#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 -4.75 119.36 118.15 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 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 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 0.32 -0.31 1.48 7.39 0.00 -1.26 -5.00 105.19 107.81 1fqq n GLY 3 Ca 0.04 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.22 0.00 1.61 8.00 -1.26 -4.82 116.55 120.30 1fqq n ASP 4 Ca 0.00 -1.99 0.11 0.00 0.71 0.00 0.00 54.79 53.61 1fqq n ASP 4 Cb 0.00 0.65 0.50 0.00 -0.02 0.00 0.00 41.12 42.24 1fqq n ASP 4 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1fqq n PRO 5 N -0.34 0.09 0.03 -0.24 -0.04 -1.26 -1.79 135.00 131.45 1fqq n PRO 5 Ca 0.01 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1fqq n PRO 5 Cb 0.28 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1fqq n PRO 5 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1fqq n VAL 6 N -1.44 0.86 -0.25 0.52 0.31 -1.26 -4.31 118.33 112.76 1fqq n VAL 6 Ca 0.07 0.28 0.18 0.00 -0.01 0.00 0.00 64.34 64.86 1fqq n VAL 6 Cb 0.23 -1.46 0.49 0.00 -0.91 0.00 0.00 33.84 32.19 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 -0.06 0.69 -0.50 2.52 2.02 -1.96 0.88 112.91 116.51 1fqq h THR 7 Ca 0.00 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1fqq h THR 7 Cb 0.06 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1fqq h THR 7 CO 0.00 0.08 0.21 0.00 0.37 0.00 0.00 175.52 176.18 1fqq h LEU 9 N 0.70 0.42 -1.85 0.00 3.38 0.35 2.34 115.31 120.65 1fqq h LEU 9 Ca 0.17 -0.85 0.54 0.00 0.09 0.00 0.00 57.88 57.82 1fqq h LEU 9 Cb 0.13 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1fqq h LEU 9 CO -0.02 1.23 1.40 1.17 0.09 0.00 0.00 178.44 182.31 1fqq n LYS 10 N -4.26 0.00 0.00 1.13 3.00 0.13 -4.17 118.16 114.00 1fqq n LYS 10 Ca -0.12 1.07 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 1fqq n LYS 10 Cb 0.69 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 33.21 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 -3.82 0.00 -0.07 3.14 7.64 -1.13 -5.06 113.62 114.33 1fqq n SER 11 Ca 0.42 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.21 1fqq n SER 11 Cb 1.96 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 65.08 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 3.67 0.23 0.00 0.71 -4.98 105.19 104.54 1fqq n GLY 12 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.28 -2.33 0.81 4.61 0.00 0.34 -4.52 121.76 118.38 1fqq s ALA 13 Ca -0.16 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 1fqq s ALA 13 Cb 0.05 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.67 1fqq s ALA 13 CO 0.36 -1.07 1.11 0.96 0.00 0.00 0.00 175.76 177.12 1fqq s ILE 14 N -2.28 2.86 -0.30 0.00 -5.25 0.44 -4.29 121.20 112.39 1fqq s ILE 14 Ca 0.17 0.28 -0.05 0.00 -0.99 0.00 0.00 60.65 60.05 1fqq s ILE 14 Cb 0.04 -3.08 0.02 0.00 2.95 0.00 0.00 42.46 42.39 1fqq s ILE 14 CO -0.04 -0.37 0.06 0.00 -1.79 0.00 0.00 174.94 172.80 1fqq s HIS 16 N 1.43 -0.26 0.50 0.00 3.76 -0.56 -5.02 115.29 115.13 1fqq s HIS 16 Ca 0.01 0.52 -0.20 0.00 -0.15 0.00 0.00 55.06 55.24 1fqq s HIS 16 Cb -0.18 0.12 -0.08 0.00 1.11 0.00 0.00 32.58 33.55 1fqq s HIS 16 CO 0.01 -0.32 1.04 -1.25 -0.85 0.00 0.00 174.74 173.37 1fqq s PRO 17 N -0.79 3.76 0.00 8.40 0.04 -1.26 -0.66 135.00 144.49 1fqq s PRO 17 Ca -0.09 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1fqq s PRO 17 Cb -0.04 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1fqq s PRO 17 CO 0.03 -0.46 0.00 1.33 0.04 0.00 0.00 177.00 177.94 1fqq n VAL 18 N -1.07 0.00 -0.94 -0.36 0.24 -1.26 -4.52 118.33 110.42 1fqq n VAL 18 Ca 0.09 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.05 1fqq n VAL 18 Cb 0.53 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 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 -4.89 -5.12 6.34 3.72 -1.26 -4.50 117.46 111.75 1fqq n PHE 19 Ca 0.00 -0.03 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 