#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh0 s LEU 788 N 0.00 4.15 -0.07 3.41 1.43 -1.26 -5.10 118.68 121.24 3kh0 s LEU 788 Ca 0.00 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3kh0 s LEU 788 Cb 0.00 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3kh0 s LEU 788 CO 0.00 -0.10 0.03 -0.31 0.23 0.00 0.00 176.35 176.20 3kh0 s TYR 789 N -1.92 3.22 0.21 0.29 1.51 -1.26 -5.11 117.35 114.29 3kh0 s TYR 789 Ca 0.43 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 3kh0 s TYR 789 Cb -0.11 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 3kh0 s TYR 789 CO 0.27 0.51 0.09 -0.06 -1.11 0.00 0.00 175.55 175.25 3kh0 s PHE 790 N -0.97 1.28 0.02 2.71 0.40 -1.26 -5.00 117.98 115.16 3kh0 s PHE 790 Ca 0.16 -1.23 0.02 0.00 -0.60 0.00 0.00 56.93 55.27 3kh0 s PHE 790 Cb -0.12 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 3kh0 s PHE 790 CO 0.05 -0.44 -0.06 1.14 0.70 0.00 0.00 175.22 176.60 3kh0 s GLN 791 N -4.06 0.45 -0.13 0.44 -2.07 -1.26 -5.08 119.66 107.95 3kh0 s GLN 791 Ca 0.35 -0.54 -0.29 0.00 -1.82 0.00 0.00 55.36 53.06 3kh0 s GLN 791 Cb 0.07 -0.28 0.08 0.00 -1.09 0.00 0.00 33.01 31.79 3kh0 s GLN 791 CO 0.10 0.06 0.77 0.20 -1.32 0.00 0.00 175.29 175.10 3kh0 s GLY 792 N -1.05 -0.49 -0.59 2.60 0.00 -1.26 -4.60 107.32 101.93 3kh0 s GLY 792 Ca -0.06 1.69 0.01 0.00 0.00 0.00 0.00 44.72 46.35 3kh0 s GLY 792 CO 0.00 1.20 1.76 -2.01 0.00 0.00 0.00 173.10 174.05 3kh0 n ASN 793 N 1.34 6.78 -3.89 1.64 4.05 -1.26 -4.93 115.26 118.98 3kh0 n ASN 793 Ca -0.16 -3.78 -0.17 0.00 0.45 0.00 0.00 54.58 50.92 3kh0 n ASN 793 Cb 0.57 -0.80 -0.15 0.00 1.23 0.00 0.00 39.78 40.62 3kh0 n ASN 793 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 3kh0 s GLN 794 N -3.79 0.47 0.08 1.20 0.74 -1.26 -5.05 119.66 112.06 3kh0 s GLN 794 Ca 0.58 -0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.96 3kh0 s GLN 794 Cb 0.47 -0.52 -0.23 0.00 1.10 0.00 0.00 33.01 33.82 3kh0 s GLN 794 CO -0.08 -0.02 1.15 0.37 -0.55 0.00 0.00 175.29 176.16 3kh0 h GLN 795 N 6.71 0.07 -2.76 1.67 4.15 -2.03 -3.48 115.11 119.44 3kh0 h GLN 795 Ca -0.35 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 58.91 3kh0 h GLN 795 Cb 1.16 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.76 3kh0 h GLN 795 CO 0.49 1.00 0.19 0.54 -1.93 0.00 0.00 178.83 179.11 3kh0 s VAL 796 N -2.68 0.00 0.00 2.39 0.11 -1.26 -5.18 120.40 113.79 3kh0 s VAL 796 Ca -0.01 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 3kh0 s VAL 796 Cb 0.09 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 3kh0 s VAL 796 CO 0.84 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 173.20 3kh0 n GLY 797 N -0.02 0.79 3.78 6.54 0.00 -1.26 -5.04 105.19 109.98 3kh0 n GLY 797 Ca -0.18 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.22 3kh0 n GLY 797 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kh0 s ASP 798 N 0.00 6.20 0.39 1.61 1.01 -1.26 -4.93 116.67 119.69 3kh0 s ASP 798 Ca 0.00 2.17 -0.12 0.00 0.71 0.00 0.00 52.55 55.31 3kh0 s ASP 798 Cb 0.00 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.39 3kh0 s ASP 798 CO 0.00 -0.89 0.73 0.00 0.21 0.00 0.00 175.17 175.22 3kh0 s ILE 801 N -1.74 5.33 0.32 0.00 1.01 -1.26 -0.22 121.20 124.63 3kh0 s ILE 801 Ca -0.11 0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.82 3kh0 s ILE 801 Cb -0.05 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3kh0 s ILE 801 CO 0.01 0.30 0.10 0.27 0.00 0.00 0.00 174.94 175.62 3kh0 s ILE 802 N 1.37 3.13 -0.20 2.92 -4.36 0.19 -4.91 121.20 119.34 3kh0 s ILE 802 Ca 0.08 -1.76 -0.03 0.00 -0.26 0.00 0.00 60.65 58.68 3kh0 s ILE 802 Cb -0.15 -2.95 -0.01 0.00 1.25 0.00 0.00 42.46 40.61 3kh0 s ILE 802 CO 0.07 -0.23 -0.06 -0.13 0.24 0.00 0.00 174.94 174.83 3kh0 s ARG 803 N -3.79 3.38 -0.22 0.37 0.52 0.42 0.09 118.95 119.72 3kh0 s ARG 803 Ca 0.36 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.90 3kh0 s ARG 803 Cb -0.03 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 3kh0 s ARG 803 CO 0.22 -0.10 -0.06 0.08 0.02 0.00 0.00 175.30 175.46 3kh0 s VAL 804 N 1.21 3.26 0.12 3.52 1.01 0.45 0.02 120.40 129.98 3kh0 s VAL 804 Ca 0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3kh0 s VAL 804 Cb -0.14 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 3kh0 s VAL 804 CO -0.02 0.43 0.46 -0.55 0.00 0.00 0.00 175.10 175.43 3kh0 s SER 805 N 1.45 6.69 -0.04 3.32 0.15 0.73 -1.41 113.70 124.59 3kh0 s SER 805 Ca 0.06 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.60 3kh0 s SER 805 Cb -0.14 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 3kh0 s SER 805 CO -0.04 0.12 -0.04 -0.22 1.20 0.00 0.00 173.24 174.26 3kh0 s LEU 806 N -2.04 1.37 -0.39 3.45 2.96 -0.72 -0.59 118.68 122.72 3kh0 s LEU 806 Ca 0.36 -0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 3kh0 s LEU 806 Cb -0.14 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.12 3kh0 s LEU 806 CO 0.19 -0.05 1.57 1.51 -1.32 0.00 0.00 176.35 178.25 3kh0 s ASP 807 N 0.85 6.15 -0.07 3.68 1.47 -1.26 -1.79 116.67 125.69 3kh0 s ASP 807 Ca -0.11 0.99 -0.18 0.00 1.18 0.00 0.00 52.55 54.43 3kh0 s ASP 807 Cb -0.14 -2.53 0.04 0.00 -0.34 0.00 0.00 42.92 39.94 3kh0 s ASP 807 CO 0.00 -1.56 0.43 0.68 0.68 0.00 0.00 175.17 175.40 3kh0 s VAL 808 N 6.05 0.03 -1.29 2.11 -7.23 -0.62 -5.00 120.40 114.45 3kh0 s VAL 808 Ca 0.68 -0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.52 3kh0 s VAL 808 Cb -0.17 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.08 3kh0 s VAL 808 CO 0.33 -0.12 0.58 0.47 -0.31 0.00 0.00 175.10 176.05 3kh0 n ASP 809 N 1.74 -2.52 -3.66 4.85 8.00 -1.26 -2.77 116.55 120.94 3kh0 n ASP 809 Ca -0.18 -1.03 -0.26 0.00 0.71 0.00 0.00 54.79 54.02 3kh0 n ASP 809 Cb 0.56 -3.07 0.02 0.00 -0.02 0.00 0.00 41.12 38.61 3kh0 n ASP 809 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kh0 n ASN 810 N -2.80 -5.47 0.00 -2.24 4.13 -1.26 -4.91 115.26 102.71 3kh0 n ASN 810 Ca -0.21 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.17 3kh0 n ASN 810 Cb 0.64 -2.97 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 3kh0 n ASN 810 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kh0 n GLY 811 N -1.74 -1.19 2.82 7.41 0.00 -1.11 -5.12 105.19 106.26 3kh0 n GLY 811 Ca -0.15 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 3kh0 n GLY 811 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kh0 s ASN 812 N -4.00 2.47 -0.18 1.61 0.01 -1.26 -1.59 114.94 112.00 3kh0 s ASN 812 Ca 0.00 -0.52 -0.17 0.00 -0.71 0.00 0.00 52.86 51.45 3kh0 s ASN 812 Cb 0.00 -0.70 -0.04 0.00 0.41 0.00 0.00 41.25 40.92 3kh0 s ASN 812 CO 0.00 -0.21 0.47 -0.32 -1.51 0.00 0.00 177.10 175.53 3kh0 s MET 813 N 1.79 4.22 -0.07 -0.60 -2.45 -0.74 -4.90 119.30 116.54 3kh0 s MET 813 Ca 0.02 0.35 -0.04 0.00 -1.25 0.00 0.00 55.69 54.76 3kh0 s MET 813 Cb -0.15 -3.53 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 3kh0 s MET 813 CO -0.07 -0.05 0.13 0.71 1.05 0.00 0.00 175.02 176.79 3kh0 s TYR 814 N 1.31 3.49 0.00 4.11 2.02 -1.26 -1.76 117.35 125.27 3kh0 s TYR 814 Ca 0.23 0.40 0.04 0.00 -0.37 0.00 0.00 57.07 57.37 3kh0 s TYR 814 Cb -0.15 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3kh0 s TYR 814 CO 0.09 0.66 -0.13 0.15 -1.57 0.00 0.00 175.55 174.75 3kh0 s LYS 815 N -1.33 1.04 0.03 -0.62 -0.14 -0.50 -4.93 119.74 113.28 3kh0 s LYS 815 Ca 0.19 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 53.96 3kh0 s LYS 815 Cb -0.12 -1.