#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f59 h LEU 914 N 0.00 0.57 -8.56 4.37 3.38 -0.67 -3.45 115.31 110.94 3f59 h LEU 914 Ca 0.00 -0.64 -0.70 0.00 0.09 0.00 0.00 57.88 56.64 3f59 h LEU 914 Cb 0.00 -0.18 -0.31 0.00 0.09 0.00 0.00 40.66 40.26 3f59 h LEU 914 CO 0.00 1.51 -0.89 -0.69 0.09 0.00 0.00 178.44 178.46 3f59 s VAL 915 N -2.63 2.05 -0.30 1.22 1.01 -0.82 -2.81 120.40 118.12 3f59 s VAL 915 Ca -0.07 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 3f59 s VAL 915 Cb 0.06 -1.71 0.18 0.00 0.00 0.00 0.00 36.38 34.91 3f59 s VAL 915 CO 0.90 0.58 0.70 -0.55 0.00 0.00 0.00 175.10 176.73 3f59 s SER 916 N -0.44 -1.16 -0.03 3.32 0.15 -1.25 -1.32 113.70 112.98 3f59 s SER 916 Ca 0.05 0.86 -0.26 0.00 0.70 0.00 0.00 55.95 57.30 3f59 s SER 916 Cb -0.11 2.03 0.06 0.00 -1.71 0.00 0.00 66.02 66.28 3f59 s SER 916 CO 0.01 -0.22 0.57 0.72 1.20 0.00 0.00 173.24 175.52 3f59 s PHE 917 N 2.86 -0.51 0.17 3.44 -0.12 -0.35 -4.98 117.98 118.49 3f59 s PHE 917 Ca 0.12 0.82 -0.30 0.00 -0.05 0.00 0.00 56.93 57.53 3f59 s PHE 917 Cb -0.13 0.32 -0.07 0.00 -0.63 0.00 0.00 43.02 42.50 3f59 s PHE 917 CO -0.19 -0.56 1.10 -1.64 -0.05 0.00 0.00 175.22 173.88 3f59 s MET 918 N -1.39 4.60 0.10 1.99 -1.94 -1.26 0.34 119.30 121.73 3f59 s MET 918 Ca -0.11 1.71 0.03 0.00 -1.71 0.00 0.00 55.69 55.61 3f59 s MET 918 Cb -0.01 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 3f59 s MET 918 CO 0.07 0.08 -0.09 0.54 -0.01 0.00 0.00 175.02 175.61 3f59 s VAL 919 N -0.21 0.88 0.00 -6.03 0.11 -0.02 -4.94 120.40 110.19 3f59 s VAL 919 Ca 0.49 -1.74 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 3f59 s VAL 919 Cb -0.29 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 3f59 s VAL 919 CO 0.35 -0.65 0.00 -0.90 -3.33 0.00 0.00 175.10 170.56 3f59 n ASP 920 N 0.36 0.36 0.32 3.54 5.68 -1.26 -1.11 116.55 124.44 3f59 n ASP 920 Ca -0.15 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.34 3f59 n ASP 920 Cb 0.59 0.00 1.02 0.00 -1.14 0.00 0.00 41.12 41.59 3f59 n ASP 920 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f59 h ALA 921 N 1.00 1.25 0.00 2.12 0.00 -1.43 0.03 119.26 122.23 3f59 h ALA 921 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f59 h ALA 921 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f59 h ALA 921 CO 0.00 -0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.63 3f59 n ARG 922 N -3.14 0.18 0.00 0.00 1.74 -1.26 0.69 116.66 114.86 3f59 n ARG 922 Ca -0.02 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3f59 n ARG 922 Cb 0.22 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 3f59 n ARG 922 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f59 n GLY 923 N 0.63 -2.15 0.00 -0.13 0.00 -0.01 -4.11 105.19 99.43 3f59 n GLY 923 Ca 0.04 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3f59 n GLY 923 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f59 n GLY 924 N -2.10 -0.38 3.46 -0.02 0.00 0.35 -4.67 105.19 101.83 3f59 n GLY 924 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3f59 n GLY 924 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f59 s SER 925 N 0.00 -0.02 -0.28 1.61 1.04 -1.26 -0.51 113.70 114.27 3f59 s SER 925 Ca 0.00 -1.01 -0.17 0.00 0.48 0.00 0.00 55.95 55.25 3f59 s SER 925 Cb 0.00 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.73 3f59 s SER 925 CO 0.00 -1.03 0.74 -0.32 0.98 0.00 0.00 173.24 173.61 3f59 s MET 926 N -4.04 0.67 0.23 4.02 1.75 -0.64 -5.01 119.30 116.28 3f59 s MET 926 Ca 0.25 1.11 -0.17 0.00 -1.25 0.00 0.00 55.69 55.64 3f59 s MET 926 Cb 0.02 0.15 -0.08 0.00 2.84 0.00 0.00 34.83 37.76 3f59 s MET 926 CO 0.08 -0.13 0.68 1.03 -0.65 0.00 0.00 175.02 176.02 3f59 s ARG 927 N 1.47 4.10 0.72 4.11 0.52 -1.26 -1.28 118.95 127.33 3f59 s ARG 927 Ca -0.09 0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 55.67 3f59 s ARG 927 Cb -0.05 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.69 3f59 s ARG 927 CO -0.17 0.35 1.18 0.20 0.02 0.00 0.00 175.30 176.88 3f59 s GLY 928 N -1.86 2.25 0.00 -3.53 0.00 0.64 -4.85 107.32 99.97 3f59 s GLY 928 Ca 0.45 0.77 0.17 0.00 0.00 0.00 0.00 44.72 46.11 3f59 s GLY 928 CO 0.20 1.16 1.50 -1.14 0.00 0.00 0.00 173.10 174.82 3f59 n SER 929 N -2.74 0.00 -0.38 1.64 3.41 -1.12 -1.23 113.62 113.20 3f59 n SER 929 Ca 0.12 0.14 0.14 0.00 -0.26 0.00 0.00 58.87 59.01 3f59 n SER 929 Cb 0.51 -0.33 0.50 0.00 -0.26 0.00 0.00 64.21 64.63 3f59 n SER 929 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f59 n ARG 930 N -1.33 1.36 -4.15 4.33 1.74 -1.26 -4.97 116.66 112.37 3f59 n ARG 930 Ca 0.07 -0.76 -0.29 0.00 -0.77 0.00 0.00 57.85 56.10 3f59 n ARG 930 Cb 0.15 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3f59 n ARG 930 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3f59 n HIS 931 N -0.16 -1.46 -1.91 -1.55 8.25 -0.37 -4.86 115.22 113.16 3f59 n HIS 931 Ca 0.17 0.69 0.04 0.00 -0.26 0.00 0.00 57.72 58.36 3f59 n HIS 931 Cb 0.34 -3.21 0.07 0.00 1.12 0.00 0.00 29.99 28.31 3f59 n HIS 931 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f59 n ASN 932 N -2.91 1.07 0.00 0.41 0.23 -1.26 -4.99 115.26 107.81 3f59 n ASN 932 Ca -0.28 -2.55 0.00 0.00 -0.53 0.00 0.00 54.58 51.21 3f59 n ASN 