#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 -0.37 -0.61 5.41 -1.26 -1.96 119.36 120.57 1fqq n ILE 2 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1fqq n ILE 2 Cb 0.00 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 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 1.21 0.80 1.19 7.39 0.00 -1.26 -4.95 105.19 109.57 1fqq n GLY 3 Ca 0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.31 0.97 0.00 1.61 9.92 -0.83 -4.31 116.55 123.59 1fqq n ASP 4 Ca 0.00 -1.51 0.00 0.00 -0.53 0.00 0.00 54.79 52.75 1fqq n ASP 4 Cb 0.11 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 1fqq n ASP 4 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1fqq n PRO 5 N -1.21 0.00 0.00 -0.24 -0.04 -1.25 -3.92 135.00 128.34 1fqq n PRO 5 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1fqq n PRO 5 Cb 0.19 -0.50 -0.01 0.00 -0.04 0.00 0.00 33.50 33.14 1fqq n PRO 5 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1fqq h VAL 6 N 0.00 0.00 -1.61 0.52 2.07 -1.92 -3.27 116.25 112.04 1fqq h VAL 6 Ca 0.00 -0.74 0.48 0.00 0.82 0.00 0.00 66.70 67.26 1fqq h VAL 6 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.69 1fqq h VAL 6 CO 0.00 0.00 1.14 0.41 0.02 0.00 0.00 177.57 179.14 1fqq n THR 7 N -4.34 -0.05 0.38 2.57 -1.04 -1.26 0.18 114.28 110.72 1fqq n THR 7 Ca -0.01 1.37 -0.17 0.00 -2.04 0.00 0.00 64.05 63.20 1fqq n THR 7 Cb 0.04 -2.28 -0.08 0.00 -1.82 0.00 0.00 70.33 66.19 1fqq n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fqq h LEU 9 N -1.15 0.00 -1.68 0.00 8.10 0.19 1.84 115.31 122.62 1fqq h LEU 9 Ca -0.10 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.91 1fqq h LEU 9 Cb 0.77 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.99 1fqq h LEU 9 CO 0.16 0.03 0.47 0.50 -4.11 0.00 0.00 178.44 175.49 1fqq h LYS 10 N 0.00 0.00 0.00 0.17 1.63 -0.12 -3.41 116.57 114.84 1fqq h LYS 10 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1fqq h LYS 10 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1fqq h LYS 10 CO 0.00 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.43 1fqq n SER 11 N -2.94 0.00 0.21 4.20 7.64 -0.27 -4.99 113.62 117.48 1fqq n SER 11 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.01 1fqq n SER 11 Cb 0.53 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.45 1fqq n SER 11 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1fqq h GLY 12 N 0.00 0.00 0.00 0.23 0.00 0.25 -3.46 103.07 100.08 1fqq h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fqq h GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1fqq n ALA 13 N -2.50 0.00 -2.76 3.60 0.00 0.20 -4.40 120.51 114.66 1fqq n ALA 13 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 1fqq n ALA 13 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1fqq n ALA 13 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1fqq s ILE 14 N -2.34 5.17 -0.26 0.00 -4.36 -0.26 -3.54 121.20 115.62 1fqq s ILE 14 Ca 0.00 -0.54 -0.07 0.00 -0.26 0.00 0.00 60.65 59.77 1fqq s ILE 14 Cb 0.00 -3.82 -0.02 0.00 1.25 0.00 0.00 42.46 39.87 1fqq s ILE 14 CO 0.00 -0.38 0.08 0.00 0.24 0.00 0.00 174.94 174.87 1fqq s HIS 16 N 1.61 -0.30 -1.23 0.00 -3.43 -0.53 -4.99 115.29 106.41 1fqq s HIS 16 Ca 0.06 0.13 -0.20 0.00 -0.80 0.00 0.00 55.06 54.24 1fqq s HIS 16 Cb -0.15 -0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 30.60 1fqq s HIS 16 CO 0.04 -0.67 1.83 -1.25 -2.00 0.00 0.00 174.74 172.68 1fqq s PRO 17 N 2.33 3.24 0.00 -0.38 0.04 -1.26 -1.16 135.00 137.81 1fqq s PRO 17 Ca 0.08 -1.54 0.00 0.00 0.04 0.00 0.00 61.00 59.57 1fqq s PRO 17 Cb -0.15 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1fqq s PRO 17 CO -0.17 -3.10 0.00 1.33 0.04 0.00 0.00 177.00 175.11 1fqq n VAL 18 N 7.11 0.00 -4.10 -0.36 0.24 -1.26 -4.92 118.33 115.03 1fqq n VAL 18 Ca 0.46 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.63 1fqq n VAL 18 Cb 0.46 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 1fqq n VAL 18 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 1fqq n PHE 19 N 0.00 -0.04 -3.86 6.34 1.16 -1.26 -4.73 117.46 115.07 1fqq n PHE 19 Ca 0.00 -1.04 -0.31 0.00 -1.87 0.00 0.00 57.45 54.23 1fqq n PHE 19 Cb 0.00 -0.16 -0.12 0.00 -1.61 0.00 0.00 39.48 