#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqs s SER 898 N 0.00 2.85 0.08 1.69 0.15 -1.26 -5.12 113.70 112.10 2qqs s SER 898 Ca 0.00 -0.91 -0.07 0.00 0.70 0.00 0.00 55.95 55.67 2qqs s SER 898 Cb 0.00 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2qqs s SER 898 CO 0.00 -0.03 0.35 -0.63 1.20 0.00 0.00 173.24 174.13 2qqs s ILE 899 N -2.23 5.18 0.16 6.45 1.01 -1.26 -5.11 121.20 125.39 2qqs s ILE 899 Ca 0.19 0.21 0.01 0.00 0.00 0.00 0.00 60.65 61.06 2qqs s ILE 899 Cb -0.05 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2qqs s ILE 899 CO 0.08 0.22 0.01 0.42 0.00 0.00 0.00 174.94 175.66 2qqs s THR 900 N -1.47 0.56 0.38 2.92 -4.23 -1.26 -5.14 115.64 107.40 2qqs s THR 900 Ca 0.34 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.63 2qqs s THR 900 Cb -0.13 -2.05 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 2qqs s THR 900 CO 0.20 -0.52 1.27 0.00 -0.54 0.00 0.00 174.62 175.03 2qqs s ALA 901 N -3.73 3.30 0.00 3.99 0.00 -1.26 -3.16 121.76 120.90 2qqs s ALA 901 Ca 0.22 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2qqs s ALA 901 Cb 0.06 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2qqs s ALA 901 CO 0.02 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2qqs n GLY 902 N 0.72 0.50 3.80 0.00 0.00 0.26 -5.01 105.19 105.45 2qqs n GLY 902 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2qqs n GLY 902 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qqs s GLN 903 N -0.90 4.21 0.14 1.61 0.74 -1.19 -4.80 119.66 119.47 2qqs s GLN 903 Ca 0.00 0.69 -0.29 0.00 0.05 0.00 0.00 55.36 55.81 2qqs s GLN 903 Cb 0.00 -3.27 -0.07 0.00 1.10 0.00 0.00 33.01 30.77 2qqs s GLN 903 CO 0.00 0.55 0.91 0.15 -0.55 0.00 0.00 175.29 176.35 2qqs s LYS 904 N -0.78 4.70 0.27 1.67 -0.14 -1.26 -1.58 119.74 122.62 2qqs s LYS 904 Ca 0.29 1.38 -0.08 0.00 -1.36 0.00 0.00 55.97 56.20 2qqs s LYS 904 Cb -0.19 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.62 2qqs s LYS 904 CO 0.18 0.33 0.43 0.14 -0.76 0.00 0.00 175.35 175.67 2qqs s VAL 905 N -0.39 0.00 -0.15 3.17 -7.23 0.16 -4.96 120.40 110.99 2qqs s VAL 905 Ca 0.43 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2qqs s VAL 905 Cb -0.24 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2qqs s VAL 905 CO 0.29 0.00 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.39 2qqs s ILE 906 N -3.70 1.85 0.04 -0.62 2.07 0.60 -0.02 121.20 121.42 2qqs s ILE 906 Ca 0.27 -0.82 -0.09 0.00 -1.41 0.00 0.00 60.65 58.60 2qqs s ILE 906 Cb 0.00 -1.67 0.00 0.00 0.13 0.00 0.00 42.46 40.92 2qqs s ILE 906 CO 0.13 0.51 0.18 -0.55 -1.91 0.00 0.00 174.94 173.30 2qqs s SER 907 N 1.16 0.05 -0.03 4.50 0.15 -0.88 -0.44 113.70 118.21 2qqs s SER 907 Ca -0.00 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 55.94 2qqs s SER 907 Cb -0.14 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2qqs s SER 907 CO -0.08 -0.56 1.27 -0.75 1.20 0.00 0.00 173.24 174.32 2qqs s LYS 908 N -2.67 4.33 0.49 5.44 2.20 -1.26 -2.35 119.74 125.92 2qqs s LYS 908 Ca -0.04 1.78 -0.12 0.00 -0.36 0.00 0.00 55.97 57.23 2qqs s LYS 908 Cb -0.01 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 2qqs s LYS 908 CO -0.04 -0.48 0.89 -1.58 -0.36 0.00 0.00 175.35 173.77 2qqs s HIS 909 N 2.22 3.50 0.64 4.03 5.65 -0.23 -4.95 115.29 126.15 2qqs s HIS 909 Ca 0.59 1.20 0.34 0.00 0.25 0.00 0.00 55.06 57.43 2qqs s HIS 909 Cb -0.27 -2.59 1.90 0.00 -1.18 0.00 0.00 32.58 30.44 2qqs s HIS 909 CO 0.24 -0.31 2.14 0.87 -0.65 0.00 0.00 174.74 177.03 2qqs h LYS 910 N 0.76 0.00 0.00 2.88 1.57 -1.96 0.18 116.57 119.99 2qqs h LYS 910 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2qqs h LYS 910 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2qqs h LYS 910 CO 0.62 