#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwt s ALA 689 N 0.00 1.04 -0.43 -1.46 0.00 0.89 -4.68 121.76 117.12 3kwt s ALA 689 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 3kwt s ALA 689 Cb 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3kwt s ALA 689 CO 0.00 -0.06 0.83 0.15 0.00 0.00 0.00 175.76 176.68 3kwt s LYS 690 N 1.02 3.53 -0.18 0.00 1.02 -0.40 -0.11 119.74 124.61 3kwt s LYS 690 Ca -0.09 0.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 3kwt s LYS 690 Cb -0.15 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 3kwt s LYS 690 CO -0.00 -1.08 0.13 0.42 -0.92 0.00 0.00 175.35 173.89 3kwt s ILE 691 N 3.38 5.38 -0.20 2.17 1.01 0.00 -0.48 121.20 132.46 3kwt s ILE 691 Ca 0.32 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 3kwt s ILE 691 Cb -0.12 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 3kwt s ILE 691 CO 0.22 0.48 -0.05 -0.55 0.00 0.00 0.00 174.94 175.03 3kwt s SER 692 N 0.10 4.33 -0.14 3.58 0.15 0.10 -0.84 113.70 120.99 3kwt s SER 692 Ca 0.09 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.40 3kwt s SER 692 Cb -0.11 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 3kwt s SER 692 CO -0.01 0.04 -0.09 -0.63 1.20 0.00 0.00 173.24 173.75 3kwt s ILE 693 N 1.13 1.21 -0.24 6.45 1.01 0.13 -0.73 121.20 130.17 3kwt s ILE 693 Ca 0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 3kwt s ILE 693 Cb -0.15 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3kwt s ILE 693 CO -0.01 0.31 0.14 -0.89 0.00 0.00 0.00 174.94 174.50 3kwt s THR 694 N 1.62 5.22 -0.50 2.92 2.01 0.62 -0.46 115.64 127.07 3kwt s THR 694 Ca 0.03 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 3kwt s THR 694 Cb -0.14 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 68.98 3kwt s THR 694 CO -0.09 0.35 0.87 -0.69 -0.69 0.00 0.00 174.62 174.37 3kwt s VAL 695 N 1.06 4.52 -0.12 3.82 1.01 -0.07 -1.33 120.40 129.29 3kwt s VAL 695 Ca 0.07 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 3kwt s VAL 695 Cb -0.14 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 3kwt s VAL 695 CO 0.04 -0.93 0.17 0.58 0.00 0.00 0.00 175.10 174.96 3kwt h VAL 696 N 6.01 0.49 -1.51 2.92 2.07 -1.60 -1.17 116.25 123.45 3kwt h VAL 696 Ca -0.25 -1.40 0.31 0.00 0.82 0.00 0.00 66.70 66.18 3kwt h VAL 696 Cb 1.08 0.95 -0.12 0.00 -1.52 0.00 0.00 31.29 31.68 3kwt h VAL 696 CO 1.03 0.17 0.80 0.00 0.02 0.00 0.00 177.57 179.59 3kwt s ALA 698 N -2.49 1.63 -0.03 0.00 0.00 -0.06 -0.51 121.76 120.31 3kwt s ALA 698 Ca 0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.33 3kwt s ALA 698 Cb 0.04 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3kwt s ALA 698 CO -0.04 -0.34 0.07 -1.14 0.00 0.00 0.00 175.76 174.32 3kwt s GLN 699 N -3.93 0.09 -1.26 0.00 0.74 -0.28 -3.27 119.66 111.76 3kwt s GLN 699 Ca 0.30 0.10 -0.02 0.00 0.05 0.00 0.00 55.36 55.78 3kwt s GLN 699 Cb 0.06 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.22 3kwt s GLN 699 CO 0.08 -0.01 0.27 0.41 -0.55 0.00 0.00 175.29 175.49 3kwt n GLY 700 N 3.02 -0.25 3.77 2.59 0.00 -1.19 -0.71 105.19 112.41 3kwt n GLY 700 Ca -0.12 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3kwt n GLY 700 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwt s LEU 701 N -4.91 4.21 -0.21 0.99 1.43 -0.98 -2.89 118.68 116.31 3kwt s LEU 701 Ca 0.13 2.80 -0.03 0.00 -1.03 0.00 0.00 54.13 56.00 3kwt s LEU 701 Cb -0.06 -3.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.29 3kwt s LEU 701 CO 0.16 -0.95 -0.07 -1.10 0.23 0.00 0.00 176.35 174.63 3kwt s GLN 702 N -2.26 3.33 -0.19 1.70 1.11 -1.26 -4.87 119.66 117.22 3kwt s GLN 702 Ca 0.57 -0.65 -0.09 0.00 0.01 0.00 0.00 55.36 55.20 3kwt s GLN 702 Cb -0.41 -2.94 -0.05 0.00 -1.01 0.00 0.00 33.01 28.60 3kwt s GLN 702 CO 0.54 -0.19 0.10 0.00 0.01 0.00 0.00 175.29 175.76 3kwt s ALA 703 N 1.42 3.59 0.00 6.09 0.00 -1.26 -4.93 121.76 126.67 3kwt s ALA 703 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 3kwt s ALA 703 Cb -0.14 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 3kwt s ALA 703 CO -0.04 0.18 0.01 1.63 0.00 0.00 0.00 175.76 177.54 3kwt n LYS 704 N 3.48 -0.00 0.00 0.00 5.02 -1.26 -4.83 118.16 120.57 3kwt n LYS 704 Ca -0.16 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3kwt n LYS 704 Cb 0.52 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 3kwt n LYS 704 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kwt n ASP 705 N -3.23 0.00 -1.55 4.39 2.03 -1.26 -5.13 116.55 111.80 3kwt n ASP 705 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 3kwt n ASP 705 Cb 0.00 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.61 3kwt n ASP 705 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kwt n GLY 708 N 5.00 4.60 0.00 0.27 0.00 -1.26 -5.09 105.19 108.71 3kwt n GLY 708 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3kwt n GLY 708 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kwt n SER 709 N -1.00 0.00 -3.45 1.61 2.88 -1.26 -5.02 113.62 107.39 3kwt n SER 709 Ca 0.41 -0.42 -0.11 0.00 -1.33 0.00 0.00 58.87 57.42 3kwt n SER 709 Cb 1.26 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.70 3kwt n SER 709 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3kwt s SER 710 N 0.37 -0.52 -0.77 -3.46 0.15 -1.26 -4.57 113.70 103.64 3kwt s SER 710 Ca 0.00 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.67 3kwt s SER 710 Cb 0.00 0.55 0.19 0.00 -1.71 0.00 0.00 66.02 65.04 3kwt s SER 710 CO 0.00 -0.89 0.60 -1.81 1.20 0.00 0.00 173.24 172.34 3kwt s ASP 711 N -2.69 5.25 0.28 5.45 1.01 -1.26 -1.29 116.67 123.43 3kwt s ASP 711 Ca 0.02 -3.82 -0.29 0.00 0.71 0.00 0.00 52.55 49.17 3kwt s ASP 711 Cb -0.01 -1.73 -0.09 0.00 1.01 0.00 0.00 42.92 42.09 3kwt s ASP 711 CO -0.12 -0.12 1.05 -2.16 0.21 0.00 0.00 175.17 174.03 3kwt s PRO 712 N -1.43 4.66 0.27 8.23 0.04 -0.82 -0.60 135.00 145.34 3kwt s PRO 712 Ca 0.26 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3kwt s PRO 712 Cb -0.05 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3kwt s PRO 712 CO -0.15 0.27 0.12 1.52 0.04 0.00 0.00 177.00 178.79 3kwt s TYR 713 N -1.22 1.52 -0.04 0.56 -0.85 -0.64 -0.94 117.35 115.74 3kwt s TYR 713 Ca 0.45 -1.25 0.03 0.00 -0.52 0.00 0.00 57.07 55.78 3kwt s TYR 713 Cb -0.29 -0.85 0.00 0.00 0.38 0.00 0.00 41.96 41.19 3kwt s TYR 713 CO 0.37 -0.42 -0.14 0.08 -1.52 0.00 0.00 175.55 173.93 3kwt s VAL 714 N -3.76 1.15 0.05 -3.49 1.01 -1.26 -1.55 120.40 112.55 3kwt s VAL 714 Ca 0.37 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3kwt s VAL 714 Cb 0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3kwt s VAL 714 CO 0.14 0.34 0.12 0.42 0.00 0.00 0.00 175.10 176.13 3kwt s THR 715 N 0.15 4.85 -0.05 3.92 -4.23 0.22 -0.14 115.64 120.35 3kwt s THR 715 Ca -0.04 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.91 3kwt s THR 715 Cb -0.11 -3.32 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3kwt s THR 715 CO 0.02 0.19 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.59 3kwt s VAL 716 N -1.38 0.32 -0.06 2.29 1.01 0.51 -1.38 120.40 121.71 3kwt s VAL 716 Ca 0.29 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.38 3kwt s VAL 716 Cb -0.12 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3kwt s VAL 716 CO 0.22 0.21 -0.16 -1.58 0.00 0.00 0.00 175.10 173.79 3kwt s GLN 717 N 1.48 1.98 -0.16 2.72 0.74 -0.17 -0.98 119.66 125.26 3kwt s GLN 717 Ca -0.03 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 3kwt s GLN 717 Cb -0.13 -1.62 0.04 0.00 1.10 0.00 0.00 33.01 32.41 3kwt s GLN 717 CO -0.03 0.13 -0.02 0.08 -0.55 0.00 0.00 175.29 174.90 3kwt s VAL 718 N 0.39 0.87 0.00 1.34 1.01 -0.37 -0.29 120.40 123.35 3kwt s VAL 718 Ca -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3kwt s VAL 718 Cb -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3kwt s VAL 718 CO 0.04 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3kwt n GLY 719 N 4.95 2.71 0.12 4.51 0.00 -1.26 -2.41 105.19 113.82 3kwt n GLY 719 Ca -0.10 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3kwt n GLY 719 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwt h LYS 720 N 0.00 0.00 -5.17 1.61 1.57 -1.98 -3.46 116.57 109.15 3kwt h LYS 720 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3kwt h LYS 720 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 3kwt h LYS 720 CO 0.00 0.00 -0.47 0.99 -0.57 0.00 0.00 179.45 179.40 3kwt s THR 721 N -3.15 5.35 -0.08 -0.16 2.01 -1.01 -5.08 115.64 113.52 3kwt s THR 721 Ca 0.09 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.37 3kwt s THR 721 Cb 0.11 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.11 3kwt s THR 721 CO 0.58 0.36 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.95 3kwt s LYS 722 N 0.93 2.22 0.25 4.92 2.20 -1.26 -1.23 119.74 127.77 3kwt s LYS 722 Ca 0.09 -0.59 0.08 0.00 -0.36 0.00 0.00 55.97 55.19 3kwt s LYS 722 Cb -0.13 -1.77 -0.05 0.00 -1.51 0.00 0.00 37.83 34.36 3kwt s LYS 722 CO 0.04 0.06 -0.11 0.15 -0.36 0.00 0.00 175.35 175.12 3kwt s LYS 723 N 0.62 1.50 0.03 4.03 1.02 -0.15 -4.96 119.74 121.83 3kwt s LYS 723 Ca -0.14 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.13 3kwt s LYS 723 Cb -0.16 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.88 3kwt s LYS 723 CO 0.04 0.13 -0.03 -0.98 -0.92 0.00 0.00 175.35 173.59 3kwt s ARG 724 N -3.67 0.37 0.96 1.68 1.70 -1.26 -0.36 118.95 118.36 3kwt s ARG 724 Ca 0.27 -0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 54.71 3kwt s ARG 724 Cb 0.01 0.09 0.16 0.00 -0.57 0.00 0.00 34.95 34.64 3kwt s ARG 724 CO 0.11 -0.05 1.13 0.95 -1.08 0.00 0.00 175.30 176.36 3kwt s THR 725 N -1.75 1.98 0.78 4.99 -4.23 0.80 -4.97 115.64 113.24 3kwt s THR 725 Ca -0.13 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 3kwt s THR 725 Cb -0.08 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.15 3kwt s THR 725 CO -0.02 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.62 3kwt s LYS 726 N -5.21 2.19 0.15 3.99 1.02 -1.26 -4.61 119.74 116.02 3kwt s LYS 726 Ca 0.65 1.21 -0.26 0.00 0.02 0.00 0.00 55.97 57.58 3kwt s LYS 726 Cb -0.15 -1.89 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 3kwt s LYS 726 CO 0.55 -1.70 0.82 0.99 -0.92 0.00 0.00 175.35 175.08 3kwt s THR 727 N -2.85 4.39 -0.13 2.17 2.01 -1.26 -4.52 115.64 115.44 3kwt s THR 727 Ca 0.62 1.79 -0.02 0.00 0.31 0.00 0.00 61.69 64.38 3kwt s THR 727 Cb -0.18 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 3kwt s THR 727 CO 0.55 0.48 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.27 3kwt s ILE 728 N -0.87 3.69 -0.11 1.82 -1.09 -0.11 -4.98 121.20 119.54 3kwt s ILE 728 Ca 0.38 -0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 58.25 3kwt s ILE 728 Cb -0.23 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 3kwt s ILE 728 CO 0.27 0.52 0.24 -0.31 -1.23 0.00 0.00 174.94 174.44 3kwt s TYR 729 N 0.09 3.58 -1.25 3.97 1.51 -1.26 -1.95 117.35 122.04 3kwt s TYR 729 Ca -0.02 0.64 -0.03 0.00 -1.01 0.00 0.00 57.07 56.65 3kwt s TYR 729 Cb -0.14 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.56 3kwt s TYR 729 CO 0.03 0.55 0.77 0.41 -1.11 0.00 0.00 175.55 176.20 3kwt n GLY 730 N 2.44 -0.46 3.18 0.71 0.00 -0.58 -4.97 105.19 105.51 3kwt n GLY 730 Ca -0.16 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3kwt n GLY 730 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwt s ASN 731 N -4.17 -0.13 0.04 1.61 3.84 -0.41 -4.83 114.94 110.89 3kwt s ASN 731 Ca 0.10 0.82 0.26 0.00 0.21 0.00 0.00 52.86 54.25 3kwt s ASN 731 Cb -0.02 1.27 0.79 0.00 -0.55 0.00 0.00 41.25 42.73 3kwt s ASN 731 CO 0.80 -0.24 1.63 0.18 -2.79 0.00 0.00 177.10 176.67 3kwt n LEU 732 N 5.38 0.38 -2.95 3.21 4.77 -1.26 -4.16 117.00 122.37 3kwt n LEU 732 Ca -0.07 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 55.94 3kwt n LEU 732 Cb 0.50 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3kwt n LEU 732 CO 0.01 0.02 0.06 0.59 -1.33 0.00 0.00 177.39 176.74 3kwt n ASN 733 N -1.67 3.61 -4.77 -1.43 3.02 -1.26 -2.33 115.26 110.43 3kwt n ASN 733 Ca 0.06 -3.51 -0.39 0.00 -0.03 0.00 0.00 54.58 50.71 3kwt n ASN 733 Cb 0.36 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3kwt n ASN 733 