#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugl s LEU 2 N 0.00 1.06 0.15 1.20 0.05 -1.26 -5.15 118.68 114.72 1ugl s LEU 2 Ca 0.00 0.03 -0.13 0.00 0.05 0.00 0.00 54.13 54.07 1ugl s LEU 2 Cb 0.00 -0.11 0.02 0.00 -2.05 0.00 0.00 46.19 44.05 1ugl s LEU 2 CO 0.00 -0.13 0.36 0.00 -0.55 0.00 0.00 176.35 176.04 1ugl s MET 3 N 1.10 1.13 -0.18 1.48 0.23 -1.26 -4.48 119.30 117.32 1ugl s MET 3 Ca -0.09 -0.92 -0.03 0.00 -1.03 0.00 0.00 55.69 53.62 1ugl s MET 3 Cb -0.13 0.44 -0.10 0.00 -1.53 0.00 0.00 34.83 33.51 1ugl s MET 3 CO -0.03 -0.44 -0.19 1.17 -2.03 0.00 0.00 175.02 173.50 1ugl n LYS 4 N -0.22 0.42 -0.00 3.16 0.00 -1.26 -4.95 118.16 115.30 1ugl n LYS 4 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1ugl n LYS 4 Cb 0.63 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1ugl n LYS 4 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1ugl n ARG 5 N -3.38 0.00 -1.72 1.64 0.00 -1.26 -5.08 116.66 106.86 1ugl n ARG 5 Ca -0.34 0.00 -0.67 0.00 -0.00 0.00 0.00 57.85 56.84 1ugl n ARG 5 Cb 0.80 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.16 1ugl n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ugl n THR 7 N 3.79 -5.31 -1.25 0.00 -2.24 -1.26 -4.75 114.28 103.26 1ugl n THR 7 Ca 0.30 2.40 -0.31 0.00 -2.27 0.00 0.00 64.05 64.17 1ugl n THR 7 Cb -0.05 -3.25 0.10 0.00 -2.10 0.00 0.00 70.33 65.04 1ugl n THR 7 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ugl n ARG 8 N -0.14 2.50 0.00 -0.78 0.63 -1.26 -4.57 116.66 113.04 1ugl n ARG 8 Ca 0.00 -3.08 0.00 0.00 -0.92 0.00 0.00 57.85 53.85 1ugl n ARG 8 Cb 0.00 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1ugl n ARG 8 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ugl n GLY 9 N -0.89 1.41 2.89 5.14 0.00 -1.26 -4.80 105.19 107.67 1ugl n GLY 9 Ca 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 1ugl n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ugl n PHE 10 N -0.53 -3.42 -2.83 1.61 -0.00 -1.26 -5.02 117.46 106.01 1ugl n PHE 10 Ca 0.00 1.37 -0.11 0.00 -0.00 0.00 0.00 57.45 58.71 1ugl n PHE 10 Cb 0.00 -4.06 0.05 0.00 -0.00 0.00 0.00 39.48 35.47 1ugl n PHE 10 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1ugl n ARG 11 N -0.49 1.07 -4.24 -4.13 -4.01 -1.26 -4.95 116.66 98.65 1ugl n ARG 11 Ca 0.10 -2.57 -0.23 0.00 -1.04 0.00 0.00 57.85 54.12 1ugl n ARG 11 Cb 0.47 -1.03 -0.06 0.00 -3.04 0.00 0.00 32.46 28.80 1ugl n ARG 11 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1ugl s LYS 12 N -1.17 2.47 0.02 2.89 3.01 0.18 -5.00 119.74 122.14 1ugl s LYS 12 Ca 0.28 -1.31 -0.15 0.00 -1.01 0.00 0.00 55.97 53.78 1ugl s LYS 12 Cb 0.37 -2.28 0.02 0.00 -1.01 0.00 0.00 37.83 34.93 1ugl s LYS 12 CO -0.05 0.38 0.32 -0.48 0.51 0.00 0.00 175.35 176.03 1ugl s LEU 13 N -3.71 0.80 0.00 3.17 2.34 -1.26 -1.36 118.68 118.65 1ugl s LEU 13 Ca 0.32 -0.06 0.00 