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.77 2qqs n ASN 911 N -3.33 0.41 0.00 0.86 6.94 -1.26 -4.88 115.26 114.01 2qqs n ASN 911 Ca -0.01 0.62 0.00 0.00 -0.02 0.00 0.00 54.58 55.17 2qqs n ASN 911 Cb 0.26 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 2qqs n ASN 911 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qqs n GLY 912 N -0.26 1.02 3.51 4.83 0.00 0.05 -5.10 105.19 109.23 2qqs n GLY 912 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2qqs n GLY 912 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qqs s ARG 913 N -0.76 1.82 -0.03 1.61 0.52 -1.24 -4.92 118.95 115.95 2qqs s ARG 913 Ca 0.00 -1.68 -0.18 0.00 -0.52 0.00 0.00 55.73 53.36 2qqs s ARG 913 Cb 0.00 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 2qqs s ARG 913 CO 0.00 0.34 0.48 -0.06 0.02 0.00 0.00 175.30 176.09 2qqs s PHE 914 N -2.44 3.66 0.04 -0.53 0.40 -1.26 -1.07 117.98 116.78 2qqs s PHE 914 Ca 0.30 1.03 -0.01 0.00 -0.60 0.00 0.00 56.93 57.65 2qqs s PHE 914 Cb -0.05 -2.46 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 2qqs s PHE 914 CO 0.16 0.42 -0.03 0.71 0.70 0.00 0.00 175.22 177.18 2qqs s TYR 915 N -0.35 0.43 0.28 0.36 1.51 -0.99 -4.96 117.35 113.63 2qqs s TYR 915 Ca 0.26 -0.89 -0.30 0.00 -1.01 0.00 0.00 57.07 55.13 2qqs s TYR 915 Cb -0.17 -0.32 -0.13 0.00 -0.11 0.00 0.00 41.96 41.23 2qqs s TYR 915 CO 0.14 -0.32 1.31 1.04 -1.11 0.00 0.00 175.55 176.61 2qqs n GLN 916 N 0.58 1.94 -3.85 -0.62 1.13 -1.26 -2.07 117.38 113.24 2qqs n GLN 916 Ca -0.17 0.69 -0.12 0.00 -1.94 0.00 0.00 57.00 55.45 2qqs n GLN 916 Cb 0.59 -2.28 -0.14 0.00 0.11 0.00 0.00 30.24 28.52 2qqs n GLN 916 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qqs s GLU 918 N 0.12 3.77 -0.28 0.00 2.12 -0.54 0.37 118.70 124.26 2qqs s GLU 918 Ca -0.01 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.61 2qqs s GLU 918 Cb -0.01 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 2qqs s GLU 918 CO -0.00 -0.08 1.78 0.08 -0.54 0.00 0.00 175.26 176.49 2qqs s VAL 919 N 1.35 3.49 -0.22 3.70 1.01 -0.61 -0.33 120.40 128.79 2qqs s VAL 919 Ca 0.05 0.52 0.22 0.00 0.00 0.00 0.00 61.98 62.78 2qqs s VAL 919 Cb -0.15 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2qqs s VAL 919 CO 0.04 -0.34 0.93 1.33 0.00 0.00 0.00 175.10 177.07 2qqs n VAL 920 N 7.09 0.47 -3.58 2.92 0.24 -0.31 0.89 118.33 126.05 2qqs n VAL 920 Ca 0.22 -0.52 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 2qqs n VAL 920 Cb 0.46 -0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 2qqs n VAL 920 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2qqs s ARG 921 N -3.39 0.77 -0.12 7.34 3.52 -1.17 -4.75 118.95 121.15 2qqs s ARG 921 Ca -0.02 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 2qqs s ARG 921 Cb 0.11 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 2qqs s ARG 921 CO 0.81 -0.20 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.40 2qqs s LEU 922 N -0.67 2.35 -0.02 -0.88 2.01 -1.26 -1.50 118.68 118.70 2qqs s LEU 922 Ca -0.04 -0.47 0.02 0.00 0.01 0.00 0.00 54.13 53.66 2qqs s LEU 922 Cb -0.02 -1.50 0.00 0.00 0.01 0.00 0.00 46.19 44.69 2qqs s LEU 922 CO 0.03 0.15 -0.09 0.42 1.01 0.00 0.00 176.35 177.87 2qqs s THR 923 N 0.40 0.77 -0.03 5.49 -4.23 -0.98 -5.02 115.64 112.04 2qqs s THR 923 Ca -0.14 -0.35 -0.26 0.00 -1.18 0.00 0.00 61.69 59.75 2qqs s THR 923 Cb -0.17 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 2qqs s THR 923 CO 0.07 0.24 0.82 0.42 -0.54 0.00 0.00 174.62 175.62 2qqs s THR 924 N 0.18 4.96 -0.07 3.99 -4.23 -1.26 0.38 115.64 119.58 2qqs s THR 924 Ca -0.03 1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 62.16 2qqs s THR 924 Cb -0.08 -4.16 0.04 0.00 1.34 0.00 0.00 72.50 69.64 2qqs s THR 924 CO 0.00 0.22 0.15 -0.70 -0.54 0.00 0.00 174.62 