#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb s PRO 892 N 0.00 -0.27 0.17 1.61 0.04 -1.26 -5.10 135.00 130.18 2rqb s PRO 892 Ca 0.00 -0.24 0.03 0.00 0.04 0.00 0.00 61.00 60.83 2rqb s PRO 892 Cb 0.00 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2rqb s PRO 892 CO 0.00 -3.05 0.15 1.28 0.04 0.00 0.00 177.00 175.42 2rqb n LEU 893 N -4.25 0.00 -4.49 -3.56 7.99 -1.26 -5.15 117.00 106.27 2rqb n LEU 893 Ca 0.14 -1.56 -0.24 0.00 -0.01 0.00 0.00 56.01 54.34 2rqb n LEU 893 Cb 0.59 0.88 -0.10 0.00 -0.11 0.00 0.00 43.42 44.68 2rqb n LEU 893 CO 0.45 -0.27 -0.39 -0.83 -1.51 0.00 0.00 177.39 174.85 2rqb s GLY 894 N -2.15 2.02 0.00 -0.72 0.00 -1.26 -4.83 107.32 100.38 2rqb s GLY 894 Ca 0.19 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2rqb s GLY 894 CO 0.14 -1.95 0.00 -1.26 0.00 0.00 0.00 173.10 170.02 2rqb n SER 895 N -0.69 0.00 -2.48 1.64 2.88 -1.26 -5.11 113.62 108.60 2rqb n SER 895 Ca -0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.44 2rqb n SER 895 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 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 -1.59 -0.37 -3.82 0.66 4.01 -1.26 -5.17 117.16 109.62 2rqb n TYR 896 Ca 0.00 -0.43 -0.07 0.00 -0.16 0.00 0.00 57.90 57.24 2rqb n TYR 896 Cb 0.00 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 38.98 2rqb n TYR 896 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rqb s LYS 897 N -2.35 1.99 -1.46 -0.72 -2.85 -1.26 -4.77 119.74 108.32 2rqb s LYS 897 Ca 0.02 -1.26 -0.08 0.00 -1.00 0.00 0.00 55.97 53.65 2rqb s LYS 897 Cb -0.00 0.57 0.03 0.00 -2.06 0.00 0.00 37.83 36.37 2rqb s LYS 897 CO 0.01 -0.93 0.76 0.09 0.10 0.00 0.00 175.35 175.39 2rqb n ASN 898 N -1.27 -5.49 -3.97 0.03 4.13 -1.26 -4.97 115.26 102.46 2rqb n ASN 898 Ca -0.07 -0.44 -0.26 0.00 1.68 0.00 0.00 54.58 55.49 2rqb n ASN 898 Cb 0.60 -4.41 -0.17 0.00 -1.54 0.00 0.00 39.78 34.26 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2rqb s ASN 899 N -2.93 2.06 0.00 6.41 3.84 -1.26 -4.30 114.94 118.76 2rqb s ASN 899 Ca 0.44 -0.32 0.21 0.00 0.21 0.00 0.00 52.86 53.40 2rqb s ASN 899 Cb -0.21 -0.87 1.24 0.00 -0.55 0.00 0.00 41.25 40.86 2rqb s ASN 899 CO 0.55 -0.04 1.66 -0.81 -2.79 0.00 0.00 177.10 175.66 2rqb n PRO 900 N 4.42 0.75 0.07 0.43 -0.04 -1.26 -2.36 135.00 137.01 2rqb n PRO 900 Ca -0.18 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2rqb n PRO 900 Cb 0.51 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.69 3.54 0.87 -1.94 -1.76 113.55 114.95 2rqb h SER 901 Ca 0.00 0.00 -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 0.47 -1.40 0.18 -0.53 0.00 0.00 176.83 175.55 2rqb n LEU 902 N -2.94 0.75 -4.95 2.23 4.77 -0.99 -4.90 117.00 110.98 2rqb n LEU 902 Ca -0.05 0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 56.00 2rqb n LEU 902 Cb 0.77 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 2rqb n LEU 902 CO 0.42 0.07 -0.02 0.27 -1.33 0.00 0.00 177.39 176.80 2rqb s ILE 903 N -3.05 5.25 0.13 -0.08 -4.36 -1.18 -0.27 121.20 117.64 2rqb s ILE 903 Ca -0.03 -0.66 -0.10 0.00 -0.26 0.00 0.00 60.65 59.60 2rqb s ILE 903 Cb 0.09 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 40.01 2rqb s ILE 903 CO 0.81 -0.23 0.27 -0.89 0.24 0.00 0.00 174.94 175.14 2rqb s THR 904 N -1.91 0.10 -0.09 8.37 2.01 -1.00 -3.52 115.64 119.60 2rqb s THR 904 Ca 0.36 -1.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 2rqb s THR 904 Cb -0.10 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2rqb s THR 904 CO 0.30 -0.44 0.06 -0.36 -0.69 0.00 0.00 174.62 173.49 2rqb s PHE 905 N -3.90 3.33 0.34 4.92 0.08 0.89 -2.16 117.98 121.48 2rqb s PHE 905 Ca 0.10 0.31 0.04 0.00 0.12 0.00 0.00 56.93 57.51 2rqb s PHE 905 Cb 0.04 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 2rqb s PHE 905 CO -0.06 0.58 0.17 -0.51 -0.10 0.00 0.00 175.22 175.29 2rqb s LEU 906 N -1.06 1.80 -0.22 -0.37 1.43 -0.48 -1.80 118.68 117.97 2rqb s LEU 906 Ca 0.15 -1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 51.44 2rqb s LEU 906 Cb -0.12 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 2rqb s LEU 906 CO 0.05 -0.92 0.58 0.00 0.23 0.00 0.00 176.35 176.29 2rqb h LYS 908 N 7.67 -0.82 -0.55 0.00 3.64 -1.15 0.43 116.57 125.79 2rqb h LYS 908 Ca -0.30 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2rqb h LYS 908 Cb 1.14 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 2rqb h LYS 908 CO 0.76 -0.55 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.00 2rqb h ASN 909 N -0.85 -1.64 0.00 4.20 4.21 -1.94 -3.40 115.58 116.16 2rqb h ASN 909 Ca -0.03 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.73 2rqb h ASN 909 Cb 0.80 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 38.71 2rqb h ASN 909 CO -0.18 -0.35 0.00 0.00 -1.29 0.00 0.00 177.43 175.60 2rqb n SER 911 N 0.00 0.00 -4.74 0.00 3.41 0.15 -4.75 113.62 107.69 2rqb n SER 911 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2rqb s VAL 912 N 0.00 5.23 -0.29 -3.33 -7.23 -1.26 -4.53 120.40 108.99 2rqb s VAL 912 Ca 0.00 0.75 -0.28 0.00 -1.81 0.00 0.00 61.98 60.64 2rqb s VAL 912 Cb 0.00 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 2rqb s VAL 912 CO 0.00 0.39 2.26 -0.22 -0.31 0.00 0.00 175.10 177.22 2rqb s LEU 913 N 0.35 3.43 -0.04 1.32 1.98 -1.26 -2.76 118.68 121.70 2rqb s LEU 913 Ca 0.21 1.68 0.02 0.00 -2.89 0.00 0.00 54.13 53.15 2rqb s LEU 913 Cb -0.14 -3.27 -0.25 0.00 0.66 0.00 0.00 46.19 43.18 2rqb s LEU 913 CO 0.08 -2.19 0.67 0.00 -1.89 0.00 0.00 176.35 173.02 2rqb h ALA 914 N 16.17 0.49 -1.19 5.97 0.00 -1.69 -3.49 119.26 135.52 2rqb h ALA 914 Ca -0.37 -1.30 0.34 0.00 0.00 0.00 0.00 54.91 53.58 2rqb h ALA 914 Cb 1.25 0.45 -0.16 0.00 0.00 0.00 0.00 17.79 19.32 2rqb h ALA 914 CO 1.01 1.35 0.93 0.00 0.00 0.00 0.00 179.25 182.53 2rqb s SER 916 N -2.57 5.09 0.14 0.00 0.15 -1.26 -0.07 113.70 115.17 2rqb s SER 916 Ca 0.13 -0.42 -0.23 0.00 0.70 0.00 0.00 55.95 56.13 2rqb s SER 916 Cb 0.03 -1.16 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2rqb s SER 916 CO -0.04 -0.02 1.64 1.23 1.20 0.00 0.00 173.24 177.25 2rqb h GLY 917 N 1.69 -0.16 1.90 9.45 0.00 -1.55 0.19 103.07 114.59 2rqb h GLY 917 Ca -0.47 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.14 2rqb h GLY 917 CO 0.61 -0.19 0.04 1.05 0.00 0.00 0.00 176.54 178.05 2rqb h GLU 918 N -0.25 0.00 -0.99 4.80 -0.00 -1.61 0.16 114.58 116.70 2rqb h GLU 918 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.14 2rqb h GLU 918 Cb 0.43 0.00 -0.20 0.00 -0.00 0.00 0.00 28.75 28.97 2rqb h GLU 918 CO -0.33 0.00 0.43 -3.47 -0.00 0.00 0.00 179.01 175.64 2rqb n ASP 919 N -3.83 3.54 -4.18 3.06 -0.08 0.63 -4.87 116.55 110.81 2rqb n ASP 919 Ca -0.02 -3.07 -0.14 0.00 -1.51 0.00 0.00 54.79 50.05 2rqb n ASP 919 Cb 0.13 -0.73 -0.11 0.00 2.34 0.00 0.00 41.12 42.76 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2rqb s ILE 920 N -2.24 0.93 0.22 5.18 -1.09 0.57 -4.59 121.20 120.18 2rqb s ILE 920 Ca 0.39 -1.72 0.09 0.00 -2.23 0.00 0.00 60.65 57.17 2rqb s ILE 920 Cb 0.32 -1.45 -0.05 0.00 -1.58 0.00 0.00 42.46 39.71 2rqb s ILE 920 CO 0.08 -0.62 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.00 2rqb s HIS 921 N -2.69 1.86 0.23 3.97 3.76 -1.20 -4.76 115.29 116.46 2rqb s HIS 921 Ca 0.07 -0.50 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 2rqb s HIS 921 Cb -0.01 -0.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 2rqb s HIS 921 CO -0.01 0.44 -0.22 0.08 -0.85 0.00 0.00 174.74 174.19 2rqb s VAL 922 N -2.75 2.37 -0.15 -0.90 1.01 -1.26 -3.40 120.40 115.33 2rqb s VAL 922 Ca 0.23 -2.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.03 2rqb s VAL 922 Cb -0.02 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2rqb s VAL 922 CO 0.09 -0.24 -0.04 -0.63 0.00 0.00 0.00 175.10 174.27 2rqb s ILE 923 N -2.04 0.98 -1.04 2.22 1.01 0.53 -0.30 121.20 122.55 2rqb s ILE 923 Ca 0.24 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 2rqb s ILE 923 Cb -0.07 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.28 2rqb s ILE 923 CO 0.12 0.15 0.20 -0.62 0.00 0.00 0.00 174.94 174.79 2rqb n GLU 924 N 4.93 -2.78 -3.10 2.79 -0.58 -1.26 -0.35 120.64 120.29 2rqb n GLU 924 Ca -0.11 0.49 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2rqb n GLU 924 Cb 0.48 -5.12 -0.02 0.00 -0.57 0.00 0.00 31.44 26.21 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2rqb