#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 3.83 0.11 1.61 0.04 -1.26 -5.06 135.00 134.27 2rqb s PRO 892 Ca 0.00 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 2rqb s PRO 892 Cb 0.00 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 2rqb s PRO 892 CO 0.00 -0.41 0.23 -0.51 0.04 0.00 0.00 177.00 176.35 2rqb s LEU 893 N -3.42 1.21 0.00 -3.56 2.01 -1.26 -5.16 118.68 108.50 2rqb s LEU 893 Ca 0.67 -0.69 0.00 0.00 0.01 0.00 0.00 54.13 54.12 2rqb s LEU 893 Cb -0.17 1.15 0.00 0.00 0.01 0.00 0.00 46.19 47.18 2rqb s LEU 893 CO 0.20 -0.79 0.00 0.61 1.01 0.00 0.00 176.35 177.39 2rqb n GLY 894 N -0.12 4.63 3.81 -3.19 0.00 -1.26 -5.19 105.19 103.87 2rqb n GLY 894 Ca -0.13 -1.25 0.02 0.00 0.00 0.00 0.00 46.02 44.66 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rqb s SER 895 N 0.00 -0.02 1.28 1.61 1.04 -1.26 -5.12 113.70 111.22 2rqb s SER 895 Ca 0.00 -0.19 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 2rqb s SER 895 Cb 0.00 0.17 0.22 0.00 0.10 0.00 0.00 66.02 66.51 2rqb s SER 895 CO 0.00 -0.32 0.51 -1.22 0.98 0.00 0.00 173.24 173.19 2rqb n TYR 896 N -0.70 -3.07 -3.86 5.02 4.01 -1.26 -5.08 117.16 112.22 2rqb n TYR 896 Ca -0.02 -0.48 -0.09 0.00 -0.16 0.00 0.00 57.90 57.14 2rqb n TYR 896 Cb 0.61 -0.72 -0.05 0.00 -0.31 0.00 0.00 39.34 38.86 2rqb n TYR 896 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2rqb s LYS 897 N -4.22 1.29 -1.15 -0.72 2.20 -1.26 -4.95 119.74 110.93 2rqb s LYS 897 Ca 0.39 -1.03 -0.06 0.00 -0.36 0.00 0.00 55.97 54.90 2rqb s LYS 897 Cb -0.07 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 2rqb s LYS 897 CO 0.32 -0.51 0.87 0.09 -0.36 0.00 0.00 175.35 175.76 2rqb n ASN 898 N -0.28 -4.35 -3.74 1.43 4.13 -1.26 -5.01 115.26 106.18 2rqb n ASN 898 Ca -0.08 -0.77 -0.16 0.00 1.68 0.00 0.00 54.58 55.24 2rqb n ASN 898 Cb 0.63 -4.63 -0.17 0.00 -1.54 0.00 0.00 39.78 34.07 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 -3.80 0.39 0.00 6.41 3.84 -1.26 -4.48 114.94 116.04 2rqb s ASN 899 Ca 0.28 0.07 0.22 0.00 0.21 0.00 0.00 52.86 53.63 2rqb s ASN 899 Cb -0.06 -0.07 1.30 0.00 -0.55 0.00 0.00 41.25 41.87 2rqb s ASN 899 CO 0.77 -0.17 1.70 -0.81 -2.79 0.00 0.00 177.10 175.80 2rqb n PRO 900 N 4.54 0.75 0.07 0.43 -0.04 -1.26 -2.42 135.00 137.07 2rqb n PRO 900 Ca -0.20 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2rqb n PRO 900 Cb 0.50 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.96 3.54 0.87 -1.94 -1.82 113.55 115.16 2rqb h SER 901 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 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 0.61 -1.11 -0.07 -0.53 0.00 0.00 176.83 175.73 2rqb h LEU 902 N 0.00 0.00-10.02 2.23 3.38 -1.86 -3.46 115.31 105.58 2rqb h LEU 902 Ca -0.10 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.31 2rqb h LEU 902 Cb 1.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2rqb h LEU 902 CO 0.06 0.55 -0.46 0.27 0.09 0.00 0.00 178.44 178.95 2rqb s ILE 903 N -2.94 5.33 0.07 1.22 -4.36 -1.22 0.16 121.20 119.46 2rqb s ILE 903 Ca -0.01 -0.58 -0.07 0.00 -0.26 0.00 0.00 60.65 59.73 2rqb s ILE 903 Cb 0.08 -3.72 -0.01 0.00 1.25 0.00 0.00 42.46 40.07 2rqb s ILE 903 CO 0.79 -0.04 0.15 -0.89 0.24 0.00 0.00 174.94 175.19 2rqb s THR 904 N -1.70 0.15 -0.13 8.37 2.01 -1.10 -3.39 115.64 119.85 2rqb s THR 904 Ca 0.35 -1.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 2rqb s THR 904 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2rqb s THR 904 CO 0.28 -0.68 0.13 -0.36 -0.69 0.00 0.00 174.62 173.30 2rqb s PHE 905 N -3.61 3.53 0.37 4.92 0.08 0.10 -2.73 117.98 120.64 2rqb s PHE 905 Ca 0.03 0.46 0.04 0.00 0.12 0.00 0.00 56.93 57.58 2rqb s PHE 905 Cb 0.04 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2rqb s PHE 905 CO -0.09 0.63 0.16 -0.51 -0.10 0.00 0.00 175.22 175.30 2rqb s LEU 906 N -0.73 1.88 -0.30 -0.37 1.43 -0.52 -1.78 118.68 118.30 2rqb s LEU 906 Ca 0.13 -1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 51.40 2rqb s LEU 906 Cb -0.12 0.06 -0.01 0.00 0.03 0.00 0.00 46.19 46.14 2rqb s LEU 906 CO 0.03 -0.92 0.58 0.00 0.23 0.00 0.00 176.35 176.26 2rqb h LYS 908 N 8.18 -0.56 -0.37 0.00 3.64 -1.25 0.41 116.57 126.62 2rqb h LYS 908 Ca -0.28 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2rqb