#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f59 h THR 911 N 0.00 1.54 0.00 0.00 1.35 -2.05 -3.47 112.91 110.29 3f59 h THR 911 Ca 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 3f59 h THR 911 Cb 0.00 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3f59 h THR 911 CO 0.00 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 3f59 n GLY 912 N 0.66 0.87 3.38 5.82 0.00 -1.26 -5.03 105.19 109.62 3f59 n GLY 912 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3f59 n GLY 912 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f59 s PHE 913 N -3.43 2.12 0.10 1.61 0.08 -1.26 -4.70 117.98 112.50 3f59 s PHE 913 Ca 0.00 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.52 3f59 s PHE 913 Cb 0.00 -1.09 -0.11 0.00 -0.57 0.00 0.00 43.02 41.25 3f59 s PHE 913 CO 0.00 0.38 1.38 -0.07 -0.10 0.00 0.00 175.22 176.81 3f59 h LEU 914 N 3.50 0.84 -7.92 -0.37 3.38 0.09 -3.46 115.31 111.37 3f59 h LEU 914 Ca -0.46 -0.53 -0.12 0.00 0.09 0.00 0.00 57.88 56.85 3f59 h LEU 914 Cb 1.19 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 3f59 h LEU 914 CO 0.45 1.21 -0.52 0.68 0.09 0.00 0.00 178.44 180.35 3f59 s VAL 915 N -4.12 0.14 -0.30 1.22 -7.23 -1.19 -4.47 120.40 104.45 3f59 s VAL 915 Ca -0.12 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 58.82 3f59 s VAL 915 Cb 0.09 -0.99 0.17 0.00 0.56 0.00 0.00 36.38 36.20 3f59 s VAL 915 CO 0.86 -0.64 0.71 -0.55 -0.31 0.00 0.00 175.10 175.17 3f59 s SER 916 N -2.27 -1.11 0.09 4.85 0.15 -1.25 -1.37 113.70 112.79 3f59 s SER 916 Ca -0.03 1.03 -0.24 0.00 0.70 0.00 0.00 55.95 57.41 3f59 s SER 916 Cb 0.00 2.07 0.07 0.00 -1.71 0.00 0.00 66.02 66.45 3f59 s SER 916 CO -0.06 -0.21 0.60 0.72 1.20 0.00 0.00 173.24 175.49 3f59 s PHE 917 N 2.83 -0.54 0.14 3.44 -0.12 -0.28 -4.99 117.98 118.47 3f59 s PHE 917 Ca 0.07 0.52 -0.14 0.00 -0.05 0.00 0.00 56.93 57.33 3f59 s PHE 917 Cb -0.12 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.68 3f59 s PHE 917 CO -0.19 -0.76 0.54 -1.64 -0.05 0.00 0.00 175.22 173.13 3f59 s MET 918 N -2.97 3.97 0.01 1.99 -1.94 -1.26 -0.52 119.30 118.58 3f59 s MET 918 Ca -0.03 0.48 -0.05 0.00 -1.71 0.00 0.00 55.69 54.38 3f59 s MET 918 Cb -0.01 -2.94 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 3f59 s MET 918 CO -0.06 0.48 0.08 0.54 -0.01 0.00 0.00 175.02 176.05 3f59 s VAL 919 N -1.46 0.09 0.00 -6.03 0.11 -0.24 -4.94 120.40 107.93 3f59 s VAL 919 Ca 0.37 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3f59 s VAL 919 Cb -0.15 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3f59 s VAL 919 CO 0.19 -0.42 0.00 -0.90 -3.33 0.00 0.00 175.10 170.64 3f59 n ASP 920 N 1.50 0.67 0.33 3.54 5.68 -1.26 -0.14 116.55 126.86 3f59 n ASP 920 Ca -0.23 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.23 3f59 n ASP 920 Cb 0.55 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.47 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 1.28 0.00 2.12 0.00 -1.80 0.72 119.26 122.57 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 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3f59 h ARG 922 N 0.00 0.00 -0.08 0.00 3.08 -1.91 0.75 114.38 116.23 3f59 h ARG 922 Ca 0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3f59 h ARG 922 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3f59 h ARG 922 CO -0.00 0.00 -0.01 0.41 -1.07 0.00 0.00 179.97 179.30 3f59 n GLY 923 N 0.39 -1.31 0.00 0.04 0.00 0.24 -4.01 105.19 100.55 3f59 n GLY 923 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.12 1.15 3.32 -0.02 0.00 0.27 -4.60 105.19 104.18 3f59 n GLY 924 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.22 -0.05 1.61 1.04 -1.26 -0.46 113.70 114.36 3f59 s SER 925 Ca 0.00 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 3f59 s SER 925 Cb 0.00 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3f59 s SER 925 CO 0.00 -0.86 0.28 -0.32 0.98 0.00 0.00 173.24 173.32 3f59 s MET 926 N -3.81 0.50 0.09 4.02 1.75 -0.68 -5.02 119.30 116.15 3f59 s MET 926 Ca 0.03 0.04 0.04 0.00 -1.25 0.00 0.00 55.69 54.55 3f59 s MET 926 Cb 0.02 0.22 -0.04 0.00 2.84 0.00 0.00 34.83 37.87 3f59 s MET 926 CO -0.11 -0.11 0.07 1.03 -0.65 0.00 0.00 175.02 175.24 3f59 s ARG 927 N -0.68 2.80 0.79 4.11 0.52 -1.26 -1.49 118.95 123.74 3f59 s ARG 927 Ca -0.08 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.27 3f59 s ARG 927 Cb -0.04 -2.67 0.06 0.00 0.52 0.00 0.00 34.95 32.82 3f59 s ARG 927 CO 0.02 0.55 1.09 0.20 0.02 0.00 0.00 175.30 177.18 3f59 s GLY 928 N -2.48 1.64 0.40 -3.53 0.00 0.63 -4.92 107.32 99.07 3f59 s GLY 928 Ca 0.29 -0.06 0.29 0.00 0.00 0.00 0.00 44.72 45.23 3f59 s GLY 928 CO 0.21 0.34 1.85 1.48 0.00 0.00 0.00 173.10 176.98 3f59 h SER 929 N -1.08 0.00 -3.79 1.64 4.64 -1.90 -3.44 113.55 109.62 3f59 h SER 929 Ca -0.46 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.37 3f59 h SER 929 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3f59 h SER 929 CO 0.57 0.00 0.26 -0.13 -0.87 0.00 0.00 176.83 176.66 3f59 s ARG 930 N -3.50 4.43 0.47 4.77 0.52 -1.26 -5.02 118.95 119.37 3f59 s ARG 930 Ca 0.03 1.14 -0.25 0.00 -0.52 0.00 0.00 55.73 56.13 3f59 s ARG 930 Cb 0.09 -2.78 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 