n LYS 925 N -3.15 -2.35 0.00 3.49 4.01 -1.26 -4.54 118.16 114.36 2rqb n LYS 925 Ca -0.08 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2rqb n LYS 925 Cb 0.57 -4.59 0.00 0.00 -0.51 0.00 0.00 35.03 30.50 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 -2.97 0.00 -4.15 1.97 0.00 0.53 -5.06 117.12 107.44 2rqb n MET 926 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.39 2rqb n MET 926 Cb 0.49 -0.55 -0.11 0.00 0.00 0.00 0.00 33.22 33.05 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 -1.54 3.15 -0.46 3.17 3.76 0.47 -4.98 115.29 118.86 2rqb s HIS 927 Ca 0.00 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 54.67 2rqb s HIS 927 Cb 0.00 -2.04 0.09 0.00 1.11 0.00 0.00 32.58 31.74 2rqb s HIS 927 CO 0.00 0.04 0.35 -1.01 -0.85 0.00 0.00 174.74 173.27 2rqb s HIS 928 N 0.45 3.31 0.10 1.40 0.09 -1.26 -0.35 115.29 119.03 2rqb s HIS 928 Ca 0.00 -1.36 0.06 0.00 -0.00 0.00 0.00 55.06 53.77 2rqb s HIS 928 Cb -0.13 -3.24 -0.04 0.00 -0.00 0.00 0.00 32.58 29.16 2rqb s HIS 928 CO 0.02 -0.88 -0.07 0.14 -0.00 0.00 0.00 174.74 173.94 2rqb s VAL 929 N 1.51 3.58 -0.57 -0.90 -7.23 -1.22 -3.66 120.40 111.92 2rqb s VAL 929 Ca 0.04 -1.16 -0.08 0.00 -1.81 0.00 0.00 61.98 58.96 2rqb s VAL 929 Cb -0.25 -2.68 0.15 0.00 0.56 0.00 0.00 36.38 34.16 2rqb s VAL 929 CO 0.03 0.13 0.44 0.21 -0.31 0.00 0.00 175.10 175.59 2rqb s ASN 930 N -2.21 5.77 -0.16 4.85 3.84 0.15 -3.27 114.94 123.92 2rqb s ASN 930 Ca 0.23 -2.27 -0.04 0.00 0.21 0.00 0.00 52.86 50.99 2rqb s ASN 930 Cb -0.11 -2.00 -0.07 0.00 -0.55 0.00 0.00 41.25 38.51 2rqb s ASN 930 CO 0.15 -0.59 2.89 0.23 -2.79 0.00 0.00 177.10 176.98 2rqb n MET 931 N 4.41 1.88 -4.02 0.43 2.81 -1.26 -4.08 117.12 117.29 2rqb n MET 931 Ca -0.00 -1.22 -0.35 0.00 -1.81 0.00 0.00 57.70 54.32 2rqb n MET 931 Cb 0.41 -1.79 -0.11 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.44 4.37 -0.00 2.03 2.01 -1.26 -5.00 115.64 117.35 2rqb s THR 932 Ca 0.47 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 2rqb s THR 932 Cb 0.26 -2.98 -0.22 0.00 0.01 0.00 0.00 72.50 69.57 2rqb s THR 932 CO -0.06 0.42 1.12 1.55 -0.69 0.00 0.00 174.62 176.97 2rqb h PRO 933 N 7.27 0.36 -0.09 4.92 0.13 -1.97 -3.17 132.00 139.44 2rqb h PRO 933 Ca -0.36 -0.34 0.03 0.00 -0.87 0.00 0.00 66.00 64.45 2rqb h PRO 933 Cb 1.18 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2rqb h PRO 933 CO 0.64 1.01 0.07 1.05 -0.23 0.00 0.00 178.00 180.54 2rqb h GLU 934 N -0.17 0.00 0.00 0.86 4.11 -1.97 0.19 114.58 117.60 2rqb h GLU 934 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2rqb h GLU 934 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2rqb h GLU 934 CO 0.09 0.00 0.00 0.35 0.07 0.00 0.00 179.01 179.52 2rqb h PHE 935 N 0.00 0.00 0.00 2.06 3.57 -1.81 -1.87 116.94 118.89 2rqb h PHE 935 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2rqb h PHE 935 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 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 -0.27 1.11 2.10 -0.68 0.77 116.57 119.60 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 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 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 -2.66 2.10 -0.00 0.07 1.02 -0.70 -4.15 120.64 116.31 2rqb n GLU 937 Ca -0.00 -1.95 0.05 0.00 -0.02 0.00 0.00 57.16 55.23 2rqb n GLU 937 Cb 0.17 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.07 0.42 -4.23 -4.62 4.77 0.18 -4.99 117.00 109.61 2rqb n LEU 938 Ca 0.14 -0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 55.48 2rqb n LEU 938 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2rqb n LEU 938 CO 0.12 0.10 -0.49 -0.72 -1.33 0.00 0.00 177.39 175.07 2rqb s TYR 939 N -2.09 1.52 -0.03 -1.77 -0.85 -0.70 -4.12 117.35 109.30 2rqb s TYR 939 Ca 0.03 -0.43 0.05 0.00 -0.52 0.00 0.00 57.07 56.20 2rqb s TYR 939 Cb 0.08 -0.85 -0.01 0.00 0.38 0.00 0.00 41.96 41.56 2rqb s TYR 939 CO 0.43 0.12 -0.18 0.42 -1.52 0.00 0.00 175.55 174.82 2rqb s ILE 940 N -1.15 1.48 -0.13 -3.49 1.01 0.23 -4.84 121.20 114.31 2rqb s ILE 940 Ca 0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2rqb s ILE 940 Cb -0.10 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2rqb