9.52 0.06 0.00 4.34 3.07 -1.93 0.13 114.58 129.76 3kex h GLU 933 Ca -0.24 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3kex h GLU 933 Cb 1.07 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3kex h GLU 933 CO 1.13 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 178.87 3kex n ASN 934 N -5.41 0.00 -0.07 1.42 3.02 -1.26 -2.32 115.26 110.64 3kex n ASN 934 Ca 0.13 0.34 -0.17 0.00 -0.03 0.00 0.00 54.58 54.85 3kex n ASN 934 Cb 0.46 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.09 3kex n ASN 934 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3kex n ILE 935 N -1.40 1.57 -1.57 2.41 2.08 0.44 -4.96 119.36 117.94 3kex n ILE 935 Ca 0.04 -0.67 -0.42 0.00 0.56 0.00 0.00 62.75 62.26 3kex n ILE 935 Cb 0.10 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 3kex n ILE 935 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3kex n ARG 936 N -3.22 1.14 -1.97 0.38 1.74 -0.98 -4.89 116.66 108.86 3kex n ARG 936 Ca -0.37 0.41 -0.39 0.00 -0.77 0.00 0.00 57.85 56.73 3kex n ARG 936 Cb 1.04 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 30.64 3kex n ARG 936 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3kex s PRO 937 N -1.79 3.68 0.61 5.56 0.02 -1.26 -5.00 135.00 136.81 3kex s PRO 937 Ca 0.62 2.17 -0.17 0.00 0.02 0.00 0.00 61.00 63.65 3kex s PRO 937 Cb -0.61 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 3kex s PRO 937 CO 0.58 -0.74 1.13 0.95 -0.33 0.00 0.00 177.00 178.59 3kex s THR 938 N -1.30 3.11 0.60 0.99 -4.23 -1.26 -4.83 115.64 108.71 3kex s THR 938 Ca 0.62 0.59 0.31 0.00 -1.18 0.00 0.00 61.69 62.03 3kex s THR 938 Cb -0.38 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.67 3kex s THR 938 CO 0.48 -0.24 2.15 -0.26 -0.54 0.00 0.00 174.62 176.21 3kex h PHE 939 N 0.51 0.00 0.34 3.99 -1.00 -1.95 0.03 116.94 118.88 3kex h PHE 939 Ca -0.48 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.28 3kex h PHE 939 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3kex h PHE 939 CO 0.52 0.00 -0.16 -0.22 -1.61 0.00 0.00 178.31 176.84 3kex h LYS 940 N 0.00 -0.44 0.11 1.51 1.63 -1.90 0.23 116.57 117.70 3kex h LYS 940 Ca 0.05 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3kex h LYS 940 Cb 0.34 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 3kex h LYS 940 CO -0.00 -0.26 -0.18 0.93 -3.45 0.00 0.00 179.45 176.49 3kex h GLU 941 N -0.51 -0.34 -0.87 1.90 5.08 -1.48 -1.84 114.58 116.52 3kex h GLU 941 Ca -0.05 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 3kex h GLU 941 Cb 0.38 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 3kex h GLU 941 CO 0.08 -0.22 0.57 -0.07 -1.00 0.00 0.00 179.01 178.36 3kex h LEU 942 N -0.35 0.49 -0.68 1.33 3.38 -0.94 0.84 115.31 119.37 3kex h LEU 942 Ca 0.02 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3kex h LEU 942 Cb 0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3kex h LEU 942 CO -0.09 0.22 -0.63 0.00 0.09 0.00 0.00 178.44 178.04 3kex h ALA 943 N 1.62 0.89 -0.04 1.53 0.00 -0.02 -3.06 119.26 120.17 3kex h ALA 943 Ca 0.45 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kex h ALA 943 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kex h ALA 943 CO -0.18 0.76 -0.16 -0.91 0.00 0.00 0.00 179.25 178.77 3kex h ASN 944 N 0.09 0.21 0.64 0.00 -0.26 -0.05 -2.78 115.58 113.43 3kex h ASN 944 Ca -0.01 -0.63 -0.03 0.00 -0.56 0.00 0.00 56.30 55.08 3kex h ASN 944 Cb 1.13 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 38.32 3kex h ASN 944 CO 0.09 0.81 -0.38 -0.33 -1.06 0.00 0.00 177.43 176.55 3kex h GLU 945 N -0.37 -0.93 0.00 0.81 5.08 -1.40 -2.04 114.58 115.73 3kex h GLU 945 Ca -0.01 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kex h GLU 945 Cb 0.79 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3kex h GLU 945 CO 0.03 -0.62 -0.01 0.74 -1.00 0.00 0.00 179.01 178.15 3kex h PHE 946 N -0.97 0.00 0.14 4.33 0.04 -1.66 0.44 116.94 119.25 3kex h PHE 946 Ca -0.08 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.41 3kex h PHE 946 Cb 0.78 