#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 4.22 0.20 3.41 2.01 -1.26 -5.01 118.68 122.26 1ugl s LEU 2 Ca 0.00 0.08 0.00 0.00 0.01 0.00 0.00 54.13 54.22 1ugl s LEU 2 Cb 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 46.19 43.30 1ugl s LEU 2 CO 0.00 -0.16 0.00 0.80 1.01 0.00 0.00 176.35 178.00 1ugl n MET 3 N -1.50 0.00 -2.48 1.70 1.56 -1.26 -5.16 117.12 109.99 1ugl n MET 3 Ca -0.07 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.31 1ugl n MET 3 Cb 0.57 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.93 1ugl n MET 3 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1ugl n LYS 4 N -3.00 0.77 -3.20 2.12 -0.00 -1.26 -5.15 118.16 108.44 1ugl n LYS 4 Ca 0.00 -0.69 -0.00 0.00 -0.00 0.00 0.00 58.31 57.61 1ugl n LYS 4 Cb 0.00 0.40 -0.02 0.00 -0.00 0.00 0.00 35.03 35.41 1ugl n LYS 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1ugl s ARG 5 N -2.31 0.56 0.30 -1.58 1.70 -1.26 -4.88 118.95 111.48 1ugl s ARG 5 Ca 0.05 0.29 -0.28 0.00 -0.47 0.00 0.00 55.73 55.31 1ugl s ARG 5 Cb 0.00 0.05 -0.14 0.00 -0.57 0.00 0.00 34.95 34.30 1ugl s ARG 5 CO 0.03 -1.07 1.08 0.00 -1.08 0.00 0.00 175.30 174.26 1ugl n THR 7 N 0.27 0.00 -2.48 0.00 -2.24 -1.25 -4.70 114.28 103.89 1ugl n THR 7 Ca 0.09 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1ugl n THR 7 Cb 0.33 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1ugl n THR 7 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1ugl n ARG 8 N -1.68 0.42 0.00 -0.78 1.85 -1.26 -4.87 116.66 110.34 1ugl n ARG 8 Ca 0.00 -2.03 0.00 0.00 -1.00 0.00 0.00 57.85 54.82 1ugl n ARG 8 Cb 0.10 -0.17 0.00 0.00 -1.05 0.00 0.00 32.46 31.33 1ugl n ARG 8 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ugl n GLY 9 N 0.05 0.73 2.87 2.89 0.00 -1.26 -4.90 105.19 105.57 1ugl n GLY 9 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -3.33 -2.71 1.61 -0.00 -1.26 -5.01 117.46 106.75 1ugl n PHE 10 Ca 0.00 1.42 -0.08 0.00 -0.00 0.00 0.00 57.45 58.79 1ugl n PHE 10 Cb 0.00 -3.57 0.09 0.00 -0.00 0.00 0.00 39.48 36.00 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 0.36 1.16 -4.24 -4.13 -4.01 -1.26 -4.98 116.66 99.56 1ugl n ARG 11 Ca 0.03 -2.23 -0.23 0.00 -1.04 0.00 0.00 57.85 54.38 1ugl n ARG 11 Cb 0.26 -0.50 -0.07 0.00 -3.04 0.00 0.00 32.46 29.12 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 -0.68 2.45 0.06 2.89 3.01 0.16 -5.01 119.74 122.62 1ugl s LYS 12 Ca 0.24 -1.28 -0.14 0.00 -1.01 0.00 0.00 55.97 53.77 1ugl s LYS 12 Cb 0.40 -2.28 0.02 0.00 -1.01 0.00 0.00 37.83 34.96 1ugl s LYS 12 CO -0.05 0.39 0.32 -0.48 0.51 0.00 0.00 175.35 176.04 1ugl s LEU 13 N -3.58 0.79 0.00 3.17 0.05 -1.26 -1.12 118.68 116.74 1ugl s LEU 13 Ca 0.31 