s ILE 940 CO 0.03 0.42 0.04 -0.69 0.00 0.00 0.00 174.94 174.74 2rqb s VAL 941 N -0.25 4.65 -0.24 2.92 1.01 -1.26 -0.58 120.40 126.64 2rqb s VAL 941 Ca 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2rqb s VAL 941 Cb -0.09 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2rqb s VAL 941 CO 0.01 0.56 0.02 -0.13 0.00 0.00 0.00 175.10 175.55 2rqb s ARG 942 N -0.44 3.45 -0.65 2.72 3.00 -1.08 -4.99 118.95 120.97 2rqb s ARG 942 Ca 0.09 -0.59 -0.35 0.00 0.00 0.00 0.00 55.73 54.88 2rqb s ARG 942 Cb -0.12 -3.18 -0.17 0.00 0.00 0.00 0.00 34.95 31.48 2rqb s ARG 942 CO 0.02 -0.22 2.40 -1.91 0.00 0.00 0.00 175.30 175.58 2rqb n GLU 943 N 4.86 0.39 -3.67 3.54 2.13 -1.26 -4.10 120.64 122.52 2rqb n GLU 943 Ca -0.17 0.07 -0.09 0.00 0.66 0.00 0.00 57.16 57.63 2rqb n GLU 943 Cb 0.51 -1.98 -0.09 0.00 0.27 0.00 0.00 31.44 30.14 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 8.26 -0.69 0.00 4.31 2.47 -1.26 -5.01 114.94 123.02 2rqb s ASN 944 Ca 1.21 1.16 0.23 0.00 0.42 0.00 0.00 52.86 55.88 2rqb s ASN 944 Cb -1.08 1.09 0.15 0.00 -1.45 0.00 0.00 41.25 39.95 2rqb s ASN 944 CO 0.50 -0.21 1.17 2.29 -3.72 0.00 0.00 177.10 177.13 2rqb n LYS 945 N 4.38 0.62 0.10 0.43 2.85 -1.26 -3.98 118.16 121.29 2rqb n LYS 945 Ca -0.21 -0.48 0.08 0.00 -1.05 0.00 0.00 58.31 56.66 2rqb n LYS 945 Cb 0.56 -1.49 0.40 0.00 -0.65 0.00 0.00 35.03 33.85 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 -0.77 1.30 -0.11 0.58 0.00 -1.26 -2.81 120.51 117.44 2rqb n ALA 946 Ca 0.08 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 2rqb n ALA 946 Cb 0.39 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.99 1.91 -4.79 0.00 7.99 -1.26 -4.97 117.00 113.90 2rqb n LEU 947 Ca 0.01 0.33 -0.36 0.00 -0.01 0.00 0.00 56.01 55.97 2rqb n LEU 947 Cb 0.10 -0.76 -0.06 0.00 -0.11 0.00 0.00 43.42 42.60 2rqb n LEU 947 CO 0.11 0.09 0.68 0.00 -1.51 0.00 0.00 177.39 176.75 2rqb s GLN 948 N -2.72 4.39 -0.00 3.23 1.03 -1.12 -4.92 119.66 119.54 2rqb s GLN 948 Ca -0.32 1.35 0.01 0.00 0.04 0.00 0.00 55.36 56.44 2rqb s GLN 948 Cb 0.09 -2.61 -0.00 0.00 0.03 0.00 0.00 33.01 30.52 2rqb s GLN 948 CO 0.44 0.09 -0.03 0.15 -2.54 0.00 0.00 175.29 173.40 2rqb s LYS 949 N -2.40 0.24 0.00 9.60 1.02 -1.26 -4.75 119.74 122.19 2rqb s LYS 949 Ca 0.55 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.41 2rqb s LYS 949 Cb -0.18 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.91 2rqb s LYS 949 CO 0.23 0.06 0.54 1.63 -0.92 0.00 0.00 175.35 176.89 2rqb n LYS 950 N 2.95 0.00 -1.53 1.68 5.02 -1.26 -4.32 118.16 120.70 2rqb n LYS 950 Ca -0.13 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 2rqb n LYS 950 Cb 0.59 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqb n ALA 952 N 13.17 0.00 -0.03 0.00 0.00 -1.26 -5.03 120.51 127.36 2rqb n ALA 952 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 2rqb n ALA 952 Cb 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 2rqb n ALA 952 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rqb n ASP 953 N 0.00 2.58 -4.13 0.00 8.00 -1.26 -4.85 116.55 116.89 2rqb n ASP 953 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2rqb n ASP 953 Cb 0.00 1.02 -0.10 0.00 -0.02 0.00 0.00 41.12 42.02 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2rqb s TYR 954 N -2.42 3.49 0.24 1.24 2.02 -1.26 -4.85 117.35 115.81 2rqb s TYR 954 Ca -0.04 -2.48 -0.30 0.00 -0.37 0.00 0.00 57.07 53.88 2rqb s TYR 954 Cb 0.04 -3.27 -0.10 0.00 -0.40 0.00 0.00 41.96 38.23 2rqb s TYR 954 CO 0.42 -0.91 1.37 -1.14 -1.57 0.00 0.00 175.55 173.71 2rqb s GLN 955 N 0.54 4.33 0.24 -0.62 -0.44 -1.09 -4.69 119.66 117.93 2rqb s GLN 955 Ca 0.13 2.19 0.09 0.00 -2.50 0.00 0.00 55.36 55.27 2rqb s GLN 955 Cb -0.21 -3.13 -0.04 0.00 -1.64 0.00 0.00 33.01 27.98 2rqb s GLN 955 CO -0.04 -0.31 -0.03 0.42 0.50 0.00 0.00 175.29 175.83 2rqb s ILE 956 N -0.16 3.39 -0.09 -2.34 -1.09 -1.26 0.19 121.20 119.84 2rqb s ILE 956 Ca 0.56 -1.83 0.16 0.00 -2.23 0.00 0.00 60.65 57.32 2rqb s ILE 956 Cb -0.39 -2.77 -0.23 0.00 -1.58 0.00 0.00 42.46 37.48 2rqb s ILE 956 CO 0.43 -0.29 0.22 0.59 -1.23 0.00 0.00 174.94 174.66 2rqb n ASN 957 N -0.61 1.08 