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.94 3kex h PHE 946 CO -0.09 0.01 -1.25 0.00 -0.60 0.00 0.00 178.31 176.38 3kex h THR 947 N 0.00 1.41 0.00 -1.55 1.03 -1.15 -2.38 112.91 110.28 3kex h THR 947 Ca -0.00 -2.82 -0.23 0.00 -0.01 0.00 0.00 66.41 63.34 3kex h THR 947 Cb 0.05 2.86 -0.04 0.00 -1.07 0.00 0.00 68.15 69.95 3kex h THR 947 CO 0.00 0.83 -1.26 0.08 -0.01 0.00 0.00 175.52 175.17 3kex h ARG 948 N 0.14 0.00 0.00 0.00 0.11 -0.65 -3.12 114.38 110.85 3kex h ARG 948 Ca -0.16 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.90 3kex h ARG 948 Cb 1.95 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.02 3kex h ARG 948 CO 0.22 0.75 -0.10 0.52 0.10 0.00 0.00 179.97 181.46 3kex h MET 949 N 0.00 0.00 -0.00 0.08 2.86 -0.24 -2.24 114.93 115.39 3kex h MET 949 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3kex h MET 949 Cb 1.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 3kex h MET 949 CO 0.10 0.10 -0.01 0.00 1.06 0.00 0.00 176.91 178.17 3kex n ALA 950 N -2.22 2.66 0.18 6.32 0.00 -0.90 -3.28 120.51 123.28 3kex n ALA 950 Ca -0.01 -0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.27 3kex n ALA 950 Cb 0.26 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.37 3kex n ALA 950 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kex h ARG 951 N 0.42 0.00 -2.09 0.00 3.08 -1.49 -3.38 114.38 110.92 3kex h ARG 951 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3kex h ARG 951 Cb 0.14 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 29.83 3kex h ARG 951 CO 0.00 0.19 -0.93 -0.25 -1.07 0.00 0.00 179.97 177.91 3kex n ASP 952 N -3.14 -0.79 -0.12 7.04 8.00 -1.21 -5.05 116.55 121.29 3kex n ASP 952 Ca 0.03 -2.51 -0.07 0.00 0.71 0.00 0.00 54.79 52.95 3kex n ASP 952 Cb 0.61 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 3kex n ASP 952 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3kex h PRO 953 N 5.25 -0.23 0.00 -0.24 0.11 -1.75 -1.41 132.00 133.72 3kex h PRO 953 Ca 0.20 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3kex h PRO 953 Cb 0.93 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kex h PRO 953 CO 0.34 -0.16 -0.06 -1.35 -0.21 0.00 0.00 178.00 176.56 3kex h PRO 954 N -0.24 0.00 0.00 1.05 0.11 -1.90 -0.62 132.00 130.40 3kex h PRO 954 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kex h PRO 954 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3kex h PRO 954 CO -0.54 0.06 0.00 -0.09 -0.21 0.00 0.00 178.00 177.22 3kex h ARG 955 N 0.00 0.00 0.00 1.05 2.43 -1.62 -3.22 114.38 113.01 3kex h ARG 955 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kex h ARG 955 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3kex h ARG 955 CO 0.01 0.00 -0.90 0.66 -1.51 0.00 0.00 179.97 178.23 3kex n TYR 956 N -2.75 0.00 -5.23 2.20 4.02 -1.03 -4.93 117.16 109.45 3kex n TYR 956 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 3kex n TYR 956 Cb 0.19 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.36 3kex n TYR 956 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3kex s LEU 957 N -2.97 2.17 -0.29 7.72 1.43 -0.27 -1.43 118.68 125.04 3kex s LEU 957 Ca 0.00 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3kex s LEU 957 Cb 0.00 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 44.93 3kex s LEU 957 CO 0.00 0.30 0.07 -0.69 0.23 0.00 0.00 176.35 176.26 3kex s VAL 958 N -0.51 1.08 -0.30 -1.59 1.01 0.84 -4.18 120.40 116.74 3kex s VAL 958 Ca 0.07 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 3kex s VAL 958 Cb -0.11 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3kex s VAL 958 CO 0.00 -0.54 0.27 0.27 0.00 0.00 0.00 175.10 175.10 3kex s ILE 959 N 1.53 5.25 -0.41 2.22 -4.36 -1.26 -4.38 121.20 119.79 3kex s ILE 959 Ca 0.07 0.13 -0.42 0.00 -0.26 0.00 0.00 60.65 60.17 3kex s ILE 959 Cb -0.18 -3.66 -0.17 0.00 1.25 0.00 0.00 42.46 39.70 3kex s ILE 959 CO -0.19 0.10 1.93 0.29 0.24 0.00 0.00 174.94 177.31 3kex n LYS 960 N 5.19 0.55 0.22 0.37 5.02 -1.26 -4.79 118.16 123.46 3kex n LYS 960 Ca -0.12 0.18 0.15 