#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 -2.95 119.36 119.95 1fqq n ILE 2 Ca 0.00 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.18 1fqq n ILE 2 Cb 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 39.64 36.67 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 6.13 0.81 1.26 7.39 0.00 -1.26 -4.79 105.19 114.74 1fqq n GLY 3 Ca 0.42 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 1.47 0.00 1.61 10.43 -1.15 -3.14 116.55 125.77 1fqq n ASP 4 Ca 0.00 -1.61 0.00 0.00 2.57 0.00 0.00 54.79 55.75 1fqq n ASP 4 Cb 0.00 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 42.93 1fqq n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1fqq n PRO 5 N -0.99 0.00 0.33 -0.24 -0.04 -0.70 -3.57 135.00 129.79 1fqq n PRO 5 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1fqq n PRO 5 Cb 0.21 -0.13 -0.08 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.22 -1.80 0.52 2.07 -1.97 -2.67 116.25 112.63 1fqq h VAL 6 Ca 0.00 -0.31 0.54 0.00 0.82 0.00 0.00 66.70 67.75 1fqq h VAL 6 Cb 0.00 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 1fqq h VAL 6 CO 0.00 0.03 1.27 0.74 0.02 0.00 0.00 177.57 179.63 1fqq h THR 7 N -1.09 0.04 -0.55 2.57 2.02 -1.98 2.01 112.91 115.92 1fqq h THR 7 Ca -0.09 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.16 1fqq h THR 7 Cb 0.69 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1fqq h THR 7 CO 0.14 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.27 1fqq h LEU 9 N 0.45 0.23 -2.30 0.00 3.38 0.35 0.25 115.31 117.66 1fqq h LEU 9 Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1fqq h LEU 9 Cb 0.25 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1fqq h LEU 9 CO -0.23 0.55 0.23 0.50 0.09 0.00 0.00 178.44 179.59 1fqq h LYS 10 N 0.20 0.00 -0.30 1.13 1.63 -0.30 1.23 116.57 120.16 1fqq h LYS 10 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1fqq h LYS 10 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1fqq h LYS 10 CO 0.05 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.48 1fqq n SER 11 N -2.95 3.71 -0.00 4.20 7.64 -0.68 -4.91 113.62 120.62 1fqq n SER 11 Ca -0.02 -2.75 -0.00 0.00 1.01 0.00 0.00 58.87 57.11 1fqq n SER 11 Cb 0.29 -0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.19 0.39 3.73 0.23 0.00 0.42 -4.77 105.19 105.01 1fqq n GLY 12 Ca 0.19 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.78 3.29 0.28 4.61 0.00 0.78 -4.76 121.76 124.19 1fqq s ALA 13 Ca 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1fqq s ALA 13 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1fqq s ALA 13 CO 0.00 -0.04 0.51 0.96 0.00 0.00 0.00 175.76 177.19 1fqq s ILE 14 N -0.24 5.09 -0.27 0.00 -4.36 -0.19 -2.65 121.20 118.58 1fqq s ILE 14 Ca 0.47 -0.20 -0.07 0.00 -0.26 0.00 0.00 60.65 60.58 1fqq s ILE 14 Cb -0.25 -3.77 -0.02 0.00 1.25 0.00 0.00 42.46 39.67 1fqq s ILE 14 CO 0.32 -0.36 0.08 0.00 0.24 0.00 0.00 174.94 175.22 1fqq s HIS 16 N 1.58 -0.03 -1.21 0.00 -3.43 -0.51 -5.01 115.29 106.68 1fqq s HIS 16 Ca 0.05 -0.19 -0.20 0.00 -0.80 0.00 0.00 55.06 53.92 1fqq s HIS 16 Cb -0.16 -0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 30.39 1fqq s HIS 16 CO 0.03 -0.64 1.89 -0.35 -2.00 0.00 0.00 174.74 173.67 1fqq n PRO 17 N 5.29 2.37 0.00 -0.38 -0.04 -1.26 -1.20 135.00 139.78 1fqq n PRO 17 Ca -0.06 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.66 1fqq n PRO 17 Cb 0.48 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 6.75 0.00 -3.93 0.52 0.24 -1.26 -4.92 118.33 115.73 1fqq n VAL 18 Ca 0.48 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.64 1fqq n VAL 18 Cb 0.45 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.48 -3.82 6.34 3.72 -1.26 -4.68 117.46 117.28 1fqq n PHE 19 Ca 0.00 -1.18 -0.32 0.00 -0.05 0.00 0.00 57.45 55.90 1fqq n PHE 19 Cb 0.00 -0.20 -0.11 0.00 -0.94 0.00 0.00 39.48 38.23 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 -0.76 0.69 0.14 0.00 0.04 -1.26 -4.84 135.00 129.02 1fqq s PRO 21 Ca 0.21 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1fqq s PRO 21 Cb -0.15 