#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqk s PHE 693 N 0.00 3.47 0.19 2.11 0.40 -0.35 -2.20 117.98 121.60 3gqk s PHE 693 Ca 0.00 0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 57.04 3gqk s PHE 693 Cb 0.00 -2.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 3gqk s PHE 693 CO 0.00 0.17 0.11 0.00 0.70 0.00 0.00 175.22 176.20 3gqk s ALA 694 N 0.65 1.16 0.02 5.36 0.00 -0.30 -0.77 121.76 127.88 3gqk s ALA 694 Ca 0.21 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 3gqk s ALA 694 Cb -0.14 1.23 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 3gqk s ALA 694 CO 0.07 -0.55 -0.02 -2.00 0.00 0.00 0.00 175.76 173.26 3gqk s GLU 695 N -4.12 0.37 -0.05 0.00 2.12 0.44 -1.38 118.70 116.08 3gqk s GLU 695 Ca 0.35 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 3gqk s GLU 695 Cb 0.07 0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 3gqk s GLU 695 CO 0.10 -0.07 0.95 0.71 -0.54 0.00 0.00 175.26 176.41 3gqk s TYR 696 N -1.90 3.59 0.14 5.30 1.51 0.16 -0.42 117.35 125.73 3gqk s TYR 696 Ca -0.12 1.59 0.06 0.00 -1.01 0.00 0.00 57.07 57.59 3gqk s TYR 696 Cb -0.07 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.64 3gqk s TYR 696 CO -0.02 -0.08 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.15 3gqk s PHE 697 N 1.37 1.41 -0.21 2.71 0.40 0.11 -4.87 117.98 118.90 3gqk s PHE 697 Ca 0.48 -0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 3gqk s PHE 697 Cb -0.20 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 3gqk s PHE 697 CO 0.23 0.16 0.14 -2.00 0.70 0.00 0.00 175.22 174.45 3gqk s GLU 698 N -3.19 4.16 0.44 0.44 2.12 -1.26 0.89 118.70 122.30 3gqk s GLU 698 Ca 0.14 -0.23 -0.22 0.00 0.36 0.00 0.00 54.97 55.01 3gqk s GLU 698 Cb -0.02 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.84 3gqk s GLU 698 CO 0.03 0.24 1.07 -1.54 -0.54 0.00 0.00 175.26 174.52 3gqk s SER 699 N 0.55 6.46 0.11 -1.70 1.04 0.28 -1.22 113.70 119.23 3gqk s SER 699 Ca 0.08 2.07 -0.21 0.00 0.48 0.00 0.00 55.95 58.37 3gqk s SER 699 Cb -0.12 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.34 3gqk s SER 699 CO -0.00 -0.70 1.75 0.25 0.98 0.00 0.00 173.24 175.52 3gqk h LEU 700 N 2.07 0.07 -2.81 2.42 5.85 -1.33 -1.90 115.31 119.67 3gqk h LEU 700 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3gqk h LEU 700 Cb 1.23 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3gqk h LEU 700 CO 0.61 0.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 3gqk n GLY 701 N -1.14 2.43 2.43 3.75 0.00 -1.26 -4.83 105.19 106.58 3gqk n GLY 701 Ca -0.04 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 3gqk n GLY 701 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqk n GLY 702 N 0.83 1.31 0.00 -0.02 0.00 -0.71 -4.99 105.19 101.60 3gqk n GLY 702 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3gqk n GLY 702 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gqk n GLN 703 N -2.54 2.18 -3.31 1.61 6.02 -1.26 -4.48 117.38 115.60 3gqk n GLN 703 Ca -0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.75 3gqk n GLN 703 Cb 0.54 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.73 3gqk n GLN 703 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gqk s VAL 704 N 0.00 -0.66 -0.37 5.09 1.01 -1.26 -4.41 120.40 119.79 3gqk s VAL 704 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 3gqk s VAL 704 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3gqk s VAL 704 CO 0.00 -0.17 0.45 -0.63 0.00 0.00 0.00 175.10 174.75 3gqk s ILE 705 N 2.58 5.07 0.93 2.22 1.01 -1.26 -5.06 121.20 126.69 3gqk s ILE 705 Ca 0.12 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 3gqk s ILE 705 Cb -0.14 -3.94 0.15 0.00 0.01 0.00 0.00 42.46 38.54 3gqk s ILE 705 CO -0.22 -0.24 1.12 -1.61 0.00 0.00 0.00 174.94 173.99 3gqk s GLU 706 N 2.23 0.96 0.40 2.79 8.01 -1.26 -4.95 118.70 126.87 3gqk s GLU 706 Ca 0.15 1.35 -0.25 0.00 0.01 0.00 0.00 54.97 56.24 3gqk s GLU 706 Cb -0.16 -1.73 -0.09 0.00 -4.31 0.00 0.00 34.13 27.84 3gqk s GLU 706 CO 0.13 -2.61 1.11 0.95 0.01 0.00 0.00 175.26 174.85 3gqk s THR 707 N -2.68 3.45 0.00 3.63 -4.23 -1.26 -3.60 115.64 110.94 3gqk s THR 707 Ca 0.66 1.17 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 3gqk s THR 707 Cb -0.22 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3gqk s THR 707 CO 0.58 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 3gqk n GLY 708 N 0.53 2.98 3.75 3.99 0.00 -1.00 -4.88 105.19 110.56 3gqk n GLY 708 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gqk n GLY 708 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqk s TYR 709 N -2.74 3.37 0.37 1.61 1.51 -1.24 -1.67 117.35 118.57 3gqk s TYR 709 Ca 0.00 1.51 -0.25 0.00 -1.01 0.00 0.00 57.07 57.32 3gqk s TYR 709 Cb 0.00 -3.46 -0.09 0.00 -0.11 0.00 0.00 41.96 38.30 3gqk s TYR 709 CO 0.00 -1.18 1.05 -0.51 -1.11 0.00 0.00 175.55 173.80 3gqk s LEU 710 N -1.12 4.24 0.09 -1.29 1.43 0.60 -2.45 118.68 120.20 3gqk s LEU 710 Ca 0.49 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.70 3gqk s LEU 710 Cb -0.35 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 3gqk s LEU 710 CO 0.43 -0.38 -0.11 0.68 0.23 0.00 0.00 176.35 177.19 3gqk s VAL 711 N -1.55 1.00 0.33 -1.59 -7.23 -0.46 -2.23 120.40 108.67 3gqk s VAL 711 Ca 0.54 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 3gqk s VAL 711 Cb -0.24 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 3gqk s VAL 711 CO 0.30 -0.48 0.15 0.28 -0.31 0.00 0.00 175.10 175.04 3gqk s THR 712 N -2.19 0.42 -0.04 5.32 -1.32 -0.44 -1.57 115.64 115.83 3gqk s THR 712 Ca 0.04 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.51 3gqk s THR 712 Cb -0.04 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 3gqk s THR 