3f59 s ARG 930 CO 0.46 0.29 1.39 1.58 0.02 0.00 0.00 175.30 179.04 3f59 n HIS 931 N 0.51 2.50 -4.16 -0.53 -0.00 -1.26 -2.02 115.22 110.26 3f59 n HIS 931 Ca 0.01 0.45 -0.30 0.00 -0.00 0.00 0.00 57.72 57.88 3f59 n HIS 931 Cb 0.51 -2.42 -0.09 0.00 -0.00 0.00 0.00 29.99 27.99 3f59 n HIS 931 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3f59 n ASN 932 N -0.29 0.49 -0.20 0.26 3.02 -1.26 -4.90 115.26 112.39 3f59 n ASN 932 Ca 0.07 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3f59 n ASN 932 Cb 0.42 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 3f59 n ASN 932 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f59 n GLY 933 N -2.23 1.78 3.77 7.41 0.00 -0.86 -4.57 105.19 110.49 3f59 n GLY 933 Ca -0.24 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 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 4.27 -0.02 0.99 2.96 -1.26 -4.52 118.68 121.10 3f59 s LEU 934 Ca 0.00 2.40 -0.00 0.00 -0.22 0.00 0.00 54.13 56.31 3f59 s LEU 934 Cb 0.00 -3.92 0.02 0.00 0.50 0.00 0.00 46.19 42.79 3f59 s LEU 934 CO 0.00 -0.61 0.03 -0.60 -1.32 0.00 0.00 176.35 173.86 3f59 s ARG 935 N -2.13 -0.02 -0.19 1.98 3.52 -0.37 -0.27 118.95 121.48 3f59 s ARG 935 Ca 0.54 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 56.29 3f59 s ARG 935 Cb -0.32 -0.18 0.00 0.00 -1.56 0.00 0.00 34.95 32.89 3f59 s ARG 935 CO 0.41 -0.13 -0.13 0.08 -0.81 0.00 0.00 175.30 174.73 3f59 s VAL 936 N 0.81 2.70 -0.18 7.11 1.01 -0.55 -0.22 120.40 131.08 3f59 s VAL 936 Ca -0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3f59 s VAL 936 Cb -0.10 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.12 3f59 s VAL 936 CO -0.02 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 3f59 s VAL 937 N 1.22 2.46 -0.45 2.92 1.01 0.62 -1.69 120.40 126.49 3f59 s VAL 937 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3f59 s VAL 937 Cb -0.14 -2.05 0.12 0.00 0.00 0.00 0.00 36.38 34.31 3f59 s VAL 937 CO -0.06 0.51 0.20 -0.63 0.00 0.00 0.00 175.10 175.12 3f59 s ILE 938 N 1.20 2.77 0.81 2.22 -1.09 0.39 -1.36 121.20 126.13 3f59 s ILE 938 Ca 0.02 -2.69 -0.12 0.00 -2.23 0.00 0.00 60.65 55.63 3f59 s ILE 938 Cb -0.14 -2.93 0.08 0.00 -1.58 0.00 0.00 42.46 37.89 3f59 s ILE 938 CO -0.07 -0.72 1.14 -2.84 -1.23 0.00 0.00 174.94 171.22 3f59 s PRO 939 N 0.43 1.82 0.30 2.79 0.02 -1.26 -0.57 135.00 138.53 3f59 s PRO 939 Ca 0.13 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.33 3f59 s PRO 939 Cb -0.22 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.34 3f59 s PRO 939 CO -0.04 -2.02 1.11 -2.30 -0.33 0.00 0.00 177.00 173.42 3f59 n PRO 940 N -3.52 1.58 -1.61 5.54 -0.02 -1.26 -2.74 135.00 132.98 3f59 n PRO 940 Ca 0.11 0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 61.99 3f59 n PRO 940 Cb 0.52 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.77 -1.11 0.06 -0.52 1.74 0.26 -4.80 116.66 113.06 3f59 n ARG 941 Ca 0.09 0.99 0.05 0.00 -0.77 0.00 0.00 57.85 58.21 3f59 n ARG 941 Cb 0.33 -5.19 -0.05 0.00 -1.02 0.00 0.00 32.46 26.52 3f59 n ARG 941 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3f59 n THR 942 N -2.82 0.88 -3.74 0.55 -2.24 -1.11 -4.59 114.28 101.22 3f59 n THR 942 Ca -0.16 -0.62 -0.37 0.00 -2.27 0.00 0.00 64.05 60.63 3f59 n THR 942 Cb 0.54 -0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 3f59 n THR 942 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f59 h ALA 944 N 8.25 0.40 -2.05 0.00 0.00 -1.93 -3.08 119.26 120.87 3f59 h ALA 944 Ca -0.38 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 3f59 h ALA 944 Cb 1.17 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 3f59 h ALA 944 CO 0.58 0.09 -0.70 0.00 0.00 0.00 0.00 179.25 179.22 3f59 s ALA 945 N -5.19 2.70 0.06 0.00 0.00 -1.26 -4.66 121.76 113.41 3f59 s ALA 945 Ca -0.13 -1.97 -0.34 0.00 0.00 0.00 0.00 51.96 49.51 3f59 s ALA 945 Cb 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 23.12 23.04 3f59 s ALA 945 CO 0.75 0.08 1.71 -2.30 0.00 0.00 0.00 175.76 176.00 3f59 n PRO 946 N -0.68 2.20 -4.32 0.00 -0.02 -1.26 -4.66 135.00 126.25 3f59 n PRO 946 Ca -0.05 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 3f59 n PRO 946 Cb 0.63 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.26 0.68 -0.45 3.45 2.01 0.80 -4.97 115.64 119.42 3f59 s THR 947 Ca 0.84 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 3f59 s THR 947 Cb -0.67 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.26 3f59 s THR 947 CO 0.43 0.21 0.80 -0.60 -0.69 0.00 0.00 174.62 174.78 3f59 s ARG 948 N 0.15 3.43 -0.11 4.92 3.52 -1.26 -1.08 118.95 128.51 3f59 s ARG 948 Ca -0.02 -0.06 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 3f59 s ARG 948 Cb -0.07 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 3f59 s ARG 948 CO 0.00 -1.13 0.48 0.42 -0.81 0.00 0.00 175.30 174.26 3f59 s ILE 949 N 3.34 5.17 0.06 4.11 -1.09 0.33 -3.66 121.20 129.46 3f59 s ILE 949 Ca 0.31 0.96 0.02 0.00 -2.23 0.00 0.00 60.65 59.71 3f59 s ILE 949 Cb -0.12 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 3f59 s ILE 949 CO 0.23 0.34 -0.07 0.42 -1.23 0.00 0.00 174.94 174.63 3f59 s THR 950 N 0.52 0.57 -0.02 2.92 -4.23 -0.58 -1.12 115.64 113.70 3f59 s THR 950 Ca 