h LYS 908 Cb 1.13 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 2rqb h LYS 908 CO 0.77 -0.37 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.17 2rqb h ASN 909 N -0.58 -1.66 0.00 4.20 4.21 -1.94 -3.40 115.58 116.42 2rqb h ASN 909 Ca 0.04 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.77 2rqb h ASN 909 Cb 0.68 0.68 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 2rqb h ASN 909 CO -0.41 -0.35 0.00 0.00 -1.29 0.00 0.00 177.43 175.38 2rqb n SER 911 N 0.00 0.00 -4.77 0.00 2.88 0.14 -4.77 113.62 107.10 2rqb n SER 911 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 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 5.19 -0.36 2.46 -7.23 -1.26 -4.57 120.40 114.63 2rqb s VAL 912 Ca 0.00 0.74 -0.28 0.00 -1.81 0.00 0.00 61.98 60.64 2rqb s VAL 912 Cb 0.00 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2rqb s VAL 912 CO 0.00 0.45 2.01 -0.22 -0.31 0.00 0.00 175.10 177.03 2rqb s LEU 913 N -0.08 3.44 -0.04 1.32 1.98 -1.26 -2.63 118.68 121.42 2rqb s LEU 913 Ca 0.21 1.29 -0.01 0.00 -2.89 0.00 0.00 54.13 52.74 2rqb s LEU 913 Cb -0.15 -3.22 -0.26 0.00 0.66 0.00 0.00 46.19 43.21 2rqb s LEU 913 CO 0.09 -2.05 0.70 0.00 -1.89 0.00 0.00 176.35 173.20 2rqb h ALA 914 N 14.76 0.41 -1.18 5.97 0.00 -1.69 -3.49 119.26 134.04 2rqb h ALA 914 Ca -0.33 -1.25 0.33 0.00 0.00 0.00 0.00 54.91 53.66 2rqb h ALA 914 Cb 1.20 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 19.24 2rqb h ALA 914 CO 1.06 1.27 0.93 0.00 0.00 0.00 0.00 179.25 182.51 2rqb s SER 916 N -2.38 5.20 0.22 0.00 0.01 -1.26 0.00 113.70 115.49 2rqb s SER 916 Ca 0.12 -0.28 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 2rqb s SER 916 Cb 0.02 -1.25 0.32 0.00 0.21 0.00 0.00 66.02 65.32 2rqb s SER 916 CO -0.04 0.05 1.67 1.23 0.41 0.00 0.00 173.24 176.56 2rqb h GLY 917 N 2.31 0.72 2.00 3.44 0.00 -1.52 0.66 103.07 110.68 2rqb h GLY 917 Ca -0.47 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2rqb h GLY 917 CO 0.61 -0.19 -0.03 1.05 0.00 0.00 0.00 176.54 177.97 2rqb h GLU 918 N 0.15 0.00 -0.97 4.80 4.11 -1.60 0.62 114.58 121.70 2rqb h GLU 918 Ca 0.34 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.46 2rqb h GLU 918 Cb 0.55 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.62 2rqb h GLU 918 CO -0.52 0.03 0.38 -3.47 0.07 0.00 0.00 179.01 175.51 2rqb n ASP 919 N -4.04 3.58 -4.19 3.06 4.64 0.23 -4.87 116.55 114.96 2rqb n ASP 919 Ca -0.03 -3.01 -0.14 0.00 -1.38 0.00 0.00 54.79 50.23 2rqb n ASP 919 Cb 0.12 -0.71 -0.10 0.00 -1.04 0.00 0.00 41.12 39.38 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2rqb s ILE 920 N -2.19 0.95 0.39 5.18 -1.09 0.21 -4.65 121.20 120.00 2rqb s ILE 920 Ca 0.38 -1.79 0.07 0.00 -2.23 0.00 0.00 60.65 57.08 2rqb s ILE 920 Cb 0.31 -1.53 -0.08 0.00 -1.58 0.00 0.00 42.46 39.58 2rqb s ILE 920 CO 0.08 -0.66 -0.01 -1.00 -1.23 0.00 0.00 174.94 172.11 2rqb s HIS 921 N -2.87 2.46 0.21 3.97 3.76 -1.23 -4.72 115.29 116.86 2rqb s HIS 921 Ca 0.09 -0.65 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 2rqb s HIS 921 Cb -0.00 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.98 2rqb s HIS 921 CO -0.01 0.45 -0.04 0.08 -0.85 0.00 0.00 174.74 174.37 2rqb s VAL 922 N -2.73 1.14 -0.28 -0.90 1.01 -1.26 -3.89 120.40 113.50 2rqb s VAL 922 Ca 0.34 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.27 2rqb s VAL 922 Cb 0.08 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.34 2rqb s VAL 922 CO 0.17 -0.44 0.04 -0.63 0.00 0.00 0.00 175.10 174.24 2rqb s ILE 923 N -3.35 1.31 -1.59 2.22 -1.09 -1.18 -1.09 121.20 116.43 2rqb s ILE 923 Ca 0.25 -1.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.03 2rqb s ILE 923 Cb 0.04 -1.85 0.17 0.00 -1.58 0.00 0.00 42.46 39.24 2rqb s ILE 923 CO 0.07 -0.46 0.42 -1.84 -1.23 0.00 0.00 174.94 171.90 2rqb n GLU 924 N 4.69 -0.79 -4.28 2.79 0.28 -1.26 0.12 120.64 122.20 2rqb n GLU 924 Ca -0.04 0.11 -0.34 0.00 -0.16 0.00 0.00 57.16 56.74 2rqb n GLU 924 Cb 0.43 -3.92 -0.08 0.00 1.43 0.00 0.00 31.44 29.30 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2rqb n LYS 925 N -3.69 -0.85 0.00 3.44 4.76 -1.26 -4.76 118.16 115.80 2rqb n LYS 925 Ca 0.03 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2rqb n LYS 925 Cb 0.43 -3.42 0.00 0.00 -1.84 