712 CO 0.01 0.00 0.07 -0.76 -2.21 0.00 0.00 174.62 171.73 3gqk s LEU 713 N -3.44 3.88 -0.07 9.08 1.43 -1.26 -2.08 118.68 126.21 3gqk s LEU 713 Ca 0.33 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3gqk s LEU 713 Cb 0.04 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.17 3gqk s LEU 713 CO 0.17 0.31 0.16 -0.70 0.23 0.00 0.00 176.35 176.53 3gqk s GLU 714 N -1.45 0.09 -1.04 1.70 2.12 0.51 -4.93 118.70 115.70 3gqk s GLU 714 Ca 0.20 0.44 -0.30 0.00 0.36 0.00 0.00 54.97 55.66 3gqk s GLU 714 Cb -0.12 -0.19 0.04 0.00 0.26 0.00 0.00 34.13 34.12 3gqk s GLU 714 CO 0.10 -0.20 0.58 1.63 -0.54 0.00 0.00 175.26 176.83 3gqk n LYS 715 N 4.50 -0.32 -1.77 4.30 5.02 -1.26 -1.59 118.16 127.04 3gqk n LYS 715 Ca -0.21 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 55.87 3gqk n LYS 715 Cb 0.51 -1.93 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 3gqk n LYS 715 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqk n GLY 716 N -1.94 1.09 3.21 0.72 0.00 -1.26 -4.98 105.19 102.03 3gqk n GLY 716 Ca -0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3gqk n GLY 716 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqk s LYS 717 N -3.93 0.97 -0.09 1.61 1.02 -0.62 -4.86 119.74 113.84 3gqk s LYS 717 Ca 0.00 -1.33 -0.05 0.00 0.02 0.00 0.00 55.97 54.61 3gqk s LYS 717 Cb 0.00 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 3gqk s LYS 717 CO 0.00 -0.30 0.14 0.96 -0.92 0.00 0.00 175.35 175.23 3gqk s ILE 718 N -4.01 5.37 0.25 2.17 -4.36 -0.36 -0.37 121.20 119.90 3gqk s ILE 718 Ca 0.20 0.06 -0.04 0.00 -0.26 0.00 0.00 60.65 60.62 3gqk s ILE 718 Cb 0.06 -3.38 -0.02 0.00 1.25 0.00 0.00 42.46 40.37 3gqk s ILE 718 CO 0.00 0.54 0.30 0.00 0.24 0.00 0.00 174.94 176.02 3gqk s ARG 719 N -1.26 1.47 0.51 0.37 1.70 -0.88 -0.93 118.95 119.93 3gqk s ARG 719 Ca 0.18 -1.58 -0.22 0.00 -0.47 0.00 0.00 55.73 53.64 3gqk s ARG 719 Cb -0.12 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3gqk s ARG 719 CO 0.08 -0.55 1.12 1.63 -1.08 0.00 0.00 175.30 176.50 3gqk n LYS 720 N -0.39 1.38 -3.60 3.89 5.02 -1.26 -1.33 118.16 121.88 3gqk n LYS 720 Ca 0.01 0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 56.45 3gqk n LYS 720 Cb 0.64 -2.28 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 3gqk n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gqk s ALA 721 N -1.35 3.62 0.06 7.82 0.00 -0.95 -4.56 121.76 126.40 3gqk s ALA 721 Ca 0.69 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3gqk s ALA 721 Cb -0.46 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3gqk s ALA 721 CO 0.52 0.08 0.00 0.39 0.00 0.00 0.00 175.76 176.75 3gqk n GLU 722 N 3.64 1.16 -1.39 0.00 -0.58 -1.26 -1.04 120.64 121.17 3gqk n GLU 722 Ca -0.13 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.30 3gqk n GLU 722 Cb 0.52 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.47 3gqk n GLU 722 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3gqk s LYS 723 N -1.50 2.34 0.00 3.49 2.20 -0.59 -3.78 119.74 121.90 3gqk s LYS 723 Ca 0.00 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 3gqk s LYS 723 Cb 0.00 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 3gqk s LYS 723 CO 0.00 -1.53 0.00 0.41 -0.36 0.00 0.00 175.35 173.87 3gqk n GLY 724 N -1.57 0.29 3.51 5.54 0.00 -1.26 -4.89 105.19 106.81 3gqk n GLY 724 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3gqk n GLY 724 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqk n GLU 725 N 0.00 0.54 -2.87 1.61 1.02 -1.25 -4.95 120.64 114.74 3gqk n GLU 725 Ca 0.00 0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 56.95 3gqk n GLU 725 Cb 0.00 -1.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 3gqk n GLU 725 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gqk s LYS 726 N -2.51 4.38 -0.33 3.49 1.02 -1.26 -4.91 119.74 119.61 3gqk s LYS 726 Ca 0.70 1.09 -0.25 0.00 0.02 0.00 0.00 55.97 57.54 3gqk s LYS 726 Cb -0.40 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.39 3gqk s LYS 726 CO 0.53 -0.20 0.87 0.42 -0.92 0.00 0.00 175.35 176.05 3gqk s ILE 727 N 1.66 4.69 -0.07 2.17 1.01 -1.26 -4.48 121.20 124.93 3gqk s ILE 727 Ca 0.41 1.22 0.14 0.00 0.00 0.00 0.00 60.65 62.42 3gqk s ILE 727 Cb -0.18 -4.25 -0.19 0.00 0.01 0.00 0.00 42.46 37.85 3gqk s ILE 727 CO 0.17 -0.39 0.75 0.16 0.00 0.00 0.00 174.94 175.63 3gqk h ILE 728 N 5.70 0.76 -0.14 2.92 -0.00 -1.67 -3.50 117.51 121.58 3gqk h ILE 728 Ca -0.23 -2.48 0.00 0.00 -0.00 0.00 0.00 64.86 62.14 3gqk h ILE 728 Cb 1.09 2.30 0.00 0.00 -0.00 0.00 0.00 36.82 40.21 3gqk h ILE 728 CO 0.94 0.43 0.00 0.61 -0.00 0.00 0.00 178.15 180.13 3gqk n GLY 729 N 1.49 1.06 2.94 0.16 0.00 -1.21 -4.67 105.19 104.97 3gqk n GLY 729 Ca -0.14 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 3gqk n GLY 729 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqk s VAL 730 N -2.10 -0.01 0.28 1.61 1.01 -0.95 -1.35 120.40 118.88 3gqk s VAL 730 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3gqk s VAL 730 Cb 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 36.38 36.13 3gqk s VAL 730 CO 0.00 0.02 1.51 -0.63 0.00 0.00 0.00 175.10 176.00 3gqk s ILE 731 N 0.28 2.36 0.00 2.22 -1.09 -1.02 -0.06 121.20 123.89 3gqk s ILE 731 Ca -0.02 0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 3gqk s ILE 731 Cb -0.03 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 3gqk s ILE 731 CO -0.01 0.05 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.15 3gqk s SER 732 N 0.38 0.55 0.00 3.58 0.15 -0.02 -2.36 113.70 115.98 3gqk s SER 732 Ca 0.61 -0.16 0.08 0.00 0.70 0.00 0.00 55.95 57.17 3gqk s SER 732 Cb -0.45 -0.04 0.13 0.00 -1.71 0.00 0.00 66.02 63.95 3gqk s SER 732 CO 0.46 0.01 0.93 -0.62 1.20 0.00 0.00 