173.75 2qqs s GLU 925 N 0.84 0.09 -0.11 3.99 2.12 0.21 -4.93 118.70 120.91 2qqs s GLU 925 Ca 0.43 0.40 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 2qqs s GLU 925 Cb -0.19 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 33.96 2qqs s GLU 925 CO 0.22 -0.19 0.26 0.99 -0.54 0.00 0.00 175.26 176.01 2qqs s THR 926 N 1.34 5.31 0.35 -1.70 2.01 -1.26 -2.06 115.64 119.63 2qqs s THR 926 Ca -0.07 0.48 0.09 0.00 0.31 0.00 0.00 61.69 62.50 2qqs s THR 926 Cb -0.12 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 2qqs s THR 926 CO -0.06 0.52 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.03 2qqs s PHE 927 N -0.47 2.50 -0.09 4.92 0.40 -0.53 -4.53 117.98 120.18 2qqs s PHE 927 Ca 0.17 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 2qqs s PHE 927 Cb -0.13 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 2qqs s PHE 927 CO 0.06 0.49 -0.24 0.71 0.70 0.00 0.00 175.22 176.94 2qqs s TYR 928 N -2.57 2.50 -0.20 0.36 4.12 0.43 -0.75 117.35 121.23 2qqs s TYR 928 Ca 0.35 -0.96 -0.11 0.00 0.02 0.00 0.00 57.07 56.37 2qqs s TYR 928 Cb 0.02 -1.66 -0.05 0.00 -1.52 0.00 0.00 41.96 38.75 2qqs s TYR 928 CO 0.19 -0.37 0.16 -2.00 0.02 0.00 0.00 175.55 173.54 2qqs s GLU 929 N 0.23 4.19 0.18 -0.62 2.12 1.00 -2.96 118.70 122.85 2qqs s GLU 929 Ca -0.15 -0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.05 2qqs s GLU 929 Cb -0.17 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2qqs s GLU 929 CO 0.08 0.27 -0.10 0.14 -0.54 0.00 0.00 175.26 175.11 2qqs s VAL 930 N 0.45 1.35 -0.58 3.70 -7.23 -0.25 -0.86 120.40 116.97 2qqs s VAL 930 Ca 0.09 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2qqs s VAL 930 Cb -0.12 -2.02 0.15 0.00 0.56 0.00 0.00 36.38 34.95 2qqs s VAL 930 CO -0.01 -0.61 0.36 0.20 -0.31 0.00 0.00 175.10 174.74 2qqs s ASN 931 N -3.25 4.80 0.24 4.85 -0.87 0.26 -2.79 114.94 118.19 2qqs s ASN 931 Ca 0.21 -2.97 -0.31 0.00 -1.57 0.00 0.00 52.86 48.22 2qqs s ASN 931 Cb 0.02 -1.75 -0.14 0.00 -0.02 0.00 0.00 41.25 39.36 2qqs s ASN 931 CO 0.04 -0.29 1.36 0.49 -2.57 0.00 0.00 177.10 176.13 2qqs n PHE 932 N 3.25 2.05 0.14 2.20 3.01 -0.82 -2.87 117.46 124.42 2qqs n PHE 932 Ca 0.07 0.47 0.00 0.00 1.01 0.00 0.00 57.45 59.01 2qqs n PHE 932 Cb 0.35 -2.43 0.03 0.00 -0.01 0.00 0.00 39.48 37.41 2qqs n PHE 932 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2qqs n ASP 933 N 2.03 0.00 -1.29 4.37 8.00 -0.97 -0.40 116.55 128.29 2qqs n ASP 933 Ca 0.11 -0.11 0.08 0.00 0.71 0.00 0.00 54.79 55.58 2qqs n ASP 933 Cb 0.31 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.72 2qqs n ASP 933 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qqs n ASP 934 N -0.69 4.45 0.00 -2.24 3.85 -1.26 -4.95 116.55 115.70 2qqs n ASP 934 Ca 0.01 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.40 2qqs n ASP 934 Cb 0.00 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.23 2qqs n ASP 934 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qqs n GLY 935 N 0.38 0.80 0.00 6.12 0.00 0.46 -5.01 105.19 107.94 2qqs n GLY 935 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2qqs n GLY 935 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qqs n SER 936 N -0.02 0.08 -3.42 1.61 3.41 -1.24 -4.96 113.62 109.08 2qqs n SER 936 Ca 0.00 -0.79 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 2qqs n SER 936 Cb 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2qqs n SER 936 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qqs s PHE 937 N 1.14 0.17 -0.26 7.33 -0.12 -1.26 -1.95 117.98 123.03 2qqs s PHE 937 Ca 0.00 -0.68 -0.21 0.00 -0.05 0.00 0.00 56.93 56.00 2qqs s PHE 937 Cb 0.00 0.59 0.07 0.00 -0.63 0.00 0.00 43.02 43.06 2qqs s PHE 937 CO 0.00 -1.33 0.68 0.45 -0.05 0.00 0.00 175.22 174.97 2qqs s SER 938 N -3.03 -0.79 0.00 1.98 0.15 -1.12 -4.94 113.70 105.95 2qqs s SER 938 Ca 0.17 1.42 0.03 0.00 0.70 0.00 0.00 55.95 58.26 2qqs s SER 938 Cb -0.04 1.38 0.06 0.00 -1.71 0.00 0.00 66.02 65.71 2qqs s SER 938 CO 0.11 -0.24 0.94 -0.90 1.20 0.00 0.00 173.24 174.34 2qqs n ASP 939 N 3.32 1.96 -2.20 5.45 5.68 -1.25 -1.10 116.55 128.41 2qqs n ASP 939 Ca -0.16 -1.76 -0.30 0.00 -0.50 0.00 0.00 54.79 52.06 2qqs n ASP 939 Cb 0.57 -0.04 0.10 0.00 -1.14 0.00 0.00 41.12 40.60 2qqs n ASP 939 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2qqs n ASN 940 N -0.15 6.35 -4.73 -1.12 6.94 -1.26 -4.01 115.26 117.27 2qqs n ASN 940 Ca 0.02 -3.75 -0.36 0.00 -0.02 0.00 0.00 54.58 50.47 2qqs n ASN 940 Cb 0.23 -0.85 -0.07 0.00 -2.36 0.00 0.00 39.78 36.73 2qqs n ASN 940 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qqs s LEU 941 N -3.67 4.24 0.24 -4.53 1.43 -1.15 -4.87 118.68 110.36 2qqs s LEU 941 Ca 0.61 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.84 2qqs s LEU 941 Cb 0.49 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2qqs s LEU 941 CO 0.02 0.13 1.06 -0.31 0.23 0.00 0.00 176.35 177.48 2qqs s TYR 942 N 0.37 3.68 0.52 0.29 4.12 -1.26 0.16 117.35 125.22 2qqs s TYR 942 Ca 0.14 1.72 0.35 0.00 0.02 0.00 0.00 57.07 59.30 2qqs s TYR 942 Cb -0.12 -3.21 1.50 0.00 -1.52 0.00 0.00 41.96 38.60 2qqs s TYR 942 CO 0.02 -0.33 1.76 -1.35 0.02 0.00 0.00 175.55 175.67 2qqs h PRO 943 N 4.31 0.06 0.00 -1.71 0.11 -1.93 0.06 132.00 132.90 2qqs h PRO 943 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2qqs h PRO 943 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qqs h PRO 943 CO 0.69 0.04 -0.03 0.93 -0.21 0.00 0.00 178.00 179.42 2qqs h GLU 944 N 0.07 0.00 0.00 1.05 3.07 -1.94 -2.75 114.58 114.07 2qqs h GLU 944 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 2qqs h GLU 944 Cb 2.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.27 2qqs h GLU 944 CO -0.08 0.03 0.00 -0.25 -1.40 0.00 0.00 179.01 177.31 2qqs n ASP 945 N -3.18 0.00 -4.53 1.42 8.00 0.01 -4.43 116.55 113.83 2qqs n ASP 945 Ca -0.01 0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 2qqs n ASP 945 Cb 0.25 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 40.92 2qqs n ASP 945 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qqs s ILE 946 N -2.78 4.35 -0.88 0.53 -1.09 -1.04 -0.52 121.20 119.78 2qqs s ILE 946 Ca 0.20 0.33 0.23 0.00 -2.23 0.00 0.00 60.65 59.18 2qqs s ILE 946 Cb 0.18 -4.56 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 2qqs s ILE 946 CO 0.46 -1.15 1.16 1.33 -1.23 0.00 0.00 174.94 175.52 2qqs n VAL 947 N 6.24 0.06 0.11 2.92 0.24 0.10 -4.22 118.33 123.77 2qqs n VAL 947 Ca 0.02 -0.08 -0.01 0.00 -2.04 0.00 0.00 64.34 62.23 2qqs n VAL 947 Cb 0.48 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 2qqs n VAL 947 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qqs h SER 948 N 0.00 0.00 -5.16 -1.34 4.64 -1.90 -3.46 113.55 106.33 2qqs h SER 948 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2qqs h SER 948 Cb 0.57 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.52 2qqs h SER 948 CO 0.00 0.70 -0.43 0.00 -0.87 0.00 0.00 176.83 176.23 2qqs s GLN 949 N -2.86 0.79 -0.36 4.77 -2.07 -1.26 -4.99 119.66 113.68 2qqs s GLN 949 Ca 0.03 -0.98 -0.25 0.00 -1.82 0.00 0.00 55.36 52.34 2qqs s GLN 949 Cb 0.09 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2qqs s GLN 949 CO 0.78 -0.23 0.86 0.34 -1.32 0.00 0.00 175.29 175.71 2qqs s ASP 950 N -2.80 6.64 -0.02 12.60 -1.08 -1.26 -4.83 116.67 125.92 2qqs s ASP 950 Ca 0.04 0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 2qqs s ASP 950 Cb 0.05 -2.43 -0.23 0.00 -1.46 0.00 0.00 42.92 38.85 2qqs s ASP 950 CO -0.10 -0.77 0.46 0.00 0.52 0.00 0.00 175.17 175.27 2qqs n LEU 952 