#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxb s LYS 775 N 0.00 1.38 0.07 -0.78 -2.85 -1.10 -5.00 119.74 111.46 3cxb s LYS 775 Ca 0.00 -0.64 -0.00 0.00 -1.00 0.00 0.00 55.97 54.33 3cxb s LYS 775 Cb 0.00 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3cxb s LYS 775 CO 0.00 -0.62 -0.04 -1.83 0.10 0.00 0.00 175.35 172.96 3cxb s GLU 776 N -3.68 0.68 0.00 1.78 -1.05 -1.26 -0.93 118.70 114.24 3cxb s GLU 776 Ca 0.06 -1.24 0.00 0.00 -0.15 0.00 0.00 54.97 53.64 3cxb s GLU 776 Cb -0.03 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 3cxb s GLU 776 CO -0.05 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.50 3cxb n GLY 777 N 0.11 0.70 3.82 -3.83 0.00 0.14 -5.00 105.19 101.13 3cxb n GLY 777 Ca -0.14 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 3cxb n GLY 777 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cxb s MET 778 N -2.00 3.96 0.12 1.61 1.75 -1.26 0.10 119.30 123.57 3cxb s MET 778 Ca 0.00 0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.81 3cxb s MET 778 Cb 0.00 -3.26 -0.01 0.00 2.84 0.00 0.00 34.83 34.41 3cxb s MET 778 CO 0.00 0.60 0.12 1.28 -0.65 0.00 0.00 175.02 176.38 3cxb n LEU 779 N 2.17 0.00 -4.44 4.11 4.32 -0.38 -4.90 117.00 117.88 3cxb n LEU 779 Ca -0.13 -1.06 -0.22 0.00 -0.02 0.00 0.00 56.01 54.58 3cxb n LEU 779 Cb 0.52 0.68 -0.10 0.00 -1.62 0.00 0.00 43.42 42.90 3cxb n LEU 779 CO 0.38 -0.20 -0.35 -1.00 -1.22 0.00 0.00 177.39 175.00 3cxb s HIS 780 N -3.09 1.98 -0.24 -1.77 3.76 -0.80 -0.48 115.29 114.66 3cxb s HIS 780 Ca 0.13 -0.72 -0.15 0.00 -0.15 0.00 0.00 55.06 54.16 3cxb s HIS 780 Cb 0.00 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.60 3cxb s HIS 780 CO 0.09 0.26 0.60 1.52 -0.85 0.00 0.00 174.74 176.35 3cxb s TYR 781 N -3.03 -0.85 0.23 1.40 -0.85 -0.27 -1.66 117.35 112.31 3cxb s TYR 781 Ca 0.30 1.79 0.04 0.00 -0.52 0.00 0.00 57.07 58.69 3cxb s TYR 781 Cb 0.04 0.44 0.23 0.00 0.38 0.00 0.00 41.96 43.06 3cxb s TYR 781 CO 0.13 -0.43 1.55 -0.22 -1.52 0.00 0.00 175.55 175.05 3cxb h LYS 782 N 6.61 0.27 -6.02 -3.49 3.64 -1.51 -2.99 116.57 113.08 3cxb h LYS 782 Ca -0.31 -0.18 -0.54 0.00 -1.27 0.00 0.00 60.65 58.35 3cxb h LYS 782 Cb 1.20 0.03 0.24 0.00 -0.41 0.00 0.00 32.23 33.29 3cxb h LYS 782 CO 0.19 0.79 -2.03 0.00 -2.27 0.00 0.00 179.45 176.12 3cxb n ALA 783 N -2.47 -5.53 -3.64 5.00 0.00 -1.26 -3.47 120.51 109.13 3cxb n ALA 783 Ca -0.02 -0.85 -0.20 0.00 0.00 0.00 0.00 53.44 52.36 3cxb n ALA 783 Cb 0.62 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 19.04 3cxb n ALA 783 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxb n GLY 784 N 3.45 -0.31 0.00 0.00 0.00 -1.26 -4.85 105.19 102.22 3cxb n GLY 784 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3cxb n GLY 784 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cxb n THR 785 N -4.25 0.00 0.00 2.61 5.66 -1.23 -5.02 114.28 112.05 3cxb n THR 785 Ca -0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 3cxb n THR 785 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 3cxb n THR 785 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3cxb n SER 786 N 0.00 0.00 0.00 1.09 2.88 -1.26 -4.82 113.62 111.51 3cxb n SER 786 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3cxb n SER 786 Cb 0.00 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3cxb n SER 786 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxb n TYR 787 N -1.78 0.00 0.13 0.66 0.18 -1.26 -3.50 117.16 111.59 3cxb n TYR 787 Ca 0.00 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.54 3cxb n TYR 787 Cb 0.00 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.81 3cxb n TYR 787 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 3cxb h LEU 788 N 0.00 0.77 -6.25 -3.48 5.85 -2.05 -3.47 115.31 106.69 3cxb h LEU 788 Ca 0.00 -0.89 0.17 0.00 0.84 0.00 0.00 57.88 58.00 3cxb h LEU 788 Cb 0.00 -0.25 -0.22 0.00 0.37 0.00 0.00 40.66 40.56 3cxb h LEU 788 CO 0.00 1.71 0.06 -0.83 -0.34 0.00 0.00 178.44 179.05 3cxb s GLY 789 N -4.74 -0.45 0.00 3.75 0.00 -1.26 -5.10 107.32 99.53 3cxb s GLY 789 Ca -0.10 2.65 0.00 0.00 0.00 0.00 0.00 44.72 47.27 3cxb s GLY 789 CO 0.92 3.46 0.00 0.58 0.00 0.00 0.00 173.10 178.07 3cxb n LYS 790 N 5.28 0.00 -3.43 2.90 0.00 -1.25 -5.09 118.16 116.57 3cxb n LYS 790 Ca -0.07 0.04 -0.31 0.00 -0.00 0.00 0.00 58.31 57.96 3cxb n LYS 790 Cb 0.52 -0.07 -0.05 0.00 -0.00 0.00 0.00 35.03 35.43 3cxb n LYS 790 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3cxb s GLU 791 N -0.04 3.76 0.07 -1.58 1.03 -1.23 -4.80 118.70 115.90 3cxb s GLU 791 Ca 0.00 0.20 -0.04 0.00 0.03 0.00 0.00 54.97 55.15 3cxb s GLU 791 Cb 0.00 -2.67 -0.05 0.00 -0.80 0.00 0.00 34.13 30.62 3cxb s GLU 791 CO 0.00 0.31 0.29 -1.01 -1.33 0.00 0.00 175.26 173.53 3cxb s HIS 792 N -1.85 3.53 -0.55 4.83 3.76 -1.26 -4.96 115.29 118.79 3cxb s HIS 792 Ca 0.46 0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 55.67 3cxb s HIS 792 Cb -0.11 -1.94 0.08 0.00 1.11 0.00 0.00 32.58 31.72 3cxb s HIS 792 CO 0.23 0.54 0.64 -1.58 -0.85 0.00 0.00 174.74 173.73 3cxb s TRP 793 N -1.48 3.04 0.33 1.40 0.52 -1.26 -4.68 118.94 116.81 3cxb s TRP 793 Ca 0.34 -0.80 -0.19 0.00 0.02 0.00 0.00 56.10 55.47 3cxb s TRP 793 Cb -0.13 -3.76 -0.09 0.00 -1.15 0.00 0.00 33.47 28.34 3cxb s TRP 793 CO 0.22 -1.15 0.81 0.21 0.02 0.00 0.00 176.95 177.07 3cxb s LYS 794 N 2.55 4.19 0.70 4.98 2.20 -1.13 -4.73 119.74 128.49 3cxb s LYS 794 Ca 0.12 0.91 -0.11 0.00 -0.36 0.00 0.00 55.97 56.53 3cxb s LYS 794 Cb -0.22 -2.51 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 3cxb s LYS 794 CO 0.08 0.18 1.08 0.95 -0.36 0.00 0.00 175.35 177.28 3cxb s THR 795 N -1.89 3.74 0.28 3.43 -4.23 -1.26 -1.12 115.64 114.59 3cxb s THR 795 Ca 0.53 0.57 -0.19 0.00 -1.18 0.00 0.00 61.69 61.42 3cxb s THR 795 Cb -0.12 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.21 3cxb s THR 795 CO 0.18 -0.74 0.66 0.00 -0.54 0.00 0.00 174.62 174.18 3cxb s PHE 797 N -3.88 2.63 -0.00 0.00 2.19 0.71 -1.26 117.98 118.37 3cxb s PHE 797 Ca 0.14 -1.01 0.08 0.00 0.33 0.00 0.00 56.93 56.47 3cxb s PHE 797 Cb -0.05 -1.76 -0.02 0.00 -1.31 0.00 0.00 43.02 39.88 3cxb s PHE 797 CO 0.08 -0.41 -0.26 0.08 1.83 0.00 0.00 175.22 176.54 3cxb s VAL 798 N 0.43 2.04 -0.03 3.12 1.01 0.11 -0.64 120.40 126.44 3cxb s VAL 798 Ca -0.15 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.67 3cxb s VAL 798 Cb -0.17 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3cxb s VAL 798 CO 0.07 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.96 3cxb s VAL 799 N -0.66 0.41 -0.55 2.92 1.01 -0.60 -0.68 120.40 122.25 3cxb s VAL 799 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3cxb s VAL 799 Cb -0.10 -0.45 0.14 0.00 0.00 0.00 0.00 36.38 35.98 3cxb s VAL 799 CO -0.00 0.19 0.32 -0.22 0.00 0.00 0.00 175.10 175.39 3cxb s LEU 800 N 0.80 4.69 -0.14 3.92 2.96 -0.11 0.15 118.68 130.95 3cxb s LEU 