#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqh s PHE 693 N 0.00 3.34 0.11 2.11 0.40 0.18 -4.53 117.98 119.59 3gqh s PHE 693 Ca 0.00 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 3gqh s PHE 693 Cb 0.00 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 3gqh s PHE 693 CO 0.00 0.19 -0.06 0.00 0.70 0.00 0.00 175.22 176.05 3gqh s ALA 694 N 0.54 1.03 0.15 5.36 0.00 -1.26 -0.17 121.76 127.42 3gqh s ALA 694 Ca 0.06 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.66 3gqh s ALA 694 Cb -0.12 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 3gqh s ALA 694 CO 0.00 -0.25 -0.03 -1.21 0.00 0.00 0.00 175.76 174.27 3gqh s GLU 695 N -3.85 1.05 0.05 0.00 2.02 -0.79 -1.87 118.70 115.32 3gqh s GLU 695 Ca 0.14 -1.48 -0.26 0.00 0.02 0.00 0.00 54.97 53.39 3gqh s GLU 695 Cb 0.05 -0.34 -0.05 0.00 0.10 0.00 0.00 34.13 33.89 3gqh s GLU 695 CO -0.03 -0.06 0.81 0.71 0.02 0.00 0.00 175.26 176.70 3gqh s TYR 696 N -3.57 3.75 0.07 1.61 1.51 -0.54 -1.45 117.35 118.73 3gqh s TYR 696 Ca 0.20 1.54 0.03 0.00 -1.01 0.00 0.00 57.07 57.83 3gqh s TYR 696 Cb 0.05 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 3gqh s TYR 696 CO 0.02 0.25 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.55 3gqh s PHE 697 N -0.00 0.91 -0.07 2.71 0.40 -0.59 -4.94 117.98 116.40 3gqh s PHE 697 Ca 0.40 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 3gqh s PHE 697 Cb -0.21 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 42.75 3gqh s PHE 697 CO 0.24 -0.04 0.26 -2.00 0.70 0.00 0.00 175.22 174.38 3gqh s GLU 698 N -2.21 3.68 0.42 0.44 2.12 -1.26 -0.36 118.70 121.52 3gqh s GLU 698 Ca -0.02 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.19 3gqh s GLU 698 Cb -0.06 -3.21 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 3gqh s GLU 698 CO 0.00 0.72 1.03 -1.54 -0.54 0.00 0.00 175.26 174.93 3gqh s SER 699 N -0.99 6.73 0.25 -1.70 1.04 0.43 -0.29 113.70 119.18 3gqh s SER 699 Ca 0.19 1.96 -0.05 0.00 0.48 0.00 0.00 55.95 58.52 3gqh s SER 699 Cb -0.14 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.72 3gqh s SER 699 CO 0.08 -0.51 1.90 0.25 0.98 0.00 0.00 173.24 175.94 3gqh h LEU 700 N 2.28 1.07 -1.99 2.42 5.85 -1.16 -2.57 115.31 121.20 3gqh h LEU 700 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3gqh h LEU 700 Cb 1.21 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3gqh h LEU 700 CO 0.62 0.73 0.00 0.61 -0.34 0.00 0.00 178.44 180.06 3gqh n GLY 701 N -1.36 1.05 2.22 3.75 0.00 -1.26 -4.95 105.19 104.63 3gqh n GLY 701 Ca 0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 3gqh n GLY 701 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqh n GLY 702 N 1.25 0.42 3.89 -0.02 0.00 -0.97 -5.03 105.19 104.74 3gqh n GLY 702 Ca 0.14 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3gqh n GLY 702 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqh s GLN 703 N -0.66 2.70 0.06 1.61 -1.52 -1.26 -4.29 119.66 116.30 3gqh s GLN 703 Ca 0.00 -1.36 -0.30 0.00 -1.95 0.00 0.00 55.36 51.75 3gqh s GLN 703 Cb 0.00 -2.50 -0.05 0.00 -0.22 0.00 0.00 33.01 30.24 3gqh s GLN 703 CO 0.00 -0.07 1.09 0.08 -0.25 0.00 0.00 175.29 176.14 3gqh s VAL 704 N -2.37 4.32 -0.24 1.09 1.01 -1.26 -4.74 120.40 118.22 3gqh s VAL 704 Ca 0.46 1.73 -0.08 0.00 0.00 0.00 0.00 61.98 64.08 3gqh s VAL 704 Cb -0.06 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3gqh s VAL 704 CO 0.28 0.17 0.10 -0.63 0.00 0.00 0.00 175.10 175.02 3gqh s ILE 705 N 0.78 4.74 0.82 2.22 1.01 -1.26 -5.10 121.20 124.41 3gqh s ILE 705 Ca 0.54 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 3gqh s ILE 705 Cb -0.26 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 39.09 3gqh s ILE 705 CO 0.30 0.35 1.09 -1.61 0.00 0.00 0.00 174.94 175.07 3gqh s GLU 706 N 1.28 1.90 0.47 2.79 8.01 -1.26 -4.96 118.70 126.93 3gqh s GLU 706 Ca 0.06 0.76 -0.23 0.00 0.01 0.00 0.00 54.97 55.57 3gqh s GLU 706 Cb -0.15 -1.89 -0.07 0.00 -4.31 0.00 0.00 34.13 27.72 3gqh s GLU 706 CO 0.05 -1.78 1.28 -0.08 0.01 0.00 0.00 175.26 174.73 3gqh s THR 707 N -3.06 2.59 0.00 3.63 -1.32 -1.26 -3.41 115.64 112.82 3gqh s THR 707 Ca 0.61 0.47 0.00 0.00 -1.21 0.00 0.00 61.69 61.56 3gqh s THR 707 Cb -0.16 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 3gqh s THR 707 CO 0.55 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 3gqh n GLY 708 N 0.60 0.59 3.75 6.08 0.00 -0.33 -4.88 105.19 111.00 3gqh n GLY 708 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3gqh n GLY 708 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqh s TYR 709 N -2.20 3.89 0.08 1.61 1.51 -1.22 -0.84 117.35 120.17 3gqh s TYR 709 Ca 0.00 1.74 -0.30 0.00 -1.01 0.00 0.00 57.07 57.50 3gqh s TYR 709 Cb 0.00 -2.91 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 3gqh s TYR 709 CO 0.00 0.40 1.03 -0.51 -1.11 0.00 0.00 175.55 175.37 3gqh s LEU 710 N -0.78 4.43 0.19 -1.29 1.43 0.31 -1.85 118.68 121.12 3gqh s LEU 710 Ca 0.40 1.84 0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3gqh s LEU 710 Cb -0.24 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3gqh s LEU 710 CO 0.29 -0.23 -0.22 0.68 0.23 0.00 0.00 176.35 177.09 3gqh s VAL 711 N 0.49 2.22 0.43 -1.59 -7.23 -0.28 -0.94 120.40 113.50 3gqh s VAL 711 Ca 0.51 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 3gqh s VAL 711 Cb -0.25 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 3gqh s VAL 711 CO 0.30 -0.18 0.08 0.28 -0.31 0.00 0.00 175.10 175.27 3gqh s THR 712 N -1.80 0.87 -0.11 5.32 -1.32 0.11 -1.14 115.64 117.56 3gqh s THR 712 Ca 0.20 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.64 3gqh s THR 712 Cb -0.07 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 3gqh s THR 712 CO 0.09 