0.26 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 3f59 s THR 950 Cb -0.15 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.72 3f59 s THR 950 CO 0.11 -0.56 -0.03 0.00 -0.54 0.00 0.00 174.62 173.59 3f59 s ARG 952 N 0.40 1.10 0.03 0.00 3.52 -0.93 0.85 118.95 123.92 3f59 s ARG 952 Ca -0.04 -0.47 -0.26 0.00 -0.13 0.00 0.00 55.73 54.83 3f59 s ARG 952 Cb -0.07 -1.06 -0.05 0.00 -1.56 0.00 0.00 34.95 32.21 3f59 s ARG 952 CO -0.01 0.28 0.81 -0.51 -0.81 0.00 0.00 175.30 175.06 3f59 s LEU 953 N -0.27 4.43 -0.13 -0.88 1.43 -1.26 -0.76 118.68 121.23 3f59 s LEU 953 Ca 0.04 1.48 -0.02 0.00 -1.03 0.00 0.00 54.13 54.60 3f59 s LEU 953 Cb -0.06 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 3f59 s LEU 953 CO -0.00 -0.05 -0.05 -0.69 0.23 0.00 0.00 176.35 175.79 3f59 s VAL 954 N 0.20 3.79 -0.13 -1.59 1.01 -0.18 -4.93 120.40 118.58 3f59 s VAL 954 Ca 0.41 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 3f59 s VAL 954 Cb -0.21 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3f59 s VAL 954 CO 0.24 0.53 0.89 -0.54 0.00 0.00 0.00 175.10 176.22 3f59 s LYS 955 N 0.03 4.36 0.54 2.72 1.02 -1.26 -4.21 119.74 122.94 3f59 s LYS 955 Ca -0.00 1.16 0.32 0.00 0.02 0.00 0.00 55.97 57.47 3f59 s LYS 955 Cb -0.13 -3.55 1.49 0.00 -0.52 0.00 0.00 37.83 35.11 3f59 s LYS 955 CO 0.03 -0.29 1.88 -1.35 -0.92 0.00 0.00 175.35 174.70 3f59 h PRO 956 N 7.18 0.00 0.00 -1.68 0.11 -1.97 0.51 132.00 136.15 3f59 h PRO 956 Ca -0.31 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 3f59 h PRO 956 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3f59 h PRO 956 CO 0.84 0.00 -0.41 -0.56 -0.21 0.00 0.00 178.00 177.66 3f59 h GLN 957 N 0.00 0.00 0.00 1.05 3.07 -2.04 -2.81 115.11 114.38 3f59 h GLN 957 Ca 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.12 3f59 h GLN 957 Cb 1.74 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.30 3f59 h GLN 957 CO -0.00 0.41 -0.22 0.87 0.09 0.00 0.00 178.83 179.97 3f59 h LYS 958 N 0.00 0.00 -6.52 0.06 1.57 -1.29 -3.45 116.57 106.94 3f59 h LYS 958 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3f59 h LYS 958 Cb 0.77 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.10 3f59 h LYS 958 CO 0.05 0.22 0.80 -0.51 -0.57 0.00 0.00 179.45 179.44 3f59 s LEU 959 N -7.07 4.36 0.13 2.94 1.43 -1.06 -4.92 118.68 114.49 3f59 s LEU 959 Ca -0.01 2.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.29 3f59 s LEU 959 Cb 0.12 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 3f59 s LEU 959 CO 0.63 -0.72 1.71 0.77 0.23 0.00 0.00 176.35 178.97 3f59 h SER 960 N 7.10 0.49 -3.06 2.29 4.64 -1.89 -3.40 113.55 119.72 3f59 h SER 960 Ca -0.42 -0.12 -0.57 0.00 -0.47 0.00 0.00 61.79 60.21 3f59 h SER 960 Cb 1.20 -0.13 -0.40 0.00 -0.31 0.00 0.00 62.40 62.77 3f59 h SER 960 CO 0.89 0.48 -0.76 0.42 -0.87 0.00 0.00 176.83 176.98 3f59 s THR 961 N -5.72 0.63 0.72 2.95 -4.23 -1.26 -5.14 115.64 103.60 3f59 s THR 961 Ca -0.13 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.02 3f59 s THR 961 Cb 0.10 -1.49 0.03 0.00 1.34 0.00 0.00 72.50 72.48 3f59 s THR 961 CO 0.74 -0.69 1.11 -2.16 -0.54 0.00 0.00 174.62 173.07 3f59 s PRO 962 N 1.73 2.68 -0.11 3.99 0.04 -1.26 -4.75 135.00 137.31 3f59 s PRO 962 Ca 0.10 0.38 -0.38 0.00 0.04 0.00 0.00 61.00 61.13 3f59 s PRO 962 Cb -0.17 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.20 3f59 s PRO 962 CO -0.28 -1.13 1.59 -2.30 0.04 0.00 0.00 177.00 174.92 3f59 n PRO 963 N -3.05 1.24 -2.27 0.56 -0.02 -1.26 -4.87 135.00 125.33 3f59 n PRO 963 Ca 0.07 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 3f59 n PRO 963 Cb 0.58 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3f59 n PRO 963 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3f59 s PRO 964 N 2.32 4.47 -0.04 0.52 0.04 -1.26 -5.02 135.00 136.03 3f59 s PRO 964 Ca 0.92 2.04 0.05 0.00 0.04 0.00 0.00 61.00 64.05 3f59 s PRO 964 Cb -0.99 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 3f59 s PRO 964 CO 0.57 -0.02 -0.19 -0.51 0.04 0.00 0.00 177.00 176.89 3f59 s LEU 965 N -1.66 1.97 0.48 -3.56 1.43 -1.26 -5.08 118.68 111.00 3f59 s LEU 965 Ca 0.47 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3f59 s LEU 965 Cb -0.36 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 44.82 3f59 s LEU 965 CO 0.48 0.19 0.70 0.00 0.23 0.00 0.00 176.35 177.95 3f59 s ALA 966 N -0.10 3.79 0.23 4.21 0.00 -1.26 -4.97 121.76 123.66 3f59 s ALA 966 Ca -0.01 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 3f59 s ALA 966 Cb -0.11 -2.13 0.28 0.00 0.00 0.00 0.00 23.12 21.17 3f59 s ALA 966 CO 0.02 -0.48 1.58 1.05 0.00 0.00 0.00 175.76 177.93 3f59 h GLU 967 N 0.30 -0.04 -1.93 0.00 4.11 -2.02 0.61 114.58 115.62 3f59 h GLU 967 Ca -0.45 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.26 3f59 h GLU 967 Cb 1.26 0.01 -0.31 0.00 0.50 0.00 0.00 28.75 30.21 3f59 h GLU 967 CO 0.56 -0.02 0.55 0.39 0.07 0.00 0.00 179.01 180.55 3f59 n GLU 968 N -5.50 3.25 -4.34 1.06 -0.58 -1.26 -4.94 120.64 108.34 3f59 n GLU 968 Ca 0.10 -3.96 -0.23 0.00 -0.42 0.00 0.00 57.16 52.65 3f59 n GLU 968 Cb 0.40 -2.29 -0.12 0.00 -0.57 0.00 0.00 31.44 28.87 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 -3.95 1.27 