#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqq n ILE 2 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -4.81 119.36 118.09 1fqq n ILE 2 Ca 0.00 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.29 1fqq n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1fqq n ILE 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fqq n GLY 3 N 3.03 0.51 3.10 7.39 0.00 -1.26 -5.12 105.19 112.84 1fqq n GLY 3 Ca -0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1fqq n GLY 3 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fqq n ASP 4 N 0.00 -1.19 -0.03 1.61 5.75 -1.26 -4.94 116.55 116.49 1fqq n ASP 4 Ca 0.00 -2.78 -0.13 0.00 -0.01 0.00 0.00 54.79 51.87 1fqq n ASP 4 Cb 0.00 2.26 -0.11 0.00 -1.03 0.00 0.00 41.12 42.24 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1fqq h PRO 5 N 0.00 -0.03 0.00 0.11 0.13 -1.95 -2.86 132.00 127.40 1fqq h PRO 5 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1fqq h PRO 5 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1fqq h PRO 5 CO 0.34 0.66 0.00 0.28 -0.23 0.00 0.00 178.00 179.04 1fqq n VAL 6 N -4.76 0.00 -0.26 1.56 0.31 -1.26 -3.69 118.33 110.23 1fqq n VAL 6 Ca -0.09 0.51 0.31 0.00 -0.01 0.00 0.00 64.34 65.06 1fqq n VAL 6 Cb 0.34 -1.36 0.48 0.00 -0.91 0.00 0.00 33.84 32.40 1fqq n VAL 6 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1fqq h THR 7 N 0.00 0.01 -1.54 2.52 2.02 -1.96 0.89 112.91 114.85 1fqq h THR 7 Ca 0.00 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.63 1fqq h THR 7 Cb 0.00 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.36 1fqq h THR 7 CO 0.00 0.00 1.10 0.00 0.37 0.00 0.00 175.52 176.99 1fqq h LEU 9 N 0.01 0.95 -2.32 0.00 3.38 0.65 0.35 115.31 118.33 1fqq h LEU 9 Ca 0.74 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fqq h LEU 9 Cb 2.93 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 43.41 1fqq h LEU 9 CO -0.02 1.35 0.18 0.50 0.09 0.00 0.00 178.44 180.53 1fqq h LYS 10 N 0.59 0.00 -0.45 1.13 1.63 0.47 1.46 116.57 121.40 1fqq h LYS 10 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1fqq h LYS 10 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1fqq h LYS 10 CO 0.13 0.00 0.00 0.45 -3.45 0.00 0.00 179.45 176.58 1fqq n SER 11 N -2.89 3.42 0.00 4.20 2.88 -0.94 -4.92 113.62 115.37 1fqq n SER 11 Ca -0.02 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 1fqq n SER 11 Cb 0.23 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fqq n GLY 12 N 1.33 0.52 3.76 0.46 0.00 0.50 -4.84 105.19 106.91 1fqq n GLY 12 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1fqq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqq s ALA 13 N -2.36 3.09 0.41 4.61 0.00 0.12 -4.90 121.76 122.73 1fqq s ALA 13 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1fqq s ALA 13 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1fqq s ALA 13 CO 0.00 -1.11 0.63 0.96 0.00 0.00 0.00 175.76 176.24 1fqq s ILE 14 N -1.28 4.44 -0.27 0.00 -5.25 0.92 -4.19 121.20 115.57 1fqq s ILE 14 Ca 0.63 -0.46 -0.03 0.00 -0.99 0.00 0.00 60.65 59.80 1fqq s ILE 14 Cb -0.40 -3.63 0.03 0.00 2.95 0.00 0.00 42.46 41.40 1fqq s ILE 14 CO 0.50 -0.44 -0.01 0.00 -1.79 0.00 0.00 174.94 173.21 1fqq s HIS 16 N 1.36 -0.20 0.42 0.00 3.76 -0.12 -5.01 115.29 115.51 1fqq s HIS 16 Ca -0.00 0.45 -0.23 0.00 -0.15 0.00 0.00 55.06 55.12 1fqq s HIS 16 Cb -0.17 0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.49 1fqq s HIS 16 CO -0.02 -0.20 1.05 -1.25 -0.85 0.00 0.00 174.74 173.47 1fqq s PRO 17 N -0.37 4.09 0.00 8.40 0.04 -1.26 -0.25 135.00 145.64 1fqq s PRO 17 Ca -0.05 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1fqq s PRO 17 Cb -0.03 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1fqq s PRO 17 CO 0.01 -0.20 0.00 1.33 0.04 0.00 0.00 177.00 178.18 1fqq n VAL 18 N -0.25 0.00 -0.97 -0.36 0.24 -1.26 -4.52 118.33 111.21 1fqq n VAL 18 Ca 0.06 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.03 1fqq n VAL 18 Cb 0.50 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 1fqq n VAL 18 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fqq n PHE 19 N 0.00 -0.42 -4.35 6.34 3.72 -1.26 -4.57 117.46 116.92 1fqq n PHE 19 Ca 0.00 0.66 -0.34 0.00 -0.05 0.00 0.00 57.45 57.71 1fqq n PHE 19 Cb 0.00 -1.35 -0.09 0.00 -0.94 0.00 0.00 39.48 37.10 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fqq n PRO 21 N 1.97 -1.65 -1.00 0.00 -0.04 -1.26 -4.92 135.00 128.10 1fqq n PRO 21 Ca -0.18 -1.27 0.12 0.00 -0.04 0.00 0.00 63.50 62.13 1fqq