#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 -1.13 0.23 1.20 2.96 -1.26 -5.11 118.68 115.56 1ugl s LEU 2 Ca 0.00 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1ugl s LEU 2 Cb 0.00 2.07 0.00 0.00 0.50 0.00 0.00 46.19 48.76 1ugl s LEU 2 CO 0.00 -0.21 0.00 0.23 -1.32 0.00 0.00 176.35 175.05 1ugl n MET 3 N 5.40 -4.14 0.00 1.98 2.81 -1.26 -5.08 117.12 116.83 1ugl n MET 3 Ca -0.06 3.02 0.00 0.00 -1.81 0.00 0.00 57.70 58.85 1ugl n MET 3 Cb 0.51 -3.22 0.00 0.00 -0.71 0.00 0.00 33.22 29.80 1ugl n MET 3 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ugl n LYS 4 N 0.86 0.00 -1.29 0.03 4.01 -1.26 -5.07 118.16 115.44 1ugl n LYS 4 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 1ugl n LYS 4 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.53 1ugl n LYS 4 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ugl n ARG 5 N -0.01 0.13 -1.41 1.97 1.74 -1.26 -5.08 116.66 112.75 1ugl n ARG 5 Ca 0.00 -0.17 -0.56 0.00 -0.77 0.00 0.00 57.85 56.35 1ugl n ARG 5 Cb 0.00 0.22 -0.09 0.00 -1.02 0.00 0.00 32.46 31.56 1ugl n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ugl n THR 7 N 6.46 -1.35 -1.27 0.00 -2.24 -1.26 -4.57 114.28 110.05 1ugl n THR 7 Ca 0.45 1.01 -0.23 0.00 -2.27 0.00 0.00 64.05 63.00 1ugl n THR 7 Cb 0.09 -1.57 0.17 0.00 -2.10 0.00 0.00 70.33 66.92 1ugl n THR 7 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ugl n ARG 8 N -3.85 2.27 0.00 -0.78 1.74 -1.26 -4.65 116.66 110.13 1ugl n ARG 8 Ca -0.07 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 1ugl n ARG 8 Cb 0.59 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1ugl n ARG 8 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ugl n GLY 9 N -1.12 1.72 2.54 -0.13 0.00 -1.26 -4.86 105.19 102.08 1ugl n GLY 9 Ca 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.38 -3.12 -2.71 1.61 -0.00 -1.26 -5.03 117.46 106.57 1ugl n PHE 10 Ca 0.00 1.33 -0.08 0.00 -0.00 0.00 0.00 57.45 58.70 1ugl n PHE 10 Cb 0.00 -3.59 0.09 0.00 -0.00 0.00 0.00 39.48 35.98 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 0.21 1.16 -4.25 -4.13 -4.01 -1.26 -4.98 116.66 99.41 1ugl n ARG 11 Ca 0.04 -2.26 -0.26 0.00 -1.04 0.00 0.00 57.85 54.33 1ugl n ARG 11 Cb 0.15 -0.50 -0.08 0.00 -3.04 0.00 0.00 32.46 29.00 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 -0.76 2.31 0.05 2.89 3.01 0.14 -5.01 119.74 122.37 1ugl s LYS 12 Ca 0.24 -1.22 -0.11 0.00 -1.01 0.00 0.00 55.97 53.87 1ugl s LYS 12 Cb 0.40 -2.27 0.01 0.00 -1.01 0.00 0.00 37.83 34.97 1ugl s LYS 12 CO -0.05 0.43 0.25 -0.48 0.51 0.00 0.00 175.35 176.00 1ugl s LEU 13 N -3.12 1.13 0.00 3.17 2.34 -1.26 -0.86 118.68 120.09 1ugl s LEU 13 Ca 0.28 -0.32 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1ugl s LEU 13 Cb -0.08 1.16 0.00 0.00 -0.56 0.00 0.00 46.19 46.71 1ugl s LEU 13 CO 0.18 -0.61 0.00 0.61 -1.06 0.00 0.00 176.35 175.47 1ugl n GLY 14 N 0.54 0.89 0.40 -3.48 0.00 -0.29 -4.29 105.19 98.97 1ugl n GLY 14 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.20 0.00 -3.53 1.61 5.02 -1.18 0.25 118.16 120.13 1ugl n LYS 15 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1ugl n LYS 15 Cb 0.07 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.12 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 -3.35 4.66 0.00 0.00 2.01 0.14 -4.89 115.64 114.20 1ugl s THR 17 Ca 0.37 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.30 1ugl s THR 17 Cb -0.11 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1ugl s THR 17 CO 0.83 -0.76 1.00 0.41 -0.69 0.00 0.00 174.62 175.40 1ugl n THR 18 N -1.81 0.00 -0.04 -0.82 -1.04 -1.26 -1.11 114.28 108.19 