0.03 3.49 2.02 0.21 -4.68 118.70 117.09 3f59 s GLU 969 Ca 0.49 -1.35 -0.23 0.00 0.02 0.00 0.00 54.97 53.90 3f59 s GLU 969 Cb 0.39 -1.45 0.05 0.00 0.10 0.00 0.00 34.13 33.23 3f59 s GLU 969 CO -0.32 0.31 0.53 0.20 0.02 0.00 0.00 175.26 176.00 3f59 s GLY 970 N -2.43 -0.43 0.18 -1.39 0.00 -0.35 -4.79 107.32 98.11 3f59 s GLY 970 Ca 0.14 0.66 -0.32 0.00 0.00 0.00 0.00 44.72 45.20 3f59 s GLY 970 CO 0.06 0.36 1.69 1.08 0.00 0.00 0.00 173.10 176.29 3f59 s LEU 971 N -1.86 4.37 -0.00 0.66 1.43 -1.26 0.65 118.68 122.67 3f59 s LEU 971 Ca -0.06 2.78 0.12 0.00 -1.03 0.00 0.00 54.13 55.93 3f59 s LEU 971 Cb -0.01 -3.59 0.33 0.00 0.03 0.00 0.00 46.19 42.95 3f59 s LEU 971 CO -0.00 -0.94 1.28 0.00 0.23 0.00 0.00 176.35 176.92 3f59 n ALA 972 N 4.20 2.21 -3.72 4.21 0.00 0.12 -4.78 120.51 122.74 3f59 n ALA 972 Ca 0.16 -1.18 -0.08 0.00 0.00 0.00 0.00 53.44 52.34 3f59 n ALA 972 Cb 0.36 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.02 -0.33 0.74 0.00 1.04 -1.19 0.41 113.70 113.35 3f59 s SER 973 Ca 0.25 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 3f59 s SER 973 Cb 0.13 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.99 3f59 s SER 973 CO 0.17 -1.24 1.15 -0.13 0.98 0.00 0.00 173.24 174.17 3f59 s ARG 974 N -3.88 2.22 -0.06 4.02 1.81 -1.26 -4.68 118.95 117.12 3f59 s ARG 974 Ca 0.09 1.54 -0.25 0.00 -1.72 0.00 0.00 55.73 55.39 3f59 s ARG 974 Cb -0.05 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.56 3f59 s ARG 974 CO 0.02 -1.73 0.76 0.42 -0.68 0.00 0.00 175.30 174.09 3f59 s ILE 975 N -2.30 5.00 -0.00 1.52 1.01 -1.26 -4.58 121.20 120.59 3f59 s ILE 975 Ca 0.69 1.57 0.07 0.00 0.00 0.00 0.00 60.65 62.98 3f59 s ILE 975 Cb -0.24 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3f59 s ILE 975 CO 0.47 0.22 -0.22 0.27 0.00 0.00 0.00 174.94 175.68 3f59 s ILE 976 N 0.95 2.44 -0.43 2.92 -4.36 -0.51 -1.01 121.20 121.20 3f59 s ILE 976 Ca 0.40 -1.09 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 3f59 s ILE 976 Cb -0.18 -1.93 0.11 0.00 1.25 0.00 0.00 42.46 41.71 3f59 s ILE 976 CO 0.19 0.49 0.24 0.00 0.24 0.00 0.00 174.94 176.10 3f59 s ALA 977 N -0.74 3.21 0.21 2.27 0.00 0.06 -1.62 121.76 125.15 3f59 s ALA 977 Ca 0.12 -2.56 -0.30 0.00 0.00 0.00 0.00 51.96 49.21 3f59 s ALA 977 Cb -0.10 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.44 3f59 s ALA 977 CO 0.01 -1.83 0.97 -0.51 0.00 0.00 0.00 175.76 174.40 3f59 s LEU 978 N 1.14 4.59 0.17 0.00 1.43 -1.25 -2.18 118.68 122.57 3f59 s LEU 978 Ca 0.08 1.96 0.10 0.00 -1.03 0.00 0.00 54.13 55.25 3f59 s LEU 978 Cb -0.23 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3f59 s LEU 978 CO -0.04 0.05 -0.23 -0.83 0.23 0.00 0.00 176.35 175.53 3f59 s GLY 979 N -0.81 1.57 0.22 -3.19 0.00 0.13 -3.95 107.32 101.29 3f59 s GLY 979 Ca 0.43 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.32 3f59 s GLY 979 CO 0.33 -1.56 1.12 -4.14 0.00 0.00 0.00 173.10 168.84 3f59 s PRO 980 N -2.52 4.59 0.28 2.90 0.02 -1.24 -1.53 135.00 137.49 3f59 s PRO 980 Ca 0.17 1.78 -0.30 0.00 0.02 0.00 0.00 61.00 62.67 3f59 s PRO 980 Cb -0.08 -3.24 -0.11 0.00 0.02 0.00 0.00 34.50 31.09 3f59 s PRO 980 CO 0.08 0.09 1.57 0.99 -0.33 0.00 0.00 177.00 179.40 3f59 s THR 981 N -0.54 2.20 -0.17 0.99 2.01 -1.25 -1.04 115.64 117.84 3f59 s THR 981 Ca 0.48 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.65 3f59 s THR 981 Cb -0.31 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3f59 s THR 981 CO 0.37 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3f59 n GLY 982 N 2.29 0.51 3.66 4.40 0.00 0.75 -4.99 105.19 111.81 3f59 n GLY 982 Ca 0.08 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 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 1.03 0.93 -3.71 4.61 0.00 -0.21 -4.70 120.51 118.46 3f59 n ALA 983 Ca -0.02 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 3f59 n ALA 983 Cb 0.13 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.19 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 -0.59 3.19 0.16 0.00 -1.52 -1.26 -1.59 119.66 118.05 3f59 s GLN 984 Ca 0.67 -0.73 0.03 0.00 -1.95 0.00 0.00 55.36 53.38 3f59 s GLN 984 Cb -0.66 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 3f59 s GLN 984 CO 0.51 -0.14 0.25 -0.06 -0.25 0.00 0.00 175.29 175.61 3f59 s PHE 985 N 1.21 3.40 -0.30 0.91 0.08 0.41 -4.98 117.98 118.71 3f59 s PHE 985 Ca 0.02 0.08 0.24 0.00 0.12 0.00 0.00 56.93 57.39 3f59 s PHE 985 Cb -0.14 -1.62 0.48 0.00 -0.57 0.00 0.00 43.02 41.17 3f59 s PHE 985 CO -0.06 0.51 1.65 -0.07 -0.10 0.00 0.00 175.22 177.16 3f59 h LEU 986 N 2.14 0.00 -8.11 -0.37 3.38 -1.24 -3.46 115.31 107.65 3f59 h LEU 986 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 3f59 h LEU 986 Cb 1.20 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 3f59 h LEU 986 CO 0.67 0.07 -0.18 -0.55 0.09 0.00 0.00 178.44 178.54 3f59 s SER 987 N -6.16 -0.07 0.52 -0.43 0.15 -1.26 -5.00 113.70 101.45 3f59 s SER 987 Ca 0.06 -0.85 -0.21 0.00 0.70 0.00 0.00 55.95 55.64 3f59 s SER 987 Cb 0.06 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 3f59 s SER 987 CO 0.66 -1.03 1.22 -2.84 1.20 0.00 0.00 173.24 172.45 3f59 s PRO 988 N -3.98 3.37 0.47 5.44 0.02 -1.26 -4.78 135.00 