932 Cb 0.67 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3f59 n ASN 932 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f59 n GLY 933 N -0.32 1.74 3.71 4.83 0.00 -1.26 -4.70 105.19 109.20 3f59 n GLY 933 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3f59 n GLY 933 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f59 s LEU 934 N 0.00 4.36 -0.28 0.99 2.96 -1.26 -4.17 118.68 121.29 3f59 s LEU 934 Ca 0.00 2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 55.70 3f59 s LEU 934 Cb 0.00 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.20 3f59 s LEU 934 CO 0.00 -0.49 0.77 -0.60 -1.32 0.00 0.00 176.35 174.71 3f59 s ARG 935 N 1.16 0.74 -0.16 1.98 3.52 -0.67 -0.26 118.95 125.26 3f59 s ARG 935 Ca 0.59 0.98 -0.00 0.00 -0.13 0.00 0.00 55.73 57.17 3f59 s ARG 935 Cb -0.29 0.30 -0.00 0.00 -1.56 0.00 0.00 34.95 33.40 3f59 s ARG 935 CO 0.29 -0.11 -0.14 0.08 -0.81 0.00 0.00 175.30 174.61 3f59 s VAL 936 N 0.71 2.74 -0.18 7.11 1.01 -0.41 -0.93 120.40 130.45 3f59 s VAL 936 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3f59 s VAL 936 Cb -0.05 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3f59 s VAL 936 CO -0.06 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 3f59 s VAL 937 N 0.82 1.96 -0.43 2.92 1.01 0.36 -1.62 120.40 125.42 3f59 s VAL 937 Ca -0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 3f59 s VAL 937 Cb -0.15 -1.83 0.12 0.00 0.00 0.00 0.00 36.38 34.52 3f59 s VAL 937 CO 0.00 0.44 0.21 -0.63 0.00 0.00 0.00 175.10 175.13 3f59 s ILE 938 N 1.31 3.14 0.84 2.22 -1.09 0.33 -1.18 121.20 126.77 3f59 s ILE 938 Ca 0.03 -2.28 -0.11 0.00 -2.23 0.00 0.00 60.65 56.06 3f59 s ILE 938 Cb -0.14 -3.16 0.09 0.00 -1.58 0.00 0.00 42.46 37.67 3f59 s ILE 938 CO -0.11 -0.71 1.10 -2.84 -1.23 0.00 0.00 174.94 171.15 3f59 s PRO 939 N 0.88 1.73 0.21 2.79 0.02 -1.26 -0.50 135.00 138.87 3f59 s PRO 939 Ca 0.10 1.16 -0.32 0.00 0.02 0.00 0.00 61.00 61.97 3f59 s PRO 939 Cb -0.22 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.32 3f59 s PRO 939 CO -0.05 -2.01 1.23 -2.30 -0.33 0.00 0.00 177.00 173.55 3f59 n PRO 940 N -3.77 1.52 -0.59 5.54 -0.02 -1.26 -2.37 135.00 134.04 3f59 n PRO 940 Ca 0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3f59 n PRO 940 Cb 0.53 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3f59 n PRO 940 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3f59 n ARG 941 N 1.71 0.00 0.17 -0.52 5.12 0.22 -4.85 116.66 118.50 3f59 n ARG 941 Ca 0.13 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.08 3f59 n ARG 941 Cb 0.28 -2.24 0.26 0.00 -1.16 0.00 0.00 32.46 29.60 3f59 n ARG 941 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3f59 h THR 942 N 0.00 1.08 -3.72 0.55 1.35 -1.72 -3.41 112.91 107.03 3f59 h THR 942 Ca 0.00 -1.79 -0.66 0.00 -0.55 0.00 0.00 66.41 63.41 3f59 h THR 942 Cb 0.00 2.04 -0.39 0.00 -1.73 0.00 0.00 68.15 68.07 3f59 h THR 942 CO 0.00 0.46 -0.74 0.00 -0.25 0.00 0.00 175.52 174.99 3f59 h ALA 944 N 7.66 0.33 -3.43 0.00 0.00 -1.89 -1.54 119.26 120.39 3f59 h ALA 944 Ca -0.08 -0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.05 3f59 h ALA 944 Cb 1.03 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.52 3f59 h ALA 944 CO 0.50 -0.07 -0.82 0.00 0.00 0.00 0.00 179.25 178.86 3f59 s ALA 945 N -5.57 2.56 0.14 0.00 0.00 -1.26 -4.11 121.76 113.52 3f59 s ALA 945 Ca -0.13 -1.54 -0.34 0.00 0.00 0.00 0.00 51.96 49.94 3f59 s ALA 945 Cb 0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 23.12 22.61 3f59 s ALA 945 CO 0.72 0.48 1.21 -2.30 0.00 0.00 0.00 175.76 175.88 3f59 n PRO 946 N 0.48 1.11 -3.77 0.00 -0.02 -1.26 -4.74 135.00 126.80 3f59 n PRO 946 Ca -0.14 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3f59 n PRO 946 Cb 0.55 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 31.97 3f59 n PRO 946 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3f59 s THR 947 N 0.03 -0.01 -0.37 3.45 2.01 -0.27 -4.98 115.64 115.50 3f59 s THR 947 Ca 0.77 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.58 3f59 s THR 947 Cb -0.90 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 71.26 3f59 s THR 947 CO 0.51 0.02 0.81 -0.60 -0.69 0.00 0.00 174.62 174.66 3f59 s ARG 948 N 0.48 3.76 -0.16 4.92 3.52 -1.26 -0.84 118.95 129.38 3f59 s ARG 948 Ca -0.03 0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 55.77 3f59 s ARG 948 Cb -0.04 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3f59 s ARG 948 CO -0.02 -0.87 0.35 0.42 -0.81 0.00 0.00 175.30 174.37 3f59 s ILE 949 N 3.16 5.26 0.12 4.11 -1.09 0.15 -3.85 121.20 129.07 3f59 s ILE 949 Ca 0.32 0.67 0.06 0.00 -2.23 0.00 0.00 60.65 59.48 3f59 s ILE 949 Cb -0.13 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 3f59 s ILE 949 CO 0.17 0.35 -0.14 0.42 -1.23 0.00 0.00 174.94 174.51 3f59 s THR 950 N 0.64 1.35 -0.05 2.92 -4.23 0.19 -1.21 115.64 115.24 3f59 s THR 950 Ca 0.19 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3f59 s THR 950 Cb -0.14 -1.52 0.04 0.00 1.34 0.00 0.00 72.50 72.22 3f59 s THR 950 CO 0.06 -0.39 0.12 0.00 -0.54 0.00 0.00 174.62 173.87 3f59 s ARG 952 N 1.13 1.06 -0.12 0.00 3.52 -0.91 0.16 118.95 123.78 3f59 s ARG 952 Ca -0.09 -0.86 -0.03 0.00 -0.13 0.00 0.00 55.73 54.62 3f59 s ARG 952 Cb -0.12 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.12 3f59 s ARG 952 CO -0.05 0.28 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.20 3f59 s LEU 953 N -1.28 3.51 0.15 -0.88 1.43 -1.26 -0.80 118.68 119.55 3f59 s LEU 953 Ca 0.03 0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.28 3f59 s LEU 953 Cb -0.08 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3f59 s LEU 953 CO 0.02 0.28 -0.23 -0.69 0.23 0.00 0.00 176.35 175.96 3f59 s VAL 954 N -0.31 2.03 0.14 -1.59 1.01 0.17 -4.96 120.40 116.89 3f59 s VAL 954 Ca 0.06 -1.80 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 3f59 s VAL 954 Cb -0.12 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 3f59 s VAL 954 CO 0.02 -0.10 0.86 -0.54 0.00 0.00 0.00 175.10 175.34 3f59 s LYS 955 N -2.33 4.65 0.56 2.72 1.02 -1.26 -2.16 119.74 122.94 3f59 s LYS 955 Ca 0.14 1.29 0.27 0.00 0.02 0.00 0.00 55.97 57.69 3f59 s LYS 955 Cb -0.09 -3.32 1.48 0.00 -0.52 0.00 0.00 37.83 35.39 3f59 s LYS 955 CO 0.07 0.41 2.00 -1.35 -0.92 0.00 0.00 175.35 175.55 3f59 h PRO 956 N 4.89 0.00 -0.92 -1.68 0.11 -1.97 -2.51 132.00 129.92 3f59 h PRO 956 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 3f59 h PRO 956 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3f59 h PRO 956 CO 0.69 0.00 0.60 1.96 -0.21 0.00 0.00 178.00 181.04 3f59 h GLN 957 N 0.00 1.05 0.00 1.05 7.50 -2.05 -1.42 115.11 121.24 3f59 h GLN 957 Ca 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.29 3f59 h GLN 957 Cb 0.93 -0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.22 3f59 h GLN 957 CO -0.00 0.70 0.00 1.63 -1.50 0.00 0.00 178.83 179.65 3f59 n LYS 958 N -4.47 0.16 -0.89 1.46 5.02 -0.95 -5.08 118.16 113.42 3f59 n LYS 958 Ca 0.13 0.15 -0.05 0.00 -2.02 0.00 0.00 58.31 56.52 3f59 n LYS 958 Cb 0.16 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3f59 n LYS 958 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f59 n LEU 959 N -1.36 0.00 -1.11 -0.35 4.32 -0.54 -5.10 117.00 112.87 3f59 n LEU 959 Ca 0.07 -0.41 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 3f59 n LEU 959 Cb 0.16 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3f59 n LEU 959 CO 0.14 -0.62 0.25 0.35 -1.22 0.00 0.00 177.39 176.28 3f59 n THR 961 N -1.84 0.00 -1.22 -5.08 -2.24 -1.26 -5.09 114.28 97.55 3f59 n THR 961 Ca 0.03 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 3f59 n THR 961 Cb 0.12 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.57 3f59 n THR 961 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3f59 s PRO 962 N 1.27 -0.52 -0.02 -0.78 0.02 -1.26 -4.81 135.00 128.90 3f59 s PRO 962 Ca 0.00 0.05 -0.30 0.00 0.02 0.00 0.00 61.00 60.77 3f59 s PRO 962 Cb 0.00 -1.67 -0.08 0.00 0.02 0.00 0.00 34.50 32.77 3f59 s PRO 962 CO 0.00 -3.27 2.00 -2.14 -0.33 0.00 0.00 177.00 173.26 3f59 s PRO 963 N -5.35 3.95 0.21 5.54 0.02 -1.26 -4.93 135.00 133.19 3f59 s PRO 963 Ca 0.69 2.49 -0.31 0.00 0.02 0.00 0.00 61.00 63.89 3f59 s PRO 963 Cb -0.11 -4.20 -0.11 0.00 0.02 0.00 0.00 34.50 30.10 3f59 s PRO 963 CO 0.56 -1.17 1.58 -1.25 -0.33 0.00 0.00 177.00 176.39 3f59 s PRO 964 N 4.80 4.19 -0.19 5.54 0.04 -1.26 -4.99 135.00 143.13 3f59 s PRO 964 Ca 0.90 2.43 0.01 0.00 0.04 0.00 0.00 61.00 64.38 3f59 s PRO 964 Cb -0.40 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.06 3f59 s PRO 964 CO 0.40 -0.60 -0.13 -0.51 0.04 0.00 0.00 177.00 176.20 3f59 s LEU 965 N 0.57 2.19 0.94 -3.56 1.43 -1.26 -5.12 118.68 113.88 3f59 s LEU 965 Ca 0.68 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3f59 s LEU 965 Cb -0.45 -1.28 0.16 0.00 0.03 0.00 0.00 46.19 44.64 3f59 s LEU 965 CO 0.37 -0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.94 3f59 s ALA 966 N 1.38 1.17 0.37 4.21 0.00 -1.26 -4.86 121.76 122.77 3f59 s ALA 966 Ca 0.01 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 3f59 s ALA 966 Cb -0.15 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 3f59 s ALA 966 CO -0.09 -2.73 1.03 0.39 0.00 0.00 0.00 175.76 174.35 3f59 n GLU 967 N -4.17 1.42 -0.86 0.00 4.71 -1.26 -1.41 120.64 119.06 3f59 n GLU 967 Ca 0.08 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 3f59 n GLU 967 Cb 0.54 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 3f59 n GLU 967 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3f59 n GLU 968 N 0.41 0.00 -3.90 3.49 -0.58 -1.26 -5.01 120.64 113.79 3f59 n GLU 968 Ca 0.09 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.52 3f59 n GLU 968 Cb 0.36 -2.64 -0.04 0.00 -0.57 0.00 0.00 31.44 28.55 3f59 n GLU 968 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3f59 s GLU 969 N -0.10 3.45 0.02 3.49 2.02 -0.50 -4.50 118.70 122.58 3f59 s GLU 969 Ca 0.00 -0.41 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 3f59 s GLU 969 Cb 0.00 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.22 3f59 s GLU 969 CO 0.00 0.60 0.28 0.20 0.02 0.00 0.00 175.26 176.36 3f59 s GLY 970 N -2.49 -0.10 -0.07 -1.39 0.00 -0.80 -4.78 107.32 97.70 3f59 s GLY 970 Ca 0.35 0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 3f59 s GLY 970 CO 0.28 -0.14 1.34 1.08 0.00 0.00 0.00 173.10 175.65 3f59 s LEU 