#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb n PRO 892 N 0.00 0.21 -1.42 1.61 -0.04 -1.26 -4.87 135.00 129.23 2rqb n PRO 892 Ca 0.00 0.30 -0.48 0.00 -0.04 0.00 0.00 63.50 63.28 2rqb n PRO 892 Cb 0.00 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2rqb n PRO 892 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2rqb n LEU 893 N -2.19 -0.94 0.00 1.53 4.77 -1.26 -4.86 117.00 114.04 2rqb n LEU 893 Ca 0.04 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2rqb n LEU 893 Cb 0.32 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2rqb n LEU 893 CO 0.25 -2.82 0.00 0.61 -1.33 0.00 0.00 177.39 174.10 2rqb n GLY 894 N 1.92 3.95 0.42 -0.72 0.00 -1.26 -4.92 105.19 104.57 2rqb n GLY 894 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqb n SER 895 N 0.00 0.00 -0.07 1.61 2.88 -1.26 -5.01 113.62 111.77 2rqb n SER 895 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2rqb n SER 895 Cb 0.00 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 2rqb n SER 895 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2rqb n TYR 896 N -1.69 0.16 -3.31 0.66 4.01 -1.26 -5.01 117.16 110.71 2rqb n TYR 896 Ca 0.00 0.07 -0.18 0.00 -0.16 0.00 0.00 57.90 57.63 2rqb n TYR 896 Cb 0.00 -0.46 0.06 0.00 -0.31 0.00 0.00 39.34 38.63 2rqb n TYR 896 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2rqb n LYS 897 N -4.09 -5.97 -0.07 -0.72 4.81 -1.26 -4.90 118.16 105.95 2rqb n LYS 897 Ca -0.10 0.63 0.10 0.00 -0.87 0.00 0.00 58.31 58.06 2rqb n LYS 897 Cb 0.38 -5.05 0.14 0.00 0.02 0.00 0.00 35.03 30.51 2rqb n LYS 897 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2rqb n ASN 898 N -1.94 2.34 -4.62 3.14 2.85 -1.26 -4.73 115.26 111.05 2rqb n ASN 898 Ca -0.00 -3.06 -0.36 0.00 -0.11 0.00 0.00 54.58 51.05 2rqb n ASN 898 Cb 0.55 -0.42 -0.10 0.00 1.24 0.00 0.00 39.78 41.05 2rqb n ASN 898 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2rqb s ASN 899 N -2.82 5.79 0.00 1.20 0.01 -1.26 -3.22 114.94 114.64 2rqb s ASN 899 Ca 0.31 0.05 0.23 0.00 -0.71 0.00 0.00 52.86 52.74 2rqb s ASN 899 Cb 0.27 -2.03 1.39 0.00 0.41 0.00 0.00 41.25 41.30 2rqb s ASN 899 CO 0.03 0.09 1.77 -0.81 -1.51 0.00 0.00 177.10 176.67 2rqb n PRO 900 N 4.13 0.75 0.14 -0.60 -0.04 -1.26 -2.29 135.00 135.83 2rqb n PRO 900 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2rqb n PRO 900 Cb 0.52 -1.48 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 2rqb n PRO 900 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rqb h SER 901 N 0.00 0.00 0.60 3.54 0.87 -1.92 -1.92 113.55 114.72 2rqb h SER 901 Ca 0.00 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2rqb h SER 901 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2rqb h SER 901 CO 0.00 0.00 -1.49 0.18 -0.53 0.00 0.00 176.83 174.99 2rqb n LEU 902 N -2.79 0.64 -4.90 2.23 4.77 -0.97 -4.90 117.00 111.09 2rqb n LEU 902 Ca 0.01 0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.97 2rqb n LEU 902 Cb 0.54 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2rqb n LEU 902 CO 0.38 0.07 -0.16 0.27 -1.33 0.00 0.00 177.39 176.62 2rqb s ILE 903 N -3.10 5.17 0.06 -0.08 -4.36 -1.22 -0.60 121.20 117.07 2rqb s ILE 903 Ca -0.04 -0.58 -0.03 0.00 -0.26 0.00 0.00 60.65 59.75 2rqb s ILE 903 Cb 0.09 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.21 2rqb s ILE 903 CO 0.82 0.06 0.01 -0.89 0.24 0.00 0.00 174.94 175.19 2rqb s THR 904 N -1.57 0.20 -0.12 8.37 2.01 -0.98 -3.26 115.64 120.29 2rqb s THR 904 Ca 0.34 -1.66 -0.06 0.00 0.31 0.00 0.00 61.69 60.61 2rqb s THR 904 Cb -0.12 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2rqb s THR 904 CO 0.27 -0.92 0.12 -0.36 -0.69 0.00 0.00 174.62 173.04 2rqb s PHE 905 N -3.84 3.53 0.34 4.92 0.08 0.64 -2.18 117.98 121.48 2rqb s PHE 905 Ca 0.06 0.47 0.04 0.00 0.12 0.00 0.00 56.93 57.62 2rqb s PHE 905 Cb 0.07 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2rqb s PHE 905 CO -0.10 0.68 0.16 -0.51 -0.10 0.00 0.00 175.22 175.35 2rqb s LEU 906 N -0.95 1.82 -0.22 -0.37 1.43 -0.60 -1.67 118.68 118.13 2rqb s LEU 906 Ca 0.14 -1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 51.44 2rqb s LEU 906 Cb -0.12 0.10 -0.03 0.00 0.03 0.00 0.00 46.19 46.18 2rqb s LEU 906 CO 0.04 -0.91 0.55 0.00 0.23 0.00 0.00 176.35 176.26 2rqb h LYS 908 N 7.61 -0.72 -0.59 0.00 3.64 -0.88 0.43 116.57 126.05 2rqb h LYS 908 Ca -0.32 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.20 