#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugl n LEU 2 N 0.00 -0.83 -2.81 3.41 4.32 -1.26 -4.99 117.00 114.84 1ugl n LEU 2 Ca 0.00 1.92 -0.02 0.00 -0.02 0.00 0.00 56.01 57.90 1ugl n LEU 2 Cb 0.00 -3.65 0.00 0.00 -1.62 0.00 0.00 43.42 38.15 1ugl n LEU 2 CO 0.00 -2.41 -0.43 0.23 -1.22 0.00 0.00 177.39 173.56 1ugl n MET 3 N -4.11 -2.97 0.00 3.23 2.81 -1.26 -5.05 117.12 109.78 1ugl n MET 3 Ca -0.05 2.46 0.00 0.00 -1.81 0.00 0.00 57.70 58.30 1ugl n MET 3 Cb 0.60 -4.84 0.00 0.00 -0.71 0.00 0.00 33.22 28.27 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 0.64 0.00 -0.86 0.03 4.01 -1.26 -5.06 118.16 115.67 1ugl n LYS 4 Ca 0.01 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.80 1ugl n LYS 4 Cb 0.13 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.64 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 -0.22 0.06 -1.56 1.97 1.74 -1.26 -5.08 116.66 112.30 1ugl n ARG 5 Ca 0.00 -0.23 -0.58 0.00 -0.77 0.00 0.00 57.85 56.27 1ugl n ARG 5 Cb 0.00 0.41 -0.09 0.00 -1.02 0.00 0.00 32.46 31.77 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 5.50 -0.81 -1.39 0.00 -2.24 -1.26 -4.61 114.28 109.48 1ugl n THR 7 Ca 0.36 0.86 -0.14 0.00 -2.27 0.00 0.00 64.05 62.86 1ugl n THR 7 Cb 0.09 -1.31 0.18 0.00 -2.10 0.00 0.00 70.33 67.19 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 -4.28 2.07 0.00 -0.78 1.74 -1.26 -4.71 116.66 109.44 1ugl n ARG 8 Ca -0.08 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 1ugl n ARG 8 Cb 0.65 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.81 2.57 -0.13 0.00 -1.26 -4.88 105.19 102.18 1ugl n GLY 9 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.27 -3.61 -2.71 1.61 -0.00 -1.26 -5.04 117.46 106.18 1ugl n PHE 10 Ca 0.00 1.63 -0.08 0.00 -0.00 0.00 0.00 57.45 59.00 1ugl n PHE 10 Cb 0.00 -3.74 0.11 0.00 -0.00 0.00 0.00 39.48 35.84 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 0.68 1.13 -4.32 -4.13 -4.01 -1.26 -5.00 116.66 99.76 1ugl n ARG 11 Ca -0.02 -1.87 -0.24 0.00 -1.04 0.00 0.00 57.85 54.67 1ugl n ARG 11 Cb 0.04 -0.42 -0.08 0.00 -3.04 0.00 0.00 32.46 28.95 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 0.20 2.14 0.06 2.89 3.01 0.15 -5.01 119.74 123.19 1ugl s LYS 12 Ca 0.22 -1.43 -0.14 0.00 -1.01 0.00 0.00 55.97 53.62 1ugl s LYS 12 Cb 0.36 -2.10 0.02 0.00 -1.01 0.00 0.00 37.83 35.09 1ugl s LYS 12 CO -0.07 0.38 0.31 -0.48 0.51 0.00 0.00 175.35 175.99 1ugl s LEU 13 N -3.41 0.86 0.00 3.17 0.05 -1.26 -0.88 118.68 117.20 1ugl s LEU 13 Ca 0.29 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.22 1ugl s LEU 13 Cb -0.07 1.40 0.00 0.00 -2.05 0.00 0.00 46.19 45.47 1ugl s LEU 13 CO 0.18 -0.66 0.00 0.61 -0.55 0.00 0.00 176.35 175.93 1ugl n GLY 14 N 0.40 0.53 2.03 -3.48 0.00 -0.03 -4.24 105.19 100.40 1ugl n GLY 14 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.66 -3.87 1.61 5.02 -1.23 -0.47 118.16 118.56 1ugl n LYS 15 Ca 0.00 0.56 -0.25 0.00 -2.02 0.00 0.00 58.31 56.60 1ugl n LYS 15 Cb 0.00 -0.78 -0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 -3.85 2.97 0.13 0.00 2.01 0.38 -4.80 115.64 112.49 1ugl s THR 17 Ca 0.06 0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1ugl s THR 17 Cb -0.02 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1ugl s THR 17 CO 0.87 -0.27 1.67 0.74 -0.69 0.00 0.00 174.62 176.94 1ugl h THR 18 N -0.05 0.60 -0.29 -0.82 2.02 -1.90 0.16 112.91 112.63 1ugl h THR 18 Ca -0.47 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.79 1ugl h THR 18 Cb 1.26 