0.00 0.00 35.03 30.20 2rqb n LYS 925 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rqb n MET 926 N -4.67 0.00 -4.50 1.97 0.00 0.33 -5.12 117.12 105.13 2rqb n MET 926 Ca -0.30 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.15 2rqb n MET 926 Cb 0.68 -0.68 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 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 -1.45 1.78 -0.24 3.17 3.76 -1.12 -5.02 115.29 116.16 2rqb s HIS 927 Ca 0.00 -1.32 -0.02 0.00 -0.15 0.00 0.00 55.06 53.57 2rqb s HIS 927 Cb 0.00 -1.13 0.08 0.00 1.11 0.00 0.00 32.58 32.64 2rqb s HIS 927 CO 0.00 -0.34 0.07 -3.38 -0.85 0.00 0.00 174.74 170.23 2rqb s HIS 928 N -3.22 1.16 -0.15 1.40 -3.43 -1.26 -3.11 115.29 106.67 2rqb s HIS 928 Ca 0.24 -1.14 -0.02 0.00 -0.80 0.00 0.00 55.06 53.34 2rqb s HIS 928 Cb 0.02 -1.23 -0.02 0.00 -1.43 0.00 0.00 32.58 29.92 2rqb s HIS 928 CO 0.15 -0.73 -0.08 0.14 -2.00 0.00 0.00 174.74 172.22 2rqb s VAL 929 N 1.81 3.40 -0.70 -5.38 -7.23 -1.25 -4.07 120.40 106.98 2rqb s VAL 929 Ca 0.04 -0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 59.51 2rqb s VAL 929 Cb -0.17 -2.47 0.14 0.00 0.56 0.00 0.00 36.38 34.44 2rqb s VAL 929 CO -0.17 0.50 0.77 0.21 -0.31 0.00 0.00 175.10 176.10 2rqb s ASN 930 N 0.51 6.41 -0.24 4.85 3.84 -0.05 -3.50 114.94 126.76 2rqb s ASN 930 Ca -0.06 -1.90 -0.04 0.00 0.21 0.00 0.00 52.86 51.07 2rqb s ASN 930 Cb -0.15 -2.28 -0.03 0.00 -0.55 0.00 0.00 41.25 38.23 2rqb s ASN 930 CO 0.03 -0.94 2.88 0.23 -2.79 0.00 0.00 177.10 176.51 2rqb n MET 931 N 5.65 2.05 -3.91 0.43 2.81 -1.26 -4.08 117.12 118.81 2rqb n MET 931 Ca 0.02 -1.56 -0.35 0.00 -1.81 0.00 0.00 57.70 53.99 2rqb n MET 931 Cb 0.44 -1.91 -0.11 0.00 -0.71 0.00 0.00 33.22 30.93 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 -0.95 4.58 -0.00 2.03 2.01 -1.26 -4.99 115.64 117.05 2rqb s THR 932 Ca 0.52 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 2rqb s THR 932 Cb 0.31 -3.10 -0.22 0.00 0.01 0.00 0.00 72.50 69.50 2rqb s THR 932 CO -0.10 0.40 1.12 1.55 -0.69 0.00 0.00 174.62 176.90 2rqb h PRO 933 N 7.43 0.35 -0.54 4.92 0.13 -1.98 -3.22 132.00 139.10 2rqb h PRO 933 Ca -0.37 -0.34 0.04 0.00 -0.87 0.00 0.00 66.00 64.46 2rqb h PRO 933 Cb 1.17 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 2rqb h PRO 933 CO 0.63 1.01 0.36 0.93 -0.23 0.00 0.00 178.00 180.70 2rqb h GLU 934 N -0.18 0.56 0.00 0.86 4.39 -1.97 0.12 114.58 118.37 2rqb h GLU 934 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2rqb h GLU 934 Cb 1.15 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2rqb h GLU 934 CO 0.09 0.37 0.00 0.35 -1.16 0.00 0.00 179.01 178.66 2rqb h PHE 935 N 0.57 0.00 0.00 4.33 3.57 -1.81 0.10 116.94 123.71 2rqb h PHE 935 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2rqb h PHE 935 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 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 -0.06 1.11 2.10 -0.82 0.08 116.57 118.97 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 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 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 -2.51 2.09 -0.04 0.07 -0.58 0.36 -4.17 120.64 115.85 2rqb n GLU 937 Ca 0.01 -1.85 -0.01 0.00 -0.42 0.00 0.00 57.16 54.89 2rqb n GLU 937 Cb 0.21 -1.43 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 2rqb n GLU 937 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2rqb n LEU 938 N 1.25 0.00 -4.53 -4.62 4.77 -0.14 -4.99 117.00 108.74 2rqb n LEU 938 Ca 0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 2rqb n LEU 938 Cb 0.55 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.72 2rqb n LEU 938 CO 0.14 0.18 -0.45 -0.72 -1.33 0.00 0.00 177.39 175.21 2rqb s TYR 939 N -2.58 2.65 -0.02 -1.77 -0.85 -0.30 -3.73 117.35 110.74 2rqb s TYR 939 Ca -0.06 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 2rqb s TYR 939 Cb 0.06 -1.40 -0.00 0.00 0.38 0.00 0.00 41.96 40.99 2rqb s TYR 939 CO 0.54 0.40 -0.11 0.42 -1.52 0.00 0.00 175.55 175.28 2rqb s ILE 940 N -1.16 0.95 -0.15 -3.49 1.01 0.46 -4.78 121.20 114.04 2rqb s ILE 940 Ca 0.19 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 2rqb s ILE 940 Cb -0.11 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 2rqb s ILE 940 CO 0.11 0.28 0.17 -0.69 0.00 