971 N -1.78 4.27 0.00 0.66 1.43 -1.26 0.31 118.68 122.31 3f59 s LEU 971 Ca -0.08 1.93 0.23 0.00 -1.03 0.00 0.00 54.13 55.18 3f59 s LEU 971 Cb -0.03 -3.55 0.51 0.00 0.03 0.00 0.00 46.19 43.15 3f59 s LEU 971 CO -0.01 -0.72 1.46 0.00 0.23 0.00 0.00 176.35 177.32 3f59 n ALA 972 N 5.84 2.41 -3.62 4.21 0.00 0.23 -4.84 120.51 124.74 3f59 n ALA 972 Ca 0.13 -1.09 -0.08 0.00 0.00 0.00 0.00 53.44 52.40 3f59 n ALA 972 Cb 0.45 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3f59 n ALA 972 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3f59 s SER 973 N -1.32 -0.20 0.83 0.00 1.04 -1.13 -0.83 113.70 112.10 3f59 s SER 973 Ca 0.42 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 3f59 s SER 973 Cb 0.24 0.68 0.09 0.00 0.10 0.00 0.00 66.02 67.13 3f59 s SER 973 CO 0.32 -1.28 1.09 -0.13 0.98 0.00 0.00 173.24 174.23 3f59 s ARG 974 N -3.95 1.76 0.12 4.02 1.81 -1.26 -4.71 118.95 116.73 3f59 s ARG 974 Ca 0.15 0.99 -0.30 0.00 -1.72 0.00 0.00 55.73 54.85 3f59 s ARG 974 Cb -0.04 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.54 3f59 s ARG 974 CO 0.08 -1.94 1.20 0.42 -0.68 0.00 0.00 175.30 174.38 3f59 s ILE 975 N -2.92 3.81 -0.22 1.52 -1.09 -0.92 -4.58 121.20 116.80 3f59 s ILE 975 Ca 0.62 1.39 -0.07 0.00 -2.23 0.00 0.00 60.65 60.36 3f59 s ILE 975 Cb -0.18 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 3f59 s ILE 975 CO 0.56 0.16 0.06 -0.63 -1.23 0.00 0.00 174.94 173.86 3f59 s ILE 976 N 0.58 4.45 -0.33 2.92 1.01 0.99 -0.66 121.20 130.17 3f59 s ILE 976 Ca 0.56 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3f59 s ILE 976 Cb -0.31 -3.05 0.10 0.00 0.01 0.00 0.00 42.46 39.21 3f59 s ILE 976 CO 0.32 0.39 0.05 0.00 0.00 0.00 0.00 174.94 175.70 3f59 s ALA 977 N 1.08 2.70 -0.04 9.38 0.00 0.02 -1.15 121.76 133.75 3f59 s ALA 977 Ca 0.04 -2.37 -0.14 0.00 0.00 0.00 0.00 51.96 49.49 3f59 s ALA 977 Cb -0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 3f59 s ALA 977 CO 0.03 -1.65 0.37 -0.51 0.00 0.00 0.00 175.76 173.99 3f59 s LEU 978 N 1.01 4.43 0.09 0.00 1.43 -1.26 -2.15 118.68 122.22 3f59 s LEU 978 Ca 0.10 0.85 0.10 0.00 -1.03 0.00 0.00 54.13 54.14 3f59 s LEU 978 Cb -0.19 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3f59 s LEU 978 CO -0.10 0.29 -0.26 -0.83 0.23 0.00 0.00 176.35 175.68 3f59 s GLY 979 N -0.80 1.47 0.27 -3.19 0.00 0.15 -3.57 107.32 101.64 3f59 s GLY 979 Ca 0.22 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 3f59 s GLY 979 CO 0.11 -1.29 1.04 -4.14 0.00 0.00 0.00 173.10 168.82 3f59 s PRO 980 N -1.63 4.72 0.33 2.90 0.02 -1.25 -0.63 135.00 139.45 3f59 s PRO 980 Ca 0.12 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 3f59 s PRO 980 Cb -0.10 -3.22 -0.11 0.00 0.02 0.00 0.00 34.50 31.09 3f59 s PRO 980 CO 0.04 0.32 1.55 2.41 -0.33 0.00 0.00 177.00 180.99 3f59 n THR 981 N 1.29 1.47 -0.93 0.99 -1.04 -1.23 -1.72 114.28 113.11 3f59 n THR 981 Ca -0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3f59 n THR 981 Cb 0.46 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 3f59 n THR 981 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3f59 n GLY 982 N 1.38 0.87 3.66 3.41 0.00 0.08 -5.00 105.19 109.60 3f59 n GLY 982 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3f59 n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f59 n ALA 983 N 0.80 0.78 -4.00 4.61 0.00 -0.70 -4.75 120.51 117.25 3f59 n ALA 983 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 3f59 n ALA 983 Cb 0.00 -2.17 -0.16 0.00 0.00 0.00 0.00 19.45 17.12 3f59 n ALA 983 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f59 s GLN 984 N -1.77 1.98 0.26 0.00 -1.52 -1.26 -1.97 119.66 115.37 3f59 s GLN 984 Ca 0.56 -1.01 -0.09 0.00 -1.95 0.00 0.00 55.36 52.87 3f59 s GLN 984 Cb -0.61 -2.59 -0.07 0.00 -0.22 0.00 0.00 33.01 29.52 3f59 s GLN 984 CO 0.61 -0.51 0.58 -0.06 -0.25 0.00 0.00 175.29 175.67 3f59 s PHE 985 N 1.32 3.43 -0.18 0.91 0.08 0.19 -4.99 117.98 118.75 3f59 s PHE 985 Ca -0.04 0.87 0.29 0.00 0.12 0.00 0.00 56.93 58.17 3f59 s PHE 985 Cb -0.18 -2.27 1.14 0.00 -0.57 0.00 0.00 43.02 41.14 3f59 s PHE 985 CO -0.07 0.21 1.86 -0.07 -0.10 0.00 0.00 175.22 177.05 3f59 h LEU 986 N 2.28 0.00 -7.59 -0.37 3.38 -1.11 -3.46 115.31 108.45 3f59 h LEU 986 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3f59 h LEU 986 Cb 1.17 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 3f59 h LEU 986 CO 0.68 0.00 0.06 -0.44 0.09 0.00 0.00 178.44 178.83 3f59 s SER 987 N -5.17 -0.30 0.61 -0.43 0.01 -1.26 -4.99 113.70 102.17 3f59 s SER 987 Ca 0.03 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.69 3f59 s SER 987 Cb 0.09 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.88 3f59 s SER 987 CO 0.50 -1.05 1.22 -2.84 0.41 0.00 0.00 173.24 171.48 3f59 s PRO 988 N -3.86 2.88 0.41 12.44 0.02 -1.26 -4.79 135.00 140.84 3f59 s PRO 988 Ca 0.08 1.86 0.07 0.00 0.02 0.00 0.00 61.00 63.03 3f59 s PRO 988 Cb -0.01 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 3f59 s PRO 988 CO -0.04 -1.29 0.10 0.14 -0.33 0.00 0.00 177.00 175.58 3f59 s VAL 989 N -1.58 2.17 -0.04 3.83 -7.23 0.84 -4.63 120.40 113.76 3f59 s VAL 989 Ca 0.78 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 