#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f59 s ALA 910 N 0.00 3.67 -0.57 5.20 0.00 -1.26 -5.04 121.76 123.76 3f59 s ALA 910 Ca 0.00 -1.80 0.24 0.00 0.00 0.00 0.00 51.96 50.41 3f59 s ALA 910 Cb 0.00 -0.23 0.53 0.00 0.00 0.00 0.00 23.12 23.42 3f59 s ALA 910 CO 0.00 -0.16 1.65 1.79 0.00 0.00 0.00 175.76 179.04 3f59 h THR 911 N 1.42 0.00 0.00 0.00 1.35 -2.04 -3.47 112.91 110.17 3f59 h THR 911 Ca -0.43 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3f59 h THR 911 Cb 1.26 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3f59 h THR 911 CO 0.72 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3f59 n GLY 912 N 1.20 2.14 3.48 5.82 0.00 -1.26 -5.02 105.19 111.55 3f59 n GLY 912 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.41 2.47 0.11 1.61 0.08 -1.26 -4.62 117.98 113.96 3f59 s PHE 913 Ca 0.00 -0.29 -0.09 0.00 0.12 0.00 0.00 56.93 56.66 3f59 s PHE 913 Cb 0.00 -1.27 -0.12 0.00 -0.57 0.00 0.00 43.02 41.06 3f59 s PHE 913 CO 0.00 0.44 1.30 -0.07 -0.10 0.00 0.00 175.22 176.79 3f59 h LEU 914 N 3.42 0.77 -7.64 -0.37 3.38 0.06 -3.47 115.31 111.47 3f59 h LEU 914 Ca -0.48 -0.56 -0.12 0.00 0.09 0.00 0.00 57.88 56.81 3f59 h LEU 914 Cb 1.19 -0.23 -0.19 0.00 0.09 0.00 0.00 40.66 41.51 3f59 h LEU 914 CO 0.47 1.35 -0.36 0.68 0.09 0.00 0.00 178.44 180.67 3f59 s VAL 915 N -3.52 0.08 -0.30 1.22 -7.23 -1.18 -4.43 120.40 105.03 3f59 s VAL 915 Ca -0.08 -0.67 -0.04 0.00 -1.81 0.00 0.00 61.98 59.38 3f59 s VAL 915 Cb 0.09 -0.67 0.18 0.00 0.56 0.00 0.00 36.38 36.54 3f59 s VAL 915 CO 0.89 -0.37 0.70 -0.55 -0.31 0.00 0.00 175.10 175.46 3f59 s SER 916 N -1.62 -1.18 0.06 4.85 0.15 -1.25 -1.30 113.70 113.41 3f59 s SER 916 Ca -0.11 0.78 -0.17 0.00 0.70 0.00 0.00 55.95 57.15 3f59 s SER 916 Cb -0.04 2.01 0.03 0.00 -1.71 0.00 0.00 66.02 66.30 3f59 s SER 916 CO 0.01 -0.22 0.39 0.72 1.20 0.00 0.00 173.24 175.34 3f59 s PHE 917 N 2.88 -0.23 0.10 3.44 -0.12 -0.25 -5.00 117.98 118.80 3f59 s PHE 917 Ca 0.15 0.13 -0.14 0.00 -0.05 0.00 0.00 56.93 57.02 3f59 s PHE 917 Cb -0.14 0.21 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 3f59 s PHE 917 CO -0.19 -0.58 0.49 -1.64 -0.05 0.00 0.00 175.22 173.25 3f59 s MET 918 N -2.72 3.93 0.05 1.99 -1.94 -1.26 -0.13 119.30 119.22 3f59 s MET 918 Ca -0.04 0.42 -0.04 0.00 -1.71 0.00 0.00 55.69 54.33 3f59 s MET 918 Cb -0.00 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 3f59 s MET 918 CO -0.04 0.54 0.05 0.54 -0.01 0.00 0.00 175.02 176.10 3f59 s VAL 919 N -1.37 0.18 0.00 -6.03 0.11 -0.52 -4.95 120.40 107.82 3f59 s VAL 919 Ca 0.34 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 3f59 s VAL 919 Cb -0.15 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 3f59 s VAL 919 CO 0.18 -0.80 0.00 -0.90 -3.33 0.00 0.00 175.10 170.25 3f59 n ASP 920 N 0.32 0.00 0.25 3.54 5.68 -1.26 -1.06 116.55 124.02 3f59 n ASP 920 Ca -0.16 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.31 3f59 n ASP 920 Cb 0.60 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.44 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 1.27 1.60 0.00 2.12 0.00 -1.86 0.16 119.26 122.55 3f59 h ALA 921 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3f59 h ALA 921 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f59 h ALA 921 CO 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 179.25 178.83 3f59 h ARG 922 N 0.00 0.00 -0.22 0.00 3.08 -1.91 0.48 114.38 115.82 3f59 h ARG 922 Ca 0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3f59 h ARG 922 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3f59 h ARG 922 CO -0.00 0.06 -0.05 0.41 -1.07 0.00 0.00 179.97 179.32 3f59 n GLY 923 N 0.39 -1.82 0.00 0.04 0.00 0.54 -4.10 105.19 100.24 3f59 n GLY 923 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.28 -0.67 3.46 -0.02 0.00 -0.37 -4.69 105.19 100.61 3f59 n GLY 924 Ca -0.00 -1.03 -0.12 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 -0.54 -0.07 1.61 1.04 -1.26 -1.16 113.70 113.31 3f59 s SER 925 Ca 0.00 0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 3f59 s SER 925 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 3f59 s SER 925 CO 0.00 -0.83 0.25 -0.32 0.98 0.00 0.00 173.24 173.33 3f59 s MET 926 N -3.13 0.39 0.09 4.02 1.75 -0.89 -5.03 119.30 116.51 3f59 s MET 926 Ca -0.00 0.18 0.00 0.00 -1.25 0.00 0.00 55.69 54.62 3f59 s MET 926 Cb -0.01 0.18 -0.04 0.00 2.84 0.00 0.00 34.83 37.80 3f59 s MET 926 CO -0.08 -0.07 0.25 1.03 -0.65 0.00 0.00 175.02 175.50 3f59 s ARG 927 N -0.29 3.46 0.83 4.11 0.52 -1.26 -1.59 118.95 124.73 3f59 s ARG 927 Ca -0.04 -0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.62 3f59 s ARG 927 Cb -0.03 -3.00 0.09 0.00 0.52 0.00 0.00 34.95 32.53 3f59 s ARG 927 CO 0.01 0.57 1.09 0.20 0.02 0.00 0.00 175.30 177.19 3f59 s GLY 928 N -2.68 1.63 0.43 -3.53 0.00 0.19 -4.91 107.32 98.45 3f59 s GLY 928 Ca 0.36 -0.06 0.21 0.00 0.00 0.00 0.00 44.72 45.23 3f59 s GLY 928 CO 0.28 0.37 1.88 1.48 0.00 0.00 0.00 173.10 177.11 3f59 h SER 929 N -1.25 0.00 -3.79 1.64 4.64 -1.89 -3.45 113.55 109.45 3f59 h SER 929 Ca -0.47 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.34 3f59 h SER 929 Cb 1.26 