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.97 3kh0 s LYS 815 CO 0.09 0.27 0.92 -1.12 -0.76 0.00 0.00 175.35 174.75 3kh0 s SER 816 N -0.54 7.35 -0.04 2.83 0.01 -1.26 -0.41 113.70 121.64 3kh0 s SER 816 Ca 0.04 1.62 0.03 0.00 1.31 0.00 0.00 55.95 58.95 3kh0 s SER 816 Cb -0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3kh0 s SER 816 CO -0.00 -0.16 -0.13 -0.63 0.41 0.00 0.00 173.24 172.73 3kh0 s ILE 817 N 0.59 1.11 -0.13 1.44 -1.09 0.11 -4.95 121.20 118.29 3kh0 s ILE 817 Ca 0.48 -0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 3kh0 s ILE 817 Cb -0.21 -0.98 -0.01 0.00 -1.58 0.00 0.00 42.46 39.68 3kh0 s ILE 817 CO 0.27 0.33 1.08 -0.22 -1.23 0.00 0.00 174.94 175.17 3kh0 s LEU 818 N 0.21 4.21 -0.29 2.97 2.96 -1.26 -0.64 118.68 126.84 3kh0 s LEU 818 Ca -0.05 1.57 -0.02 0.00 -0.22 0.00 0.00 54.13 55.41 3kh0 s LEU 818 Cb -0.11 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.07 3kh0 s LEU 818 CO 0.02 -0.56 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.79 3kh0 s VAL 819 N 2.46 3.05 0.55 1.68 1.01 0.69 -4.91 120.40 124.92 3kh0 s VAL 819 Ca 0.50 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3kh0 s VAL 819 Cb -0.19 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3kh0 s VAL 819 CO 0.16 -0.02 0.95 0.42 0.00 0.00 0.00 175.10 176.61 3kh0 s THR 820 N 1.29 4.71 0.65 3.92 -4.23 -1.26 -0.82 115.64 119.91 3kh0 s THR 820 Ca -0.03 0.81 0.40 0.00 -1.18 0.00 0.00 61.69 61.69 3kh0 s THR 820 Cb -0.19 -3.82 0.41 0.00 1.34 0.00 0.00 72.50 70.24 3kh0 s THR 820 CO -0.02 -0.92 2.28 0.77 -0.54 0.00 0.00 174.62 176.19 3kh0 h SER 821 N 0.23 0.00 0.00 3.99 4.64 -1.56 -2.40 113.55 118.46 3kh0 h SER 821 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kh0 h SER 821 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kh0 h SER 821 CO 0.62 0.00 -0.58 0.00 -0.87 0.00 0.00 176.83 176.00 3kh0 n GLN 822 N -3.19 0.93 -2.28 4.77 6.02 -1.26 -4.74 117.38 117.62 3kh0 n GLN 822 Ca -0.03 -0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 55.78 3kh0 n GLN 822 Cb 0.13 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 3kh0 n GLN 822 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kh0 s ASP 823 N -2.60 6.94 0.29 1.08 1.01 -0.90 -4.97 116.67 117.52 3kh0 s ASP 823 Ca 0.16 2.19 0.04 0.00 0.71 0.00 0.00 52.55 55.65 3kh0 s ASP 823 Cb 0.18 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 3kh0 s ASP 823 CO 0.64 -0.57 0.44 -0.54 0.21 0.00 0.00 175.17 175.34 3kh0 s LYS 824 N 1.08 3.38 0.29 8.23 1.02 -1.26 -1.23 119.74 131.25 3kh0 s LYS 824 Ca 0.62 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.91 3kh0 s LYS 824 Cb -0.34 -2.81 0.63 0.00 -0.52 0.00 0.00 37.83 34.80 3kh0 s LYS 824 CO 0.30 0.27 1.57 0.00 -0.92 0.00 0.00 175.35 176.57 3kh0 h ALA 825 N 0.99 0.97 -0.55 5.17 0.00 -1.43 -2.45 119.26 121.96 3kh0 h ALA 825 Ca -0.50 0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kh0 h ALA 825 Cb 1.23 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 3kh0 h ALA 825 CO 0.60 -0.50 0.33 -1.35 0.00 0.00 0.00 179.25 178.32 3kh0 h PRO 826 N 0.01 0.62 -0.88 0.00 0.11 -1.89 0.14 132.00 130.11 3kh0 h PRO 826 Ca 0.55 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.61 3kh0 h PRO 826 Cb 1.03 