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.24 1ugl s LEU 13 Cb -0.07 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 45.53 1ugl s LEU 13 CO 0.21 -0.68 0.00 0.61 -0.55 0.00 0.00 176.35 175.94 1ugl n GLY 14 N 0.33 0.59 1.76 -3.48 0.00 -0.43 -4.25 105.19 99.70 1ugl n GLY 14 Ca -0.18 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.53 -3.84 1.61 4.76 -1.20 -0.15 118.16 118.82 1ugl n LYS 15 Ca 0.00 0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 55.62 1ugl n LYS 15 Cb 0.00 -0.60 0.01 0.00 -1.84 0.00 0.00 35.03 32.60 1ugl n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ugl s THR 17 N -3.79 3.34 0.17 0.00 2.01 0.79 -4.82 115.64 113.34 1ugl s THR 17 Ca 0.10 0.77 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 1ugl s THR 17 Cb -0.04 -3.29 0.10 0.00 0.01 0.00 0.00 72.50 69.29 1ugl s THR 17 CO 0.87 -0.24 1.64 0.74 -0.69 0.00 0.00 174.62 176.94 1ugl h THR 18 N 0.95 0.46 -0.80 -0.82 2.02 -1.91 0.61 112.91 113.43 1ugl h THR 18 Ca -0.49 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.87 1ugl h THR 18 Cb 1.25 0.46 -0.12 0.00 -1.74 0.00 0.00 68.15 68.01 1ugl h THR 18 CO 0.57 0.00 0.25 0.25 0.37 0.00 0.00 175.52 176.96 1ugl h LEU 19 N -0.09 0.12 -0.36 2.58 6.46 -1.92 0.49 115.31 122.59 1ugl h LEU 19 Ca 0.20 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1ugl h LEU 19 Cb 0.39 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1ugl h LEU 19 CO -0.47 -0.03 0.04 1.05 -0.62 0.00 0.00 178.44 178.42 1ugl h GLU 20 N 0.32 0.60 0.00 1.25 -0.00 -1.23 0.29 114.58 115.81 1ugl h GLU 20 Ca 0.47 -0.17 -0.03 0.00 -0.00 0.00 0.00 59.36 59.63 1ugl h GLU 20 Cb 0.83 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.51 1ugl h GLU 20 CO -0.52 0.69 -0.12 1.05 -0.00 0.00 0.00 179.01 180.11 1ugl h GLU 21 N 0.43 0.00 0.22 1.06 4.11 0.78 -2.40 114.58 118.78 1ugl h GLU 21 Ca 0.11 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.24 1ugl h GLU 21 Cb 0.39 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.68 1ugl h GLU 21 CO 0.01 0.12 -1.33 0.93 0.07 0.00 0.00 179.01 178.81 1ugl h GLU 22 N 0.00 0.47 -0.51 1.06 4.39 0.37 -2.56 114.58 117.80 1ugl h GLU 22 Ca -0.00 -0.80 0.10 0.00 0.34 0.00 0.00 59.36 59.00 1ugl h GLU 22 Cb 0.47 0.30 -0.09 0.00 -0.10 0.00 0.00 28.75 29.32 1ugl h GLU 22 CO 0.02 1.38 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.96 1ugl h LYS 23 N -0.00 0.04 -0.32 2.33 1.63 0.06 0.18 116.57 120.49 1ugl h LYS 23 Ca -0.24 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.50 1ugl h LYS 23 Cb 2.02 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.63 1ugl h LYS 23 CO 0.23 0.03 -0.04 0.00 -3.45 0.00 0.00 179.45 176.22 1ugl n LYS 25 N -4.50 0.00 -0.34 0.00 3.00 -0.58 