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1fqq s PRO 21 CO -0.08 -2.47 0.00 0.54 0.04 0.00 0.00 177.00 175.04 1fqq n ARG 22 N -3.92 -0.82 0.00 4.56 5.12 -1.26 -4.06 116.66 116.28 1fqq n ARG 22 Ca 0.09 0.64 0.01 0.00 -1.93 0.00 0.00 57.85 56.65 1fqq n ARG 22 Cb 0.59 -0.97 0.04 0.00 -1.16 0.00 0.00 32.46 30.96 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 -2.85 0.43 -1.72 5.56 1.74 -1.26 -4.75 116.66 113.81 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 0.17 -1.05 0.06 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.00 3.16 0.01 -1.55 5.04 -1.26 -4.23 117.35 116.52 1fqq s TYR 24 Ca 0.02 1.18 -0.23 0.00 -2.44 0.00 0.00 57.07 55.60 1fqq s TYR 24 Cb 0.01 -3.01 0.05 0.00 0.35 0.00 0.00 41.96 39.36 1fqq s TYR 24 CO 0.02 -1.32 0.52 -1.59 -1.34 0.00 0.00 175.55 171.83 1fqq s LYS 25 N -5.21 0.97 0.00 4.97 -2.85 0.46 -4.81 119.74 113.27 1fqq s LYS 25 Ca 0.59 -0.09 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 1fqq s LYS 25 Cb -0.13 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1fqq s LYS 25 CO 0.53 -0.32 0.00 0.94 0.10 0.00 0.00 175.35 176.60 1fqq n GLN 26 N 0.71 0.00 -1.22 1.78 -0.06 -1.26 0.33 117.38 117.67 1fqq n GLN 26 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.81 1fqq n GLN 26 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 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 -0.36 -4.26 1.69 5.41 -0.69 -4.98 119.36 116.16 1fqq n ILE 27 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 1fqq n ILE 27 Cb 0.00 -1.92 -0.16 0.00 -0.71 0.00 0.00 39.64 36.84 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 -2.55 0.52 0.45 7.39 0.00 -0.82 -4.91 107.32 107.39 1fqq s GLY 28 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.54 1fqq s GLY 28 CO 0.00 0.35 0.19 2.41 0.00 0.00 0.00 173.10 176.05 1fqq n THR 29 N 3.96 0.00 0.00 0.90 -1.04 -1.19 0.20 114.28 117.12 1fqq n THR 29 Ca -0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1fqq n THR 29 Cb 0.51 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 3.20 0.00 0.00 -1.26 -1.71 105.19 105.31 1fqq n GLY 31 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.85 -2.59 -4.70 0.99 -0.00 -1.26 -4.85 117.00 103.73 1fqq n LEU 32 Ca 0.00 0.07 -0.42 0.00 -0.00 0.00 0.00 56.01 55.66 1fqq n LEU 32 Cb 0.00 -0.89 -0.03 0.00 -0.00 0.00 0.00 43.42 42.50 1fqq n LEU 32 CO 0.00 -3.63 0.89 -2.16 -0.00 0.00 0.00 177.39 172.49 1fqq s PRO 33 N -2.93 4.41 0.00 1.47 0.04 -1.26 -3.30 135.00 133.43 1fqq s PRO 33 Ca 0.49 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1fqq s PRO 33 Cb -0.10 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1fqq s PRO 33 CO 0.69 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.84 1fqq n GLY 34 N 3.25 0.92 3.85 0.56 0.00 -1.26 -5.05 105.19 107.46 1fqq n GLY 34 Ca 0.09 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1fqq n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fqq s THR 35 N -2.92 4.59 -0.28 2.61 -4.23 -1.21 -4.29 115.64 109.91 1fqq s THR 35 Ca 0.00 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1fqq s THR 35 Cb 0.00 -3.70 0.08 0.00 1.34 0.00 0.00 72.50 70.22 1fqq s THR 35 CO 0.00 -0.58 0.04 -0.54 -0.54 0.00 0.00 174.62 172.99 1fqq s LYS 36 N -3.86 1.12 -0.16 3.99 -0.14 -0.34 -3.80 119.74 116.54 1fqq s LYS 36 Ca 0.57 -1.11 -0.09 0.00 -1.36 0.00 0.00 55.97 53.98 1fqq s LYS 36 Cb -0.10 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.60 1fqq s LYS 36 CO 0.29 -0.82 0.15 0.00 -0.76 0.00 0.00 175.35 174.21 1fqq n LYS 39 N 0.76 0.82 -2.12 0.00 5.02 0.15 -1.02 118.16 121.77 1fqq n LYS 39 Ca -0.16 -1.66 -0.37 0.00 -2.02 0.00 0.00 58.31 54.10 1fqq n LYS 39 Cb 0.53 0.86 0.01 0.00 -0.02 0.00 0.00 35.03 36.41 1fqq n LYS 39 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1fqq s LYS 40 N -2.75 3.49 0.00 1.97 -2.85 -1.25 0.17 119.74 118.51 1fqq s LYS 40 Ca 0.09 1.87 0.24 0.00 -1.00 0.00 0.00 55.97 57.18 1fqq s LYS 40 Cb 0.00 -2.28 1.43 0.00 -2.06 0.00 0.00 37.83 34.92 1fqq s LYS 40 CO 0.06 -0.80 1.80 -0.35 0.10 0.00 0.00 175.35 176.16