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 3kh0 h PRO 826 CO -0.94 0.41 0.52 0.00 -0.21 0.00 0.00 178.00 177.79 3kh0 h ALA 827 N 1.25 1.13 -0.13 -0.75 0.00 -1.84 -0.91 119.26 118.00 3kh0 h ALA 827 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kh0 h ALA 827 Cb 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3kh0 h ALA 827 CO -0.11 0.60 -0.08 0.28 0.00 0.00 0.00 179.25 179.94 3kh0 h VAL 828 N 1.22 1.33 -0.81 0.00 2.07 -1.34 -2.91 116.25 115.81 3kh0 h VAL 828 Ca 0.32 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3kh0 h VAL 828 Cb -0.03 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3kh0 h VAL 828 CO -0.06 0.33 0.48 0.40 0.02 0.00 0.00 177.57 178.75 3kh0 h ILE 829 N -0.07 0.98 -0.70 4.57 2.04 -0.54 -1.48 117.51 122.32 3kh0 h ILE 829 Ca 0.03 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3kh0 h ILE 829 Cb 0.56 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3kh0 h ILE 829 CO 0.02 0.16 0.34 0.03 0.00 0.00 0.00 178.15 178.70 3kh0 h ARG 830 N 0.86 0.99 -0.25 2.37 3.08 -1.14 -0.43 114.38 119.85 3kh0 h ARG 830 Ca 0.37 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 3kh0 h ARG 830 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3kh0 h ARG 830 CO -0.20 0.76 -0.10 0.87 -1.07 0.00 0.00 179.97 180.23 3kh0 h LYS 831 N 0.99 0.52 -0.50 0.04 1.57 -1.21 -2.02 116.57 115.96 3kh0 h LYS 831 Ca 0.24 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kh0 h LYS 831 Cb 0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3kh0 h LYS 831 CO -0.03 0.76 0.32 0.00 -0.57 0.00 0.00 179.45 179.93 3kh0 h ALA 832 N 0.74 0.64 -0.67 3.86 0.00 -0.89 -2.26 119.26 120.68 3kh0 h ALA 832 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kh0 h ALA 832 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kh0 h ALA 832 CO 0.03 0.10 0.41 0.52 0.00 0.00 0.00 179.25 180.32 3kh0 h MET 833 N 0.68 0.91 -0.24 0.00 2.86 -1.09 -0.55 114.93 117.50 3kh0 h MET 833 Ca 0.18 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3kh0 h MET 833 Cb -0.05 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 3kh0 h MET 833 CO -0.04 0.64 0.07 -0.44 1.06 0.00 0.00 176.91 178.20 3kh0 h ASP 834 N 0.91 0.06 0.25 1.22 3.32 -1.15 0.17 116.42 121.21 3kh0 h ASP 834 Ca 0.24 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3kh0 h ASP 834 Cb -0.04 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kh0 h ASP 834 CO -0.05 0.07 -0.38 0.11 -1.72 0.00 0.00 179.24 177.27 3kh0 h LYS 835 N 0.17 0.18 -0.36 3.56 1.57 -0.92 -2.61 116.57 118.15 3kh0 h LYS 835 Ca 0.11 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kh0 h LYS 835 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kh0 h LYS 835 CO -0.12 0.53 0.00 0.72 -0.57 0.00 0.00 179.45 180.01 3kh0 n HIS 836 N -4.06 0.48 -3.74 -1.35 8.25 -0.26 -4.96 115.22 109.59 3kh0 n HIS 836 Ca -0.01 -0.24 -0.25 0.00 -0.26 0.00 0.00 57.72 56.95 3kh0 n HIS 836 Cb 0.44 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.60 3kh0 n HIS 836 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3kh0 n ASN 837 N 0.63 -3.94 -2.11 0.41 3.02 -0.53 -4.93 115.26 107.81 3kh0 n ASN 837 Ca 0.14 -0.72 -0.27 0.00 -0.03 0.00 0.00 54.58 53.70 3kh0 n ASN 837 Cb 0.34 -4.33 0.10 0.00 -0.61 0.00 0.00 39.78 35.28 3kh0 n ASN 837 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kh0 n LEU 838 N -4.60 6.59 -0.20 3.41 4.77 0.49 -4.78 117.00 122.68 3kh0 n LEU 838 Ca -0.09 -4.18 0.15 0.00 -0.03 0.00 0.00 56.01 51.86 3kh0 n LEU 838 Cb 0.59 -0.80 0.47 0.00 -2.33 0.00 0.00 43.42 41.36 3kh0 n LEU 838 CO 