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.38 3f59 h SER 929 CO 0.56 0.27 0.50 -0.13 -0.87 0.00 0.00 176.83 177.15 3f59 s ARG 930 N -3.94 4.60 0.09 4.77 0.52 -1.26 -4.99 118.95 118.75 3f59 s ARG 930 Ca -0.01 1.85 -0.17 0.00 -0.52 0.00 0.00 55.73 56.88 3f59 s ARG 930 Cb 0.12 -3.18 -0.10 0.00 0.52 0.00 0.00 34.95 32.31 3f59 s ARG 930 CO 0.65 0.15 0.34 -2.39 0.02 0.00 0.00 175.30 174.07 3f59 n HIS 931 N 1.25 -0.17 -3.65 -0.53 1.44 -1.26 -2.00 115.22 110.29 3f59 n HIS 931 Ca -0.01 0.55 -0.20 0.00 -2.01 0.00 0.00 57.72 56.05 3f59 n HIS 931 Cb 0.44 -1.11 -0.03 0.00 0.12 0.00 0.00 29.99 29.41 3f59 n HIS 931 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3f59 n ASN 932 N 1.07 -0.41 -0.12 4.39 3.02 -1.26 -4.84 115.26 117.11 3f59 n ASN 932 Ca 0.10 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 3f59 n ASN 932 Cb 0.12 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 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 -1.78 1.82 3.75 7.41 0.00 -0.85 -4.50 105.19 111.04 3f59 n GLY 933 Ca -0.14 -2.03 -0.41 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 4.40 -0.02 0.99 2.96 -1.26 -4.46 118.68 121.29 3f59 s LEU 934 Ca 0.00 2.62 -0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3f59 s LEU 934 Cb 0.00 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.09 3f59 s LEU 934 CO 0.00 -0.63 0.03 -0.60 -1.32 0.00 0.00 176.35 173.83 3f59 s ARG 935 N -0.65 -0.03 -0.25 1.98 3.52 -0.52 0.54 118.95 123.55 3f59 s ARG 935 Ca 0.56 0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 56.33 3f59 s ARG 935 Cb -0.40 -0.27 0.02 0.00 -1.56 0.00 0.00 34.95 32.73 3f59 s ARG 935 CO 0.45 -0.18 -0.04 0.08 -0.81 0.00 0.00 175.30 174.80 3f59 s VAL 936 N 1.13 3.08 -0.31 7.11 1.01 -0.62 -0.20 120.40 131.60 3f59 s VAL 936 Ca -0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3f59 s VAL 936 Cb -0.13 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.74 3f59 s VAL 936 CO -0.03 0.23 0.08 -0.69 0.00 0.00 0.00 175.10 174.68 3f59 s VAL 937 N 1.37 3.74 -0.48 2.92 1.01 0.79 -2.08 120.40 127.68 3f59 s VAL 937 Ca 0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3f59 s VAL 937 Cb -0.16 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.30 3f59 s VAL 937 CO -0.04 -0.04 0.37 -0.63 0.00 0.00 0.00 175.10 174.76 3f59 s ILE 938 N 1.43 4.49 0.84 2.22 -1.09 -0.31 -0.99 121.20 127.79 3f59 s ILE 938 Ca -0.00 -1.63 -0.10 0.00 -2.23 0.00 0.00 60.65 56.68 3f59 s ILE 938 Cb -0.18 -3.90 0.10 0.00 -1.58 0.00 0.00 42.46 36.90 3f59 s ILE 938 CO 0.02 -0.75 1.11 -2.84 -1.23 0.00 0.00 174.94 171.25 3f59 s PRO 939 N 1.44 1.70 0.31 2.79 0.02 -1.26 -1.23 135.00 138.76 3f59 s PRO 939 Ca 0.05 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 3f59 s PRO 939 Cb -0.27 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 3f59 s PRO 939 CO 0.01 -2.08 1.29 -2.30 -0.33 0.00 0.00 177.00 173.59 3f59 n PRO 940 N -3.84 2.01 -1.66 5.54 -0.02 -1.26 -2.82 135.00 132.96 3f59 n PRO 940 Ca 0.10 0.71 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 3f59 n PRO 940 Cb 0.53 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.97 -1.09 0.10 -0.52 1.74 0.17 -4.81 116.66 113.21 3f59 n ARG 941 Ca 0.07 0.95 0.10 0.00 -0.77 0.00 0.00 57.85 58.20 3f59 n ARG 941 Cb 0.34 -5.15 -0.01 0.00 -1.02 0.00 0.00 32.46 26.63 3f59 n ARG 941 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3f59 h THR 942 N 0.00 0.08 -3.63 0.55 1.35 -1.79 -3.42 112.91 106.05 3f59 h THR 942 Ca -0.32 -1.16 -0.68 0.00 -0.55 0.00 0.00 66.41 63.70 3f59 h THR 942 Cb 1.06 1.59 -0.30 0.00 -1.73 0.00 0.00 68.15 68.77 3f59 h THR 942 CO 0.45 0.04 -0.68 0.00 -0.25 0.00 0.00 175.52 175.08 3f59 h ALA 944 N 8.09 1.30 -2.41 0.00 0.00 -1.92 -3.21 119.26 121.11 3f59 h ALA 944 Ca -0.28 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 3f59 h ALA 944 Cb 1.09 -0.32 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 3f59 h ALA 944 CO 0.57 0.59 -0.65 0.00 0.00 0.00 0.00 179.25 179.76 3f59 s ALA 945 N -5.77 0.83 0.08 0.00 0.00 -1.26 -4.79 121.76 110.86 3f59 s ALA 945 Ca -0.12 -1.45 -0.35 0.00 0.00 0.00 0.00 51.96 50.04 3f59 s ALA 945 Cb 0.17 0.81 -0.15 0.00 0.00 0.00 0.00 23.12 23.95 3f59 s ALA 945 CO 0.81 -0.48 1.53 -2.30 0.00 0.00 0.00 175.76 175.32 3f59 n PRO 946 N -0.08 1.73 -4.16 0.00 -0.02 -1.26 -4.71 135.00 126.51 3f59 n PRO 946 Ca -0.06 0.63 -0.17 0.00 -2.02 0.00 0.00 63.50 61.87 3f59 n PRO 946 Cb 0.63 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 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 1.23 0.44 -0.33 3.45 2.01 -0.22 -4.98 115.64 117.24 3f59 s THR 947 Ca 0.83 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 3f59 s THR 947 Cb -0.80 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.31 3f59 s THR 947 CO 0.44 0.15 0.91 -0.60 -0.69 0.00 0.00 174.62 174.83 3f59 s ARG 948 N 0.18 3.95 -0.19 4.92 3.52 -1.26 -1.43 118.95 128.63 3f59 s ARG 948 Ca -0.02 0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 56.17 3f59 s ARG 948 Cb -0.06 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 3f59 s ARG 948 CO -0.00 -0.83 0.25 0.42 -0.81 0.00 0.00 175.30 174.33 3f59 s ILE 949 N 3.31 5.32 0.07 4.11 -1.09 0.81 -3.73 121.20 130.00 