#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 -0.02 -0.61 5.41 -1.26 -4.84 119.36 118.05 1fqq n ILE 2 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1fqq n ILE 2 Cb 0.00 0.00 -0.01 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 0.00 -0.41 0.00 7.39 0.00 -1.26 -5.14 105.19 105.77 1fqq n GLY 3 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.91 0.00 -0.03 1.61 5.75 -1.26 -4.92 116.55 114.79 1fqq n ASP 4 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.62 1fqq n ASP 4 Cb 0.10 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.02 0.00 0.11 0.13 -1.78 -2.73 132.00 127.71 1fqq h PRO 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1fqq h PRO 5 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1fqq h PRO 5 CO 0.00 0.69 0.00 0.28 -0.23 0.00 0.00 178.00 178.74 1fqq n VAL 6 N -4.75 0.00 -0.23 1.56 0.31 -0.84 -3.43 118.33 110.96 1fqq n VAL 6 Ca -0.09 0.56 0.30 0.00 -0.01 0.00 0.00 64.34 65.10 1fqq n VAL 6 Cb 0.35 -1.46 0.53 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.06 -1.04 2.52 2.02 -1.89 0.56 112.91 115.15 1fqq h THR 7 Ca 0.00 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.55 1fqq h THR 7 Cb 0.00 0.10 -0.16 0.00 -1.74 0.00 0.00 68.15 66.36 1fqq h THR 7 CO 0.00 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.49 1fqq h LEU 9 N 0.19 0.67 -1.68 0.00 3.38 0.01 -1.02 115.31 116.86 1fqq h LEU 9 Ca 0.78 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1fqq h LEU 9 Cb 1.96 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1fqq h LEU 9 CO -0.63 0.90 0.00 0.50 0.09 0.00 0.00 178.44 179.30 1fqq h LYS 10 N 0.43 0.00 -0.10 1.13 1.63 0.29 0.14 116.57 120.08 1fqq h LYS 10 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1fqq h LYS 10 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1fqq h LYS 10 CO 0.04 0.00 0.00 0.45 -3.45 0.00 0.00 179.45 176.49 1fqq n SER 11 N -2.68 1.11 0.00 4.20 2.88 0.15 -4.86 113.62 114.42 1fqq n SER 11 Ca -0.01 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.94 1fqq n SER 11 Cb 0.16 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.02 0.56 3.85 0.46 0.00 0.49 -4.91 105.19 106.67 1fqq n GLY 12 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.25 3.37 0.32 4.61 0.00 -0.46 -4.63 121.76 122.71 1fqq s ALA 13 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1fqq s ALA 13 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1fqq s ALA 13 CO 0.00 0.35 0.48 0.96 0.00 0.00 0.00 175.76 177.55 1fqq s ILE 14 N -1.97 4.94 -0.26 0.00 -4.36 0.28 -4.00 121.20 115.84 1fqq s ILE 14 Ca 0.53 -0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 60.12 1fqq s ILE 14 Cb -0.10 -3.77 -0.02 0.00 1.25 0.00 0.00 42.46 39.81 1fqq s ILE 14 CO 0.19 -0.41 0.07 0.00 0.24 0.00 0.00 174.94 175.03 1fqq s HIS 16 N 1.58 -0.61 -1.21 0.00 -3.43 -0.61 -5.00 115.29 106.01 1fqq s HIS 16 Ca 0.06 0.34 -0.21 0.00 -0.80 0.00 0.00 55.06 54.45 1fqq s HIS 16 Cb -0.15 -0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 30.76 1fqq s HIS 16 CO 0.03 -0.78 1.81 -1.25 -2.00 0.00 0.00 174.74 172.55 1fqq s PRO 17 N 2.44 3.23 0.00 -0.38 0.04 -1.26 -1.15 135.00 137.92 1fqq s PRO 17 Ca 0.10 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 59.66 1fqq s PRO 17 Cb -0.15 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.02 1fqq s PRO 17 CO -0.21 -3.06 0.00 1.33 0.04 0.00 0.00 177.00 175.09 1fqq n VAL 18 N 7.13 0.00 -4.47 -0.36 0.24 -1.26 -4.91 118.33 114.70 1fqq n VAL 18 Ca 0.45 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.54 1fqq n VAL 18 Cb 0.47 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.54 -3.74 6.34 1.16 -1.26 -4.74 117.46 115.76 1fqq n PHE 19 Ca 0.00 -1.83 -0.36 0.00 -1.87 0.00 0.00 57.45 53.39 1fqq n PHE 19 Cb 0.00 -0.15 -0.11 0.00 -1.61 0.00 0.00 39.48 37.62 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fqq s PRO 21 N 0.56 -0.06 0.34 0.00 0.04 -1.26 -4.79 135.00 129.83 1fqq s PRO 21 Ca 0.12 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1fqq