#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 0.00 -2.79 1.20 0.00 -1.26 -5.04 117.00 109.11 1ugl n LEU 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 1ugl n LEU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1ugl n LEU 2 CO 0.00 0.00 -0.33 0.23 0.00 0.00 0.00 177.39 177.29 1ugl n MET 3 N 0.00 -3.05 -3.81 1.96 2.81 -1.26 -4.98 117.12 108.79 1ugl n MET 3 Ca 0.00 2.51 -0.31 0.00 -1.81 0.00 0.00 57.70 58.09 1ugl n MET 3 Cb 0.00 -5.28 -0.10 0.00 -0.71 0.00 0.00 33.22 27.13 1ugl n MET 3 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1ugl s LYS 4 N -1.92 2.64 -0.35 0.03 0.00 -1.26 -4.71 119.74 114.16 1ugl s LYS 4 Ca 0.08 -3.15 -0.28 0.00 0.00 0.00 0.00 55.97 52.63 1ugl s LYS 4 Cb -0.02 -3.59 -0.03 0.00 0.00 0.00 0.00 37.83 34.18 1ugl s LYS 4 CO 0.76 -1.24 2.00 -0.98 0.00 0.00 0.00 175.35 175.88 1ugl s ARG 5 N -1.12 3.05 0.27 1.78 1.70 -1.26 -3.77 118.95 119.59 1ugl s ARG 5 Ca 0.24 1.50 -0.30 0.00 -0.47 0.00 0.00 55.73 56.70 1ugl s ARG 5 Cb -0.10 -4.31 -0.11 0.00 -0.57 0.00 0.00 34.95 29.86 1ugl s ARG 5 CO -0.12 -2.19 1.52 0.00 -1.08 0.00 0.00 175.30 173.44 1ugl n THR 7 N 2.30 -5.00 -1.14 0.00 -2.24 -1.17 -4.77 114.28 102.26 1ugl n THR 7 Ca 0.08 2.30 -0.05 0.00 -2.27 0.00 0.00 64.05 64.11 1ugl n THR 7 Cb 0.39 -3.16 0.26 0.00 -2.10 0.00 0.00 70.33 65.72 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 -0.88 3.05 0.00 -0.78 1.74 -1.26 -4.60 116.66 113.93 1ugl n ARG 8 Ca 0.00 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 1ugl n ARG 8 Cb 0.00 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 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 -0.52 -0.76 2.86 -0.13 0.00 -1.26 -4.98 105.19 100.40 1ugl n GLY 9 Ca 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.46 -2.70 1.61 -0.00 -1.26 -5.03 117.46 106.62 1ugl n PHE 10 Ca 0.00 1.46 -0.06 0.00 -0.00 0.00 0.00 57.45 58.85 1ugl n PHE 10 Cb 0.00 -3.74 0.09 0.00 -0.00 0.00 0.00 39.48 35.83 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 0.19 0.72 -3.93 -4.13 0.00 -1.26 -5.03 116.66 103.21 1ugl n ARG 11 Ca 0.05 -1.44 -0.26 0.00 -0.00 0.00 0.00 57.85 56.20 1ugl n ARG 11 Cb 0.30 -0.53 -0.03 0.00 -0.00 0.00 0.00 32.46 32.20 1ugl n ARG 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1ugl s LYS 12 N 0.17 3.45 0.07 2.89 3.01 0.86 -4.98 119.74 125.20 1ugl s LYS 12 Ca 0.20 -0.60 -0.14 0.00 -1.01 0.00 0.00 55.97 54.42 1ugl s LYS 12 Cb 0.29 -2.95 0.02 0.00 -1.01 0.00 0.00 37.83 34.18 1ugl s LYS 12 CO -0.10 0.50 0.31 -0.48 0.51 0.00 0.00 175.35 176.09 1ugl s LEU 13 N -3.33 0.86 0.00 3.17 0.05 -1.26 -0.64 118.68 117.52 1ugl s LEU 13 Ca 0.35 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.25 1ugl s LEU 13 Cb -0.11 1.41 0.00 0.00 -2.05 0.00 0.00 46.19 45.44 1ugl s LEU 13 CO 0.29 -0.68 0.00 0.61 -0.55 0.00 0.00 176.35 176.02 1ugl n GLY 14 N 0.33 1.29 2.48 -3.48 0.00 -0.17 -4.42 105.19 101.21 1ugl n GLY 14 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.13 -0.98 -3.53 1.61 5.02 -0.80 -1.76 118.16 117.59 1ugl n LYS 15 Ca 0.00 0.79 -0.20 0.00 -2.02 0.00 0.00 58.31 56.88 1ugl n LYS 15 Cb 0.00 -1.10 0.06 0.00 -0.02 0.00 0.00 35.03 33.97 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 -3.50 4.59 0.12 0.00 2.01 -0.72 -4.91 115.64 113.22 1ugl s THR 17 Ca 0.16 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.95 1ugl s THR 17 Cb -0.03 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1ugl s THR 17 CO 0.78 -0.36 1.58 0.74 -0.69 0.00 0.00 174.62 176.67 1ugl h THR 18 N 1.64 0.14 -0.80 -0.82 2.02 -1.91 0.70 112.91 113.87 1ugl h THR 18 Ca -0.48 0.00 0.23 0.00 0.77 0.00 0.00 66.41 66.93 1ugl