3f59 s ILE 949 Ca 0.38 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 59.23 3f59 s ILE 949 Cb -0.13 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3f59 s ILE 949 CO 0.15 0.36 -0.05 0.42 -1.23 0.00 0.00 174.94 174.59 3f59 s THR 950 N 0.74 0.45 -0.08 2.92 -4.23 -0.89 -1.09 115.64 113.47 3f59 s THR 950 Ca 0.13 -1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 3f59 s THR 950 Cb -0.13 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.34 3f59 s THR 950 CO 0.04 -0.85 0.17 0.00 -0.54 0.00 0.00 174.62 173.44 3f59 s ARG 952 N 1.50 2.17 0.07 0.00 3.52 -0.73 0.82 118.95 126.30 3f59 s ARG 952 Ca -0.06 -0.91 -0.28 0.00 -0.13 0.00 0.00 55.73 54.35 3f59 s ARG 952 Cb -0.12 -2.08 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 3f59 s ARG 952 CO -0.06 0.55 0.90 -0.51 -0.81 0.00 0.00 175.30 175.37 3f59 s LEU 953 N -0.59 4.46 -0.16 -0.88 1.43 -1.26 -1.12 118.68 120.56 3f59 s LEU 953 Ca 0.09 1.65 -0.02 0.00 -1.03 0.00 0.00 54.13 54.82 3f59 s LEU 953 Cb -0.10 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 3f59 s LEU 953 CO -0.01 -0.08 -0.09 -0.69 0.23 0.00 0.00 176.35 175.72 3f59 s VAL 954 N 0.17 3.27 -0.02 -1.59 1.01 -0.37 -4.92 120.40 117.96 3f59 s VAL 954 Ca 0.45 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3f59 s VAL 954 Cb -0.22 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3f59 s VAL 954 CO 0.27 0.49 1.08 -0.54 0.00 0.00 0.00 175.10 176.40 3f59 s LYS 955 N 0.69 4.46 0.39 2.72 1.02 -1.26 -4.09 119.74 123.67 3f59 s LYS 955 Ca -0.05 1.55 0.18 0.00 0.02 0.00 0.00 55.97 57.67 3f59 s LYS 955 Cb -0.15 -3.47 1.09 0.00 -0.52 0.00 0.00 37.83 34.77 3f59 s LYS 955 CO 0.02 -0.23 1.77 -1.35 -0.92 0.00 0.00 175.35 174.64 3f59 h PRO 956 N 7.00 0.40 -0.67 -1.68 0.11 -1.98 -1.16 132.00 134.02 3f59 h PRO 956 Ca -0.38 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.79 3f59 h PRO 956 Cb 1.19 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3f59 h PRO 956 CO 0.81 0.26 0.44 1.96 -0.21 0.00 0.00 178.00 181.27 3f59 h GLN 957 N 0.41 0.57 0.00 1.05 7.50 -2.06 -1.88 115.11 120.71 3f59 h GLN 957 Ca 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.71 3f59 h GLN 957 Cb 1.47 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.87 3f59 h GLN 957 CO -0.30 0.38 0.00 1.63 -1.50 0.00 0.00 178.83 179.04 3f59 n LYS 958 N -4.48 0.17 -2.55 1.46 5.02 -0.44 -4.82 118.16 112.52 3f59 n LYS 958 Ca 0.10 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 56.18 3f59 n LYS 958 Cb 0.30 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 3f59 n LYS 958 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f59 s LEU 959 N -4.05 4.48 0.26 -0.35 1.43 -0.71 -4.94 118.68 114.79 3f59 s LEU 959 Ca 0.10 2.02 0.15 0.00 -1.03 0.00 0.00 54.13 55.38 3f59 s LEU 959 Cb 0.13 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.80 3f59 s LEU 959 CO 0.53 -0.21 1.38 0.77 0.23 0.00 0.00 176.35 179.05 3f59 h SER 960 N 5.36 0.00 -2.38 2.29 4.64 -1.88 -3.39 113.55 118.19 3f59 h SER 960 Ca -0.44 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.43 3f59 h SER 960 Cb 1.21 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.94 3f59 h SER 960 CO 0.73 0.50 -0.74 0.42 -0.87 0.00 0.00 176.83 176.86 3f59 s THR 961 N -2.96 -0.16 0.83 2.95 -4.23 -1.26 -5.14 115.64 105.67 3f59 s THR 961 Ca 0.03 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 3f59 s THR 961 Cb 0.08 -0.95 0.09 0.00 1.34 0.00 0.00 72.50 73.06 3f59 s THR 961 CO 0.75 -0.70 1.15 -2.16 -0.54 0.00 0.00 174.62 173.12 3f59 s PRO 962 N 1.73 1.79 0.11 3.99 0.04 -1.26 -4.78 135.00 136.62 3f59 s PRO 962 Ca 0.13 0.24 -0.34 0.00 0.04 0.00 0.00 61.00 61.08 3f59 s PRO 962 Cb -0.17 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 3f59 s PRO 962 CO -0.18 -1.74 1.62 -2.30 0.04 0.00 0.00 177.00 174.44 3f59 n PRO 963 N -3.44 2.08 -2.23 0.56 -0.02 -1.26 -4.91 135.00 125.78 3f59 n PRO 963 Ca 0.07 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 3f59 n PRO 963 Cb 0.60 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.48 4.41 -0.07 0.52 0.04 -1.26 -5.03 135.00 135.10 3f59 s PRO 964 Ca 0.82 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.94 3f59 s PRO 964 Cb -0.70 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 30.68 3f59 s PRO 964 CO 0.41 -0.19 -0.13 -0.51 0.04 0.00 0.00 177.00 176.62 3f59 s LEU 965 N -0.56 1.70 0.00 -3.56 1.43 -1.26 -5.08 118.68 111.36 3f59 s LEU 965 Ca 0.54 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 3f59 s LEU 965 Cb -0.37 -0.88 0.24 0.00 0.03 0.00 0.00 46.19 45.22 3f59 s LEU 965 CO 0.41 0.05 1.16 0.00 0.23 0.00 0.00 176.35 178.21 3f59 n ALA 966 N 3.74 -2.19 0.15 4.21 0.00 -1.26 -4.93 120.51 120.22 3f59 n ALA 966 Ca -0.22 -1.59 -0.14 0.00 0.00 0.00 0.00 53.44 51.48 3f59 n ALA 966 Cb 0.52 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 3f59 n ALA 966 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3f59 h GLU 967 N 0.00 -0.67 -1.19 0.00 4.11 -2.02 -2.44 114.58 112.37 3f59 h GLU 967 Ca -0.40 0.05 -0.61 0.00 0.07 0.00 0.00 59.36 58.47 3f59 h GLU 967 Cb 1.15 0.15 -0.25 0.00 0.50 0.00 0.00 28.75 30.29 3f59 h GLU 967 CO 0.27 -0.45 0.78 0.39 0.07 0.00 0.00 179.01 