0.00 3.58 3.02 -0.75 -4.63 115.26 116.95 2rqb n ASN 957 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2rqb n ASN 957 Cb 0.58 1.36 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 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 1.76 -0.49 3.13 7.41 0.00 -1.26 -4.41 105.19 111.33 2rqb n GLY 958 Ca -0.14 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.94 1.92 -0.04 1.61 2.12 -1.26 -3.42 118.70 117.69 2rqb s GLU 959 Ca 0.00 -0.61 -0.16 0.00 0.36 0.00 0.00 54.97 54.56 2rqb s GLU 959 Cb 0.00 -1.62 -0.05 0.00 0.26 0.00 0.00 34.13 32.72 2rqb s GLU 959 CO 0.00 0.21 0.43 0.96 -0.54 0.00 0.00 175.26 176.32 2rqb s ILE 960 N 0.16 5.07 0.01 -3.70 -4.36 -1.22 -2.63 121.20 114.54 2rqb s ILE 960 Ca -0.07 0.88 0.01 0.00 -0.26 0.00 0.00 60.65 61.21 2rqb s ILE 960 Cb -0.13 -3.75 -0.01 0.00 1.25 0.00 0.00 42.46 39.82 2rqb s ILE 960 CO 0.03 0.49 -0.03 0.27 0.24 0.00 0.00 174.94 175.94 2rqb s ILE 961 N -0.45 0.20 0.70 8.37 -4.36 0.25 -1.04 121.20 124.86 2rqb s ILE 961 Ca 0.24 -0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 59.98 2rqb s ILE 961 Cb -0.16 -0.26 0.18 0.00 1.25 0.00 0.00 42.46 43.47 2rqb s ILE 961 CO 0.12 -0.22 0.48 0.00 0.24 0.00 0.00 174.94 175.56 2rqb h LYS 963 N 0.00 -0.21 -0.69 0.00 1.79 -1.92 -1.64 116.57 113.90 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 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.31 2rqb h LYS 963 CO 0.13 -0.11 0.46 0.00 -1.08 0.00 0.00 179.45 178.84 2rqb n GLY 965 N -1.48 1.07 3.62 0.00 0.00 -0.62 -5.11 105.19 102.68 2rqb n GLY 965 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.03 4.04 -0.84 1.61 2.00 -1.26 -4.73 119.66 120.46 2rqb s GLN 966 Ca 0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 55.36 53.15 2rqb s GLN 966 Cb 0.00 -3.63 -0.20 0.00 0.80 0.00 0.00 33.01 29.99 2rqb s GLN 966 CO 0.00 -0.20 2.35 0.00 -0.50 0.00 0.00 175.29 176.94 2rqb n ALA 967 N 5.06 0.60 -0.21 1.58 0.00 -1.26 -1.07 120.51 125.22 2rqb n ALA 967 Ca -0.10 -1.16 -0.07 0.00 0.00 0.00 0.00 53.44 52.11 2rqb n ALA 967 Cb 0.51 -2.98 0.06 0.00 0.00 0.00 0.00 19.45 17.04 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 12.63 1.12 0.00 0.00 6.55 -1.42 -3.43 115.95 131.39 2rqb h TRP 968 Ca -0.01 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.67 2rqb h TRP 968 Cb 1.07 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 2rqb h TRP 968 CO 1.21 0.96 0.00 0.41 -1.05 0.00 0.00 178.44 179.97 2rqb n GLY 969 N -0.55 -0.33 3.26 1.49 0.00 -1.15 0.27 105.19 108.18 2rqb n GLY 969 Ca 0.04 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 0.09 -0.51 2.61 -4.23 0.88 -3.39 115.64 111.08 2rqb s THR 970 Ca 0.00 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 2rqb s THR 970 Cb 0.00 -1.04 0.12 0.00 1.34 0.00 0.00 72.50 72.92 2rqb s THR 970 CO 0.00 -0.40 0.44 -0.32 -0.54 0.00 0.00 174.62 173.81 2rqb s MET 971 N -2.96 2.83 0.70 3.99 1.75 -1.22 0.53 119.30 124.92 2rqb s MET 971 Ca -0.02 -1.71 -0.10 0.00 -1.25 0.00 0.00 55.69 52.62 2rqb s MET 971 Cb 0.01 -4.17 0.03 0.00 2.84 0.00 0.00 34.83 33.54 2rqb s MET 971 CO -0.06 -1.27 1.06 -1.64 -0.65 0.00 0.00 175.02 172.46 2rqb s MET 972 N 1.53 2.60 -0.05 4.11 -1.94 -0.68 -1.81 119.30 123.06 2rqb s MET 972 Ca 0.04 0.19 -0.04 0.00 -1.71 0.00 0.00 55.69 54.17 2rqb s MET 972 Cb -0.28 -2.08 0.02 0.00 2.01 0.00 0.00 34.83 34.49 2rqb s MET 972 CO 0.02 -1.10 0.12 0.08 -0.01 0.00 0.00 175.02 174.13 2rqb s VAL 973 N -3.31 -0.01 -0.31 -6.03 1.01 0.50 -2.56 120.40 109.69 2rqb s VAL 973 Ca 0.58 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.61 2rqb s VAL 973 Cb -0.11 -0.19 0.09 0.00 0.00 0.00 0.00 36.38 36.18 2rqb s VAL 973 CO 0.49 0.01 0.06 -2.28 0.00 0.00 0.00 175.10 173.38 2rqb s HIS 974 N 0.27 2.46 -2.08 5.22 5.04 -1.17 -2.67 115.29 122.36 2rqb s HIS 974 Ca -0.02 -2.14 0.00 0.00 -1.54 0.00 0.00 55.06 51.37 2rqb s HIS 974 Cb -0.03 -2.08 0.00 0.00 0.04 0.00 0.00 32.58 30.51 2rqb s HIS 974 CO -0.01 -0.88 0.00 1.63 -2.34 0.00 0.00 174.74 173.14 2rqb n LYS 975 N 4.63 -1.48 0.00 2.88 5.02 -1.26 -0.30 118.16 127.65 2rqb n LYS 975 Ca -0.01 1.16 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2rqb n LYS 