#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwu s PHE 674 N 0.00 3.11 0.00 4.31 0.08 -1.26 -4.12 117.98 120.10 3kwu s PHE 674 Ca 0.00 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 55.87 3kwu s PHE 674 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3kwu s PHE 674 CO 0.00 -0.63 0.00 -2.67 -0.10 0.00 0.00 175.22 171.82 3kwu n TRP 687 N 4.79 0.00 -4.05 0.36 4.27 -1.26 -4.96 117.44 116.59 3kwu n TRP 687 Ca -0.15 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.23 3kwu n TRP 687 Cb 0.48 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.26 3kwu n TRP 687 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3kwu s SER 688 N 0.00 1.51 -0.02 -0.67 0.15 -1.26 -4.56 113.70 108.84 3kwu s SER 688 Ca 0.00 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.48 3kwu s SER 688 Cb 0.00 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 3kwu s SER 688 CO 0.00 -0.10 -0.01 0.00 1.20 0.00 0.00 173.24 174.33 3kwu s ALA 689 N 1.36 3.22 -0.25 5.45 0.00 0.10 -4.56 121.76 127.08 3kwu s ALA 689 Ca -0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 3kwu s ALA 689 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3kwu s ALA 689 CO -0.03 0.62 0.12 0.15 0.00 0.00 0.00 175.76 176.63 3kwu s LYS 690 N -1.33 3.87 -0.21 0.00 1.02 0.10 -0.28 119.74 122.91 3kwu s LYS 690 Ca 0.17 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 3kwu s LYS 690 Cb -0.11 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3kwu s LYS 690 CO 0.07 -0.08 0.01 0.42 -0.92 0.00 0.00 175.35 174.86 3kwu s ILE 691 N 1.39 4.03 -0.30 2.17 1.01 0.12 -1.46 121.20 128.15 3kwu s ILE 691 Ca 0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 3kwu s ILE 691 Cb -0.15 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.52 3kwu s ILE 691 CO 0.06 0.42 0.05 -0.55 0.00 0.00 0.00 174.94 174.91 3kwu s SER 692 N 1.07 4.98 -0.16 3.58 0.15 0.55 -1.12 113.70 122.75 3kwu s SER 692 Ca 0.02 -0.93 0.02 0.00 0.70 0.00 0.00 55.95 55.76 3kwu s SER 692 Cb -0.14 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.37 3kwu s SER 692 CO 0.02 -0.22 -0.20 -0.51 1.20 0.00 0.00 173.24 173.52 3kwu s ILE 693 N 1.41 2.02 -0.26 6.45 2.07 0.02 -0.99 121.20 131.92 3kwu s ILE 693 Ca -0.00 -0.93 -0.10 0.00 -1.41 0.00 0.00 60.65 58.21 3kwu s ILE 693 Cb -0.18 -1.81 -0.05 0.00 0.13 0.00 0.00 42.46 40.55 3kwu s ILE 693 CO 0.01 0.54 0.16 -0.89 -1.91 0.00 0.00 174.94 172.84 3kwu s THR 694 N 1.11 5.16 -0.60 4.00 2.01 0.57 -1.20 115.64 126.68 3kwu s THR 694 Ca -0.00 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 3kwu s THR 694 Cb -0.14 -3.43 0.05 0.00 0.01 0.00 0.00 72.50 68.98 3kwu s THR 694 CO -0.08 0.29 1.01 -0.69 -0.69 0.00 0.00 174.62 174.46 3kwu s VAL 695 N 1.51 4.26 -0.08 3.82 1.01 0.22 -1.41 120.40 129.72 3kwu s VAL 695 Ca 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3kwu s VAL 695 Cb -0.15 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 3kwu s VAL 695 CO 0.08 -1.31 -0.04 0.58 0.00 0.00 0.00 175.10 174.41 3kwu h VAL 696 N 6.02 0.00 -2.20 2.92 2.07 -1.55 -1.41 116.25 122.11 3kwu h VAL 696 Ca -0.27 -0.72 0.20 0.00 0.82 0.00 0.00 66.70 66.73 3kwu h VAL 696 Cb 1.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 3kwu h VAL 696 CO 1.14 0.00 0.54 0.00 0.02 0.00 0.00 177.57 179.27 3kwu s ALA 698 N -3.15 1.33 -0.00 0.00 0.00 0.21 -0.75 121.76 119.41 3kwu s ALA 698 Ca 0.12 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.54 3kwu s ALA 698 Cb -0.00 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 3kwu s ALA 698 CO 0.01 -0.28 -0.03 -1.14 0.00 0.00 0.00 175.76 174.32 3kwu s GLN 699 N -3.88 0.23 -0.18 0.00 2.00 -0.29 -3.14 119.66 114.39 3kwu s GLN 699 Ca 0.22 -0.09 0.00 0.00 -2.00 0.00 0.00 55.36 53.49 3kwu s GLN 699 Cb 0.06 -0.23 0.00 0.00 0.80 0.00 0.00 33.01 33.63 3kwu s GLN 699 CO 0.03 0.05 0.00 0.41 -0.50 0.00 0.00 175.29 175.28 3kwu n GLY 700 N 3.07 0.36 3.76 2.59 0.00 -1.08 -1.55 105.19 112.34 3kwu n GLY 700 Ca -0.13 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 3kwu n GLY 700 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwu s LEU 701 N -0.54 3.55 0.51 0.99 1.43 -0.64 -3.13 118.68 120.84 3kwu s LEU 701 Ca 0.00 2.23 -0.20 0.00 -1.03 0.00 0.00 54.13 55.13 3kwu s LEU 701 Cb 0.00 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.56 3kwu s LEU 701 CO 0.00 -1.63 1.05 -1.10 0.23 0.00 0.00 176.35 174.90 3kwu s GLN 702 N -3.62 3.70 -0.22 1.70 -0.21 -1.26 -4.87 119.66 114.88 3kwu s GLN 702 Ca 0.73 1.36 -0.25 0.00 0.02 0.00 0.00 55.36 57.22 3kwu s GLN 702 Cb -0.26 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.66 3kwu s GLN 702 CO 0.36 -0.51 0.84 0.00 -2.12 0.00 0.00 175.29 173.85 3kwu s ALA 703 N -2.03 3.61 -0.13 6.09 0.00 -1.26 -4.66 121.76 123.37 3kwu s ALA 703 Ca 0.67 -0.06 0.16 0.00 0.00 0.00 0.00 51.96 52.73 3kwu s ALA 703 Cb -0.17 -3.28 0.28 0.00 0.00 0.00 0.00 23.12 19.96 3kwu s ALA 703 CO 0.23 -0.84 1.15 1.63 0.00 0.00 0.00 175.76 177.92 3kwu n LYS 704 N 5.77 1.17 -4.41 0.00 5.02 -0.98 -4.86 118.16 119.86 3kwu n LYS 704 Ca 0.05 -2.52 -0.28 0.00 -2.02 0.00 0.00 58.31 53.55 3kwu n LYS 704 Cb 0.48 -1.38 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 3kwu n LYS 704 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kwu s ASP 705 N -2.72 3.38 0.64 4.39 1.01 -0.40 -4.98 116.67 118.00 3kwu s ASP 705 Ca 0.30 -0.82 0.39 0.00 0.71 0.00 0.00 52.55 53.12 3kwu s ASP 705 Cb 0.27 -0.24 2.21 0.00 1.01 0.00 0.00 42.92 46.17 3kwu s ASP 705 CO 0.01 0.14 2.33 0.07 0.21 0.00 0.00 175.17 177.93 3kwu h LYS 706 N 3.45 0.00 0.00 8.23 2.10 -1.94 -0.40 116.57 128.02 3kwu h LYS 706 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3kwu h LYS 706 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3kwu h LYS 706 CO 0.45 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.15 3kwu n THR 707 N -3.36 0.38 -0.30 0.07 -2.24 -1.26 -4.89 114.28 102.67 3kwu n THR 707 Ca -0.03 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3kwu n THR 707 Cb 0.08 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3kwu n THR 707 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwu n GLY 708 N 0.54 0.85 0.00 3.38 0.00 -0.16 -5.06 105.19 104.74 3kwu n GLY 708 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kwu n GLY 708 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kwu n SER 709 N 0.04 0.19 -4.16 1.61 2.88 -1.25 -4.81 113.62 108.11 3kwu n SER 709 Ca 0.00 -1.00 -0.10 0.00 -1.33 0.00 0.00 58.87 56.43 3kwu n SER 709 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3kwu n SER 709 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3kwu s SER 710 N -1.00 0.24 -0.67 -3.46 0.01 -1.26 -1.27 113.70 106.29 3kwu s SER 710 Ca 0.00 -1.27 0.05 0.00 1.31 0.00 0.00 55.95 56.05 3kwu s SER 710 Cb 0.00 0.33 0.18 0.00 0.21 0.00 0.00 66.02 66.74 3kwu s SER 710 CO 0.00 -0.77 0.53 0.47 0.41 0.00 0.00 173.24 173.87 3kwu n ASP 711 N -0.16 2.82 -4.76 2.44 8.00 -1.26 -1.62 116.55 122.02 3kwu n ASP 711 Ca -0.03 -3.18 -0.39 0.00 0.71 0.00 0.00 54.79 51.90 3kwu n ASP 711 Cb 0.64 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3kwu n ASP 711 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3kwu s PRO 712 N -1.51 4.64 0.13 -0.24 0.02 -0.75 -0.76 135.00 136.51 3kwu s PRO 712 Ca 0.28 1.57 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 3kwu s PRO 712 Cb -0.00 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3kwu s PRO 712 CO -0.15 0.28 0.04 1.52 -0.33 0.00 0.00 177.00 178.36 3kwu s TYR 713 N -1.32 0.86 -0.05 6.54 -0.85 -0.10 -1.17 117.35 121.25 3kwu s TYR 713 Ca 0.46 -1.20 0.04 0.00 -0.52 0.00 0.00 57.07 55.86 3kwu s TYR 713 Cb -0.26 -0.49 -0.00 0.00 0.38 0.00 0.00 41.96 41.58 3kwu s TYR 713 CO 0.33 -0.47 -0.19 0.08 -1.52 0.00 0.00 175.55 173.78 3kwu s VAL 714 N -4.00 1.56 -0.01 -3.49 1.01 -1.26 -0.75 120.40 113.47 3kwu s VAL 714 Ca 0.22 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3kwu s VAL 714 Cb 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3kwu s VAL 714 CO 0.01 0.45 0.10 0.42 0.00 0.00 0.00 175.10 176.08 3kwu s THR 715 N 0.11 4.88 -0.10 3.92 -4.23 0.07 -1.00 115.64 119.29 3kwu s THR 715 Ca -0.07 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3kwu s THR 715 Cb -0.13 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.49 3kwu s THR 715 CO 0.03 0.35 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.70 3kwu s VAL 716 N -1.22 0.91 -0.06 2.29 1.01 -0.10 -1.40 120.40 121.83 3kwu s VAL 716 Ca 0.24 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3kwu s VAL 716 Cb -0.12 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3kwu s VAL 716 CO 0.15 0.34 -0.16 -1.58 0.00 0.00 0.00 175.10 173.85 3kwu s GLN 717 N 1.53 1.92 -0.15 2.72 0.74 -0.02 -0.98 119.66 125.41 3kwu s GLN 717 Ca 0.01 -0.56 -0.00 0.00 0.05 0.00 0.00 55.36 54.86 3kwu s GLN 717 Cb -0.13 -1.58 0.04 0.00 1.10 0.00 0.00 33.01 32.43 3kwu s GLN 717 CO -0.05 0.14 -0.06 0.08 -0.55 0.00 0.00 175.29 174.84 3kwu s VAL 718 N 0.36 1.11 0.00 1.34 1.01 -0.31 -0.81 120.40 123.09 3kwu s VAL 718 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3kwu s VAL 718 Cb -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3kwu s VAL 718 CO 0.04 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3kwu n GLY 719 N 4.88 2.58 0.38 4.51 0.00 -1.26 -2.22 105.19 114.06 3kwu n GLY 719 Ca -0.12 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.66 3kwu n GLY 719 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kwu