2rqb h LYS 908 Cb 1.15 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.03 2rqb h LYS 908 CO 0.75 -0.48 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.06 2rqb h ASN 909 N -0.75 -1.63 0.00 4.20 4.21 -1.94 -3.40 115.58 116.27 2rqb h ASN 909 Ca -0.03 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.74 2rqb h ASN 909 Cb 0.70 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 38.63 2rqb h ASN 909 CO -0.16 -0.34 0.00 0.00 -1.29 0.00 0.00 177.43 175.64 2rqb n SER 911 N 0.00 0.00 -4.76 0.00 2.88 0.15 -4.74 113.62 107.15 2rqb n SER 911 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2rqb s VAL 912 N 0.00 5.16 -0.35 2.46 -7.23 -1.26 -4.52 120.40 114.65 2rqb s VAL 912 Ca 0.00 0.85 -0.27 0.00 -1.81 0.00 0.00 61.98 60.75 2rqb s VAL 912 Cb 0.00 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 2rqb s VAL 912 CO 0.00 0.41 2.22 -0.22 -0.31 0.00 0.00 175.10 177.21 2rqb s LEU 913 N 0.08 3.42 -0.01 1.32 1.98 -1.26 -2.72 118.68 121.49 2rqb s LEU 913 Ca 0.24 1.46 -0.04 0.00 -2.89 0.00 0.00 54.13 52.90 2rqb s LEU 913 Cb -0.15 -3.11 -0.28 0.00 0.66 0.00 0.00 46.19 43.31 2rqb s LEU 913 CO 0.10 -2.28 0.81 0.00 -1.89 0.00 0.00 176.35 173.09 2rqb h ALA 914 N 16.42 0.28 -1.03 5.97 0.00 -1.65 -3.49 119.26 135.76 2rqb h ALA 914 Ca -0.34 -1.14 0.37 0.00 0.00 0.00 0.00 54.91 53.81 2rqb h ALA 914 Cb 1.24 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 2rqb h ALA 914 CO 1.05 1.15 0.99 0.00 0.00 0.00 0.00 179.25 182.44 2rqb s SER 916 N -2.65 6.32 0.42 0.00 1.04 -1.26 -0.26 113.70 117.30 2rqb s SER 916 Ca 0.14 0.24 0.14 0.00 0.48 0.00 0.00 55.95 56.95 2rqb s SER 916 Cb 0.05 -1.94 0.89 0.00 0.10 0.00 0.00 66.02 65.12 2rqb s SER 916 CO -0.05 -0.14 1.92 1.23 0.98 0.00 0.00 173.24 177.17 2rqb h GLY 917 N 1.14 0.00 1.66 7.32 0.00 -1.52 -1.56 103.07 110.11 2rqb h GLY 917 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2rqb h GLY 917 CO 0.62 0.00 -0.29 1.05 0.00 0.00 0.00 176.54 177.92 2rqb h GLU 918 N 0.00 0.00 -0.72 4.80 -0.00 -1.60 -3.14 114.58 113.91 2rqb h GLU 918 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2rqb h GLU 918 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 2rqb h GLU 918 CO 0.03 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.79 2rqb n ASP 919 N -2.56 3.80 -4.50 3.06 8.00 -0.60 -4.87 116.55 118.89 2rqb n ASP 919 Ca 0.04 -2.53 -0.25 0.00 0.71 0.00 0.00 54.79 52.76 2rqb n ASP 919 Cb 0.48 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rqb s ILE 920 N -2.03 2.70 0.23 0.53 -1.09 -1.18 -4.70 121.20 115.66 2rqb s ILE 920 Ca 0.33 -2.10 0.11 0.00 -2.23 0.00 0.00 60.65 56.76 2rqb s ILE 920 Cb 0.25 -2.37 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 2rqb s ILE 920 CO 0.11 -0.26 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.39 2rqb s HIS 921 N -2.10 2.42 0.15 3.97 3.76 -1.19 -4.72 115.29 117.58 2rqb s HIS 921 Ca 0.27 -0.30 0.10 0.00 -0.15 0.00 0.00 55.06 54.98 2rqb s HIS 921 Cb -0.07 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 2rqb s HIS 921 CO 0.14 0.60 -0.24 0.08 -0.85 0.00 0.00 174.74 174.47 2rqb s VAL 922 N -2.07 2.13 -0.18 -0.90 1.01 -1.26 -3.13 120.40 116.00 2rqb s VAL 922 Ca 0.26 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.40 2rqb s VAL 922 Cb -0.07 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2rqb s VAL 922 CO 0.14 -0.07 -0.07 -0.63 0.00 0.00 0.00 175.10 174.47 2rqb s ILE 923 N -1.45 1.34 -0.87 2.22 -1.09 -0.40 0.01 121.20 120.95 2rqb s ILE 923 Ca 0.15 -0.81 -0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2rqb s ILE 923 Cb -0.09 -1.48 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 2rqb s ILE 923 CO 0.07 0.13 0.01 -0.62 -1.23 0.00 0.00 174.94 173.30 2rqb n GLU 924 N 4.79 -2.38 -2.42 2.79 1.02 -1.26 -0.39 120.64 122.79 2rqb n GLU 924 Ca -0.13 0.49 -0.01 0.00 -0.02 0.00 0.00 57.16 57.49 2rqb n GLU 924 Cb 0.47 -5.07 -0.00 0.00 -0.02 0.00 0.00 31.44 26.82 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rqb n LYS 925 N -2.76 -2.84 0.00 3.49 4.01 -1.26 -4.57 118.16 114.22 2rqb n LYS 925 Ca -0.12 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2rqb n LYS 925 Cb 0.59 -4.53 0.00 0.00 -0.51 0.00 0.00 35.03 30.58 2rqb n LYS 925 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rqb n MET 926 N -2.45 0.25 -4.04 1.97 0.00 0.47 -5.00 117.12 108.32 2rqb n MET 926 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.37 