3f59 s VAL 989 Cb -0.31 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.63 3f59 s VAL 989 CO 0.34 -0.01 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.32 3f59 s ILE 990 N -2.65 1.45 -0.08 -0.62 1.01 -0.32 -1.98 121.20 118.02 3f59 s ILE 990 Ca 0.38 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 3f59 s ILE 990 Cb 0.07 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.32 3f59 s ILE 990 CO 0.20 0.42 -0.03 -0.69 0.00 0.00 0.00 174.94 174.84 3f59 s VAL 991 N -0.05 0.61 -0.16 2.92 1.01 -0.09 -0.49 120.40 124.15 3f59 s VAL 991 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3f59 s VAL 991 Cb -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3f59 s VAL 991 CO 0.02 0.29 -0.01 -1.61 0.00 0.00 0.00 175.10 173.78 3f59 s GLU 992 N 1.64 3.73 -0.08 2.72 2.02 -0.11 0.57 118.70 129.19 3f59 s GLU 992 Ca 0.01 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.55 3f59 s GLU 992 Cb -0.13 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.13 3f59 s GLU 992 CO -0.05 0.27 -0.09 0.42 0.02 0.00 0.00 175.26 175.83 3f59 s ILE 993 N 0.31 1.00 0.38 -1.63 1.09 0.37 -1.68 121.20 121.05 3f59 s ILE 993 Ca -0.02 -0.35 -0.26 0.00 -1.10 0.00 0.00 60.65 58.92 3f59 s ILE 993 Cb -0.14 -0.97 -0.09 0.00 -1.06 0.00 0.00 42.46 40.21 3f59 s ILE 993 CO 0.02 0.34 1.22 -2.16 -0.10 0.00 0.00 174.94 174.26 3f59 s PRO 994 N 1.09 4.12 0.34 2.79 0.04 -1.26 -0.80 135.00 141.31 3f59 s PRO 994 Ca -0.07 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.03 3f59 s PRO 994 Cb -0.14 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 3f59 s PRO 994 CO -0.01 -0.31 0.08 -3.38 0.04 0.00 0.00 177.00 173.42 3f59 s HIS 995 N -1.31 2.64 -0.03 0.56 -3.43 -0.34 -4.80 115.29 108.58 3f59 s HIS 995 Ca 0.55 -0.40 -0.11 0.00 -0.80 0.00 0.00 55.06 54.30 3f59 s HIS 995 Cb -0.34 -1.56 -0.06 0.00 -1.43 0.00 0.00 32.58 29.19 3f59 s HIS 995 CO 0.43 0.41 0.57 0.74 -2.00 0.00 0.00 174.74 174.89 3f59 h PHE 996 N 1.67 -0.37 -2.59 0.38 0.04 -1.29 -3.46 116.94 111.32 3f59 h PHE 996 Ca -0.43 -0.01 -0.71 0.00 2.80 0.00 0.00 57.97 59.62 3f59 h PHE 996 Cb 1.25 0.12 -0.19 0.00 2.20 0.00 0.00 35.95 39.34 3f59 h PHE 996 CO 0.66 -0.23 0.75 0.16 -0.60 0.00 0.00 178.31 179.05 3f59 s ASP 1003N -4.26 6.67 1.06 2.17 1.47 -1.26 -5.02 116.67 117.49 3f59 s ASP 1003Ca -0.06 -2.17 -0.12 0.00 1.18 0.00 0.00 52.55 51.38 3f59 s ASP 1003Cb 0.01 -2.37 0.23 0.00 -0.34 0.00 0.00 42.92 40.44 3f59 s ASP 1003CO 0.17 -0.98 1.08 -0.13 0.68 0.00 0.00 175.17 175.99 3f59 s ARG 1004N 2.28 -0.10 -0.00 2.11 1.81 -1.26 -5.04 118.95 118.75 3f59 s ARG 1004Ca 0.31 1.13 0.03 0.00 -1.72 0.00 0.00 55.73 55.48 3f59 s ARG 1004Cb -0.05 -1.63 -0.03 0.00 -0.45 0.00 0.00 34.95 32.78 3f59 s ARG 1004CO -0.09 -3.26 -0.06 -2.00 -0.68 0.00 0.00 175.30 169.21 3f59 s GLU 1005N -4.55 2.58 -0.17 3.54 2.12 0.58 -4.89 118.70 117.92 3f59 s GLU 1005Ca 0.68 -0.70 -0.10 0.00 0.36 0.00 0.00 54.97 55.21 3f59 s GLU 1005Cb -0.24 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 3f59 s GLU 1005CO 0.62 0.61 0.16 -0.51 -0.54 0.00 0.00 175.26 175.59 3f59 s LEU 1006N -1.37 4.27 -0.01 2.70 1.43 -1.26 -0.78 118.68 123.66 3f59 s LEU 1006Ca 0.17 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 3f59 s LEU 1006Cb -0.11 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3f59 s LEU 1006CO 0.07 0.24 -0.13 0.54 0.23 0.00 0.00 176.35 177.30 3f59 s VAL 1007N -0.04 1.02 -0.17 -1.59 0.11 0.44 -4.98 120.40 115.19 3f59 s VAL 1007Ca 0.11 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.38 3f59 s VAL 1007Cb -0.12 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 3f59 s VAL 1007CO 0.01 0.26 0.58 -0.69 -3.33 0.00 0.00 175.10 171.92 3f59 s VAL 1008N -0.35 5.08 0.09 2.04 1.01 -1.26 -1.00 120.40 126.01 3f59 s VAL 1008Ca 0.05 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.17 3f59 s VAL 1008Cb -0.05 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3f59 s VAL 1008CO -0.00 0.18 0.00 -0.76 0.00 0.00 0.00 175.10 174.52 3f59 s LEU 1009N 1.53 3.48 0.14 3.92 1.43 -0.31 -0.03 118.68 128.84 3f59 s LEU 1009Ca 0.27 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3f59 s LEU 1009Cb -0.16 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3f59 s LEU 1009CO 0.11 0.17 -0.10 0.00 0.23 0.00 0.00 176.35 176.76 3f59 s ARG 1010N -2.34 1.02 -0.04 1.70 1.70 0.51 -1.28 118.95 120.21 3f59 s ARG 1010Ca 0.26 -1.39 -0.01 0.00 -0.47 0.00 0.00 55.73 54.13 3f59 s ARG 1010Cb -0.12 -0.61 0.03 0.00 -0.57 0.00 0.00 34.95 33.68 3f59 s ARG 1010CO 0.19 0.08 0.03 0.45 -1.08 0.00 0.00 175.30 174.96 3f59 s SER 1011N -3.00 0.83 0.12 -2.89 0.15 -0.38 -0.90 113.70 107.63 3f59 s SER 1011Ca 0.14 0.01 -0.14 0.00 0.70 0.00 0.00 55.95 56.67 3f59 s SER 1011Cb 0.01 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 3f59 s SER 1011CO 0.00 -0.18 1.51 -0.33 1.20 0.00 0.00 173.24 175.45 3f59 h GLU 1012N 7.88 0.77 0.00 5.44 4.39 -1.86 -2.05 114.58 129.16 3f59 h GLU 1012Ca -0.28 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 3f59 h GLU 1012Cb 1.12 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 3f59 h GLU 1012CO 0.32 0.93 -0.67 0.27 -1.16 0.00 0.00 179.01 178.70 3f59 n ASN 1013N -4.31 