#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 -2.85 119.36 120.05 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 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 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 4.73 0.82 2.73 7.39 0.00 -1.26 -5.13 105.19 114.47 1fqq n GLY 3 Ca 0.39 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 0.44 -0.04 1.61 3.85 -1.13 -5.00 116.55 116.28 1fqq n ASP 4 Ca 0.00 -2.81 -0.14 0.00 -0.71 0.00 0.00 54.79 51.13 1fqq n ASP 4 Cb 0.00 1.08 -0.11 0.00 -1.35 0.00 0.00 41.12 40.74 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 0.09 0.00 0.11 0.13 -1.88 -2.92 132.00 127.53 1fqq h PRO 5 Ca -0.23 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1fqq h PRO 5 Cb 1.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1fqq h PRO 5 CO 0.36 0.82 0.00 0.28 -0.23 0.00 0.00 178.00 179.23 1fqq n VAL 6 N -4.63 0.00 -0.16 1.56 0.31 -1.25 -3.36 118.33 110.80 1fqq n VAL 6 Ca -0.09 0.30 0.24 0.00 -0.01 0.00 0.00 64.34 64.78 1fqq n VAL 6 Cb 0.43 -0.86 0.37 0.00 -0.91 0.00 0.00 33.84 32.87 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 -1.32 0.00 -0.68 2.52 -1.04 -1.26 0.50 114.28 112.99 1fqq n THR 7 Ca 0.00 1.15 0.52 0.00 -2.04 0.00 0.00 64.05 63.68 1fqq n THR 7 Cb 0.00 -2.07 0.81 0.00 -1.82 0.00 0.00 70.33 67.25 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 0.00 0.33 -1.84 0.00 4.07 -0.11 1.41 115.31 119.17 1fqq h LEU 9 Ca 0.92 -0.89 0.53 0.00 0.08 0.00 0.00 57.88 58.52 1fqq h LEU 9 Cb 3.65 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 45.21 1fqq h LEU 9 CO -0.04 1.43 1.39 0.50 -1.08 0.00 0.00 178.44 180.63 1fqq h LYS 10 N -0.49 0.00 0.00 1.13 1.63 0.37 -3.37 116.57 115.84 1fqq h LYS 10 Ca -0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1fqq h LYS 10 Cb 1.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 1fqq h LYS 10 CO 0.07 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.50 1fqq n SER 11 N -3.82 0.00 -0.06 4.20 7.64 -0.83 -5.06 113.62 115.69 1fqq n SER 11 Ca 0.41 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.22 1fqq n SER 11 Cb 1.93 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 65.07 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 0.30 -4.91 105.19 100.53 1fqq n GLY 12 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.69 0.00 -1.04 4.61 0.00 0.40 -4.44 120.51 117.36 1fqq n ALA 13 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 1fqq n ALA 13 Cb 0.76 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.36 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 2.66 -0.28 0.00 -5.25 0.52 -4.17 121.20 112.68 1fqq s ILE 14 Ca 0.00 0.22 -0.04 0.00 -0.99 0.00 0.00 60.65 59.84 1fqq s ILE 14 Cb 0.00 -2.55 0.03 0.00 2.95 0.00 0.00 42.46 42.88 1fqq s ILE 14 CO 0.00 -0.28 0.01 0.00 -1.79 0.00 0.00 174.94 172.88 1fqq s HIS 16 N 1.37 0.05 -1.19 0.00 3.76 -0.58 -4.99 115.29 113.70 1fqq s HIS 16 Ca -0.01 -0.33 -0.19 0.00 -0.15 0.00 0.00 55.06 54.38 1fqq s HIS 16 Cb -0.18 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 1fqq s HIS 16 CO -0.01 -0.66 1.92 -0.35 -0.85 0.00 0.00 174.74 174.79 1fqq n PRO 17 N 5.28 2.32 0.00 8.40 -0.04 -1.26 -1.06 135.00 148.64 1fqq n PRO 17 Ca -0.06 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.77 1fqq n PRO 17 Cb 0.47 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 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 6.51 0.00 -1.86 0.52 0.24 -1.26 -4.93 118.33 117.54 1fqq n VAL 18 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 1fqq n VAL 18 Cb 0.44 0.00 0.00 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 0.00 -3.45 6.34 3.01 -1.26 -4.75 117.46 117.36 1fqq n PHE 19 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1fqq n PHE 19 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 1fqq n PHE 19 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fqq s PRO 21 N 2.31 -0.16 0.38 0.00 0.04 -1.26 -4.85 135.00 131.45 1fqq s PRO 21 Ca 0.09 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1fqq s PRO 21 Cb -0.15 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1fqq s PRO 21 CO -0.28 -2.99 0.00 0.54 0.04 0.00 0.00 177.00 174.31 1fqq n ARG 22 N -4.22 -2.47 0.00 4.56 3.00 -1.26 -3.87 116.66 112.41 1fqq n ARG 22 Ca 0.14 1.84 0.00 0.00 -0.01 0.00 0.00 57.85 59.81 1fqq n ARG 22 Cb 0.59 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 30.11 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 -3.92 0.86 0.00 5.56 1.74 -1.26 -4.81 116.66 114.83 1fqq n ARG 23 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1fqq n ARG 23 Cb 0.53 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.12 -1.82 -3.57 -1.55 9.36 -1.25 -4.66 117.16 113.78 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 0.24 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.86 1fqq n TYR 24 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1fqq s LYS 25 N -1.65 0.33 0.14 2.98 1.02 -0.51 -4.79 119.74 117.25 1fqq s LYS 25 Ca 0.00 0.92 0.04 0.00 0.02 0.00 0.00 55.97 56.95 1fqq s LYS 25 Cb 0.00 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1fqq s LYS 25 CO 0.00 -0.35 0.13 1.14 -0.92 0.00 0.00 175.35 175.35 1fqq s GLN 26 N 2.60 2.94 0.00 1.68 0.00 -1.26 0.10 119.66 125.72 1fqq s GLN 26 Ca 0.02 -0.79 0.00 0.00 -0.00 0.00 0.00 55.36 54.59 1fqq s GLN 26 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 33.01 30.19 1fqq s GLN 26 CO -0.14 0.51 0.29 0.44 0.00 0.00 0.00 175.29 176.39 1fqq n ILE 27 N -0.11 0.00 -4.04 3.63 -5.35 -0.25 -4.93 119.36 108.31 1fqq n ILE 27 Ca -0.08 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.37 1fqq n ILE 27 Cb 0.54 0.03 -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 3.90 0.00 3.28 0.00 -1.00 -4.97 105.19 106.40 1fqq n GLY 28 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.09 0.00 0.12 2.61 -1.04 -1.25 0.13 114.28 114.75 1fqq n THR 29 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1fqq n THR 29 Cb 0.08 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 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 1.74 5.21 0.12 0.00 0.00 -1.26 -3.90 105.19 107.10 1fqq n GLY 31 Ca 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.53 0.99 8.10 -1.99 -3.39 115.31 114.49 1fqq h LEU 32 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 1fqq h LEU 32 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1fqq h LEU 32 CO 0.00 0.13 0.75 -0.81 -4.11 0.00 0.00 178.44 174.40 1fqq n PRO 33 N -2.79 1.85 -2.97 0.17 -0.04 -1.26 -4.67 135.00 125.30 1fqq n PRO 33 Ca -0.01 -1.03 -0.15 0.00 -0.04 0.00 0.00 63.50 62.26 1fqq n PRO 33 Cb 0.61 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.92 -0.10 3.44 0.55 0.00 -1.26 -4.75 105.19 105.98 1fqq n GLY 34 Ca 0.40 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.18 0.39 -3.95 2.61 -1.04 -1.26 -4.70 114.28 104.14 1fqq n THR 35 Ca -0.04 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 1fqq n THR 35 Cb 0.23 -0.66 -0.14 0.00 -1.82 0.00 0.00 70.33 67.93 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 -3.51 2.38 -0.33 -2.82 -0.14 -0.22 -3.97 119.74 111.13 1fqq s LYS 36 Ca 0.59 -1.29 -0.17 0.00 -1.36 0.00 0.00 55.97 53.75 1fqq s LYS 36 Cb -0.24 -3.10 -0.01 0.00 -1.68 0.00 0.00 37.83 32.80 1fqq s LYS 36 CO 0.65 -0.60 0.45 0.00 -0.76 0.00 0.00 175.35 175.08 1fqq s LYS 39 N -0.22 2.15 0.31 0.00 -2.85 0.29 0.19 119.74 119.61 1fqq s LYS 39 Ca 0.05 -2.24 -0.29 0.00 -1.00 0.00 0.00 55.97 52.49 1fqq s LYS 39 Cb -0.13 -1.66 -0.10 0.00 -2.06 0.00 0.00 37.83 33.88 1fqq s LYS 39 CO 0.02 -0.29 1.38 -1.59 0.10 0.00 0.00 175.35 174.97 1fqq s LYS 40 N -3.89 4.28 0.00 1.78 0.00 -1.26 -1.43 119.74 119.22 1fqq s LYS 40 Ca 0.19 2.31 0.24 0.00 0.00 0.00 0.00 55.97 58.71 1fqq s LYS 40 Cb 0.03 -3.06 1.43 0.00 0.00 0.00 0.00 37.83 36.23 1fqq s LYS 40 CO 0.10 -0.33 1.80 -0.35 0.00 0.00 0.00 175.35 176.57