2rqb n MET 926 Cb 0.48 -0.92 -0.16 0.00 0.00 0.00 0.00 33.22 32.62 2rqb n MET 926 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2rqb s HIS 927 N -1.85 2.70 -0.47 3.17 3.76 -0.30 -5.01 115.29 117.30 2rqb s HIS 927 Ca 0.00 -1.78 -0.21 0.00 -0.15 0.00 0.00 55.06 52.92 2rqb s HIS 927 Cb 0.00 -1.77 0.03 0.00 1.11 0.00 0.00 32.58 31.96 2rqb s HIS 927 CO 0.00 -0.79 0.68 -1.01 -0.85 0.00 0.00 174.74 172.77 2rqb s HIS 928 N 1.30 3.03 0.04 1.40 0.09 -1.26 -1.28 115.29 118.61 2rqb s HIS 928 Ca -0.02 -0.16 0.05 0.00 -0.00 0.00 0.00 55.06 54.93 2rqb s HIS 928 Cb -0.16 -3.49 -0.03 0.00 -0.00 0.00 0.00 32.58 28.89 2rqb s HIS 928 CO -0.08 -0.97 -0.10 0.14 -0.00 0.00 0.00 174.74 173.72 2rqb s VAL 929 N 2.93 3.36 -0.70 -0.90 -7.23 -1.18 -4.50 120.40 112.18 2rqb s VAL 929 Ca 0.22 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.21 2rqb s VAL 929 Cb -0.15 -2.48 0.15 0.00 0.56 0.00 0.00 36.38 34.45 2rqb s VAL 929 CO 0.17 0.30 0.73 0.21 -0.31 0.00 0.00 175.10 176.20 2rqb s ASN 930 N -1.65 6.43 -0.21 4.85 3.84 -0.21 -3.19 114.94 124.80 2rqb s ASN 930 Ca 0.18 -2.00 -0.04 0.00 0.21 0.00 0.00 52.86 51.21 2rqb s ASN 930 Cb -0.11 -2.26 -0.05 0.00 -0.55 0.00 0.00 41.25 38.28 2rqb s ASN 930 CO 0.09 -0.88 2.90 0.23 -2.79 0.00 0.00 177.10 176.65 2rqb n MET 931 N 5.35 2.00 -3.94 0.43 2.81 -1.26 -4.06 117.12 118.45 2rqb n MET 931 Ca 0.01 -1.45 -0.35 0.00 -1.81 0.00 0.00 57.70 54.10 2rqb n MET 931 Cb 0.44 -1.88 -0.12 0.00 -0.71 0.00 0.00 33.22 30.95 2rqb n MET 931 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2rqb s THR 932 N -0.75 4.34 0.01 2.03 2.01 -1.26 -4.98 115.64 117.03 2rqb s THR 932 Ca 0.51 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.14 2rqb s THR 932 Cb 0.29 -2.99 -0.22 0.00 0.01 0.00 0.00 72.50 69.60 2rqb s THR 932 CO -0.08 0.40 1.14 1.55 -0.69 0.00 0.00 174.62 176.93 2rqb h PRO 933 N 7.59 0.42 -0.07 4.92 0.13 -1.98 -3.16 132.00 139.84 2rqb h PRO 933 Ca -0.37 -0.40 0.02 0.00 -0.87 0.00 0.00 66.00 64.38 2rqb h PRO 933 Cb 1.18 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2rqb h PRO 933 CO 0.62 1.06 0.06 1.05 -0.23 0.00 0.00 178.00 180.55 2rqb h GLU 934 N -0.07 0.00 0.00 0.86 4.11 -1.98 0.17 114.58 117.67 2rqb h GLU 934 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2rqb h GLU 934 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2rqb h GLU 934 CO 0.11 0.00 0.00 0.35 0.07 0.00 0.00 179.01 179.54 2rqb h PHE 935 N 0.00 0.00 0.00 2.06 3.57 -1.83 -1.70 116.94 119.04 2rqb h PHE 935 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2rqb h PHE 935 Cb 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2rqb h PHE 935 CO 0.00 0.00 0.00 1.57 -2.23 0.00 0.00 178.31 177.65 2rqb h LYS 936 N 0.00 0.00 -0.25 1.11 2.10 -0.71 0.37 116.57 119.18 2rqb h LYS 936 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rqb h LYS 936 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2rqb h LYS 936 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 2rqb n GLU 937 N -2.49 2.04 -0.01 0.07 1.02 -0.64 -4.20 120.64 116.44 2rqb n GLU 937 Ca 0.00 -1.91 0.07 0.00 -0.02 0.00 0.00 57.16 55.30 2rqb n GLU 937 Cb 0.18 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 2rqb n GLU 937 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2rqb n LEU 938 N 1.05 0.07 -4.38 -4.62 4.77 0.04 -4.99 117.00 108.93 2rqb n LEU 938 Ca 0.14 -0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 2rqb n LEU 938 Cb 0.48 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 2rqb n LEU 938 CO 0.12 0.02 -0.54 -0.72 -1.33 0.00 0.00 177.39 174.93 2rqb s TYR 939 N -2.84 2.19 -0.03 -1.77 -0.85 -0.72 -4.11 117.35 109.22 2rqb s TYR 939 Ca -0.04 -0.39 0.04 0.00 -0.52 0.00 0.00 57.07 56.17 2rqb s TYR 939 Cb 0.09 -1.14 -0.00 0.00 0.38 0.00 0.00 41.96 41.28 2rqb s TYR 939 CO 0.55 0.38 -0.15 0.42 -1.52 0.00 0.00 175.55 175.23 2rqb s ILE 940 N -1.40 1.22 -0.13 -3.49 1.01 0.16 -4.84 121.20 113.72 2rqb s ILE 940 Ca 0.16 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 2rqb s ILE 940 Cb -0.09 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2rqb s ILE 940 CO 0.07 0.35 0.24 -0.69 0.00 0.00 0.00 174.94 174.92 2rqb s VAL 941 N 0.00 5.33 -0.22 2.92 1.01 -1.26 -0.88 120.40 127.30 2rqb s VAL 941 Ca -0.02 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 2rqb s VAL 941 Cb -0.10 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2rqb