180.08 3f59 n GLU 968 N -4.94 2.50 -4.30 1.06 -0.58 -1.26 -4.89 120.64 108.23 3f59 n GLU 968 Ca -0.08 -2.92 -0.29 0.00 -0.42 0.00 0.00 57.16 53.45 3f59 n GLU 968 Cb 0.36 -2.14 -0.11 0.00 -0.57 0.00 0.00 31.44 28.97 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 -3.38 1.83 0.20 3.49 2.02 -0.92 -4.63 118.70 117.31 3f59 s GLU 969 Ca 0.57 -1.20 -0.18 0.00 0.02 0.00 0.00 54.97 54.18 3f59 s GLU 969 Cb 0.45 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.59 3f59 s GLU 969 CO -0.04 0.47 0.54 0.20 0.02 0.00 0.00 175.26 176.45 3f59 s GLY 970 N -2.28 -0.09 0.21 -1.39 0.00 -0.93 -4.75 107.32 98.08 3f59 s GLY 970 Ca 0.19 -0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.40 3f59 s GLY 970 CO 0.11 -0.25 1.21 1.08 0.00 0.00 0.00 173.10 175.26 3f59 s LEU 971 N -2.87 4.46 0.00 0.66 1.43 -1.26 -0.55 118.68 120.54 3f59 s LEU 971 Ca 0.09 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.57 3f59 s LEU 971 Cb -0.01 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.69 3f59 s LEU 971 CO -0.02 -0.38 0.83 0.00 0.23 0.00 0.00 176.35 177.00 3f59 n ALA 972 N 2.24 2.43 -3.15 4.21 0.00 0.18 -4.78 120.51 121.65 3f59 n ALA 972 Ca 0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 3f59 n ALA 972 Cb 0.44 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.73 -0.09 0.77 0.00 1.04 -1.13 0.37 113.70 113.93 3f59 s SER 973 Ca 0.11 -0.92 -0.13 0.00 0.48 0.00 0.00 55.95 55.49 3f59 s SER 973 Cb 0.07 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.83 3f59 s SER 973 CO 0.10 -1.12 1.16 -0.13 0.98 0.00 0.00 173.24 174.23 3f59 s ARG 974 N -4.01 1.95 -0.03 4.02 1.81 -1.26 -4.62 118.95 116.80 3f59 s ARG 974 Ca 0.22 1.57 -0.25 0.00 -1.72 0.00 0.00 55.73 55.55 3f59 s ARG 974 Cb -0.00 -1.83 -0.04 0.00 -0.45 0.00 0.00 34.95 32.63 3f59 s ARG 974 CO 0.08 -1.93 0.75 0.42 -0.68 0.00 0.00 175.30 173.94 3f59 s ILE 975 N -2.34 4.96 -0.06 1.52 1.01 -1.26 -4.57 121.20 120.45 3f59 s ILE 975 Ca 0.69 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.97 3f59 s ILE 975 Cb -0.24 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3f59 s ILE 975 CO 0.50 0.26 -0.22 0.27 0.00 0.00 0.00 174.94 175.75 3f59 s ILE 976 N 0.65 2.34 -0.42 2.92 -4.36 -0.79 -1.23 121.20 120.31 3f59 s ILE 976 Ca 0.40 -0.96 -0.09 0.00 -0.26 0.00 0.00 60.65 59.73 3f59 s ILE 976 Cb -0.19 -1.88 0.07 0.00 1.25 0.00 0.00 42.46 41.72 3f59 s ILE 976 CO 0.21 0.57 0.26 0.00 0.24 0.00 0.00 174.94 176.21 3f59 s ALA 977 N -0.21 3.29 -0.05 2.27 0.00 -0.27 -1.59 121.76 125.20 3f59 s ALA 977 Ca -0.02 -2.11 -0.29 0.00 0.00 0.00 0.00 51.96 49.54 3f59 s ALA 977 Cb -0.13 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3f59 s ALA 977 CO 0.03 -1.63 0.95 -0.51 0.00 0.00 0.00 175.76 174.60 3f59 s LEU 978 N 1.44 4.31 0.14 0.00 1.43 -1.26 -1.78 118.68 122.96 3f59 s LEU 978 Ca 0.03 1.54 0.07 0.00 -1.03 0.00 0.00 54.13 54.73 3f59 s LEU 978 Cb -0.23 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3f59 s LEU 978 CO 0.03 -0.32 -0.02 -0.83 0.23 0.00 0.00 176.35 175.44 3f59 s GLY 979 N 1.03 1.80 0.33 -3.19 0.00 0.10 -3.80 107.32 103.58 3f59 s GLY 979 Ca 0.48 -1.27 -0.28 0.00 0.00 0.00 0.00 44.72 43.66 3f59 s GLY 979 CO 0.23 -1.27 1.13 2.56 0.00 0.00 0.00 173.10 175.75 3f59 s PRO 980 N -2.61 4.40 0.16 2.90 0.05 -1.24 -2.09 135.00 136.57 3f59 s PRO 980 Ca 0.26 1.81 -0.32 0.00 0.05 0.00 0.00 61.00 62.80 3f59 s PRO 980 Cb -0.10 -2.96 -0.10 0.00 0.05 0.00 0.00 34.50 31.39 3f59 s PRO 980 CO 0.17 -0.01 1.64 0.99 0.05 0.00 0.00 177.00 179.84 3f59 s THR 981 N -1.30 2.50 0.00 1.26 2.01 -1.25 -2.37 115.64 116.49 3f59 s THR 981 Ca 0.50 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.80 3f59 s THR 981 Cb -0.31 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3f59 s THR 981 CO 0.40 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 3f59 n GLY 982 N 3.88 0.75 3.68 4.40 0.00 0.13 -5.02 105.19 113.01 3f59 n GLY 982 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.48 1.29 -2.64 4.61 0.00 -1.00 -4.67 120.51 117.61 3f59 n ALA 983 Ca 0.00 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 3f59 n ALA 983 Cb 0.00 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.92 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 2.42 4.09 0.11 0.00 -1.52 -1.26 -1.97 119.66 121.52 3f59 s GLN 984 Ca 0.85 0.02 -0.00 0.00 -1.95 0.00 0.00 55.36 54.28 3f59 s GLN 984 Cb -0.65 -3.58 -0.04 0.00 -0.22 0.00 0.00 33.01 28.51 3f59 s GLN 984 CO 0.43 -0.11 0.27 -0.06 -0.25 0.00 0.00 175.29 175.57 3f59 s PHE 985 N 1.54 3.50 -0.24 0.91 0.08 0.35 -4.94 117.98 119.18 3f59 s PHE 985 Ca 0.15 0.26 0.28 0.00 0.12 0.00 0.00 56.93 57.74 3f59 s PHE 985 Cb -0.15 -1.78 0.90 0.00 -0.57 0.00 0.00 43.02 41.42 3f59 s PHE 985 CO 0.08 0.53 1.80 -0.07 -0.10 0.00 0.00 175.22 177.46 3f59 h LEU 986 N 2.70 0.00 -8.18 -0.37 3.38 -0.88 -3.45 115.31 108.51 3f59 h LEU 986 Ca -0.46 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 3f59 h LEU 986 Cb 1.