1ugl n THR 18 Ca 0.05 1.50 0.22 0.00 -2.04 0.00 0.00 64.05 63.77 1ugl n THR 18 Cb 0.54 -2.34 0.46 0.00 -1.82 0.00 0.00 70.33 67.17 1ugl n THR 18 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ugl h LEU 19 N 0.00 0.00 0.12 -4.42 7.12 -1.95 0.29 115.31 116.47 1ugl h LEU 19 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1ugl h LEU 19 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ugl h LEU 19 CO 0.00 0.00 -0.06 -0.08 -0.13 0.00 0.00 178.44 178.17 1ugl h GLU 20 N 0.00 -0.16 -0.55 1.25 4.22 -1.54 0.18 114.58 117.98 1ugl h GLU 20 Ca 0.33 0.01 0.16 0.00 0.08 0.00 0.00 59.36 59.94 1ugl h GLU 20 Cb 2.30 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.56 1ugl h GLU 20 CO -0.00 -0.11 0.44 1.05 -2.18 0.00 0.00 179.01 178.21 1ugl h GLU 21 N -0.67 0.00 0.09 1.92 4.11 0.67 0.31 114.58 121.02 1ugl h GLU 21 Ca -0.02 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.12 1ugl h GLU 21 Cb 0.13 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.40 1ugl h GLU 21 CO 0.03 0.00 -1.20 0.93 0.07 0.00 0.00 179.01 178.83 1ugl h GLU 22 N 0.00 0.64 -0.69 1.06 4.39 -0.60 -2.52 114.58 116.86 1ugl h GLU 22 Ca 0.26 -0.81 0.12 0.00 0.34 0.00 0.00 59.36 59.27 1ugl h GLU 22 Cb 1.13 0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 1ugl h GLU 22 CO -0.00 1.37 0.25 -0.22 -1.16 0.00 0.00 179.01 179.24 1ugl h LYS 23 N 0.30 0.39 -0.26 2.33 1.63 0.27 0.33 116.57 121.56 1ugl h LYS 23 Ca -0.18 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.45 1ugl h LYS 23 Cb 1.87 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.41 1ugl h LYS 23 CO 0.23 0.26 -0.44 0.00 -3.45 0.00 0.00 179.45 176.04 1ugl h LYS 25 N 0.53 -0.05 -0.89 0.00 6.56 -0.66 0.46 116.57 122.52 1ugl h LYS 25 Ca 0.04 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.81 1ugl h LYS 25 Cb 0.98 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.55 1ugl h LYS 25 CO 0.09 -0.04 0.46 1.79 -2.06 0.00 0.00 179.45 179.69 1ugl h THR 26 N -0.18 0.64 0.18 -0.16 1.35 -0.59 -2.69 112.91 111.47 1ugl h THR 26 Ca -0.01 -0.20 -0.35 0.00 -0.55 0.00 0.00 66.41 65.31 1ugl h THR 26 Cb 0.04 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 66.49 1ugl h THR 26 CO 0.01 0.11 -1.73 -0.07 -0.25 0.00 0.00 175.52 173.59 1ugl h LEU 27 N 0.58 0.61 -7.76 3.87 4.07 -1.59 -3.43 115.31 111.66 1ugl h LEU 27 Ca 0.52 -0.94 -0.70 0.00 0.08 0.00 0.00 57.88 56.84 1ugl h LEU 27 Cb 0.84 -0.20 -0.34 0.00 1.08 0.00 0.00 40.66 42.04 1ugl h LEU 27 CO -0.42 1.78 -0.45 -0.31 -1.08 0.00 0.00 178.44 177.96 1ugl s TYR 28 N -2.57 3.51 -1.13 1.13 2.02 0.15 -5.01 117.35 115.45 1ugl s TYR 28 Ca -0.16 -2.43 -0.19 0.00 -0.37 0.00 0.00 57.07 53.92 1ugl s TYR 28 Cb 0.05 -3.27 -0.05 0.00 -0.40 0.00 0.00 41.96 38.29 1ugl s TYR 28 CO 0.85 -0.93 2.00 -0.35 -1.57 0.00 0.00 175.55 175.54 1ugl n PRO 29 N 4.26 2.19 -3.78 -1.71 -0.04 -1.21 -4.16 135.00 130.55 1ugl n PRO 29 Ca 0.01 -2.38 -0.23 0.00 -0.04 0.00 0.00 63.50 60.85 1ugl n PRO 29 Cb 0.40 -3.24 -0.03 0.00 -0.04 0.00 0.00 33.50 30.59 1ugl n PRO 29 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ugl n ARG 30 N 7.09 0.97 -0.04 0.54 5.12 -1.26 -5.07 116.66 124.00 1ugl n ARG 30 Ca 0.50 -2.81 -0.05 0.00 -1.93 0.00 0.00 57.85 53.56 1ugl n ARG 30 Cb 0.42 0.58 -0.06 0.00 -1.16 0.00 0.00 32.46 32.24 1ugl n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ugl n GLY 31 N 0.09 -0.30 1.44 -0.13 0.00 -1.26 -4.53 105.19 100.49 1ugl n GLY 31 Ca -0.11 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.44 3.20 -3.95 1.61 1.13 -1.26 -4.92 117.38 110.74 1ugl n GLN 32 Ca -0.14 -2.64 -0.33 0.00 -1.94 0.00 0.00 