s VAL 941 CO 0.01 0.48 0.01 -0.13 0.00 0.00 0.00 175.10 175.47 2rqb s ARG 942 N -0.15 3.54 -0.60 2.72 3.00 -1.16 -5.02 118.95 121.28 2rqb s ARG 942 Ca 0.16 -0.55 -0.33 0.00 0.00 0.00 0.00 55.73 55.01 2rqb s ARG 942 Cb -0.13 -3.13 -0.15 0.00 0.00 0.00 0.00 34.95 31.55 2rqb s ARG 942 CO 0.04 -0.13 2.39 -1.91 0.00 0.00 0.00 175.30 175.69 2rqb n GLU 943 N 4.67 0.60 -3.68 3.54 2.13 -1.26 -4.20 120.64 122.44 2rqb n GLU 943 Ca -0.17 0.10 -0.09 0.00 0.66 0.00 0.00 57.16 57.65 2rqb n GLU 943 Cb 0.51 -2.26 -0.10 0.00 0.27 0.00 0.00 31.44 29.87 2rqb n GLU 943 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2rqb s ASN 944 N 8.75 -0.66 0.00 4.31 2.47 -1.26 -5.01 114.94 123.54 2rqb s ASN 944 Ca 1.17 1.10 0.23 0.00 0.42 0.00 0.00 52.86 55.77 2rqb s ASN 944 Cb -0.91 0.98 0.11 0.00 -1.45 0.00 0.00 41.25 39.98 2rqb s ASN 944 CO 0.46 -0.21 1.15 2.29 -3.72 0.00 0.00 177.10 177.07 2rqb n LYS 945 N 4.23 0.41 0.11 0.43 2.85 -1.26 -3.99 118.16 120.94 2rqb n LYS 945 Ca -0.22 -0.31 0.09 0.00 -1.05 0.00 0.00 58.31 56.82 2rqb n LYS 945 Cb 0.56 -1.49 0.43 0.00 -0.65 0.00 0.00 35.03 33.88 2rqb n LYS 945 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rqb n ALA 946 N -1.03 1.23 -0.60 0.58 0.00 -1.26 -3.67 120.51 115.77 2rqb n ALA 946 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2rqb n ALA 946 Cb 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2rqb n ALA 946 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rqb n LEU 947 N -2.04 0.00 -4.60 0.00 7.99 -1.26 -5.02 117.00 112.07 2rqb n LEU 947 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 2rqb n LEU 947 Cb 0.09 -0.16 0.17 0.00 -0.11 0.00 0.00 43.42 43.40 2rqb n LEU 947 CO 0.10 -0.20 0.52 0.00 -1.51 0.00 0.00 177.39 176.30 2rqb n GLN 948 N -1.85 -0.65 -4.18 3.23 -0.00 -1.24 -5.02 117.38 107.68 2rqb n GLN 948 Ca 0.00 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.00 56.70 2rqb n GLN 948 Cb 0.00 -2.26 -0.06 0.00 -0.00 0.00 0.00 30.24 27.91 2rqb n GLN 948 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2rqb s LYS 949 N -4.43 1.78 0.00 2.61 1.02 -1.26 -4.78 119.74 114.68 2rqb s LYS 949 Ca 0.65 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.78 2rqb s LYS 949 Cb -0.23 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2rqb s LYS 949 CO 0.60 -0.69 0.00 1.63 -0.92 0.00 0.00 175.35 175.97 2rqb n LYS 950 N -0.56 0.00 -1.54 1.68 5.02 -1.26 -4.58 118.16 116.92 2rqb n LYS 950 Ca 0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 2rqb n LYS 950 Cb 0.62 -0.14 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqb s ALA 952 N 10.60 -2.45 -0.06 0.00 0.00 -1.26 -5.04 121.76 123.55 2rqb s ALA 952 Ca 1.07 0.02 0.10 0.00 0.00 0.00 0.00 51.96 53.15 2rqb s ALA 952 Cb -0.43 0.90 -0.14 0.00 0.00 0.00 0.00 23.12 23.45 2rqb s ALA 952 CO 0.28 -1.15 0.13 -3.47 0.00 0.00 0.00 175.76 171.54 2rqb n ASP 953 N -1.07 2.58 -4.16 0.00 2.03 -1.26 -4.84 116.55 109.82 2rqb n ASP 953 Ca 0.04 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.95 2rqb n ASP 953 Cb 0.59 1.08 -0.08 0.00 -0.72 0.00 0.00 41.12 41.99 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2rqb s TYR 954 N -2.47 3.50 0.26 -0.67 2.02 -1.26 -4.83 117.35 113.90 2rqb s TYR 954 Ca -0.04 -2.38 -0.30 0.00 -0.37 0.00 0.00 57.07 53.98 2rqb s TYR 954 Cb 0.05 -3.38 -0.10 0.00 -0.40 0.00 0.00 41.96 38.13 2rqb s TYR 954 CO 0.42 -0.91 1.35 -1.14 -1.57 0.00 0.00 175.55 173.70 2rqb s GLN 955 N 0.41 4.34 0.22 -0.62 -0.44 -1.16 -4.70 119.66 117.71 2rqb s GLN 955 Ca 0.14 2.18 0.10 0.00 -2.50 0.00 0.00 55.36 55.28 2rqb s GLN 955 Cb -0.20 -3.13 -0.04 0.00 -1.64 0.00 0.00 33.01 28.00 2rqb s GLN 955 CO -0.04 -0.28 -0.09 0.42 0.50 0.00 0.00 175.29 175.79 2rqb s ILE 956 N -0.31 3.10 -0.13 -2.34 -1.09 -1.26 0.19 121.20 119.36 2rqb s ILE 956 Ca 0.55 -1.88 0.18 0.00 -2.23 0.00 0.00 60.65 57.27 2rqb s ILE 956 Cb -0.39 -2.58 -0.24 0.00 -1.58 0.00 0.00 42.46 37.67 2rqb s ILE 956 CO 0.44 -0.23 0.41 0.59 -1.23 0.00 0.00 174.94 174.92 2rqb n ASN 957 N -0.33 0.31 0.00 3.58 3.02 -0.62 -4.69 115.26 116.54 2rqb n ASN 957 Ca -0.09 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2rqb n ASN 957 Cb 0.57 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.62 2rqb n ASN 957 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rqb n GLY 958 N 1.54 -0.25 3.11 7.41 0.00 -1.26 -4.61 105.19 111.13 2rqb n GLY 958 Ca -0.19 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2rqb n GLY 958 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqb s GLU 959 N -1.44 2.53 0.11 1.61 2.12 -1.26 -3.37 118.70 119.00 2rqb s GLU 959 Ca 0.00 -0.68 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 2rqb s GLU 959 Cb 0.00 -2.05 -0.07 0.00 0.26 0.00 0.00 34.13 32.27 2rqb s GLU 959 CO 0.00 0.01 0.79 0.96 -0.54 0.00 0.00 175.26 176.48 2rqb s ILE 960 N 0.78 4.53 0.01 -3.70 -4.36 -1.19 -2.96 121.20 114.31 2rqb s ILE 960 Ca -0.10 1.71 0.01 0.00 -0.26 0.00 0.00 60.65 62.01 2rqb s ILE 960 Cb -0.16 -4.15 -0.01 0.00 1.25 0.00 0.00 42.46 39.40 2rqb s ILE 960 CO 0.01 0.44 -0.03 0.27 0.24 0.00 0.00 174.94 175.87 2rqb s ILE 961 N -0.57 0.19 0.71 8.37 -4.36 -0.06 -0.07 121.20 125.40 2rqb s ILE 961 Ca 0.38 -0.41 -0.12 0.00 -0.26 0.00 0.00 60.65 60.24 2rqb s ILE 961 Cb -0.22 -0.22 0.18 0.00 1.25 0.00 0.00 42.46 43.45 2rqb s ILE 961 CO 0.25 -0.14 0.47 0.00 0.24 0.00 0.00 174.94 175.76 2rqb h LYS 963 N 0.00 -0.14 -0.80 0.00 1.79 -1.92 -1.76 116.57 113.73 2rqb h LYS 963 Ca -0.20 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2rqb h LYS 963 Cb 0.66 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.28 2rqb h LYS 963 CO 0.12 -0.06 0.52 0.00 -1.08 0.00 0.00 179.45 178.95 2rqb n GLY 965 N -1.44 1.17 3.57 0.00 0.00 -0.66 -5.11 105.19 102.72 2rqb n GLY 965 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2rqb n GLY 965 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rqb s GLN 966 N -0.04 3.80 -0.77 1.61 2.00 -1.26 -4.73 119.66 120.27 2rqb s GLN 966 Ca 0.00 -0.28 -0.25 0.00 -2.00 0.00 0.00 55.36 52.83 2rqb s GLN 966 Cb 0.00 -3.72 -0.17 0.00 0.80 0.00 0.00 33.01 29.92 2rqb s GLN 966 CO 0.00 -0.34 2.48 0.00 -0.50 0.00 0.00 175.29 176.92 2rqb n ALA 967 N 5.25 0.60 0.14 1.58 0.00 -1.26 -0.96 120.51 125.85 2rqb n ALA 967 Ca -0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.54 2rqb n ALA 967 Cb 0.51 -2.81 0.20 0.00 0.00 0.00 0.00 19.45 17.35 2rqb n ALA 967 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2rqb h TRP 968 N 14.91 0.06 0.00 0.00 6.55 -0.81 -3.43 115.95 133.23 2rqb h TRP 968 Ca -0.10 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.71 2rqb h TRP 968 Cb 1.22 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 2rqb h TRP 968 CO 1.09 0.60 0.00 0.41 -1.05 0.00 0.00 178.44 179.49 2rqb n GLY 969 N 0.09 -0.46 3.35 1.49 0.00 -1.12 0.83 105.19 109.37 2rqb n GLY 969 Ca -0.01 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 2rqb n GLY 969 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rqb s THR 970 N 0.00 0.07 -0.49 2.61 -4.23 0.82 -3.18 115.64 111.24 2rqb s THR 970 Ca 0.00 -0.82 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2rqb s THR 970 Cb 0.00 -1.39 0.13 0.00 1.34 0.00 0.00 72.50 72.58 2rqb s THR 970 CO 0.00 -0.31 0.33 -0.32 -0.54 0.00 0.00 174.62 173.79 2rqb s MET 971 N -3.85 2.40 0.39 3.99 1.75 -1.22 0.46 119.30 123.22 2rqb s MET 971 Ca 0.07 -1.90 -0.19 0.00 -1.25 0.00 0.00 55.69 52.42 2rqb s MET 971 Cb 0.02 -3.83 -0.10 0.00 2.84 0.00 0.00 34.83 33.76 2rqb s MET 971 CO -0.08 -1.16 0.87 -1.64 -0.65 0.00 0.00 175.02 172.36 2rqb s MET 972 N 1.08 4.14 0.03 4.11 -1.94 -0.28 -1.59 119.30 124.85 2rqb s MET 972 Ca 0.08 0.95 0.06 0.00 -1.71 0.00 0.00 55.69 55.08 2rqb s MET 972 Cb -0.24 -2.27 -0.02 0.00 2.01 0.00 0.00 34.83 34.31 2rqb s MET 972 CO -0.02 0.03 -0.18 0.08 -0.01 0.00 0.00 175.02 174.92 2rqb s VAL 973 N -2.12 1.44 -0.33 -6.03 1.01 0.52 -0.92 120.40 113.96 2rqb s VAL 973 Ca 0.59 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2rqb s VAL 973 Cb -0.09 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.14 2rqb s VAL 973 CO 0.15 0.18 0.13 -2.28 0.00 0.00 0.00 175.10 173.28 2rqb s HIS 974 N -0.73 1.50 -2.06 5.22 5.04 -1.15 -2.99 115.29 120.12 2rqb s HIS 974 Ca 0.06 -1.70 0.00 0.00 -1.54 0.00 0.00 55.06 51.87 2rqb s HIS 974 Cb -0.08 -1.58 0.00 0.00 0.04 0.00 0.00 32.58 30.96 2rqb s HIS 974 CO 0.01 -0.86 0.00 1.63 -2.34 0.00 0.00 174.74 173.18 2rqb n LYS 975 N 4.69 -1.43 0.00 2.88 5.02 -1.26 -0.57 118.16 127.49 2rqb n LYS 975 Ca -0.00 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 2rqb n LYS 975 Cb 0.41 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 2rqb n LYS 975 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rqb n GLY 976 N -0.59 0.99 3.88 0.72 0.00 -1.26 -5.10 105.19 103.83 