n LYS 720 N 13.51 1.50 -3.47 1.61 5.02 -1.26 -4.84 118.16 130.24 3kwu n LYS 720 Ca 0.00 -0.76 -0.38 0.00 -2.02 0.00 0.00 58.31 55.15 3kwu n LYS 720 Cb 0.00 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.43 3kwu n LYS 720 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kwu s THR 721 N -2.02 5.23 0.02 -0.18 2.01 -0.94 -5.03 115.64 114.73 3kwu s THR 721 Ca 0.39 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.92 3kwu s THR 721 Cb 0.21 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3kwu s THR 721 CO 0.35 0.21 -0.24 -0.75 -0.69 0.00 0.00 174.62 173.50 3kwu s LYS 722 N 1.82 1.74 0.15 4.92 2.20 -1.26 -1.17 119.74 128.15 3kwu s LYS 722 Ca 0.13 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 3kwu s LYS 722 Cb -0.16 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 3kwu s LYS 722 CO 0.09 0.48 -0.02 0.15 -0.36 0.00 0.00 175.35 175.69 3kwu s LYS 723 N -0.95 1.04 0.02 4.03 1.02 -0.15 -4.26 119.74 120.49 3kwu s LYS 723 Ca 0.10 -1.48 -0.09 0.00 0.02 0.00 0.00 55.97 54.51 3kwu s LYS 723 Cb -0.09 -0.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 3kwu s LYS 723 CO 0.01 -0.08 0.19 -0.98 -0.92 0.00 0.00 175.35 173.56 3kwu s ARG 724 N -3.88 0.61 0.79 1.68 1.70 -1.26 -0.92 118.95 117.68 3kwu s ARG 724 Ca 0.20 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 54.85 3kwu s ARG 724 Cb 0.06 0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.77 3kwu s ARG 724 CO 0.02 -0.17 1.16 0.95 -1.08 0.00 0.00 175.30 176.18 3kwu s THR 725 N -2.01 2.09 0.81 4.99 -4.23 -0.17 -5.00 115.64 112.12 3kwu s THR 725 Ca -0.09 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 3kwu s THR 725 Cb -0.04 -3.02 0.08 0.00 1.34 0.00 0.00 72.50 70.86 3kwu s THR 725 CO -0.01 -0.03 1.14 -0.54 -0.54 0.00 0.00 174.62 174.65 3kwu s LYS 726 N -5.53 1.79 0.12 3.99 1.02 -1.26 -4.61 119.74 115.25 3kwu s LYS 726 Ca 0.62 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.80 3kwu s LYS 726 Cb -0.11 -1.82 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 3kwu s LYS 726 CO 0.49 -2.05 0.92 0.99 -0.92 0.00 0.00 175.35 174.78 3kwu s THR 727 N -2.53 4.48 -0.21 2.17 2.01 -1.26 -4.50 115.64 115.80 3kwu s THR 727 Ca 0.67 1.99 -0.07 0.00 0.31 0.00 0.00 61.69 64.59 3kwu s THR 727 Cb -0.23 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 3kwu s THR 727 CO 0.53 0.36 0.06 -0.63 -0.69 0.00 0.00 174.62 174.24 3kwu s ILE 728 N -0.21 4.53 -0.02 1.82 -1.09 -0.32 -4.98 121.20 120.93 3kwu s ILE 728 Ca 0.44 -0.12 -0.22 0.00 -2.23 0.00 0.00 60.65 58.53 3kwu s ILE 728 Cb -0.23 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.53 3kwu s ILE 728 CO 0.29 0.41 0.63 -0.31 -1.23 0.00 0.00 174.94 174.73 3kwu s TYR 729 N 0.88 3.66 -1.25 3.97 2.02 -1.26 -1.82 117.35 123.56 3kwu s TYR 729 Ca 0.03 1.23 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 3kwu s TYR 729 Cb -0.14 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 38.75 3kwu s TYR 729 CO 0.02 0.28 1.02 0.41 -1.57 0.00 0.00 175.55 175.71 3kwu n GLY 730 N 2.61 -0.40 2.98 0.71 0.00 -0.64 -4.97 105.19 105.49 3kwu n GLY 730 Ca -0.05 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3kwu n GLY 730 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwu s ASN 731 N -4.12 -0.18 0.00 1.61 3.84 -0.64 -4.85 114.94 110.60 3kwu s ASN 731 Ca 0.14 0.40 0.24 0.00 0.21 0.00 0.00 52.86 53.84 3kwu s ASN 731 Cb -0.06 0.28 0.21 0.00 -0.55 0.00 0.00 41.25 41.13 3kwu s ASN 731 CO 0.74 -0.16 1.22 0.18 -2.79 0.00 0.00 177.10 176.29 3kwu n LEU 732 N 4.22 1.21 -2.77 3.21 4.77 -1.26 -4.29 117.00 122.09 3kwu n LEU 732 Ca -0.26 -0.42 -0.25 0.00 -0.03 0.00 0.00 56.01 55.05 3kwu n LEU 732 Cb 0.52 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3kwu n LEU 732 CO 0.16 0.25 0.11 0.59 -1.33 0.00 0.00 177.39 177.18 3kwu n ASN 733 N -0.87 4.05 -4.77 -1.43 3.02 -1.26 -1.62 115.26 112.38 3kwu n ASN 733 Ca 0.08 -3.57 -0.36 0.00 -0.03 0.00 0.00 54.58 50.69 3kwu n ASN 733 Cb 0.38 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 39.03 3kwu n ASN 733 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kwu s PRO 734 N -3.39 3.44 -0.22 3.52 0.04 -1.19 -4.67 135.00 132.53 3kwu s PRO 734 Ca 0.46 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 3kwu s PRO 734 Cb 0.34 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3kwu s PRO 734 CO -0.14 -0.82 -0.09 0.08 0.04 0.00 0.00 177.00 176.07 3kwu s VAL 735 N -1.59 2.79 -0.24 -0.36 1.01 -1.26 -0.62 120.40 120.13 3kwu s VAL 735 Ca 0.70 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 3kwu s VAL 735 Cb -0.29 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 3kwu s VAL 735 CO 0.33 0.35 -0.30 0.79 0.00 0.00 0.00 175.10 176.27 3kwu n TRP 736 N 