0.70 1.48 1.21 -0.33 -1.33 0.00 0.00 177.39 179.12 3kh0 h GLU 839 N 1.72 0.47 0.00 3.23 4.39 -1.90 -0.02 114.58 122.47 3kh0 h GLU 839 Ca 0.52 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3kh0 h GLU 839 Cb 1.43 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3kh0 h GLU 839 CO 1.21 0.31 0.00 -0.85 -1.16 0.00 0.00 179.01 178.52 3kh0 n GLU 840 N -4.50 0.96 -3.70 2.33 -0.00 -1.26 -4.85 120.64 109.62 3kh0 n GLU 840 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 57.16 57.10 3kh0 n GLU 840 Cb 0.53 -1.44 -0.03 0.00 -0.00 0.00 0.00 31.44 30.49 3kh0 n GLU 840 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3kh0 s GLU 841 N -2.00 2.63 0.03 3.44 2.02 -0.02 -5.14 118.70 119.66 3kh0 s GLU 841 Ca 0.41 -1.41 0.05 0.00 0.02 0.00 0.00 54.97 54.04 3kh0 s GLU 841 Cb 0.19 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 3kh0 s GLU 841 CO 0.31 -0.04 -0.12 -1.21 0.02 0.00 0.00 175.26 174.23 3kh0 s GLU 842 N -4.05 2.31 0.51 1.61 0.41 -1.26 -5.03 118.70 113.19 3kh0 s GLU 842 Ca 0.44 -0.86 0.27 0.00 -0.41 0.00 0.00 54.97 54.41 3kh0 s GLU 842 Cb -0.05 -2.35 1.35 0.00 -1.78 0.00 0.00 34.13 31.30 3kh0 s GLU 842 CO 0.27 0.57 2.03 -1.00 -0.49 0.00 0.00 175.26 176.63 3kh0 h PRO 843 N 4.41 0.00 0.00 0.39 0.13 -1.94 -2.69 132.00 132.30 3kh0 h PRO 843 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3kh0 h PRO 843 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kh0 h PRO 843 CO 0.51 0.14 -0.04 0.93 -0.23 0.00 0.00 178.00 179.31 3kh0 h GLU 844 N 0.00 0.00 -0.01 0.86 3.07 -1.97 -2.64 114.58 113.89 3kh0 h GLU 844 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kh0 h GLU 844 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3kh0 h GLU 844 CO 0.02 0.04 -0.12 -0.25 -1.40 0.00 0.00 179.01 177.31 3kh0 n ASP 845 N -3.34 1.10 -4.43 1.42 8.00 -1.01 -4.93 116.55 113.36 3kh0 n ASP 845 Ca -0.02 -1.11 -0.22 0.00 0.71 0.00 0.00 54.79 54.15 3kh0 n ASP 845 Cb 0.19 0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 3kh0 n ASP 845 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kh0 s TYR 846 N -2.26 2.01 0.04 1.24 2.02 -1.00 -0.47 117.35 118.94 3kh0 s TYR 846 Ca 0.32 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3kh0 s TYR 846 Cb 0.20 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 3kh0 s TYR 846 CO 0.43 0.40 0.06 -1.83 -1.57 0.00 0.00 175.55 173.04 3kh0 s GLU 847 N -3.66 0.57 -0.14 -0.62 -1.05 0.03 -4.76 118.70 109.07 3kh0 s GLU 847 Ca 0.28 -0.85 -0.06 0.00 -0.15 0.00 0.00 54.97 54.20 3kh0 s GLU 847 Cb 0.01 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 3kh0 s GLU 847 CO 0.12 -0.13 0.06 -0.51 0.95 0.00 0.00 175.26 175.74 3kh0 s LEU 848 N -2.26 3.84 -0.09 1.83 1.43 -1.26 -1.34 118.68 120.82 3kh0 s LEU 848 Ca -0.03 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3kh0 s LEU 848 Cb 0.00 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3kh0 s LEU 848 CO -0.06 0.28 -0.06 -0.76 0.23 0.00 0.00 176.35 175.98 3kh0 s LEU 849 N -0.24 1.13 0.06 1.79 1.02 -0.76 -1.10 118.68 120.57 3kh0 s LEU 849 Ca 0.08 -0.24 -0.30 0.00 0.02 0.00 0.00 54.13 53.68 3kh0 s LEU 849 Cb -0.12 -0.72 -0.05 0.00 0.02 0.00 0.00 46.19 45.31 3kh0 s LEU 849 CO 0.02 -0.11 1.10 -1.58 0.02 0.00 0.00 176.35 175.80 3kh0 s GLN 850 N 1.57 4.51 -0.66 1.70 0.74 0.12 -0.64 119.66 127.00 3kh0 s GLN 850 Ca 0.01 1.63 -0.24 0.00 0.05 0.00 0.00 55.36 56.82 3kh0 s GLN 850 Cb -0.13 -3.38 0.06 0.00 1.10 0.00 0.00 33.01 30.66 3kh0 s GLN 850 CO -0.06 -0.13 1.01 0.42 -0.55 0.00 0.00 175.29 175.99 3kh0 s ILE 851 N 0.84 4.23 0.11 -2.34 1.01 0.90 -0.63 121.20 125.33 3kh0 s ILE 851 Ca 0.55 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 3kh0 s ILE 851 Cb -0.26 -4.70 -0.19 0.00 0.01 0.00 0.00 42.46 37.31 3kh0 s ILE 851 CO 0.30 -1.47 1.28 -0.07 0.00 0.00 0.00 174.94 174.97 3kh0 h LEU 852 N 11.58 0.67 0.00 2.97 3.38 -1.51 -3.42 115.31 128.98 3kh0 h LEU 852 Ca -0.28 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 3kh0 h LEU 852 Cb 1.07 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.62 3kh0 h LEU 852 CO 1.18 1.32 0.29 -1.54 0.09 0.00 0.00 178.44 179.78 3kh0 n SER 853 N -3.79 -2.28 0.27 -0.43 3.41 -0.94 -4.75 113.62 105.11 3kh0 n SER 853 Ca -0.08 -2.56 0.14 0.00 -0.26 0.00 0.00 58.87 56.11 3kh0 n SER 853 Cb 0.84 3.79 0.85 0.00 -0.26 0.00 0.00 64.21 69.43 3kh0 n SER 853 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3kh0 h ASP 854 N 1.98 0.00 0.00 4.04 3.32 -2.03 -3.01 116.42 120.72 3kh0 h ASP 854 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3kh0 h ASP 854 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3kh0 h ASP 854 CO 0.42 0.00 -0.00 -0.90 -1.72 0.00 0.00 179.24 177.04 3kh0 n ASP 855 N -3.97 1.69 -4.03 6.45 3.85 -1.26 -5.03 116.55 114.24 3kh0 n ASP 855 Ca -0.02 -1.89 -0.24 0.00 -0.71 0.00 0.00 54.79 51.93 3kh0 n ASP 855 Cb 0.13 -0.02 -0.16 0.00 -1.35 0.00 0.00 41.12 39.71 3kh0 n ASP 855 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3kh0 s ARG 856 N -0.92 1.59 0.01 0.11 0.52 -1.14 -5.11 118.95 114.02 3kh0 s ARG 856 Ca 0.01 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 3kh0 s ARG 856 Cb 0.01 -1.34 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 3kh0 s ARG 856 CO 0.00 0.06 -0.06 0.15 0.02 0.00 0.00 175.30 175.48 3kh0 s LYS 857 N 0.52 0.43 -0.28 3.54 1.02 -1.26 -1.35 119.74 122.37 3kh0 s LYS 857 Ca -0.12 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 3kh0 s LYS 857 Cb -0.14 -0.32 0.03 0.00 -0.52 0.00 0.00 37.83 36.88 3kh0 s LYS 857 CO 0.03 0.07 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.36 3kh0 s LEU 858 N -0.73 3.58 -0.06 3.17 2.96 0.20 -4.93 118.68 122.87 3kh0 s LEU 858 Ca -0.03 -0.95 -0.30 0.00 -0.22 0.00 0.00 54.13 52.63 3kh0 s LEU 858 Cb -0.05 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3kh0 s LEU 858 CO 0.00 -0.19 1.20 -0.75 -1.32 0.00 0.00 176.35 175.29 3kh0 s LYS 859 N 1.35 4.35 -0.30 1.98 2.20 -1.26 0.15 119.74 128.21 3kh0 s LYS 859 Ca -0.01 1.66 -0.24 0.00 -0.36 0.00 0.00 55.97 57.03 3kh0 s LYS 859 Cb -0.18 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3kh0 s LYS 859 CO -0.02 -0.45 0.80 0.42 -0.36 0.00 0.00 175.35 175.74 3kh0 s ILE 860 N 2.24 4.79 0.46 5.43 -1.09 -0.26 -4.96 121.20 127.82 3kh0 s ILE 860 Ca 0.56 1.24 -0.23 0.00 -2.23 0.00 0.00 60.65 59.98 3kh0 s ILE 860 Cb -0.24 -4.15 -0.09 0.00 -1.58 0.00 0.00 42.46 36.39 3kh0 s ILE 860 CO 0.22 -0.24 1.03 -2.65 -1.23 0.00 0.00 174.94 172.07 3kh0 n PRO 861 N 6.20 1.33 -0.32 2.79 -0.02 -1.26 -4.54 135.00 139.17 3kh0 n PRO 861 Ca 0.04 0.48 0.28 0.00 -2.02 0.00 0.00 63.50 62.28 3kh0 n PRO 861 Cb 0.48 -2.11 0.52 0.00 -0.02 0.00 0.00 33.50 32.37 3kh0 n PRO 861 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kh0 h GLU 862 N 1.39 0.06 -0.46 -0.52 9.09 -1.97 -1.79 114.58 120.37 3kh0 h GLU 862 Ca -0.46 -0.00 -0.34 0.00 0.05 0.00 0.00 59.36 58.61 3kh0 h GLU 862 Cb 1.34 -0.01 -0.33 0.00 -1.65 0.00 0.00 28.75 28.09 3kh0 h GLU 862 CO 0.56 0.04 -0.84 -1.71 0.05 0.00 0.00 179.01 177.11 3kh0 n ASN 863 N -5.26 3.22 -4.87 3.06 5.15 -1.26 -4.05 115.26 111.24 3kh0 n ASN 863 Ca 0.35 -3.27 -0.33 0.00 -0.60 0.00 0.00 54.58 50.73 3kh0 n ASN 863 Cb 1.16 -0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 39.95 3kh0 n ASN 863 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kh0 s ALA 864 N -3.26 3.66 -0.08 5.20 0.00 -0.68 -4.80 121.76 121.81 3kh0 s ALA 864 Ca 0.42 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3kh0 s ALA 864 Cb 0.38 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 3kh0 s ALA 864 CO -0.02 0.55 1.72 1.21 0.00 0.00 0.00 175.76 179.22 3kh0 s ASN 865 N -2.06 6.53 0.07 0.00 3.84 -1.26 -1.33 114.94 120.72 3kh0 s ASN 865 Ca 0.40 2.18 -0.20 0.00 0.21 0.00 0.00 52.86 55.44 3kh0 s ASN 865 Cb -0.13 -2.53 -0.11 0.00 -0.55 0.00 0.00 41.25 37.93 3kh0 s ASN 865 CO 0.20 -1.05 1.54 0.58 -2.79 0.00 0.00 177.10 175.58 3kh0 h VAL 866 N 5.76 1.22 -0.99 -5.21 2.07 -1.47 0.49 116.25 118.13 3kh0 h VAL 866 Ca -0.40 -0.72 0.19 0.00 0.82 0.00 0.00 66.70 66.59 3kh0 h VAL 866 Cb 1.19 1.36 -0.10 0.00 -1.52 0.00 0.00 31.29 32.22 3kh0 h VAL 866 CO 0.96 0.22 0.61 0.15 0.02 0.00 0.00 177.57 179.53 3kh0 h PHE 867 N 0.08 0.95 0.00 1.57 3.57 -1.80 -1.06 116.94 120.26 3kh0 h PHE 867 Ca 0.05 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.34 3kh0 h PHE 867 Cb 0.31 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3kh0 h PHE 867 CO 0.02 0.23 -1.86 0.66 -2.23 0.00 0.00 178.31 175.12 3kh0 n TYR 868 N -4.70 0.57 0.09 0.41 4.01 -1.19 -4.36 117.16 111.99 3kh0 n TYR 868 Ca 0.22 0.20 -0.04 0.00 -0.16 0.00 0.00 57.90 58.12 3kh0 n TYR 868 Cb 0.60 -1.03 -0.05 0.00 -0.31 0.00 0.00 39.34 38.55 3kh0 n TYR 868 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kh0 h ALA 869 N 1.24 0.49 -2.38 -0.72 0.00 -0.60 -3.47 119.26 113.82 3kh0 h ALA 869 Ca -0.30 -0.77 -0.51 0.00 0.00 0.00 0.00 54.91 53.33 3kh0 h ALA 869 Cb 1.85 -0.13 0.13 0.00 0.00 0.00 0.00 17.79 19.63 3kh0 h ALA 869 CO 0.04 1.05 0.34 0.00 0.00 0.00 0.00 179.25 180.68 3kh0 s MET 870 N -2.86 2.38 -0.46 0.00 0.23 -0.43 -4.97 119.30 113.20 3kh0 s MET 870 Ca 0.01 1.29 -0.28 0.00 -1.03 0.00 0.00 55.69 55.69 3kh0 s MET 870 Cb 0.10 -1.90 0.03 0.00 -1.53 0.00 0.00 34.83 31.52 3kh0 s MET 870 CO 0.80 -1.56 1.09 1.21 -2.03 0.00 0.00 175.02 174.52 3kh0 s ASN 871 N -3.00 6.64 0.53 -1.18 3.84 -1.26 -4.92 114.94 115.59 3kh0 s ASN 871 Ca 0.64 0.48 0.29 0.00 0.21 0.00 0.00 52.86 54.48 3kh0 s ASN 871 Cb -0.19 -2.53 1.48 0.00 -0.55 0.00 0.00 41.25 39.45 3kh0 s ASN 871 CO 0.50 -1.17 2.07 0.77 -2.79 0.00 0.00 177.10 176.48 3kh0 h SER 872 N 9.06 0.00 -0.01 -4.21 4.64 -1.93 -3.00 113.55 118.11 3kh0 h SER 872 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3kh0 h SER 872 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3kh0 h SER 872 CO 1.10 0.11 -0.70 0.35 -0.87 0.00 0.00 176.83 176.82 3kh0 n THR 873 N -3.52 0.00 -2.24 2.95 -2.24 -1.26 -4.99 114.28 102.98 3kh0 n THR 873 Ca -0.01 -0.15 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 3kh0 n THR 873 Cb 0.25 1.11 0.11 0.00 -2.10 0.00 0.00 70.33 69.70 3kh0 n THR 873 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kh0 s ALA 874 N -2.60 3.06 0.28 6.98 0.00 -1.13 -5.02 121.76 123.32 3kh0 s ALA 874 Ca 0.12 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 3kh0 s ALA 874 Cb 0.16 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.70 3kh0 s ALA 874 CO 0.67 -1.68 1.55 -0.80 0.00 0.00 0.00 175.76 175.51 3kh0 s ASN 875 N -4.69 6.46 -0.12 0.00 0.01 -1.26 -4.88 114.94 110.45 3kh0 s ASN 875 Ca 0.66 2.86 -0.05 0.00 -0.71 0.00 0.00 52.86 55.61 3kh0 s ASN 875 Cb -0.07 -2.63 -0.17 0.00 0.41 0.00 0.00 