2rqb n GLY 976 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2rqb n GLY 976 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqb s LEU 977 N 0.00 2.74 -0.24 0.99 2.96 0.26 -5.06 118.68 120.33 2rqb s LEU 977 Ca 0.00 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 2rqb s LEU 977 Cb 0.00 -3.71 0.06 0.00 0.50 0.00 0.00 46.19 43.04 2rqb s LEU 977 CO 0.00 -1.58 -0.10 1.51 -1.32 0.00 0.00 176.35 174.86 2rqb s ASP 978 N -4.40 4.13 -0.33 3.68 -4.77 -1.26 -2.92 116.67 110.80 2rqb s ASP 978 Ca 0.60 -1.26 -0.01 0.00 -3.30 0.00 0.00 52.55 48.58 2rqb s ASP 978 Cb -0.11 -1.42 0.11 0.00 -1.09 0.00 0.00 42.92 40.41 2rqb s ASP 978 CO 0.51 -0.19 0.15 -0.76 0.70 0.00 0.00 175.17 175.58 2rqb s LEU 979 N 1.21 1.66 -0.25 2.11 1.02 -0.10 -4.90 118.68 119.44 2rqb s LEU 979 Ca -0.07 -1.80 -0.29 0.00 0.02 0.00 0.00 54.13 51.99 2rqb s LEU 979 Cb -0.19 -0.68 -0.01 0.00 0.02 0.00 0.00 46.19 45.33 2rqb s LEU 979 CO -0.06 -0.38 1.32 -2.16 0.02 0.00 0.00 176.35 175.09 2rqb s PRO 980 N 1.44 4.01 -0.48 1.29 0.04 -1.26 -1.12 135.00 138.92 2rqb s PRO 980 Ca 0.12 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 2rqb s PRO 980 Cb -0.19 -3.86 0.07 0.00 0.04 0.00 0.00 34.50 30.56 2rqb s PRO 980 CO -0.20 -1.00 0.44 0.00 0.04 0.00 0.00 177.00 176.28 2rqb s LEU 982 N 1.84 2.99 -0.10 0.00 1.02 -1.26 -0.13 118.68 123.04 2rqb s LEU 982 Ca 0.06 0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2rqb s LEU 982 Cb -0.23 -3.14 0.02 0.00 0.02 0.00 0.00 46.19 42.86 2rqb s LEU 982 CO 0.08 -1.40 -0.10 -0.54 0.02 0.00 0.00 176.35 174.41 2rqb s LYS 983 N -5.10 1.68 0.53 1.70 1.02 0.24 -4.87 119.74 114.95 2rqb s LYS 983 Ca 0.58 -0.34 0.35 0.00 0.02 0.00 0.00 55.97 56.59 2rqb s LYS 983 Cb -0.11 -1.61 1.90 0.00 -0.52 0.00 0.00 37.83 37.50 2rqb s LYS 983 CO 0.43 -0.18 2.08 0.82 -0.92 0.00 0.00 175.35 177.59 2rqb h ILE 984 N 6.10 0.00 0.00 2.17 2.04 -1.85 0.34 117.51 126.31 2rqb h ILE 984 Ca -0.31 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2rqb h ILE 984 Cb 1.15 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2rqb h ILE 984 CO 0.44 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.48 2rqb n ARG 985 N -2.75 0.07 0.00 2.37 1.85 0.16 -2.23 116.66 116.13 2rqb n ARG 985 Ca -0.02 0.24 0.01 0.00 -1.00 0.00 0.00 57.85 57.08 2rqb n ARG 985 Cb 0.06 -1.62 -0.00 0.00 -1.05 0.00 0.00 32.46 29.85 2rqb n ARG 985 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rqb n ASN 986 N -1.76 0.68 -4.15 2.89 3.02 0.11 -4.99 115.26 111.08 2rqb n ASN 986 Ca 0.04 -0.84 -0.24 0.00 -0.03 0.00 0.00 54.58 53.51 2rqb n ASN 986 Cb 0.24 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 2rqb n ASN 986 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2rqb n PHE 987 N -0.41 0.32 -4.15 3.10 3.01 -0.84 -0.30 117.46 118.19 2rqb n PHE 987 Ca 0.01 -1.92 -0.10 0.00 1.01 0.00 0.00 57.45 56.45 2rqb n PHE 987 Cb 0.04 -0.30 -0.10 0.00 -0.01 0.00 0.00 39.48 39.12 2rqb n PHE 987 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rqb s VAL 988 N -2.33 0.39 -0.14 -4.37 1.01 -0.38 -4.47 120.40 110.11 2rqb s VAL 988 Ca 0.09 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.18 2rqb s VAL 988 Cb -0.01 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.60 2rqb s VAL 988 CO 0.05 -0.75 -0.17 -0.69 0.00 0.00 0.00 175.10 173.54 2rqb s VAL 989 N -3.83 1.75 -0.21 2.92 1.01 -0.87 -1.56 120.40 119.62 2rqb s VAL 989 Ca 0.15 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2rqb s VAL 989 Cb 0.07 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 2rqb s VAL 989 CO -0.03 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 174.78 2rqb s VAL 990 N 1.14 3.06 -0.28 2.92 1.01 -0.93 -0.49 120.40 126.83 2rqb s VAL 990 Ca -0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 2rqb s VAL 990 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2rqb s VAL 990 CO -0.06 0.46 0.56 -0.36 0.00 0.00 0.00 175.10 175.69 2rqb s PHE 991 N 1.36 3.24 -0.41 5.22 0.08 -0.21 -2.32 117.98 124.94 2rqb s PHE 991 Ca 0.05 0.58 0.23 0.00 0.12 0.00 0.00 56.93 57.91 2rqb s PHE 991 Cb -0.14 -2.83 0.23 0.00 -0.57 0.00 0.00 43.02 39.71 2rqb s PHE 991 CO -0.05 -0.37 1.32 -0.22 -0.10 0.00 0.00 175.22 175.80 2rqb h LYS 992 N 8.11 0.00 -0.02 0.44 3.64 -1.14 -0.99 116.57 126.61 2rqb h LYS 992 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2rqb h LYS 992 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2rqb