4.69 0.00 -3.80 5.22 8.01 -0.18 -4.99 117.44 126.39 3kwu n TRP 736 Ca -0.18 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.74 3kwu n TRP 736 Cb 0.49 -0.85 0.01 0.00 -2.01 0.00 0.00 31.31 28.95 3kwu n TRP 736 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3kwu n GLU 737 N -4.04 -2.83 -5.10 -0.99 1.02 -0.50 -4.98 120.64 103.22 3kwu n GLU 737 Ca -0.47 0.47 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3kwu n GLU 737 Cb 0.83 -4.51 -0.15 0.00 -0.02 0.00 0.00 31.44 27.59 3kwu n GLU 737 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kwu s GLU 738 N -6.21 2.69 -0.04 3.49 2.02 -0.87 -4.96 118.70 114.81 3kwu s GLU 738 Ca 0.18 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.35 3kwu s GLU 738 Cb -0.06 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 3kwu s GLU 738 CO 0.86 0.40 -0.03 1.21 0.02 0.00 0.00 175.26 177.73 3kwu s ASN 739 N -0.20 4.96 0.03 -0.19 3.84 -1.26 -0.61 114.94 121.51 3kwu s ASN 739 Ca -0.02 0.02 0.03 0.00 0.21 0.00 0.00 52.86 53.10 3kwu s ASN 739 Cb -0.13 -1.30 -0.02 0.00 -0.55 0.00 0.00 41.25 39.25 3kwu s ASN 739 CO 0.03 0.33 -0.09 -0.36 -2.79 0.00 0.00 177.10 174.23 3kwu s PHE 740 N -0.94 0.75 -0.08 0.43 0.08 -0.34 -4.99 117.98 112.89 3kwu s PHE 740 Ca 0.15 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.85 3kwu s PHE 740 Cb -0.11 -0.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 3kwu s PHE 740 CO 0.05 -0.04 -0.15 -1.01 -0.10 0.00 0.00 175.22 173.98 3kwu s HIS 741 N -0.98 2.73 0.03 0.36 3.76 -1.26 -0.80 115.29 119.12 3kwu s HIS 741 Ca -0.05 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 3kwu s HIS 741 Cb -0.08 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 3kwu s HIS 741 CO 0.01 0.00 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.75 3kwu s PHE 742 N -0.27 0.73 -0.02 1.40 0.08 -0.27 -5.00 117.98 114.63 3kwu s PHE 742 Ca 0.02 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.50 3kwu s PHE 742 Cb -0.13 -0.44 -0.05 0.00 -0.57 0.00 0.00 43.02 41.83 3kwu s PHE 742 CO 0.03 -0.05 0.47 -1.21 -0.10 0.00 0.00 175.22 174.36 3kwu s GLU 743 N -1.26 4.12 0.04 0.44 2.02 -1.26 -0.71 118.70 122.10 3kwu s GLU 743 Ca -0.06 0.50 0.03 0.00 0.02 0.00 0.00 54.97 55.47 3kwu s GLU 743 Cb -0.08 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 3kwu s GLU 743 CO 0.01 0.51 -0.10 0.00 0.02 0.00 0.00 175.26 175.70 3kwu n HIS 745 N 1.64 0.00 -3.26 0.00 8.25 -1.26 0.01 115.22 120.59 3kwu n HIS 745 Ca -0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.23 3kwu n HIS 745 Cb 0.55 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.67 3kwu n HIS 745 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3kwu n ASN 746 N -0.64 -0.57 0.26 0.41 0.23 -1.26 -4.70 115.26 108.98 3kwu n ASN 746 Ca 0.00 -1.38 0.15 0.00 -0.53 0.00 0.00 54.58 52.82 3kwu n ASN 746 Cb 0.06 0.95 0.50 0.00 -2.08 0.00 0.00 39.78 39.21 3kwu n ASN 746 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3kwu h SER 747 N 0.51 0.00 0.44 0.53 4.64 -2.00 -2.23 113.55 115.44 3kwu h SER 747 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kwu h SER 747 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3kwu h SER 747 CO 0.11 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 176.85 3kwu h SER 748 N 0.00 0.00 -1.92 4.97 4.64 -2.03 -3.28 113.55 115.93 3kwu h SER 748 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3kwu h SER 748 Cb 0.69 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 3kwu h SER 748 CO 0.00 0.00 1.28 -1.81 -0.87 0.00 0.00 176.83 175.43 3kwu s ASP 749 N -4.81 5.38 0.16 4.97 1.01 -0.84 -4.52 116.67 118.01 3kwu s ASP 749 Ca -0.01 0.15 0.10 0.00 0.71 0.00 0.00 52.55 53.50 3kwu s ASP 749 Cb 0.09 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 3kwu s ASP 749 CO 0.39 -2.33 -0.22 0.00 0.21 0.00 0.00 175.17 173.22 3kwu s ARG 750 N 6.86 1.36 -0.31 8.23 1.70 -1.24 -3.21 118.95 132.34 3kwu s ARG 750 Ca 0.63 -1.41 -0.20 0.00 -0.47 0.00 0.00 55.73 54.28 3kwu s ARG 750 Cb -0.11 -1.61 -0.01 0.00 -0.57 0.00 0.00 34.95 32.65 3kwu s ARG 750 CO 0.18 0.35 0.63 0.42 -1.08 0.00 0.00 175.30 175.80 3kwu s ILE 751 N -1.63 4.93 -0.37 4.99 1.01 0.33 -4.38 121.20 126.08 3kwu s ILE 751 Ca 0.16 0.85 -0.11 0.00 0.00 0.00 0.00 60.65 61.55 3kwu s ILE 751 Cb -0.08 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3kwu s ILE 751 CO 0.07 -0.15 0.20 -0.54 0.00 0.00 0.00 174.94 174.52 3kwu s LYS 752 N 2.62 2.84 -0.27 2.79 1.02 0.01 -0.58 119.74 128.16 3kwu s LYS 752 Ca 0.25 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 3kwu s LYS 752 Cb -0.15 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.47 3kwu s LYS 752 CO 0.12 -0.68 0.04 0.08 -0.92 0.00 0.00 175.35 173.99 3kwu s VAL 753 N 1.55 3.71 -0.01 3.17 1.01 -0.43 -0.84 120.40 128.55 3kwu s VAL 753 Ca 0.02 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3kwu s VAL 753 Cb -0.19 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3kwu s VAL 753 CO 0.06 0.16 -0.16 -0.13 0.00 0.00 0.00 175.10 175.03 3kwu s ARG 754 N 1.47 1.32 -0.09 2.72 0.52 -0.49 -0.74 118.95 123.67 3kwu s ARG 754 Ca 0.03 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3kwu s ARG 754 Cb -0.17 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 3kwu s ARG 754 CO 0.01 0.35 -0.06 0.08 0.02 0.00 0.00 175.30 175.70 3kwu s VAL 755 N -0.38 3.77 0.02 3.52 1.01 -0.19 -0.75 120.40 127.40 3kwu s VAL 755 Ca 0.06 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3kwu s VAL 755 Cb -0.06 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3kwu s VAL 755 CO -0.01 0.58 -0.06 -0.76 0.00 0.00 0.00 175.10 174.85 3kwu s LEU 756 N -0.57 2.17 -0.52 3.92 2.01 0.07 -0.20 118.68 125.55 3kwu s LEU 756 Ca 0.09 -0.38 -0.17 0.00 0.01 0.00 0.00 54.13 53.68 3kwu s LEU 756 Cb -0.12 -0.14 0.09 0.00 0.01 0.00 0.00 46.19 46.04 3kwu s LEU 756 CO 0.02 -0.13 0.54 -0.62 1.01 0.00 0.00 176.35 177.17 3kwu s ASP 757 N -1.04 6.18 0.16 2.29 2.15 0.59 -0.93 116.67 126.07 3kwu s ASP 757 Ca -0.07 -1.39 -0.33 0.00 0.43 0.00 0.00 52.55 51.20 3kwu s ASP 757 Cb -0.07 -2.24 -0.12 0.00 -0.30 0.00 0.00 42.92 40.19 3kwu s ASP 757 CO -0.00 -0.85 1.70 1.21 -0.17 0.00 0.00 175.17 177.06 3kwu n GLU 758 N 5.66 2.53 -3.29 4.34 2.13 0.06 -1.95 120.64 130.11 3kwu n GLU 758 Ca -0.11 0.92 -0.25 0.00 0.66 0.00 0.00 57.16 58.37 3kwu n GLU 758 Cb 0.43 -2.74 -0.08 0.00 0.27 0.00 0.00 31.44 29.32 3kwu n GLU 758 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3kwu n ASP 759 N 4.19 1.45 -3.82 4.31 8.00 -1.26 -4.57 116.55 124.85 3kwu n ASP 759 Ca 0.17 -2.95 -0.42 0.00 0.71 0.00 0.00 54.79 52.30 3kwu n ASP 759 Cb 0.33 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 40.79 3kwu n ASP 759 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kwu n ASP 760 N 1.29 6.14 -4.15 -2.24 2.03 -1.26 -4.64 116.55 113.72 3kwu n ASP 760 Ca 0.24 -3.26 -0.14 0.00 0.52 0.00 0.00 54.79 52.16 3kwu n ASP 760 Cb 0.48 -1.37 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 3kwu n ASP 760 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 3kwu s ASP 761 N -0.21 1.32 0.35 1.67 -4.77 -1.26 -5.07 116.67 108.71 3kwu s ASP 761 Ca 0.39 -0.74 0.06 0.00 -3.30 0.00 0.00 52.55 48.96 3kwu s ASP 761 Cb 0.10 0.01 0.66 0.00 -1.09 0.00 0.00 42.92 42.61 3kwu s ASP 761 CO 0.01 -0.24 1.88 -0.29 0.70 0.00 0.00 175.17 177.23 3kwu h ILE 762 N 3.82 1.19 -0.50 2.11 2.10 -1.99 -1.88 117.51 122.36 3kwu h ILE 762 Ca -0.37 -0.80 -0.03 0.00 1.08 0.00 0.00 64.86 64.74 3kwu h ILE 762 Cb 1.19 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 3kwu h ILE 762 CO 0.49 0.26 0.21 0.11 -1.08 0.00 0.00 178.15 178.15 3kwu h LYS 763 N 0.40 0.75 0.08 2.19 1.57 -1.97 0.44 116.57 120.02 3kwu h LYS 763 Ca 0.08 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kwu h LYS 763 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3kwu h LYS 763 CO 0.02 0.66 -0.13 0.77 -0.57 0.00 0.00 179.45 180.20 3kwu h SER 764 N 0.67 -0.35 0.06 0.86 0.02 -1.83 0.13 113.55 113.11 3kwu h SER 764 Ca 0.17 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3kwu h SER 764 Cb 0.18 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kwu h SER 764 CO -0.02 -0.19 -0.40 0.03 -1.14 0.00 0.00 176.83 175.12 3kwu h ARG 765 N -0.25 0.44 0.00 3.45 3.08 -1.13 -2.84 114.38 117.12 3kwu h ARG 765 Ca 0.02 -0.21 -0.22 0.00 0.07 0.00 0.00 59.98 59.64 3kwu h ARG 765 Cb 0.27 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3kwu h ARG 765 CO -0.07 0.77 -1.71 0.28 -1.07 0.00 0.00 179.97 178.16 3kwu n VAL 766 N -4.03 1.51 0.13 2.04 0.31 0.13 -3.97 118.33 114.44 3kwu n VAL 766 Ca -0.01 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.20 3kwu n VAL 766 Cb 0.50 -2.13 0.11 0.00 -0.91 0.00 0.00 33.84 31.41 3kwu n VAL 766 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kwu h LYS 767 N -1.00 0.00 -0.73 5.55 3.64 -0.88 -3.03 116.57 120.12 3kwu h LYS 767 Ca -0.33 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.56 3kwu h LYS 767 Cb 1.28 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.80 3kwu h LYS 767 CO -0.20 0.67 -0.09 1.04 -2.27 0.00 0.00 179.45 178.60 3kwu n GLN 768 N -3.61 2.85 0.18 1.90 6.02 -1.00 -4.71 117.38 119.01 3kwu n GLN 768 Ca -0.01 -3.63 0.13 0.00 -0.01 0.00 0.00 57.00 53.48 3kwu n GLN 768 Cb 0.69 -2.16 0.61 0.00 1.02 0.00 0.00 30.24 30.40 3kwu n GLN 768 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3kwu h ARG 769 N 1.80 0.00 0.00 -1.09 0.11 -1.59 -2.47 114.38 111.13 3kwu h ARG 769 