0.54 0.00 1.42 0.23 -1.26 -2.11 115.26 109.77 3f59 n ASN 1013Ca -0.02 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 3f59 n ASN 1013Cb 0.38 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3f59 n ASN 1013CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f59 n GLY 1014N 0.07 2.97 0.15 4.83 0.00 -1.26 -4.90 105.19 107.05 3f59 n GLY 1014Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3f59 n GLY 1014CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3f59 h SER 1015N 0.00 -0.22 -3.72 1.61 0.02 -1.93 -3.46 113.55 105.85 3f59 h SER 1015Ca 0.00 -0.30 -0.68 0.00 -0.84 0.00 0.00 61.79 59.97 3f59 h SER 1015Cb 0.00 0.06 -0.18 0.00 0.14 0.00 0.00 62.40 62.41 3f59 h SER 1015CO 0.00 0.25 -0.74 -0.69 -1.14 0.00 0.00 176.83 174.51 3f59 s VAL 1016N -4.03 3.34 -0.05 2.27 1.01 -1.26 -4.99 120.40 116.68 3f59 s VAL 1016Ca -0.14 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3f59 s VAL 1016Cb 0.01 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3f59 s VAL 1016CO 0.53 0.34 -0.08 0.26 0.00 0.00 0.00 175.10 176.14 3f59 s TRP 1017N -1.01 2.88 0.24 5.22 0.52 -1.26 -4.23 118.94 121.30 3f59 s TRP 1017Ca 0.17 -0.03 -0.10 0.00 0.02 0.00 0.00 56.10 56.16 3f59 s TRP 1017Cb -0.11 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3f59 s TRP 1017CO 0.08 0.31 0.42 -1.59 0.02 0.00 0.00 176.95 176.18 3f59 s LYS 1018N -0.91 1.50 0.03 4.98 -2.85 -0.08 -4.97 119.74 117.44 3f59 s LYS 1018Ca 0.13 -1.33 -0.27 0.00 -1.00 0.00 0.00 55.97 53.49 3f59 s LYS 1018Cb -0.11 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 3f59 s LYS 1018CO 0.02 -0.60 0.86 -2.00 0.10 0.00 0.00 175.35 173.73 3f59 s GLU 1019N -4.01 4.56 -0.34 1.78 2.12 -1.26 -0.37 118.70 121.17 3f59 s GLU 1019Ca 0.26 1.22 -0.15 0.00 0.36 0.00 0.00 54.97 56.66 3f59 s GLU 1019Cb 0.01 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 3f59 s GLU 1019CO 0.10 0.15 0.36 -1.58 -0.54 0.00 0.00 175.26 173.75 3f59 s HIS 1020N 0.36 3.21 -0.21 5.30 5.65 0.96 -4.84 115.29 125.71 3f59 s HIS 1020Ca 0.44 -0.04 0.01 0.00 0.25 0.00 0.00 55.06 55.72 3f59 s HIS 1020Cb -0.21 -2.67 0.03 0.00 -1.18 0.00 0.00 32.58 28.55 3f59 s HIS 1020CO 0.25 -0.44 -0.15 0.50 -0.65 0.00 0.00 174.74 174.26 3f59 s ARG 1021N 2.01 2.82 0.13 2.88 3.52 -1.26 -4.54 118.95 124.51 3f59 s ARG 1021Ca 0.12 -0.96 -0.33 0.00 -0.13 0.00 0.00 55.73 54.43 3f59 s ARG 1021Cb -0.17 -2.74 -0.12 0.00 -1.56 0.00 0.00 34.95 30.36 3f59 s ARG 1021CO 0.12 -0.32 1.72 0.45 -0.81 0.00 0.00 175.30 176.45 3f59 n SER 1022N 4.60 3.62 0.00 -2.12 2.88 -1.26 -4.87 113.62 116.47 3f59 n SER 1022Ca -0.18 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.50 3f59 n SER 1022Cb 0.48 -1.49 0.49 0.00 -0.75 0.00 0.00 64.21 62.94 3f59 n SER 1022CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3f59 n ARG 1023N 4.53 0.00 -0.05 -1.46 1.74 -1.26 -4.00 116.66 116.16 3f59 n ARG 1023Ca 0.18 0.11 -0.05 0.00 -0.77 0.00 0.00 57.85 57.32 3f59 n ARG 1023Cb 0.33 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3f59 n ARG 1023CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3f59 n TYR 1024N -1.50 0.16 -4.14 -1.55 4.01 -1.26 -5.12 117.16 107.77 3f59 n TYR 1024Ca 0.06 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3f59 n TYR 1024Cb 0.27 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 3f59 n TYR 1024CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f59 n GLY 1025N 1.53 -1.91 0.20 2.72 0.00 -1.26 -4.47 105.19 102.00 3f59 n GLY 1025Ca -0.07 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.65 3f59 n GLY 1025CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f59 h GLU 1026N 0.00 0.00 -0.28 1.61 4.39 -1.99 -2.87 114.58 115.44 3f59 h GLU 1026Ca 0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3f59 h GLU 1026Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3f59 h GLU 1026CO 0.00 0.34 0.31 0.77 -1.16 0.00 0.00 179.01 179.27 3f59 h SER 1027N 0.00 0.00 -0.17 1.42 0.02 -2.03 -2.93 113.55 109.86 3f59 h SER 1027Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3f59 h SER 1027Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3f59 h SER 1027CO 0.04 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.51 3f59 n TYR 1028N -3.77 0.47 -0.22 3.45 4.01 -1.08 -4.76 117.16 115.26 3f59 n TYR 1028Ca 0.04 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 3f59 n TYR 1028Cb 0.45 -0.18 0.12 0.00 -0.31 0.00 0.00 39.34 39.42 3f59 n TYR 1028CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3f59 h LEU 1029N 1.12 0.39 -0.71 7.72 5.85 -1.63 0.20 115.31 128.25 3f59 h LEU 1029Ca 0.00 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3f59 h LEU 1029Cb 1.06 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3f59 h LEU 1029CO 0.09 0.23 0.19 0.44 -0.34 0.00 0.00 178.44 179.05 3f59 h ASP 1030N 0.54 1.06 -0.43 1.25 3.32 -1.86 -1.14 116.42 119.17 3f59 h ASP 1030Ca 0.32 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3f59 h ASP 1030Cb 0.33 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3f59 h ASP 1030CO -0.26 1.01 0.13 1.56 -1.72 0.00 0.00 179.24 179.96 3f59 h GLN 1031N 1.06 0.67 -0.61 3.56 7.50 -1.50 -2.96 115.11 122.84 3f59 h GLN 1031Ca 0.22 -0.15 