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kwt s PRO 734 N -3.24 4.20 -0.19 3.52 0.04 -1.20 -4.78 135.00 133.35 3kwt s PRO 734 Ca 0.46 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 3kwt s PRO 734 Cb 0.31 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3kwt s PRO 734 CO -0.13 -0.19 -0.08 0.08 0.04 0.00 0.00 177.00 176.72 3kwt s VAL 735 N -1.38 3.16 -0.23 -0.36 1.01 -1.26 -0.88 120.40 120.46 3kwt s VAL 735 Ca 0.54 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 3kwt s VAL 735 Cb -0.30 -2.39 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 3kwt s VAL 735 CO 0.39 0.47 -0.27 0.79 0.00 0.00 0.00 175.10 176.47 3kwt n TRP 736 N 4.37 0.00 -3.96 5.22 8.01 -0.10 -4.98 117.44 126.01 3kwt n TRP 736 Ca -0.18 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.71 3kwt n TRP 736 Cb 0.51 -0.84 -0.01 0.00 -2.01 0.00 0.00 31.31 28.96 3kwt n TRP 736 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3kwt n GLU 737 N -3.79 -2.33 -5.17 -0.99 1.02 -0.41 -4.97 120.64 103.99 3kwt n GLU 737 Ca -0.44 0.35 -0.31 0.00 -0.02 0.00 0.00 57.16 56.74 3kwt n GLU 737 Cb 0.85 -4.15 -0.17 0.00 -0.02 0.00 0.00 31.44 27.95 3kwt n GLU 737 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kwt s GLU 738 N -6.62 2.79 -0.16 3.49 2.02 -0.92 -4.96 118.70 114.34 3kwt s GLU 738 Ca 0.14 -0.84 -0.06 0.00 0.02 0.00 0.00 54.97 54.22 3kwt s GLU 738 Cb -0.06 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 3kwt s GLU 738 CO 0.90 0.22 0.06 1.21 0.02 0.00 0.00 175.26 177.67 3kwt s ASN 739 N 0.24 5.64 0.10 -0.19 3.04 -1.26 -0.89 114.94 121.62 3kwt s ASN 739 Ca -0.15 0.13 0.08 0.00 0.04 0.00 0.00 52.86 52.96 3kwt s ASN 739 Cb -0.17 -1.90 -0.03 0.00 -1.54 0.00 0.00 41.25 37.61 3kwt s ASN 739 CO 0.07 0.23 -0.20 -0.36 -3.04 0.00 0.00 177.10 173.80 3kwt s PHE 740 N 0.04 1.72 0.01 0.43 0.40 0.39 -4.97 117.98 115.99 3kwt s PHE 740 Ca 0.06 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 3kwt s PHE 740 Cb -0.12 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 3kwt s PHE 740 CO 0.01 0.20 -0.17 -1.01 0.70 0.00 0.00 175.22 174.95 3kwt s HIS 741 N -1.28 1.49 -0.00 0.36 3.76 -1.26 -0.69 115.29 117.67 3kwt s HIS 741 Ca 0.06 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 3kwt s HIS 741 Cb -0.09 -0.93 -0.00 0.00 1.11 0.00 0.00 32.58 32.66 3kwt s HIS 741 CO 0.04 0.02 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.83 3kwt s PHE 742 N -0.59 0.56 -0.25 1.40 0.40 -0.02 -5.00 117.98 114.49 3kwt s PHE 742 Ca 0.06 -0.11 -0.19 0.00 -0.60 0.00 0.00 56.93 56.09 3kwt s PHE 742 Cb -0.07 -0.36 -0.02 0.00 0.51 0.00 0.00 43.02 43.07 3kwt s PHE 742 CO 0.00 -0.01 0.56 -1.21 0.70 0.00 0.00 175.22 175.26 3kwt s GLU 743 N -0.16 4.09 -0.24 0.44 0.41 -1.26 -0.82 118.70 121.17 3kwt s GLU 743 Ca 0.02 0.41 -0.04 0.00 -0.41 0.00 0.00 54.97 54.96 3kwt s GLU 743 Cb -0.02 -3.64 -0.00 0.00 -1.78 0.00 0.00 34.13 28.68 3kwt s GLU 743 CO -0.00 -0.36 -0.02 0.00 -0.49 0.00 0.00 175.26 174.39 3kwt n HIS 745 N 4.79 1.02 -3.46 0.00 -0.00 -1.26 -0.08 115.22 116.24 3kwt n HIS 745 Ca -0.17 -0.87 -0.02 0.00 -0.00 0.00 0.00 57.72 56.65 3kwt n HIS 745 Cb 0.50 -0.33 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 3kwt n HIS 745 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kwt s ASN 746 N -1.86 -0.80 0.64 0.41 2.47 -1.26 -4.79 114.94 109.75 3kwt s ASN 746 Ca 0.43 1.03 0.42 0.00 0.42 0.00 0.00 52.86 55.16 3kwt s ASN 746 Cb 0.35 1.87 2.20 0.00 -1.45 0.00 0.00 41.25 44.21 3kwt s ASN 746 CO 0.09 -0.25 2.29 0.77 -3.72 0.00 0.00 177.10 176.29 3kwt h SER 747 N 8.07 0.00 0.77 -4.21 4.64 -1.99 -0.17 113.55 120.66 3kwt h SER 747 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3kwt h SER 747 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kwt h SER 747 CO 0.18 0.00 -0.01 -1.54 -0.87 0.00 0.00 176.83 174.59 3kwt n SER 748 N -3.11 0.03 -4.57 4.97 3.41 -1.26 -3.09 113.62 110.00 3kwt n SER 748 Ca -0.02 0.16 -0.34 0.00 -0.26 0.00 0.00 58.87 58.40 3kwt n SER 748 Cb 0.12 -0.37 0.11 0.00 -0.26 0.00 0.00 64.21 63.81 3kwt n SER 748 