800 Ca -0.10 -2.93 -0.02 0.00 -0.22 0.00 0.00 54.13 50.86 3cxb s LEU 800 Cb -0.13 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3cxb s LEU 800 CO -0.00 -0.29 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.13 3cxb s SER 801 N 0.13 4.62 1.46 3.68 0.15 -0.16 -2.70 113.70 120.88 3cxb s SER 801 Ca 0.17 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3cxb s SER 801 Cb -0.23 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 3cxb s SER 801 CO -0.02 0.19 0.00 -3.20 1.20 0.00 0.00 173.24 171.42 3cxb n ASN 802 N 3.37 0.00 -0.28 5.45 4.05 -1.26 -1.55 115.26 125.04 3cxb n ASN 802 Ca -0.18 0.00 0.05 0.00 0.45 0.00 0.00 54.58 54.90 3cxb n ASN 802 Cb 0.53 0.00 0.10 0.00 1.23 0.00 0.00 39.78 41.64 3cxb n ASN 802 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3cxb n GLY 803 N 0.00 3.50 3.71 8.20 0.00 -1.26 -4.75 105.19 114.59 3cxb n GLY 803 Ca 0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3cxb n GLY 803 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxb s ILE 804 N -1.66 4.39 -0.17 -0.61 1.01 -0.59 -2.29 121.20 121.29 3cxb s ILE 804 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3cxb s ILE 804 Cb 0.13 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 3cxb s ILE 804 CO 0.05 0.45 -0.12 -0.22 0.00 0.00 0.00 174.94 175.11 3cxb s LEU 805 N -1.37 2.66 0.01 2.97 2.96 -0.46 -0.99 118.68 124.46 3cxb s LEU 805 Ca 0.18 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3cxb s LEU 805 Cb -0.12 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3cxb s LEU 805 CO 0.08 0.08 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.75 3cxb s TYR 806 N 0.88 2.70 -0.08 5.38 1.51 0.12 -0.80 117.35 127.06 3cxb s TYR 806 Ca -0.03 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3cxb s TYR 806 Cb -0.15 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 3cxb s TYR 806 CO -0.00 0.29 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.45 3cxb s GLN 807 N -1.33 1.96 0.23 -0.62 0.74 0.84 -1.56 119.66 119.92 3cxb s GLN 807 Ca 0.15 -0.49 0.11 0.00 0.05 0.00 0.00 55.36 55.19 3cxb s GLN 807 Cb -0.11 -1.63 -0.05 0.00 1.10 0.00 0.00 33.01 32.32 3cxb s GLN 807 CO 0.05 -0.00 -0.22 0.71 -0.55 0.00 0.00 175.29 175.28 3cxb s TYR 808 N 0.80 2.26 0.17 1.67 2.02 0.19 0.79 117.35 125.24 3cxb s TYR 808 Ca -0.11 -0.36 0.32 0.00 -0.37 0.00 0.00 57.07 56.55 3cxb s TYR 808 Cb -0.16 -1.05 1.37 0.00 -0.40 0.00 0.00 41.96 41.72 3cxb s TYR 808 CO 0.02 0.58 1.99 -1.00 -1.57 0.00 0.00 175.55 175.57 3cxb h PRO 809 N 2.78 0.00 0.00 -1.71 0.13 -1.87 0.20 132.00 131.53 3cxb h PRO 809 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 3cxb h PRO 809 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3cxb h PRO 809 CO 0.54 0.05 0.07 -0.40 -0.23 0.00 0.00 178.00 178.03 3cxb n ASP 810 N -3.19 -0.98 -0.67 1.44 5.75 -1.26 -4.07 116.55 113.57 3cxb n ASP 810 Ca 0.00 -1.82 0.05 0.00 -0.01 0.00 0.00 54.79 53.00 3cxb n ASP 810 Cb 0.31 1.67 0.14 0.00 -1.03 0.00 0.00 41.12 42.21 3cxb n ASP 810 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3cxb n ARG 811 N -0.27 1.89 0.00 0.11 1.85 -1.26 -4.10 116.66 114.88 3cxb n ARG 811 Ca -0.03 -1.16 0.00 0.00 -1.00 0.00 0.00 57.85 55.67 3cxb n ARG 811 Cb 0.29 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 3cxb n ARG 811 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3cxb n THR 812 N 0.38 0.00 0.33 8.89 -2.24 -1.26 -4.83 114.28 115.56 3cxb n