0.00 0.03 -0.76 -2.21 0.00 0.00 174.62 171.77 3gqh s LEU 713 N -3.68 3.72 -0.03 9.08 1.43 -1.26 -2.08 118.68 125.87 3gqh s LEU 713 Ca 0.20 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3gqh s LEU 713 Cb 0.03 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.41 3gqh s LEU 713 CO 0.11 0.35 0.06 -0.70 0.23 0.00 0.00 176.35 176.40 3gqh s GLU 714 N -0.70 -0.02 -1.67 1.70 2.12 0.09 -4.86 118.70 115.36 3gqh s GLU 714 Ca 0.11 0.26 -0.15 0.00 0.36 0.00 0.00 54.97 55.56 3gqh s GLU 714 Cb -0.12 -0.28 0.13 0.00 0.26 0.00 0.00 34.13 34.13 3gqh s GLU 714 CO 0.02 -0.20 0.65 1.63 -0.54 0.00 0.00 175.26 176.82 3gqh n LYS 715 N 4.41 -2.72 -0.98 4.30 5.02 -1.26 -1.36 118.16 125.57 3gqh n LYS 715 Ca -0.23 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3gqh n LYS 715 Cb 0.50 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 3gqh n LYS 715 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqh n GLY 716 N -1.54 0.76 3.42 0.72 0.00 -1.26 -5.00 105.19 102.29 3gqh n GLY 716 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3gqh n GLY 716 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqh s LYS 717 N -0.09 1.53 0.05 1.61 1.02 -0.46 -4.76 119.74 118.64 3gqh s LYS 717 Ca 0.00 -1.76 -0.04 0.00 0.02 0.00 0.00 55.97 54.18 3gqh s LYS 717 Cb 0.00 -1.14 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 3gqh s LYS 717 CO 0.00 0.05 0.28 0.96 -0.92 0.00 0.00 175.35 175.72 3gqh s ILE 718 N -3.02 5.29 0.19 2.17 -4.36 0.60 -0.73 121.20 121.34 3gqh s ILE 718 Ca 0.29 -0.01 -0.07 0.00 -0.26 0.00 0.00 60.65 60.59 3gqh s ILE 718 Cb 0.03 -3.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.13 3gqh s ILE 718 CO 0.11 0.22 0.27 0.00 0.24 0.00 0.00 174.94 175.79 3gqh s ARG 719 N -2.18 1.23 0.27 0.37 1.70 -0.88 -0.66 118.95 118.80 3gqh s ARG 719 Ca 0.33 -1.31 -0.31 0.00 -0.47 0.00 0.00 55.73 53.97 3gqh s ARG 719 Cb -0.13 0.36 -0.13 0.00 -0.57 0.00 0.00 34.95 34.49 3gqh s ARG 719 CO 0.21 -0.45 1.49 1.63 -1.08 0.00 0.00 175.30 177.10 3gqh n LYS 720 N -0.25 2.34 -2.62 3.89 5.02 -1.26 -0.72 118.16 124.56 3gqh n LYS 720 Ca -0.04 0.83 -0.35 0.00 -2.02 0.00 0.00 58.31 56.73 3gqh n LYS 720 Cb 0.63 -2.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 3gqh n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gqh s ALA 721 N -0.09 3.05 0.42 7.82 0.00 -0.12 -4.63 121.76 128.20 3gqh s ALA 721 Ca 0.66 0.61 0.04 0.00 0.00 0.00 0.00 51.96 53.26 3gqh s ALA 721 Cb -0.58 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 3gqh s ALA 721 CO 0.50 -0.13 0.05 -1.21 0.00 0.00 0.00 175.76 174.97 3gqh s GLU 722 N -2.71 1.94 -0.11 0.00 0.41 -1.26 -0.95 118.70 116.02 3gqh s GLU 722 Ca 0.60 -2.17 -0.41 0.00 -0.41 0.00 0.00 54.97 52.58 3gqh s GLU 722 Cb -0.18 -1.12 -0.19 0.00 -1.78 0.00 0.00 34.13 30.86 3gqh s GLU 722 CO 0.23 -0.30 1.28 1.63 -0.49 0.00 0.00 175.26 177.61 3gqh n LYS 723 N -0.97 0.27 -1.07 1.61 5.02 -0.75 -2.08 118.16 120.18 3gqh n LYS 723 Ca -0.09 0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 3gqh n LYS 723 Cb 0.66 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 3gqh n LYS 723 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqh n GLY 724 N 2.40 0.52 3.91 0.72 0.00 -1.26 -5.01 105.19 106.47 3gqh n GLY 724 Ca 0.23 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3gqh n GLY 724 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqh s GLU 725 N -1.33 3.30 -0.18 1.61 2.02 -0.89 -5.05 118.70 118.18 3gqh s GLU 725 Ca 0.00 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 3gqh s GLU 725 Cb 0.00 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 3gqh s GLU 725 CO 0.00 0.50 1.60 0.15 0.02 0.00 0.00 175.26 177.53 3gqh s LYS 726 N -3.27 3.90 -0.32 1.61 1.02 -1.26 -4.89 119.74 116.54 3gqh s LYS 726 Ca 0.34 1.77 -0.25 0.00 0.02 0.00 0.00 55.97 57.84 3gqh s LYS 726 Cb -0.11 -4.01 0.01 0.00 -0.52 0.00 0.00 37.83 33.20 3gqh s LYS 726 CO 0.27 -1.17 0.88 0.42 -0.92 0.00 0.00 175.35 174.84 3gqh s ILE 727 N 4.86 4.70 -0.19 2.17 1.01 -1.26 -4.44 121.20 128.05 3gqh s ILE 727 Ca 0.71 1.33 0.20 0.00 0.00 0.00 0.00 60.65 62.89 3gqh s ILE 727 Cb -0.26 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 3gqh s ILE 727 CO 0.28 -0.34 0.96 0.16 0.00 0.00 0.00 174.94 176.00 3gqh h ILE 728 N 5.66 0.24 0.00 2.92 3.07 -1.50 -3.50 117.51 124.40 3gqh h ILE 728 Ca -0.23 -1.47 0.00 0.00 1.55 0.00 0.00 64.86 64.71 3gqh h ILE 728 Cb 1.08 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 3gqh h ILE 728 CO 0.93 0.14 0.00 0.61 -1.05 0.00 0.00 178.15 178.78 3gqh n GLY 729 N 1.28 -0.79 2.93 0.16 0.00 -1.23 -4.66 105.19 102.88 3gqh n GLY 729 Ca -0.04 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 3gqh n GLY 729 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 730 N -3.00 0.30 0.12 1.61 1.01 -0.87 -1.12 120.40 118.45 3gqh s VAL 730 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 3gqh s VAL 730 Cb 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 36.38 36.02 3gqh s VAL 730 CO 0.00 0.09 1.76 -0.63 0.00 0.00 0.00 175.10 176.32 3gqh s ILE 731 N -0.05 2.61 -0.01 2.22 -1.09 -0.77 -0.46 121.20 123.64 3gqh s ILE 731 Ca 0.01 0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.66 3gqh s ILE 731 Cb -0.02 -3.11 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 3gqh s ILE 731 CO -0.00 0.00 -0.18 -0.55 -1.23 0.00 0.00 174.94 172.98 3gqh s SER 732 N 2.37 2.07 0.00 3.58 0.15 -0.67 -1.19 113.70 120.01 3gqh s SER 732 Ca 0.78 -0.32 0.16 0.00 0.70 0.00 0.00 55.95 57.26 3gqh s SER 732 Cb -0.45 -0.23 0.15 0.00 -1.71 0.00 0.00 66.02 63.78 3gqh s SER 732 CO 0.35 0.22 1.03 -0.62 1.20 0.00 0.00 173.24 175.41 3gqh n GLU 733 N 2.64 1.31 -0.19 5.44 1.02 -1.26 -4.64 