173.24 175.22 3gqk n GLU 733 N 2.71 1.25 -0.35 5.44 1.02 -1.26 -4.63 120.64 124.82 3gqk n GLU 733 Ca -0.14 -1.35 0.08 0.00 -0.02 0.00 0.00 57.16 55.73 3gqk n GLU 733 Cb 0.58 -1.17 0.25 0.00 -0.02 0.00 0.00 31.44 31.08 3gqk n GLU 733 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gqk n THR 734 N 0.36 1.31 -2.44 2.62 -2.24 -1.26 -5.01 114.28 107.62 3gqk n THR 734 Ca 0.06 -1.13 -0.43 0.00 -2.27 0.00 0.00 64.05 60.28 3gqk n THR 734 Cb 0.27 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 3gqk n THR 734 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqk s ALA 735 N -1.37 3.58 -0.34 6.98 0.00 -1.26 -3.24 121.76 126.12 3gqk s ALA 735 Ca 0.38 0.55 0.23 0.00 0.00 0.00 0.00 51.96 53.11 3gqk s ALA 735 Cb 0.22 -3.57 0.17 0.00 0.00 0.00 0.00 23.12 19.94 3gqk s ALA 735 CO 0.22 -0.97 1.31 0.78 0.00 0.00 0.00 175.76 177.10 3gqk h GLY 736 N 8.95 0.00 -6.74 0.00 0.00 -1.84 -3.45 103.07 99.99 3gqk h GLY 736 Ca -0.30 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.76 3gqk h GLY 736 CO 0.92 0.00 -0.59 -1.36 0.00 0.00 0.00 176.54 175.51 3gqk s PHE 737 N -3.29 -0.29 -0.02 5.60 0.08 -1.25 -5.09 117.98 113.73 3gqk s PHE 737 Ca 0.03 0.73 0.01 0.00 0.12 0.00 0.00 56.93 57.82 3gqk s PHE 737 Cb 0.08 -0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.36 3gqk s PHE 737 CO 0.73 -0.34 -0.03 0.54 -0.10 0.00 0.00 175.22 176.03 3gqk s VAL 738 N 2.35 0.31 0.03 -0.44 0.11 -1.26 -1.15 120.40 120.36 3gqk s VAL 738 Ca 0.03 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 3gqk s VAL 738 Cb -0.12 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3gqk s VAL 738 CO -0.07 0.14 0.13 -0.76 -3.33 0.00 0.00 175.10 171.20 3gqk s LEU 739 N 0.51 4.08 0.00 2.54 1.43 -0.48 -4.63 118.68 122.13 3gqk s LEU 739 Ca -0.05 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3gqk s LEU 739 Cb -0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3gqk s LEU 739 CO -0.01 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3gqk n GLY 740 N 0.75 0.81 3.46 -3.19 0.00 -1.26 0.36 105.19 106.11 3gqk n GLY 740 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3gqk n GLY 740 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gqk s GLU 741 N -0.96 3.55 -0.24 1.61 -1.05 -1.26 -4.77 118.70 115.58 3gqk s GLU 741 Ca 0.00 -1.64 -0.29 0.00 -0.15 0.00 0.00 54.97 52.89 3gqk s GLU 741 Cb 0.00 -4.88 -0.00 0.00 -0.44 0.00 0.00 34.13 28.80 3gqk s GLU 741 CO 0.00 -1.80 1.28 -1.12 0.95 0.00 0.00 175.26 174.57 3gqk s SER 742 N 3.73 6.79 -0.03 0.83 0.01 -1.26 -4.95 113.70 118.81 3gqk s SER 742 Ca 0.32 1.41 0.05 0.00 1.31 0.00 0.00 55.95 59.04 3gqk s SER 742 Cb -0.06 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.71 3gqk s SER 742 CO -0.08 -0.94 0.91 -1.54 0.41 0.00 0.00 173.24 172.00 3gqk n SER 743 N 7.20 1.16 0.00 2.44 3.41 -1.26 -3.44 113.62 123.14 3gqk n SER 743 Ca 0.14 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3gqk n SER 743 Cb 0.46 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3gqk n SER 743 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gqk n PHE 744 N -0.50 0.00 -3.51 7.33 0.99 -1.26 -4.82 117.46 115.69 3gqk n PHE 744 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.40 3gqk n PHE 744 Cb 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.96 3gqk n PHE 744 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 3gqk s GLU 745 N 0.00 0.79 0.18 -1.08 -1.05 -1.26 -5.12 118.70 111.16 3gqk s GLU 745 Ca 0.00 -0.27 -0.33 0.00 -0.15 0.00 0.00 54.97 54.22 3gqk s GLU 745 Cb 0.00 0.36 -0.14 0.00 -0.44 0.00 0.00 34.13 33.92 3gqk s GLU 745 CO 0.00 -0.34 1.51 1.87 0.95 0.00 0.00 175.26 179.24 3gqk n TRP 746 N -0.18 2.18 0.30 4.83 -0.00 -1.26 -4.79 117.44 118.52 3gqk n TRP 746 Ca -0.09 0.35 0.09 0.00 -0.00 0.00 0.00 57.50 57.85 3gqk n TRP 746 Cb 0.61 -2.50 0.46 0.00 -0.00 0.00 0.00 31.31 29.88 3gqk n TRP 746 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 177.69 177.13 3gqk h GLN 747 N 5.29 0.00 -0.01 5.87 -0.00 -1.98 -0.19 115.11 124.09 3gqk h GLN 747 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 3gqk h GLN 747 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 3gqk h GLN 747 CO 0.84 0.00 -0.57 0.41 -0.00 0.00 0.00 178.83 179.51 3gqk n GLY 748 N -1.32 -0.27 0.30 0.06 0.00 -1.26 -4.62 105.19 98.08 3gqk n GLY 748 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.49 3gqk n GLY 748 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqk n ALA 749 N -0.58 0.02 -2.82 4.61 0.00 -0.08 -4.18 120.51 117.48 3gqk n ALA 749 Ca 0.06 0.82 -0.34 0.00 0.00 0.00 0.00 53.44 53.98 3gqk n ALA 749 Cb 0.36 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 3gqk n ALA 749 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gqk s VAL 750 N -5.85 5.36 0.71 0.00 1.01 -1.26 -1.20 120.40 119.16 3gqk s VAL 750 Ca -0.11 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 3gqk s VAL 750 Cb 0.18 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 33.04 3gqk s VAL 750 CO 0.59 0.37 1.09 -0.76 0.00 0.00 0.00 175.10 176.39 3gqk s LEU 751 N -1.77 3.20 0.01 3.92 1.43 0.23 -4.73 118.68 120.98 3gqk s LEU 751 Ca 0.27 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3gqk s LEU 751 Cb -0.13 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.55 3gqk s LEU 751 CO 0.16 -1.74 -0.01 -0.54 0.23 0.00 0.00 176.35 174.45 3gqk s LYS 752 N -4.61 0.28 0.00 1.70 1.02 -1.26 -2.81 119.74 114.06 3gqk s LYS 752 Ca 0.63 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.13 3gqk s LYS 752 Cb -0.17 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 3gqk s LYS 752 CO 0.50 -0.05 0.00 0.27 -0.92 0.00 0.00 175.35 175.15 3gqk n ASN 753 N 1.83 -0.63 0.21 2.83 0.23 0.14 -4.83 115.26 115.03 