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 3f59 h LEU 986 CO 0.73 0.00 -0.32 -0.55 0.09 0.00 0.00 178.44 178.39 3f59 s SER 987 N -5.62 0.03 0.41 -0.43 0.15 -1.26 -5.00 113.70 101.98 3f59 s SER 987 Ca 0.05 -0.95 -0.25 0.00 0.70 0.00 0.00 55.95 55.49 3f59 s SER 987 Cb 0.08 0.46 -0.08 0.00 -1.71 0.00 0.00 66.02 64.77 3f59 s SER 987 CO 0.58 -0.94 1.21 -2.84 1.20 0.00 0.00 173.24 172.45 3f59 s PRO 988 N -4.00 3.97 0.36 5.44 0.02 -1.26 -4.74 135.00 134.79 3f59 s PRO 988 Ca 0.21 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.25 3f59 s PRO 988 Cb 0.03 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 3f59 s PRO 988 CO 0.03 -0.42 0.15 0.14 -0.33 0.00 0.00 177.00 176.58 3f59 s VAL 989 N -1.38 2.80 -0.07 3.83 -7.23 0.58 -4.65 120.40 114.28 3f59 s VAL 989 Ca 0.58 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 3f59 s VAL 989 Cb -0.33 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.65 3f59 s VAL 989 CO 0.41 -0.13 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.27 3f59 s ILE 990 N -2.48 1.55 -0.09 -0.62 1.01 -0.16 -1.69 121.20 118.72 3f59 s ILE 990 Ca 0.39 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.32 3f59 s ILE 990 Cb -0.01 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.11 3f59 s ILE 990 CO 0.23 0.45 -0.14 -0.69 0.00 0.00 0.00 174.94 174.78 3f59 s VAL 991 N 0.43 1.37 -0.23 2.92 1.01 0.07 -0.14 120.40 125.82 3f59 s VAL 991 Ca -0.14 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3f59 s VAL 991 Cb -0.16 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3f59 s VAL 991 CO 0.05 0.41 -0.04 -1.61 0.00 0.00 0.00 175.10 173.92 3f59 s GLU 992 N 0.87 3.21 -0.07 2.72 2.02 0.72 0.11 118.70 128.28 3f59 s GLU 992 Ca -0.10 -0.74 0.04 0.00 0.02 0.00 0.00 54.97 54.20 3f59 s GLU 992 Cb -0.15 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 3f59 s GLU 992 CO 0.01 -0.27 -0.21 -1.50 0.02 0.00 0.00 175.26 173.31 3f59 s ILE 993 N 1.44 2.43 0.41 -1.63 2.07 0.10 -1.44 121.20 124.59 3f59 s ILE 993 Ca 0.04 -0.93 -0.24 0.00 -1.41 0.00 0.00 60.65 58.12 3f59 s ILE 993 Cb -0.15 -1.93 -0.09 0.00 0.13 0.00 0.00 42.46 40.43 3f59 s ILE 993 CO -0.03 0.57 1.05 -2.16 -1.91 0.00 0.00 174.94 172.46 3f59 s PRO 994 N -0.17 4.11 0.16 3.50 0.04 -1.26 0.38 135.00 141.75 3f59 s PRO 994 Ca -0.02 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.61 3f59 s PRO 994 Cb -0.14 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 3f59 s PRO 994 CO 0.04 -0.19 -0.11 -3.38 0.04 0.00 0.00 177.00 173.40 3f59 s HIS 995 N -1.69 2.65 0.66 0.56 -3.43 0.36 -4.58 115.29 109.82 3f59 s HIS 995 Ca 0.59 -0.21 -0.16 0.00 -0.80 0.00 0.00 55.06 54.48 3f59 s HIS 995 Cb -0.22 -1.33 0.00 0.00 -1.43 0.00 0.00 32.58 29.61 3f59 s HIS 995 CO 0.27 0.48 1.14 -0.06 -2.00 0.00 0.00 174.74 174.57 3f59 s PHE 996 N -1.53 2.46 0.38 0.38 0.08 0.16 -4.81 117.98 115.10 3f59 s PHE 996 Ca 0.23 1.56 -0.26 0.00 0.12 0.00 0.00 56.93 58.59 3f59 s PHE 996 Cb -0.09 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 38.98 3f59 s PHE 996 CO 0.14 -1.96 1.16 0.00 -0.10 0.00 0.00 175.22 174.47 3f59 s ALA 997 N -2.13 3.20 -0.00 5.36 0.00 -1.26 -4.99 121.76 121.93 3f59 s ALA 997 Ca 0.70 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 53.44 3f59 s ALA 997 Cb -0.24 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 3f59 s ALA 997 CO 0.40 -0.48 0.52 -1.54 0.00 0.00 0.00 175.76 174.67 3f59 s SER 998 N -1.10 6.91 -0.10 0.00 1.04 -1.26 -5.16 113.70 114.02 3f59 s SER 998 Ca 0.55 1.08 0.17 0.00 0.48 0.00 0.00 55.95 58.23 3f59 s SER 998 Cb -0.31 -2.32 0.62 0.00 0.10 0.00 0.00 66.02 64.11 3f59 s SER 998 CO 0.39 0.18 1.53 1.41 0.98 0.00 0.00 173.24 177.73 3f59 n HIS 999 N 2.42 1.22 0.00 5.02 8.25 -1.26 -5.33 115.22 125.54 3f59 n HIS 999 Ca -0.09 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 3f59 n HIS 999 Cb 0.51 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3f59 n HIS 999 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3f59 n ARG 1004N 0.75 0.00 -2.74 -0.41 3.00 -1.26 -5.30 116.66 110.70 3f59 n ARG 1004Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.66 3f59 n ARG 1004Cb 0.81 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.24 3f59 n ARG 1004CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3f59 s GLU 1005N -3.15 4.57 -0.14 -0.14 2.12 -1.25 -4.86 118.70 115.85 3f59 s GLU 1005Ca 0.00 1.39 -0.16 0.00 0.36 0.00 0.00 54.97 56.56 3f59 s GLU 1005Cb 0.00 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3f59 s GLU 1005CO 0.00 0.00 0.37 -0.51 -0.54 0.00 0.00 175.26 174.58 3f59 s LEU 1006N 0.82 4.26 -0.04 2.70 1.43 -1.26 -0.55 118.68 126.04 3f59 s LEU 1006Ca 0.50 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.28 3f59 s LEU 1006Cb -0.21 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 3f59 s LEU 1006CO 0.28 0.07 -0.15 -0.69 0.23 0.00 0.00 176.35 176.08 3f59 s VAL 1007N 0.48 1.28 -0.05 -1.59 1.01 0.23 -4.95 120.40 116.82 3f59 s VAL 1007Ca 0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3f59 s VAL 1007Cb -0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3f59 s VAL 1007CO 0.07 0.37 0.88 -0.69 0.00 0.00 0.00 175.10 175.74 3f59 s VAL 1008N 0.10 4.92 0.13 2.92 1.01 -1.26 0.07 120.40 128.28 3f59 s VAL 1008Ca -0.04 1.83 0.10 0.00 0.00 0.00 0.00 61.98 63.87 3f59 s VAL 1008Cb -0.11 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3f59 s VAL 1008CO 0.02 