n PRO 21 Cb 0.53 -1.00 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 1fqq n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fqq n ARG 22 N -3.30 -2.33 0.00 0.54 3.00 -1.26 -4.20 116.66 109.11 1fqq n ARG 22 Ca 0.11 1.91 0.00 0.00 -0.01 0.00 0.00 57.85 59.86 1fqq n ARG 22 Cb 0.39 -2.72 0.00 0.00 0.00 0.00 0.00 32.46 30.13 1fqq n ARG 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1fqq n ARG 23 N -3.63 0.94 0.00 5.56 1.74 -1.26 -4.81 116.66 115.20 1fqq n ARG 23 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1fqq n ARG 23 Cb 0.48 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1fqq n ARG 23 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1fqq n TYR 24 N 0.15 -0.60 -3.26 -1.55 9.36 -1.26 -4.68 117.16 115.33 1fqq n TYR 24 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1fqq n TYR 24 Cb 0.29 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.96 1fqq n TYR 24 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1fqq s LYS 25 N 0.00 0.45 0.43 2.98 2.20 0.33 -4.65 119.74 121.47 1fqq s LYS 25 Ca 0.00 0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 55.82 1fqq s LYS 25 Cb 0.00 -0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.10 1fqq s LYS 25 CO 0.00 -0.89 0.99 1.14 -0.36 0.00 0.00 175.35 176.23 1fqq s GLN 26 N 2.64 4.14 0.00 4.03 0.00 -1.26 0.10 119.66 129.32 1fqq s GLN 26 Ca 0.12 1.27 0.00 0.00 -0.00 0.00 0.00 55.36 56.75 1fqq s GLN 26 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 33.01 30.60 1fqq s GLN 26 CO -0.25 -0.12 0.37 0.44 0.00 0.00 0.00 175.29 175.73 1fqq n ILE 27 N -0.50 0.00 -3.62 3.63 -5.35 0.28 -4.77 119.36 109.02 1fqq n ILE 27 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1fqq n ILE 27 Cb 0.52 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1fqq n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fqq n GLY 28 N 0.00 3.83 0.00 3.28 0.00 -0.97 -4.85 105.19 106.48 1fqq n GLY 28 Ca -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1fqq n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fqq n THR 29 N 0.00 0.00 0.00 2.61 -1.04 -1.23 -0.16 114.28 114.47 1fqq n THR 29 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1fqq n THR 29 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1fqq n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fqq n GLY 31 N 0.00 4.24 0.23 0.00 0.00 -1.26 -4.67 105.19 103.72 1fqq n GLY 31 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.01 1fqq n GLY 31 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1fqq h LEU 32 N 0.00 0.07 -4.49 0.99 8.10 -2.01 -3.07 115.31 114.90 1fqq h LEU 32 Ca 0.00 -0.01 -0.23 0.00 0.11 0.00 0.00 57.88 57.75 1fqq h LEU 32 Cb 0.00 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.17 1fqq h LEU 32 CO 0.00 0.25 0.64 -0.81 -4.11 0.00 0.00 178.44 174.41 1fqq n PRO 33 N -4.29 1.81 -3.89 0.17 -0.04 -1.26 -4.68 135.00 122.82 1fqq n PRO 33 Ca -0.02 -1.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.14 1fqq n PRO 33 Cb 0.26 -2.05 0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1fqq n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fqq n GLY 34 N 2.88 -0.63 3.63 0.55 0.00 -1.19 -4.84 105.19 105.59 1fqq n GLY 34 Ca 0.39 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 1fqq n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqq s THR 35 N -3.77 2.28 -0.28 2.61 2.01 -1.16 -4.63 115.64 112.70 1fqq s THR 35 Ca 0.29 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1fqq s THR 35 Cb -0.16 -2.27 0.06 0.00 0.01 0.00 0.00 72.50 70.14 1fqq s THR 35 CO 0.67 -0.12 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.87 1fqq s LYS 36 N -4.68 2.17 -0.25 4.92 -0.14 0.65 -4.23 119.74 118.18 1fqq s LYS 36 Ca 0.66 -1.41 -0.17 0.00 -1.36 0.00 0.00 55.97 53.68 1fqq s LYS 36 Cb -0.22 -2.99 -0.03 0.00 -1.68 0.00 0.00 37.83 32.91 1fqq s LYS 36 CO 0.60 -0.64 0.48 0.00 -0.76 0.00 0.00 175.35 175.04 1fqq s LYS 39 N 0.72 2.16 0.29 0.00 1.02 0.28 -0.06 119.74 124.15 1fqq s LYS 39 Ca 0.17 -1.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.03 1fqq s LYS 39 Cb -0.13 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 1fqq s LYS 39 CO 0.05 -0.02 1.39 0.21 -0.92 0.00 0.00 175.35 176.06 1fqq s LYS 40 N -3.82 4.29 0.00 1.68 2.20 -1.26 0.12 119.74 122.95 1fqq s LYS 40 Ca 0.38 2.28 0.24 0.00 -0.36 0.00 0.00 55.97 58.51 1fqq s LYS 40 Cb 0.03 -3.09 1.43 0.00 -1.51 0.00 0.00 37.83 34.70 1fqq s LYS 40 CO 0.21 -0.34 1.80 -0.35 -0.36 0.00 0.00 175.35 176.31