3gqk n ASN 753 Ca -0.22 -0.39 0.15 0.00 -0.53 0.00 0.00 54.58 53.59 3gqk n ASN 753 Cb 0.56 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.87 3gqk n ASN 753 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gqk h GLU 754 N 0.00 0.00 -0.43 -3.83 4.11 -2.02 -2.91 114.58 109.50 3gqk h GLU 754 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3gqk h GLU 754 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3gqk h GLU 754 CO 0.00 0.00 0.02 1.19 0.07 0.00 0.00 179.01 180.29 3gqk n PHE 755 N -2.71 1.53 -0.52 2.06 3.72 -1.26 -4.94 117.46 115.34 3gqk n PHE 755 Ca 0.01 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 3gqk n PHE 755 Cb 0.26 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3gqk n PHE 755 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqk n GLY 756 N -0.03 1.64 3.75 1.37 0.00 -1.10 -4.99 105.19 105.82 3gqk n GLY 756 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 3gqk n GLY 756 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqk s GLY 757 N -2.00 2.96 -0.16 -0.02 0.00 -1.26 -4.73 107.32 102.11 3gqk s GLY 757 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 44.72 44.82 3gqk s GLY 757 CO 0.00 1.14 1.89 1.39 0.00 0.00 0.00 173.10 177.52 3gqk n ILE 758 N 2.13 0.49 -2.43 0.90 5.41 -1.26 -0.69 119.36 123.90 3gqk n ILE 758 Ca -0.02 -0.11 -0.42 0.00 1.00 0.00 0.00 62.75 63.19 3gqk n ILE 758 Cb 0.49 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.67 3gqk n ILE 758 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gqk s ILE 759 N 4.34 4.22 -0.14 1.39 1.01 -1.12 -4.84 121.20 126.05 3gqk s ILE 759 Ca 0.96 1.54 -0.03 0.00 0.00 0.00 0.00 60.65 63.11 3gqk s ILE 759 Cb -0.79 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 3gqk s ILE 759 CO 0.55 -0.03 -0.04 -0.31 0.00 0.00 0.00 174.94 175.11 3gqk s TYR 760 N 2.52 3.02 0.30 3.97 1.51 -1.26 -2.83 117.35 124.58 3gqk s TYR 760 Ca 0.56 -0.23 -0.19 0.00 -1.01 0.00 0.00 57.07 56.20 3gqk s TYR 760 Cb -0.24 -1.92 -0.09 0.00 -0.11 0.00 0.00 41.96 39.60 3gqk s TYR 760 CO 0.21 0.04 0.79 -1.83 -1.11 0.00 0.00 175.55 173.65 3gqk s GLU 761 N 0.13 4.21 -0.38 -0.62 -1.05 -0.56 -4.86 118.70 115.57 3gqk s GLU 761 Ca -0.01 0.90 -0.15 0.00 -0.15 0.00 0.00 54.97 55.56 3gqk s GLU 761 Cb -0.14 -2.63 0.00 0.00 -0.44 0.00 0.00 34.13 30.93 3gqk s GLU 761 CO 0.03 0.25 0.32 -2.00 0.95 0.00 0.00 175.26 174.80 3gqk s GLU 762 N -2.47 3.24 -0.04 -4.83 2.12 -1.26 -2.19 118.70 113.26 3gqk s GLU 762 Ca 0.50 -0.77 -0.07 0.00 0.36 0.00 0.00 54.97 55.00 3gqk s GLU 762 Cb -0.14 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 3gqk s GLU 762 CO 0.19 -0.64 0.21 0.08 -0.54 0.00 0.00 175.26 174.56 3gqk s VAL 763 N 1.83 5.39 0.11 3.70 1.01 -0.50 -4.97 120.40 126.97 3gqk s VAL 763 Ca 0.08 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.31 3gqk s VAL 763 Cb -0.18 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3gqk s VAL 763 CO 0.11 0.47 -0.23 -0.89 0.00 0.00 0.00 175.10 174.56 3gqk s THR 764 N -1.19 1.88 0.00 3.92 2.01 -1.26 -2.79 115.64 118.21 3gqk s THR 764 Ca 0.22 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.62 3gqk s THR 764 Cb -0.13 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.69 3gqk s THR 764 CO 0.12 -0.01 0.00 0.41 -0.69 0.00 0.00 174.62 174.45 3gqk n THR 765 N 1.04 0.00 -2.50 -0.82 -1.04 -1.15 -4.94 114.28 104.86 3gqk n THR 765 Ca -0.19 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 3gqk n THR 765 Cb 0.53 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 3gqk n THR 765 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gqk s GLU 766 N 2.88 3.30 -0.37 -2.82 2.02 -1.26 -3.53 118.70 118.93 3gqk s GLU 766 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3gqk s GLU 766 Cb 0.00 -4.73 0.00 0.00 0.10 0.00 0.00 34.13 29.50 3gqk s GLU 766 CO 0.00 -2.26 0.00 -3.47 0.02 0.00 0.00 175.26 169.55 3gqk n ASP 767 N 9.56 -2.85 0.00 -0.19 4.64 -1.26 -3.87 116.55 122.58 3gqk n ASP 767 Ca 0.18 0.09 0.00 0.00 -1.38 0.00 0.00 54.79 53.68 3gqk n ASP 767 Cb 0.50 -2.19 0.00 0.00 -1.04 0.00 0.00 41.12 38.39 3gqk n ASP 767 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gqk n GLY 768 N 0.26 0.80 3.71 0.27 0.00 -1.23 -5.08 105.19 103.93 3gqk n GLY 768 Ca -0.03 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3gqk n GLY 768 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqk s VAL 769 N -1.71 4.98 -0.09 1.61 -7.23 -1.25 -4.81 120.40 111.90 3gqk s VAL 769 Ca 0.00 1.61 0.01 0.00 -1.81 0.00 0.00 61.98 61.79 3gqk s VAL 769 Cb 0.00 -4.12 -0.02 0.00 0.56 0.00 0.00 36.38 32.80 3gqk s VAL 769 CO 0.00 0.20 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.34 3gqk s LYS 770 N 1.04 2.94 0.07 4.82 1.02 -1.26 -2.94 119.74 125.43 3gqk s LYS 770 Ca 0.41 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.70 3gqk s LYS 770 Cb -0.18 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3gqk s LYS 770 CO 0.20 0.47 0.09 -0.59 -0.92 0.00 0.00 175.35 174.59 3gqk s PHE 771 N -0.30 0.32 -0.16 3.18 -0.12 -1.12 -4.99 117.98 114.78 3gqk s PHE 771 Ca 0.03 -0.80 -0.06 0.00 -0.05 0.00 0.00 56.93 56.06 3gqk s PHE 771 Cb -0.13 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.02 3gqk s PHE 771 CO 0.03 -0.46 0.04 -1.59 -0.05 0.00 0.00 175.22 173.18 3gqk s LYS 772 N -3.83 3.77 0.01 1.99 -2.85 -1.26 -1.41 119.74 116.16 3gqk s LYS 772 Ca 0.05 -0.37 0.05 0.00 -1.00 0.00 0.00 55.97 54.70 3gqk s LYS 772 Cb 0.06 -3.10 -0.01 0.00 -2.06 0.00 0.00 37.83 32.71 3gqk s LYS 772 CO -0.10 0.35 -0.14 -0.98 0.10 0.00 0.00 175.35 174.58 3gqk s ARG 773 N 0.13 1.05 0.85 1.78 1.70 -0.93 -4.95 118.95 118.59 3gqk s ARG 773 Ca 0.04 -0.60 -0.13 0.00 -0.47 0.00 0.00 55.73 54.57 3gqk s ARG 773 Cb -0.13 -1.04 0.06 0.00 -0.57 0.00 0.00 34.95 33.28 3gqk s ARG 773 CO 0.01 0.27 0.88 -0.35 -1.08 0.00 0.00 175.30 175.03 3gqk n PRO 774 N 2.41 -0.04 -3.85 3.89 -0.04 -1.26 -1.50 135.00 134.61 3gqk n PRO 774 Ca -0.16 0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 3gqk n PRO 774 Cb 0.55 -2.18 -0.12 0.00 -0.04 0.00 0.00 33.50 31.71 3gqk n PRO 774 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gqk s LEU 775 N -3.79 4.88 0.56 1.53 2.96 -1.13 -4.73 118.68 118.97 3gqk s LEU 775 Ca 0.67 -2.64 -0.21 0.00 -0.22 0.00 0.00 54.13 51.72 3gqk s LEU 775 Cb -0.27 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3gqk s LEU 775 CO 0.58 -0.36 1.30 -2.65 -1.32 0.00 0.00 176.35 173.90 3gqk n PRO 776 N 3.69 1.52 -2.35 0.98 -0.02 -1.26 -0.60 135.00 136.96 3gqk n PRO 776 Ca 0.04 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 3gqk n PRO 776 Cb 0.37 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 3gqk n PRO 776 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3gqk s ASN 777 N -1.01 6.46 0.31 2.55 2.47 -0.34 -4.62 114.94 120.76 3gqk s ASN 777 Ca 0.73 2.25 0.03 0.00 0.42 0.00 0.00 52.86 56.30 3gqk s ASN 777 Cb -0.42 -2.60 0.51 0.00 -1.45 0.00 0.00 41.25 37.29 3gqk s ASN 777 CO 0.48 -0.71 1.81 -0.65 -3.72 0.00 0.00 177.10 174.31 3gqk h PRO 778 N 2.40 0.52 0.00 0.43 0.11 -1.92 -3.07 132.00 130.47 3gqk h PRO 778 Ca -0.49 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3gqk h PRO 778 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gqk h PRO 778 CO 0.62 0.62 0.00 -0.25 -0.21 0.00 0.00 178.00 178.78 3gqk n ASP 779 N -4.22 0.00 -4.77 -2.05 9.92 -1.26 -4.91 116.55 109.27 3gqk n ASP 779 Ca 0.01 -0.38 -0.41 0.00 -0.53 0.00 0.00 54.79 53.48 3gqk n ASP 779 Cb 0.31 -0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 40.57 3gqk n ASP 779 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3gqk s PHE 780 N -2.40 3.05 -0.25 1.24 2.19 -1.16 -5.02 117.98 115.63 3gqk s PHE 780 Ca 0.33 1.40 -0.01 0.00 0.33 0.00 0.00 56.93 58.98 3gqk s PHE 780 Cb 0.20 -3.68 0.08 0.00 -1.31 0.00 0.00 43.02 38.30 3gqk s PHE 780 CO 0.41 -1.88 0.03 0.34 1.83 0.00 0.00 175.22 175.95 3gqk s ASP 781 N -0.45 3.64 0.00 6.13 3.68 -1.26 -4.96 116.67 123.45 3gqk s ASP 781 Ca 0.49 -1.26 0.22 0.00 2.13 0.00 0.00 52.55 54.14 3gqk s ASP 781 Cb -0.40 -0.90 1.22 0.00 -1.45 0.00 0.00 42.92 41.40 3gqk s ASP 781 CO 0.52 -0.33 1.70 -0.81 0.13 0.00 0.00 175.17 176.39 3gqk n PRO 782 N 4.84 0.52 0.06 4.34 -0.04 -1.26 -2.18 135.00 141.28 3gqk n PRO 782 Ca -0.07 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.36 3gqk n PRO 782 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 3gqk n PRO 782 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3gqk h ASN 783 N 0.00 0.00 -3.99 3.54 4.21 -2.02 -3.45 115.58 113.87 3gqk h ASN 783 Ca 0.00 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.01 3gqk h ASN 783 Cb 0.09 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.34 3gqk h ASN 783 CO 0.00 0.96 0.46 -0.54 -1.29 0.00 0.00 177.43 177.02 3gqk s LYS 784 N -2.72 3.89 -0.16 0.81 -0.14 -0.93 -5.06 119.74 115.44 3gqk s LYS 784 Ca 0.01 1.70 -0.03 0.00 -1.36 0.00 0.00 55.97 56.28 3gqk s LYS 784 Cb 0.10 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 3gqk s LYS 784 CO 0.82 -0.42 -0.05 1.21 -0.76 0.00 0.00 175.35 176.15 3gqk s ASN 785 N -1.41 4.60 -0.15 2.83 2.47 -1.26 -4.98 114.94 117.03 3gqk s ASN 785 Ca 0.62 -0.20 -0.21 0.00 0.42 0.00 0.00 52.86 53.48 3gqk s ASN 785 Cb -0.27 -1.75 -0.03 0.00 -1.45 0.00 0.00 41.25 37.75 3gqk s ASN 785 CO 0.33 0.13 0.61 -0.47 -3.72 0.00 0.00 177.10 173.98 3gqk s TYR 786 N 0.57 3.45 -0.26 0.43 6.14 -1.26 -5.06 117.35 121.35 3gqk s TYR 786 Ca -0.04 0.98 -0.09 0.00 0.64 0.00 0.00 57.07 58.57 3gqk s TYR 786 Cb -0.15 -2.74 -0.04 0.00 0.42 0.00 0.00 41.96 39.46 3gqk s TYR 786 CO 0.03 -0.04 0.11 0.42 0.64 0.00 0.00 175.55 176.71 3gqk s ILE 787 N 1.39 4.69 1.03 3.14 1.09 -1.26 -5.01 121.20 126.28 3gqk s ILE 787 Ca 0.30 -0.04 -0.15 0.00 -1.10 0.00 0.00 60.65 59.66 3gqk s ILE 787 Cb -0.16 -3.21 0.09 0.00 -1.06 0.00 0.00 42.46 38.12 3gqk s ILE 787 CO 0.12 0.31 0.37 -2.65 -0.10 0.00 0.00 174.94 172.99 3gqk n PRO 788 N 4.91 -0.97 0.15 2.79 -0.02 -1.26 -4.85 135.00 135.76 3gqk n PRO 788 Ca -0.15 -0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.09 3gqk n PRO 788 Cb 0.52 -1.86 0.20 0.00 -0.02 0.00 0.00 33.50 32.33 3gqk n PRO 788 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqk h ARG 789 N -1.87 0.00 -0.26 -0.52 3.08 -1.93 -3.06 114.38 109.83 3gqk h ARG 789 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3gqk h ARG 789 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3gqk h ARG 789 CO 0.37 0.53 0.00 -1.13 -1.07 0.00 0.00 179.97 178.68 3gqk n SER 790 N -3.57 0.26 0.00 7.04 3.41 -1.26 -3.01 113.62 116.49 3gqk n SER 790 Ca -0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3gqk n SER 790 Cb 0.61 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3gqk n SER 790 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqk n GLN 791 N -0.30 2.96 -2.09 4.33 6.02 -1.16 -5.06 117.38 122.08 3gqk n GLN 791 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 3gqk n GLN 791 Cb 0.06 -0.72 0.01 0.00 1.02 0.00 0.00 30.24 30.62 3gqk n GLN 791 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3gqk s ARG 792 N -1.01 3.34 0.03 -1.09 3.00 -1.16 -5.00 118.95 117.05 3gqk s ARG 792 Ca 0.00 1.25 0.20 0.00 0.00 0.00 0.00 55.73 57.18 3gqk s ARG 792 Cb 0.00 -2.03 -0.18 0.00 0.00 0.00 0.00 34.95 32.74 3gqk s ARG 792 CO 0.00 -0.80 0.66 0.54 0.00 0.00 0.00 175.30 175.70 3gqk n ARG 793 N -1.90 0.64 0.19 3.54 1.74 -1.26 -3.89 116.66 115.71 3gqk n ARG 793 Ca 0.09 0.05 0.14 0.00 -0.77 