0.00 0.06 0.00 0.00 54.13 54.45 1ugl s LEU 13 Cb -0.07 1.38 0.00 0.00 -0.56 0.00 0.00 46.19 46.94 1ugl s LEU 13 CO 0.21 -0.56 0.00 0.61 -1.06 0.00 0.00 176.35 175.55 1ugl n GLY 14 N 0.82 0.63 1.87 -3.48 0.00 -0.30 -4.27 105.19 100.45 1ugl n GLY 14 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1ugl n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ugl n LYS 15 N 0.00 -0.52 -3.83 1.61 5.02 -1.12 -0.36 118.16 118.96 1ugl n LYS 15 Ca 0.00 0.48 -0.24 0.00 -2.02 0.00 0.00 58.31 56.53 1ugl n LYS 15 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1ugl n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugl s THR 17 N -3.82 3.33 0.11 0.00 2.01 0.51 -4.81 115.64 112.97 1ugl s THR 17 Ca 0.03 0.46 -0.28 0.00 0.31 0.00 0.00 61.69 62.21 1ugl s THR 17 Cb -0.01 -2.95 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 1ugl s THR 17 CO 0.85 -0.54 1.63 0.74 -0.69 0.00 0.00 174.62 176.62 1ugl h THR 18 N -0.94 0.38 -0.27 -0.82 2.02 -1.90 0.95 112.91 112.34 1ugl h THR 18 Ca -0.44 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.82 1ugl h THR 18 Cb 1.23 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1ugl h THR 18 CO 0.52 0.00 0.47 0.25 0.37 0.00 0.00 175.52 177.13 1ugl h LEU 19 N -0.51 0.00 0.01 2.58 7.12 -1.93 0.40 115.31 122.98 1ugl h LEU 19 Ca 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1ugl h LEU 19 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1ugl h LEU 19 CO -0.15 0.00 -0.01 -0.08 -0.13 0.00 0.00 178.44 178.07 1ugl h GLU 20 N 0.00 -0.01 0.00 1.25 4.57 -1.14 0.60 114.58 119.85 1ugl h GLU 20 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1ugl h GLU 20 Cb 1.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1ugl h GLU 20 CO -0.00 0.78 -0.10 1.05 -1.18 0.00 0.00 179.01 179.55 1ugl h GLU 21 N -0.95 0.00 0.16 1.92 4.11 0.18 -1.50 114.58 118.51 1ugl h GLU 21 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 1ugl h GLU 21 Cb 0.80 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.07 1ugl h GLU 21 CO 0.00 0.10 -1.31 0.93 0.07 0.00 0.00 179.01 178.81 1ugl h GLU 22 N 0.00 0.42 -0.55 1.06 4.39 -0.32 -2.64 114.58 116.93 1ugl h GLU 22 Ca -0.00 -0.67 0.08 0.00 0.34 0.00 0.00 59.36 59.11 1ugl h GLU 22 Cb 0.29 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1ugl h GLU 22 CO 0.01 1.31 0.20 -0.22 -1.16 0.00 0.00 179.01 179.15 1ugl h LYS 23 N 0.13 0.36 -0.38 2.33 1.63 0.19 0.29 116.57 121.12 1ugl h LYS 23 Ca -0.18 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.49 1ugl h LYS 23 Cb 2.