134.28 3f59 s PRO 988 Ca 0.19 1.90 0.05 0.00 0.02 0.00 0.00 61.00 63.16 3f59 s PRO 988 Cb 0.01 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.28 3f59 s PRO 988 CO 0.04 -0.90 0.15 0.14 -0.33 0.00 0.00 177.00 176.10 3f59 s VAL 989 N -1.51 1.74 -0.06 3.83 -7.23 0.56 -4.66 120.40 113.07 3f59 s VAL 989 Ca 0.70 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 3f59 s VAL 989 Cb -0.32 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.10 3f59 s VAL 989 CO 0.37 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.44 3f59 s ILE 990 N -2.74 0.88 -0.10 -0.62 1.01 -0.46 -1.73 121.20 117.43 3f59 s ILE 990 Ca 0.27 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3f59 s ILE 990 Cb 0.03 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.68 3f59 s ILE 990 CO 0.15 0.30 -0.14 -0.69 0.00 0.00 0.00 174.94 174.56 3f59 s VAL 991 N 0.75 1.39 -0.21 2.92 1.01 0.27 -0.27 120.40 126.25 3f59 s VAL 991 Ca -0.13 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3f59 s VAL 991 Cb -0.15 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3f59 s VAL 991 CO 0.02 0.42 -0.03 -1.61 0.00 0.00 0.00 175.10 173.90 3f59 s GLU 992 N 1.06 3.48 -0.07 2.72 2.02 0.70 0.41 118.70 129.02 3f59 s GLU 992 Ca -0.06 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.40 3f59 s GLU 992 Cb -0.15 -3.02 -0.00 0.00 0.10 0.00 0.00 34.13 31.06 3f59 s GLU 992 CO -0.02 -0.09 -0.21 -1.50 0.02 0.00 0.00 175.26 173.46 3f59 s ILE 993 N 1.22 1.80 0.44 -1.63 2.07 0.23 -1.23 121.20 124.10 3f59 s ILE 993 Ca 0.03 -0.91 -0.24 0.00 -1.41 0.00 0.00 60.65 58.13 3f59 s ILE 993 Cb -0.14 -1.55 -0.08 0.00 0.13 0.00 0.00 42.46 40.82 3f59 s ILE 993 CO -0.00 0.51 1.15 -2.16 -1.91 0.00 0.00 174.94 172.52 3f59 s PRO 994 N 0.10 3.88 0.08 3.50 0.04 -1.26 -0.45 135.00 140.89 3f59 s PRO 994 Ca -0.09 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.76 3f59 s PRO 994 Cb -0.14 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3f59 s PRO 994 CO 0.05 -0.44 -0.05 -3.38 0.04 0.00 0.00 177.00 173.22 3f59 s HIS 995 N -1.53 2.88 0.64 0.56 -3.43 0.32 -4.58 115.29 110.15 3f59 s HIS 995 Ca 0.61 -0.08 -0.17 0.00 -0.80 0.00 0.00 55.06 54.63 3f59 s HIS 995 Cb -0.28 -1.51 -0.01 0.00 -1.43 0.00 0.00 32.58 29.35 3f59 s HIS 995 CO 0.35 0.44 1.17 -0.06 -2.00 0.00 0.00 174.74 174.64 3f59 s PHE 996 N -1.22 2.38 0.72 0.38 0.08 0.17 -4.79 117.98 115.70 3f59 s PHE 996 Ca 0.23 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.68 3f59 s PHE 996 Cb -0.11 -3.38 0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3f59 s PHE 996 CO 0.15 -2.12 1.17 0.00 -0.10 0.00 0.00 175.22 174.32 3f59 s ALA 997 N -1.91 2.20 -0.19 5.36 0.00 -1.26 -4.96 121.76 121.00 3f59 s ALA 997 Ca 0.73 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 3f59 s ALA 997 Cb -0.27 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 3f59 s ALA 997 CO 0.38 -1.73 0.16 0.45 0.00 0.00 0.00 175.76 175.02 3f59 s SER 998 N -2.26 6.26 -0.30 0.00 0.15 -1.26 -5.07 113.70 111.23 3f59 s SER 998 Ca 0.71 0.30 0.01 0.00 0.70 0.00 0.00 55.95 57.67 3f59 s SER 998 Cb -0.26 -2.11 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 3f59 s SER 998 CO 0.45 0.18 -0.02 -1.00 1.20 0.00 0.00 173.24 174.05 3f59 s HIS 999 N 0.28 3.36 -0.67 3.44 3.76 -1.26 -5.26 115.29 118.94 3f59 s HIS 999 Ca 0.10 -2.25 -0.00 0.00 -0.15 0.00 0.00 55.06 52.76 3f59 s HIS 999 Cb -0.11 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.34 3f59 s HIS 999 CO -0.00 -0.87 0.56 0.41 -0.85 0.00 0.00 174.74 173.99 3f59 n GLY 1000N 4.49 -0.02 0.00 -2.22 0.00 -1.26 -5.26 105.19 100.92 3f59 n GLY 1000Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3f59 n GLY 1000CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f59 n ARG 1004N -2.76 0.00 -4.88 1.61 1.74 -1.26 -5.25 116.66 105.86 3f59 n ARG 1004Ca -0.16 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.59 3f59 n ARG 1004Cb 0.60 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.89 3f59 n ARG 1004CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3f59 s GLU 1005N -1.12 2.99 -0.20 5.56 2.12 -1.26 -4.98 118.70 121.81 3f59 s GLU 1005Ca 0.00 -0.72 -0.18 0.00 0.36 0.00 0.00 54.97 54.44 3f59 s GLU 1005Cb 0.00 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 3f59 s GLU 1005CO 0.00 0.37 0.49 -0.51 -0.54 0.00 0.00 175.26 175.07 3f59 s LEU 1006N -0.08 4.15 -0.06 2.70 1.43 -1.26 -2.09 118.68 123.47 3f59 s LEU 1006Ca -0.03 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 3f59 s LEU 1006Cb -0.14 -2.66 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 3f59 s LEU 1006CO 0.04 -0.16 -0.18 -0.69 0.23 0.00 0.00 176.35 175.59 3f59 s VAL 1007N 1.56 1.56 -0.12 -1.59 1.01 0.54 -4.95 120.40 118.41 3f59 s VAL 1007Ca 0.23 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 3f59 s VAL 1007Cb -0.15 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3f59 s VAL 1007CO 0.09 0.45 0.72 -0.69 0.00 0.00 0.00 175.10 175.67 3f59 s VAL 1008N 0.20 4.99 0.02 2.92 1.01 -1.26 0.35 120.40 128.63 3f59 s VAL 1008Ca -0.09 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.38 3f59 s VAL 1008Cb -0.14 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3f59 s VAL 1008CO 0.04 