0.00 0.00 174.94 174.82 2rqb s VAL 941 N -0.01 5.41 -0.11 2.92 1.01 -1.26 -0.89 120.40 127.47 2rqb s VAL 941 Ca -0.00 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2rqb s VAL 941 Cb -0.08 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2rqb s VAL 941 CO 0.00 0.51 -0.15 -0.13 0.00 0.00 0.00 175.10 175.34 2rqb s ARG 942 N -0.27 3.19 -0.48 2.72 3.00 -1.06 -4.99 118.95 121.05 2rqb s ARG 942 Ca 0.13 -0.71 -0.30 0.00 0.00 0.00 0.00 55.73 54.84 2rqb s ARG 942 Cb -0.12 -2.54 -0.11 0.00 0.00 0.00 0.00 34.95 32.18 2rqb s ARG 942 CO 0.02 0.28 2.36 -1.91 0.00 0.00 0.00 175.30 176.05 2rqb n GLU 943 N 3.32 1.02 -3.68 3.54 2.13 -1.26 -3.98 120.64 121.73 2rqb n GLU 943 Ca -0.18 0.18 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2rqb n GLU 943 Cb 0.53 -2.77 -0.10 0.00 0.27 0.00 0.00 31.44 29.37 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 9.46 -0.55 0.00 4.31 2.47 -1.26 -5.01 114.94 124.36 2rqb s ASN 944 Ca 1.09 1.00 0.23 0.00 0.42 0.00 0.00 52.86 55.60 2rqb s ASN 944 Cb -0.61 0.96 0.14 0.00 -1.45 0.00 0.00 41.25 40.30 2rqb s ASN 944 CO 0.39 -0.21 1.17 2.29 -3.72 0.00 0.00 177.10 177.02 2rqb n LYS 945 N 4.45 0.57 0.09 0.43 2.85 -1.26 -3.98 118.16 121.30 2rqb n LYS 945 Ca -0.21 -0.43 0.08 0.00 -1.05 0.00 0.00 58.31 56.70 2rqb n LYS 945 Cb 0.55 -1.49 0.38 0.00 -0.65 0.00 0.00 35.03 33.82 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 -0.84 1.29 -0.51 0.58 0.00 -1.26 -3.62 120.51 116.14 2rqb n ALA 946 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2rqb n ALA 946 Cb 0.38 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.96 0.00 -4.55 0.00 7.99 -1.26 -5.00 117.00 112.23 2rqb n LEU 947 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.62 2rqb n LEU 947 Cb 0.10 -0.23 0.04 0.00 -0.11 0.00 0.00 43.42 43.22 2rqb n LEU 947 CO 0.11 -0.24 0.35 0.00 -1.51 0.00 0.00 177.39 176.09 2rqb n GLN 948 N -1.97 0.81 0.00 3.23 -0.00 -1.24 -4.91 117.38 113.30 2rqb n GLN 948 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 2rqb n GLN 948 Cb 0.00 -1.94 0.00 0.00 -0.00 0.00 0.00 30.24 28.30 2rqb n GLN 948 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2rqb n LYS 949 N -0.40 0.67 -2.64 2.61 5.02 -1.26 -4.83 118.16 117.33 2rqb n LYS 949 Ca 0.12 -0.71 -0.09 0.00 -2.02 0.00 0.00 58.31 55.61 2rqb n LYS 949 Cb 0.46 -0.62 0.05 0.00 -0.02 0.00 0.00 35.03 34.89 2rqb n LYS 949 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rqb n LYS 950 N -0.11 -2.08 -3.16 1.97 5.02 -1.26 -4.98 118.16 113.56 2rqb n LYS 950 Ca 0.00 0.52 -0.40 0.00 -2.02 0.00 0.00 58.31 56.42 2rqb n LYS 950 Cb 0.43 -4.23 -0.06 0.00 -0.02 0.00 0.00 35.03 31.15 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqb h ALA 952 N 7.26 0.78 -0.32 0.00 0.00 -1.99 0.13 119.26 125.13 2rqb h ALA 952 Ca -0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 2rqb h ALA 952 Cb 1.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2rqb h ALA 952 CO 0.76 0.65 -0.02 0.38 0.00 0.00 0.00 179.25 181.02 2rqb h ASP 953 N 0.65 0.57 -2.58 0.00 3.04 -1.95 -3.39 116.42 112.76 2rqb h ASP 953 Ca 0.07 -0.33 -0.59 0.00 -3.24 0.00 0.00 57.03 52.95 2rqb h ASP 953 Cb 0.85 -0.15 -0.39 0.00 -1.04 0.00 0.00 39.33 38.60 2rqb h ASP 953 CO 0.07 0.76 -0.88 -0.31 -2.04 0.00 0.00 179.24 176.84 2rqb s TYR 954 N -4.92 1.02 0.04 4.15 2.02 -1.13 -4.89 117.35 113.63 2rqb s TYR 954 Ca -0.13 -1.99 -0.30 0.00 -0.37 0.00 0.00 57.07 54.27 2rqb s TYR 954 Cb 0.09 -1.03 -0.07 0.00 -0.40 0.00 0.00 41.96 40.55 2rqb s TYR 954 CO 0.77 -0.82 1.54 -1.14 -1.57 0.00 0.00 175.55 174.34 2rqb s GLN 955 N 0.57 4.23 0.14 -0.62 2.00 0.46 -4.14 119.66 122.30 2rqb s GLN 955 Ca 0.24 2.17 0.04 0.00 -2.00 0.00 0.00 55.36 55.81 2rqb s GLN 955 Cb -0.12 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.06 2rqb s GLN 955 CO -0.07 -0.67 0.18 0.42 -0.50 0.00 0.00 175.29 174.65 2rqb s ILE 956 N 2.53 4.84 -0.14 -2.34 -1.09 -1.26 0.86 121.20 124.59 2rqb s ILE 956 Ca 0.69 -0.86 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 2rqb s ILE 956 Cb -0.36 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 2rqb s ILE 956 CO 0.30 -0.06 0.20 0.59 -1.23 0.00 0.00 174.94 174.75 2rqb n ASN 957 N -0.27 2.09 0.00 3.58 5.03 -1.08 -4.82 115.26 119.80 2rqb n ASN 957 Ca -0.08 