0.00 0.00 57.85 57.36 3gqk n ARG 793 Cb 0.53 -1.69 0.54 0.00 -1.02 0.00 0.00 32.46 30.82 3gqk n ARG 793 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 3gqk h GLU 794 N 0.00 0.00 -5.28 5.56 9.09 -1.79 -3.43 114.58 118.74 3gqk h GLU 794 Ca -0.14 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.65 3gqk h GLU 794 Cb 1.39 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.36 3gqk h GLU 794 CO 0.02 0.00 -0.22 -1.58 0.05 0.00 0.00 179.01 177.28 3gqk s TRP 795 N -3.43 3.30 0.04 2.06 0.52 -1.25 -0.55 118.94 119.64 3gqk s TRP 795 Ca 0.04 0.50 0.08 0.00 0.02 0.00 0.00 56.10 56.74 3gqk s TRP 795 Cb 0.09 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 3gqk s TRP 795 CO 0.47 -0.12 -0.21 -1.01 0.02 0.00 0.00 176.95 176.10 3gqk s HIS 796 N 1.71 2.48 -0.46 -1.98 3.76 0.26 -4.93 115.29 116.13 3gqk s HIS 796 Ca 0.17 -0.31 -0.26 0.00 -0.15 0.00 0.00 55.06 54.51 3gqk s HIS 796 Cb -0.15 -1.44 0.03 0.00 1.11 0.00 0.00 32.58 32.13 3gqk s HIS 796 CO 0.09 0.22 0.98 0.08 -0.85 0.00 0.00 174.74 175.26 3gqk s VAL 797 N -0.89 4.40 -0.25 -0.90 1.01 -1.26 -0.71 120.40 121.80 3gqk s VAL 797 Ca 0.14 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 62.94 3gqk s VAL 797 Cb -0.10 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 3gqk s VAL 797 CO 0.04 -0.88 0.05 -0.69 0.00 0.00 0.00 175.10 173.63 3gqk s VAL 798 N 3.94 4.14 -0.10 2.92 1.01 0.44 -0.84 120.40 131.90 3gqk s VAL 798 Ca 0.40 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3gqk s VAL 798 Cb -0.09 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3gqk s VAL 798 CO 0.28 0.33 0.82 -0.83 0.00 0.00 0.00 175.10 175.69 3gqk s GLY 799 N 1.58 2.45 -0.04 4.51 0.00 0.91 -0.42 107.32 116.31 3gqk s GLY 799 Ca 0.06 0.18 0.10 0.00 0.00 0.00 0.00 44.72 45.06 3gqk s GLY 799 CO 0.02 1.50 0.17 1.04 0.00 0.00 0.00 173.10 175.83 3gqk n LEU 800 N 4.44 0.00 -3.73 0.66 4.77 0.05 -2.24 117.00 120.94 3gqk n LEU 800 Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 3gqk n LEU 800 Cb 0.50 0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3gqk n LEU 800 CO 0.49 0.08 0.01 -0.22 -1.33 0.00 0.00 177.39 176.41 3gqk s LEU 801 N -4.06 0.33 0.00 2.23 2.96 -0.90 -4.33 118.68 114.91 3gqk s LEU 801 Ca -0.04 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3gqk s LEU 801 Cb 0.06 1.18 0.00 0.00 0.50 0.00 0.00 46.19 47.93 3gqk s LEU 801 CO 0.43 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.92 3gqk n GLY 802 N 3.64 -0.29 3.63 7.98 0.00 0.84 -1.21 105.19 119.77 3gqk n GLY 802 Ca -0.19 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 3gqk n GLY 802 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqk s GLN 803 N -0.70 3.81 -0.04 1.61 -0.21 -1.26 -1.42 119.66 121.46 3gqk s GLN 803 Ca 0.00 1.41 0.03 0.00 0.02 0.00 0.00 55.36 56.82 3gqk s GLN 803 Cb 0.00 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 30.04 3gqk s GLN 803 CO 0.00 -1.26 -0.13 0.42 -2.12 0.00 0.00 175.29 172.20 3gqk s ILE 804 N 4.91 1.08 0.13 1.08 1.01 0.08 -4.39 121.20 125.10 3gqk s ILE 804 Ca 0.64 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 3gqk s ILE 804 Cb -0.20 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 3gqk s ILE 804 CO 0.27 0.33 1.21 0.00 0.00 0.00 0.00 174.94 176.75 3gqk s ALA 805 N 0.22 3.43 0.01 9.38 0.00 -1.26 -1.50 121.76 132.04 3gqk s ALA 805 Ca -0.05 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.88 3gqk s ALA 805 Cb -0.11 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3gqk s ALA 805 CO 0.02 -0.41 -0.15 0.08 0.00 0.00 0.00 175.76 175.29 3gqk s VAL 806 N 0.50 1.21 0.05 0.00 1.01 0.16 -4.40 120.40 118.93 3gqk s VAL 806 Ca 0.56 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 3gqk s VAL 806 Cb -0.32 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 3gqk s VAL 806 CO 0.33 0.22 1.57 -0.13 0.00 0.00 0.00 175.10 177.09 3gqk s ARG 807 N -0.68 4.23 0.22 2.72 0.52 -0.67 -0.79 118.95 124.50 3gqk s ARG 807 Ca 0.05 2.21 0.10 0.00 -0.52 0.00 0.00 55.73 57.57 3gqk s ARG 807 Cb -0.07 -3.59 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 3gqk s ARG 807 CO 0.00 -0.68 -0.19 0.96 0.02 0.00 0.00 175.30 175.41 3gqk s ILE 808 N 2.55 2.17 0.00 1.52 -4.36 0.44 0.19 121.20 123.69 3gqk s ILE 808 Ca 0.70 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 3gqk s ILE 808 Cb -0.37 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.23 3gqk s ILE 808 CO 0.30 -0.36 0.00 -0.90 0.24 0.00 0.00 174.94 174.22 3gqk n ASP 809 N -0.19 0.00 0.26 4.36 3.85 -0.95 0.26 116.55 124.15 3gqk n ASP 809 Ca -0.09 -0.95 0.11 0.00 -0.71 0.00 0.00 54.79 53.15 3gqk n ASP 809 Cb 0.59 0.00 0.71 0.00 -1.35 0.00 0.00 41.12 41.07 3gqk n ASP 809 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3gqk h GLU 810 N 0.00 0.00 -0.03 0.11 9.09 -1.91 -3.20 114.58 118.64 3gqk h GLU 810 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.26 3gqk h GLU 810 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3gqk h GLU 810 CO 0.00 0.10 -0.68 1.79 0.05 0.00 0.00 179.01 180.27 3gqk h THR 811 N 0.00 1.44 -3.18 -1.06 1.35 -1.94 -3.46 112.91 106.05 3gqk h THR 811 Ca -0.00 -2.22 -0.53 0.00 -0.55 0.00 0.00 66.41 63.11 3gqk h THR 811 Cb 0.22 2.18 0.05 0.00 -1.73 0.00 0.00 68.15 68.88 3gqk h THR 811 CO 0.01 0.65 0.81 -0.69 -0.25 0.00 0.00 175.52 176.05 3gqk s VAL 812 N -3.55 2.59 0.11 6.82 1.01 -1.21 -4.47 120.40 121.70 3gqk s VAL 812 Ca -0.03 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.49 3gqk s VAL 812 Cb 0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3gqk s VAL 812 CO 0.79 0.06 -0.16 -0.54 0.00 0.00 0.00 175.10 175.25 3gqk s LYS 813 N 0.14 1.02 0.46 2.72 1.02 -1.26 -4.99 119.74 118.85 3gqk s LYS 813 Ca 0.63 -1.16 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 3gqk s LYS 813 Cb -0.43 -1.