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 3kwu h ARG 769 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 3kwu h ARG 769 CO 0.93 0.00 0.00 0.27 0.10 0.00 0.00 179.97 181.27 3kwu h PHE 770 N 0.00 0.00 -4.14 4.08 -5.15 -1.87 -3.46 116.94 106.40 3kwu h PHE 770 Ca 0.00 0.00 -0.51 0.00 -0.20 0.00 0.00 57.97 57.26 3kwu h PHE 770 Cb 0.22 0.00 0.10 0.00 0.22 0.00 0.00 35.95 36.49 3kwu h PHE 770 CO 0.00 0.00 0.41 0.15 -2.00 0.00 0.00 178.31 176.87 3kwu s LYS 771 N -3.67 2.97 0.35 6.09 1.02 -0.93 -4.93 119.74 120.64 3kwu s LYS 771 Ca 0.00 1.56 0.08 0.00 0.02 0.00 0.00 55.97 57.63 3kwu s LYS 771 Cb 0.10 -1.96 0.66 0.00 -0.52 0.00 0.00 37.83 36.10 3kwu s LYS 771 CO 0.46 -1.14 1.84 0.00 -0.92 0.00 0.00 175.35 175.59 3kwu h ARG 772 N 0.55 0.28 -5.02 1.68 2.47 -1.91 -3.41 114.38 109.02 3kwu h ARG 772 Ca -0.49 -0.08 -0.35 0.00 -1.26 0.00 0.00 59.98 57.80 3kwu h ARG 772 Cb 1.26 -0.03 -0.20 0.00 -1.65 0.00 0.00 29.97 29.35 3kwu h ARG 772 CO 0.55 0.48 -0.75 -1.21 0.56 0.00 0.00 179.97 179.59 3kwu s GLU 773 N -4.59 0.75 0.33 0.04 8.01 -1.26 -5.03 118.70 116.95 3kwu s GLU 773 Ca -0.06 -0.96 0.15 0.00 0.01 0.00 0.00 54.97 54.12 3kwu s GLU 773 Cb 0.15 -0.59 0.54 0.00 -4.31 0.00 0.00 34.13 29.91 3kwu s GLU 773 CO 0.75 0.12 1.68 0.66 0.01 0.00 0.00 175.26 178.48 3kwu h SER 774 N 4.13 0.00 -3.14 -0.19 4.64 -1.94 -3.40 113.55 113.65 3kwu h SER 774 Ca -0.38 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.26 3kwu h SER 774 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 3kwu h SER 774 CO 0.44 0.47 -0.58 -1.81 -0.87 0.00 0.00 176.83 174.48 3kwu s ASP 775 N -6.60 5.55 0.22 4.97 1.01 -1.26 -4.52 116.67 116.05 3kwu s ASP 775 Ca -0.00 0.22 -0.30 0.00 0.71 0.00 0.00 52.55 53.18 3kwu s ASP 775 Cb 0.12 -1.67 -0.09 0.00 1.01 0.00 0.00 42.92 42.29 3kwu s ASP 775 CO 0.72 0.37 1.14 -1.81 0.21 0.00 0.00 175.17 175.80 3kwu s ASP 776 N -0.80 7.18 0.23 0.27 1.01 -0.82 -4.70 116.67 119.05 3kwu s ASP 776 Ca 0.13 2.23 -0.30 0.00 0.71 0.00 0.00 52.55 55.32 3kwu s ASP 776 Cb -0.12 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.11 3kwu s ASP 776 CO 0.03 -0.26 1.22 0.12 0.21 0.00 0.00 175.17 176.49 3kwu s PHE 777 N -0.54 3.35 -0.51 4.23 5.36 -1.26 -0.30 117.98 128.31 3kwu s PHE 777 Ca 0.49 1.43 0.05 0.00 -0.96 0.00 0.00 56.93 57.94 3kwu s PHE 777 Cb -0.32 -3.49 0.01 0.00 -0.34 0.00 0.00 43.02 38.88 3kwu s PHE 777 CO 0.38 -1.35 0.49 1.28 -1.46 0.00 0.00 175.22 174.57 3kwu n LEU 778 N 1.97 0.98 0.00 6.12 4.77 0.72 -4.86 117.00 126.70 3kwu n LEU 778 Ca 0.03 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 3kwu n LEU 778 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kwu n LEU 778 CO 0.56 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3kwu n GLY 779 N 0.63 3.77 3.13 -0.72 0.00 -1.22 -4.41 105.19 106.38 3kwu n GLY 779 Ca 0.02 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 3kwu n GLY 779 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kwu s GLN 780 N -2.68 0.70 -0.02 1.61 -2.07 -0.83 -1.02 119.66 115.34 3kwu s GLN 780 Ca 0.00 -1.12 0.01 0.00 -1.82 0.00 0.00 55.36 52.43 3kwu s GLN 780 Cb 0.00 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 32.19 3kwu s GLN 780 CO 0.00 -0.17 -0.03 -0.08 -1.32 0.00 0.00 175.29 173.69 3kwu s THR 781 N -3.90 0.36 -0.27 3.63 -1.32 0.08 -0.11 115.64 114.10 3kwu s THR 781 Ca 0.06 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 60.42 3kwu s THR 781 Cb 0.07 -0.36 0.03 0.00 -1.51 0.00 0.00 72.50 70.73 3kwu s THR 781 CO -0.10 0.15 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.80 3kwu s ILE 782 N 0.46 3.05 -0.28 5.08 -1.09 -1.26 -1.31 121.20 125.84 3kwu s ILE 782 Ca -0.05 -1.12 -0.07 0.00 -2.23 0.00 0.00 60.65 57.18 3kwu s ILE 782 Cb -0.08 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 3kwu s ILE 782 CO -0.01 0.07 0.07 -0.63 -1.23 0.00 0.00 174.94 173.22 3kwu s ILE 783 N 1.32 4.01 0.31 2.92 1.01 0.25 -4.96 121.20 126.07 3kwu s ILE 783 Ca -0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 59.77 3kwu s ILE 783 Cb -0.18 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.17 3kwu s ILE 783 CO -0.02 0.14 1.10 -1.61 0.00 0.00 0.00 174.94 174.55 3kwu s GLU 784 N 1.52 4.49 0.55 2.79 0.41 -1.26 -0.51 118.70 126.69 3kwu s GLU 784 Ca 0.03 1.77 0.25 0.00 -0.41 0.00 0.00 54.97 56.61 3kwu s GLU 784 Cb -0.17 -3.02 1.44 0.00 -1.78 0.00 0.00 34.13 30.60 3kwu s GLU 784 CO 0.02 0.09 2.05 0.28 -0.49 0.00 0.00 175.26 177.21 3kwu h VAL 785 N 2.86 0.70 0.00 2.63 2.07 -1.84 -1.59 116.25 121.09 3kwu h VAL 785 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kwu h VAL 785 Cb 1.21 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3kwu h VAL 785 CO 0.66 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 