h LYS 992 CO 0.75 0.00 -0.22 0.09 -2.27 0.00 0.00 179.45 177.81 2rqb n ASN 993 N -2.66 2.56 0.00 4.20 5.03 -1.26 -4.03 115.26 119.10 2rqb n ASN 993 Ca 0.02 -1.78 0.00 0.00 0.87 0.00 0.00 54.58 53.69 2rqb n ASN 993 Cb 0.51 0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 2rqb n ASN 993 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2rqb n ASN 994 N 0.73 0.88 -4.13 6.41 5.15 -1.21 -4.60 115.26 118.49 2rqb n ASN 994 Ca 0.12 -1.03 -0.41 0.00 -0.60 0.00 0.00 54.58 52.66 2rqb n ASN 994 Cb 0.54 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.77 2rqb n ASN 994 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2rqb n SER 995 N -0.02 -2.41 -3.74 1.20 3.41 -0.41 -4.91 113.62 106.75 2rqb n SER 995 Ca 0.00 -1.25 -0.08 0.00 -0.26 0.00 0.00 58.87 57.28 2rqb n SER 995 Cb 0.05 -1.52 -0.02 0.00 -0.26 0.00 0.00 64.21 62.46 2rqb n SER 995 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rqb s THR 996 N -3.82 0.00 -0.14 6.66 2.01 -0.98 -5.03 115.64 114.34 2rqb s THR 996 Ca 0.33 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 2rqb s THR 996 Cb -0.18 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.16 2rqb s THR 996 CO 0.94 0.00 0.00 -0.75 -0.69 0.00 0.00 174.62 174.13 2rqb s LYS 997 N -3.68 0.80 0.44 4.92 2.20 -1.26 -1.05 119.74 122.10 2rqb s LYS 997 Ca 0.16 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.62 2rqb s LYS 997 Cb -0.04 -1.62 -0.01 0.00 -1.51 0.00 0.00 37.83 34.64 2rqb s LYS 997 CO 0.09 -0.46 0.36 0.15 -0.36 0.00 0.00 175.35 175.13 2rqb s LYS 998 N 1.86 2.43 -0.22 4.03 3.01 0.35 -5.01 119.74 126.20 2rqb s LYS 998 Ca 0.02 -1.66 -0.04 0.00 -1.01 0.00 0.00 55.97 53.27 2rqb s LYS 998 Cb -0.15 -2.28 0.08 0.00 -1.01 0.00 0.00 37.83 34.48 2rqb s LYS 998 CO -0.07 -0.26 0.12 -1.14 0.51 0.00 0.00 175.35 174.51 2rqb s GLN 999 N -4.13 0.12 0.06 1.68 0.74 -1.26 -2.05 119.66 114.82 2rqb s GLN 999 Ca 0.45 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.63 2rqb s GLN 999 Cb -0.02 -1.51 0.01 0.00 1.10 0.00 0.00 33.01 32.59 2rqb s GLN 999 CO 0.26 -0.81 0.08 0.66 -0.55 0.00 0.00 175.29 174.93 2rqb n TYR 1000N 5.27 -3.27 0.00 1.67 4.02 -1.26 -5.02 117.16 118.56 2rqb n TYR 1000Ca -0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 2rqb n TYR 1000Cb 0.46 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 2rqb n TYR 1000CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2rqb n LYS 1001N -1.14 0.00 -4.43 -0.72 2.85 -1.26 -4.18 118.16 109.28 2rqb n LYS 1001Ca 0.01 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.02 2rqb n LYS 1001Cb 0.05 -0.41 -0.10 0.00 -0.65 0.00 0.00 35.03 33.91 2rqb n LYS 1001CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2rqb s LYS 1002N -1.95 1.68 0.47 -1.58 1.02 -1.26 -0.67 119.74 117.45 2rqb s LYS 1002Ca 0.00 -1.61 0.25 0.00 0.02 0.00 0.00 55.97 54.62 2rqb s LYS 1002Cb 0.00 -1.85 1.13 0.00 -0.52 0.00 0.00 37.83 36.59 2rqb s LYS 1002CO 0.00 0.37 1.93 -1.49 -0.92 0.00 0.00 175.35 175.23 2rqb h TRP 1003N 2.67 0.00 -0.11 3.18 4.06 -1.96 -1.77 115.95 122.01 2rqb h TRP 1003Ca -0.43 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.47 2rqb h TRP 1003Cb 1.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 2rqb h TRP 1003CO 0.74 0.20 -0.14 -0.24 -3.56 0.00 0.00 178.44 175.44 2rqb h VAL 1004N 0.00 1.17 0.00 1.49 3.04 -1.99 -0.31 116.25 119.64 2rqb h VAL 1004Ca -0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2rqb h VAL 1004Cb 0.58 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2rqb h VAL 1004CO 0.03 0.23 0.00 -0.33 -1.01 0.00 0.00 177.57 176.48 2rqb h GLU 1005N 0.17 0.00 -6.32 4.17 4.39 -1.73 -3.42 114.58 111.84 2rqb h GLU 1005Ca 0.04 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.17 2rqb h GLU 1005Cb 0.