#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 -4.71 119.36 118.19 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 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 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 2.75 -0.06 3.08 7.39 0.00 -1.26 -5.10 105.19 111.98 1fqq n GLY 3 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.30 -1.07 -0.02 1.61 5.75 -1.26 -4.92 116.55 114.33 1fqq n ASP 4 Ca 0.00 -1.36 -0.15 0.00 -0.01 0.00 0.00 54.79 53.27 1fqq n ASP 4 Cb 0.00 1.69 -0.11 0.00 -1.03 0.00 0.00 41.12 41.67 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 0.22 0.00 0.11 0.13 -1.82 -2.88 132.00 127.76 1fqq h PRO 5 Ca -0.18 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1fqq h PRO 5 Cb 0.92 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1fqq h PRO 5 CO 0.26 0.91 0.00 0.28 -0.23 0.00 0.00 178.00 179.22 1fqq n VAL 6 N -4.48 0.00 -0.53 1.56 0.31 -1.24 -3.57 118.33 110.37 1fqq n VAL 6 Ca -0.09 0.38 0.44 0.00 -0.01 0.00 0.00 64.34 65.06 1fqq n VAL 6 Cb 0.51 -1.19 0.68 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.75 0.00 -0.59 2.52 -1.04 -1.26 0.93 114.28 113.08 1fqq n THR 7 Ca 0.00 1.38 0.47 0.00 -2.04 0.00 0.00 64.05 63.86 1fqq n THR 7 Cb 0.00 -2.35 0.76 0.00 -1.82 0.00 0.00 70.33 66.92 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 0.01 0.08 -1.54 0.00 3.38 0.40 2.21 115.31 119.85 1fqq h LEU 9 Ca 0.89 -0.89 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1fqq h LEU 9 Cb 3.29 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 43.97 1fqq h LEU 9 CO -0.19 0.97 1.00 0.50 0.09 0.00 0.00 178.44 180.80 1fqq h LYS 10 N -0.79 0.00 0.00 1.13 1.63 0.25 -3.37 116.57 115.42 1fqq h LYS 10 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1fqq h LYS 10 Cb 1.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1fqq h LYS 10 CO 0.02 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.45 1fqq n SER 11 N -3.57 0.00 0.00 4.20 7.64 -0.49 -5.08 113.62 116.33 1fqq n SER 11 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1fqq n SER 11 Cb 1.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 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 -0.08 0.00 0.23 0.00 0.68 -4.44 105.19 101.58 1fqq n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.17 0.00 -1.84 4.61 0.00 0.24 -4.16 120.51 117.18 1fqq n ALA 13 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1fqq n ALA 13 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 4.36 -0.26 0.00 -4.36 0.29 -4.11 121.20 115.11 1fqq s ILE 14 Ca 0.00 0.77 -0.06 0.00 -0.26 0.00 0.00 60.65 61.09 1fqq s ILE 14 Cb 0.00 -3.73 -0.01 0.00 1.25 0.00 0.00 42.46 39.97 1fqq s ILE 14 CO 0.00 -1.00 0.05 0.00 0.24 0.00 0.00 174.94 174.23 1fqq s HIS 16 N 1.54 -0.36 0.47 0.00 -3.43 -0.72 -5.00 115.29 107.79 1fqq s HIS 16 Ca 0.05 0.88 -0.21 0.00 -0.80 0.00 0.00 55.06 54.98 1fqq s HIS 16 Cb -0.16 0.12 -0.09 0.00 -1.43 0.00 0.00 32.58 31.03 1fqq s HIS 16 CO 0.02 -0.18 1.04 -1.25 -2.00 0.00 0.00 174.74 172.37 1fqq s PRO 17 N 0.23 3.86 1.21 -0.38 0.04 -1.26 -1.14 135.00 137.55 1fqq s PRO 17 Ca -0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1fqq s PRO 17 Cb -0.03 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1fqq s PRO 17 CO -0.00 -0.39 0.00 1.33 0.04 0.00 0.00 177.00 177.98 1fqq n VAL 18 N -0.84 0.00 -0.18 -0.36 0.24 -1.26 -4.89 118.33 111.04 1fqq n VAL 18 Ca 0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 1fqq n VAL 18 Cb 0.52 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.37 -1.66 -3.71 6.34 1.16 -1.26 -4.30 117.46 113.66 1fqq n PHE 19 Ca 0.00 -0.04 -0.37 0.00 -1.87 0.00 0.00 57.45 55.16 1fqq n PHE 19 Cb 0.00 -0.51 -0.12 0.00 -1.61 0.00 0.00 39.48 37.24 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 1.62 0.84 0.55 0.00 0.04 -1.26 -4.89 135.00 131.90 1fqq s PRO 21 Ca 0.06 