#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 2.08 -1.26 -4.95 119.36 114.62 1fqq n ILE 2 Ca 0.00 0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.48 1fqq n ILE 2 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.54 1fqq n ILE 2 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1fqq n GLY 3 N -2.82 0.10 1.13 7.39 0.00 -1.26 -5.10 105.19 104.62 1fqq n GLY 3 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1fqq n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fqq n ASP 4 N -2.11 -0.68 0.08 1.61 9.92 -1.26 -4.92 116.55 119.19 1fqq n ASP 4 Ca 0.00 -1.46 -0.08 0.00 -0.53 0.00 0.00 54.79 52.72 1fqq n ASP 4 Cb 0.00 1.13 0.02 0.00 -0.64 0.00 0.00 41.12 41.63 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1fqq h PRO 5 N 0.00 0.20 0.00 -0.24 0.13 -1.78 -1.90 132.00 128.41 1fqq h PRO 5 Ca -0.10 -0.20 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1fqq h PRO 5 Cb 0.37 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1fqq h PRO 5 CO 0.13 0.90 -0.74 0.28 -0.23 0.00 0.00 178.00 178.34 1fqq n VAL 6 N -3.71 1.45 -0.28 1.56 0.31 -1.04 -3.83 118.33 112.79 1fqq n VAL 6 Ca -0.03 0.17 0.23 0.00 -0.01 0.00 0.00 64.34 64.69 1fqq n VAL 6 Cb 0.76 -2.35 0.55 0.00 -0.91 0.00 0.00 33.84 31.89 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 -1.00 0.58 -0.85 2.52 2.02 -1.90 0.89 112.91 115.16 1fqq h THR 7 Ca -0.04 -0.11 0.21 0.00 0.77 0.00 0.00 66.41 67.23 1fqq h THR 7 Cb 0.72 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 1fqq h THR 7 CO -0.02 0.06 0.58 0.00 0.37 0.00 0.00 175.52 176.51 1fqq h LEU 9 N 0.27 0.90 -2.16 0.00 3.38 0.63 -2.04 115.31 116.29 1fqq h LEU 9 Ca 0.43 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1fqq h LEU 9 Cb 1.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1fqq h LEU 9 CO -0.11 1.16 0.22 0.50 0.09 0.00 0.00 178.44 180.30 1fqq h LYS 10 N 0.71 0.00 -0.02 1.13 1.63 0.50 1.13 116.57 121.65 1fqq h LYS 10 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1fqq h LYS 10 Cb 0.92 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1fqq h LYS 10 CO 0.08 0.00 0.00 0.45 -3.45 0.00 0.00 179.45 176.53 1fqq n SER 11 N -3.97 0.24 0.00 4.20 2.88 -0.91 -4.82 113.62 111.24 1fqq n SER 11 Ca 0.03 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 1fqq n SER 11 Cb 0.36 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.91 0.81 3.74 0.46 0.00 0.39 -4.68 105.19 106.82 1fqq n GLY 12 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.11 2.23 0.28 4.61 0.00 -0.82 -4.65 121.76 121.31 1fqq s ALA 13 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.68 1fqq s ALA 13 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1fqq s ALA 13 CO 0.00 -1.67 0.07 0.96 0.00 0.00 0.00 175.76 175.11 1fqq s ILE 14 N -2.32 3.53 -0.26 0.00 -4.36 0.31 -4.45 121.20 113.65 1fqq s ILE 14 Ca 0.69 -1.77 -0.07 0.00 -0.26 0.00 0.00 60.65 59.24 1fqq s ILE 14 Cb -0.23 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.49 1fqq s ILE 14 CO 0.46 -0.33 0.06 0.00 0.24 0.00 0.00 174.94 175.37 1fqq s HIS 16 N 1.55 -0.39 -1.22 0.00 -3.43 -0.72 -4.95 115.29 106.14 1fqq s HIS 16 Ca 0.05 0.09 -0.20 0.00 -0.80 0.00 0.00 55.06 54.20 1fqq s HIS 16 Cb -0.16 -0.38 -0.02 0.00 -1.43 0.00 0.00 32.58 30.60 1fqq s HIS 16 CO 0.02 -0.75 1.88 -0.35 -2.00 0.00 0.00 174.74 173.53 1fqq n PRO 17 N 5.32 2.38 0.00 -0.38 -0.04 -1.26 -0.72 135.00 140.30 1fqq n PRO 17 Ca -0.04 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.65 1fqq n PRO 17 Cb 0.48 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 1fqq n PRO 17 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1fqq n VAL 18 N 6.81 0.00 -4.57 0.52 0.24 -1.26 -4.95 118.33 115.13 1fqq n VAL 18 Ca 0.48 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.51 1fqq n VAL 18 Cb 0.45 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.56 -3.70 6.34 3.72 -1.26 -4.82 117.46 118.31 1fqq n PHE 19 Ca 0.00 -2.35 -0.38 0.00 -0.05 0.00 0.00 57.45 54.67 1fqq n PHE 19 Cb 0.00 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.29 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fqq s PRO 21 N 1.04 0.58 0.35 0.00 0.04 -1.26 -4.85 135.00 130.90 1fqq s PRO 21 Ca 0.09 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1fqq s PRO 21 Cb -0.23 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1fqq s PRO 21 CO -0.03 -2.54 0.00 0.54 0.04 0.00 0.00 177.00 175.01 1fqq n ARG 22 N -3.96 -2.28 0.00 4.56 5.12 -1.26 -3.89 116.66 114.95 1fqq n ARG 22 Ca 0.10 1.69 0.00 0.00 -1.93 0.00 0.00 57.85 57.71 1fqq n ARG 22 Cb 0.59 -2.