0.00 -2.02 0.00 0.00 58.31 56.50 3kex n LYS 960 Cb 0.51 -1.87 0.52 0.00 -0.02 0.00 0.00 35.03 34.16 3kex n LYS 960 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kex h ARG 961 N 8.39 0.00 -4.81 1.97 2.43 -1.96 -3.46 114.38 116.95 3kex h ARG 961 Ca -0.31 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.47 3kex h ARG 961 Cb 1.36 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.77 3kex h ARG 961 CO 1.02 0.00 -0.55 -1.21 -1.51 0.00 0.00 179.97 177.72 3kex s GLU 962 N -3.46 1.55 0.61 0.20 0.41 -1.26 -5.16 118.70 111.59 3kex s GLU 962 Ca 0.04 -1.87 -0.13 0.00 -0.41 0.00 0.00 54.97 52.60 3kex s GLU 962 Cb 0.08 0.14 -0.04 0.00 -1.78 0.00 0.00 34.13 32.54 3kex s GLU 962 CO 0.55 -0.50 1.03 0.45 -0.49 0.00 0.00 175.26 176.29 3kex s SER 963 N -3.32 6.10 0.51 -0.19 0.15 -1.26 -4.91 113.70 110.77 3kex s SER 963 Ca 0.38 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.56 3kex s SER 963 Cb 0.05 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3kex s SER 963 CO 0.19 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.29 3kex n GLY 964 N -2.18 -2.89 0.00 9.45 0.00 -1.26 -4.93 105.19 103.38 3kex n GLY 964 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3kex n GLY 964 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kex n PRO 965 N -4.21 0.25 0.00 1.61 -0.04 -1.26 -5.03 135.00 126.32 3kex n PRO 965 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3kex n PRO 965 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 3kex n PRO 965 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kex n GLY 966 N 1.30 3.80 3.38 0.55 0.00 -1.26 -5.08 105.19 107.87 3kex n GLY 966 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 3kex n GLY 966 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kex n ILE 967 N -1.13 -7.59 -2.81 -0.61 5.41 -1.26 -4.99 119.36 106.38 3kex n ILE 967 Ca 0.00 -0.43 -0.32 0.00 1.00 0.00 0.00 62.75 62.99 3kex n ILE 967 Cb 0.00 -5.42 -0.05 0.00 -0.71 0.00 0.00 39.64 33.45 3kex n ILE 967 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kex s ALA 968 N -3.12 3.17 0.26 -1.39 0.00 -1.26 -5.02 121.76 114.40 3kex s ALA 968 Ca 0.14 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 3kex s ALA 968 Cb -0.04 -2.96 -0.12 0.00 0.00 0.00 0.00 23.12 20.00 3kex s ALA 968 CO 0.81 0.07 1.61 -0.35 0.00 0.00 0.00 175.76 177.89 3kex n PRO 969 N -0.91 2.61 -1.54 0.00 -0.04 -1.26 -4.80 135.00 129.06 3kex n PRO 969 Ca 0.05 0.93 -0.30 0.00 -0.04 0.00 0.00 63.50 64.15 3kex n PRO 969 Cb 0.54 -2.72 -0.08 0.00 -0.04 0.00 0.00 33.50 31.20 3kex n PRO 969 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kex n GLY 970 N 2.68 -0.09 3.05 0.55 0.00 -1.26 -4.93 105.19 105.18 3kex n GLY 970 Ca 0.11 0.59 -0.28 0.00 0.00 0.00 0.00 46.02 46.45 3kex n GLY 970 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kex n PRO 971 N 8.52 -3.81 -3.47 1.61 -0.02 -1.26 -5.07 135.00 131.50 3kex n PRO 971 Ca 0.48 -1.47 -0.03 0.00 -2.02 0.00 0.00 63.50 60.46 3kex n PRO 971 Cb 0.38 -1.61 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 3kex n PRO 971 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kex s GLU 972 N -5.08 0.47 0.00 -0.52 2.02 -1.26 -5.17 118.70 109.15 3kex s GLU 972 Ca 0.63 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.69 3kex s GLU 972 Cb -0.09 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.55 3kex s GLU 972 CO 0.50 -0.40 0.00 -2.30 0.02 0.00 0.00 175.26 173.09 3kex n PRO 973 N 5.41 -0.14 -3.11 0.39 -0.02 -1.26 -5.06 135.00 131.21 3kex n PRO 973 Ca -0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.23 3kex n PRO 973 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 3kex n PRO 973 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3kex n HIS 974 N -1.66 -0.56 -0.70 6.00 1.44 -1.26 -5.36 115.22 113.12 3kex n HIS 974 Ca 0.00 -3.42 0.00 0.00 -2.01 0.00 0.00 57.72 52.29 3kex n HIS 974 Cb 0.00 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.06 3kex n HIS 974 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94