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.09 2rqb n ASN 957 Cb 0.54 1.17 0.00 0.00 -1.02 0.00 0.00 39.78 40.47 2rqb n ASN 957 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rqb n GLY 958 N 1.70 -0.49 3.17 7.41 0.00 -1.26 -4.65 105.19 111.07 2rqb n GLY 958 Ca -0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 0.97 -0.15 1.61 2.12 -1.26 -3.55 118.70 116.44 2rqb s GLU 959 Ca 0.00 -0.85 -0.07 0.00 0.36 0.00 0.00 54.97 54.41 2rqb s GLU 959 Cb 0.00 -1.01 -0.04 0.00 0.26 0.00 0.00 34.13 33.34 2rqb s GLU 959 CO 0.00 0.24 0.09 0.96 -0.54 0.00 0.00 175.26 176.01 2rqb s ILE 960 N -0.96 5.03 0.02 -3.70 -4.36 -1.22 -2.58 121.20 113.43 2rqb s ILE 960 Ca 0.02 0.04 0.01 0.00 -0.26 0.00 0.00 60.65 60.46 2rqb s ILE 960 Cb -0.09 -3.23 -0.01 0.00 1.25 0.00 0.00 42.46 40.38 2rqb s ILE 960 CO 0.02 0.52 -0.04 0.27 0.24 0.00 0.00 174.94 175.95 2rqb s ILE 961 N -0.19 0.25 0.57 8.37 -4.36 -0.07 -0.32 121.20 125.44 2rqb s ILE 961 Ca 0.09 -0.62 -0.09 0.00 -0.26 0.00 0.00 60.65 59.76 2rqb s ILE 961 Cb -0.12 -0.31 0.14 0.00 1.25 0.00 0.00 42.46 43.43 2rqb s ILE 961 CO 0.01 -0.24 0.40 0.00 0.24 0.00 0.00 174.94 175.35 2rqb h LYS 963 N 0.00 -0.17 -0.71 0.00 1.79 -1.92 -1.76 116.57 113.80 2rqb h LYS 963 Ca -0.17 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.42 2rqb h LYS 963 Cb 0.54 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 2rqb h LYS 963 CO 0.10 -0.06 0.47 0.00 -1.08 0.00 0.00 179.45 178.88 2rqb n GLY 965 N -1.48 1.06 3.60 0.00 0.00 -0.66 -5.11 105.19 102.59 2rqb n GLY 965 Ca 0.12 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 -0.02 3.97 -0.77 1.61 2.00 -1.26 -4.73 119.66 120.46 2rqb s GLN 966 Ca 0.00 -0.15 -0.24 0.00 -2.00 0.00 0.00 55.36 52.97 2rqb s GLN 966 Cb 0.00 -3.66 -0.17 0.00 0.80 0.00 0.00 33.01 29.98 2rqb s GLN 966 CO 0.00 -0.24 2.44 0.00 -0.50 0.00 0.00 175.29 177.00 2rqb n ALA 967 N 5.20 0.61 0.13 1.58 0.00 -1.26 -1.06 120.51 125.72 2rqb n ALA 967 Ca -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 53.44 52.45 2rqb n ALA 967 Cb 0.51 -2.86 0.19 0.00 0.00 0.00 0.00 19.45 17.29 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 14.67 0.08 0.00 0.00 6.55 -1.00 -3.43 115.95 132.82 2rqb h TRP 968 Ca -0.09 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.72 2rqb h TRP 968 Cb 1.19 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.48 2rqb h TRP 968 CO 1.11 0.61 0.00 0.41 -1.05 0.00 0.00 178.44 179.52 2rqb n GLY 969 N 0.11 -0.43 3.25 1.49 0.00 -1.12 0.86 105.19 109.36 2rqb n GLY 969 Ca -0.02 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.83 2.61 -4.23 0.59 -3.41 115.64 110.44 2rqb s THR 970 Ca 0.00 -0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 59.74 2rqb s THR 970 Cb 0.00 -0.86 0.19 0.00 1.34 0.00 0.00 72.50 73.17 2rqb s THR 970 CO 0.00 -0.34 0.84 -0.32 -0.54 0.00 0.00 174.62 174.26 2rqb s MET 971 N -2.24 3.55 0.49 3.99 1.75 -1.23 0.18 119.30 125.79 2rqb s MET 971 Ca -0.07 -2.21 -0.13 0.00 -1.25 0.00 0.00 55.69 52.03 2rqb s MET 971 Cb -0.02 -4.53 -0.06 0.00 2.84 0.00 0.00 34.83 33.06 2rqb s MET 971 CO -0.01 -1.42 0.91 -1.64 -0.65 0.00 0.00 175.02 172.20 2rqb s MET 972 N 0.94 3.80 0.08 4.11 -1.94 -0.49 -2.62 119.30 123.19 2rqb s MET 972 Ca 0.20 0.70 0.08 0.00 -1.71 0.00 0.00 55.69 54.96 2rqb s MET 972 Cb -0.10 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 2rqb s MET 972 CO -0.08 -0.24 -0.21 0.08 -0.01 0.00 0.00 175.02 174.56 2rqb s VAL 973 N -2.65 1.72 -0.25 -6.03 1.01 0.25 -0.39 120.40 114.07 2rqb s VAL 973 Ca 0.55 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2rqb s VAL 973 Cb -0.10 -1.54 0.08 0.00 0.00 0.00 0.00 36.38 34.82 2rqb s VAL 973 CO 0.36 0.04 0.10 -2.28 0.00 0.00 0.00 175.10 173.32 2rqb s HIS 974 N -1.03 0.62 -1.97 5.22 5.04 -0.84 -3.27 115.29 119.06 2rqb s HIS 974 Ca 0.07 -0.86 0.00 0.00 -1.54 0.00 0.00 55.06 52.73 2rqb s HIS 974 Cb -0.10 -0.99 0.00 0.00 0.04 0.00 0.00 32.58 31.53 2rqb s HIS 974 CO 0.03 -0.72 0.00 1.63 -2.34 0.00 0.00 174.74 173.35 2rqb n LYS 975 N 5.16 -1.35 0.00 2.88 4.76 -1.26 -0.12 118.16 128.23 2rqb n LYS 975 Ca -0.06 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 2rqb n LYS 975 Cb 0.45 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.16 2rqb n LYS 975 