120.64 124.96 3gqh n GLU 733 Ca -0.15 -1.50 0.05 0.00 -0.02 0.00 0.00 57.16 55.54 3gqh n GLU 733 Cb 0.54 -1.31 0.15 0.00 -0.02 0.00 0.00 31.44 30.80 3gqh n GLU 733 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gqh n THR 734 N 0.88 1.18 0.00 2.62 -2.24 -1.26 -4.70 114.28 110.76 3gqh n THR 734 Ca 0.10 -1.13 -0.12 0.00 -2.27 0.00 0.00 64.05 60.63 3gqh n THR 734 Cb 0.40 0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 3gqh n THR 734 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqh h ALA 735 N 1.74 -0.10 0.00 6.98 0.00 -1.82 -3.34 119.26 122.73 3gqh h ALA 735 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gqh h ALA 735 Cb 0.80 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3gqh h ALA 735 CO 0.03 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3gqh n GLY 736 N 0.71 1.28 3.67 0.00 0.00 -1.26 -4.53 105.19 105.06 3gqh n GLY 736 Ca -0.08 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3gqh n GLY 736 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqh s PHE 737 N 0.00 3.31 -0.02 1.61 0.08 -1.26 -5.04 117.98 116.65 3gqh s PHE 737 Ca 0.00 1.41 0.06 0.00 0.12 0.00 0.00 56.93 58.51 3gqh s PHE 737 Cb 0.00 -3.30 -0.01 0.00 -0.57 0.00 0.00 43.02 39.14 3gqh s PHE 737 CO 0.00 -0.70 -0.19 0.08 -0.10 0.00 0.00 175.22 174.30 3gqh s VAL 738 N 2.62 1.55 0.39 -0.44 1.01 -1.26 -4.57 120.40 119.70 3gqh s VAL 738 Ca 0.49 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3gqh s VAL 738 Cb -0.19 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3gqh s VAL 738 CO 0.14 0.44 0.58 -0.76 0.00 0.00 0.00 175.10 175.50 3gqh s LEU 739 N -0.36 3.83 -0.11 3.92 1.43 -0.78 -4.56 118.68 122.05 3gqh s LEU 739 Ca 0.05 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3gqh s LEU 739 Cb -0.09 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.10 3gqh s LEU 739 CO -0.00 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.66 3gqh n GLY 740 N -1.87 0.36 0.20 -3.19 0.00 -1.26 -1.46 105.19 97.96 3gqh n GLY 740 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 3gqh n GLY 740 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gqh h GLU 741 N 0.00 0.20 0.00 1.61 4.81 -1.93 -3.28 114.58 115.99 3gqh h GLU 741 Ca -0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3gqh h GLU 741 Cb 0.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3gqh h GLU 741 CO 0.03 0.55 -0.26 -1.13 -0.73 0.00 0.00 179.01 177.48 3gqh n SER 742 N -4.06 1.05 -4.78 1.04 3.41 -1.26 -4.47 113.62 104.56 3gqh n SER 742 Ca -0.01 -2.43 -0.37 0.00 -0.26 0.00 0.00 58.87 55.80 3gqh n SER 742 Cb 0.45 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3gqh n SER 742 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gqh s SER 743 N -1.77 6.43 -1.41 4.04 1.04 -1.24 -3.85 113.70 116.95 3gqh s SER 743 Ca 0.14 2.17 -0.07 0.00 0.48 0.00 0.00 55.95 58.67 3gqh s SER 743 Cb 0.12 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.68 3gqh s SER 743 CO 0.01 -0.72 0.84 0.49 0.98 0.00 0.00 173.24 174.84 3gqh n PHE 744 N -0.33 -2.12 -3.60 5.02 3.01 -1.26 -4.97 117.46 113.21 3gqh n PHE 744 Ca 0.06 0.88 -0.40 0.00 1.01 0.00 0.00 57.45 59.00 3gqh n PHE 744 Cb 0.49 -4.22 -0.10 0.00 -0.01 0.00 0.00 39.48 35.64 3gqh n PHE 744 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3gqh s GLU 745 N -6.29 2.59 -0.27 -1.08 2.56 -1.25 -4.96 118.70 110.00 3gqh s GLU 745 Ca 0.32 -1.48 0.11 0.00 0.00 0.00 0.00 54.97 53.91 3gqh s GLU 745 Cb -0.16 -3.79 0.73 0.00 2.00 0.00 0.00 34.13 32.91 3gqh s GLU 745 CO 0.82 -0.97 1.71 0.91 -0.56 0.00 0.00 175.26 177.16 3gqh n TRP 746 N 4.91 2.16 -0.81 5.30 8.01 -1.26 -4.13 117.44 131.62 3gqh n TRP 746 Ca -0.10 -0.93 0.03 0.00 -1.31 0.00 0.00 57.50 55.19 3gqh n TRP 746 Cb 0.43 -0.59 0.04 0.00 -2.01 0.00 0.00 31.31 29.18 3gqh n TRP 746 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3gqh n GLN 747 N 0.19 1.46 -0.97 -0.99 6.02 -1.26 -4.96 117.38 116.87 3gqh n GLN 747 Ca 0.33 -1.53 -0.11 0.00 -0.01 0.00 0.00 57.00 55.68 3gqh n GLN 747 Cb 1.24 -0.97 0.07 0.00 1.02 0.00 0.00 30.24 31.61 3gqh n GLN 747 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqh n GLY 748 N -0.59 -0.67 0.22 1.08 0.00 -1.26 -4.61 105.19 99.35 3gqh n GLY 748 Ca 0.05 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3gqh n GLY 748 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqh h ALA 749 N -1.49 0.81 -2.93 4.61 0.00 -1.94 -3.41 119.26 114.91 3gqh h ALA 749 Ca -0.16 -0.47 -0.66 0.00 0.00 0.00 0.00 54.91 53.62 3gqh h ALA 749 Cb 0.49 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 3gqh h ALA 749 CO 0.13 0.66 -0.52 0.08 0.00 0.00 0.00 179.25 179.60 3gqh s VAL 750 N -4.14 5.18 0.13 0.00 1.01 -1.26 -0.38 120.40 120.94 3gqh s VAL 750 Ca -0.07 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3gqh s VAL 750 Cb 0.12 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 3gqh s VAL 750 CO 0.83 0.58 1.17 -0.22 0.00 0.00 0.00 175.10 177.45 3gqh s LEU 751 N -0.67 4.43 0.14 3.92 0.20 0.13 -4.67 118.68 122.15 3gqh s LEU 751 Ca 0.12 2.11 0.09 0.00 0.69 0.00 0.00 54.13 57.14 3gqh s LEU 751 Cb -0.12 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.01 3gqh s LEU 751 CO 0.02 -0.37 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.03 3gqh s LYS 752 N 0.24 1.92 0.84 1.98 1.02 -1.26 -1.61 119.74 122.87 3gqh s LYS 752 Ca 0.54 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.21 3gqh s LYS 752 Cb -0.30 -2.14 0.19 0.00 -0.52 0.00 0.00 37.83 35.05 3gqh s LYS 752 CO 0.33 0.46 1.15 0.27 -0.92 0.00 0.00 175.35 176.64 3gqh n ASN 753 N 0.49 0.35 0.14 2.83 0.23 0.99 -4.85 115.26 115.45 3gqh n ASN 753 Ca -0.13 -1.58 0.12 0.00 -0.53 0.00 0.00 54.58 52.46 3gqh n ASN 753 Cb 0.54 -0.85 