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.72 3gqk s LYS 813 CO 0.40 0.23 1.04 0.94 -0.92 0.00 0.00 175.35 177.04 3gqk n GLN 814 N 0.86 1.35 -1.02 1.68 7.27 -1.26 -2.35 117.38 123.91 3gqk n GLN 814 Ca -0.18 0.49 -0.01 0.00 0.07 0.00 0.00 57.00 57.37 3gqk n GLN 814 Cb 0.55 -2.13 -0.00 0.00 2.41 0.00 0.00 30.24 31.07 3gqk n GLN 814 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gqk n GLY 815 N 1.14 0.16 3.51 1.69 0.00 -0.65 -4.97 105.19 106.06 3gqk n GLY 815 Ca 0.10 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3gqk n GLY 815 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gqk s HIS 816 N -1.24 2.50 1.04 1.61 3.76 -0.99 -4.81 115.29 117.16 3gqk s HIS 816 Ca 0.00 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 3gqk s HIS 816 Cb 0.00 -1.25 0.21 0.00 1.11 0.00 0.00 32.58 32.66 3gqk s HIS 816 CO 0.00 0.49 1.18 -1.12 -0.85 0.00 0.00 174.74 174.43 3gqk s SER 817 N -2.65 2.37 0.03 1.40 0.01 -1.26 -1.46 113.70 112.14 3gqk s SER 817 Ca 0.22 0.66 -0.00 0.00 1.31 0.00 0.00 55.95 58.13 3gqk s SER 817 Cb -0.09 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 3gqk s SER 817 CO 0.12 -3.23 -0.03 0.27 0.41 0.00 0.00 173.24 170.79 3gqk s ILE 818 N -3.33 0.15 0.08 1.44 -4.36 0.11 -2.27 121.20 113.03 3gqk s ILE 818 Ca 0.69 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.89 3gqk s ILE 818 Cb -0.10 -0.68 -0.00 0.00 1.25 0.00 0.00 42.46 42.93 3gqk s ILE 818 CO 0.54 -0.66 0.00 0.47 0.24 0.00 0.00 174.94 175.53 3gqk n ASP 819 N 1.11 2.20 -3.91 4.36 10.43 0.28 -0.60 116.55 130.41 3gqk n ASP 819 Ca -0.21 -1.36 -0.12 0.00 2.57 0.00 0.00 54.79 55.67 3gqk n ASP 819 Cb 0.57 0.06 -0.13 0.00 1.84 0.00 0.00 41.12 43.46 3gqk n ASP 819 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gqk s ALA 820 N -2.14 0.11 -0.09 2.24 0.00 -1.26 -0.57 121.76 120.05 3gqk s ALA 820 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3gqk s ALA 820 Cb 0.00 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.18 3gqk s ALA 820 CO 0.00 -0.02 0.20 0.08 0.00 0.00 0.00 175.76 176.02 3gqk s VAL 821 N -0.38 -0.04 0.00 0.00 1.01 -0.65 -1.54 120.40 118.80 3gqk s VAL 821 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3gqk s VAL 821 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3gqk s VAL 821 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3gqk n GLY 822 N 4.07 0.24 2.20 4.51 0.00 -1.23 -1.97 105.19 113.02 3gqk n GLY 822 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3gqk n GLY 822 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqk n GLY 823 N -0.90 2.26 3.82 -0.02 0.00 -0.21 -4.76 105.19 105.38 3gqk n GLY 823 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3gqk n GLY 823 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqk s VAL 824 N -2.51 4.57 0.54 1.61 1.01 -0.83 -0.29 120.40 124.50 3gqk s VAL 824 Ca 0.00 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 63.03 3gqk s VAL 824 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3gqk s VAL 824 CO 0.00 0.16 1.21 0.00 0.00 0.00 0.00 175.10 176.48 3gqk s ALA 825 N -1.57 2.73 -0.10 5.51 0.00 0.13 -1.64 121.76 126.82 3gqk s ALA 825 Ca 0.44 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 3gqk s ALA 825 Cb -0.16 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.56 3gqk s ALA 825 CO 0.21 -1.01 0.39 -0.08 0.00 0.00 0.00 175.76 175.27 3gqk s THR 826 N -1.55 0.02 0.15 0.00 -1.32 0.27 -2.24 115.64 110.96 3gqk s THR 826 Ca 0.72 -0.16 -0.32 0.00 -1.21 0.00 0.00 61.69 60.73 3gqk s THR 826 Cb -0.31 -0.60 -0.18 0.00 -1.51 0.00 0.00 72.50 69.90 3gqk s THR 826 CO 0.35 -0.09 0.74 -0.67 -2.21 0.00 0.00 174.62 172.75 3gqk n ASP 827 N 2.23 -0.58 0.00 8.08 2.03 -1.26 0.10 116.55 127.14 3gqk n ASP 827 Ca -0.16 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.29 3gqk n ASP 827 Cb 0.57 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 3gqk n ASP 827 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gqk n GLY 828 N 1.83 1.51 0.00 0.27 0.00 -0.96 -4.08 105.19 103.76 3gqk n GLY 828 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.22 3gqk n GLY 828 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqk n ASP 829 N 0.00 1.03 -4.61 1.61 9.92 -1.13 -3.67 116.55 119.70 3gqk n ASP 829 Ca 0.00 -0.55 -0.30 0.00 -0.53 0.00 0.00 54.79 53.41 3gqk n ASP 829 Cb 0.00 1.21 -0.09 0.00 -0.64 0.00 0.00 41.12 41.59 3gqk n ASP 829 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3gqk s ASN 830 N -2.69 4.60 0.76 -2.24 0.01 0.23 -4.72 114.94 110.89 3gqk s ASN 830 Ca 0.02 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 3gqk s ASN 830 Cb 0.10 -0.97 0.00 0.00 0.41 0.00 0.00 41.25 40.78 3gqk s ASN 830 CO 0.56 0.19 0.00 0.49 -1.51 0.00 0.00 177.10 176.83 3gqk n PHE 831 N 0.81 -2.00 -3.68 2.20 0.99 -1.26 0.10 117.46 114.62 3gqk n PHE 831 Ca -0.13 0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.26 3gqk n PHE 831 Cb 0.52 -0.09 -0.17 0.00 -1.00 0.00 0.00 39.48 38.74 3gqk n PHE 831 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gqk s ILE 832 N -0.23 0.08 -0.12 4.37 1.01 -1.25 -4.19 121.20 120.88 3gqk s ILE 832 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 3gqk s ILE 832 Cb 0.00 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 3gqk s ILE 832 CO 0.00 0.02 1.84 -0.69 0.00 0.00 0.00 174.94 176.11 3gqk s VAL 833 N 2.08 3.35 -0.02 2.92 1.01 -0.54 -1.84 120.40 127.36 3gqk s VAL 833 Ca 0.03 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 3gqk s VAL 833 Cb -0.14 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3gqk s VAL 833 CO -0.06 -0.12 0.55 -0.61 0.00 0.00 0.00 175.10 174.86 3gqk h GLN 