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2rqb n GLY 976 N -0.69 0.42 3.88 0.72 0.00 -1.26 -5.02 105.19 103.24 2rqb n GLY 976 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 2.68 -0.28 0.99 0.20 0.83 -5.05 118.68 118.05 2rqb s LEU 977 Ca 0.00 1.00 -0.05 0.00 0.69 0.00 0.00 54.13 55.77 2rqb s LEU 977 Cb 0.00 -3.65 0.01 0.00 -0.43 0.00 0.00 46.19 42.13 2rqb s LEU 977 CO 0.00 -1.67 0.04 1.51 -0.29 0.00 0.00 176.35 175.94 2rqb s ASP 978 N -4.39 4.90 -0.35 3.68 -4.77 -1.26 -1.99 116.67 112.50 2rqb s ASP 978 Ca 0.60 -0.71 -0.00 0.00 -3.30 0.00 0.00 52.55 49.15 2rqb s ASP 978 Cb -0.11 -1.83 0.11 0.00 -1.09 0.00 0.00 42.92 40.00 2rqb s ASP 978 CO 0.51 -0.16 0.14 -0.76 0.70 0.00 0.00 175.17 175.60 2rqb s LEU 979 N 1.46 2.20 -0.24 2.11 1.02 0.48 -4.89 118.68 120.83 2rqb s LEU 979 Ca 0.02 -1.93 -0.29 0.00 0.02 0.00 0.00 54.13 51.96 2rqb s LEU 979 Cb -0.17 -0.85 -0.01 0.00 0.02 0.00 0.00 46.19 45.18 2rqb s LEU 979 CO 0.01 -0.37 1.31 -2.16 0.02 0.00 0.00 176.35 175.16 2rqb s PRO 980 N 1.26 4.04 -0.51 1.29 0.04 -1.26 -1.39 135.00 138.47 2rqb s PRO 980 Ca 0.12 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 2rqb s PRO 980 Cb -0.20 -3.85 0.08 0.00 0.04 0.00 0.00 34.50 30.58 2rqb s PRO 980 CO -0.17 -0.97 0.51 0.00 0.04 0.00 0.00 177.00 176.42 2rqb s LEU 982 N 2.03 2.81 -0.09 0.00 1.02 -1.26 -0.30 118.68 122.89 2rqb s LEU 982 Ca 0.08 0.58 -0.00 0.00 0.02 0.00 0.00 54.13 54.81 2rqb s LEU 982 Cb -0.24 -3.23 0.02 0.00 0.02 0.00 0.00 46.19 42.77 2rqb s LEU 982 CO 0.07 -1.58 -0.06 -0.54 0.02 0.00 0.00 176.35 174.26 2rqb s LYS 983 N -5.29 1.23 0.65 1.70 1.02 0.25 -4.86 119.74 114.44 2rqb s LYS 983 Ca 0.60 -0.16 0.39 0.00 0.02 0.00 0.00 55.97 56.82 2rqb s LYS 983 Cb -0.11 -1.33 2.17 0.00 -0.52 0.00 0.00 37.83 38.04 2rqb s LYS 983 CO 0.46 -0.23 2.26 0.82 -0.92 0.00 0.00 175.35 177.74 2rqb h ILE 984 N 6.20 0.10 0.00 2.17 2.04 -1.83 0.45 117.51 126.64 2rqb h ILE 984 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2rqb h ILE 984 Cb 1.14 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2rqb h ILE 984 CO 0.38 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.42 2rqb n ARG 985 N -3.20 0.19 0.00 2.37 1.85 0.17 -1.77 116.66 116.27 2rqb n ARG 985 Ca -0.02 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 2rqb n ARG 985 Cb 0.15 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 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 0.67 -3.65 2.89 3.02 0.15 -4.99 115.26 112.04 2rqb n ASN 986 Ca 0.07 -0.91 -0.21 0.00 -0.03 0.00 0.00 54.58 53.51 2rqb n ASN 986 Cb 0.14 0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.12 0.68 -4.13 3.10 3.01 -0.73 -0.94 117.46 118.34 2rqb n PHE 987 Ca 0.00 -1.63 -0.09 0.00 1.01 0.00 0.00 57.45 56.74 2rqb n PHE 987 Cb 0.04 -0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 39.22 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 -2.22 0.51 -0.19 -4.37 1.01 -0.46 -4.44 120.40 110.24 2rqb s VAL 988 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.19 2rqb s VAL 988 Cb 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.90 2rqb s VAL 988 CO 0.01 -0.88 -0.08 -0.69 0.00 0.00 0.00 175.10 173.46 2rqb s VAL 989 N -3.52 1.47 -0.18 2.92 1.01 -0.24 -1.43 120.40 120.43 2rqb s VAL 989 Ca 0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2rqb s VAL 989 Cb 0.05 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2rqb s VAL 989 CO -0.06 0.14 -0.10 -0.69 0.00 0.00 0.00 175.10 174.39 2rqb s VAL 990 N 1.47 3.04 0.21 2.92 1.01 -1.11 0.30 120.40 128.24 2rqb s VAL 990 Ca -0.01 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2rqb s VAL 990 Cb -0.16 -2.33 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 2rqb s VAL 990 CO -0.08 0.48 0.92 -0.36 0.00 0.00 0.00 175.10 176.06 2rqb s PHE 991 N 1.04 3.95 -0.03 5.22 0.08 -1.02 -2.69 117.98 124.52 2rqb s PHE 991 Ca -0.00 1.86 -0.03 0.00 0.12 0.00 0.00 56.93 58.88 2rqb s PHE 991 Cb -0.15 -2.97 -0.27 0.00 -0.57 0.00 0.00 43.02 39.06 2rqb s PHE 991 CO -0.02 0.42 0.73 -0.22 -0.10 0.00 0.00 175.22 176.04 2rqb h LYS 992 N 4.42 0.25 -0.92 0.44 3.64 0.12 -3.36 116.57 121.16 2rqb h LYS 992 Ca -0.45 -0.43 0.13 0.00 -1.27 0.00 0.00 60.65 58.64 2rqb h LYS 992 Cb 1.20 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 