THR 812 Ca 0.11 -0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 3cxb n THR 812 Cb 0.34 1.23 0.57 0.00 -2.10 0.00 0.00 70.33 70.37 3cxb n THR 812 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3cxb h ASP 813 N 0.00 0.00 0.00 3.42 -0.00 -1.97 -3.45 116.42 114.42 3cxb h ASP 813 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3cxb h ASP 813 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 3cxb h ASP 813 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 179.24 179.79 3cxb n VAL 814 N -2.39 0.00 -3.41 2.25 3.14 -1.26 -4.78 118.33 111.88 3cxb n VAL 814 Ca 0.01 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.95 3cxb n VAL 814 Cb 0.19 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.91 3cxb n VAL 814 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 3cxb s ILE 815 N -0.21 4.86 -0.20 1.55 2.07 -1.26 -5.03 121.20 122.98 3cxb s ILE 815 Ca 0.00 -1.79 -0.32 0.00 -1.41 0.00 0.00 60.65 57.13 3cxb s ILE 815 Cb 0.00 -4.13 -0.15 0.00 0.13 0.00 0.00 42.46 38.32 3cxb s ILE 815 CO 0.00 -0.86 0.99 -0.81 -1.91 0.00 0.00 174.94 172.35 3cxb n PRO 816 N 4.88 0.00 0.09 3.50 -0.04 -1.26 -4.81 135.00 137.36 3cxb n PRO 816 Ca -0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 3cxb n PRO 816 Cb 0.41 -1.09 -0.12 0.00 -0.04 0.00 0.00 33.50 32.65 3cxb n PRO 816 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3cxb h LEU 817 N 2.98 0.30 -7.04 1.53 5.85 0.03 -3.46 115.31 115.49 3cxb h LEU 817 Ca -0.34 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.01 3cxb h LEU 817 Cb 1.02 -0.10 -0.21 0.00 0.37 0.00 0.00 40.66 41.74 3cxb h LEU 817 CO 0.60 1.23 0.10 -0.22 -0.34 0.00 0.00 178.44 179.81 3cxb s LEU 818 N -7.06 -0.60 -0.06 2.25 2.96 -0.97 -5.00 118.68 110.20 3cxb s LEU 818 Ca -0.03 1.27 -0.00 0.00 -0.22 0.00 0.00 54.13 55.15 3cxb s LEU 818 Cb 0.08 2.35 0.03 0.00 0.50 0.00 0.00 46.19 49.15 3cxb s LEU 818 CO 0.86 -0.29 -0.02 -0.55 -1.32 0.00 0.00 176.35 175.04 3cxb s SER 819 N 0.13 1.31 -0.06 3.68 0.15 -1.26 -0.11 113.70 117.55 3cxb s SER 819 Ca -0.02 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.57 3cxb s SER 819 Cb -0.04 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 3cxb s SER 819 CO 0.02 -0.14 -0.17 0.68 1.20 0.00 0.00 173.24 174.83 3cxb s VAL 820 N 1.55 1.48 -0.83 4.45 -7.23 0.02 -4.99 120.40 114.85 3cxb s VAL 820 Ca -0.01 -0.72 -0.22 0.00 -1.81 0.00 0.00 61.98 59.21 3cxb s VAL 820 Cb -0.13 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.60 3cxb s VAL 820 CO -0.03 0.43 1.15 0.21 -0.31 0.00 0.00 175.10 176.55 3cxb s ASN 821 N 0.19 6.39 0.41 4.85 3.04 -1.26 -1.36 114.94 127.20 3cxb s ASN 821 Ca -0.08 -1.38 -0.26 0.00 0.04 0.00 0.00 52.86 51.18 3cxb s ASN 821 Cb -0.13 -2.46 -0.09 0.00 -1.54 0.00 0.00 41.25 37.03 3cxb s ASN 821 CO 0.03 -1.37 1.36 -0.04 -3.04 0.00 0.00 177.10 174.04 3cxb s MET 822 N 3.97 3.95 0.00 0.43 -1.94 -0.97 -1.57 119.30 123.17 3cxb s MET 822 Ca 0.32 2.29 0.00 0.00 -1.71 0.00 0.00 55.69 56.59 3cxb s MET 822 Cb -0.08 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 33.97 3cxb s MET 822 CO -0.00 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.86 3cxb n GLY 823 N 0.63 2.26 3.82 -0.03 0.00 -1.17 -4.60 105.19 106.10 3cxb n GLY 823 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3cxb n GLY 823 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxb n GLY 824 N -2.00 1.85 4.53 -0.02 0.00 -0.61 -4.09 105.19 104.85 