37.59 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fqq n PRO 21 N 2.71 -1.49 -1.08 0.00 -0.04 -1.26 -4.83 135.00 128.99 1fqq n PRO 21 Ca 0.12 -1.11 0.14 0.00 -0.04 0.00 0.00 63.50 62.61 1fqq n PRO 21 Cb 0.34 -0.87 -0.05 0.00 -0.04 0.00 0.00 33.50 32.88 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 -3.04 -2.37 0.00 0.54 3.00 -1.26 -3.80 116.66 109.73 1fqq n ARG 22 Ca 0.09 1.80 0.00 0.00 -0.01 0.00 0.00 57.85 59.73 1fqq n ARG 22 Cb 0.34 -2.82 0.00 0.00 0.00 0.00 0.00 32.46 29.98 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 -3.85 0.48 -1.90 5.56 1.74 -1.26 -4.76 116.66 112.67 1fqq n ARG 23 Ca -0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1fqq n ARG 23 Cb 0.51 -1.01 0.05 0.00 -1.02 0.00 0.00 32.46 30.98 1fqq n ARG 23 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1fqq s TYR 24 N -1.94 3.31 0.17 -1.55 5.04 -1.25 -4.56 117.35 116.57 1fqq s TYR 24 Ca 0.00 1.02 -0.19 0.00 -2.44 0.00 0.00 57.07 55.46 1fqq s TYR 24 Cb 0.00 -3.08 0.04 0.00 0.35 0.00 0.00 41.96 39.27 1fqq s TYR 24 CO 0.00 -1.19 0.52 0.21 -1.34 0.00 0.00 175.55 173.75 1fqq s LYS 25 N -5.36 1.29 0.00 4.97 2.20 0.23 -4.85 119.74 118.23 1fqq s LYS 25 Ca 0.58 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1fqq s LYS 25 Cb -0.11 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1fqq s LYS 25 CO 0.51 -0.55 0.00 0.94 -0.36 0.00 0.00 175.35 175.90 1fqq n GLN 26 N -0.33 0.00 -1.40 4.03 -0.06 -1.26 0.87 117.38 119.24 1fqq n GLN 26 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 1fqq n GLN 26 Cb 0.63 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.81 1fqq n GLN 26 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1fqq n ILE 27 N 0.00 -0.03 -4.04 1.69 5.41 -0.86 -4.99 119.36 116.54 1fqq n ILE 27 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 1fqq n ILE 27 Cb 0.00 -1.78 -0.16 0.00 -0.71 0.00 0.00 39.64 36.99 1fqq n ILE 27 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1fqq s GLY 28 N -2.42 1.24 0.80 7.39 0.00 -0.69 -4.89 107.32 108.74 1fqq s GLY 28 Ca 0.00 -1.09 -0.09 0.00 0.00 0.00 0.00 44.72 43.54 1fqq s GLY 28 CO 0.00 0.52 0.08 2.41 0.00 0.00 0.00 173.10 176.11 1fqq n THR 29 N 4.70 0.00 0.00 0.90 -1.04 -1.25 0.19 114.28 117.78 1fqq n THR 29 Ca -0.17 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1fqq n THR 29 Cb 0.49 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 2.30 5.18 0.10 0.00 0.00 -1.26 -3.71 105.19 107.81 1fqq n GLY 31 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 -4.17 0.99 8.10 -2.00 -3.37 115.31 114.87 1fqq h LEU 32 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 1fqq h LEU 32 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 1fqq h LEU 32 CO 0.00 0.65 -0.16 -0.81 -4.11 0.00 0.00 178.44 174.02 1fqq n PRO 33 N -3.09 1.44 -2.64 0.17 -0.04 -1.26 -4.70 135.00 124.89 1fqq n PRO 33 Ca -0.05 -0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 62.62 1fqq n PRO 33 Cb 0.84 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.54 -0.08 3.20 0.55 0.00 -1.26 -4.76 105.19 105.39 1fqq n GLY 34 Ca 0.30 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.71 0.00 -3.73 2.61 -1.04 -1.26 -4.72 114.28 104.42 1fqq n THR 35 Ca -0.02 -0.20 -0.28 0.00 -2.04 0.00 0.00 64.05 61.50 1fqq n THR 35 Cb 0.16 -0.63 -0.16 0.00 -1.82 0.00 0.00 70.33 67.87 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 -3.68 0.68 -0.17 -2.82 -0.14 -0.31 -3.84 119.74 109.46 1fqq s LYS 36 Ca 0.52 -0.59 -0.11 0.00 -1.36 0.00 0.00 55.97 54.43 1fqq s LYS 36 Cb -0.11 -2.05 -0.05 0.00 -1.68 0.00 0.00 37.83 33.94 1fqq s LYS 36 CO 0.55 -0.73 0.20 0.00 -0.76 0.00 0.00 175.35 174.61 1fqq n LYS 39 N 3.33 0.82 -2.05 0.00 -0.00 0.25 -1.10 118.16 119.41 1fqq n LYS 39 Ca -0.18 -3.51 -0.40 0.00 -0.00 0.00 0.00 58.31 54.22 1fqq n LYS 39 Cb 0.53 0.89 -0.01 0.00 -0.00 0.00 0.00 35.03 36.44 1fqq n LYS 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1fqq s LYS 40 N -3.79 3.99 0.00 -1.58 2.20 -1.26 0.75 119.74 120.06 1fqq s LYS 40 Ca 0.03 2.17 0.24 0.00 -0.36 0.00 0.00 55.97 58.05 1fqq s LYS 40 Cb -0.00 -2.78 1.43 0.00 -1.51 0.00 0.00 37.83 34.97 1fqq s LYS 40 CO 0.02 -0.48 1.79 -0.35 -0.36 0.00 0.00 175.35 175.97