s PRO 21 Cb -0.22 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1fqq s PRO 21 CO -0.04 -2.92 0.00 0.54 0.04 0.00 0.00 177.00 174.62 1fqq n ARG 22 N -4.18 -2.43 0.00 4.56 3.00 -1.26 -3.58 116.66 112.77 1fqq n ARG 22 Ca 0.13 1.73 0.00 0.00 -0.01 0.00 0.00 57.85 59.70 1fqq n ARG 22 Cb 0.59 -2.93 0.00 0.00 0.00 0.00 0.00 32.46 30.12 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 -3.80 0.49 -1.56 5.56 1.74 -1.26 -4.77 116.66 113.06 1fqq n ARG 23 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 1fqq n ARG 23 Cb 0.53 -1.05 0.07 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.80 2.95 0.06 -1.55 5.04 -1.23 -4.75 117.35 116.07 1fqq s TYR 24 Ca 0.00 1.26 -0.22 0.00 -2.44 0.00 0.00 57.07 55.67 1fqq s TYR 24 Cb 0.00 -3.03 0.05 0.00 0.35 0.00 0.00 41.96 39.34 1fqq s TYR 24 CO 0.00 -1.55 0.52 0.15 -1.34 0.00 0.00 175.55 173.32 1fqq s LYS 25 N -5.11 1.06 0.00 4.97 1.02 -0.71 -4.84 119.74 116.13 1fqq s LYS 25 Ca 0.60 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1fqq s LYS 25 Cb -0.14 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 1fqq s LYS 25 CO 0.54 -0.40 0.00 0.94 -0.92 0.00 0.00 175.35 175.52 1fqq n GLN 26 N 0.27 0.00 0.00 1.68 0.00 -1.26 -1.70 117.38 116.37 1fqq n GLN 26 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.82 1fqq n GLN 26 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.85 1fqq n GLN 26 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1fqq n ILE 27 N 0.00 0.00 -2.20 1.69 -5.35 -0.90 -5.00 119.36 107.59 1fqq n ILE 27 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1fqq n ILE 27 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 0.91 0.00 3.28 0.00 -0.02 -4.82 105.19 104.54 1fqq n GLY 28 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.18 0.00 0.02 2.61 -1.04 -1.25 0.04 114.28 113.48 1fqq n THR 29 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 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 3.14 4.45 0.15 0.00 0.00 -1.26 -1.99 105.19 109.68 1fqq n GLY 31 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00-10.15 0.99 8.10 -2.00 -3.45 115.31 108.80 1fqq h LEU 32 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.51 1fqq h LEU 32 Cb 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 40.66 40.27 1fqq h LEU 32 CO 0.00 0.53 0.38 -2.16 -4.11 0.00 0.00 178.44 173.08 1fqq s PRO 33 N -3.64 3.54 0.00 0.17 0.04 -1.26 -4.90 135.00 128.95 1fqq s PRO 33 Ca -0.01 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1fqq s PRO 33 Cb 0.12 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1fqq s PRO 33 CO 0.74 -0.63 1.38 0.41 0.04 0.00 0.00 177.00 178.94 1fqq n GLY 34 N -0.78 1.94 3.36 0.56 0.00 -1.26 -4.25 105.19 104.75 1fqq n GLY 34 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1fqq n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fqq n THR 35 N 1.42 0.06 -3.70 2.61 -2.24 -1.26 -4.86 114.28 106.31 1fqq n THR 35 Ca 0.00 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1fqq n THR 35 Cb 0.38 -0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 67.96 1fqq n THR 35 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1fqq s LYS 36 N -3.36 2.66 -0.21 -0.78 -0.14 -0.30 -3.88 119.74 113.73 1fqq s LYS 36 Ca 0.55 -1.18 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 1fqq s LYS 36 Cb -0.21 -3.55 -0.05 0.00 -1.68 0.00 0.00 37.83 32.34 1fqq s LYS 36 CO 0.69 -0.70 0.21 0.00 -0.76 0.00 0.00 175.35 174.80 1fqq s LYS 39 N -2.65 1.87 0.27 0.00 0.00 -0.69 0.10 119.74 118.64 1fqq s LYS 39 Ca 0.18 -1.69 -0.30 0.00 0.00 0.00 0.00 55.97 54.16 1fqq s LYS 39 Cb -0.07 0.45 -0.10 0.00 0.00 0.00 0.00 37.83 38.10 1fqq s LYS 39 CO 0.08 -0.78 1.43 -1.59 0.00 0.00 0.00 175.35 174.49 1fqq s LYS 40 N -3.15 4.27 0.00 1.78 -2.85 -1.26 -1.74 119.74 116.79 1fqq s LYS 40 Ca 0.29 2.31 0.24 0.00 -1.00 0.00 0.00 55.97 57.81 1fqq s LYS 40 Cb -0.00 -3.10 1.43 0.00 -2.06 0.00 0.00 37.83 34.10 1fqq s LYS 40 CO 0.18 -0.40 1.79 -0.35 0.10 0.00 0.00 175.35 176.68