h THR 18 Cb 1.18 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1ugl h THR 18 CO 0.63 0.00 0.81 0.25 0.37 0.00 0.00 175.52 177.58 1ugl h LEU 19 N -0.61 0.00 0.00 2.58 7.12 -1.94 0.47 115.31 122.92 1ugl h LEU 19 Ca 0.03 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1ugl h LEU 19 Cb 0.67 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1ugl h LEU 19 CO -0.30 0.00 -0.15 -0.33 -0.13 0.00 0.00 178.44 177.53 1ugl h GLU 20 N 0.00 0.00 -0.15 1.25 4.39 -1.19 -0.76 114.58 118.12 1ugl h GLU 20 Ca 0.38 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.13 1ugl h GLU 20 Cb 2.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1ugl h GLU 20 CO -0.00 0.80 0.14 1.05 -1.16 0.00 0.00 179.01 179.84 1ugl h GLU 21 N -1.00 0.00 0.18 2.33 4.11 0.26 -0.76 114.58 119.71 1ugl h GLU 21 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1ugl h GLU 21 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1ugl h GLU 21 CO -0.02 0.00 -0.09 0.93 0.07 0.00 0.00 179.01 179.90 1ugl h GLU 22 N 0.00 -0.24 -1.40 1.06 4.39 -0.21 -2.83 114.58 115.35 1ugl h GLU 22 Ca 0.07 0.02 0.44 0.00 0.34 0.00 0.00 59.36 60.23 1ugl h GLU 22 Cb 0.35 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.94 1ugl h GLU 22 CO -0.00 0.17 0.94 -0.22 -1.16 0.00 0.00 179.01 178.74 1ugl h LYS 23 N -0.83 0.08 0.26 2.33 3.64 0.35 0.50 116.57 122.91 1ugl h LYS 23 Ca -0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1ugl h LYS 23 Cb 0.52 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1ugl h LYS 23 CO 0.04 0.05 -0.13 0.00 -2.27 0.00 0.00 179.45 177.15 1ugl h LYS 25 N -0.75 -0.17 -0.28 0.00 6.56 -0.14 0.24 116.57 122.03 1ugl h LYS 25 Ca -0.04 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.60 1ugl h LYS 25 Cb 0.50 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.16 1ugl h LYS 25 CO 0.06 0.20 0.06 1.79 -2.06 0.00 0.00 179.45 179.49 1ugl h THR 26 N -0.97 0.87 0.17 -0.16 1.35 -0.40 -3.24 112.91 110.52 1ugl h THR 26 Ca -0.02 -0.06 -0.34 0.00 -0.55 0.00 0.00 66.41 65.45 1ugl h THR 26 Cb 0.44 0.69 0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1ugl h THR 26 CO 0.03 0.03 -1.69 -0.07 -0.25 0.00 0.00 175.52 173.57 1ugl h LEU 27 N 0.16 0.55 -9.60 3.87 3.38 -1.50 -3.48 115.31 108.69 1ugl h LEU 27 Ca 0.13 -0.92 -0.58 0.00 0.09 0.00 0.00 57.88 56.60 1ugl h LEU 27 Cb 0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 1ugl h LEU 27 CO -0.17 1.76 -0.63 -0.31 0.09 0.00 0.00 178.44 179.18 1ugl s TYR 28 N -2.55 2.90 0.00 1.13 2.02 0.07 -5.03 117.35 115.89 1ugl s TYR 28 Ca -0.17 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1ugl s TYR 28 Cb 0.05 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 1ugl s TYR 28 CO 0.83 0.54 0.48 -2.30 -1.57 0.00 0.00 175.55 173.52 1ugl n PRO 29 N -0.41 0.00 0.00 -1.71 -0.02 -1.26 -3.84 135.00 127.76 1ugl n PRO 29 Ca -0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ugl n PRO 29 Cb 0.56 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1ugl n PRO 29 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ugl n ARG 30 N -1.36 0.00 -2.23 -0.52 1.85 -1.26 -4.77 116.66 108.36 1ugl n ARG 30 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 1ugl n ARG 30 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1ugl n ARG 30 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ugl n GLY 31 N 0.00 -0.67 2.36 2.89 0.00 -1.26 -3.57 105.19 104.93 1ugl n GLY 31 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.44 -1.43 -3.45 1.61 6.02 -1.26 -3.64 117.38 113.78 1ugl n GLN 32 Ca -0.00 0.90 -0.40 0.00 -0.01 0.00 0.00 57.00 57.49 1ugl n GLN 32 Cb 0.50 -5.38 -0.10 0.00 1.02 0.00 0.00 