0.16 -0.20 -0.76 0.00 0.00 0.00 175.10 174.31 3f59 s LEU 1009N 1.16 2.60 0.09 3.92 1.43 0.18 -0.82 118.68 127.23 3f59 s LEU 1009Ca 0.46 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3f59 s LEU 1009Cb -0.19 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3f59 s LEU 1009CO 0.22 0.17 -0.08 0.00 0.23 0.00 0.00 176.35 176.90 3f59 s ARG 1010N -2.17 0.78 -0.08 1.70 1.70 0.60 -1.63 118.95 119.85 3f59 s ARG 1010Ca 0.17 -1.16 -0.00 0.00 -0.47 0.00 0.00 55.73 54.27 3f59 s ARG 1010Cb -0.10 -0.33 0.03 0.00 -0.57 0.00 0.00 34.95 33.97 3f59 s ARG 1010CO 0.09 0.03 -0.03 0.45 -1.08 0.00 0.00 175.30 174.76 3f59 s SER 1011N -2.56 1.60 0.20 -2.89 0.15 -0.31 -1.24 113.70 108.66 3f59 s SER 1011Ca 0.05 -0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.47 3f59 s SER 1011Cb -0.00 -0.55 0.13 0.00 -1.71 0.00 0.00 66.02 63.89 3f59 s SER 1011CO -0.02 -0.14 1.72 -0.33 1.20 0.00 0.00 173.24 175.67 3f59 h GLU 1012N 8.01 1.13 0.00 5.44 4.39 -1.86 -1.08 114.58 130.60 3f59 h GLU 1012Ca -0.26 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3f59 h GLU 1012Cb 1.13 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3f59 h GLU 1012CO 0.35 1.00 -0.33 0.27 -1.16 0.00 0.00 179.01 179.13 3f59 n ASN 1013N -4.23 0.00 0.00 1.42 0.23 -1.26 -2.69 115.26 108.73 3f59 n ASN 1013Ca 0.05 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 3f59 n ASN 1013Cb 0.26 -0.13 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 0.00 3.08 0.09 4.83 0.00 -1.26 -4.92 105.19 107.02 3f59 n GLY 1014Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.24 -4.02 1.61 4.64 -1.93 -3.40 113.55 110.68 3f59 h SER 1015Ca 0.00 -0.32 -0.39 0.00 -0.47 0.00 0.00 61.79 60.61 3f59 h SER 1015Cb 0.00 -0.08 -0.29 0.00 -0.31 0.00 0.00 62.40 61.72 3f59 h SER 1015CO 0.00 1.26 -0.78 -0.69 -0.87 0.00 0.00 176.83 175.75 3f59 s VAL 1016N -2.64 0.69 -0.14 0.95 1.01 -1.26 -4.96 120.40 114.05 3f59 s VAL 1016Ca -0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3f59 s VAL 1016Cb 0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3f59 s VAL 1016CO 0.84 0.20 -0.12 0.26 0.00 0.00 0.00 175.10 176.28 3f59 s TRP 1017N -0.19 2.83 0.09 5.22 0.52 -1.26 -4.23 118.94 121.91 3f59 s TRP 1017Ca 0.03 -0.69 0.04 0.00 0.02 0.00 0.00 56.10 55.50 3f59 s TRP 1017Cb -0.04 -1.87 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 3f59 s TRP 1017CO -0.00 -0.25 -0.10 0.15 0.02 0.00 0.00 176.95 176.76 3f59 s LYS 1018N 0.47 0.82 0.20 4.98 -0.14 -0.37 -4.95 119.74 120.75 3f59 s LYS 1018Ca -0.09 -1.11 -0.30 0.00 -1.36 0.00 0.00 55.97 53.11 3f59 s LYS 1018Cb -0.16 -0.55 -0.09 0.00 -1.68 0.00 0.00 37.83 35.35 3f59 s LYS 1018CO 0.04 0.09 1.27 -2.00 -0.76 0.00 0.00 175.35 173.99 3f59 s GLU 1019N -2.59 4.43 -0.16 1.68 2.12 -1.26 -0.29 118.70 122.62 3f59 s GLU 1019Ca 0.04 2.00 -0.08 0.00 0.36 0.00 0.00 54.97 57.29 3f59 s GLU 1019Cb -0.04 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 3f59 s GLU 1019CO 0.00 -0.18 0.11 -1.58 -0.54 0.00 0.00 175.26 173.07 3f59 s HIS 1020N -0.04 3.41 0.00 5.30 5.65 0.00 -4.83 115.29 124.79 3f59 s HIS 1020Ca 0.55 0.32 -0.02 0.00 0.25 0.00 0.00 55.06 56.16 3f59 s HIS 1020Cb -0.35 -2.04 -0.01 0.00 -1.18 0.00 0.00 32.58 29.00 3f59 s HIS 1020CO 0.39 0.41 -0.03 0.54 -0.65 0.00 0.00 174.74 175.39 3f59 n ARG 1021N 2.94 0.05 0.00 2.88 5.12 -1.26 -4.55 116.66 121.84 3f59 n ARG 1021Ca -0.18 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3f59 n ARG 1021Cb 0.53 -0.35 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 3f59 n ARG 1021CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3f59 n SER 1022N -2.92 0.00 0.00 0.55 3.41 -1.26 -4.82 113.62 108.59 3f59 n SER 1022Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3f59 n SER 1022Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3f59 n SER 1022CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f59 n GLY 1025N 0.00 -1.95 0.25 5.00 0.00 -1.26 -5.15 105.19 102.08 3f59 n GLY 1025Ca 0.00 0.81 0.11 0.00 0.00 0.00 0.00 46.02 46.94 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 0.00 1.61 4.39 -2.00 -2.10 114.58 116.48 3f59 h GLU 1026Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3f59 h GLU 1026Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3f59 h GLU 1026CO 0.00 0.14 -0.13 0.77 -1.16 0.00 0.00 179.01 178.63 3f59 h SER 1027N 0.00 0.00 -0.30 1.42 0.02 -2.06 -3.17 113.55 109.47 3f59 h SER 1027Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3f59 h SER 1027Cb 0.