0.53 0.00 -2.08 0.00 0.00 39.78 37.91 3gqh n ASN 753 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3gqh n GLU 754 N -3.37 0.18 -0.22 -3.83 0.28 -1.26 -1.34 120.64 111.07 3gqh n GLU 754 Ca 0.15 0.50 0.11 0.00 -0.16 0.00 0.00 57.16 57.76 3gqh n GLU 754 Cb 0.53 -1.91 0.26 0.00 1.43 0.00 0.00 31.44 31.75 3gqh n GLU 754 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3gqh n PHE 755 N -2.26 0.59 -0.80 -1.84 3.72 -1.26 -4.96 117.46 110.65 3gqh n PHE 755 Ca 0.01 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 3gqh n PHE 755 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3gqh n PHE 755 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqh n GLY 756 N 1.49 0.75 3.85 1.37 0.00 -0.45 -5.03 105.19 107.17 3gqh n GLY 756 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3gqh n GLY 756 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqh s GLY 757 N -1.90 2.36 0.19 -0.02 0.00 -1.26 -4.76 107.32 101.94 3gqh s GLY 757 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 44.72 44.48 3gqh s GLY 757 CO 0.00 0.28 1.44 -0.42 0.00 0.00 0.00 173.10 174.41 3gqh s ILE 758 N -1.95 2.86 -0.23 0.90 1.01 -1.26 -0.00 121.20 122.52 3gqh s ILE 758 Ca 0.53 0.67 -0.22 0.00 0.00 0.00 0.00 60.65 61.62 3gqh s ILE 758 Cb -0.11 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 3gqh s ILE 758 CO 0.18 0.08 0.72 -0.63 0.00 0.00 0.00 174.94 175.29 3gqh s ILE 759 N 0.54 4.93 -0.15 2.92 1.01 -0.63 -4.80 121.20 125.01 3gqh s ILE 759 Ca 0.63 1.36 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 3gqh s ILE 759 Cb -0.41 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 3gqh s ILE 759 CO 0.37 0.01 0.07 -0.31 0.00 0.00 0.00 174.94 175.08 3gqh s TYR 760 N 2.45 3.32 0.25 3.97 1.51 -1.26 -1.82 117.35 125.77 3gqh s TYR 760 Ca 0.31 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 56.29 3gqh s TYR 760 Cb -0.16 -2.00 -0.09 0.00 -0.11 0.00 0.00 41.96 39.60 3gqh s TYR 760 CO 0.09 0.35 0.98 -2.00 -1.11 0.00 0.00 175.55 173.86 3gqh s GLU 761 N -0.17 4.79 -0.42 -0.62 2.12 0.20 -4.85 118.70 119.75 3gqh s GLU 761 Ca 0.08 1.58 -0.22 0.00 0.36 0.00 0.00 54.97 56.77 3gqh s GLU 761 Cb -0.12 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.04 3gqh s GLU 761 CO 0.01 0.43 0.71 -2.00 -0.54 0.00 0.00 175.26 173.87 3gqh s GLU 762 N -1.27 3.46 -0.12 4.30 2.12 -1.26 -1.82 118.70 124.12 3gqh s GLU 762 Ca 0.42 -0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.61 3gqh s GLU 762 Cb -0.28 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 3gqh s GLU 762 CO 0.34 -0.98 -0.01 0.08 -0.54 0.00 0.00 175.26 174.16 3gqh s VAL 763 N 3.01 4.20 -0.13 3.70 1.01 -0.24 -4.97 120.40 126.98 3gqh s VAL 763 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3gqh s VAL 763 Cb -0.13 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3gqh s VAL 763 CO 0.19 0.55 -0.14 -0.89 0.00 0.00 0.00 175.10 174.81 3gqh s THR 764 N -0.33 2.88 0.78 3.92 2.01 -1.26 -1.17 115.64 122.46 3gqh s THR 764 Ca 0.06 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 3gqh s THR 764 Cb -0.12 -2.20 0.07 0.00 0.01 0.00 0.00 72.50 70.25 3gqh s THR 764 CO 0.02 0.52 1.14 0.42 -0.69 0.00 0.00 174.62 176.03 3gqh s THR 765 N 0.48 2.28 0.43 -0.82 -4.23 0.80 -4.94 115.64 109.64 3gqh s THR 765 Ca -0.10 0.03 0.38 0.00 -1.18 0.00 0.00 61.69 60.81 3gqh s THR 765 Cb -0.16 -3.08 0.38 0.00 1.34 0.00 0.00 72.50 70.98 3gqh s THR 765 CO 0.05 -0.10 2.16 1.05 -0.54 0.00 0.00 174.62 177.23 3gqh h GLU 766 N -0.92 0.00 0.00 3.99 4.11 -2.00 -1.79 114.58 117.97 3gqh h GLU 766 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3gqh h GLU 766 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3gqh h GLU 766 CO 0.65 0.00 -0.90 -0.25 0.07 0.00 0.00 179.01 178.58 3gqh n ASP 767 N -2.84 0.66 0.00 3.06 10.43 -1.26 -4.95 116.55 121.65 3gqh n ASP 767 Ca -0.03 -0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.33 3gqh n ASP 767 Cb 0.08 0.54 0.00 0.00 1.84 0.00 0.00 41.12 43.58 3gqh n ASP 767 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gqh n GLY 768 N 1.33 0.69 3.71 0.44 0.00 -0.67 -5.08 105.19 105.61 3gqh n GLY 768 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3gqh n GLY 768 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 769 N -2.00 3.06 0.00 1.61 1.01 -1.26 -4.75 120.40 118.06 3gqh s VAL 769 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.77 3gqh s VAL 769 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3gqh s VAL 769 CO 0.00 0.05 -0.16 -0.54 0.00 0.00 0.00 175.10 174.45 3gqh s LYS 770 N 1.29 2.28 0.17 2.72 1.02 -1.26 -0.14 119.74 125.82 3gqh s LYS 770 Ca 0.67 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.69 3gqh s LYS 770 Cb -0.39 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3gqh s LYS 770 CO 0.30 0.58 0.36 -0.59 -0.92 0.00 0.00 175.35 175.08 3gqh s PHE 771 N -0.84 0.19 0.02 3.18 -0.12 -0.32 -4.98 117.98 115.11 3gqh s PHE 771 Ca 0.13 -0.55 -0.09 0.00 -0.05 0.00 0.00 56.93 56.37 3gqh s PHE 771 Cb -0.11 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.33 3gqh s PHE 771 CO 0.03 -0.77 0.33 0.15 -0.05 0.00 0.00 175.22 174.92 3gqh s LYS 772 N -3.92 3.70 -0.08 1.99 1.02 -1.26 -1.08 119.74 120.10 3gqh s LYS 772 Ca 0.13 0.10 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 3gqh s LYS 772 Cb 0.02 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 3gqh s LYS 772 CO -0.02 0.63 0.16 0.50 -0.92 0.00 0.00 175.35 175.70 3gqh s ARG 773 N -1.64 0.09 0.47 1.68 3.52 -0.76 -4.96 118.95 117.35 3gqh s ARG 773 Ca 0.28 0.46 -0.24 0.00 -0.13 0.00 0.00 55.73 56.10 3gqh s ARG 773 Cb -0.14 -0.20 -0.08 0.00 -1.56 0.00 0.00 34.95 32.97 3gqh s ARG 773 CO 0.15 -0.22 1.25 -0.35 -0.81 0.00 0.00 