3cxb n GLY 824 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 3cxb n GLY 824 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cxb n GLU 825 N -2.29 0.00 0.00 1.61 2.13 -1.26 -1.98 120.64 118.85 3cxb n GLU 825 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3cxb n GLU 825 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 3cxb n GLU 825 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3cxb n GLN 826 N 0.00 0.00 -4.88 5.31 1.13 -1.26 -5.66 117.38 112.02 3cxb n GLN 826 Ca 0.00 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.73 3cxb n GLN 826 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 3cxb n GLN 826 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cxb n GLY 828 N 3.33 -0.13 0.00 0.00 0.00 -0.15 -4.80 105.19 103.45 3cxb n GLY 828 Ca -0.18 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3cxb n GLY 828 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxb n GLY 829 N 1.27 0.88 3.09 -0.02 0.00 -1.25 -4.91 105.19 104.25 3cxb n GLY 829 Ca 0.07 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 3cxb n GLY 829 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxb s ARG 831 N -0.65 1.04 0.34 0.00 1.70 -1.01 -5.00 118.95 115.36 3cxb s ARG 831 Ca -0.07 -0.73 -0.27 0.00 -0.47 0.00 0.00 55.73 54.19 3cxb s ARG 831 Cb -0.04 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 3cxb s ARG 831 CO 0.01 -0.40 1.04 1.03 -1.08 0.00 0.00 175.30 175.90 3cxb s ARG 832 N -3.80 4.43 0.57 3.89 0.52 -1.26 -1.52 118.95 121.78 3cxb s ARG 832 Ca 0.03 1.58 0.05 0.00 -0.52 0.00 0.00 55.73 56.87 3cxb s ARG 832 Cb 0.02 -2.85 0.07 0.00 0.52 0.00 0.00 34.95 32.71 3cxb s ARG 832 CO -0.12 0.09 0.78 0.00 0.02 0.00 0.00 175.30 176.07 3cxb s ALA 833 N -1.46 4.26 1.15 2.13 0.00 0.14 -4.84 121.76 123.15 3cxb s ALA 833 Ca 0.51 -1.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 3cxb s ALA 833 Cb -0.25 -1.76 0.27 0.00 0.00 0.00 0.00 23.12 21.38 3cxb s ALA 833 CO 0.32 -0.84 1.14 0.54 0.00 0.00 0.00 175.76 176.92 3cxb s ASN 834 N -4.56 1.37 0.00 0.00 2.20 -1.26 -4.83 114.94 107.86 3cxb s ASN 834 Ca 0.60 0.61 0.00 0.00 -0.94 0.00 0.00 52.86 53.13 3cxb s ASN 834 Cb -0.08 -0.85 0.00 0.00 -2.00 0.00 0.00 41.25 38.32 3cxb s ASN 834 CO 0.39 -3.84 0.00 0.41 -2.94 0.00 0.00 177.10 171.11 3cxb n THR 835 N -4.57 0.00 -3.59 0.54 -1.04 -1.26 -4.83 114.28 99.54 3cxb n THR 835 Ca 0.13 0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.98 3cxb n THR 835 Cb 0.59 -0.30 0.07 0.00 -1.82 0.00 0.00 70.33 68.87 3cxb n THR 835 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3cxb n THR 836 N 0.00 -4.42 -3.34 12.58 -2.24 -1.26 -3.80 114.28 111.80 3cxb n THR 836 Ca 0.00 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 3cxb n THR 836 Cb 0.00 -4.23 0.03 0.00 -2.10 0.00 0.00 70.33 64.03 3cxb n THR 836 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cxb n ASP 837 N -3.05 -6.15 0.00 3.42 10.43 -1.26 -4.98 116.55 114.97 3cxb n ASP 837 Ca -0.17 0.04 0.00 0.00 2.57 0.00 0.00 54.79 57.23 3cxb n ASP 837 Cb 0.63 -2.59 0.00 0.00 1.84 0.00 0.00 41.12 41.00 3cxb n ASP 837 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3cxb n ARG 838 N -0.16 0.00 -1.64 -1.24 1.85 -1.25 -5.16 116.66 109.06 3cxb n ARG 838 Ca -0.03 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.40 3cxb n ARG 838 Cb 0.62 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.04 3cxb n ARG 838 