0.16 -0.10 -0.76 0.00 0.00 0.00 175.10 174.43 3f59 s LEU 1009N 1.41 2.99 0.14 3.92 1.43 0.43 0.00 118.68 129.00 3f59 s LEU 1009Ca 0.36 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3f59 s LEU 1009Cb -0.17 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3f59 s LEU 1009CO 0.15 0.26 -0.17 0.00 0.23 0.00 0.00 176.35 176.82 3f59 s ARG 1010N -1.49 1.16 -0.09 1.70 1.70 -0.04 -1.50 118.95 120.39 3f59 s ARG 1010Ca 0.17 -1.31 -0.02 0.00 -0.47 0.00 0.00 55.73 54.10 3f59 s ARG 1010Cb -0.11 -1.18 0.03 0.00 -0.57 0.00 0.00 34.95 33.12 3f59 s ARG 1010CO 0.07 0.24 0.01 0.45 -1.08 0.00 0.00 175.30 175.00 3f59 s SER 1011N -2.47 1.72 0.19 -2.89 0.15 -0.29 -0.82 113.70 109.28 3f59 s SER 1011Ca 0.12 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 3f59 s SER 1011Cb -0.06 -0.42 0.09 0.00 -1.71 0.00 0.00 66.02 63.92 3f59 s SER 1011CO 0.05 -0.22 1.68 -0.33 1.20 0.00 0.00 173.24 175.62 3f59 h GLU 1012N 8.33 1.11 0.00 5.44 4.39 -1.86 -2.27 114.58 129.72 3f59 h GLU 1012Ca -0.18 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3f59 h GLU 1012Cb 1.12 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3f59 h GLU 1012CO 0.26 1.02 -0.11 0.27 -1.16 0.00 0.00 179.01 179.29 3f59 n ASN 1013N -4.21 0.63 0.00 1.42 6.94 -1.26 -2.90 115.26 115.87 3f59 n ASN 1013Ca 0.04 -1.63 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 3f59 n ASN 1013Cb 0.30 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3f59 n ASN 1013CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3f59 n GLY 1014N -0.24 2.86 0.13 4.83 0.00 -1.26 -4.89 105.19 106.62 3f59 n GLY 1014Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3f59 n GLY 1014CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f59 h SER 1015N 0.00 0.38 -4.26 1.61 4.64 -1.93 -3.38 113.55 110.61 3f59 h SER 1015Ca 0.00 -0.85 -0.65 0.00 -0.47 0.00 0.00 61.79 59.82 3f59 h SER 1015Cb 0.00 -0.12 -0.31 0.00 -0.31 0.00 0.00 62.40 61.66 3f59 h SER 1015CO 0.00 1.63 -0.87 -0.69 -0.87 0.00 0.00 176.83 176.03 3f59 s VAL 1016N -2.48 1.84 -0.15 0.95 1.01 -1.26 -4.93 120.40 115.37 3f59 s VAL 1016Ca -0.20 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 3f59 s VAL 1016Cb 0.04 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3f59 s VAL 1016CO 0.77 0.52 -0.11 0.26 0.00 0.00 0.00 175.10 176.53 3f59 s TRP 1017N -0.33 2.85 0.05 5.22 0.52 -1.26 -4.12 118.94 121.86 3f59 s TRP 1017Ca 0.03 -0.77 0.02 0.00 0.02 0.00 0.00 56.10 55.40 3f59 s TRP 1017Cb -0.11 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 3f59 s TRP 1017CO 0.01 -0.32 -0.07 0.15 0.02 0.00 0.00 176.95 176.74 3f59 s LYS 1018N 0.67 0.55 0.32 4.98 1.02 -0.00 -4.94 119.74 122.33 3f59 s LYS 1018Ca -0.06 -0.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.78 3f59 s LYS 1018Cb -0.15 -0.18 -0.11 0.00 -0.52 0.00 0.00 37.83 36.87 3f59 s LYS 1018CO 0.02 0.01 1.49 -2.00 -0.92 0.00 0.00 175.35 173.96 3f59 s GLU 1019N -2.08 4.18 -0.23 1.68 2.12 -1.26 -0.86 118.70 122.25 3f59 s GLU 1019Ca -0.06 2.47 -0.08 0.00 0.36 0.00 0.00 54.97 57.66 3f59 s GLU 1019Cb -0.06 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 3f59 s GLU 1019CO -0.01 -0.50 0.09 -1.58 -0.54 0.00 0.00 175.26 172.72 3f59 s HIS 1020N -0.51 3.17 0.43 5.30 5.65 0.10 -4.80 115.29 124.62 3f59 s HIS 1020Ca 0.57 -0.13 0.06 0.00 0.25 0.00 0.00 55.06 55.80 3f59 s HIS 1020Cb -0.45 -2.21 -0.06 0.00 -1.18 0.00 0.00 32.58 28.68 3f59 s HIS 1020CO 0.53 -0.13 0.01 1.03 -0.65 0.00 0.00 174.74 175.53 3f59 s ARG 1021N 1.18 2.00 0.00 2.88 0.52 -1.26 -4.56 118.95 119.71 3f59 s ARG 1021Ca 0.05 -2.17 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 3f59 s ARG 1021Cb -0.14 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 33.74 3f59 s ARG 1021CO 0.04 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.64 3f59 n GLY 1025N -1.03 0.31 0.12 -3.53 0.00 -1.26 -4.90 105.19 94.91 3f59 n GLY 1025Ca -0.08 0.44 0.09 0.00 0.00 0.00 0.00 46.02 46.47 3f59 n GLY 1025CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f59 n GLU 1026N 0.00 0.11 0.17 1.61 -0.58 -1.26 -2.02 120.64 118.67 3f59 n GLU 1026Ca 0.00 0.58 0.13 0.00 -0.42 0.00 0.00 57.16 57.46 3f59 n GLU 1026Cb 0.00 -1.85 0.42 0.00 -0.57 0.00 0.00 31.44 29.44 3f59 n GLU 1026CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3f59 h SER 1027N 0.00 0.00 -0.01 1.62 0.02 -2.07 -3.34 113.55 109.77 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 0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3f59 h SER 1027CO 0.00 0.00 -0.36 -1.22 -1.14 0.00 0.00 176.83 174.11 3f59 n TYR 1028N -2.63 0.03 0.10 3.45 4.01 -0.86 -4.86 117.16 116.40 3f59 n TYR 1028Ca 0.03 -1.37 -0.13 0.00 -0.16 0.00 0.00 57.90 56.27 3f59 n TYR 1028Cb 0.39 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 3f59 n TYR 1028CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3f59 h LEU 1029N 0.76 -0.27 -1.27 7.72 3.38 -1.73 -1.34 115.31 122.55 3f59 h LEU 1029Ca 0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3f59 h LEU 1029Cb 1.02 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3f59 h LEU 1029CO 0.01 -0.16 0.53 0.44 0.09 0.00 0.00 178.44 179.35 3f59 h ASP 1030N -0.23 0.77 -0.11 -0.43 5.19 -1.93 -0.99 116.42 