#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 -4.76 119.36 118.14 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 0.00 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 0.00 -1.81 2.70 7.39 0.00 -1.26 -4.94 105.19 107.26 1fqq n GLY 3 Ca 0.00 0.74 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 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 1.84 0.01 1.61 3.85 -1.26 -4.91 116.55 117.69 1fqq n ASP 4 Ca 0.00 -2.71 -0.19 0.00 -0.71 0.00 0.00 54.79 51.18 1fqq n ASP 4 Cb 0.00 0.62 -0.09 0.00 -1.35 0.00 0.00 41.12 40.30 1fqq n ASP 4 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.20 177.74 1fqq h PRO 5 N 0.00 0.71 0.00 0.11 0.13 -1.79 -2.97 132.00 128.19 1fqq h PRO 5 Ca -0.28 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1fqq h PRO 5 Cb 0.97 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1fqq h PRO 5 CO 0.45 1.28 0.00 0.28 -0.23 0.00 0.00 178.00 179.78 1fqq n VAL 6 N -3.93 0.00 -0.54 1.56 0.31 -1.23 -3.47 118.33 111.04 1fqq n VAL 6 Ca -0.10 0.28 0.41 0.00 -0.01 0.00 0.00 64.34 64.93 1fqq n VAL 6 Cb 0.81 -1.06 0.64 0.00 -0.91 0.00 0.00 33.84 33.32 1fqq n VAL 6 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1fqq n THR 7 N -1.71 -0.05 -0.48 2.52 -1.04 -1.26 0.17 114.28 112.43 1fqq n THR 7 Ca 0.00 1.28 0.40 0.00 -2.04 0.00 0.00 64.05 63.69 1fqq n THR 7 Cb 0.00 -2.13 0.68 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.04 0.34 -1.83 0.00 4.07 0.16 1.87 115.31 119.96 1fqq h LEU 9 Ca 0.86 -0.97 0.53 0.00 0.08 0.00 0.00 57.88 58.38 1fqq h LEU 9 Cb 2.82 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 44.37 1fqq h LEU 9 CO -0.40 1.28 1.37 1.17 -1.08 0.00 0.00 178.44 180.79 1fqq n LYS 10 N -4.26 0.00 0.00 1.13 3.00 0.53 -4.13 118.16 114.43 1fqq n LYS 10 Ca -0.13 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.23 1fqq n LYS 10 Cb 0.73 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.31 1fqq n LYS 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1fqq n SER 11 N -3.79 0.00 -0.10 3.14 7.64 -0.73 -5.06 113.62 114.72 1fqq n SER 11 Ca 0.41 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.15 1fqq n SER 11 Cb 1.92 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 65.04 1fqq n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fqq n GLY 12 N 0.00 -0.28 0.00 0.23 0.00 0.56 -4.97 105.19 100.73 1fqq n GLY 12 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1fqq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqq n ALA 13 N -3.18 0.00 -1.23 4.61 0.00 0.31 -4.47 120.51 116.55 1fqq n ALA 13 Ca -0.35 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 1fqq n ALA 13 Cb 0.85 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.00 2.69 -0.31 0.00 -5.25 0.33 -4.23 121.20 112.42 1fqq s ILE 14 Ca 0.00 0.22 -0.07 0.00 -0.99 0.00 0.00 60.65 59.82 1fqq s ILE 14 Cb 0.00 -2.73 0.02 0.00 2.95 0.00 0.00 42.46 42.70 1fqq s ILE 14 CO 0.00 -0.29 0.09 0.00 -1.79 0.00 0.00 174.94 172.95 1fqq s HIS 16 N 1.47 -0.24 0.46 0.00 3.76 -0.56 -5.03 115.29 115.15 1fqq s HIS 16 Ca 0.01 0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 55.19 1fqq s HIS 16 Cb -0.18 0.11 -0.09 0.00 1.11 0.00 0.00 32.58 33.53 1fqq s HIS 16 CO 0.03 -0.33 1.04 -1.25 -0.85 0.00 0.00 174.74 173.38 1fqq s PRO 17 N -0.85 3.90 0.00 8.40 0.04 -1.26 -0.49 135.00 144.74 1fqq s PRO 17 Ca -0.09 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1fqq s PRO 17 Cb -0.04 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1fqq s PRO 17 CO 0.03 -0.35 0.00 1.33 0.04 0.00 0.00 177.00 178.05 1fqq n VAL 18 N -0.72 0.00 -1.00 -0.36 0.24 -1.26 -4.53 118.33 110.70 1fqq n VAL 18 Ca 0.08 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.01 1fqq n VAL 18 Cb 0.52 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.65 -4.37 -5.04 6.34 3.72 -1.26 -4.50 117.46 114.01 1fqq n PHE 19 Ca 0.00 0.12 -0.28 0.00 -0.05 0.00 0.00 57.45 57.24 1fqq n PHE 19 Cb 0.00 -1.42 -0.16 0.00 -0.94 0.00 0.00 39.48 36.97 