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kwt n ASP 749 N -1.39 -0.26 -4.38 4.04 10.43 -0.08 -4.84 116.55 120.08 3kwt n ASP 749 Ca 0.11 0.54 -0.21 0.00 2.57 0.00 0.00 54.79 57.79 3kwt n ASP 749 Cb 0.29 -1.36 -0.10 0.00 1.84 0.00 0.00 41.12 41.79 3kwt n ASP 749 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3kwt s ARG 750 N -3.60 1.41 -0.34 -1.24 0.52 -1.26 -2.16 118.95 112.28 3kwt s ARG 750 Ca 0.68 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 54.19 3kwt s ARG 750 Cb -0.29 -1.37 -0.00 0.00 0.52 0.00 0.00 34.95 33.80 3kwt s ARG 750 CO 0.56 0.25 0.22 0.42 0.02 0.00 0.00 175.30 176.77 3kwt s ILE 751 N -2.54 4.98 -0.28 1.52 1.01 0.14 -4.01 121.20 122.02 3kwt s ILE 751 Ca 0.22 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3kwt s ILE 751 Cb -0.04 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3kwt s ILE 751 CO 0.09 -0.05 0.09 -0.75 0.00 0.00 0.00 174.94 174.32 3kwt s LYS 752 N 1.66 3.38 -0.18 2.79 2.20 0.60 -1.34 119.74 128.86 3kwt s LYS 752 Ca 0.05 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.98 3kwt s LYS 752 Cb -0.18 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 3kwt s LYS 752 CO 0.09 -0.33 -0.13 0.08 -0.36 0.00 0.00 175.35 174.70 3kwt s VAL 753 N 1.57 2.76 -0.02 4.02 1.01 0.29 -1.00 120.40 129.04 3kwt s VAL 753 Ca 0.05 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3kwt s VAL 753 Cb -0.16 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3kwt s VAL 753 CO 0.04 0.49 -0.16 -0.13 0.00 0.00 0.00 175.10 175.34 3kwt s ARG 754 N 1.13 1.34 -0.07 2.72 0.52 -0.48 -1.07 118.95 123.04 3kwt s ARG 754 Ca 0.01 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3kwt s ARG 754 Cb -0.14 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.02 3kwt s ARG 754 CO -0.04 0.32 -0.00 0.08 0.02 0.00 0.00 175.30 175.67 3kwt s VAL 755 N -0.29 4.24 0.02 3.52 1.01 -0.26 -0.61 120.40 128.03 3kwt s VAL 755 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3kwt s VAL 755 Cb -0.07 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3kwt s VAL 755 CO -0.00 0.57 -0.05 -0.76 0.00 0.00 0.00 175.10 174.86 3kwt s LEU 756 N -0.97 2.17 -0.36 3.92 2.01 -0.60 -0.28 118.68 124.58 3kwt s LEU 756 Ca 0.14 -0.38 -0.11 0.00 0.01 0.00 0.00 54.13 53.79 3kwt s LEU 756 Cb -0.11 -0.09 0.02 0.00 0.01 0.00 0.00 46.19 46.01 3kwt s LEU 756 CO 0.03 -0.15 0.20 -0.62 1.01 0.00 0.00 176.35 176.82 3kwt s ASP 757 N -1.07 5.72 0.05 2.29 2.15 0.72 -1.63 116.67 124.90 3kwt s ASP 757 Ca -0.08 -0.84 -0.31 0.00 0.43 0.00 0.00 52.55 51.76 3kwt s ASP 757 Cb -0.07 -2.03 -0.06 0.00 -0.30 0.00 0.00 42.92 40.46 3kwt s ASP 757 CO -0.00 -0.33 1.26 -0.70 -0.17 0.00 0.00 175.17 175.22 3kwt s GLU 758 N 1.58 4.39 0.29 4.34 2.12 0.23 -2.63 118.70 129.02 3kwt s GLU 758 Ca 0.03 1.83 -0.28 0.00 0.36 0.00 0.00 54.97 56.91 3kwt s GLU 758 Cb -0.18 -3.38 -0.14 0.00 0.26 0.00 0.00 34.13 30.68 3kwt s GLU 758 CO 0.07 -0.35 0.98 -3.47 -0.54 0.00 0.00 175.26 171.95 3kwt n ASP 759 N 4.26 1.14 -0.17 -1.70 2.03 -1.26 -4.67 116.55 116.17 3kwt n ASP 759 Ca 0.10 1.17 0.09 0.00 0.52 0.00 0.00 54.79 56.68 3kwt n ASP 759 Cb 0.45 -1.27 0.41 0.00 -0.72 0.00 0.00 41.12 39.99 3kwt n ASP 759 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3kwt h ASP 760 N 1.92 0.56 -0.37 1.67 3.32 -1.98 -3.41 116.42 118.13 3kwt h ASP 760 Ca -0.39 0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.01 3kwt h ASP 760 Cb 1.35 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 3kwt h ASP 760 CO 0.60 0.34 2.53 -0.67 -1.72 0.00 0.00 179.24 180.33 3kwt n ASP 761 N -4.49 4.08 -0.15 6.45 2.03 -1.26 -4.69 116.55 118.51 3kwt n ASP 761 Ca 0.12 -2.84 -0.04 0.00 0.52 0.00 0.00 54.79 52.54 3kwt n ASP 761 Cb 0.32 -1.65 0.15 0.00 -0.72 0.00 0.00 41.12 39.23 3kwt n ASP 761 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3kwt h ILE 762 N 4.82 1.24 0.00 5.18 2.04 -2.00 -3.54 117.51 125.25 3kwt h ILE 762 Ca 0.48 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kwt h ILE 762 Cb 0.75 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3kwt h ILE 762 CO 