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.55 1ugl h LYS 23 CO 0.23 0.24 -0.19 0.00 -3.45 0.00 0.00 179.45 176.29 1ugl h LYS 25 N 0.61 -0.03 -0.86 0.00 6.56 -0.99 0.44 116.57 122.31 1ugl h LYS 25 Ca 0.09 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.86 1ugl h LYS 25 Cb 0.74 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.30 1ugl h LYS 25 CO 0.06 -0.02 0.40 1.79 -2.06 0.00 0.00 179.45 179.62 1ugl h THR 26 N -0.07 0.61 0.18 -0.16 1.35 -0.63 -2.79 112.91 111.40 1ugl h THR 26 Ca -0.00 -0.17 -0.34 0.00 -0.55 0.00 0.00 66.41 65.34 1ugl h THR 26 Cb 0.02 0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1ugl h THR 26 CO 0.00 0.09 -1.70 -0.07 -0.25 0.00 0.00 175.52 173.60 1ugl h LEU 27 N 0.51 0.60 -8.75 3.87 4.07 -1.55 -3.45 115.31 110.60 1ugl h LEU 27 Ca 0.50 -0.93 -0.64 0.00 0.08 0.00 0.00 57.88 56.89 1ugl h LEU 27 Cb 0.83 -0.19 -0.22 0.00 1.08 0.00 0.00 40.66 42.15 1ugl h LEU 27 CO -0.44 1.77 -0.66 -0.31 -1.08 0.00 0.00 178.44 177.72 1ugl s TYR 28 N -2.56 3.05 -0.40 1.13 2.02 0.15 -5.01 117.35 115.72 1ugl s TYR 28 Ca -0.16 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1ugl s TYR 28 Cb 0.05 -2.05 0.30 0.00 -0.40 0.00 0.00 41.96 39.86 1ugl s TYR 28 CO 0.84 -0.17 1.97 -0.35 -1.57 0.00 0.00 175.55 176.27 1ugl n PRO 29 N 4.04 2.03 -2.79 -1.71 -0.04 -1.26 -4.00 135.00 131.27 1ugl n PRO 29 Ca -0.17 -2.05 -0.40 0.00 -0.04 0.00 0.00 63.50 60.84 1ugl n PRO 29 Cb 0.52 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1ugl n PRO 29 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ugl s ARG 30 N -2.37 4.76 0.09 0.54 3.00 -1.26 -4.93 118.95 118.78 1ugl s ARG 30 Ca 0.40 1.41 0.23 0.00 -1.00 0.00 0.00 55.73 56.78 1ugl s ARG 30 Cb 0.32 -3.31 0.91 0.00 0.00 0.00 0.00 34.95 32.87 1ugl s ARG 30 CO 0.00 0.43 1.71 0.41 0.00 0.00 0.00 175.30 177.85 1ugl n GLY 31 N 1.76 -1.34 1.90 8.12 0.00 -1.26 -2.83 105.19 111.55 1ugl n GLY 31 Ca -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1ugl n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ugl n GLN 32 N -1.79 2.56 -3.84 1.61 6.02 -1.26 -5.06 117.38 115.62 1ugl n GLN 32 Ca 0.05 -3.71 -0.28 0.00 -0.01 0.00 0.00 57.00 53.05 1ugl n GLN 32 Cb 0.28 -1.84 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 1ugl n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ugl n THR 34 N -0.29 0.00 -3.77 0.00 5.66 -1.26 -4.92 114.28 109.69 1ugl n THR 34 Ca -0.05 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.62 1ugl n THR 34 Cb 0.53 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 1ugl n THR 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ugl s SER 36 N -2.04 -0.11 0.09 0.00 0.15 -0.67 -4.77 113.70 106.35 1ugl s SER 36 Ca 0.32 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.36 1ugl s SER 36 Cb -0.13 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1ugl s SER 36 CO 0.21 -0.16 -0.03 -0.62 1.20 0.00 0.00 173.24 173.83 1ugl s ASP 37 N 1.28 0.83 0.00 5.45 -1.08 -1.26 -2.27 116.67 119.62 1ugl s ASP 37 Ca -0.08 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 1ugl s ASP 37 Cb -0.11 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1ugl s ASP 37 