33.04 2rqb h LYS 992 CO 0.68 1.10 -0.42 -0.91 -2.27 0.00 0.00 179.45 177.64 2rqb h ASN 993 N 0.07 -1.52 -4.55 4.20 -0.26 -1.93 -3.41 115.58 108.17 2rqb h ASN 993 Ca -0.29 0.30 -0.28 0.00 -0.56 0.00 0.00 56.30 55.47 2rqb h ASN 993 Cb 2.03 0.76 -0.18 0.00 -1.06 0.00 0.00 38.32 39.88 2rqb h ASN 993 CO 0.15 -0.29 -0.72 0.54 -1.06 0.00 0.00 177.43 176.05 2rqb s ASN 994 N -5.34 1.21 -0.94 5.81 4.22 -1.26 -4.89 114.94 113.76 2rqb s ASN 994 Ca -0.14 -0.80 -0.25 0.00 -2.14 0.00 0.00 52.86 49.54 2rqb s ASN 994 Cb 0.18 0.04 -0.09 0.00 1.28 0.00 0.00 41.25 42.66 2rqb s ASN 994 CO 0.69 -0.30 2.07 -0.94 -2.04 0.00 0.00 177.10 176.58 2rqb s SER 995 N -2.38 4.69 0.03 3.54 1.04 -1.26 -4.50 113.70 114.86 2rqb s SER 995 Ca 0.03 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 2rqb s SER 995 Cb -0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2rqb s SER 995 CO -0.01 -3.23 0.17 -0.89 0.98 0.00 0.00 173.24 170.25 2rqb s THR 996 N 11.92 0.11 -0.17 2.02 2.01 -1.26 -5.08 115.64 125.19 2rqb s THR 996 Ca 0.76 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 2rqb s THR 996 Cb -0.07 -0.83 0.05 0.00 0.01 0.00 0.00 72.50 71.66 2rqb s THR 996 CO 0.05 -0.50 0.02 -0.75 -0.69 0.00 0.00 174.62 172.75 2rqb s LYS 997 N -2.36 0.77 -0.16 4.92 2.20 -1.26 -2.43 119.74 121.41 2rqb s LYS 997 Ca -0.07 -0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.13 2rqb s LYS 997 Cb -0.02 -1.92 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 2rqb s LYS 997 CO -0.03 -0.56 0.01 0.15 -0.36 0.00 0.00 175.35 174.56 2rqb s LYS 998 N 1.83 3.79 -0.35 4.03 3.01 0.15 -4.99 119.74 127.21 2rqb s LYS 998 Ca 0.00 -0.44 -0.08 0.00 -1.01 0.00 0.00 55.97 54.44 2rqb s LYS 998 Cb -0.16 -3.05 0.03 0.00 -1.01 0.00 0.00 37.83 33.64 2rqb s LYS 998 CO -0.07 0.27 0.15 -1.14 0.51 0.00 0.00 175.35 175.07 2rqb s GLN 999 N 0.32 2.78 0.14 1.68 0.74 -1.26 -1.07 119.66 122.99 2rqb s GLN 999 Ca -0.00 -1.08 0.02 0.00 0.05 0.00 0.00 55.36 54.34 2rqb s GLN 999 Cb -0.13 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.43 2rqb s GLN 999 CO 0.02 -0.64 0.17 0.66 -0.55 0.00 0.00 175.29 174.95 2rqb n TYR 1000N 4.90 -2.37 0.00 1.67 4.01 -1.26 -5.02 117.16 119.08 2rqb n TYR 1000Ca -0.12 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 2rqb n TYR 1000Cb 0.46 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2rqb n TYR 1000CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2rqb n LYS 1001N -1.18 0.00 -4.43 -0.72 2.85 -1.26 -4.14 118.16 109.28 2rqb n LYS 1001Ca 0.03 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.04 2rqb n LYS 1001Cb 0.15 -0.42 -0.10 0.00 -0.65 0.00 0.00 35.03 34.01 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 -1.96 1.71 0.44 -1.58 1.02 -1.26 0.46 119.74 118.56 2rqb s LYS 1002Ca 0.00 -1.62 0.23 0.00 0.02 0.00 0.00 55.97 54.60 2rqb s LYS 1002Cb 0.00 -1.86 0.99 0.00 -0.52 0.00 0.00 37.83 36.44 2rqb s LYS 1002CO 0.00 0.36 1.87 -1.49 -0.92 0.00 0.00 175.35 175.17 2rqb h TRP 1003N 2.61 0.00 0.00 3.18 4.06 -1.97 -1.79 115.95 122.04 2rqb h TRP 1003Ca -0.43 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.52 2rqb h TRP 1003Cb 1.24 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2rqb h TRP 1003CO 0.75 0.24 -0.00 -0.24 -3.56 0.00 0.00 178.44 175.62 2rqb h VAL 1004N 0.00 0.12 0.00 1.49 3.04 -2.00 0.22 116.25 119.12 2rqb h VAL 1004Ca -0.00 -0.04 -0.12 0.00 -1.01 0.00 0.00 66.70 65.53 2rqb h VAL 1004Cb 0.67 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 2rqb h VAL 1004CO 0.03 0.00 -0.58 -0.33 -1.01 0.00 0.00 177.57 175.69 2rqb h GLU 1005N 0.00 0.00 -6.03 4.17 4.39 -1.74 -3.44 114.58 111.94 2rqb h GLU 1005Ca -0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2rqb h GLU 1005Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2rqb h GLU 1005CO 0.00 0.58 1.47 -1.17 -1.16 0.00 0.00 179.01 178.72 2rqb s LEU 1006N -6.61 3.53 0.00 1.33 2.96 0.78 -4.79 118.68 115.87 2rqb s LEU 1006Ca 0.03 1.95 0.24 0.00 -0.22 0.00 0.00 54.13 56.12 2rqb s LEU 1006Cb 0.09 -3.51 1.38 0.00 0.50 0.00 0.00 46.19 44.64 2rqb s LEU 1006CO 0.75 -1.88 1.78 -0.81 -1.32 0.00 0.00 176.35 174.87 2rqb n PRO 1007N 8.65 0.68 -3.41 0.98 -0.04 -1.26 -4.70 135.00 135.90 2rqb n PRO 1007Ca 0.29 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 