N -1.86 0.00 0.00 0.00 0.00 -1.26 -2.24 117.00 111.64 2qqs n LEU 952 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 56.01 56.48 2qqs n LEU 952 Cb 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 43.31 2qqs n LEU 952 CO 0.34 -0.00 -0.48 1.67 0.00 0.00 0.00 177.39 178.92 2qqs n GLN 953 N -1.48 3.19 0.00 1.96 -0.06 -1.26 -4.86 117.38 114.88 2qqs n GLN 953 Ca 0.08 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.09 2qqs n GLN 953 Cb 0.33 -0.98 -0.01 0.00 -4.06 0.00 0.00 30.24 25.52 2qqs n GLN 953 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2qqs n PHE 954 N -2.03 0.00 0.00 3.69 3.01 -1.08 -5.14 117.46 115.92 2qqs n PHE 954 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qqs n PHE 954 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2qqs n PHE 954 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qqs n GLY 955 N 0.78 0.47 3.71 1.37 0.00 -0.95 -5.00 105.19 105.58 2qqs n GLY 955 Ca 0.01 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 2qqs n GLY 955 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qqs s PRO 956 N -1.12 1.89 0.98 1.61 0.04 -1.26 -4.36 135.00 132.76 2qqs s PRO 956 Ca 0.00 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 2qqs s PRO 956 Cb 0.00 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.91 2qqs s PRO 956 CO 0.00 -2.02 1.10 -2.14 0.04 0.00 0.00 177.00 173.98 2qqs s PRO 957 N -4.07 0.55 0.74 0.56 0.02 -1.26 -4.99 135.00 126.55 2qqs s PRO 957 Ca 0.73 1.25 -0.16 0.00 0.02 0.00 0.00 61.00 62.84 2qqs s PRO 957 Cb -0.28 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.55 2qqs s PRO 957 CO 0.48 -2.85 0.84 0.00 -0.33 0.00 0.00 177.00 175.13 2qqs n ALA 958 N -4.36 -0.71 -1.72 -1.55 0.00 -1.26 -4.94 120.51 105.97 2qqs n ALA 958 Ca 0.09 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2qqs n ALA 958 Cb 0.53 -2.04 0.04 0.00 0.00 0.00 0.00 19.45 17.99 2qqs n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qqs s GLU 959 N -3.26 2.85 0.00 0.00 2.12 -1.26 -2.41 118.70 116.74 2qqs s GLU 959 Ca 0.70 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.88 2qqs s GLU 959 Cb -0.33 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.15 2qqs s GLU 959 CO 0.53 -1.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 2qqs n GLY 960 N 0.54 0.05 3.75 -1.50 0.00 0.36 -4.92 105.19 103.46 2qqs n GLY 960 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2qqs n GLY 960 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqs s GLU 961 N -1.47 4.16 0.06 1.61 2.56 -1.01 -4.47 118.70 120.14 2qqs s GLU 961 Ca 0.00 2.51 -0.31 0.00 0.00 0.00 0.00 54.97 57.17 2qqs s GLU 961 Cb 0.00 -3.05 -0.06 0.00 2.00 0.00 0.00 34.13 33.01 2qqs s GLU 961 CO 0.00 -0.59 1.35 0.08 -0.56 0.00 0.00 175.26 175.54 2qqs s VAL 962 N 0.11 3.63 0.02 3.70 1.01 -1.26 0.12 120.40 127.73 2qqs s VAL 962 Ca 0.63 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.73 2qqs s VAL 962 Cb -0.46 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2qqs s VAL 962 CO 0.45 0.05 -0.04 0.68 0.00 0.00 0.00 175.10 176.24 2qqs s VAL 963 N 1.61 0.21 -0.15 2.92 -7.23 -1.17 -4.90 120.40 111.69 2qqs s VAL 963 Ca 0.63 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.79 2qqs s VAL 963 Cb -0.33 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 2qqs s VAL 963 CO 0.28 -0.43 0.25 -1.10 -0.31 0.00 0.00 175.10 173.79 2qqs s GLN 964 N -1.38 4.13 -0.07 4.82 1.11 -1.26 -1.13 119.66 125.88 2qqs s GLN 964 Ca -0.13 0.03 0.01 0.00 0.01 0.00 0.00 55.36 55.27 2qqs s GLN 964 Cb -0.09 -3.38 0.02 0.00 -1.01 0.00 0.00 33.01 28.54 2qqs s GLN 964 CO -0.01 0.34 -0.06 0.54 0.01 0.00 0.00 175.29 176.12 2qqs s VAL 965 N 0.17 0.74 -0.35 1.09 0.11 0.13 -0.72 120.40 121.58 2qqs s VAL 965 Ca 0.15 -0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 2qqs s VAL 965 Cb -0.13 -0.77 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2qqs s VAL 965 CO 0.03 0.29 1.45 -0.60 -3.33 0.00 0.00 175.10 172.94 2qqs s ARG 966 N 1.22 3.68 1.11 1.54 3.52 0.33 0.12 118.95 130.47 2qqs s ARG 966 Ca -0.06 1.17 -0.19 0.00 -0.13 0.00 0.00 55.73 56.53 2qqs s ARG 966 Cb -0.14 -4.00 0.27 0.00 -1.56 0.00 0.00 34.95 29.52 2qqs s ARG 966 CO -0.02 -1.43 1.25 -0.46 -0.81 0.00 0.00 175.30 173.83 2qqs s TRP 967 N 5.24 0.71 -1.30 5.12 -0.00 -0.19 -4.85 118.94 123.67 2qqs s TRP 967 Ca 0.63 0.28 0.25 0.00 -0.00 0.00 0.00 56.10 57.26 2qqs s TRP 967 Cb -0.17 -3.93 1.22 0.00 -0.00 0.00 0.00 33.47 30.59 2qqs s TRP 967 CO 0.30 -3.44 1.84 0.25 -0.00 0.00 0.00 176.95 175.89 2qqs n THR 968 N -4.34 0.22 -0.41 5.86 -2.24 -1.26 -0.69 114.28 111.42 2qqs n THR 968 Ca 0.16 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 2qqs n THR 968 Cb 0.59 -0.63 0.31 0.00 -2.10 0.00 0.00 70.33 68.50 2qqs n THR 968 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qqs n ASP 969 N -1.35 4.52 0.00 3.42 5.75 -1.26 -4.93 116.55 122.71 2qqs n ASP 969 Ca 0.10 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 2qqs n ASP 969 Cb 0.23 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2qqs n ASP 969 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqs n GLY 970 N 0.60 0.00 3.89 6.12 0.00 0.13 -4.97 105.19 110.96 2qqs n GLY 970 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2qqs n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qqs s GLN 971 N -1.69 3.58 -0.26 1.61 -1.52 -1.25 -4.78 119.66 115.34 2qqs s GLN 971 Ca 0.00 -0.10 -0.13 0.00 -1.95 0.00 0.00 55.36 53.19 2qqs s GLN 971 Cb 0.00 -3.05 -0.04 0.00 -0.22 0.00 0.00 33.01 29.70 2qqs s GLN 971 CO 0.00 0.62 0.28 0.08 -0.25 0.00 0.00 175.29 176.02 2qqs s VAL 972 N -1.36 5.25 0.17 1.09 1.01 -1.26 -1.03 120.40 124.27 2qqs s VAL 972 Ca 0.30 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.76 2qqs s VAL 972 Cb -0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2qqs s VAL 972 CO 0.18 0.22 -0.17 -0.31 0.00 0.00 0.00 175.10 175.02 2qqs s TYR 973 N 1.77 2.48 0.18 5.22 1.51 0.12 -4.87 117.35 123.75 2qqs s TYR 973 Ca 0.11 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 2qqs s TYR 973 Cb -0.15 -1.25 -0.08 0.00 -0.11 0.00 0.00 41.96 40.37 2qqs s TYR 973 CO 0.09 0.47 1.04 0.20 -1.11 0.00 0.00 175.55 176.24 2qqs s GLY 974 N -2.58 2.96 0.00 0.71 0.00 -1.26 -0.69 107.32 106.45 2qqs s GLY 974 Ca 0.21 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.66 2qqs s GLY 974 CO 0.12 1.51 0.00 0.00 0.00 0.00 0.00 173.10 174.73 2qqs n ALA 975 N 2.19 0.00 -3.22 3.20 0.00 -0.29 -2.30 120.51 120.10 2qqs n ALA 975 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2qqs n ALA 975 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2qqs n ALA 975 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2qqs s LYS 976 N 1.56 0.40 -0.02 0.00 2.47 -1.14 -3.03 119.74 119.99 2qqs s LYS 976 Ca 0.00 0.76 -0.30 0.00 -1.56 0.00 0.00 55.97 54.88 2qqs s LYS 976 Cb 0.00 0.43 -0.07 0.00 -1.46 0.00 0.00 37.83 36.73 2qqs s LYS 976 CO 0.00 -0.37 1.87 0.12 0.16 0.00 0.00 175.35 177.13 2qqs s PHE 977 N 2.85 1.52 -0.09 4.03 5.36 0.33 -0.57 117.98 131.41 2qqs s PHE 977 Ca 0.08 -0.17 -0.05 0.00 -0.96 0.00 0.00 56.93 55.84 2qqs s PHE 977 Cb -0.12 -4.12 -0.02 0.00 -0.34 0.00 0.00 43.02 38.43 2qqs s PHE 977 CO -0.17 -4.86 -0.09 0.28 -1.46 0.00 0.00 175.22 168.92 2qqs h VAL 978 N 5.73 0.00 -2.78 3.12 2.07 -1.31 1.03 116.25 124.11 2qqs h VAL 978 Ca -0.45 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.47 2qqs h VAL 978 Cb 1.22 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 2qqs h VAL 978 CO 0.95 0.00 0.30 0.00 0.02 0.00 0.00 