0.04 118.16 115.78 1ugl n LYS 25 Ca -0.03 0.40 0.20 0.00 -0.00 0.00 0.00 58.31 58.88 1ugl n LYS 25 Cb 0.30 -1.37 0.44 0.00 0.00 0.00 0.00 35.03 34.40 1ugl n LYS 25 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1ugl h THR 26 N 0.00 0.52 0.05 3.15 1.35 -0.84 0.16 112.91 117.30 1ugl h THR 26 Ca 0.00 -0.17 -0.23 0.00 -0.55 0.00 0.00 66.41 65.46 1ugl h THR 26 Cb 0.00 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.40 1ugl h THR 26 CO 0.00 0.09 -1.03 -0.07 -0.25 0.00 0.00 175.52 174.26 1ugl h LEU 27 N 0.49 0.34 -7.01 3.87 4.07 -1.48 -3.43 115.31 112.16 1ugl h LEU 27 Ca 0.63 -0.31 -0.43 0.00 0.08 0.00 0.00 57.88 57.84 1ugl h LEU 27 Cb 1.38 -0.11 -0.40 0.00 1.08 0.00 0.00 40.66 42.61 1ugl h LEU 27 CO -0.40 1.17 -0.73 -0.31 -1.08 0.00 0.00 178.44 177.09 1ugl s TYR 28 N -2.98 0.11 0.00 1.13 2.02 0.11 -5.03 117.35 112.70 1ugl s TYR 28 Ca -0.03 -0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1ugl s TYR 28 Cb 0.09 -0.63 -0.18 0.00 -0.40 0.00 0.00 41.96 40.83 1ugl s TYR 28 CO 0.85 -0.52 3.07 -0.35 -1.57 0.00 0.00 175.55 177.03 1ugl n PRO 29 N 5.29 1.66 -1.65 -1.71 -0.04 -1.16 -4.06 135.00 133.32 1ugl n PRO 29 Ca -0.07 -0.68 -0.23 0.00 -0.04 0.00 0.00 63.50 62.48 1ugl n PRO 29 Cb 0.49 -1.70 0.16 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.22 -0.89 -0.00 0.54 3.00 -1.26 -5.01 116.66 115.25 1ugl n ARG 30 Ca 0.29 -1.76 0.07 0.00 -0.01 0.00 0.00 57.85 56.44 1ugl n ARG 30 Cb 0.77 -1.03 -0.09 0.00 0.00 0.00 0.00 32.46 32.11 1ugl n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ugl n GLY 31 N -1.96 -0.48 0.11 -0.13 0.00 -1.26 -4.41 105.19 97.05 1ugl n GLY 31 Ca 0.14 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.45 1.25 -2.81 1.61 3.00 -1.26 -4.87 117.38 112.85 1ugl n GLN 32 Ca 0.02 -1.37 -0.42 0.00 -0.01 0.00 0.00 57.00 55.22 1ugl n GLN 32 Cb 0.26 -0.88 0.01 0.00 0.00 0.00 0.00 30.24 29.64 1ugl n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ugl n THR 34 N 0.66 0.00 -3.65 0.00 5.66 -1.26 -3.67 114.28 112.02 1ugl n THR 34 Ca 0.36 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 61.01 1ugl n THR 34 Cb 0.30 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.00 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 0.48 1.35 0.14 0.00 0.01 -0.86 -4.95 113.70 109.87 1ugl s SER 36 Ca 0.11 -0.07 0.10 0.00 1.31 0.00 0.00 55.95 57.40 1ugl s SER 36 Cb -0.12 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 1ugl s SER 36 CO 0.01 -0.17 -0.25 -0.62 0.41 0.00 0.00 173.24 172.62 1ugl s ASP 37 N 1.74 3.14 -0.32 2.44 2.15 -1.26 -2.25 116.67 122.30 1ugl s ASP 37 Ca 0.01 -0.76 0.10 0.00 0.43 0.00 0.00 52.55 52.33 1ugl s ASP 37 Cb -0.13 -0.21 0.76 0.00 -0.30 0.00 0.00 42.92 