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 3f59 h GLN 1031Cb 0.36 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.76 3f59 h GLN 1031CO -0.00 0.66 0.32 0.82 -1.50 0.00 0.00 178.83 179.13 3f59 h ILE 1032N 0.55 1.19 0.00 2.54 2.04 -0.34 -2.61 117.51 120.88 3f59 h ILE 1032Ca 0.14 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3f59 h ILE 1032Cb 0.27 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3f59 h ILE 1032CO -0.00 0.21 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 3f59 h LEU 1033N 0.85 0.00 -1.97 1.44 3.38 -1.05 -3.44 115.31 114.51 3f59 h LEU 1033Ca 0.21 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.76 3f59 h LEU 1033Cb 0.05 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.84 3f59 h LEU 1033CO -0.03 0.00 -0.85 -3.20 0.09 0.00 0.00 178.44 174.45 3f59 n ASN 1034N -3.00 -1.65 0.00 -0.43 5.15 -0.99 -0.91 115.26 113.43 3f59 n ASN 1034Ca 0.02 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 3f59 n ASN 1034Cb 0.37 -3.88 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 3f59 n ASN 1034CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f59 n GLY 1035N -1.63 1.39 3.65 8.20 0.00 -1.26 -4.70 105.19 110.84 3f59 n GLY 1035Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3f59 n GLY 1035CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3f59 n MET 1036N -2.00 1.44 -2.14 1.61 1.56 -0.09 -4.85 117.12 112.66 3f59 n MET 1036Ca 0.00 0.52 -0.42 0.00 -0.27 0.00 0.00 57.70 57.53 3f59 n MET 1036Cb 0.00 -2.23 0.00 0.00 2.15 0.00 0.00 33.22 33.14 3f59 n MET 1036CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3f59 n ASP 1037N -0.06 5.48 -3.76 6.12 2.03 -1.26 -4.87 116.55 120.23 3f59 n ASP 1037Ca 0.10 -3.05 -0.15 0.00 0.52 0.00 0.00 54.79 52.21 3f59 n ASP 1037Cb 0.42 -1.49 -0.15 0.00 -0.72 0.00 0.00 41.12 39.17 3f59 n ASP 1037CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3f59 s GLU 1038N 0.70 0.01 -0.39 -0.67 0.41 -1.26 -5.12 118.70 112.38 3f59 s GLU 1038Ca 0.44 0.27 -0.19 0.00 -0.41 0.00 0.00 54.97 55.09 3f59 s GLU 1038Cb 0.12 -0.23 0.01 0.00 -1.78 0.00 0.00 34.13 32.25 3f59 s GLU 1038CO -0.03 -0.17 0.54 -1.21 -0.49 0.00 0.00 175.26 173.89 3f59 s GLU 1039N 1.16 3.43 -0.08 1.61 0.41 -1.26 -5.05 118.70 118.91 3f59 s GLU 1039Ca -0.09 -0.33 -0.07 0.00 -0.41 0.00 0.00 54.97 54.07 3f59 s GLU 1039Cb -0.12 -3.88 -0.04 0.00 -1.78 0.00 0.00 34.13 28.31 3f59 s GLU 1039CO -0.04 -0.79 0.19 -0.51 -0.49 0.00 0.00 175.26 173.62 3f59 s LEU 1040N 2.47 4.39 0.44 1.80 1.43 -1.26 -5.09 118.68 122.86 3f59 s LEU 1040Ca 0.19 0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 53.64 3f59 s LEU 1040Cb -0.15 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.73 3f59 s LEU 1040CO 0.15 0.37 0.89 -0.83 0.23 0.00 0.00 176.35 177.16 3f59 s GLY 1041N -1.21 2.14 1.04 -3.19 0.00 -1.26 -5.06 107.32 99.77 3f59 s GLY 1041Ca 0.19 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 3f59 s GLY 1041CO 0.08 0.36 1.07 -1.35 0.00 0.00 0.00 173.10 173.26 3f59 s SER 1042N -2.81 2.11 0.26 1.64 1.04 -1.26 -4.76 113.70 109.92 3f59 s SER 1042Ca 0.57 1.57 -0.00 0.00 0.48 0.00 0.00 55.95 58.57 3f59 s SER 1042Cb -0.10 -2.25 0.33 0.00 0.10 0.00 0.00 66.02 64.10 3f59 s SER 1042CO 0.26 -3.51 1.69 -0.07 0.98 0.00 0.00 173.24 172.60 3f59 h LEU 1043N -2.15 0.61 -0.06 2.42 3.38 -1.98 -0.30 115.31 117.23 3f59 h LEU 1043Ca -0.55 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.24 3f59 h LEU 1043Cb 1.31 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3f59 h LEU 1043CO 0.51 0.83 -0.06 -0.33 0.09 0.00 0.00 178.44 179.47 3f59 h GLU 1044N 0.54 -0.08 -0.64 1.13 5.08 -1.99 0.40 114.58 119.02 3f59 h GLU 1044Ca 0.08 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3f59 h GLU 1044Cb 0.67 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3f59 h GLU 1044CO 0.05 -0.05 0.35 0.93 -1.00 0.00 0.00 179.01 179.29 3f59 h GLU 1045N -0.08 0.64 -0.33 2.33 5.08 -1.78 -1.29 114.58 119.14 3f59 h GLU 1045Ca 0.05 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3f59 h GLU 1045Cb 0.15 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3f59 h GLU 1045CO -0.11 0.42 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.13 3f59 h LEU 1046N 0.66 0.55 -0.26 1.33 4.07 -0.86 -2.38 115.31 118.42 3f59 h LEU 1046Ca 0.28 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 3f59 h LEU 1046Cb 0.17 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3f59 h LEU 1046CO -0.17 0.70 0.16 -0.33 -1.08 0.00 0.00 178.44 177.72 3f59 h GLU 1047N 0.52 0.35 -0.33 1.13 5.08 0.02 -0.19 114.58 121.16 3f59 h GLU 1047Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3f59 h GLU 1047Cb 0.51 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3f59 h GLU 1047CO 0.03 0.27 0.13 0.87 -1.00 0.00 0.00 179.01 179.30 3f59 h LYS 1048N 0.34 0.47 -0.15 2.33 1.57 -0.98 -1.99 116.57 118.15 3f59 h LYS 1048Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3f59 h LYS 1048Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3f59 h LYS 1048CO -0.02 0.40 0.00 1.63 -0.57 0.00 0.00 179.45 180.89 3f59 n LYS 1049N -4.40 1.75 -3.69 3.15 5.02 -0.92 -4.96 118.16 114.12 3f59 n LYS 1049Ca 0.02 -1.12 -0.30 0.00 -2.02 