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3f59 h SER 1027CO 0.02 0.13 0.01 -1.22 -1.14 0.00 0.00 176.83 174.62 3f59 n TYR 1028N -3.34 1.05 0.12 3.45 4.01 -0.79 -4.76 117.16 116.89 3f59 n TYR 1028Ca -0.00 -0.96 -0.13 0.00 -0.16 0.00 0.00 57.90 56.65 3f59 n TYR 1028Cb 0.34 -0.35 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 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 1.81 -0.62 -0.63 7.72 3.38 -1.62 0.25 115.31 125.59 3f59 h LEU 1029Ca 0.03 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3f59 h LEU 1029Cb 1.52 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 42.41 3f59 h LEU 1029CO 0.27 -0.31 0.13 0.44 0.09 0.00 0.00 178.44 179.05 3f59 h ASP 1030N -0.43 -0.02 -0.59 -0.43 5.19 -1.88 0.20 116.42 118.46 3f59 h ASP 1030Ca 0.02 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3f59 h ASP 1030Cb 0.44 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 3f59 h ASP 1030CO -0.11 -0.01 0.32 1.56 -3.12 0.00 0.00 179.24 177.88 3f59 h GLN 1031N 0.25 0.83 -0.66 3.56 7.50 -1.76 -2.78 115.11 122.05 3f59 h GLN 1031Ca 0.33 -0.10 -0.03 0.00 0.50 0.00 0.00 58.65 59.35 3f59 h GLN 1031Cb 0.52 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.86 3f59 h GLN 1031CO -0.43 0.63 0.27 0.82 -1.50 0.00 0.00 178.83 178.62 3f59 h ILE 1032N 0.80 1.23 0.00 2.54 2.04 0.50 -2.95 117.51 121.66 3f59 h ILE 1032Ca 0.21 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3f59 h ILE 1032Cb 0.05 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3f59 h ILE 1032CO -0.03 0.28 0.00 -0.07 0.00 0.00 0.00 178.15 178.33 3f59 h LEU 1033N 0.95 0.00 -1.55 1.44 3.38 -0.70 -3.45 115.31 115.38 3f59 h LEU 1033Ca 0.22 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.72 3f59 h LEU 1033Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3f59 h LEU 1033CO -0.02 0.00 -0.83 0.59 0.09 0.00 0.00 178.44 178.26 3f59 n ASN 1034N -2.95 -1.99 -0.38 -0.43 3.02 -1.12 -1.05 115.26 110.37 3f59 n ASN 1034Ca -0.00 -0.90 -0.05 0.00 -0.03 0.00 0.00 54.58 53.59 3f59 n ASN 1034Cb 0.21 -3.48 -0.02 0.00 -0.61 0.00 0.00 39.78 35.88 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 -1.72 0.75 3.76 7.41 0.00 -1.26 -4.58 105.19 109.55 3f59 n GLY 1035Ca -0.17 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.02 3.72 -1.44 1.61 1.75 -0.21 -4.91 119.30 117.79 3f59 s MET 1036Ca 0.00 2.03 -0.08 0.00 -1.25 0.00 0.00 55.69 56.40 3f59 s MET 1036Cb 0.00 -2.53 0.04 0.00 2.84 0.00 0.00 34.83 35.18 3f59 s MET 1036CO 0.00 -0.66 2.57 -3.47 -0.65 0.00 0.00 175.02 172.82 3f59 n ASP 1037N -0.33 8.04 -3.96 1.11 2.03 -1.26 -4.88 116.55 117.30 3f59 n ASP 1037Ca 0.06 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 3f59 n ASP 1037Cb 0.45 -1.45 -0.13 0.00 -0.72 0.00 0.00 41.12 39.28 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 0.31 0.29 -0.07 -0.67 0.41 -1.26 -5.15 118.70 112.56 3f59 s GLU 1038Ca 0.59 -0.39 -0.08 0.00 -0.41 0.00 0.00 54.97 54.67 3f59 s GLU 1038Cb 0.18 -0.11 -0.04 0.00 -1.78 0.00 0.00 34.13 32.38 3f59 s GLU 1038CO -0.08 0.02 0.22 -1.21 -0.49 0.00 0.00 175.26 173.72 3f59 s GLU 1039N -0.83 3.56 -0.12 1.61 0.41 -1.26 -5.09 118.70 116.98 3f59 s GLU 1039Ca -0.07 -0.02 0.03 0.00 -0.41 0.00 0.00 54.97 54.50 3f59 s GLU 1039Cb -0.06 -3.17 -0.00 0.00 -1.78 0.00 0.00 34.13 29.12 3f59 s GLU 1039CO -0.00 0.74 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.78 3f59 s LEU 1040N -1.20 2.23 0.72 1.80 1.43 -1.26 -5.13 118.68 117.26 3f59 s LEU 1040Ca 0.19 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3f59 s LEU 1040Cb -0.13 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3f59 s LEU 1040CO 0.09 0.14 1.07 -0.83 0.23 0.00 0.00 176.35 177.04 3f59 s GLY 1041N 0.49 1.66 1.02 -3.19 0.00 -1.26 -5.04 107.32 101.00 3f59 s GLY 1041Ca -0.14 0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 3f59 s GLY 1041CO 0.05 0.35 1.08 -1.35 0.00 0.00 0.00 173.10 173.23 3f59 s SER 1042N -3.83 2.16 0.35 1.64 1.04 -1.26 -4.81 113.70 108.99 3f59 s SER 1042Ca 0.59 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.78 3f59 s SER 1042Cb -0.14 -2.34 0.64 0.00 0.10 0.00 0.00 66.02 64.28 3f59 s SER 1042CO 0.55 -3.50 1.86 -0.07 0.98 0.00 0.00 173.24 173.06 3f59 h LEU 1043N -2.14 0.35 -0.45 2.42 3.38 -1.98 -0.68 115.31 116.21 3f59 h LEU 1043Ca -0.53 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.30 3f59 h LEU 1043Cb 1.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3f59 h LEU 1043CO 0.49 0.51 0.07 -0.33 0.09 0.00 0.00 178.44 179.27 3f59 h GLU 1044N 0.35 0.75 -0.40 1.13 3.07 -1.99 0.14 114.58 117.63 3f59 h GLU 1044Ca 0.07 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.64 3f59 h GLU 1044Cb 0.43 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3f59 h GLU 1044CO 0.02 0.77 -0.09 0.93 -1.40 0.00 0.00 179.01 179.24 3f59 h GLU 1045N 0.61 0.69 -0.26 2.33 5.08 -1.87 -2.48 114.58 118.68 3f59 h GLU 1045Ca 0.14 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3f59 h GLU 1045Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3f59 h GLU 1045CO 0.01 0.76 0.10 -0.07 -1.00 0.00 0.00 179.01 178.81 3f59 h LEU 1046N 0.63 0.36 -0.56 1.33 4.07 -0.75 -2.29 115.31 118.10 3f59 h LEU 1046Ca 0.11 -0.17 0.11 0.00 0.08 0.00 0.00 57.88 58.01 3f59 h LEU 1046Cb 0.53 -0.09 -0.11 0.00 1.08 0.00 0.00 40.66 42.06 3f59 h LEU 1046CO 0.03 0.44 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.32 3f59 h GLU 1047N 0.26 -0.04 -0.81 1.13 5.08 -0.59 -1.27 114.58 118.35 3f59 h GLU 1047Ca 0.09 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3f59 h GLU 1047Cb 0.19 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3f59 h GLU 1047CO -0.01 -0.03 0.51 0.87 -1.00 0.00 0.00 179.01 179.35 3f59 h LYS 1048N -0.04 0.94 0.00 2.33 1.57 -1.23 -1.39 116.57 118.74 3f59 h LYS 1048Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3f59 h LYS 1048Cb 0.45 