118.69 3f59 h ASP 1030Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3f59 h ASP 1030Cb 0.22 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 3f59 h ASP 1030CO -0.03 0.50 -0.06 1.56 -3.12 0.00 0.00 179.24 178.09 3f59 h GLN 1031N 0.88 0.23 -0.98 3.56 7.50 -1.84 -2.96 115.11 121.50 3f59 h GLN 1031Ca 0.35 -0.11 0.12 0.00 0.50 0.00 0.00 58.65 59.52 3f59 h GLN 1031Cb 0.24 -0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.68 3f59 h GLN 1031CO -0.12 0.59 0.62 0.82 -1.50 0.00 0.00 178.83 179.24 3f59 h ILE 1032N -0.13 0.91 0.00 2.54 2.04 -0.62 -2.06 117.51 120.18 3f59 h ILE 1032Ca 0.02 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3f59 h ILE 1032Cb 0.53 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3f59 h ILE 1032CO 0.02 0.17 -0.01 -0.07 0.00 0.00 0.00 178.15 178.26 3f59 h LEU 1033N 0.95 0.00 -1.17 1.44 3.38 -1.03 -3.45 115.31 115.43 3f59 h LEU 1033Ca 0.49 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.97 3f59 h LEU 1033Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3f59 h LEU 1033CO -0.25 0.01 -0.79 0.59 0.09 0.00 0.00 178.44 178.08 3f59 n ASN 1034N -3.12 -3.71 -0.21 -0.43 3.02 -0.78 -1.61 115.26 108.42 3f59 n ASN 1034Ca -0.01 -0.85 -0.03 0.00 -0.03 0.00 0.00 54.58 53.66 3f59 n ASN 1034Cb 0.22 -3.60 -0.01 0.00 -0.61 0.00 0.00 39.78 35.78 3f59 n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f59 n GLY 1035N -1.64 0.60 3.76 7.41 0.00 -1.26 -4.63 105.19 109.42 3f59 n GLY 1035Ca -0.02 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3f59 n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3f59 s MET 1036N -1.73 3.12 -1.21 1.61 0.00 -0.63 -4.94 119.30 115.52 3f59 s MET 1036Ca 0.00 1.76 -0.05 0.00 0.00 0.00 0.00 55.69 57.40 3f59 s MET 1036Cb 0.00 -1.97 0.13 0.00 0.00 0.00 0.00 34.83 32.99 3f59 s MET 1036CO 0.00 -1.08 2.38 -3.47 0.00 0.00 0.00 175.02 172.86 3f59 n ASP 1037N -1.46 7.84 -4.34 1.11 -0.08 -1.26 -4.92 116.55 113.44 3f59 n ASP 1037Ca 0.13 -3.20 -0.24 0.00 -1.51 0.00 0.00 54.79 49.97 3f59 n ASP 1037Cb 0.50 -1.33 -0.12 0.00 2.34 0.00 0.00 41.12 42.51 3f59 n ASP 1037CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3f59 s GLU 1038N -1.48 1.28 -0.16 -0.67 0.41 -1.26 -5.14 118.70 111.67 3f59 s GLU 1038Ca 0.53 -1.34 -0.03 0.00 -0.41 0.00 0.00 54.97 53.72 3f59 s GLU 1038Cb 0.21 -1.49 -0.02 0.00 -1.78 0.00 0.00 34.13 31.05 3f59 s GLU 1038CO -0.11 0.33 -0.06 -1.21 -0.49 0.00 0.00 175.26 173.71 3f59 s GLU 1039N -2.42 3.55 -0.21 1.61 0.41 -1.26 -5.10 118.70 115.27 3f59 s GLU 1039Ca 0.13 -0.58 -0.06 0.00 -0.41 0.00 0.00 54.97 54.05 3f59 s GLU 1039Cb -0.08 -2.86 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 3f59 s GLU 1039CO 0.06 0.16 0.04 -0.51 -0.49 0.00 0.00 175.26 174.53 3f59 s LEU 1040N 0.55 3.48 0.79 1.80 1.43 -1.26 -5.11 118.68 120.36 3f59 s LEU 1040Ca -0.04 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3f59 s LEU 1040Cb -0.15 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.24 3f59 s LEU 1040CO 0.03 0.06 1.09 -0.83 0.23 0.00 0.00 176.35 176.93 3f59 s GLY 1041N 1.03 1.65 1.00 -3.19 0.00 -1.26 -5.04 107.32 101.51 3f59 s GLY 1041Ca 0.03 0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.66 3f59 s GLY 1041CO 0.03 0.42 1.09 -1.35 0.00 0.00 0.00 173.10 173.29 3f59 s SER 1042N -3.61 2.58 0.26 1.64 1.04 -1.26 -4.77 113.70 109.58 3f59 s SER 1042Ca 0.61 1.24 -0.04 0.00 0.48 0.00 0.00 55.95 58.23 3f59 s SER 1042Cb -0.16 -1.91 0.34 0.00 0.10 0.00 0.00 66.02 64.39 3f59 s SER 1042CO 0.56 -3.16 1.90 -0.07 0.98 0.00 0.00 173.24 173.44 3f59 h LEU 1043N -1.91 1.07 -0.49 2.42 3.38 -1.99 -0.43 115.31 117.36 3f59 h LEU 1043Ca -0.54 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.25 3f59 h LEU 1043Cb 1.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3f59 h LEU 1043CO 0.57 0.73 -0.69 -0.33 0.09 0.00 0.00 178.44 178.80 3f59 h GLU 1044N 1.24 0.32 -0.72 1.13 3.07 -1.99 -1.31 114.58 116.31 3f59 h GLU 1044Ca 0.40 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 3f59 h GLU 1044Cb 0.03 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3f59 h GLU 1044CO -0.13 0.89 0.23 0.93 -1.40 0.00 0.00 179.01 179.52 3f59 h GLU 1045N 0.22 1.12 -0.14 2.33 5.08 -1.79 -1.66 114.58 119.74 3f59 h GLU 1045Ca -0.02 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3f59 h GLU 1045Cb 1.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3f59 h GLU 1045CO 0.11 0.96 0.07 -0.07 -1.00 0.00 0.00 179.01 179.08 3f59 h LEU 1046N 1.06 0.19 -0.47 1.33 4.07 -0.89 -2.81 115.31 117.80 3f59 h LEU 1046Ca 0.23 -0.13 0.09 0.00 0.08 0.00 0.00 57.88 58.15 3f59 h LEU 1046Cb 0.30 -0.05 -0.10 0.00 1.08 0.00 0.00 40.66 41.90 3f59 h LEU 1046CO -0.01 0.27 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.00 3f59 h GLU 1047N 0.10 -0.18 -0.18 1.13 5.08 -1.12 -0.70 114.58 118.72 3f59 h GLU 1047Ca 0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3f59 h GLU 1047Cb 0.13 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3f59 h GLU 1047CO -0.01 -0.12 0.19 0.87 -1.00 0.00 0.00 179.01 178.95 3f59 h LYS 1048N -0.19 0.00 -0.02 2.33 1.57 -1.20 -1.31 116.57 117.76 3f59 h LYS 1048Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3f59 h