0.00 0.00 58.31 54.89 3f59 n LYS 1049Cb 0.14 -1.41 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3f59 n LYS 1049CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3f59 n ARG 1050N 0.35 -1.61 -4.40 1.97 1.74 -0.33 -4.89 116.66 109.49 3f59 n ARG 1050Ca 0.17 0.48 -0.22 0.00 -0.77 0.00 0.00 57.85 57.50 3f59 n ARG 1050Cb 0.34 -4.27 -0.16 0.00 -1.02 0.00 0.00 32.46 27.35 3f59 n ARG 1050CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f59 s VAL 1051N -3.51 0.84 -0.09 1.55 1.01 -0.23 -1.20 120.40 118.76 3f59 s VAL 1051Ca 0.41 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3f59 s VAL 1051Cb -0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3f59 s VAL 1051CO 0.86 0.28 0.12 0.00 0.00 0.00 0.00 175.10 176.35 3f59 s ARG 1053N -1.19 3.57 -0.21 0.00 3.52 -1.26 -0.48 118.95 122.90 3f59 s ARG 1053Ca 0.17 -0.53 -0.09 0.00 -0.13 0.00 0.00 55.73 55.16 3f59 s ARG 1053Cb -0.12 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3f59 s ARG 1053CO 0.07 -0.16 0.11 0.42 -0.81 0.00 0.00 175.30 174.92 3f59 s ILE 1054N 1.49 5.04 -0.22 4.11 1.01 0.19 -4.97 121.20 127.85 3f59 s ILE 1054Ca 0.06 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 3f59 s ILE 1054Cb -0.15 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3f59 s ILE 1054CO 0.01 0.41 0.01 -0.63 0.00 0.00 0.00 174.94 174.74 3f59 s ILE 1055N 0.72 3.94 0.01 2.92 1.01 -1.26 -0.92 121.20 127.62 3f59 s ILE 1055Ca 0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 3f59 s ILE 1055Cb -0.13 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3f59 s ILE 1055CO 0.02 0.40 0.19 0.28 0.00 0.00 0.00 174.94 175.82 3f59 s THR 1056N 1.33 0.08 -1.71 2.92 -1.32 -0.84 -4.37 115.64 111.74 3f59 s THR 1056Ca 0.04 -0.70 0.20 0.00 -1.21 0.00 0.00 61.69 60.03 3f59 s THR 1056Cb -0.15 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 3f59 s THR 1056CO 0.01 -0.38 0.98 0.35 -2.21 0.00 0.00 174.62 173.37 3f59 n THR 1057N 1.22 0.00 -4.19 5.08 -2.24 -1.26 -0.12 114.28 112.76 3f59 n THR 1057Ca -0.22 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 3f59 n THR 1057Cb 0.56 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.90 3f59 n THR 1057CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3f59 s ASP 1058N -2.37 0.26 -0.33 3.42 -4.77 -1.26 0.57 116.67 112.19 3f59 s ASP 1058Ca 0.15 -1.34 -0.04 0.00 -3.30 0.00 0.00 52.55 48.02 3f59 s ASP 1058Cb 0.16 0.34 0.05 0.00 -1.09 0.00 0.00 42.92 42.39 3f59 s ASP 1058CO 0.56 -0.80 0.08 -0.36 0.70 0.00 0.00 175.17 175.35 3f59 s PHE 1059N -4.10 3.30 0.91 2.11 0.08 -0.83 -4.99 117.98 114.45 3f59 s PHE 1059Ca 0.35 -1.73 -0.12 0.00 0.12 0.00 0.00 56.93 55.55 3f59 s PHE 1059Cb 0.07 -2.35 0.14 0.00 -0.57 0.00 0.00 43.02 40.30 3f59 s PHE 1059CO 0.09 -0.79 1.12 -1.25 -0.10 0.00 0.00 175.22 174.29 3f59 s PRO 1060N 1.31 1.18 0.18 0.24 0.04 -1.26 -0.74 135.00 135.95 3f59 s PRO 1060Ca -0.02 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 61.27 3f59 s PRO 1060Cb -0.20 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.67 3f59 s PRO 1060CO 0.00 -2.19 1.71 1.25 0.04 0.00 0.00 177.00 177.81 3f59 h LEU 1061N -1.50 -0.05 -8.19 -3.56 5.85 -0.84 -3.40 115.31 103.62 3f59 h LEU 1061Ca -0.51 0.09 -0.38 0.00 0.84 0.00 0.00 57.88 57.92 3f59 h LEU 1061Cb 1.32 0.13 -0.25 0.00 0.37 0.00 0.00 40.66 42.23 3f59 h LEU 1061CO 0.61 0.01 -0.77 -0.31 -0.34 0.00 0.00 178.44 177.63 3f59 s TYR 1062N -6.15 0.94 0.22 1.25 2.02 -0.84 -4.22 117.35 110.56 3f59 s TYR 1062Ca -0.13 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.33 3f59 s TYR 1062Cb 0.15 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 41.10 3f59 s TYR 1062CO 0.72 -0.00 0.02 -0.06 -1.57 0.00 0.00 175.55 174.66 3f59 s PHE 1063N -0.76 2.83 -0.19 2.71 0.08 -0.30 -1.25 117.98 121.09 3f59 s PHE 1063Ca -0.01 -0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.67 3f59 s PHE 1063Cb -0.07 -1.32 0.06 0.00 -0.57 0.00 0.00 43.02 41.12 3f59 s PHE 1063CO 0.01 0.55 0.59 0.54 -0.10 0.00 0.00 175.22 176.81 3f59 s VAL 1064N -1.98 0.00 -0.10 -0.44 0.11 -0.41 -0.01 120.40 117.57 3f59 s VAL 1064Ca 0.29 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.14 3f59 s VAL 1064Cb -0.08 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3f59 s VAL 1064CO 0.20 -0.01 0.49 -0.63 -3.33 0.00 0.00 175.10 171.81 3f59 s ILE 1065N 0.07 5.15 -0.01 7.04 1.09 -1.26 -1.16 121.20 132.12 3f59 s ILE 1065Ca -0.02 0.99 0.06 0.00 -1.10 0.00 0.00 60.65 60.58 3f59 s ILE 1065Cb -0.04 -3.83 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 3f59 s ILE 1065CO 0.02 0.34 -0.20 -0.32 -0.10 0.00 0.00 174.94 174.68 3f59 s MET 1066N 0.47 2.22 0.03 2.79 1.75 -0.17 0.75 119.30 127.14 3f59 s MET 1066Ca 0.27 -0.87 -0.01 0.00 -1.25 0.00 0.00 55.69 53.82 3f59 s MET 1066Cb -0.16 -2.19 -0.04 0.00 2.84 0.00 0.00 34.83 35.29 3f59 s MET 1066CO 0.11 0.58 0.20 -1.54 -0.65 0.00 0.00 175.02 173.72 3f59 s SER 1067N -0.87 6.37 0.00 1.11 1.04 0.15 -0.42 113.70 121.08 3f59 s SER 1067Ca 0.12 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3f59 s SER 1067Cb -0.10 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.03 3f59 s SER 1067CO 0.01 0.21 0.00 -2.11 0.98 0.00 0.00 173.24 172.33