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3f59 h LYS 1048CO -0.59 0.62 0.00 1.63 -0.57 0.00 0.00 179.45 180.54 3f59 n LYS 1049N -4.61 0.97 -3.75 3.15 5.02 -0.68 -4.91 118.16 113.34 3f59 n LYS 1049Ca 0.10 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 3f59 n LYS 1049Cb 0.12 -1.37 0.02 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 -0.87 -4.12 -4.98 1.97 1.74 -0.52 -4.90 116.66 104.97 3f59 n ARG 1050Ca 0.17 0.56 -0.27 0.00 -0.77 0.00 0.00 57.85 57.54 3f59 n ARG 1050Cb 0.08 -4.94 -0.16 0.00 -1.02 0.00 0.00 32.46 26.42 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 -3.73 1.61 -0.11 1.55 1.01 -0.57 -0.49 120.40 119.68 3f59 s VAL 1051Ca 0.05 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 3f59 s VAL 1051Cb -0.02 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3f59 s VAL 1051CO 0.83 0.46 -0.01 0.00 0.00 0.00 0.00 175.10 176.38 3f59 s ARG 1053N -0.39 3.67 -0.22 0.00 3.52 -1.26 -0.72 118.95 123.55 3f59 s ARG 1053Ca 0.07 -0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 55.08 3f59 s ARG 1053Cb -0.12 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 3f59 s ARG 1053CO 0.02 -0.37 0.24 0.42 -0.81 0.00 0.00 175.30 174.80 3f59 s ILE 1054N 1.81 5.31 -0.25 4.11 1.01 0.12 -4.98 121.20 128.32 3f59 s ILE 1054Ca 0.08 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 3f59 s ILE 1054Cb -0.17 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 3f59 s ILE 1054CO 0.11 0.32 0.04 -0.63 0.00 0.00 0.00 174.94 174.77 3f59 s ILE 1055N 1.10 3.95 0.01 2.92 1.01 -1.26 -0.75 121.20 128.18 3f59 s ILE 1055Ca 0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3f59 s ILE 1055Cb -0.14 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 3f59 s ILE 1055CO 0.05 0.32 0.02 0.28 0.00 0.00 0.00 174.94 175.61 3f59 s THR 1056N 1.55 0.07 -1.85 2.92 -1.32 -0.68 -4.49 115.64 111.84 3f59 s THR 1056Ca 0.06 -0.59 0.24 0.00 -1.21 0.00 0.00 61.69 60.19 3f59 s THR 1056Cb -0.15 -0.23 0.10 0.00 -1.51 0.00 0.00 72.50 70.70 3f59 s THR 1056CO 0.01 -0.32 1.29 0.35 -2.21 0.00 0.00 174.62 173.74 3f59 n THR 1057N 2.03 0.00 -4.10 5.08 -2.24 -1.26 -0.31 114.28 113.48 3f59 n THR 1057Ca -0.20 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3f59 n THR 1057Cb 0.57 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.53 0.08 -0.35 3.42 -4.77 -1.26 -0.49 116.67 110.77 3f59 s ASP 1058Ca 0.20 -1.16 -0.05 0.00 -3.30 0.00 0.00 52.55 48.23 3f59 s ASP 1058Cb 0.18 0.44 0.05 0.00 -1.09 0.00 0.00 42.92 42.51 3f59 s ASP 1058CO 0.57 -0.93 0.11 -0.36 0.70 0.00 0.00 175.17 175.26 3f59 s PHE 1059N -4.08 3.31 0.88 2.11 0.08 -0.83 -4.98 117.98 114.46 3f59 s PHE 1059Ca 0.30 -1.65 -0.12 0.00 0.12 0.00 0.00 56.93 55.58 3f59 s PHE 1059Cb 0.04 -2.44 0.12 0.00 -0.57 0.00 0.00 43.02 40.17 3f59 s PHE 1059CO 0.09 -0.79 1.14 -1.25 -0.10 0.00 0.00 175.22 174.31 3f59 s PRO 1060N 1.34 1.43 0.17 0.24 0.04 -1.26 0.19 135.00 137.16 3f59 s PRO 1060Ca -0.01 0.27 -0.14 0.00 0.04 0.00 0.00 61.00 61.16 3f59 s PRO 1060Cb -0.20 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.58 3f59 s PRO 1060CO 0.01 -1.99 1.75 1.25 0.04 0.00 0.00 177.00 178.05 3f59 h LEU 1061N -1.35 0.14 -8.02 -3.56 5.85 -1.00 -3.40 115.31 103.97 3f59 h LEU 1061Ca -0.49 0.05 -0.28 0.00 0.84 0.00 0.00 57.88 58.00 3f59 h LEU 1061Cb 1.33 0.04 -0.24 0.00 0.37 0.00 0.00 40.66 42.15 3f59 h LEU 1061CO 0.63 0.11 -0.74 -0.31 -0.34 0.00 0.00 178.44 177.79 3f59 s TYR 1062N -6.15 0.51 0.19 1.25 2.02 -0.88 -4.12 117.35 110.18 3f59 s TYR 1062Ca -0.13 -0.31 0.09 0.00 -0.37 0.00 0.00 57.07 56.35 3f59 s TYR 1062Cb 0.13 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.33 3f59 s TYR 1062CO 0.72 -0.06 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.48 3f59 s PHE 1063N -0.80 2.59 0.03 2.71 0.08 -0.62 -1.16 117.98 120.81 3f59 s PHE 1063Ca -0.05 -0.24 -0.25 0.00 0.12 0.00 0.00 56.93 56.51 3f59 s PHE 1063Cb -0.06 -1.25 0.06 0.00 -0.57 0.00 0.00 43.02 41.20 3f59 s PHE 1063CO 0.00 0.53 0.57 0.54 -0.10 0.00 0.00 175.22 176.76 3f59 s VAL 1064N -1.79 0.02 -0.14 -0.44 0.11 -0.65 -1.88 120.40 115.64 3f59 s VAL 1064Ca 0.25 -0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 59.02 3f59 s VAL 1064Cb -0.08 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 3f59 s VAL 1064CO 0.15 -0.08 0.29 -0.63 -3.33 0.00 0.00 175.10 171.50 3f59 s ILE 1065N -2.18 5.29 0.02 7.04 1.01 -1.26 -0.65 121.20 130.47 3f59 s ILE 1065Ca -0.07 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.17 3f59 s ILE 1065Cb -0.01 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3f59 s ILE 1065CO 0.01 0.43 -0.06 -0.32 0.00 0.00 0.00 174.94 175.00 3f59 s MET 1066N 0.15 2.53 -0.00 2.79 -2.45 0.11 0.50 119.30 122.93 3f59 s MET 1066Ca 0.17 -0.75 0.02 0.00 -1.25 0.00 0.00 55.69 53.88 3f59 s MET 1066Cb -0.13 -2.50 -0.04 0.00 1.25 0.00 0.00 34.83 33.41 3f59 s MET 1066CO 0.05 0.59 -0.01 -1.54 1.05 0.00 0.00 175.02 175.16 3f59 s SER 1067N -1.55 5.05 0.00 1.11 1.04 0.29 0.77 113.70 120.41 3f59 s SER 1067Ca 0.18 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.63 3f59 s SER 1067Cb -0.11 -1.30 0.03 0.00 0.10 0.00 0.00 66.02 64.74 3f59 s SER 1067CO 0.09 0.29 0.64 0.54 0.98 0.00 0.00 173.24 175.77