LYS 1048Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3f59 h LYS 1048CO -0.57 0.00 -0.27 1.63 -0.57 0.00 0.00 179.45 179.67 3f59 n LYS 1049N -3.83 1.65 -3.53 3.15 5.02 -0.39 -4.98 118.16 115.25 3f59 n LYS 1049Ca 0.01 -1.35 -0.20 0.00 -2.02 0.00 0.00 58.31 54.75 3f59 n LYS 1049Cb 0.31 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.51 -3.99 -4.62 1.97 1.74 -0.49 -4.91 116.66 106.85 3f59 n ARG 1050Ca 0.11 0.70 -0.22 0.00 -0.77 0.00 0.00 57.85 57.67 3f59 n ARG 1050Cb 0.51 -5.31 -0.15 0.00 -1.02 0.00 0.00 32.46 26.49 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 -3.50 1.09 -0.08 1.55 1.01 -0.77 -0.53 120.40 119.17 3f59 s VAL 1051Ca 0.19 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3f59 s VAL 1051Cb -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3f59 s VAL 1051CO 0.78 0.31 -0.12 0.00 0.00 0.00 0.00 175.10 176.08 3f59 s ARG 1053N -0.39 3.90 -0.23 0.00 3.52 -1.26 -0.60 118.95 123.89 3f59 s ARG 1053Ca 0.05 -0.34 -0.09 0.00 -0.13 0.00 0.00 55.73 55.21 3f59 s ARG 1053Cb -0.12 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 3f59 s ARG 1053CO 0.02 -0.18 0.12 0.42 -0.81 0.00 0.00 175.30 174.87 3f59 s ILE 1054N 1.72 4.93 -0.21 4.11 1.01 0.16 -4.98 121.20 127.95 3f59 s ILE 1054Ca 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 3f59 s ILE 1054Cb -0.16 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 3f59 s ILE 1054CO 0.10 0.36 0.02 -0.63 0.00 0.00 0.00 174.94 174.78 3f59 s ILE 1055N 1.14 4.05 0.02 2.92 1.01 -1.26 -0.57 121.20 128.51 3f59 s ILE 1055Ca 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3f59 s ILE 1055Cb -0.14 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.49 3f59 s ILE 1055CO 0.04 0.41 0.20 0.28 0.00 0.00 0.00 174.94 175.87 3f59 s THR 1056N 1.15 0.09 -1.46 2.92 -1.32 -0.70 -4.98 115.64 111.34 3f59 s THR 1056Ca 0.03 -0.77 0.19 0.00 -1.21 0.00 0.00 61.69 59.93 3f59 s THR 1056Cb -0.14 -0.74 -0.07 0.00 -1.51 0.00 0.00 72.50 70.04 3f59 s THR 1056CO 0.02 -0.42 0.90 0.35 -2.21 0.00 0.00 174.62 173.26 3f59 n THR 1057N 0.98 0.00 -4.06 5.08 -2.24 -1.26 -0.33 114.28 112.45 3f59 n THR 1057Ca -0.20 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3f59 n THR 1057Cb 0.58 1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.35 0.28 -0.35 3.42 -4.77 -1.26 -0.45 116.67 111.19 3f59 s ASP 1058Ca 0.13 -1.02 -0.09 0.00 -3.30 0.00 0.00 52.55 48.26 3f59 s ASP 1058Cb 0.15 0.30 0.03 0.00 -1.09 0.00 0.00 42.92 42.31 3f59 s ASP 1058CO 0.57 -0.73 0.16 -0.36 0.70 0.00 0.00 175.17 175.51 3f59 s PHE 1059N -3.98 3.23 0.64 2.11 0.08 -0.62 -4.96 117.98 114.48 3f59 s PHE 1059Ca 0.16 -1.07 -0.09 0.00 0.12 0.00 0.00 56.93 56.04 3f59 s PHE 1059Cb 0.07 -2.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.14 3f59 s PHE 1059CO -0.03 -0.65 1.00 -1.25 -0.10 0.00 0.00 175.22 174.19 3f59 s PRO 1060N 1.51 3.11 0.17 0.24 0.04 -1.26 -0.18 135.00 138.63 3f59 s PRO 1060Ca 0.01 0.39 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 3f59 s PRO 1060Cb -0.19 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.30 3f59 s PRO 1060CO 0.05 -0.76 1.59 1.25 0.04 0.00 0.00 177.00 179.17 3f59 h LEU 1061N -0.38 -1.11 -8.29 -3.56 5.85 -1.36 -3.40 115.31 103.07 3f59 h LEU 1061Ca -0.45 0.20 -0.44 0.00 0.84 0.00 0.00 57.88 58.03 3f59 h LEU 1061Cb 1.23 0.53 -0.25 0.00 0.37 0.00 0.00 40.66 42.54 3f59 h LEU 1061CO 0.62 -0.31 -0.79 -0.31 -0.34 0.00 0.00 178.44 177.31 3f59 s TYR 1062N -6.00 1.19 0.08 1.25 2.02 -0.88 -3.96 117.35 111.06 3f59 s TYR 1062Ca -0.15 -0.34 0.09 0.00 -0.37 0.00 0.00 57.07 56.31 3f59 s TYR 1062Cb 0.14 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 3f59 s TYR 1062CO 0.68 0.02 -0.23 -0.06 -1.57 0.00 0.00 175.55 174.40 3f59 s PHE 1063N -0.78 2.41 -0.02 2.71 0.08 -0.64 -1.14 117.98 120.59 3f59 s PHE 1063Ca 0.02 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.51 3f59 s PHE 1063Cb -0.07 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.06 3f59 s PHE 1063CO 0.01 0.27 0.47 0.54 -0.10 0.00 0.00 175.22 176.41 3f59 s VAL 1064N -0.98 0.03 -0.10 -0.44 0.11 -0.56 -1.43 120.40 117.03 3f59 s VAL 1064Ca 0.14 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 58.75 3f59 s VAL 1064Cb -0.10 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 3f59 s VAL 1064CO 0.06 -0.15 0.44 -0.63 -3.33 0.00 0.00 175.10 171.48 3f59 s ILE 1065N -1.37 5.17 0.02 7.04 1.09 -1.26 -0.43 121.20 131.47 3f59 s ILE 1065Ca -0.12 0.88 0.05 0.00 -1.10 0.00 0.00 60.65 60.36 3f59 s ILE 1065Cb -0.03 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 3f59 s ILE 1065CO 0.06 0.38 -0.12 -0.04 -0.10 0.00 0.00 174.94 175.12 3f59 s MET 1066N 0.29 2.30 -0.21 2.79 -1.94 0.15 0.14 119.30 122.84 3f59 s MET 1066Ca 0.24 -0.86 -0.08 0.00 -1.71 0.00 0.00 55.69 53.28 3f59 s MET 1066Cb -0.15 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 3f59 s MET 1066CO 0.10 0.57 0.09 0.45 -0.01 0.00 0.00 175.02 176.21 3f59 s SER 1067N -1.45 5.66 0.00 3.03 0.15 0.21 -0.34 113.70 120.96 3f59 s SER 1067Ca 0.16 0.04 0.17 0.00 0.70 0.00 0.00 55.95 57.02 3f59 s SER 1067Cb -0.11 -1.99 0.13 0.00 -1.71 0.00 0.00 66.02 62.35 3f59 s SER 1067CO 0.07 0.11 1.03 0.54 1.20 0.00 0.00 173.24 176.19