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3cxb n PRO 839 N 0.00 1.51 -3.25 2.89 -0.04 -1.26 -3.36 135.00 131.49 3cxb n PRO 839 Ca 0.00 0.54 -0.18 0.00 -0.04 0.00 0.00 63.50 63.82 3cxb n PRO 839 Cb 0.00 -2.15 0.05 0.00 -0.04 0.00 0.00 33.50 31.37 3cxb n PRO 839 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3cxb n HIS 840 N -0.43 -2.08 -3.65 0.54 8.25 -1.26 -4.44 115.22 112.15 3cxb n HIS 840 Ca 0.09 0.71 -0.37 0.00 -0.26 0.00 0.00 57.72 57.89 3cxb n HIS 840 Cb 0.39 -4.00 -0.06 0.00 1.12 0.00 0.00 29.99 27.45 3cxb n HIS 840 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cxb s ALA 841 N -3.21 3.77 0.15 -1.41 0.00 -1.21 -1.64 121.76 118.21 3cxb s ALA 841 Ca 0.41 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.88 3cxb s ALA 841 Cb -0.18 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 3cxb s ALA 841 CO 0.51 0.55 0.27 -0.59 0.00 0.00 0.00 175.76 176.49 3cxb s PHE 842 N -1.12 0.33 0.08 0.00 -0.12 -0.74 -0.68 117.98 115.73 3cxb s PHE 842 Ca 0.22 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.43 3cxb s PHE 842 Cb -0.15 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 3cxb s PHE 842 CO 0.11 -0.68 -0.10 1.14 -0.05 0.00 0.00 175.22 175.64 3cxb s GLN 843 N -3.94 0.78 -0.32 1.99 -2.07 -0.58 -0.72 119.66 114.80 3cxb s GLN 843 Ca 0.14 -1.07 -0.02 0.00 -1.82 0.00 0.00 55.36 52.59 3cxb s GLN 843 Cb 0.04 -0.50 0.06 0.00 -1.09 0.00 0.00 33.01 31.52 3cxb s GLN 843 CO -0.03 0.08 0.04 0.08 -1.32 0.00 0.00 175.29 174.15 3cxb s VAL 844 N -2.18 3.01 0.21 3.63 1.01 -0.83 -2.41 120.40 122.84 3cxb s VAL 844 Ca 0.02 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 3cxb s VAL 844 Cb -0.04 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 3cxb s VAL 844 CO 0.00 -0.25 1.39 -0.63 0.00 0.00 0.00 175.10 175.61 3cxb s ILE 845 N 1.21 2.94 0.02 2.22 1.09 -0.31 -1.64 121.20 126.74 3cxb s ILE 845 Ca -0.02 0.76 0.06 0.00 -1.10 0.00 0.00 60.65 60.36 3cxb s ILE 845 Cb -0.20 -3.49 -0.02 0.00 -1.06 0.00 0.00 42.46 37.69 3cxb s ILE 845 CO -0.02 0.11 -0.19 -0.76 -0.10 0.00 0.00 174.94 173.98 3cxb s LEU 846 N -0.04 2.13 0.21 2.97 1.43 -1.26 -0.97 118.68 123.14 3cxb s LEU 846 Ca 0.59 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 3cxb s LEU 846 Cb -0.39 -0.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 3cxb s LEU 846 CO 0.39 0.16 1.18 -0.44 0.23 0.00 0.00 176.35 177.88 3cxb s SER 847 N -0.93 7.11 -1.14 2.29 0.01 -1.02 -3.62 113.70 116.39 3cxb s SER 847 Ca 0.06 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.58 3cxb s SER 847 Cb -0.08 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3cxb s SER 847 CO 0.01 -0.34 0.00 0.47 0.41 0.00 0.00 173.24 173.79 3cxb n ASP 848 N 2.22 -3.73 -3.59 2.44 10.43 -1.26 -4.91 116.55 118.15 3cxb n ASP 848 Ca 0.03 0.23 -0.09 0.00 2.57 0.00 0.00 54.79 57.53 3cxb n ASP 848 Cb 0.45 -3.26 -0.05 0.00 1.84 0.00 0.00 41.12 40.09 3cxb n ASP 848 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cxb s ARG 849 N -4.41 0.48 0.23 -1.24 1.04 -1.24 -5.16 118.95 108.65 3cxb s ARG 849 Ca 0.00 0.15 -0.30 0.00 -1.04 0.00 0.00 55.73 54.54 3cxb s ARG 849 Cb 0.00 0.23 -0.15 0.00 -2.04 0.00 0.00 34.95 32.98 3cxb s ARG 849 CO 0.00 -0.14 0.93 -0.35 -0.04 0.00 0.00 175.30 175.69 3cxb n PRO 850 N 0.81 0.91 -1.03 3.89 -0.04 -1.26 -4.22 135.00 134.05 3cxb n PRO 850 Ca -0.09 0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.39 3cxb n PRO 850 Cb 0.58 -1.63 0.14 0.00 -0.04 0.00 0.00 33.50 32.54 3cxb n PRO 850 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cxb s LEU 852 N -6.30 4.47 -0.42 0.00 2.96 -0.65 -4.86 118.68 113.89 3cxb s LEU 852 Ca 0.64 -0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 54.07 3cxb s LEU 852 Cb -0.20 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.83 3cxb s LEU 852 CO 0.58 -0.69 0.76 -1.61 -1.32 0.00 0.00 176.35 174.06 3cxb s GLU 853 N 2.69 3.50 0.33 1.98 0.41 -1.26 -1.97 118.70 124.37 3cxb s GLU 853 Ca 0.21 -0.02 0.08 0.00 -0.41 0.00 0.00 54.97 54.83 3cxb s GLU 853 Cb -0.15 -3.90 -0.04 0.00 -1.78 0.00 0.00 34.13 28.27 3cxb s GLU 853 CO 0.17 -1.01 0.17 -0.51 -0.49 0.00 0.00 175.26 173.59 3cxb s LEU 854 N 3.15 3.34 -0.17 1.80 1.43 0.10 -1.42 118.68 126.90 3cxb s LEU 854 Ca 0.29 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 3cxb s LEU 854 Cb -0.13 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.31 3cxb s LEU 854 CO 0.20 -0.29 0.41 -0.55 0.23 0.00 0.00 176.35 176.35 3cxb s SER 855 N -3.87 -0.52 0.32 2.29 0.15 -0.67 -1.80 113.70 109.61 3cxb s SER 855 Ca 0.38 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.96 3cxb s SER 855 Cb -0.03 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 65.10 3cxb s SER 855 CO 0.23 -0.19 0.37 0.00 1.20 0.00 0.00 173.24 174.85 3cxb n ALA 856 N 4.28 0.43 -0.01 5.45 0.00 -0.65 -1.89 120.51 128.11 3cxb n ALA 856 Ca -0.23 -0.90 0.10 0.00 0.00 0.00 0.00 53.44 52.41 3cxb n ALA 856 Cb 0.55 0.22 -0.17 0.00 0.00 0.00 0.00 19.45 20.06 3cxb n ALA 856 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3cxb n GLU 857 N -1.61 0.65 -4.14 0.00 0.28 -1.26 -4.73 120.64 109.83 3cxb n GLU 857 Ca 0.07 -0.19 -0.09 0.00 -0.16 0.00 0.00 57.16 56.79 3cxb n GLU 857 Cb 0.26 -1.51 -0.10 0.00 1.43 0.00 0.00 31.44 31.52 3cxb n GLU 857 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3cxb s SER 858 N -4.51 0.36 0.40 -1.84 1.04 -1.26 -5.01 113.70 102.89 3cxb s SER 858 Ca -0.08 -1.16 0.17 0.00 0.48 0.00 0.00 55.95 55.36 3cxb s SER 858 Cb 0.13 0.27 0.87 0.00 0.10 0.00 0.00 66.02 67.39 3cxb s SER 858 CO 0.89 -0.70 1.87 -0.08 0.98 0.00 0.00 173.24 176.20 3cxb h GLU 859 N 2.93 0.00 0.02 4.02 4.57 -1.96 -2.87 114.58 121.30 3cxb h GLU 859 Ca -0.35 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3cxb h GLU 859 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3cxb h GLU 859 CO 0.61 0.31 -0.01 0.00 -1.18 0.00 0.00 179.01 178.74 3cxb h ALA 860 N 1.69 -0.03 -0.49 2.92 0.00 -1.98 -2.36 119.26 118.99 3cxb h ALA 860 Ca -0.00 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3cxb h ALA 860 Cb 0.62 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3cxb h ALA 860 CO 0.04 -0.10 0.15 1.49 0.00 0.00 0.00 179.25 180.83 3cxb h GLU 861 N -0.87 0.30 -0.68 0.00 4.81 -1.98 0.22 114.58 116.39 3cxb h GLU 861 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3cxb h GLU 861 Cb 0.74 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3cxb h GLU 861 CO 0.01 0.20 0.42 0.00 -0.73 0.00 0.00 179.01 178.90 3cxb h MET 862 N 0.31 0.91 0.00 1.92 -0.00 -1.60 0.17 114.93 116.64 3cxb h MET 862 Ca 0.24 -0.08 -0.04 0.00 -0.00 0.00 0.00 59.70 59.82 3cxb h MET 862 Cb 0.