175.30 175.33 3gqh n PRO 774 N 4.62 1.75 -3.33 5.12 -0.04 -1.26 0.58 135.00 142.45 3gqh n PRO 774 Ca -0.19 0.63 -0.38 0.00 -0.04 0.00 0.00 63.50 63.53 3gqh n PRO 774 Cb 0.51 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 3gqh n PRO 774 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gqh s LEU 775 N -2.07 4.27 0.48 1.53 2.96 -0.75 -4.74 118.68 120.36 3gqh s LEU 775 Ca 0.65 0.79 -0.22 0.00 -0.22 0.00 0.00 54.13 55.13 3gqh s LEU 775 Cb -0.48 -2.67 -0.07 0.00 0.50 0.00 0.00 46.19 43.47 3gqh s LEU 775 CO 0.55 0.00 1.19 -2.84 -1.32 0.00 0.00 176.35 173.94 3gqh s PRO 776 N 0.64 3.61 -0.18 0.98 0.02 -1.26 0.17 135.00 138.97 3gqh s PRO 776 Ca 0.25 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 3gqh s PRO 776 Cb -0.15 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.01 3gqh s PRO 776 CO 0.10 -0.69 0.75 1.21 -0.33 0.00 0.00 177.00 178.03 3gqh s ASN 777 N -1.33 6.84 0.24 2.53 3.04 0.49 -4.47 114.94 122.28 3gqh s ASN 777 Ca 0.66 1.03 -0.01 0.00 0.04 0.00 0.00 52.86 54.58 3gqh s ASN 777 Cb -0.30 -2.41 0.29 0.00 -1.54 0.00 0.00 41.25 37.28 3gqh s ASN 777 CO 0.36 -0.35 1.66 -0.65 -3.04 0.00 0.00 177.10 175.08 3gqh h PRO 778 N 7.40 0.61 0.00 0.43 0.11 -1.92 -2.95 132.00 135.68 3gqh h PRO 778 Ca -0.30 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3gqh h PRO 778 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gqh h PRO 778 CO 0.81 0.82 0.00 -0.25 -0.21 0.00 0.00 178.00 179.17 3gqh n ASP 779 N -4.10 0.00 -4.73 -2.05 9.92 -1.26 -4.84 116.55 109.49 3gqh n ASP 779 Ca -0.00 -0.44 -0.41 0.00 -0.53 0.00 0.00 54.79 53.40 3gqh n ASP 779 Cb 0.43 -0.16 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 3gqh n ASP 779 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3gqh s PHE 780 N -2.32 3.50 -0.23 1.24 2.19 -1.12 -5.00 117.98 116.25 3gqh s PHE 780 Ca 0.33 1.46 0.02 0.00 0.33 0.00 0.00 56.93 59.07 3gqh s PHE 780 Cb 0.19 -3.36 0.05 0.00 -1.31 0.00 0.00 43.02 38.59 3gqh s PHE 780 CO 0.37 -0.96 -0.10 0.34 1.83 0.00 0.00 175.22 176.71 3gqh s ASP 781 N 0.36 3.84 0.00 6.13 3.68 -1.26 -4.99 116.67 124.42 3gqh s ASP 781 Ca 0.53 -1.12 0.26 0.00 2.13 0.00 0.00 52.55 54.36 3gqh s ASP 781 Cb -0.30 -1.34 1.19 0.00 -1.45 0.00 0.00 42.92 41.02 3gqh s ASP 781 CO 0.33 -0.17 1.85 -0.81 0.13 0.00 0.00 175.17 176.50 3gqh n PRO 782 N 4.59 0.14 0.05 4.34 -0.04 -1.26 -3.80 135.00 139.02 3gqh n PRO 782 Ca -0.14 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 3gqh n PRO 782 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 3gqh n PRO 782 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3gqh h ASN 783 N 0.00 0.65 -3.78 3.54 -1.24 -2.04 -3.46 115.58 109.26 3gqh h ASN 783 Ca 0.00 -0.83 -0.48 0.00 0.71 0.00 0.00 56.30 55.70 3gqh h ASN 783 Cb 0.37 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3gqh h ASN 783 CO 0.00 1.41 0.20 -0.54 -1.29 0.00 0.00 177.43 177.21 3gqh s LYS 784 N -2.96 4.24 0.74 6.67 1.02 -1.25 -5.02 119.74 123.18 3gqh s LYS 784 Ca -0.12 0.95 -0.15 0.00 0.02 0.00 0.00 55.97 56.68 3gqh s LYS 784 Cb 0.04 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3gqh s LYS 784 CO 0.87 0.21 1.20 1.21 -0.92 0.00 0.00 175.35 177.92 3gqh s ASN 785 N -1.94 4.19 -0.19 2.83 3.04 -1.26 -5.02 114.94 116.59 3gqh s ASN 785 Ca 0.52 2.32 -0.07 0.00 0.04 0.00 0.00 52.86 55.66 3gqh s ASN 785 Cb -0.14 -2.58 0.08 0.00 -1.54 0.00 0.00 41.25 37.07 3gqh s ASN 785 CO 0.19 -2.26 0.41 -0.47 -3.04 0.00 0.00 177.10 171.93 3gqh s TYR 786 N -2.05 -0.74 -0.10 0.43 5.04 -1.26 -5.16 117.35 113.51 3gqh s TYR 786 Ca 0.73 1.45 0.01 0.00 -2.44 0.00 0.00 57.07 56.83 3gqh s TYR 786 Cb -0.28 0.28 -0.02 0.00 0.35 0.00 0.00 41.96 42.29 3gqh s TYR 786 CO 0.46 -0.45 -0.14 0.42 -1.34 0.00 0.00 175.55 174.50 3gqh s ILE 787 N 2.35 3.05 0.65 3.14 -1.09 -1.26 -5.12 121.20 122.93 3gqh s ILE 787 Ca -0.03 -0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 57.55 3gqh s ILE 787 Cb -0.11 -2.25 -0.00 0.00 -1.58 0.00 0.00 42.46 38.51 3gqh s ILE 787 CO -0.13 0.55 1.11 -2.84 -1.23 0.00 0.00 174.94 172.40 3gqh s PRO 788 N -0.03 2.83 0.29 2.79 0.02 -1.26 -4.90 135.00 134.74 3gqh s PRO 788 Ca -0.03 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.43 3gqh s PRO 788 Cb -0.14 -1.95 0.67 0.00 0.02 0.00 0.00 34.50 33.10 3gqh s PRO 788 CO 0.04 -1.23 1.77 0.00 -0.33 0.00 0.00 177.00 177.25 3gqh h ARG 789 N 0.09 0.72 0.00 5.54 3.08 -1.94 -0.34 114.38 121.53 3gqh h ARG 789 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3gqh h ARG 789 Cb 1.25 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3gqh h ARG 789 CO 0.54 0.47 0.00 1.03 -1.07 0.00 0.00 179.97 180.95 3gqh h SER 790 N 0.74 0.00 -0.30 7.04 0.87 -1.91 -1.80 113.55 118.19 3gqh h SER 790 Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 3gqh h SER 790 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3gqh h SER 790 CO -0.37 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.93 3gqh n GLN 791 N -2.36 2.29 -4.60 2.24 1.13 -0.14 -4.96 117.38 110.98 3gqh n GLN 791 Ca -0.01 -1.90 -0.33 0.00 -1.94 0.00 0.00 57.00 52.82 3gqh n GLN 791 Cb 0.06 -1.29 -0.13 0.00 0.11 0.00 0.00 30.24 28.99 3gqh n GLN 791 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3gqh s ARG 792 N -1.02 3.51 0.47 -1.09 0.52 -0.68 -4.97 118.95 115.69 3gqh s ARG 792 Ca 0.24 -0.61 0.15 0.00 -0.52 0.00 0.00 55.73 54.98 3gqh s ARG 792 Cb 0.13 -2.76 1.13 0.00 0.52 0.00 0.00 34.95 33.97 3gqh s ARG 792 CO 0.18 0.22 2.04 0.00 0.02 0.00 0.00 175.30 177.76 3gqh h ARG 793 N 6.73 0.25 0.00 3.54 3.08 -1.93 -2.17 114.38 123.88 3gqh h ARG 793 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3gqh h ARG 793 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3gqh