177.57 178.84 2qqs s ALA 979 N -2.81 -1.60 -0.23 1.67 0.00 -0.72 -4.51 121.76 113.56 2qqs s ALA 979 Ca -0.08 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2qqs s ALA 979 Cb 0.01 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.93 2qqs s ALA 979 CO 0.12 -0.81 -0.14 0.45 0.00 0.00 0.00 175.76 175.38 2qqs s SER 980 N -2.73 3.91 -0.60 0.00 0.15 -1.26 -0.00 113.70 113.17 2qqs s SER 980 Ca 0.04 -1.11 -0.16 0.00 0.70 0.00 0.00 55.95 55.43 2qqs s SER 980 Cb -0.02 -1.48 0.14 0.00 -1.71 0.00 0.00 66.02 62.95 2qqs s SER 980 CO -0.08 -0.13 0.58 -1.00 1.20 0.00 0.00 173.24 173.81 2qqs s HIS 981 N 1.20 3.31 -0.53 3.44 3.76 0.07 -4.94 115.29 121.59 2qqs s HIS 981 Ca -0.04 -1.38 -0.28 0.00 -0.15 0.00 0.00 55.06 53.22 2qqs s HIS 981 Cb -0.17 -3.84 0.01 0.00 1.11 0.00 0.00 32.58 29.69 2qqs s HIS 981 CO -0.08 -1.06 1.44 -2.14 -0.85 0.00 0.00 174.74 172.06 2qqs s PRO 982 N 1.49 3.32 -0.07 8.40 0.02 -1.26 -1.46 135.00 145.44 2qqs s PRO 982 Ca 0.07 0.56 0.01 0.00 0.02 0.00 0.00 61.00 61.67 2qqs s PRO 982 Cb -0.25 -4.12 -0.03 0.00 0.02 0.00 0.00 34.50 30.12 2qqs s PRO 982 CO 0.01 -1.91 -0.09 0.42 -0.33 0.00 0.00 177.00 175.11 2qqs s ILE 983 N 6.10 3.54 -0.23 2.83 1.01 -0.87 -4.94 121.20 128.64 2qqs s ILE 983 Ca 0.55 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 2qqs s ILE 983 Cb -0.12 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 2qqs s ILE 983 CO 0.26 0.59 0.91 -1.58 0.00 0.00 0.00 174.94 175.12 2qqs s GLN 984 N -0.73 4.22 0.19 2.79 2.00 -1.26 0.63 119.66 127.50 2qqs s GLN 984 Ca 0.11 1.10 0.06 0.00 -2.00 0.00 0.00 55.36 54.63 2qqs s GLN 984 Cb -0.11 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 2qqs s GLN 984 CO 0.01 -0.54 0.11 -1.64 -0.50 0.00 0.00 175.29 172.74 2qqs s MET 985 N 2.89 2.77 -0.21 1.67 -1.94 0.16 -4.79 119.30 119.86 2qqs s MET 985 Ca 0.39 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2qqs s MET 985 Cb -0.15 -2.54 0.05 0.00 2.01 0.00 0.00 34.83 34.19 2qqs s MET 985 CO 0.07 0.45 -0.08 0.71 -0.01 0.00 0.00 175.02 176.17 2qqs s TYR 986 N -1.86 2.35 -0.25 -0.03 1.51 0.27 -2.32 117.35 117.02 2qqs s TYR 986 Ca 0.31 -1.60 -0.24 0.00 -1.01 0.00 0.00 57.07 54.53 2qqs s TYR 986 Cb -0.09 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2qqs s TYR 986 CO 0.23 -0.74 0.80 -1.14 -1.11 0.00 0.00 175.55 173.59 2qqs s GLN 987 N 1.42 4.17 0.53 -0.62 0.74 -0.56 -0.18 119.66 125.16 2qqs s GLN 987 Ca -0.02 0.88 0.06 0.00 0.05 0.00 0.00 55.36 56.33 2qqs s GLN 987 Cb -0.17 -3.65 0.03 0.00 1.10 0.00 0.00 33.01 30.33 2qqs s GLN 987 CO -0.07 -0.51 0.40 0.14 -0.55 0.00 0.00 175.29 174.70 2qqs s VAL 988 N 2.80 1.73 -0.10 1.34 -7.23 -0.87 -1.16 120.40 116.90 2qqs s VAL 988 Ca 0.34 -1.49 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2qqs s VAL 988 Cb -0.15 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2qqs s VAL 988 CO 0.07 0.00 0.27 -0.70 -0.31 0.00 0.00 175.10 174.43 2qqs s GLU 989 N -4.26 0.30 0.44 4.82 2.12 0.55 -3.43 118.70 119.24 2qqs s GLU 989 Ca 0.35 0.40 0.08 0.00 0.36 0.00 0.00 54.97 56.16 2qqs s GLU 989 Cb -0.02 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.49 2qqs s GLU 989 CO 0.22 -0.06 0.60 -0.06 -0.54 0.00 0.00 175.26 175.41 2qqs s PHE 990 N 0.34 2.70 0.36 5.30 0.40 -0.62 -1.47 117.98 124.99 2qqs s PHE 990 Ca -0.02 -0.41 0.10 0.00 -0.60 0.00 0.00 56.93 56.00 2qqs s PHE 990 Cb -0.03 -2.38 0.68 0.00 0.51 0.00 0.00 43.02 41.79 2qqs s PHE 990 CO -0.01 -0.50 1.83 1.05 0.70 0.00 0.00 175.22 178.29 2qqs h GLU 991 N 0.58 0.14 0.00 0.44 4.11 -1.89 0.29 114.58 118.25 2qqs h GLU 991 Ca -0.39 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2qqs h GLU 991 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qqs h GLU 991 CO 0.45 0.43 0.00 -0.40 0.07 0.00 