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2rqb h GLU 1005CO 0.02 0.00 1.11 -1.17 -1.16 0.00 0.00 179.01 177.82 2rqb s LEU 1006N -5.82 3.81 0.00 1.33 2.96 -0.13 -4.84 118.68 115.99 2rqb s LEU 1006Ca 0.01 1.42 0.24 0.00 -0.22 0.00 0.00 54.13 55.58 2rqb s LEU 1006Cb 0.09 -3.53 1.40 0.00 0.50 0.00 0.00 46.19 44.65 2rqb s LEU 1006CO 0.49 -1.31 1.79 -0.81 -1.32 0.00 0.00 176.35 175.19 2rqb n PRO 1007N 7.75 0.71 -3.15 0.98 -0.04 -1.26 -4.74 135.00 135.24 2rqb n PRO 1007Ca 0.18 0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 63.26 2rqb n PRO 1007Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 2rqb n PRO 1007CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2rqb s ILE 1008N -2.05 4.66 0.08 0.52 1.09 -1.26 -4.84 121.20 119.39 2rqb s ILE 1008Ca 0.35 1.41 -0.27 0.00 -1.10 0.00 0.00 60.65 61.04 2rqb s ILE 1008Cb 0.16 -4.00 -0.06 0.00 -1.06 0.00 0.00 42.46 37.51 2rqb s ILE 1008CO 0.28 0.50 0.83 -0.89 -0.10 0.00 0.00 174.94 175.57 2rqb s THR 1009N -0.85 4.61 0.34 2.92 2.01 -1.20 -5.00 115.64 118.47 2rqb s THR 1009Ca 0.32 1.78 0.07 0.00 0.31 0.00 0.00 61.69 64.18 2rqb s THR 1009Cb -0.20 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2rqb s THR 1009CO 0.21 0.37 0.28 -0.36 -0.69 0.00 0.00 174.62 174.43 2rqb s PHE 1010N -0.17 2.89 0.00 4.92 0.40 -1.26 -4.47 117.98 120.28 2rqb s PHE 1010Ca 0.41 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 2rqb s PHE 1010Cb -0.22 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2rqb s PHE 1010CO 0.26 0.20 0.00 -0.35 0.70 0.00 0.00 175.22 176.02 2rqb n PRO 1011N -1.35 0.43 -3.44 0.24 -0.04 -1.26 -5.05 135.00 124.53 2rqb n PRO 1011Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 2rqb n PRO 1011Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 2rqb n PRO 1011CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rqb s ASN 1012N -1.25 0.64 -0.17 3.54 -0.87 -1.26 -4.34 114.94 111.23 2rqb s ASN 1012Ca 0.00 0.13 0.01 0.00 -1.57 0.00 0.00 52.86 51.43 2rqb s ASN 1012Cb 0.00 0.82 0.02 0.00 -0.02 0.00 0.00 41.25 42.08 2rqb s ASN 1012CO 0.00 -0.30 -0.17 -0.22 -2.57 0.00 0.00 177.10 173.83 2rqb s LEU 1013N 2.46 2.02 0.43 0.60 0.20 0.10 -4.88 118.68 119.62 2rqb s LEU 1013Ca 0.09 -0.62 0.08 0.00 0.69 0.00 0.00 54.13 54.36 2rqb s LEU 1013Cb -0.15 -1.37 0.00 0.00 -0.43 0.00 0.00 46.19 44.24 2rqb s LEU 1013CO -0.14 -0.03 0.49 -0.62 -0.29 0.00 0.00 176.35 175.77 2rqb s ASP 1014N 1.36 5.30 -0.11 3.68 -1.08 -1.26 -3.99 116.67 120.57 2rqb s ASP 1014Ca 0.04 -0.63 -0.09 0.00 -0.52 0.00 0.00 52.55 51.36 2rqb s ASP 1014Cb -0.13 -0.51 -0.27 0.00 -1.46 0.00 0.00 42.92 40.55 2rqb s ASP 1014CO -0.12 -0.77 0.42 1.88 0.52 0.00 0.00 175.17 177.10 2rqb h TYR 1015N 0.79 0.50 -1.58 -5.34 0.05 -1.95 -3.35 116.97 106.09 2rqb h TYR 1015Ca -0.40 -0.37 0.49 0.00 0.05 0.00 0.00 58.73 58.51 2rqb h TYR 1015Cb 1.28 -0.02 -0.10 0.00 1.01 0.00 0.00 36.73 38.89 2rqb h TYR 1015CO 0.48 1.75 1.09 1.03 -1.05 0.00 0.00 178.16 181.45 2rqb h SER 1016N 0.01 0.12 -0.70 3.88 0.87 -2.05 0.44 113.55 116.13 2rqb h SER 1016Ca -0.40 0.07 0.13 0.00 -1.23 0.00 0.00 61.79 60.36 2rqb h SER 1016Cb 2.00 0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 63.90 2rqb h SER 1016CO 0.09 -0.11 -0.27 -0.33 -0.53 0.00 0.00 176.83 175.68 2rqb h GLU 1017N 0.03 -0.07 -5.45 2.24 4.39 -2.00 -3.36 114.58 110.36 2rqb h GLU 1017Ca 0.86 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.97 2rqb h GLU 1017Cb 3.07 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 31.63 2rqb h GLU 1017CO -0.23 -0.05 -0.35 0.00 -1.16 0.00 0.00 179.01 177.22 2rqb h LEU 1020N 0.41 0.91 -1.74 0.00 3.38 -1.95 -2.33 115.31 113.99 2rqb h LEU 1020Ca -0.03 -0.17 0.51 0.00 0.09 0.00 0.00 57.88 58.28 2rqb h LEU 1020Cb 1.17 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2rqb h LEU 1020CO 0.01 0.83 1.35 0.49 0.09 0.00 0.00 178.44 181.21 2rqb n PHE 1021N -4.41 0.00 -1.50 1.13 3.72 -1.26 -4.29 117.46 110.85 2rqb n PHE 1021Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 2rqb n PHE 1021Cb 0.17 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.20 2rqb n PHE 1021CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqb n SER 1022N -3.72 1.76 -0.00 4.37 2.88 -0.88 -4.68 113.62 113.34 2rqb n SER 1022Ca 0.39 0.02 0.05 0.00 -1.33 0.00 0.00 58.87 58.01 2rqb n SER 1022Cb 1.87 -1.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 2rqb n SER 1022CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqb n ASP 1023N 12.20 1.64 -4.10 -3.46 -0.08 -1.26 -5.03 116.55 116.46 2rqb n ASP 1023Ca 0.46 -0.33 -0.33 0.00 -1.51 0.00 0.00 54.79 53.08 2rqb n ASP 1023Cb 0.30 1.27 0.11 0.00 2.34 0.00 0.00 41.12 45.14 2rqb n ASP 1023CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2rqb n GLU 1024N -1.60 -0.98 0.00 -0.67 1.02 -1.26 -5.29 120.64 111.87 2rqb n GLU 1024Ca -0.00 -0.28 0.11 0.00 -0.02 0.00 0.00 57.16 56.97 2rqb n GLU 1024Cb 0.23 -1.38 0.66 0.00 -0.02 0.00 0.00 31.44 30.93 2rqb n GLU 1024CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06