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1ugl h THR 18 CO 0.53 0.00 0.33 0.25 0.37 0.00 0.00 175.52 177.00 1ugl h LEU 19 N -0.18 0.00 0.06 2.58 7.12 -1.92 0.47 115.31 123.44 1ugl h LEU 19 Ca 0.10 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.98 1ugl h LEU 19 Cb 0.32 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1ugl h LEU 19 CO -0.24 0.00 -0.54 1.05 -0.13 0.00 0.00 178.44 178.58 1ugl h GLU 20 N 0.00 0.25 0.00 1.25 -0.00 -1.03 -0.23 114.58 114.82 1ugl h GLU 20 Ca 0.14 -0.36 -0.05 0.00 -0.00 0.00 0.00 59.36 59.09 1ugl h GLU 20 Cb 0.79 0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 29.66 1ugl h GLU 20 CO -0.00 1.11 -0.23 1.05 -0.00 0.00 0.00 179.01 180.94 1ugl h GLU 21 N -0.43 0.00 0.08 1.06 4.11 0.59 -2.15 114.58 117.83 1ugl h GLU 21 Ca -0.08 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.09 1ugl h GLU 21 Cb 1.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.61 1ugl h GLU 21 CO 0.10 0.23 -1.13 0.93 0.07 0.00 0.00 179.01 179.21 1ugl h GLU 22 N 0.00 0.39 -0.33 1.06 4.39 -0.16 -2.30 114.58 117.63 1ugl h GLU 22 Ca -0.00 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.21 1ugl h GLU 22 Cb 0.57 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1ugl h GLU 22 CO 0.03 1.20 0.10 -0.22 -1.16 0.00 0.00 179.01 178.96 1ugl h LYS 23 N 0.17 0.22 -0.16 2.33 1.63 -0.39 0.28 116.57 120.66 1ugl h LYS 23 Ca -0.12 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.55 1ugl h LYS 23 Cb 1.81 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.37 1ugl h LYS 23 CO 0.19 0.15 -0.41 0.00 -3.45 0.00 0.00 179.45 175.93 1ugl h LYS 25 N 0.30 0.00 -0.97 0.00 6.56 -0.80 -1.55 116.57 120.12 1ugl h LYS 25 Ca 0.03 0.00 0.19 0.00 -1.06 0.00 0.00 60.65 59.81 1ugl h LYS 25 Cb 0.86 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.41 1ugl h LYS 25 CO 0.07 0.00 0.56 1.79 -2.06 0.00 0.00 179.45 179.81 1ugl h THR 26 N -0.09 0.66 0.17 -0.16 1.35 -0.62 -2.51 112.91 111.72 1ugl h THR 26 Ca 0.00 -0.23 -0.34 0.00 -0.55 0.00 0.00 66.41 65.28 1ugl h THR 26 Cb 0.00 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.35 1ugl h THR 26 CO 0.00 0.12 -1.73 -0.07 -0.25 0.00 0.00 175.52 173.60 1ugl h LEU 27 N 0.68 0.55 -8.15 3.87 4.07 -1.56 -3.44 115.31 111.33 1ugl h LEU 27 Ca 0.57 -0.84 -0.68 0.00 0.08 0.00 0.00 57.88 57.00 1ugl h LEU 27 Cb 0.92 -0.18 -0.31 0.00 1.08 0.00 0.00 40.66 42.17 1ugl h LEU 27 CO -0.41 1.71 -0.69 -0.31 -1.08 0.00 0.00 178.44 177.67 1ugl s TYR 28 N -2.59 3.19 -1.45 1.13 2.02 -0.58 -5.02 117.35 114.05 1ugl s TYR 28 Ca -0.15 -1.58 -0.12 0.00 -0.37 0.00 0.00 57.07 54.86 1ugl s TYR 28 Cb 0.06 -2.14 0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1ugl s TYR 28 CO 0.85 -0.74 2.32 -0.35 -1.57 0.00 0.00 175.55 176.06 1ugl n PRO 29 N 4.70 3.28 -3.74 -1.71 -0.04 -1.25 -4.07 135.00 132.17 1ugl n PRO 29 Ca -0.14 -2.76 -0.22 0.00 -0.04 0.00 0.00 63.50 60.34 1ugl n PRO 29 Cb 0.45 -3.08 -0.04 0.00 -0.04 0.00 0.00 33.50 30.79 1ugl n PRO 29 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ugl s ARG 30 N 2.17 2.45 -0.02 0.54 1.81 -1.26 -5.04 118.95 119.59 1ugl s ARG 30 Ca 0.50 -1.62 0.13 0.00 -1.72 0.00 0.00 55.73 53.03 1ugl s ARG 30 Cb 0.14 -2.26 -0.20 0.00 -0.45 0.00 0.00 34.95 32.18 1ugl s ARG 30 CO -0.07 -0.15 0.29 0.41 -0.68 0.00 0.00 175.30 175.10 1ugl n GLY 31 N -1.44 -0.57 0.66 -3.53 0.00 -1.26 -4.42 105.19 94.63 1ugl n GLY 31 Ca 0.02 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 2.78 -3.91 1.61 6.02 -1.26 -5.00 117.38 115.70 1ugl n GLN 32 Ca -0.02 -2.43 -0.30 0.00 -0.01 0.00 0.00 57.00 54.24 1ugl n GLN 32 Cb 0.33 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 30.01 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 0.14 0.00 -3.62 0.00 5.66 -1.26 -4.90 114.28 110.31 1ugl n THR 34 Ca -0.05 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.59 1ugl n THR 34 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.50 0.99 0.10 0.00 1.04 -0.70 -4.95 113.70 110.68 1ugl s SER 36 Ca 0.12 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1ugl s SER 36 Cb -0.12 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1ugl s SER 36 CO 0.02 -0.14 -0.07 -0.62 0.98 0.00 0.00 173.24 173.40 1ugl s ASP 37 N 1.43 1.24 0.00 7.02 2.15 -1.26 -2.29 116.67 124.96 1ugl s ASP 37 Ca -0.04 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 51.97 1ugl s ASP 37 Cb -0.13 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.56 1ugl s ASP 37 CO -0.03 -0.42 0.00 -1.20 -0.17 0.00 0.00 175.17 173.35 1ugl n SER 38 N 0.03 0.00 -2.32 -0.34 7.64 -1.26 -5.00 113.62 112.37 1ugl n SER 38 Ca -0.13 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.73 1ugl n SER 38 Cb 0.60 -0.27 0.06 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.04 0.72 -1.77 1.43 4.81 -1.26 -5.15 118.16 114.90 1ugl n LYS 39 Ca 0.00 -0.86 0.00 0.00 -0.87 0.00 0.00 58.31 56.58 1ugl n LYS 39 Cb 0.00 0.15 0.00 0.00 0.02 0.00 0.00 35.03 35.20 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 -0.76 0.03 0.11 1.64 2.81 -1.26 -5.05 117.12 114.63 1ugl n MET 40 Ca -0.12 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.89 1ugl n MET 40 Cb 0.72 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.31 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 0.00 0.00 -4.06 7.83 -0.73 -2.00 -3.40 115.58 113.22 1ugl h ASN 41 Ca 0.00 -0.07 -0.69 0.00 1.87 0.00 0.00 56.30 57.41 1ugl h ASN 41 Cb 0.00 0.00 -0.23 0.00 0.27 0.00 0.00 38.32 38.36 1ugl h ASN 41 CO 0.00 0.03 -0.79 0.42 -0.37 0.00 0.00 177.43 176.73 1ugl s THR 42 N -3.28 2.92 0.05 -3.57 -4.23 -1.26 -0.85 115.64 105.42 1ugl s THR 42 Ca 0.03 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1ugl s THR 42 Cb 0.10 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1ugl s THR 42 CO 0.75 0.52 0.07 0.00 -0.54 0.00 0.00 174.62 175.43 1ugl n HIS 43 N 2.11 -0.72 -1.41 3.99 1.44 -0.06 -4.73 115.22 115.84 1ugl n HIS 43 Ca -0.17 -0.30 0.00 0.00 -2.01 0.00 0.00 57.72 55.25 1ugl n HIS 43 Cb 0.52 0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.72 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 0.00 -5.03 4.39 3.41 -0.97 0.34 113.62 113.94 1ugl n SER 44 Ca -0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1ugl n SER 44 Cb 0.08 0.00 0.04 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 -2.10 -0.06 0.30 0.00 2.03 -1.25 -4.40 116.55 111.07 1ugl n ASP 46 Ca 0.13 -2.08 0.17 0.00 0.52 0.00 0.00 54.79 53.52 1ugl n ASP 46 Cb 0.61 0.10 0.99 0.00 -0.72 0.00 0.00 41.12 42.10 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 -4.52 0.04 -0.87 0.00 2.20 -1.26 -4.50 119.74 110.83 1ugl s LYS 48 Ca -0.05 0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.54 1ugl s LYS 48 Cb 0.15 -0.32 -0.22 0.00 -1.51 0.00 0.00 37.83 35.93 1ugl s LYS 48 CO 0.51 -0.17 2.32 0.45 -0.36 0.00 0.00 175.35 178.11 1ugl n SER 49 N 4.23 0.44 0.00 1.43 2.88 -1.26 -4.71 113.62 116.63 1ugl n SER 49 Ca -0.26 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1ugl n SER 49 Cb 0.50 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81