176.14 3kwu n ARG 786 N -4.24 0.14 0.00 1.57 1.85 -1.26 -1.59 116.66 113.13 3kwu n ARG 786 Ca 0.05 0.43 0.14 0.00 -1.00 0.00 0.00 57.85 57.47 3kwu n ARG 786 Cb 0.44 -1.80 0.47 0.00 -1.05 0.00 0.00 32.46 30.53 3kwu n ARG 786 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kwu n THR 787 N -2.06 0.00 -2.80 8.89 -2.24 -0.60 -4.94 114.28 110.54 3kwu n THR 787 Ca 0.02 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 3kwu n THR 787 Cb 0.17 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3kwu n THR 787 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kwu s LEU 788 N -2.38 4.63 0.00 3.22 1.43 -0.62 -5.06 118.68 119.90 3kwu s LEU 788 Ca 0.29 1.87 0.01 0.00 -1.03 0.00 0.00 54.13 55.28 3kwu s LEU 788 Cb 0.20 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 3kwu s LEU 788 CO 0.47 0.15 0.05 -1.54 0.23 0.00 0.00 176.35 175.71 3kwu n SER 789 N 1.61 1.66 -0.30 2.29 3.41 -1.26 -5.08 113.62 115.96 3kwu n SER 789 Ca -0.02 -2.18 -0.06 0.00 -0.26 0.00 0.00 58.87 56.35 3kwu n SER 789 Cb 0.48 0.43 0.07 0.00 -0.26 0.00 0.00 64.21 64.93 3kwu n SER 789 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kwu h GLY 790 N 0.80 1.29 -6.82 5.00 0.00 -1.90 -3.38 103.07 98.06 3kwu h GLY 790 Ca -0.19 -0.69 -0.29 0.00 0.00 0.00 0.00 47.33 46.16 3kwu h GLY 790 CO 0.31 0.65 -0.62 1.85 0.00 0.00 0.00 176.54 178.72 3kwu s GLU 791 N -5.59 0.09 0.01 4.80 2.56 -1.26 -1.37 118.70 117.95 3kwu s GLU 791 Ca -0.12 0.49 0.05 0.00 0.00 0.00 0.00 54.97 55.38 3kwu s GLU 791 Cb 0.16 -0.51 -0.02 0.00 2.00 0.00 0.00 34.13 35.76 3kwu s GLU 791 CO 0.84 -0.40 -0.15 -1.64 -0.56 0.00 0.00 175.26 173.35 3kwu s MET 792 N 2.32 1.12 -0.23 4.30 -1.94 0.72 -5.00 119.30 120.59 3kwu s MET 792 Ca 0.04 -0.65 -0.04 0.00 -1.71 0.00 0.00 55.69 53.33 3kwu s MET 792 Cb -0.13 -1.12 0.08 0.00 2.01 0.00 0.00 34.83 35.67 3kwu s MET 792 CO -0.08 0.29 0.10 0.34 -0.01 0.00 0.00 175.02 175.66 3kwu s ASP 793 N -0.71 3.01 -0.01 3.03 -1.08 -1.26 -0.81 116.67 118.85 3kwu s ASP 793 Ca 0.04 -0.98 0.02 0.00 -0.52 0.00 0.00 52.55 51.11 3kwu s ASP 793 Cb -0.07 -0.40 -0.00 0.00 -1.46 0.00 0.00 42.92 40.99 3kwu s ASP 793 CO 0.00 -0.38 -0.06 -0.69 0.52 0.00 0.00 175.17 174.57 3kwu s VAL 794 N 2.03 0.47 -0.44 1.11 1.01 -0.46 -4.99 120.40 119.13 3kwu s VAL 794 Ca 0.05 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 3kwu s VAL 794 Cb -0.16 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.83 3kwu s VAL 794 CO -0.20 0.15 0.74 0.26 0.00 0.00 0.00 175.10 176.05 3kwu s TRP 795 N 0.01 3.02 -0.13 5.22 0.52 -1.26 -1.29 118.94 125.03 3kwu s TRP 795 Ca 0.00 0.13 -0.17 0.00 0.02 0.00 0.00 56.10 56.08 3kwu s TRP 795 Cb -0.04 -3.55 -0.04 0.00 -1.15 0.00 0.00 33.47 28.68 3kwu s TRP 795 CO -0.00 -0.93 0.44 0.71 0.02 0.00 0.00 176.95 177.18 3kwu s TYR 796 N 3.14 3.49 0.23 -1.98 2.02 0.46 -4.89 117.35 119.82 3kwu s TYR 796 Ca 0.28 0.81 -0.30 0.00 -0.37 0.00 0.00 57.07 57.49 3kwu s TYR 796 Cb -0.13 -2.51 -0.09 0.00 -0.40 0.00 0.00 41.96 38.83 3kwu s TYR 796 CO 0.21 0.17 1.27 -0.80 -1.57 0.00 0.00 175.55 174.82 3kwu s ASN 797 N 0.63 6.95 0.08 2.29 0.01 -1.26 -0.80 114.94 122.84 3kwu s ASN 797 Ca 0.24 2.40 -0.30 0.00 -0.71 0.00 0.00 52.86 54.49 3kwu s ASN 797 Cb -0.15 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.84 3kwu s ASN 797 CO 0.09 -0.46 1.08 -0.76 -1.51 0.00 0.00 177.10 175.54 3kwu s LEU 798 N -0.54 4.42 0.12 0.60 1.43 -0.58 -4.76 118.68 119.36 3kwu s LEU 798 Ca 0.53 1.91 0.03 0.00 -1.03 0.00 0.00 54.13 55.57 3kwu s LEU 798 Cb -0.36 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 3kwu s LEU 798 CO 0.41 -0.29 0.17 -1.81 0.23 0.00 0.00 176.35 175.06 3kwu s ASP 799 N 0.59 5.88 0.64 2.29 1.01 0.84 -4.79 116.67 123.13 3kwu s ASP 799 Ca 0.53 0.05 -0.14 0.00 0.71 0.00 0.00 52.55 53.70 3kwu s ASP 799 Cb -0.26 -1.67 -0.01 0.00 1.01 0.00 0.00 42.92 41.99 3kwu s ASP 799 CO 0.30 0.11 1.06 -0.54 0.21 0.00 0.00 175.17 176.32 3kwu s LYS 800 N -2.86 3.10 -0.07 8.23 1.02 -1.26 -1.97 119.74 125.92 3kwu s LYS 800 Ca 0.32 1.15 0.03 0.00 0.02 0.00 0.00 55.97 57.49 3kwu s LYS 800 Cb -0.11 -2.00 -0.25 0.00 -0.52 0.00 0.00 37.83 34.94 3kwu s LYS 800 CO 0.25 -0.99 0.57 0.00 -0.92 0.00 0.00 175.35 174.27 3kwu h ARG 801 N -0.02 0.14 -4.74 1.68 3.08 -1.97 -3.47 114.38 109.06 3kwu h ARG 801 Ca -0.46 -0.23 -0.33 0.00 0.07 0.00 0.00 59.98 59.03 3kwu h ARG 801 Cb 1.22 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 31.21 3kwu h ARG 801 CO 0.57 0.86 -0.58 0.95 -1.07 0.00 0.00 179.97 180.69 3kwu s THR 802 N -2.59 0.14 0.57 2.04 -4.23 -1.26 -5.01 115.64 105.29 3kwu s THR 802 Ca -0.12 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.64 3kwu s THR 802 Cb 0.07 