43.05 1ugl s ASP 37 CO -0.04 0.13 1.82 -0.24 -0.17 0.00 0.00 175.17 176.67 1ugl n SER 38 N 0.81 4.93 -1.32 -0.34 2.88 -1.26 -4.86 113.62 114.46 1ugl n SER 38 Ca -0.17 -3.20 -0.06 0.00 -1.33 0.00 0.00 58.87 54.10 1ugl n SER 38 Cb 0.54 -0.75 0.02 0.00 -0.75 0.00 0.00 64.21 63.27 1ugl n SER 38 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ugl n LYS 39 N -0.09 -2.03 -4.26 -1.46 4.01 -1.26 -5.06 118.16 108.01 1ugl n LYS 39 Ca 0.41 0.21 -0.15 0.00 -0.51 0.00 0.00 58.31 58.27 1ugl n LYS 39 Cb 1.39 -3.37 -0.10 0.00 -0.51 0.00 0.00 35.03 32.45 1ugl n LYS 39 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1ugl s MET 40 N -5.27 1.41 0.37 1.97 -1.94 -1.26 -5.04 119.30 109.54 1ugl s MET 40 Ca 0.14 -1.78 0.08 0.00 -1.71 0.00 0.00 55.69 52.43 1ugl s MET 40 Cb -0.06 0.13 0.72 0.00 2.01 0.00 0.00 34.83 37.62 1ugl s MET 40 CO 0.19 -0.44 1.89 -0.97 -0.01 0.00 0.00 175.02 175.68 1ugl h ASN 41 N 2.42 0.28 -3.45 3.03 -1.24 -1.98 -3.39 115.58 111.25 1ugl h ASN 41 Ca -0.34 -0.06 -0.68 0.00 0.71 0.00 0.00 56.30 55.93 1ugl h ASN 41 Cb 1.25 -0.07 -0.16 0.00 0.73 0.00 0.00 38.32 40.06 1ugl h ASN 41 CO 0.51 0.44 -0.66 0.42 -1.29 0.00 0.00 177.43 176.85 1ugl s THR 42 N -4.72 4.04 0.06 -3.57 -4.23 -1.26 -1.32 115.64 104.64 1ugl s THR 42 Ca -0.06 -0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1ugl s THR 42 Cb 0.15 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1ugl s THR 42 CO 0.74 0.51 0.09 0.00 -0.54 0.00 0.00 174.62 175.42 1ugl n HIS 43 N 1.86 -0.74 -0.64 3.99 1.44 -0.27 -4.56 115.22 116.29 1ugl n HIS 43 Ca -0.17 -0.35 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 1ugl n HIS 43 Cb 0.53 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.74 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 -1.82 1.79 -4.99 4.39 3.41 -0.96 0.36 113.62 115.80 1ugl n SER 44 Ca -0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1ugl n SER 44 Cb 0.09 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.08 0.00 0.27 0.00 2.03 -1.26 -3.92 116.55 111.60 1ugl n ASP 46 Ca 0.10 -2.09 0.18 0.00 0.52 0.00 0.00 54.79 53.50 1ugl n ASP 46 Cb 0.62 0.09 0.94 0.00 -0.72 0.00 0.00 41.12 42.05 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 -4.45 1.13 -0.78 0.00 2.36 -1.26 -4.61 119.74 112.13 1ugl s LYS 48 Ca -0.05 -0.35 -0.24 0.00 -2.55 0.00 0.00 55.97 52.79 1ugl s LYS 48 Cb 0.14 -1.03 -0.18 0.00 -1.05 0.00 0.00 37.83 35.71 1ugl s LYS 48 CO 0.48 0.12 2.42 0.45 1.55 0.00 0.00 175.35 180.37 1ugl n SER 49 N 3.33 1.00 0.00 1.43 2.88 -1.26 -4.44 113.62 116.56 1ugl n SER 49 Ca -0.19 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1ugl n SER 49 Cb 0.54 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81