1.68 0.33 0.25 0.50 0.00 0.00 0.00 178.15 180.91 3kwt h LYS 763 N 0.85 0.00 0.00 2.37 3.64 -1.99 -3.55 116.57 117.88 3kwt h LYS 763 Ca 0.18 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.26 3kwt h LYS 763 Cb 0.34 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3kwt h LYS 763 CO 0.00 0.00 -2.12 0.39 -2.27 0.00 0.00 179.45 175.45 3kwt n GLU 773 N -2.11 1.04 -3.15 1.90 1.02 -1.26 -5.23 120.64 112.85 3kwt n GLU 773 Ca -0.01 0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.78 3kwt n GLU 773 Cb 0.28 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 3kwt n GLU 773 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kwt s SER 774 N -5.37 6.87 0.07 1.62 0.15 -1.26 -5.03 113.70 110.76 3kwt s SER 774 Ca -0.16 1.05 0.05 0.00 0.70 0.00 0.00 55.95 57.59 3kwt s SER 774 Cb 0.06 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 3kwt s SER 774 CO 0.58 -0.07 -0.02 -1.81 1.20 0.00 0.00 173.24 173.12 3kwt s ASP 775 N 0.70 4.91 0.26 5.45 -0.00 -1.26 -4.72 116.67 122.02 3kwt s ASP 775 Ca 0.33 -0.18 -0.30 0.00 -0.00 0.00 0.00 52.55 52.40 3kwt s ASP 775 Cb -0.17 -1.15 -0.10 0.00 -0.00 0.00 0.00 42.92 41.50 3kwt s ASP 775 CO 0.15 0.20 1.46 -1.81 -0.00 0.00 0.00 175.17 175.17 3kwt s ASP 776 N -2.14 6.60 -0.17 0.27 -0.00 -1.08 -4.76 116.67 115.40 3kwt s ASP 776 Ca 0.24 2.72 -0.27 0.00 -0.00 0.00 0.00 52.55 55.23 3kwt s ASP 776 Cb -0.12 -2.63 -0.01 0.00 -0.00 0.00 0.00 42.92 40.17 3kwt s ASP 776 CO 0.16 -0.74 0.94 0.12 -0.00 0.00 0.00 175.17 175.65 3kwt s PHE 777 N -0.06 3.42 -1.93 4.23 5.36 -1.26 -0.20 117.98 127.55 3kwt s PHE 777 Ca 0.60 1.41 0.16 0.00 -0.96 0.00 0.00 56.93 58.14 3kwt s PHE 777 Cb -0.43 -3.13 0.18 0.00 -0.34 0.00 0.00 43.02 39.30 3kwt s PHE 777 CO 0.45 -0.30 1.08 1.28 -1.46 0.00 0.00 175.22 176.26 3kwt n LEU 778 N 5.47 2.54 0.00 6.12 4.77 0.62 -4.94 117.00 131.57 3kwt n LEU 778 Ca 0.08 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 3kwt n LEU 778 Cb 0.48 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3kwt n LEU 778 CO 0.50 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3kwt n GLY 779 N 0.93 3.56 3.13 -0.72 0.00 -1.24 -4.85 105.19 106.01 3kwt n GLY 779 Ca 0.11 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 3kwt n GLY 779 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kwt s GLN 780 N -2.78 0.76 0.01 1.61 -2.07 -0.67 -1.10 119.66 115.42 3kwt s GLN 780 Ca 0.00 -1.28 0.03 0.00 -1.82 0.00 0.00 55.36 52.29 3kwt s GLN 780 Cb 0.00 0.24 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3kwt s GLN 780 CO 0.00 -0.19 -0.09 -0.08 -1.32 0.00 0.00 175.29 173.61 3kwt s THR 781 N -3.96 0.71 -0.14 3.63 -1.32 -0.23 0.54 115.64 114.86 3kwt s THR 781 Ca 0.13 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 60.05 3kwt s THR 781 Cb 0.07 -0.64 0.01 0.00 -1.51 0.00 0.00 72.50 70.44 3kwt s THR 781 CO -0.05 0.06 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.60 3kwt s ILE 782 N -0.50 1.86 -0.14 5.08 1.01 -1.26 -0.55 121.20 126.70 3kwt s ILE 782 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3kwt s ILE 782 Cb -0.05 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 3kwt s ILE 782 CO 0.00 0.51 -0.17 -0.63 0.00 0.00 0.00 174.94 174.65 3kwt s ILE 783 N 1.04 2.60 0.09 2.92 1.01 -0.45 -4.98 121.20 123.42 3kwt s ILE 783 Ca -0.03 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 3kwt s ILE 783 Cb -0.15 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.18 3kwt s ILE 783 CO -0.05 0.53 1.28 -1.61 0.00 0.00 0.00 174.94 175.08 3kwt s GLU 784 N 0.67 4.39 0.23 2.79 0.41 -1.26 -0.68 118.70 125.25 3kwt s GLU 784 Ca -0.08 1.90 -0.05 0.00 -0.41 0.00 0.00 54.97 56.32 3kwt s GLU 784 Cb -0.16 -3.30 0.24 0.00 -1.78 0.00 0.00 34.13 29.13 3kwt s GLU 784 CO 0.02 -0.33 1.77 0.28 -0.49 0.00 0.00 175.26 176.51 3kwt h VAL 785 N 4.39 1.25 -0.80 2.63 2.07 -1.66 -2.72 116.25 121.42 3kwt h VAL 785 Ca -0.42 -0.90 0.23 0.00 0.82 0.00 0.00 66.70 66.44 3kwt h VAL 785 Cb 1.21 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3kwt h VAL 785 CO 0.83 0.34 0.61 -0.09 