30.24 26.28 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 5.16 0.00 -3.45 0.00 5.66 -1.26 -4.78 114.28 115.60 1ugl n THR 34 Ca -0.10 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.51 1ugl n THR 34 Cb 0.50 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.20 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 1.31 1.47 -0.02 0.00 0.15 -0.63 -4.99 113.70 111.00 1ugl s SER 36 Ca 0.15 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1ugl s SER 36 Cb -0.15 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1ugl s SER 36 CO 0.08 -0.23 -0.13 -0.62 1.20 0.00 0.00 173.24 173.54 1ugl s ASP 37 N 2.06 1.55 0.00 5.45 -1.08 -1.26 -2.34 116.67 121.06 1ugl s ASP 37 Ca 0.05 -0.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1ugl s ASP 37 Cb -0.12 -0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.09 1ugl s ASP 37 CO -0.05 0.14 0.02 -1.20 0.52 0.00 0.00 175.17 174.61 1ugl n SER 38 N 2.89 0.00 0.00 -0.34 7.64 -1.26 -5.03 113.62 117.52 1ugl n SER 38 Ca -0.15 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1ugl n SER 38 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ugl n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ugl n LYS 39 N 0.00 0.00 0.00 1.43 4.76 -1.26 -5.16 118.16 117.93 1ugl n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ugl n LYS 39 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1ugl n LYS 39 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1ugl n MET 40 N -0.63 0.00 0.17 1.97 1.56 -1.26 -4.98 117.12 113.95 1ugl n MET 40 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.54 1ugl n MET 40 Cb 0.00 0.00 0.57 0.00 2.15 0.00 0.00 33.22 35.94 1ugl n MET 40 CO 0.00 0.00 0.00 -0.97 -0.73 0.00 0.00 175.97 174.27 1ugl h ASN 41 N 0.00 0.00 -2.71 6.12 -0.00 -2.00 -3.41 115.58 113.58 1ugl h ASN 41 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 56.30 55.64 1ugl h ASN 41 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.26 1ugl h ASN 41 CO 0.00 0.00 -0.46 0.42 -0.00 0.00 0.00 177.43 177.39 1ugl s THR 42 N -3.54 5.46 0.24 -3.57 -4.23 -1.26 -1.00 115.64 107.74 1ugl s THR 42 Ca -0.02 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1ugl s THR 42 Cb 0.06 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1ugl s THR 42 CO 0.19 0.54 0.37 0.00 -0.54 0.00 0.00 174.62 175.18 1ugl n HIS 43 N 1.70 -1.28 -1.72 3.99 1.44 0.18 -4.52 115.22 115.02 1ugl n HIS 43 Ca -0.17 -1.53 0.00 0.00 -2.01 0.00 0.00 57.72 54.01 1ugl n HIS 43 Cb 0.54 0.42 0.00 0.00 0.12 0.00 0.00 29.99 31.07 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 -1.70 0.00 -4.16 4.39 3.41 -0.99 -0.10 113.62 114.47 1ugl n SER 44 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.32 1ugl n SER 44 Cb 0.40 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.18 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 3.33 7.44 0.25 0.00 2.03 -1.25 -3.03 116.55 125.32 1ugl n ASP 46 Ca -0.19 -3.75 0.17 0.00 0.52 0.00 0.00 54.79 51.55 1ugl n ASP 46 Cb 0.53 -1.13 0.88 0.00 -0.72 0.00 0.00 41.12 40.68 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 -3.82 0.85 -0.99 0.00 1.02 -1.24 -4.27 119.74 111.29 1ugl s LYS 48 Ca -0.03 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 54.86 1ugl s LYS 48 Cb 0.10 0.35 -0.11 0.00 -0.52 0.00 0.00 37.83 37.64 1ugl s LYS 48 CO 0.35 -0.27 1.93 0.45 -0.92 0.00 0.00 175.35 176.88 1ugl n SER 49 N 0.03 2.90 -0.56 2.83 2.88 -1.26 -4.79 113.62 115.65 1ugl n SER 49 Ca -0.16 -2.70 0.07 0.00 -1.33 0.00 0.00 58.87 54.75 1ugl n SER 49 Cb 0.62 -1.43 0.06 0.00 -0.75 0.00 0.00 64.21 62.71 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81