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.74 3kwu s THR 802 CO 0.81 0.00 2.14 0.44 -0.54 0.00 0.00 174.62 177.46 3kwu h ASP 803 N 2.42 0.00 0.38 3.99 3.32 -2.05 -1.68 116.42 122.80 3kwu h ASP 803 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3kwu h ASP 803 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3kwu h ASP 803 CO 0.51 0.00 -0.13 0.29 -1.72 0.00 0.00 179.24 178.19 3kwu n LYS 804 N -4.06 0.65 -1.98 3.56 5.02 -1.26 -4.90 118.16 115.18 3kwu n LYS 804 Ca 0.00 -0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 3kwu n LYS 804 Cb 0.25 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3kwu n LYS 804 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3kwu s SER 805 N -2.52 5.82 -0.37 4.39 0.01 -0.63 -4.99 113.70 115.42 3kwu s SER 805 Ca 0.27 2.62 -0.04 0.00 1.31 0.00 0.00 55.95 60.11 3kwu s SER 805 Cb 0.20 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.87 3kwu s SER 805 CO 0.49 -1.18 0.13 0.00 0.41 0.00 0.00 173.24 173.09 3kwu s ALA 806 N -1.35 3.06 -0.01 1.44 0.00 -1.26 -4.96 121.76 118.68 3kwu s ALA 806 Ca 0.65 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3kwu s ALA 806 Cb -0.37 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.47 3kwu s ALA 806 CO 0.45 -1.53 -0.01 0.08 0.00 0.00 0.00 175.76 174.75 3kwu s VAL 807 N 1.27 0.10 0.05 0.00 1.01 -1.26 -4.82 120.40 116.75 3kwu s VAL 807 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3kwu s VAL 807 Cb -0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3kwu s VAL 807 CO -0.01 0.06 -0.01 -0.44 0.00 0.00 0.00 175.10 174.70 3kwu s SER 808 N 0.28 0.41 0.00 3.32 0.01 -1.26 -4.98 113.70 111.48 3kwu s SER 808 Ca -0.02 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.35 3kwu s SER 808 Cb -0.04 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.39 3kwu s SER 808 CO -0.01 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.68 3kwu n GLY 809 N 0.32 -2.38 3.12 3.44 0.00 -1.18 -4.20 105.19 104.31 3kwu n GLY 809 Ca -0.16 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 3kwu n GLY 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwu s ALA 810 N -1.58 0.03 -0.06 4.61 0.00 -0.59 -1.53 121.76 122.64 3kwu s ALA 810 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.30 3kwu s ALA 810 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 3kwu s ALA 810 CO 0.00 -0.36 -0.18 -1.50 0.00 0.00 0.00 175.76 173.72 3kwu s ILE 811 N -3.10 1.52 -0.28 0.00 2.07 0.02 -1.14 121.20 120.29 3kwu s ILE 811 Ca -0.01 -0.75 -0.12 0.00 -1.41 0.00 0.00 60.65 58.36 3kwu s ILE 811 Cb 0.02 -1.32 -0.05 0.00 0.13 0.00 0.00 42.46 41.24 3kwu s ILE 811 CO -0.07 0.44 0.26 -0.60 -1.91 0.00 0.00 174.94 173.05 3kwu s ARG 812 N 0.17 3.98 -0.03 3.50 3.52 0.07 -0.40 118.95 129.76 3kwu s ARG 812 Ca -0.08 -0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.41 3kwu s ARG 812 Cb -0.13 -3.66 -0.02 0.00 -1.56 0.00 0.00 34.95 29.58 3kwu s ARG 812 CO 0.03 -0.21 -0.25 -0.51 -0.81 0.00 0.00 175.30 173.56 3kwu s LEU 813 N 1.86 2.05 -0.17 -0.88 1.43 -0.41 -1.48 118.68 121.08 3kwu s LEU 813 Ca 0.10 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3kwu s LEU 813 Cb -0.16 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3kwu s LEU 813 CO 0.11 0.29 0.08 -2.28 0.23 0.00 0.00 176.35 174.78 3kwu s HIS 814 N -0.46 3.34 -0.08 0.29 5.65 -0.50 -1.35 115.29 122.17 3kwu s HIS 814 Ca 0.06 0.22 0.00 0.00 0.25 0.00 0.00 55.06 55.59 3kwu s HIS 814 Cb -0.11 -2.05 0.02 0.00 -1.18 0.00 0.00 32.58 29.27 3kwu s HIS 814 CO 0.00 0.31 -0.07 0.42 -0.65 0.00 0.00 174.74 174.75 3kwu s ILE 815 N 0.03 0.86 -0.06 0.89 1.01 0.01 -0.32 121.20 123.62 3kwu s ILE 815 Ca 0.07 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3kwu s ILE 815 Cb -0.12 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3kwu s ILE 815 CO 0.00 0.32 -0.17 -0.55 0.00 0.00 0.00 174.94 174.54 3kwu s SER 816 N 1.40 2.28 -0.08 3.58 0.15 -0.16 -0.20 113.70 120.66 3kwu s SER 816 Ca -0.02 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.28 3kwu s SER 816 Cb -0.13 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 3kwu s SER 816 CO -0.04 0.12 -0.19 -0.69 1.20 0.00 0.00 173.24 173.64 3kwu s VAL 817 N 0.30 1.68 -0.03 4.45 1.01 -0.47 -0.33 120.40 127.00 3kwu s VAL 817 Ca -0.11 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3kwu s VAL 817 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3kwu s VAL 817 CO 0.04 0.48 -0.21 -1.61 0.00 0.00 0.00 175.10 173.80 3kwu s GLU 818 N 0.34 1.88 0.00 2.72 2.02 -0.54 -4.66 118.70 120.46 3kwu s GLU 818 Ca -0.14 -0.74 0.27 0.00 0.02 0.00 0.00 54.97 54.39 3kwu s GLU 818 Cb -0.16 -1.71 0.83 0.00 0.10 0.00 0.00 34.13 33.19 3kwu s GLU 818 CO 0.06 0.38 1.62 -0.89 0.02 0.00 0.00 175.26 176.45