h ARG 793 CO 0.59 0.17 0.00 1.05 -1.07 0.00 0.00 179.97 180.70 3gqh h GLU 794 N 0.26 0.00 -5.37 0.04 9.09 -1.86 -3.41 114.58 113.33 3gqh h GLU 794 Ca 0.18 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.98 3gqh h GLU 794 Cb 0.38 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.36 3gqh h GLU 794 CO -0.04 0.00 -0.27 -1.58 0.05 0.00 0.00 179.01 177.17 3gqh s TRP 795 N -3.44 3.37 0.01 2.06 0.52 -0.82 -0.43 118.94 120.22 3gqh s TRP 795 Ca 0.04 0.54 0.08 0.00 0.02 0.00 0.00 56.10 56.78 3gqh s TRP 795 Cb 0.09 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 3gqh s TRP 795 CO 0.49 0.03 -0.25 -1.01 0.02 0.00 0.00 176.95 176.24 3gqh s HIS 796 N 1.16 2.19 -0.29 -1.98 3.76 0.52 -4.87 115.29 115.78 3gqh s HIS 796 Ca 0.17 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.38 3gqh s HIS 796 Cb -0.14 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.20 3gqh s HIS 796 CO 0.07 0.04 1.03 0.08 -0.85 0.00 0.00 174.74 175.12 3gqh s VAL 797 N -0.69 4.58 -0.26 -0.90 1.01 -1.26 -1.54 120.40 121.34 3gqh s VAL 797 Ca 0.10 1.76 -0.03 0.00 0.00 0.00 0.00 61.98 63.80 3gqh s VAL 797 Cb -0.10 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.95 3gqh s VAL 797 CO 0.01 -0.38 -0.02 -0.69 0.00 0.00 0.00 175.10 174.02 3gqh s VAL 798 N 3.46 3.19 0.04 2.92 1.01 -0.53 -1.67 120.40 128.83 3gqh s VAL 798 Ca 0.44 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 3gqh s VAL 798 Cb -0.13 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 3gqh s VAL 798 CO 0.13 0.17 1.38 -0.83 0.00 0.00 0.00 175.10 175.95 3gqh s GLY 799 N 1.38 1.94 -0.02 4.51 0.00 0.39 -1.88 107.32 113.64 3gqh s GLY 799 Ca 0.01 0.95 0.09 0.00 0.00 0.00 0.00 44.72 45.77 3gqh s GLY 799 CO -0.02 2.42 0.17 1.04 0.00 0.00 0.00 173.10 176.71 3gqh n LEU 800 N 4.82 0.00 -3.68 0.66 4.77 0.76 -2.06 117.00 122.27 3gqh n LEU 800 Ca 0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 3gqh n LEU 800 Cb 0.43 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3gqh n LEU 800 CO 0.58 0.04 0.11 -0.22 -1.33 0.00 0.00 177.39 176.56 3gqh s LEU 801 N -3.80 -0.31 0.00 2.23 2.96 -1.08 -4.37 118.68 114.30 3gqh s LEU 801 Ca -0.03 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 3gqh s LEU 801 Cb 0.05 1.54 0.00 0.00 0.50 0.00 0.00 46.19 48.29 3gqh s LEU 801 CO 0.37 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 3gqh n GLY 802 N 4.40 0.57 3.64 7.98 0.00 -0.08 -0.64 105.19 121.06 3gqh n GLY 802 Ca -0.21 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 3gqh n GLY 802 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqh s GLN 803 N -0.76 4.12 0.00 1.61 -0.21 -1.26 -1.29 119.66 121.87 3gqh s GLN 803 Ca 0.00 0.97 0.02 0.00 0.02 0.00 0.00 55.36 56.37 3gqh s GLN 803 Cb 0.00 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.32 3gqh s GLN 803 CO 0.00 -0.66 -0.05 0.42 -2.12 0.00 0.00 175.29 172.88 3gqh s ILE 804 N 3.10 0.42 0.08 1.08 1.01 -0.33 -4.50 121.20 122.06 3gqh s ILE 804 Ca 0.38 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3gqh s ILE 804 Cb -0.14 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 3gqh s ILE 804 CO 0.10 0.06 1.01 0.00 0.00 0.00 0.00 174.94 176.11 3gqh s ALA 805 N -0.25 3.25 -0.01 9.38 0.00 -1.26 -0.60 121.76 132.28 3gqh s ALA 805 Ca 0.01 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3gqh s ALA 805 Cb -0.03 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3gqh s ALA 805 CO -0.00 -0.16 -0.10 0.08 0.00 0.00 0.00 175.76 175.58 3gqh s VAL 806 N 0.39 0.80 0.20 0.00 1.01 0.33 -4.37 120.40 118.76 3gqh s VAL 806 Ca 0.50 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3gqh s VAL 806 Cb -0.24 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 3gqh s VAL 806 CO 0.30 0.23 1.40 -0.13 0.00 0.00 0.00 175.10 176.89 3gqh s ARG 807 N -0.23 4.31 0.13 2.72 0.52 -0.02 -1.47 118.95 124.91 3gqh s ARG 807 Ca 0.04 2.19 0.07 0.00 -0.52 0.00 0.00 55.73 57.51 3gqh s ARG 807 Cb -0.04 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 3gqh s ARG 807 CO -0.00 -0.38 -0.17 0.96 0.02 0.00 0.00 175.30 175.72 3gqh s ILE 808 N 0.31 1.59 0.33 1.52 -4.36 0.20 -0.68 121.20 120.12 3gqh s ILE 808 Ca 0.60 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.25 3gqh s ILE 808 Cb -0.39 -1.64 0.06 0.00 1.25 0.00 0.00 42.46 41.74 3gqh s ILE 808 CO 0.38 -0.30 0.46 -0.90 0.24 0.00 0.00 174.94 174.82 3gqh n ASP 809 N 0.57 0.71 0.08 4.36 3.85 -0.07 -0.55 116.55 125.50 3gqh n ASP 809 Ca -0.16 -1.58 0.11 0.00 -0.71 0.00 0.00 54.79 52.46 3gqh n ASP 809 Cb 0.56 -0.29 0.44 0.00 -1.35 0.00 0.00 41.12 40.48 3gqh n ASP 809 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3gqh n GLU 810 N -1.83 0.13 0.01 0.11 0.00 -1.26 -3.13 120.64 114.67 3gqh n GLU 810 Ca 0.08 0.32 0.12 0.00 0.00 0.00 0.00 57.16 57.67 3gqh n GLU 810 Cb 0.28 -1.73 0.17 0.00 0.00 0.00 0.00 31.44 30.16 3gqh n GLU 810 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3gqh n THR 811 N -1.97 0.08 -2.60 3.84 -2.24 -1.26 -4.94 114.28 105.20 3gqh n THR 811 Ca 0.03 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 3gqh n THR 811 Cb 0.24 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 3gqh n THR 811 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gqh s VAL 812 N -3.06 3.95 -0.00 2.28 1.01 -1.18 -4.32 120.40 119.07 3gqh s VAL 812 Ca 0.09 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.88 3gqh s VAL 812 Cb 0.16 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3gqh s VAL 812 CO 0.74 0.35 -0.10 -0.54 0.00 0.00 0.00 175.10 175.55 3gqh s LYS 813 N -0.71 0.80 0.22 2.72 1.02 -1.26 -5.02 119.74 117.52 3gqh s LYS 813 Ca 0.46 -0.38 -0.32 0.00 0.02 0.00 0.00 55.97 55.75 3gqh s LYS 813 Cb -0.28 -0.77 -0.14 0.00 -0.52 