975 Cb 0.42 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -0.46 1.13 3.91 0.72 0.00 -1.26 -5.10 105.19 104.13 2rqb n GLY 976 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 2.98 -0.27 0.99 2.96 0.59 -5.06 118.68 120.87 2rqb s LEU 977 Ca 0.00 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 2rqb s LEU 977 Cb 0.00 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.20 2rqb s LEU 977 CO 0.00 -1.33 -0.10 -1.81 -1.32 0.00 0.00 176.35 171.79 2rqb s ASP 978 N -4.39 4.51 -0.30 3.68 -0.00 -1.26 -3.04 116.67 115.87 2rqb s ASP 978 Ca 0.57 -1.38 -0.03 0.00 -0.00 0.00 0.00 52.55 51.71 2rqb s ASP 978 Cb -0.11 -1.57 0.11 0.00 -0.00 0.00 0.00 42.92 41.35 2rqb s ASP 978 CO 0.47 -0.20 0.14 -0.76 -0.00 0.00 0.00 175.17 174.83 2rqb s LEU 979 N 1.12 0.71 -0.23 1.23 1.02 -1.06 -4.89 118.68 116.59 2rqb s LEU 979 Ca -0.08 -1.48 -0.29 0.00 0.02 0.00 0.00 54.13 52.29 2rqb s LEU 979 Cb -0.20 -0.39 -0.01 0.00 0.02 0.00 0.00 46.19 45.62 2rqb s LEU 979 CO -0.04 -0.41 1.31 -2.16 0.02 0.00 0.00 176.35 175.06 2rqb s PRO 980 N 1.87 4.06 -0.48 1.29 0.04 -1.26 -1.69 135.00 138.84 2rqb s PRO 980 Ca 0.11 1.49 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 2rqb s PRO 980 Cb -0.17 -3.84 0.05 0.00 0.04 0.00 0.00 34.50 30.58 2rqb s PRO 980 CO -0.29 -0.94 0.54 0.00 0.04 0.00 0.00 177.00 176.36 2rqb s LEU 982 N 2.35 3.42 -0.13 0.00 1.02 -1.24 -0.08 118.68 124.01 2rqb s LEU 982 Ca 0.13 0.51 0.01 0.00 0.02 0.00 0.00 54.13 54.80 2rqb s LEU 982 Cb -0.19 -3.36 0.02 0.00 0.02 0.00 0.00 46.19 42.67 2rqb s LEU 982 CO 0.12 -0.90 -0.14 -0.54 0.02 0.00 0.00 176.35 174.90 2rqb s LYS 983 N -4.79 2.21 0.61 1.70 1.02 0.14 -4.89 119.74 115.74 2rqb s LYS 983 Ca 0.51 -0.54 0.39 0.00 0.02 0.00 0.00 55.97 56.36 2rqb s LYS 983 Cb -0.10 -1.98 2.14 0.00 -0.52 0.00 0.00 37.83 37.36 2rqb s LYS 983 CO 0.42 -0.17 2.20 0.82 -0.92 0.00 0.00 175.35 177.70 2rqb h ILE 984 N 6.03 0.00 0.00 2.17 2.04 -1.84 0.38 117.51 126.29 2rqb h ILE 984 Ca -0.35 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2rqb h ILE 984 Cb 1.15 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2rqb h ILE 984 CO 0.51 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.55 2rqb n ARG 985 N -2.91 0.22 0.00 2.37 1.85 0.12 -1.86 116.66 116.45 2rqb n ARG 985 Ca -0.03 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2rqb n ARG 985 Cb 0.10 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.32 0.69 -3.81 2.89 3.02 0.13 -4.99 115.26 111.87 2rqb n ASN 986 Ca 0.08 -0.90 -0.23 0.00 -0.03 0.00 0.00 54.58 53.50 2rqb n ASN 986 Cb 0.15 0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.14 0.73 -4.13 3.10 3.01 -0.78 -0.72 117.46 118.54 2rqb n PHE 987 Ca 0.00 -1.80 -0.09 0.00 1.01 0.00 0.00 57.45 56.57 2rqb n PHE 987 Cb 0.04 -0.21 -0.10 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.36 0.29 -0.15 -4.37 1.01 -0.47 -4.49 120.40 109.86 2rqb s VAL 988 Ca 0.02 -1.87 0.02 0.00 0.00 0.00 0.00 61.98 60.15 2rqb s VAL 988 Cb 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2rqb s VAL 988 CO 0.02 -0.80 -0.21 -0.69 0.00 0.00 0.00 175.10 173.42 2rqb s VAL 989 N -3.89 1.99 -0.20 2.92 1.01 -0.50 -1.38 120.40 120.34 2rqb s VAL 989 Ca 0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2rqb s VAL 989 Cb 0.07 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2rqb s VAL 989 CO -0.05 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 2rqb s VAL 990 N 0.96 3.12 -0.26 2.92 1.01 -0.92 -0.49 120.40 126.74 2rqb s VAL 990 Ca -0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2rqb s VAL 990 Cb -0.15 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2rqb s VAL 990 CO -0.05 0.46 0.61 -0.36 0.00 0.00 0.00 175.10 175.76 2rqb s PHE 991 N 1.29 3.27 -0.58 5.22 0.08 0.12 -2.38 117.98 124.99 2rqb s PHE 991 Ca 0.03 0.76 0.24 0.00 0.12 0.00 0.00 56.93 58.09 2rqb s PHE 991 Cb -0.14 -2.85 0.42 0.00 -0.57 0.00 0.00 43.02 39.89 2rqb s PHE 991 CO -0.04 -0.34 1.44 -0.22 -0.10 0.00 0.00 175.22 175.97 2rqb h LYS 992 N 7.95 0.00 0.00 0.44 3.64 -0.91 -2.34 116.57 125.35 2rqb h LYS 992 Ca -0.27 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.65 2rqb h LYS 992 Cb 1.12 