2rqb n PRO 1007Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.09 5.22 0.79 0.52 1.09 -1.26 -4.88 121.20 120.59 2rqb s ILE 1008Ca 0.34 0.80 -0.12 0.00 -1.10 0.00 0.00 60.65 60.57 2rqb s ILE 1008Cb 0.16 -3.74 0.07 0.00 -1.06 0.00 0.00 42.46 37.89 2rqb s ILE 1008CO 0.29 0.37 1.12 0.28 -0.10 0.00 0.00 174.94 176.89 2rqb s THR 1009N 0.45 2.88 0.25 2.92 -1.32 -1.26 -4.94 115.64 114.62 2rqb s THR 1009Ca 0.22 0.32 0.04 0.00 -1.21 0.00 0.00 61.69 61.07 2rqb s THR 1009Cb -0.14 -2.70 -0.05 0.00 -1.51 0.00 0.00 72.50 68.09 2rqb s THR 1009CO 0.08 -0.34 -0.01 -0.36 -2.21 0.00 0.00 174.62 171.78 2rqb s PHE 1010N -2.66 1.68 0.00 9.09 0.40 -1.26 -4.44 117.98 120.79 2rqb s PHE 1010Ca 0.65 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 2rqb s PHE 1010Cb -0.20 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.35 2rqb s PHE 1010CO 0.53 0.03 0.00 -0.35 0.70 0.00 0.00 175.22 176.13 2rqb n PRO 1011N -0.47 0.60 -3.44 0.24 -0.04 -1.26 -5.02 135.00 125.60 2rqb n PRO 1011Ca -0.05 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.25 2rqb n PRO 1011Cb 0.64 0.00 -0.11 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 1.33 -0.15 3.54 -0.87 -1.26 -4.27 114.94 112.01 2rqb s ASN 1012Ca 0.00 -0.36 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2rqb s ASN 1012Cb 0.00 0.53 0.01 0.00 -0.02 0.00 0.00 41.25 41.78 2rqb s ASN 1012CO 0.00 -0.35 -0.20 -0.22 -2.57 0.00 0.00 177.10 173.76 2rqb s LEU 1013N 2.37 2.05 0.35 0.60 0.20 -0.25 -4.90 118.68 119.11 2rqb s LEU 1013Ca 0.09 -0.59 0.08 0.00 0.69 0.00 0.00 54.13 54.40 2rqb s LEU 1013Cb -0.15 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.16 2rqb s LEU 1013CO -0.20 0.05 0.16 -1.81 -0.29 0.00 0.00 176.35 174.26 2rqb s ASP 1014N 0.97 4.68 -0.13 3.68 1.11 -1.26 -4.20 116.67 121.51 2rqb s ASP 1014Ca -0.04 -0.81 -0.08 0.00 0.18 0.00 0.00 52.55 51.80 2rqb s ASP 1014Cb -0.15 -0.69 -0.03 0.00 1.07 0.00 0.00 42.92 43.13 2rqb s ASP 1014CO -0.05 -0.35 -0.16 1.88 1.18 0.00 0.00 175.17 177.67 2rqb h TYR 1015N 1.49 0.00 -1.90 4.23 0.05 -1.96 -3.36 116.97 115.53 2rqb h TYR 1015Ca -0.43 0.00 0.55 0.00 0.05 0.00 0.00 58.73 58.90 2rqb h TYR 1015Cb 1.25 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.92 2rqb h TYR 1015CO 0.62 0.00 1.42 1.03 -1.05 0.00 0.00 178.16 180.17 2rqb h SER 1016N -0.99 0.00 -0.95 3.88 0.87 -2.03 0.22 113.55 114.56 2rqb h SER 1016Ca 0.00 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.75 2rqb h SER 1016Cb 0.45 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.23 2rqb h SER 1016CO 0.00 0.00 -0.24 -0.62 -0.53 0.00 0.00 176.83 175.44 2rqb n GLU 1017N -3.86 -0.09 -3.91 2.24 -0.58 -1.26 -4.34 120.64 108.84 2rqb n GLU 1017Ca 0.43 1.48 -0.21 0.00 -0.42 0.00 0.00 57.16 58.44 2rqb n GLU 1017Cb 1.99 -2.21 -0.02 0.00 -0.57 0.00 0.00 31.44 30.63 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqb h LEU 1020N 0.99 -0.85 -1.34 0.00 3.38 -1.94 0.42 115.31 115.97 2rqb h LEU 1020Ca 0.08 0.20 0.44 0.00 0.09 0.00 0.00 57.88 58.69 2rqb h LEU 1020Cb 1.35 0.47 -0.11 0.00 0.09 0.00 0.00 40.66 42.46 2rqb h LEU 1020CO 0.20 -0.26 0.90 0.49 0.09 0.00 0.00 178.44 179.85 2rqb n PHE 1021N -5.43 0.45 -4.25 1.13 3.72 -1.26 -4.68 117.46 107.13 2rqb n PHE 1021Ca 0.05 0.45 -0.34 0.00 -0.05 0.00 0.00 57.45 57.57 2rqb n PHE 1021Cb 0.34 -0.88 -0.08 0.00 -0.94 0.00 0.00 39.48 37.92 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 -4.24 -0.30 -0.42 4.37 2.88 0.15 -4.68 113.62 111.37 2rqb n SER 1022Ca 0.36 -1.17 0.37 0.00 -1.33 0.00 0.00 58.87 57.10 2rqb n SER 1022Cb 1.47 -1.48 0.65 0.00 -0.75 0.00 0.00 64.21 64.10 2rqb n SER 1022CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2rqb h ASP 1023N -1.23 0.25 -3.09 -3.46 3.58 -1.83 -3.38 116.42 107.26 2rqb h ASP 1023Ca -0.59 0.19 -0.39 0.00 0.42 0.00 0.00 57.03 56.66 2rqb h ASP 1023Cb 1.29 0.19 0.21 0.00 1.72 0.00 0.00 39.33 42.75 2rqb h ASP 1023CO 0.74 -0.30 -0.09 -1.61 -2.88 0.00 0.00 179.24 175.10 2rqb s GLU 1024N -5.35 -2.66 0.00 0.28 2.02 -1.26 -5.28 118.70 106.44 2rqb s GLU 1024Ca -0.08 0.19 0.23 0.00 0.02 0.00 0.00 54.97 55.33 2rqb s GLU 1024Cb 0.32 -1.40 1.35 0.00 0.10 0.00 0.00 34.13 34.50 2rqb s GLU 1024CO 0.81 -4.72 1.73 -3.47 0.02 0.00 0.00 175.26 169.63