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 1fqq n ARG 22 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fqq n ARG 23 N -3.79 0.89 0.00 5.56 1.74 -1.26 -4.82 116.66 114.98 1fqq n ARG 23 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1fqq n ARG 23 Cb 0.49 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 0.14 -1.59 -3.63 -1.55 9.36 -1.25 -4.77 117.16 113.87 1fqq n TYR 24 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1fqq n TYR 24 Cb 0.26 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.87 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 -1.34 0.28 0.21 2.98 2.47 -0.36 -4.82 119.74 119.16 1fqq s LYS 25 Ca 0.00 0.93 0.09 0.00 -1.56 0.00 0.00 55.97 55.43 1fqq s LYS 25 Cb 0.00 0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1fqq s LYS 25 CO 0.00 -0.29 -0.05 1.14 0.16 0.00 0.00 175.35 176.30 1fqq s GLN 26 N 2.56 2.18 0.00 4.03 0.00 -1.26 0.65 119.66 127.82 1fqq s GLN 26 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 55.36 54.06 1fqq s GLN 26 Cb -0.12 -2.18 0.00 0.00 0.00 0.00 0.00 33.01 30.71 1fqq s GLN 26 CO -0.12 0.41 0.19 0.44 0.00 0.00 0.00 175.29 176.22 1fqq n ILE 27 N -0.30 0.00 -3.20 3.63 -5.35 -0.38 -4.94 119.36 108.82 1fqq n ILE 27 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1fqq n ILE 27 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 4.58 0.95 3.28 0.00 -1.08 -4.94 105.19 107.99 1fqq n GLY 28 Ca 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 1fqq n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fqq n THR 29 N 0.00 0.00 0.00 2.61 -2.24 -1.26 0.53 114.28 113.93 1fqq n THR 29 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1fqq n THR 29 Cb 0.00 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1fqq n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fqq n GLY 31 N 1.97 2.74 0.16 0.00 0.00 -1.26 -2.49 105.19 106.31 1fqq n GLY 31 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 0.18-10.20 0.99 8.10 -1.98 -3.45 115.31 108.95 1fqq h LEU 32 Ca 0.00 -0.10 -0.49 0.00 0.11 0.00 0.00 57.88 57.40 1fqq h LEU 32 Cb 0.00 -0.05 0.06 0.00 -0.44 0.00 0.00 40.66 40.23 1fqq h LEU 32 CO 0.00 0.75 0.38 -2.16 -4.11 0.00 0.00 178.44 173.30 1fqq s PRO 33 N -3.70 3.39 0.00 0.17 0.04 -1.26 -4.90 135.00 128.74 1fqq s PRO 33 Ca -0.03 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1fqq s PRO 33 Cb 0.12 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1fqq s PRO 33 CO 0.79 -0.75 0.92 0.41 0.04 0.00 0.00 177.00 178.41 1fqq n GLY 34 N -1.10 1.74 3.22 0.56 0.00 -1.26 -4.17 105.19 104.18 1fqq n GLY 34 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1fqq n GLY 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fqq n THR 35 N 0.66 0.00 -3.90 2.61 -1.04 -1.26 -4.81 114.28 106.54 1fqq n THR 35 Ca 0.00 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 1fqq n THR 35 Cb 0.43 -0.54 -0.14 0.00 -1.82 0.00 0.00 70.33 68.25 1fqq n THR 35 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1fqq s LYS 36 N -3.34 3.19 -0.44 -2.82 -0.14 0.11 -3.98 119.74 112.31 1fqq s LYS 36 Ca 0.52 -0.76 -0.17 0.00 -1.36 0.00 0.00 55.97 54.21 1fqq s LYS 36 Cb -0.09 -3.06 0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1fqq s LYS 36 CO 0.62 -0.29 0.42 0.00 -0.76 0.00 0.00 175.35 175.34 1fqq s LYS 39 N -0.12 1.98 0.27 0.00 0.00 0.21 0.11 119.74 122.19 1fqq s LYS 39 Ca -0.02 -2.22 -0.30 0.00 0.00 0.00 0.00 55.97 53.43 1fqq s LYS 39 Cb -0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 37.83 36.91 1fqq s LYS 39 CO 0.04 -0.49 1.41 0.21 0.00 0.00 0.00 175.35 176.52 1fqq s LYS 40 N -3.71 4.28 0.00 1.78 2.20 -1.26 -1.22 119.74 121.81 1fqq s LYS 40 Ca 0.21 2.28 0.24 0.00 -0.36 0.00 0.00 55.97 58.35 1fqq s LYS 40 Cb 0.02 -3.10 1.44 0.00 -1.51 0.00 0.00 37.83 34.68 1fqq s LYS 40 CO 0.14 -0.37 1.80 -0.35 -0.36 0.00 0.00 175.35 176.20