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 2rqb h LYS 992 CO 0.77 0.00 -2.54 0.09 -2.27 0.00 0.00 179.45 175.50 2rqb n ASN 993 N -2.36 1.96 0.00 4.20 5.03 -1.26 -4.26 115.26 118.57 2rqb n ASN 993 Ca 0.04 0.33 0.07 0.00 0.87 0.00 0.00 54.58 55.89 2rqb n ASN 993 Cb 0.46 -0.82 0.30 0.00 -1.02 0.00 0.00 39.78 38.71 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 -4.24 0.00 -3.75 6.41 5.15 -1.26 -4.28 115.26 113.30 2rqb n ASN 994 Ca -0.54 0.49 -0.26 0.00 -0.60 0.00 0.00 54.58 53.66 2rqb n ASN 994 Cb 0.89 -0.49 0.02 0.00 -0.53 0.00 0.00 39.78 39.67 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 -1.49 -2.76 -3.49 1.20 3.41 -0.92 -4.96 113.62 104.61 2rqb n SER 995 Ca 0.03 -0.95 -0.09 0.00 -0.26 0.00 0.00 58.87 57.61 2rqb n SER 995 Cb 0.16 -3.55 -0.01 0.00 -0.26 0.00 0.00 64.21 60.55 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 -3.66 0.00 -0.13 6.66 2.01 -1.00 -5.02 115.64 114.50 2rqb s THR 996 Ca 0.21 -1.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 2rqb s THR 996 Cb -0.07 -2.41 0.04 0.00 0.01 0.00 0.00 72.50 70.08 2rqb s THR 996 CO 0.85 0.00 0.00 -0.75 -0.69 0.00 0.00 174.62 174.03 2rqb s LYS 997 N -3.27 0.79 0.27 4.92 2.20 -1.26 0.12 119.74 123.50 2rqb s LYS 997 Ca 0.16 -0.18 0.08 0.00 -0.36 0.00 0.00 55.97 55.68 2rqb s LYS 997 Cb -0.04 -1.54 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 2rqb s LYS 997 CO 0.10 -0.43 0.10 0.15 -0.36 0.00 0.00 175.35 174.91 2rqb s LYS 998 N 1.88 2.57 -0.26 4.03 3.01 0.36 -5.00 119.74 126.32 2rqb s LYS 998 Ca 0.02 -1.28 0.00 0.00 -1.01 0.00 0.00 55.97 53.71 2rqb s LYS 998 Cb -0.14 -2.34 0.08 0.00 -1.01 0.00 0.00 37.83 34.42 2rqb s LYS 998 CO -0.07 0.35 0.01 -1.14 0.51 0.00 0.00 175.35 175.01 2rqb s GLN 999 N -3.77 1.23 0.06 1.68 0.74 -1.26 -1.41 119.66 116.93 2rqb s GLN 999 Ca 0.33 -1.06 0.00 0.00 0.05 0.00 0.00 55.36 54.68 2rqb s GLN 999 Cb -0.07 -2.46 0.01 0.00 1.10 0.00 0.00 33.01 31.60 2rqb s GLN 999 CO 0.22 -0.75 0.09 0.66 -0.55 0.00 0.00 175.29 174.96 2rqb n TYR 1000N 4.71 -3.25 0.00 1.67 4.02 -1.26 -5.03 117.16 118.02 2rqb n TYR 1000Ca -0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 2rqb n TYR 1000Cb 0.44 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 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 -1.16 0.00 -4.41 -0.72 2.85 -1.26 -4.22 118.16 109.24 2rqb n LYS 1001Ca 0.02 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.02 2rqb n LYS 1001Cb 0.05 -0.43 -0.11 0.00 -0.65 0.00 0.00 35.03 33.89 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 -1.88 1.49 0.52 -1.58 1.02 -1.26 0.14 119.74 118.18 2rqb s LYS 1002Ca 0.00 -1.53 0.29 0.00 0.02 0.00 0.00 55.97 54.74 2rqb s LYS 1002Cb 0.00 -1.72 1.39 0.00 -0.52 0.00 0.00 37.83 36.99 2rqb s LYS 1002CO 0.00 0.36 2.03 -1.49 -0.92 0.00 0.00 175.35 175.33 2rqb h TRP 1003N 3.08 0.00 0.00 3.18 4.06 -1.96 -0.94 115.95 123.37 2rqb h TRP 1003Ca -0.45 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.46 2rqb h TRP 1003Cb 1.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.37 2rqb h TRP 1003CO 0.70 0.12 -0.23 -0.24 -3.56 0.00 0.00 178.44 175.24 2rqb h VAL 1004N 0.00 1.01 0.00 1.49 3.04 -1.99 -0.48 116.25 119.32 2rqb h VAL 1004Ca -0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2rqb h VAL 1004Cb 0.43 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2rqb h VAL 1004CO 0.02 0.22 0.00 -0.33 -1.01 0.00 0.00 177.57 176.47 2rqb h GLU 1005N 0.00 0.00 -6.31 4.17 4.39 -1.57 -3.43 114.58 111.83 2rqb h GLU 1005Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2rqb h GLU 1005Cb 0.44 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2rqb h GLU 1005CO 0.03 0.00 1.11 -1.17 -1.16 0.00 0.00 179.01 177.82 2rqb s LEU 1006N -5.06 3.83 0.00 1.33 2.96 -0.19 -4.84 118.68 116.71 2rqb s LEU 1006Ca 0.06 1.47 0.24 0.00 -0.22 0.00 0.00 54.13 55.68 2rqb s LEU 1006Cb 0.09 -3.53 1.39 0.00 0.50 0.00 0.00 46.19 44.64 2rqb s LEU 1006CO 0.51 -1.29 1.79 -0.81 -1.32 0.00 0.00 176.35 175.23 2rqb n PRO 1007N 7.71 0.69 -3.39 0.98 -0.04 -1.26 -4.71 135.00 134.98 2rqb n PRO 1007Ca 0.18 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.28 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 -2.08 5.11 0.74 0.52 1.09 -1.26 -4.85 121.20 120.46 2rqb s ILE 1008Ca 0.34 0.91 -0.12 0.00 -1.10 0.00 0.00 60.65 60.68 2rqb s ILE 1008Cb 0.16 -3.78 0.04 0.00 -1.06 0.00 0.00 42.46 37.82 2rqb s ILE 1008CO 0.29 0.43 1.10 0.28 -0.10 0.00 0.00 174.94 176.93 2rqb s THR 1009N -0.07 3.32 0.14 2.92 -1.32 -1.26 -5.00 115.64 114.37 2rqb s THR 1009Ca 0.25 0.48 0.02 0.00 -1.21 0.00 0.00 61.69 61.23 2rqb s THR 1009Cb -0.16 -2.98 -0.04 0.00 -1.51 0.00 0.00 72.50 67.80 2rqb s THR 1009CO 0.11 -0.51 -0.04 -0.36 -2.21 0.00 0.00 174.62 171.61 2rqb s PHE 1010N -2.74 1.10 0.00 9.09 0.40 -1.26 -4.53 117.98 120.04 2rqb s PHE 1010Ca 0.63 -0.93 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2rqb s PHE 1010Cb -0.18 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.74 2rqb s PHE 1010CO 0.52 -0.13 0.00 -0.35 0.70 0.00 0.00 175.22 175.96 2rqb n PRO 1011N -0.16 0.31 -3.38 0.24 -0.04 -1.26 -5.03 135.00 125.69 2rqb n PRO 1011Ca -0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 2rqb n PRO 1011Cb 0.62 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.89 -0.16 3.54 -0.87 -1.26 -4.24 114.94 111.59 2rqb s ASN 1012Ca 0.00 -0.26 0.02 0.00 -1.57 0.00 0.00 52.86 51.04 2rqb s ASN 1012Cb 0.00 0.81 0.01 0.00 -0.02 0.00 0.00 41.25 42.05 2rqb s ASN 1012CO 0.00 -0.34 -0.20 -0.22 -2.57 0.00 0.00 177.10 173.77 2rqb s LEU 1013N 2.45 2.18 -0.09 0.60 0.20 0.59 -4.89 118.68 119.72 2rqb s LEU 1013Ca 0.10 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.32 2rqb s LEU 1013Cb -0.14 -1.48 0.02 0.00 -0.43 0.00 0.00 46.19 44.16 2rqb s LEU 1013CO -0.23 0.05 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.19 2rqb s ASP 1014N 0.99 1.86 0.26 3.68 2.15 -1.26 -4.04 116.67 120.31 2rqb s ASP 1014Ca -0.02 -0.24 0.03 0.00 0.43 0.00 0.00 52.55 52.74 2rqb s ASP 1014Cb -0.15 -0.72 0.67 0.00 -0.30 0.00 0.00 42.92 42.42 2rqb s ASP 1014CO -0.05 -0.10 1.29 0.00 -0.17 0.00 0.00 175.17 176.14 2rqb n TYR 1015N 4.67 0.56 -0.36 -5.34 0.18 -1.26 0.11 117.16 115.73 2rqb n TYR 1015Ca -0.15 0.99 0.05 0.00 1.88 0.00 0.00 57.90 60.67 2rqb n TYR 1015Cb 0.50 -1.14 0.12 0.00 -0.38 0.00 0.00 39.34 38.44 2rqb n TYR 1015CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2rqb n SER 1016N -5.15 -0.39 -0.33 9.48 2.88 -1.26 0.11 113.62 118.96 2rqb n SER 1016Ca 0.20 1.68 0.13 0.00 -1.33 0.00 0.00 58.87 59.56 2rqb n SER 1016Cb 0.67 -0.49 0.26 0.00 -0.75 0.00 0.00 64.21 63.91 2rqb n SER 1016CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2rqb n GLU 1017N -5.57 -0.08 -3.95 -1.46 1.02 0.30 -3.35 120.64 107.55 2rqb n GLU 1017Ca 0.15 1.42 -0.31 0.00 -0.02 0.00 0.00 57.16 58.40 2rqb n GLU 1017Cb 0.48 -2.24 -0.15 0.00 -0.02 0.00 0.00 31.44 29.50 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqb n LEU 1020N 1.61 2.91 -0.63 0.00 4.77 -1.26 -4.42 117.00 119.99 2rqb n LEU 1020Ca 0.25 -0.11 0.48 0.00 -0.03 0.00 0.00 56.01 56.60 2rqb n LEU 1020Cb 0.37 -0.69 0.74 0.00 -2.33 0.00 0.00 43.42 41.51 2rqb n LEU 1020CO 0.42 0.84 1.37 0.49 -1.33 0.00 0.00 177.39 179.17 2rqb n PHE 1021N -3.09 0.00 -1.46 -1.77 3.72 -1.26 -4.34 117.46 109.26 2rqb n PHE 1021Ca -0.36 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.59 2rqb n PHE 1021Cb 0.89 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.88 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 -3.73 1.18 -0.00 4.37 2.88 -1.26 -4.63 113.62 112.44 2rqb n SER 1022Ca 0.40 0.15 -0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2rqb n SER 1022Cb 1.85 -1.13 -0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 11.12 3.59 -4.35 -3.46 2.03 -1.26 -5.07 116.55 119.15 2rqb n ASP 1023Ca 0.53 -0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.57 2rqb n ASP 1023Cb 0.17 -0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.73 2rqb n ASP 1023CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2rqb s GLU 1024N -2.00 1.06 0.00 -0.67 1.03 -1.26 -5.29 118.70 111.57 2rqb s GLU 1024Ca -0.00 -0.68 0.00 0.00 0.03 0.00 0.00 54.97 54.32 2rqb s GLU 1024Cb 0.00 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 31.30 2rqb s GLU 1024CO 0.00 -2.03 0.47 -0.25 -1.33 0.00 0.00 175.26 172.12