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 3cxb h MET 862 CO -0.27 0.64 -0.20 0.00 -0.00 0.00 0.00 176.91 177.08 3cxb h ALA 863 N 1.22 1.64 -0.24 -3.00 0.00 -0.71 0.20 119.26 118.37 3cxb h ALA 863 Ca 0.24 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3cxb h ALA 863 Cb -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3cxb h ALA 863 CO -0.05 0.25 -0.41 1.49 0.00 0.00 0.00 179.25 180.53 3cxb h GLU 864 N 0.00 0.71 -0.11 0.00 4.81 0.12 -1.66 114.58 118.45 3cxb h GLU 864 Ca -0.00 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3cxb h GLU 864 Cb 0.36 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3cxb h GLU 864 CO 0.03 1.06 0.01 -1.49 -0.73 0.00 0.00 179.01 177.89 3cxb h TRP 865 N 0.43 0.20 -0.44 0.92 4.06 -0.08 -2.51 115.95 118.53 3cxb h TRP 865 Ca 0.02 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 61.03 3cxb h TRP 865 Cb 1.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 29.03 3cxb h TRP 865 CO 0.08 0.40 -0.07 1.98 -3.56 0.00 0.00 178.44 177.26 3cxb h MET 866 N -0.06 0.03 -0.78 0.49 4.05 -0.59 0.11 114.93 118.18 3cxb h MET 866 Ca 0.03 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 3cxb h MET 866 Cb 0.31 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 3cxb h MET 866 CO 0.00 0.02 0.36 0.37 0.23 0.00 0.00 176.91 177.89 3cxb h GLN 867 N 0.03 1.13 0.09 0.39 4.15 -1.23 -0.93 115.11 118.75 3cxb h GLN 867 Ca 0.22 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 3cxb h GLN 867 Cb 0.33 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3cxb h GLN 867 CO -0.43 0.88 -0.04 0.45 -1.93 0.00 0.00 178.83 177.76 3cxb h HIS 868 N 1.12 -0.11 -0.77 3.99 3.86 -0.85 -2.44 115.15 119.95 3cxb h HIS 868 Ca 0.27 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.51 3cxb h HIS 868 Cb 0.14 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 3cxb h HIS 868 CO 0.01 0.33 0.49 -0.07 0.86 0.00 0.00 177.93 179.55 3cxb h LEU 869 N -0.61 0.80 -1.12 2.43 3.38 -0.72 -0.88 115.31 118.60 3cxb h LEU 869 Ca -0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3cxb h LEU 869 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3cxb h LEU 869 CO 0.02 0.55 -0.41 0.00 0.09 0.00 0.00 178.44 178.70 3cxb h GLN 871 N 0.00 0.15 -0.63 0.00 4.15 -0.78 -2.55 115.11 115.45 3cxb h GLN 871 Ca -0.00 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.42 3cxb h GLN 871 Cb 0.79 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 3cxb h GLN 871 CO 0.05 0.42 0.42 0.00 -1.93 0.00 0.00 178.83 177.79 3cxb h ALA 872 N 0.73 1.74 -0.57 3.38 0.00 -0.86 -0.59 119.26 123.09 3cxb h ALA 872 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3cxb h ALA 872 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3cxb h ALA 872 CO 0.00 0.17 0.09 0.28 0.00 0.00 0.00 179.25 179.80 3cxb h VAL 873 N 0.67 1.24 0.00 0.00 2.07 -1.08 -2.44 116.25 116.72 3cxb h VAL 873 Ca 0.27 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3cxb h VAL 873 Cb 0.20 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3cxb h VAL 873 CO -0.08 0.35 0.00 -1.20 0.02 0.00 0.00 177.57 176.66 3cxb n SER 874 N -4.24 0.00 0.00 0.57 7.64 -0.23 -4.22 113.62 113.14 3cxb n SER 874 Ca 0.04 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3cxb n SER 874 Cb 0.27 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3cxb n SER 874 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3cxb n LYS 875 N -1.04 2.89 0.00 1.43 5.02 -0.93 -5.10 118.16 120.43 3cxb n LYS 875 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3cxb n LYS 875 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 3cxb n LYS 875 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29