0.02 0.00 0.00 177.57 179.29 3kwt h ARG 786 N 0.98 0.00 0.00 1.57 2.43 -1.77 -2.84 114.38 114.76 3kwt h ARG 786 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3kwt h ARG 786 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kwt h ARG 786 CO -0.00 0.00 -0.44 0.25 -1.51 0.00 0.00 179.97 178.27 3kwt n THR 787 N -4.15 0.13 -2.45 0.20 -2.24 -1.02 -4.99 114.28 99.76 3kwt n THR 787 Ca 0.16 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 3kwt n THR 787 Cb 0.90 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 3kwt n THR 787 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kwt s LEU 788 N -3.43 4.46 0.00 3.22 1.43 -1.08 -5.05 118.68 118.24 3kwt s LEU 788 Ca 0.10 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 3kwt s LEU 788 Cb 0.16 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3kwt s LEU 788 CO 0.68 -0.31 0.00 -1.20 0.23 0.00 0.00 176.35 175.75 3kwt n SER 789 N 2.62 0.00 -0.09 2.29 7.64 -1.26 -5.01 113.62 119.81 3kwt n SER 789 Ca 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 3kwt n SER 789 Cb 0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 3kwt n SER 789 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3kwt h GLY 790 N 0.00 0.00 -5.63 0.23 0.00 -1.92 -3.41 103.07 92.33 3kwt h GLY 790 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3kwt h GLY 790 CO 0.00 0.00 -0.29 1.85 0.00 0.00 0.00 176.54 178.10 3kwt s GLU 791 N -2.29 0.40 0.01 4.80 2.12 -1.26 -2.79 118.70 119.69 3kwt s GLU 791 Ca -0.22 0.81 -0.00 0.00 0.36 0.00 0.00 54.97 55.91 3kwt s GLU 791 Cb 0.04 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 3kwt s GLU 791 CO 0.43 -0.16 -0.01 0.00 -0.54 0.00 0.00 175.26 174.98 3kwt s MET 792 N 1.42 0.17 -0.24 4.30 0.23 -0.29 -5.00 119.30 119.89 3kwt s MET 792 Ca -0.10 -0.30 0.01 0.00 -1.03 0.00 0.00 55.69 54.27 3kwt s MET 792 Cb -0.08 0.06 0.06 0.00 -1.53 0.00 0.00 34.83 33.34 3kwt s MET 792 CO -0.13 -0.03 -0.06 0.34 -2.03 0.00 0.00 175.02 173.11 3kwt s ASP 793 N -0.75 3.92 -0.01 -1.18 -1.08 -1.26 -0.32 116.67 115.99 3kwt s ASP 793 Ca -0.08 -1.20 0.01 0.00 -0.52 0.00 0.00 52.55 50.76 3kwt s ASP 793 Cb -0.05 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 3kwt s ASP 793 CO -0.00 -0.22 -0.03 -0.69 0.52 0.00 0.00 175.17 174.74 3kwt s VAL 794 N 1.35 0.30 -0.19 1.11 1.01 -0.20 -4.98 120.40 118.80 3kwt s VAL 794 Ca -0.06 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 3kwt s VAL 794 Cb -0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3kwt s VAL 794 CO -0.06 0.10 0.35 0.26 0.00 0.00 0.00 175.10 175.76 3kwt s TRP 795 N 0.10 3.40 -0.09 5.22 0.52 -1.26 -1.63 118.94 125.20 3kwt s TRP 795 Ca -0.01 0.59 0.02 0.00 0.02 0.00 0.00 56.10 56.73 3kwt s TRP 795 Cb -0.04 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 3kwt s TRP 795 CO -0.00 0.08 -0.15 0.71 0.02 0.00 0.00 176.95 177.60 3kwt s TYR 796 N 1.01 2.73 0.21 -1.98 1.51 -0.29 -4.95 117.35 115.59 3kwt s TYR 796 Ca 0.18 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 3kwt s TYR 796 Cb -0.14 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.88 3kwt s TYR 796 CO 0.07 -0.09 1.29 -0.80 -1.11 0.00 0.00 175.55 174.91 3kwt s ASN 797 N -0.06 6.92 0.04 2.29 0.01 -1.26 -0.46 114.94 122.43 3kwt s ASN 797 Ca -0.03 2.39 -0.30 0.00 -0.71 0.00 0.00 52.86 54.21 3kwt s ASN 797 Cb -0.14 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 3kwt s ASN 797 CO 0.04 -0.50 1.20 -0.76 -1.51 0.00 0.00 177.10 175.57 3kwt s LEU 798 N -0.24 4.36 -0.06 0.60 1.43 -0.43 -4.76 118.68 119.58 3kwt s LEU 798 Ca 0.56 1.99 -0.21 0.00 -1.03 0.00 0.00 54.13 55.44 3kwt s LEU 798 Cb -0.36 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 3kwt s LEU 798 CO 0.39 -0.49 0.59 -1.81 0.23 0.00 0.00 176.35 175.26 3kwt s ASP 799 N 1.13 6.88 -0.00 2.29 1.01 0.19 -4.65 116.67 123.53 3kwt s ASP 799 Ca 0.58 1.06 -0.00 0.00 0.71 0.00 0.00 52.55 54.90 3kwt s ASP 799 Cb -0.29 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 3kwt s ASP 799 CO 0.28 0.00 0.00 -0.75 0.21 0.00 0.00 175.17 174.92 3kwt s LYS 800 