0.00 179.01 179.56 2qqs n ASP 992 N -4.14 0.00 0.00 3.06 5.75 -1.26 -4.87 116.55 115.09 2qqs n ASP 992 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 2qqs n ASP 992 Cb 0.38 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2qqs n ASP 992 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqs n GLY 993 N 0.36 0.70 3.70 6.12 0.00 0.10 -5.07 105.19 111.10 2qqs n GLY 993 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2qqs n GLY 993 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qqs s SER 994 N -2.61 2.88 -0.22 1.61 1.04 -1.24 -4.75 113.70 110.41 2qqs s SER 994 Ca 0.00 1.18 -0.19 0.00 0.48 0.00 0.00 55.95 57.43 2qqs s SER 994 Cb 0.00 -1.84 0.06 0.00 0.10 0.00 0.00 66.02 64.34 2qqs s SER 994 CO 0.00 -2.97 0.58 -1.10 0.98 0.00 0.00 173.24 170.72 2qqs s GLN 995 N -5.02 0.65 -0.03 4.02 -0.21 -1.26 -1.59 119.66 116.22 2qqs s GLN 995 Ca 0.65 0.85 -0.03 0.00 0.02 0.00 0.00 55.36 56.85 2qqs s GLN 995 Cb -0.18 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.12 2qqs s GLN 995 CO 0.57 -0.09 0.09 -0.51 -2.12 0.00 0.00 175.29 173.22 2qqs s LEU 996 N 0.54 1.52 0.02 2.90 1.43 -1.22 -4.99 118.68 118.88 2qqs s LEU 996 Ca -0.02 0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2qqs s LEU 996 Cb -0.05 0.27 -0.06 0.00 0.03 0.00 0.00 46.19 46.39 2qqs s LEU 996 CO -0.03 -0.05 0.65 -0.69 0.23 0.00 0.00 176.35 176.46 2qqs s VAL 997 N 0.25 4.83 0.17 -1.59 1.01 -1.26 -2.05 120.40 121.76 2qqs s VAL 997 Ca -0.02 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 2qqs s VAL 997 Cb -0.03 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2qqs s VAL 997 CO -0.01 0.41 0.34 0.54 0.00 0.00 0.00 175.10 176.38 2qqs s VAL 998 N -0.23 0.06 0.00 2.92 0.11 0.75 -4.90 120.40 119.12 2qqs s VAL 998 Ca 0.33 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 2qqs s VAL 998 Cb -0.19 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 2qqs s VAL 998 CO 0.19 -0.27 0.00 0.29 -3.33 0.00 0.00 175.10 171.98 2qqs n LYS 999 N -0.24 0.00 0.00 1.54 5.02 -1.26 0.94 118.16 124.16 2qqs n LYS 999 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2qqs n LYS 999 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 2qqs n LYS 999 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qqs n ARG 1000N 0.00 0.00 -1.30 1.97 1.74 -1.26 -3.90 116.66 113.91 2qqs n ARG 1000Ca 0.00 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.81 2qqs n ARG 1000Cb 0.00 -1.27 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 2qqs n ARG 1000CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2qqs n ASP 1001N -2.68 -4.25 0.00 0.55 8.00 -1.26 -4.73 116.55 112.18 2qqs n ASP 1001Ca 0.00 0.25 0.08 0.00 0.71 0.00 0.00 54.79 55.83 2qqs n ASP 1001Cb 0.00 -2.65 0.40 0.00 -0.02 0.00 0.00 41.12 38.85 2qqs n ASP 1001CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qqs n ASP 1002N 0.33 0.00 -4.11 -2.24 8.00 -1.25 -4.19 116.55 113.08 2qqs n ASP 1002Ca -0.10 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.02 2qqs n ASP 1002Cb 0.34 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 2qqs n ASP 1002CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qqs s VAL 1003N -2.50 3.91 0.68 2.53 -7.23 -1.26 -4.22 120.40 112.30 2qqs s VAL 1003Ca 0.16 -3.11 -0.16 0.00 -1.81 0.00 0.00 61.98 57.06 2qqs s VAL 1003Cb 0.10 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.54 2qqs s VAL 1003CO 0.23 -0.92 1.17 -0.31 -0.31 0.00 0.00 175.10 174.96 2qqs s TYR 1004N -0.29 2.31 0.00 2.82 1.51 0.41 -4.77 117.35 119.33 2qqs s TYR 1004Ca 0.19 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.82 2qqs s TYR 1004Cb -0.18 -3.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.30 2qqs s TYR 1004CO -0.05 -2.21 0.27 -2.37 -1.11 0.00 0.00 175.55 170.08