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1fqq s PRO 21 Cb -0.16 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1fqq s PRO 21 CO 0.05 -2.38 0.00 0.54 0.04 0.00 0.00 177.00 175.26 1fqq n ARG 22 N -3.87 -3.29 0.00 4.56 5.12 -1.26 -3.90 116.66 114.02 1fqq n ARG 22 Ca 0.08 2.54 0.00 0.00 -1.93 0.00 0.00 57.85 58.54 1fqq n ARG 22 Cb 0.59 -3.89 0.00 0.00 -1.16 0.00 0.00 32.46 28.00 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 -4.38 0.87 0.00 5.56 1.74 -1.26 -4.80 116.66 114.39 1fqq n ARG 23 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1fqq n ARG 23 Cb 0.70 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.53 -3.34 -1.55 9.36 -1.25 -4.84 117.16 115.10 1fqq n TYR 24 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1fqq n TYR 24 Cb 0.23 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.87 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 0.00 0.37 0.16 2.98 2.20 -0.18 -4.79 119.74 120.47 1fqq s LYS 25 Ca 0.00 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1fqq s LYS 25 Cb 0.00 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 1fqq s LYS 25 CO 0.00 -0.71 0.30 1.14 -0.36 0.00 0.00 175.35 175.71 1fqq s GLN 26 N 2.56 3.44 0.00 4.03 0.00 -1.26 0.86 119.66 129.29 1fqq s GLN 26 Ca 0.12 -0.59 0.00 0.00 -0.00 0.00 0.00 55.36 54.89 1fqq s GLN 26 Cb -0.15 -2.95 0.00 0.00 0.00 0.00 0.00 33.01 29.91 1fqq s GLN 26 CO -0.19 0.51 0.24 0.44 0.00 0.00 0.00 175.29 176.29 1fqq n ILE 27 N -0.62 0.00 -3.73 3.63 -6.64 -0.47 -4.93 119.36 106.60 1fqq n ILE 27 Ca -0.07 0.00 -0.00 0.00 -1.77 0.00 0.00 62.75 60.91 1fqq n ILE 27 Cb 0.54 0.03 -0.00 0.00 -1.44 0.00 0.00 39.64 38.77 1fqq n ILE 27 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1fqq n GLY 28 N 0.00 3.46 0.00 3.28 0.00 -0.99 -4.71 105.19 106.23 1fqq n GLY 28 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.01 0.00 0.00 2.61 -1.04 -1.26 -0.32 114.28 114.26 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 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 2.03 4.78 0.05 0.00 0.00 -1.26 -3.70 105.19 107.09 1fqq n GLY 31 Ca 0.00 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.40 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 0.65 -2.50 0.99 -0.00 -1.26 -4.35 117.00 110.53 1fqq n LEU 32 Ca 0.00 0.11 -0.16 0.00 -0.00 0.00 0.00 56.01 55.96 1fqq n LEU 32 Cb 0.00 -0.13 -0.09 0.00 -0.00 0.00 0.00 43.42 43.19 1fqq n LEU 32 CO 0.00 -0.01 1.84 -0.81 -0.00 0.00 0.00 177.39 178.41 1fqq n PRO 33 N -2.06 1.94 -3.13 1.47 -0.04 -1.26 -4.64 135.00 127.27 1fqq n PRO 33 Ca 0.02 -1.10 -0.23 0.00 -0.04 0.00 0.00 63.50 62.16 1fqq n PRO 33 Cb 0.44 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.98 -0.21 3.36 0.55 0.00 -1.26 -4.77 105.19 105.84 1fqq n GLY 34 Ca 0.41 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.41 0.00 -3.82 2.61 -1.04 -1.26 -4.52 114.28 103.84 1fqq n THR 35 Ca 0.06 -0.25 -0.27 0.00 -2.04 0.00 0.00 64.05 61.55 1fqq n THR 35 Cb 0.24 -0.64 -0.17 0.00 -1.82 0.00 0.00 70.33 67.95 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 -3.60 1.05 -0.32 -2.82 -0.14 -0.29 -4.36 119.74 109.26 1fqq s LYS 36 Ca 0.57 -0.34 -0.12 0.00 -1.36 0.00 0.00 55.97 54.72 1fqq s LYS 36 Cb -0.17 -1.78 -0.03 0.00 -1.68 0.00 0.00 37.83 34.17 1fqq s LYS 36 CO 0.66 -0.45 0.22 0.00 -0.76 0.00 0.00 175.35 175.02 1fqq s LYS 39 N -0.74 1.42 0.23 0.00 2.36 0.25 0.10 119.74 123.35 1fqq s LYS 39 Ca 0.11 -1.66 -0.30 0.00 -2.55 0.00 0.00 55.97 51.57 1fqq s LYS 39 Cb -0.10 -1.17 -0.10 0.00 -1.05 0.00 0.00 37.83 35.40 1fqq s LYS 39 CO 0.00 0.15 1.48 -1.59 1.55 0.00 0.00 175.35 176.94 1fqq s LYS 40 N -3.66 4.25 0.00 4.03 -2.85 -1.26 -1.01 119.74 119.24 1fqq s LYS 40 Ca 0.25 2.32 0.24 0.00 -1.00 0.00 0.00 55.97 57.78 1fqq s LYS 40 Cb 0.00 -3.12 1.44 0.00 -2.06 0.00 0.00 37.83 34.09 1fqq s LYS 40 CO 0.09 -0.48 1.80 -0.35 0.10 0.00 0.00 175.35 176.51