41.25 38.79 3kh0 s ASN 875 CO 0.47 -0.85 3.34 -1.22 -1.51 0.00 0.00 177.10 177.33 3kh0 n TYR 876 N 2.29 0.44 -4.80 2.20 0.53 -1.26 -4.68 117.16 111.87 3kh0 n TYR 876 Ca 0.08 -1.61 -0.33 0.00 -1.02 0.00 0.00 57.90 55.02 3kh0 n TYR 876 Cb 0.38 -1.51 -0.15 0.00 -1.03 0.00 0.00 39.34 37.03 3kh0 n TYR 876 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3kh0 s ASP 877 N 1.54 3.68 0.11 7.72 1.11 -1.26 -0.44 116.67 129.13 3kh0 s ASP 877 Ca 0.63 -0.43 0.03 0.00 0.18 0.00 0.00 52.55 52.96 3kh0 s ASP 877 Cb 0.33 -1.55 -0.04 0.00 1.07 0.00 0.00 42.92 42.73 3kh0 s ASP 877 CO -0.06 0.14 -0.09 -0.36 1.18 0.00 0.00 175.17 175.98 3kh0 s PHE 878 N 0.50 1.07 -0.08 4.23 0.40 0.10 -0.07 117.98 124.13 3kh0 s PHE 878 Ca -0.11 -0.75 0.04 0.00 -0.60 0.00 0.00 56.93 55.51 3kh0 s PHE 878 Cb -0.16 -0.58 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 3kh0 s PHE 878 CO 0.05 -0.01 -0.21 0.54 0.70 0.00 0.00 175.22 176.28 3kh0 s VAL 879 N -2.99 2.36 -0.43 -0.44 0.11 0.18 -0.19 120.40 119.00 3kh0 s VAL 879 Ca 0.10 -0.93 -0.19 0.00 -2.93 0.00 0.00 61.98 58.03 3kh0 s VAL 879 Cb 0.01 -1.91 0.02 0.00 -1.53 0.00 0.00 36.38 32.97 3kh0 s VAL 879 CO -0.01 0.56 0.51 -0.22 -3.33 0.00 0.00 175.10 172.61 3kh0 s LEU 880 N 0.04 4.75 -0.03 2.54 2.96 0.24 -1.83 118.68 127.35 3kh0 s LEU 880 Ca -0.08 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.32 3kh0 s LEU 880 Cb -0.15 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 3kh0 s LEU 880 CO 0.05 -0.66 -0.23 -0.75 -1.32 0.00 0.00 176.35 173.44 3kh0 s LYS 881 N 2.38 2.03 0.14 1.98 2.20 -0.45 -4.65 119.74 123.37 3kh0 s LYS 881 Ca 0.16 -0.84 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 3kh0 s LYS 881 Cb -0.16 -1.89 -0.10 0.00 -1.51 0.00 0.00 37.83 34.17 3kh0 s LYS 881 CO 0.15 0.46 1.62 0.15 -0.36 0.00 0.00 175.35 177.38 3kh0 s LYS 882 N -0.43 4.20 0.74 4.03 3.01 -1.26 -0.79 119.74 129.24 3kh0 s LYS 882 Ca 0.06 2.39 -0.13 0.00 -1.01 0.00 0.00 55.97 57.27 3kh0 s LYS 882 Cb -0.10 -3.32 0.04 0.00 -1.01 0.00 0.00 37.83 33.44 3kh0 s LYS 882 CO 0.00 -0.67 1.14 1.03 0.51 0.00 0.00 175.35 177.35 3kh0 s ARG 883 N 1.72 2.25 -0.25 1.68 0.52 0.39 -4.86 118.95 120.40 3kh0 s ARG 883 Ca 0.72 1.45 -0.08 0.00 -0.52 0.00 0.00 55.73 57.31 3kh0 s ARG 883 Cb -0.43 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3kh0 s ARG 883 CO 0.32 -1.69 0.08 0.99 0.02 0.00 0.00 175.30 175.03 3kh0 s THR 884 N -2.43 4.42 0.09 0.02 2.01 -1.26 -4.98 115.64 113.51 3kh0 s THR 884 Ca 0.67 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.55 3kh0 s THR 884 Cb -0.22 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.22 3kh0 s THR 884 CO 0.48 0.33 0.05 0.49 -0.69 0.00 0.00 174.62 175.28 3kh0 n PHE 885 N 4.94 -0.88 -1.91 4.92 3.72 -1.26 -5.23 117.46 121.75 3kh0 n PHE 885 Ca -0.16 -0.39 -0.27 0.00 -0.05 0.00 0.00 57.45 56.58 3kh0 n PHE 885 Cb 0.51 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.94 3kh0 n PHE 885 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kh0 s LYS 890 N -2.34 2.34 -0.23 -1.08 1.02 -1.26 -5.19 119.74 113.00 3kh0 s LYS 890 Ca 0.03 0.17 -0.12 0.00 0.02 0.00 0.00 55.97 56.08 3kh0 s LYS 890 Cb -0.00 -4.84 -0.05 0.00 -0.52 0.00 0.00 37.83 32.42 3kh0 s LYS 890 CO 0.02 -3.46 0.23 0.08 -0.92 0.00 0.00 175.35 171.30 3kh0 s VAL 891 N 10.99 5.32 -2.43 3.17 1.01 -1.26 -5.47 120.40 131.72 3kh0 s VAL 891 Ca 0.76 0.33 0.29 0.00 0.00 0.00 0.00 61.98 63.35 3kh0 s VAL 891 Cb -0.10 -3.56 0.60 0.00 0.00 0.00 0.00 36.38 33.32 3kh0 s VAL 891 CO 0.07 0.32 1.81 2.29 0.00 0.00 0.00 175.10 179.59