57.00 51.96 1ugl n GLN 32 Cb 0.73 -1.74 -0.05 0.00 0.11 0.00 0.00 30.24 29.29 1ugl n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ugl n THR 34 N 0.82 0.00 -3.62 0.00 5.66 -1.26 -4.90 114.28 110.98 1ugl n THR 34 Ca -0.10 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.54 1ugl n THR 34 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.07 1.05 0.14 0.00 0.15 -0.60 -4.87 113.70 109.50 1ugl s SER 36 Ca 0.16 0.14 0.06 0.00 0.70 0.00 0.00 55.95 57.02 1ugl s SER 36 Cb -0.13 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1ugl s SER 36 CO 0.05 -0.26 -0.14 -0.62 1.20 0.00 0.00 173.24 173.47 1ugl s ASP 37 N 2.23 2.07 0.00 5.45 2.15 -1.26 -2.18 116.67 125.13 1ugl s ASP 37 Ca 0.04 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.14 1ugl s ASP 37 Cb -0.12 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 1ugl s ASP 37 CO -0.05 -0.18 0.00 -1.20 -0.17 0.00 0.00 175.17 173.57 1ugl n SER 38 N 0.26 0.00 -2.00 -0.34 7.64 -1.26 -5.01 113.62 112.92 1ugl n SER 38 Ca -0.13 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.73 1ugl n SER 38 Cb 0.58 -0.17 0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1ugl n SER 38 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ugl n LYS 39 N -1.83 0.68 -2.66 1.43 4.81 -1.26 -5.15 118.16 114.18 1ugl n LYS 39 Ca 0.00 -0.67 -0.06 0.00 -0.87 0.00 0.00 58.31 56.72 1ugl n LYS 39 Cb 0.00 0.27 -0.02 0.00 0.02 0.00 0.00 35.03 35.30 1ugl n LYS 39 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1ugl n MET 40 N -0.77 0.15 0.09 1.64 2.81 -1.26 -5.05 117.12 114.72 1ugl n MET 40 Ca -0.11 -0.98 -0.03 0.00 -1.81 0.00 0.00 57.70 54.77 1ugl n MET 40 Cb 0.69 0.79 -0.06 0.00 -0.71 0.00 0.00 33.22 33.93 1ugl n MET 40 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1ugl h ASN 41 N 0.60 0.00 -2.96 7.83 -1.24 -2.00 -3.42 115.58 114.39 1ugl h ASN 41 Ca -0.07 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.27 1ugl h ASN 41 Cb 0.35 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.30 1ugl h ASN 41 CO 0.10 0.80 -0.55 0.42 -1.29 0.00 0.00 177.43 176.92 1ugl s THR 42 N -2.81 4.96 0.08 -3.57 -4.23 -1.26 -1.14 115.64 107.67 1ugl s THR 42 Ca 0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1ugl s THR 42 Cb 0.09 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1ugl s THR 42 CO 0.79 0.59 0.12 0.00 -0.54 0.00 0.00 174.62 175.58 1ugl n HIS 43 N 1.96 -0.79 -0.41 3.99 1.44 -0.04 -4.72 115.22 116.64 1ugl n HIS 43 Ca -0.19 -0.50 0.00 0.00 -2.01 0.00 0.00 57.72 55.02 1ugl n HIS 43 Cb 0.54 0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.79 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 -1.83 2.42 -4.89 4.39 3.41 -0.93 0.26 113.62 116.45 1ugl n SER 44 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1ugl n SER 44 Cb 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.70 -0.03 0.18 0.00 2.03 -1.26 -4.39 116.55 111.38 1ugl n ASP 46 Ca -0.04 -2.13 0.17 0.00 0.52 0.00 0.00 54.79 53.31 1ugl n ASP 46 Cb 0.65 0.14 0.80 0.00 -0.72 0.00 0.00 41.12 41.98 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 -4.70 0.85 -1.00 0.00 2.20 -1.26 -4.41 119.74 111.42 1ugl s LYS 48 Ca -0.05 -1.01 -0.24 0.00 -0.36 0.00 0.00 55.97 54.32 1ugl s LYS 48 Cb 0.16 -0.83 -0.15 0.00 -1.51 0.00 0.00 37.83 35.49 1ugl s LYS 48 CO 0.57 0.18 1.94 0.45 -0.36 0.00 0.00 175.35 178.13 1ugl n SER 49 N 1.14 2.48 -0.10 1.43 2.88 -1.26 -4.82 113.62 115.38 1ugl n SER 49 Ca -0.20 -2.64 0.01 0.00 -1.33 0.00 0.00 58.87 54.71 1ugl n SER 49 Cb 0.55 -1.52 0.01 0.00 -0.75 0.00 0.00 64.21 62.49 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81