CO -0.07 -0.55 0.00 -1.54 0.52 0.00 0.00 175.17 173.53 1ugl n SER 38 N -0.02 0.00 -2.62 -0.34 3.41 -1.26 -5.02 113.62 107.77 1ugl n SER 38 Ca -0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.46 1ugl n SER 38 Cb 0.61 -0.02 0.11 0.00 -0.26 0.00 0.00 64.21 64.66 1ugl n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ugl n LYS 39 N -1.37 1.20 -4.06 4.33 5.02 -1.26 -5.14 118.16 116.88 1ugl n LYS 39 Ca 0.00 -1.33 -0.10 0.00 -2.02 0.00 0.00 58.31 54.85 1ugl n LYS 39 Cb 0.00 0.24 -0.08 0.00 -0.02 0.00 0.00 35.03 35.17 1ugl n LYS 39 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ugl s MET 40 N 0.14 1.27 0.48 1.97 -1.94 -1.26 -5.04 119.30 114.93 1ugl s MET 40 Ca 0.13 -1.35 0.23 0.00 -1.71 0.00 0.00 55.69 52.99 1ugl s MET 40 Cb 0.40 0.36 1.25 0.00 2.01 0.00 0.00 34.83 38.84 1ugl s MET 40 CO -0.11 -0.47 2.01 -0.97 -0.01 0.00 0.00 175.02 175.47 1ugl h ASN 41 N 2.50 0.00 -3.03 3.03 -0.73 -2.00 -3.42 115.58 111.94 1ugl h ASN 41 Ca -0.31 0.00 -0.67 0.00 1.87 0.00 0.00 56.30 57.19 1ugl h ASN 41 Cb 1.24 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 39.72 1ugl h ASN 41 CO 0.47 0.17 -0.56 0.42 -0.37 0.00 0.00 177.43 177.56 1ugl s THR 42 N -4.21 4.84 0.00 -3.57 -4.23 -1.26 -1.15 115.64 106.07 1ugl s THR 42 Ca -0.03 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1ugl s THR 42 Cb 0.13 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1ugl s THR 42 CO 0.62 0.50 0.00 0.00 -0.54 0.00 0.00 174.62 175.20 1ugl n HIS 43 N 1.67 -0.45 -1.80 3.99 1.44 -0.47 -4.74 115.22 114.87 1ugl n HIS 43 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1ugl n HIS 43 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1ugl n HIS 43 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1ugl n SER 44 N -1.50 0.00 -5.02 4.39 3.41 -0.96 0.48 113.62 114.42 1ugl n SER 44 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1ugl n SER 44 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1ugl n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugl n ASP 46 N -2.25 0.65 -0.19 0.00 2.03 -0.93 -4.06 116.55 111.80 1ugl n ASP 46 Ca 0.15 -2.07 0.30 0.00 0.52 0.00 0.00 54.79 53.69 1ugl n ASP 46 Cb 0.61 -0.13 0.70 0.00 -0.72 0.00 0.00 41.12 41.59 1ugl n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ugl s LYS 48 N -4.77 0.58 -0.95 0.00 2.36 -1.26 -4.36 119.74 111.34 1ugl s LYS 48 Ca -0.04 0.10 -0.26 0.00 -2.55 0.00 0.00 55.97 53.22 1ugl s LYS 48 Cb 0.19 0.27 -0.14 0.00 -1.05 0.00 0.00 37.83 37.10 1ugl s LYS 48 CO 0.68 -0.13 2.18 0.45 1.55 0.00 0.00 175.35 180.07 1ugl s SER 49 N -0.71 4.11 0.00 1.43 0.15 -1.26 -4.71 113.70 112.71 1ugl s SER 49 Ca -0.08 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1ugl s SER 49 Cb -0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1ugl s SER 49 CO 0.03 -3.85 0.46 0.00 1.20 0.00 0.00 173.24 171.08