N 0.38 0.02 0.00 8.23 2.20 -1.26 -1.67 119.74 127.64 3kwt s LYS 800 Ca 0.31 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 3kwt s LYS 800 Cb -0.17 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 3kwt s LYS 800 CO 0.15 -0.00 0.00 0.54 -0.36 0.00 0.00 175.35 175.68 3kwt n ARG 801 N 3.00 0.00 -1.50 4.03 5.12 -1.26 -5.10 116.66 120.95 3kwt n ARG 801 Ca -0.13 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.38 3kwt n ARG 801 Cb 0.60 -1.27 -0.08 0.00 -1.16 0.00 0.00 32.46 30.55 3kwt n ARG 801 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3kwt n VAL 807 N 0.88 0.02 0.13 1.55 0.24 -1.26 -5.29 118.33 114.60 3kwt n VAL 807 Ca 0.00 -0.40 0.07 0.00 -2.04 0.00 0.00 64.34 61.97 3kwt n VAL 807 Cb 0.00 -1.75 0.13 0.00 -1.47 0.00 0.00 33.84 30.75 3kwt n VAL 807 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3kwt n SER 808 N 12.50 2.72 0.00 -1.34 7.64 -1.26 -4.75 113.62 129.13 3kwt n SER 808 Ca 0.47 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.54 3kwt n SER 808 Cb 0.29 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3kwt n SER 808 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwt n GLY 809 N 0.78 -1.65 3.34 0.23 0.00 -1.14 -4.33 105.19 102.42 3kwt n GLY 809 Ca 0.12 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 3kwt n GLY 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwt s ALA 810 N -1.06 -1.09 -0.03 4.61 0.00 0.11 -1.31 121.76 122.98 3kwt s ALA 810 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3kwt s ALA 810 Cb 0.00 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3kwt s ALA 810 CO 0.00 -0.60 -0.08 -1.50 0.00 0.00 0.00 175.76 173.58 3kwt s ILE 811 N -3.30 0.71 -0.20 0.00 2.07 0.39 -1.12 121.20 119.75 3kwt s ILE 811 Ca -0.00 -0.30 -0.09 0.00 -1.41 0.00 0.00 60.65 58.85 3kwt s ILE 811 Cb 0.01 -0.65 -0.05 0.00 0.13 0.00 0.00 42.46 41.90 3kwt s ILE 811 CO -0.08 0.23 0.10 -0.60 -1.91 0.00 0.00 174.94 172.68 3kwt s ARG 812 N 0.34 4.07 -0.02 3.50 3.52 0.34 -1.13 118.95 129.57 3kwt s ARG 812 Ca -0.05 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.29 3kwt s ARG 812 Cb -0.10 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3kwt s ARG 812 CO 0.01 0.25 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.12 3kwt s LEU 813 N 0.48 1.88 -0.17 -0.88 1.43 -0.64 -1.65 118.68 119.12 3kwt s LEU 813 Ca 0.06 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3kwt s LEU 813 Cb -0.12 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 3kwt s LEU 813 CO -0.00 0.10 -0.11 -2.28 0.23 0.00 0.00 176.35 174.29 3kwt s HIS 814 N 0.03 2.86 -0.04 0.29 5.65 -0.44 -1.04 115.29 122.61 3kwt s HIS 814 Ca -0.01 -0.92 0.01 0.00 0.25 0.00 0.00 55.06 54.40 3kwt s HIS 814 Cb -0.08 -1.96 0.02 0.00 -1.18 0.00 0.00 32.58 29.38 3kwt s HIS 814 CO 0.00 -0.44 -0.06 0.42 -0.65 0.00 0.00 174.74 174.02 3kwt s ILE 815 N 0.93 0.60 0.04 0.89 1.01 0.56 -0.27 121.20 124.97 3kwt s ILE 815 Ca -0.02 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.46 3kwt s ILE 815 Cb -0.15 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 3kwt s ILE 815 CO -0.01 0.22 -0.09 -0.94 0.00 0.00 0.00 174.94 174.13 3kwt s SER 816 N 0.63 0.99 -0.04 3.58 1.04 0.09 -1.14 113.70 118.85 3kwt s SER 816 Ca -0.09 -0.53 0.06 0.00 0.48 0.00 0.00 55.95 55.86 3kwt s SER 816 Cb -0.12 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3kwt s SER 816 CO 0.00 -0.17 -0.21 0.68 0.98 0.00 0.00 173.24 174.53 3kwt s VAL 817 N -1.29 1.71 -0.02 5.02 -7.23 -1.12 -0.72 120.40 116.75 3kwt s VAL 817 Ca -0.08 -0.89 0.06 0.00 -1.81 0.00 0.00 61.98 59.26 3kwt s VAL 817 Cb -0.10 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 3kwt s VAL 817 CO 0.01 0.48 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.39 3kwt s GLU 818 N -0.17 2.26 0.00 4.82 2.12 0.37 -4.92 118.70 123.16 3kwt s GLU 818 Ca -0.00 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.48 3kwt s GLU 818 Cb -0.11 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.06 3kwt s GLU 818 CO 0.02 0.58 0.00 1.51 -0.54 0.00 0.00 175.26 176.83