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 2.70 -2.22 -0.88 0.00 -0.04 -1.26 -4.87 135.00 128.42 1fqq n PRO 21 Ca -0.16 -1.90 0.11 0.00 -0.04 0.00 0.00 63.50 61.51 1fqq n PRO 21 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -4.32 -1.97 0.00 0.54 1.74 -1.26 -4.06 116.66 107.34 1fqq n ARG 22 Ca 0.16 1.53 0.00 0.00 -0.77 0.00 0.00 57.85 58.77 1fqq n ARG 22 Cb 0.58 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1fqq n ARG 22 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1fqq n ARG 23 N -3.54 0.85 0.00 5.56 1.74 -1.26 -4.80 116.66 115.21 1fqq n ARG 23 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1fqq n ARG 23 Cb 0.41 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.10 -1.79 -3.63 -1.55 9.36 -1.26 -4.69 117.16 113.71 1fqq n TYR 24 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1fqq n TYR 24 Cb 0.23 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.84 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 -1.51 0.33 0.11 2.98 2.47 -0.64 -4.82 119.74 118.65 1fqq s LYS 25 Ca 0.00 0.99 0.02 0.00 -1.56 0.00 0.00 55.97 55.42 1fqq s LYS 25 Cb 0.00 0.27 -0.04 0.00 -1.46 0.00 0.00 37.83 36.60 1fqq s LYS 25 CO 0.00 -0.29 0.21 1.14 0.16 0.00 0.00 175.35 176.57 1fqq s GLN 26 N 2.61 3.28 0.00 4.03 0.00 -1.26 0.19 119.66 128.50 1fqq s GLN 26 Ca -0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 55.36 54.76 1fqq s GLN 26 Cb -0.12 -2.91 0.00 0.00 0.00 0.00 0.00 33.01 29.98 1fqq s GLN 26 CO -0.13 0.55 0.27 0.44 0.00 0.00 0.00 175.29 176.42 1fqq n ILE 27 N -0.10 0.00 -3.59 3.63 -5.35 0.52 -4.91 119.36 109.57 1fqq n ILE 27 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1fqq n ILE 27 Cb 0.53 0.04 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 4.75 0.00 3.28 0.00 -0.93 -4.94 105.19 107.35 1fqq n GLY 28 Ca -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.26 -0.44 114.28 114.15 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 -0.11 3.11 0.00 0.00 -1.26 -3.51 105.19 103.41 1fqq n GLY 31 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1fqq n GLY 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1fqq n LEU 32 N -2.91 -2.53 -4.57 0.99 -0.00 -1.26 -4.75 117.00 101.96 1fqq n LEU 32 Ca 0.00 -0.09 -0.41 0.00 -0.00 0.00 0.00 56.01 55.50 1fqq n LEU 32 Cb 0.03 -0.72 -0.03 0.00 -0.00 0.00 0.00 43.42 42.71 1fqq n LEU 32 CO 0.00 -2.79 1.32 -2.16 -0.00 0.00 0.00 177.39 173.76 1fqq s PRO 33 N -2.75 3.20 -0.18 1.47 0.04 -1.26 -3.61 135.00 131.91 1fqq s PRO 33 Ca 0.43 0.50 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 1fqq s PRO 33 Cb -0.01 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.35 1fqq s PRO 33 CO 0.60 -2.06 0.16 0.41 0.04 0.00 0.00 177.00 176.15 1fqq n GLY 34 N 5.34 0.24 3.93 0.56 0.00 -1.26 -5.06 105.19 108.93 1fqq n GLY 34 Ca 0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.05 2.02 -0.23 2.61 2.01 -1.24 -4.38 115.64 113.38 1fqq s THR 35 Ca 0.06 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1fqq s THR 35 Cb -0.01 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.61 1fqq s THR 35 CO 0.14 0.00 0.11 -0.54 -0.69 0.00 0.00 174.62 173.64 1fqq s LYS 36 N -5.75 0.13 -0.25 4.92 -0.14 0.36 -4.49 119.74 114.53 1fqq s LYS 36 Ca 0.70 -0.31 -0.17 0.00 -1.36 0.00 0.00 55.97 54.83 1fqq s LYS 36 Cb -0.06 -1.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.58 1fqq s LYS 36 CO 0.51 -0.85 0.47 0.00 -0.76 0.00 0.00 175.35 174.72 1fqq s LYS 39 N 0.17 2.23 0.32 0.00 0.00 0.49 0.12 119.74 123.07 1fqq s LYS 39 Ca 0.05 -2.02 -0.29 0.00 0.00 0.00 0.00 55.97 53.71 1fqq s LYS 39 Cb -0.12 -1.92 -0.10 0.00 0.00 0.00 0.00 37.83 35.68 1fqq s LYS 39 CO 0.00 -0.33 1.38 -1.59 0.00 0.00 0.00 175.35 174.82 1fqq s LYS 40 N -4.02 4.28 0.00 1.78 -2.85 -1.26 -1.63 119.74 116.04 1fqq s LYS 40 Ca 0.31 2.32 0.24 0.00 -1.00 0.00 0.00 55.97 57.84 1fqq s LYS 40 Cb 0.01 -3.05 1.43 0.00 -2.06 0.00 0.00 37.83 34.16 1fqq s LYS 40 CO 0.18 -0.32 1.79 -0.35 0.10 0.00 0.00 175.35 176.75