834 N 11.37 -0.30 -2.29 2.72 4.15 -0.58 -1.73 115.11 128.45 3gqk h GLN 834 Ca -0.40 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 58.97 3gqk h GLN 834 Cb 1.20 0.07 -0.22 0.00 0.21 0.00 0.00 27.48 28.73 3gqk h GLN 834 CO 0.97 -0.20 -0.03 -1.83 -1.93 0.00 0.00 178.83 175.81 3gqk s GLU 835 N -2.68 0.68 -0.09 1.69 -1.05 -1.15 -4.44 118.70 111.67 3gqk s GLU 835 Ca -0.04 0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 55.35 3gqk s GLU 835 Cb 0.00 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 3gqk s GLU 835 CO 0.13 -0.09 1.37 0.42 0.95 0.00 0.00 175.26 178.04 3gqk s ILE 836 N 0.51 3.99 -0.08 1.83 1.01 -1.26 -0.97 121.20 126.22 3gqk s ILE 836 Ca -0.02 1.26 0.16 0.00 0.00 0.00 0.00 60.65 62.05 3gqk s ILE 836 Cb -0.05 -3.81 -0.23 0.00 0.01 0.00 0.00 42.46 38.38 3gqk s ILE 836 CO -0.02 -0.07 0.23 0.35 0.00 0.00 0.00 174.94 175.43 3gqk n THR 837 N 5.12 0.45 -3.44 2.92 -2.24 0.11 -4.84 114.28 112.36 3gqk n THR 837 Ca 0.14 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 3gqk n THR 837 Cb 0.44 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 3gqk n THR 837 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gqk s THR 838 N -2.83 -0.31 0.52 4.28 2.01 -0.66 -4.97 115.64 113.68 3gqk s THR 838 Ca -0.07 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 3gqk s THR 838 Cb 0.08 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 3gqk s THR 838 CO 0.67 -0.54 1.21 -2.84 -0.69 0.00 0.00 174.62 172.43 3gqk s PRO 839 N 2.29 3.38 0.18 4.92 0.02 -1.26 -0.27 135.00 144.26 3gqk s PRO 839 Ca 0.09 1.85 -0.32 0.00 0.02 0.00 0.00 61.00 62.65 3gqk s PRO 839 Cb -0.14 -2.20 -0.12 0.00 0.02 0.00 0.00 34.50 32.06 3gqk s PRO 839 CO -0.34 -0.88 1.77 0.98 -0.33 0.00 0.00 177.00 178.20 3gqk n TYR 840 N -0.98 2.73 -4.88 6.54 4.19 -1.26 -4.61 117.16 118.88 3gqk n TYR 840 Ca 0.10 -0.04 -0.26 0.00 3.31 0.00 0.00 57.90 61.01 3gqk n TYR 840 Cb 0.48 -2.70 -0.16 0.00 0.49 0.00 0.00 39.34 37.46 3gqk n TYR 840 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 3gqk s THR 841 N 1.73 1.45 0.38 2.97 -4.23 -1.26 -4.93 115.64 111.75 3gqk s THR 841 Ca 0.77 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 3gqk s THR 841 Cb -0.49 -1.21 0.14 0.00 1.34 0.00 0.00 72.50 72.27 3gqk s THR 841 CO 0.34 0.41 1.88 0.11 -0.54 0.00 0.00 174.62 176.82 3gqk h LYS 842 N 5.78 0.21 -0.44 3.99 1.57 -1.93 0.89 116.57 126.63 3gqk h LYS 842 Ca -0.37 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3gqk h LYS 842 Cb 1.15 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3gqk h LYS 842 CO 0.48 0.40 0.03 1.05 -0.57 0.00 0.00 179.45 180.84 3gqk h GLU 843 N 0.19 0.76 -0.09 3.15 9.09 -1.98 -3.13 114.58 122.58 3gqk h GLU 843 Ca 0.04 -0.23 -0.24 0.00 0.05 0.00 0.00 59.36 58.98 3gqk h GLU 843 Cb 0.46 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.49 3gqk h GLU 843 CO 0.03 0.81 -0.89 0.87 0.05 0.00 0.00 179.01 179.88 3gqk h LYS 844 N 0.61 0.74 0.00 1.06 1.79 -1.96 -3.48 116.57 115.33 3gqk h LYS 844 Ca 0.13 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 3gqk h LYS 844 Cb 0.45 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3gqk h LYS 844 CO 0.02 1.27 0.00 0.41 -1.08 0.00 0.00 179.45 180.07 3gqk n GLY 845 N 0.85 0.62 3.51 3.86 0.00 0.29 -5.03 105.19 109.29 3gqk n GLY 845 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3gqk n GLY 845 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gqk s TYR 846 N -2.35 -0.46 0.51 1.61 1.13 -1.21 -4.88 117.35 111.70 3gqk s TYR 846 Ca 0.00 0.54 0.01 0.00 -1.41 0.00 0.00 57.07 56.22 3gqk s TYR 846 Cb 0.00 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 3gqk s TYR 846 CO 0.00 -0.57 0.01 0.20 -2.51 0.00 0.00 175.55 172.69 3gqk s GLY 847 N -1.90 3.01 -0.14 5.49 0.00 0.14 -4.03 107.32 109.90 3gqk s GLY 847 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.32 3gqk s GLY 847 CO -0.03 -2.19 -0.14 0.14 0.00 0.00 0.00 173.10 170.88 3gqk s VAL 848 N -2.88 1.51 0.07 1.40 1.01 0.63 0.17 120.40 122.30 3gqk s VAL 848 Ca 0.06 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3gqk s VAL 848 Cb 0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3gqk s VAL 848 CO 0.03 0.45 -0.18 0.00 0.00 0.00 0.00 175.10 175.40 3gqk s ALA 849 N 1.43 2.64 -0.07 5.51 0.00 0.03 0.06 121.76 131.37 3gqk s ALA 849 Ca 0.03 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 3gqk s ALA 849 Cb -0.13 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3gqk s ALA 849 CO -0.09 0.58 1.15 0.42 0.00 0.00 0.00 175.76 177.82 3gqk s ILE 850 N -1.01 4.38 -0.00 0.00 -1.09 -0.15 0.40 121.20 123.73 3gqk s ILE 850 Ca 0.16 1.69 0.04 0.00 -2.23 0.00 0.00 60.65 60.32 3gqk s ILE 850 Cb -0.11 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3gqk s ILE 850 CO 0.07 0.00 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.99 3gqk s VAL 851 N 2.16 3.34 -0.89 2.92 1.01 -0.56 0.20 120.40 128.58 3gqk s VAL 851 Ca 0.54 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3gqk s VAL 851 Cb -0.23 -2.41 0.15 0.00 0.00 0.00 0.00 36.38 33.88 3gqk s VAL 851 CO 0.21 0.43 1.03 -0.22 0.00 0.00 0.00 175.10 176.55 3gqk s LEU 852 N -1.27 5.41 0.09 3.92 2.96 -0.77 -0.74 118.68 128.28 3gqk s LEU 852 Ca 0.15 -2.13 -0.30 0.00 -0.22 0.00 0.00 54.13 51.63 3gqk s LEU 852 Cb -0.11 -2.36 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 3gqk s LEU 852 CO 0.05 -0.97 1.15 -0.69 -1.32 0.00 0.00 176.35 174.57 3gqk s VAL 853 N 2.19 4.07 0.00 1.68 1.01 -0.51 -3.77 120.40 125.08 3gqk s VAL 853 Ca 0.29 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3gqk s VAL 853 Cb -0.07 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3gqk s VAL 853 CO -0.08 0.16 0.13 0.29 0.00 0.00 0.00 175.10 175.60