1fqq n PHE 19 Cb 0.00 -1.35 -0.16 0.00 -0.94 0.00 0.00 39.48 37.04 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 2.61 -1.88 -1.01 0.00 -0.04 -1.26 -4.88 135.00 128.54 1fqq n PRO 21 Ca -0.16 -1.54 0.13 0.00 -0.04 0.00 0.00 63.50 61.88 1fqq n PRO 21 Cb 0.52 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 -3.74 -2.26 0.00 0.54 3.00 -1.26 -4.05 116.66 108.89 1fqq n ARG 22 Ca 0.13 1.78 0.00 0.00 -0.01 0.00 0.00 57.85 59.75 1fqq n ARG 22 Cb 0.47 -2.67 0.00 0.00 0.00 0.00 0.00 32.46 30.27 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 -3.70 0.83 0.00 5.56 1.74 -1.26 -4.80 116.66 115.04 1fqq n ARG 23 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1fqq n ARG 23 Cb 0.47 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.09 -1.52 -3.54 -1.55 9.36 -1.26 -4.66 117.16 114.08 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 0.21 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 -1.22 0.34 0.23 2.98 2.47 -0.59 -4.79 119.74 119.16 1fqq s LYS 25 Ca 0.00 0.89 0.06 0.00 -1.56 0.00 0.00 55.97 55.35 1fqq s LYS 25 Cb 0.00 0.10 -0.03 0.00 -1.46 0.00 0.00 37.83 36.44 1fqq s LYS 25 CO 0.00 -0.38 0.29 1.14 0.16 0.00 0.00 175.35 176.56 1fqq s GLN 26 N 2.60 3.24 0.00 4.03 0.00 -1.26 0.17 119.66 128.45 1fqq s GLN 26 Ca 0.04 -0.85 0.00 0.00 -0.00 0.00 0.00 55.36 54.54 1fqq s GLN 26 Cb -0.13 -2.77 0.00 0.00 0.00 0.00 0.00 33.01 30.10 1fqq s GLN 26 CO -0.14 0.43 0.00 0.44 0.00 0.00 0.00 175.29 176.02 1fqq n ILE 27 N -1.22 0.00 -4.04 3.63 -5.35 0.53 -4.89 119.36 108.01 1fqq n ILE 27 Ca -0.08 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.37 1fqq n ILE 27 Cb 0.57 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.46 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 3.98 0.00 3.28 0.00 -0.97 -4.92 105.19 106.56 1fqq n GLY 28 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.08 0.00 0.00 2.61 -1.04 -1.26 0.18 114.28 114.68 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 0.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 1.55 1.38 2.98 0.00 0.00 -1.26 -4.20 105.19 105.63 1fqq n GLY 31 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -1.79 -4.55 0.99 -0.00 -1.26 -4.72 117.00 105.67 1fqq n LEU 32 Ca 0.00 -0.23 -0.39 0.00 -0.00 0.00 0.00 56.01 55.39 1fqq n LEU 32 Cb 0.00 -0.69 -0.03 0.00 -0.00 0.00 0.00 43.42 42.70 1fqq n LEU 32 CO 0.00 -2.86 1.39 -2.16 -0.00 0.00 0.00 177.39 173.76 1fqq s PRO 33 N -2.95 2.94 -0.13 1.47 0.04 -1.26 -3.75 135.00 131.36 1fqq s PRO 33 Ca 0.30 0.01 -0.00 0.00 0.04 0.00 0.00 61.00 61.35 1fqq s PRO 33 Cb -0.03 -4.46 -0.00 0.00 0.04 0.00 0.00 34.50 30.05 1fqq s PRO 33 CO 0.33 -2.50 0.12 0.41 0.04 0.00 0.00 177.00 175.40 1fqq n GLY 34 N 5.79 -0.32 3.95 0.56 0.00 -1.26 -5.04 105.19 108.87 1fqq n GLY 34 Ca 0.16 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.01 2.17 -0.25 2.61 2.01 -1.25 -4.21 115.64 113.72 1fqq s THR 35 Ca 0.01 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1fqq s THR 35 Cb -0.00 -2.86 0.10 0.00 0.01 0.00 0.00 72.50 69.75 1fqq s THR 35 CO 0.13 0.00 0.21 -0.54 -0.69 0.00 0.00 174.62 173.73 1fqq s LYS 36 N -5.38 0.22 -0.26 4.92 -0.14 0.17 -4.55 119.74 114.71 1fqq s LYS 36 Ca 0.66 -0.09 -0.17 0.00 -1.36 0.00 0.00 55.97 55.01 1fqq s LYS 36 Cb -0.07 -1.08 -0.03 0.00 -1.68 0.00 0.00 37.83 34.96 1fqq s LYS 36 CO 0.47 -0.85 0.46 0.00 -0.76 0.00 0.00 175.35 174.66 1fqq s LYS 39 N 0.27 2.20 0.38 0.00 0.00 0.46 0.17 119.74 123.21 1fqq s LYS 39 Ca 0.08 -2.03 -0.27 0.00 0.00 0.00 0.00 55.97 53.75 1fqq s LYS 39 Cb -0.11 -1.87 -0.11 0.00 0.00 0.00 0.00 37.83 35.73 1fqq s LYS 39 CO -0.01 -0.27 1.30 1.17 0.00 0.00 0.00 175.35 177.54 1fqq n LYS 40 N -1.33 2.09 0.00 1.78 4.81 -1.26 -1.54 118.16 122.70 1fqq n LYS 40 Ca -0.06 0.74 0.12 0.00 -0.87 0.00 0.00 58.31 58.24 1fqq n LYS 40 Cb 0.65 -2.38 0.71 0.00 0.02 0.00 0.00 35.03 34.03 1fqq n LYS 40 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22