0.00 0.00 37.83 36.12 3gqh s LYS 813 CO 0.35 0.21 1.34 0.94 -0.92 0.00 0.00 175.35 177.27 3gqh n GLN 814 N 2.76 1.80 -0.17 1.68 7.27 -1.26 -2.14 117.38 127.31 3gqh n GLN 814 Ca -0.14 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3gqh n GLN 814 Cb 0.56 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 30.96 3gqh n GLN 814 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gqh n GLY 815 N 2.13 1.53 3.92 1.69 0.00 0.44 -4.97 105.19 109.93 3gqh n GLY 815 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3gqh n GLY 815 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gqh s HIS 816 N -2.78 2.18 0.65 1.61 3.76 -0.91 -4.73 115.29 115.08 3gqh s HIS 816 Ca 0.00 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 3gqh s HIS 816 Cb 0.00 -2.12 0.09 0.00 1.11 0.00 0.00 32.58 31.66 3gqh s HIS 816 CO 0.00 -0.42 0.91 -1.12 -0.85 0.00 0.00 174.74 173.26 3gqh s SER 817 N -4.28 4.71 0.11 1.40 0.01 -1.21 -0.51 113.70 113.93 3gqh s SER 817 Ca 0.47 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.49 3gqh s SER 817 Cb -0.04 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3gqh s SER 817 CO 0.28 -1.59 -0.11 0.27 0.41 0.00 0.00 173.24 172.50 3gqh s ILE 818 N -2.98 1.07 0.36 1.44 -4.36 0.14 -1.19 121.20 115.68 3gqh s ILE 818 Ca 0.63 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 3gqh s ILE 818 Cb -0.07 -1.45 -0.00 0.00 1.25 0.00 0.00 42.46 42.19 3gqh s ILE 818 CO 0.42 -0.53 0.01 0.47 0.24 0.00 0.00 174.94 175.55 3gqh n ASP 819 N 0.48 2.79 -4.19 4.36 10.43 0.67 -0.97 116.55 130.12 3gqh n ASP 819 Ca -0.15 -2.62 -0.25 0.00 2.57 0.00 0.00 54.79 54.34 3gqh n ASP 819 Cb 0.58 0.32 -0.15 0.00 1.84 0.00 0.00 41.12 43.71 3gqh n ASP 819 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gqh s ALA 820 N -2.66 1.53 -0.12 2.24 0.00 -1.26 -0.50 121.76 120.99 3gqh s ALA 820 Ca 0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3gqh s ALA 820 Cb 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.81 3gqh s ALA 820 CO 0.01 0.36 0.01 0.08 0.00 0.00 0.00 175.76 176.22 3gqh s VAL 821 N -0.56 0.47 -1.62 0.00 1.01 -0.28 -1.81 120.40 117.61 3gqh s VAL 821 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3gqh s VAL 821 Cb -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3gqh s VAL 821 CO 0.00 0.08 0.19 0.61 0.00 0.00 0.00 175.10 175.98 3gqh n GLY 822 N 5.10 -0.51 2.95 4.51 0.00 -1.14 -1.41 105.19 114.69 3gqh n GLY 822 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3gqh n GLY 822 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqh n GLY 823 N -1.14 0.92 3.70 -0.02 0.00 -0.12 -4.84 105.19 103.69 3gqh n GLY 823 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3gqh n GLY 823 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 824 N -3.72 4.78 0.32 1.61 1.01 -0.50 -0.53 120.40 123.37 3gqh s VAL 824 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 3gqh s VAL 824 Cb 0.00 -3.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 3gqh s VAL 824 CO 0.00 0.55 1.33 0.00 0.00 0.00 0.00 175.10 176.98 3gqh s ALA 825 N -0.37 3.52 0.22 5.51 0.00 0.15 -1.12 121.76 129.66 3gqh s ALA 825 Ca 0.09 1.29 0.07 0.00 0.00 0.00 0.00 51.96 53.41 3gqh s ALA 825 Cb -0.12 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3gqh s ALA 825 CO 0.02 -0.68 -0.11 -0.08 0.00 0.00 0.00 175.76 174.91 3gqh s THR 826 N -1.01 1.59 0.18 0.00 -1.32 0.35 -0.89 115.64 114.54 3gqh s THR 826 Ca 0.50 -2.16 -0.33 0.00 -1.21 0.00 0.00 61.69 58.49 3gqh s THR 826 Cb -0.40 -2.14 -0.14 0.00 -1.51 0.00 0.00 72.50 68.31 3gqh s THR 826 CO 0.53 -0.52 1.57 -0.67 -2.21 0.00 0.00 174.62 173.31 3gqh n ASP 827 N -0.41 3.15 0.00 8.08 2.03 -1.26 -0.23 116.55 127.90 3gqh n ASP 827 Ca -0.07 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.33 3gqh n ASP 827 Cb 0.61 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 3gqh n ASP 827 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gqh n GLY 828 N 3.25 2.30 0.08 0.27 0.00 -0.33 -4.27 105.19 106.49 3gqh n GLY 828 Ca 0.16 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3gqh n GLY 828 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqh n ASP 829 N 0.00 0.72 -4.87 1.61 10.43 -1.17 -3.36 116.55 119.91 3gqh n ASP 829 Ca 0.00 -0.86 -0.37 0.00 2.57 0.00 0.00 54.79 56.13 3gqh n ASP 829 Cb 0.00 0.56 -0.06 0.00 1.84 0.00 0.00 41.12 43.46 3gqh n ASP 829 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3gqh s ASN 830 N -0.95 6.52 0.74 -2.24 0.01 -0.14 -4.72 114.94 114.16 3gqh s ASN 830 Ca 0.03 0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 3gqh s ASN 830 Cb 0.03 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.57 3gqh s ASN 830 CO 0.12 0.36 0.00 0.49 -1.51 0.00 0.00 177.10 176.57 3gqh n PHE 831 N 1.81 -1.44 -3.90 2.20 0.99 -1.26 0.24 117.46 116.10 3gqh n PHE 831 Ca -0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.11 3gqh n PHE 831 Cb 0.54 0.20 -0.16 0.00 -1.00 0.00 0.00 39.48 39.06 3gqh n PHE 831 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gqh s ILE 832 N 0.00 0.15 -0.25 4.37 1.01 -1.19 -4.13 121.20 121.16 3gqh s ILE 832 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 3gqh s ILE 832 Cb 0.00 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.22 3gqh s ILE 832 CO 0.00 0.14 1.20 -0.69 0.00 0.00 0.00 174.94 175.59 3gqh s VAL 833 N 1.10 4.36 -0.11 2.92 1.01 0.34 -1.06 120.40 128.95 3gqh s VAL 833 Ca -0.09 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 3gqh s VAL 833 Cb -0.13 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 3gqh s VAL 833 CO -0.02 -0.32 0.83 1.56 0.00 0.00 0.00 175.10 177.16 3gqh h GLN 834 N 8.37 -0.01 -1.86 2.72 4.20 -0.88 0.13 115.11 127.77 3gqh h GLN 834 Ca -0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3gqh h GLN 834 Cb 1.08 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.65 3gqh h GLN 834 CO 1.00 0.82 0.26 -1.83 -0.67 0.00 0.00 178.83 178.41 3gqh s GLU 835 N -2.64 0.79 -0.42 1.46 -1.05 -1.10 -4.68 118.70 111.06 3gqh s GLU 835 Ca -0.17 0.66 -0.24 0.00 -0.15 0.00 0.00 54.97 55.06 3gqh s GLU 835 Cb -0.02 0.38 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 3gqh s GLU 835 CO 0.64 -0.15 0.86 0.42 0.95 0.00 0.00 175.26 177.99 3gqh s ILE 836 N -0.15 4.59 -0.10 1.83 1.01 -1.26 -0.47 121.20 126.65 3gqh s ILE 836 Ca -0.02 0.80 0.16 0.00 0.00 0.00 0.00 60.65 61.58 3gqh s ILE 836 Cb -0.03 -4.34 -0.19 0.00 0.01 0.00 0.00 42.46 37.91 3gqh s ILE 836 CO 0.01 -0.66 0.67 0.35 0.00 0.00 0.00 174.94 175.31 3gqh n THR 837 N 6.13 1.31 -3.78 2.92 -2.24 -0.12 -4.65 114.28 113.85 3gqh n THR 837 Ca 0.05 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.80 3gqh n THR 837 Cb 0.48 -0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 67.78 3gqh n THR 837 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gqh s THR 838 N -2.79 0.95 0.56 4.28 2.01 -0.67 -4.96 115.64 115.01 3gqh s THR 838 Ca -0.04 -1.20 -0.20 0.00 0.31 0.00 0.00 61.69 60.55 3gqh s THR 838 Cb 0.08 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.97 3gqh s THR 838 CO 0.82 -0.47 1.08 -2.65 -0.69 0.00 0.00 174.62 172.71 3gqh n PRO 839 N 4.85 1.18 -1.83 4.92 -0.02 -1.26 -0.01 135.00 142.82 3gqh n PRO 839 Ca -0.05 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3gqh n PRO 839 Cb 0.44 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3gqh n PRO 839 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3gqh s TYR 840 N -1.41 2.92 0.10 6.00 6.14 -1.26 -4.52 117.35 125.31 3gqh s TYR 840 Ca 0.73 0.63 0.07 0.00 0.64 0.00 0.00 57.07 59.14 3gqh s TYR 840 Cb -0.44 -4.02 -0.03 0.00 0.42 0.00 0.00 41.96 37.88 3gqh s TYR 840 CO 0.49 -3.67 -0.18 0.95 0.64 0.00 0.00 175.55 173.78 3gqh s THR 841 N 0.68 1.52 0.52 4.34 -4.23 -1.26 -4.93 115.64 112.28 3gqh s THR 841 Ca 0.68 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.44 3gqh s THR 841 Cb -0.47 -1.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.86 3gqh s THR 841 CO 0.38 -0.17 1.15 -0.54 -0.54 0.00 0.00 174.62 174.90 3gqh s LYS 842 N -2.05 3.47 0.00 3.99 1.02 -1.26 -2.52 119.74 122.39 3gqh s LYS 842 Ca 0.05 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.74 3gqh s LYS 842 Cb -0.09 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3gqh s LYS 842 CO 0.04 -0.78 0.00 0.39 -0.92 0.00 0.00 175.35 174.08 3gqh n GLU 843 N -1.02 0.00 0.01 1.68 -0.58 -1.26 -4.57 120.64 114.90 3gqh n GLU 843 Ca 0.10 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.64 3gqh n GLU 843 Cb 0.50 -2.70 -0.14 0.00 -0.57 0.00 0.00 31.44 28.53 3gqh n GLU 843 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3gqh h LYS 844 N 1.53 0.23 0.00 3.49 1.79 -1.99 -3.49 116.57 118.13 3gqh h LYS 844 Ca 0.00 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3gqh h LYS 844 Cb 0.00 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3gqh h LYS 844 CO 0.00 1.19 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 3gqh n GLY 845 N 1.69 1.20 3.51 3.86 0.00 -1.05 -5.00 105.19 109.39 3gqh n GLY 845 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3gqh n GLY 845 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gqh s TYR 846 N -2.95 -0.47 0.19 1.61 1.13 -1.26 -4.85 117.35 110.76 3gqh s TYR 846 Ca 0.00 0.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 3gqh s TYR 846 Cb 0.00 0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 41.45 3gqh s TYR 846 CO 0.00 -0.93 0.01 0.41 -2.51 0.00 0.00 175.55 172.53 3gqh n GLY 847 N -0.39 3.92 3.12 5.49 0.00 0.29 -4.00 105.19 113.62 3gqh n GLY 847 Ca -0.14 -2.23 -0.24 0.00 0.00 0.00 0.00 46.02 43.40 3gqh n GLY 847 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqh s VAL 848 N -1.78 1.26 0.08 1.61 1.01 0.98 -0.63 120.40 122.93 3gqh s VAL 848 Ca 0.01 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3gqh s VAL 848 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3gqh s VAL 848 CO 0.01 0.36 -0.11 0.00 0.00 0.00 0.00 175.10 175.36 3gqh s ALA 849 N -0.14 1.04 -0.11 5.51 0.00 -0.54 -0.95 121.76 126.58 3gqh s ALA 849 Ca 0.01 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 3gqh s ALA 849 Cb -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3gqh s ALA 849 CO 0.01 0.05 0.67 0.42 0.00 0.00 0.00 175.76 176.91 3gqh s ILE 850 N -1.74 5.05 -0.05 0.00 -1.09 0.38 -0.52 121.20 123.24 3gqh s ILE 850 Ca -0.01 1.34 0.05 0.00 -2.23 0.00 0.00 60.65 59.81 3gqh s ILE 850 Cb -0.07 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 3gqh s ILE 850 CO 0.01 0.21 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.02 3gqh s VAL 851 N 1.14 1.80 -0.55 2.92 1.01 0.23 -0.14 120.40 126.83 3gqh s VAL 851 Ca 0.34 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 3gqh s VAL 851 Cb -0.17 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.72 3gqh s VAL 851 CO 0.15 0.51 0.94 -0.22 0.00 0.00 0.00 175.10 176.47 3gqh s LEU 852 N -0.11 4.10 -0.14 3.92 2.96 -0.22 -1.19 118.68 127.99 3gqh s LEU 852 Ca -0.03 -0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 3gqh s LEU 852 Cb -0.13 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 3gqh s LEU 852 CO 0.03 -1.22 0.35 -0.69 -1.32 0.00 0.00 176.35 173.50 3gqh s VAL 853 N 3.94 5.26 0.00 1.68 1.01 -0.41 -3.19 120.40 128.68 3gqh s VAL 853 Ca 0.31 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3gqh s VAL 853 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3gqh s VAL 853 CO 0.20 0.38 0.00 0.29 0.00 0.00 0.00 175.10 175.97