#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkt n GLY 2 N 0.00 -1.80 0.00 7.63 0.00 -1.26 -4.65 105.19 105.11 1bkt n GLY 2 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bkt n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bkt n ILE 3 N -2.71 0.00 -2.22 -0.61 -5.35 -1.20 -4.64 119.36 102.64 1bkt n ILE 3 Ca -0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1bkt n ILE 3 Cb 0.28 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.20 1bkt n ILE 3 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1bkt n ASN 4 N 0.00 -0.28 -4.43 7.28 5.15 -1.26 -5.01 115.26 116.71 1bkt n ASN 4 Ca 0.00 -0.98 -0.21 0.00 -0.60 0.00 0.00 54.58 52.79 1bkt n ASN 4 Cb 0.00 0.12 -0.10 0.00 -0.53 0.00 0.00 39.78 39.27 1bkt n ASN 4 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bkt s VAL 5 N 0.02 1.65 -0.04 3.44 1.01 -1.26 -5.00 120.40 120.22 1bkt s VAL 5 Ca 0.01 -2.13 -0.04 0.00 0.00 0.00 0.00 61.98 59.82 1bkt s VAL 5 Cb 0.06 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1bkt s VAL 5 CO -0.02 -0.29 0.18 -0.75 0.00 0.00 0.00 175.10 174.22 1bkt s LYS 6 N -3.73 3.45 0.32 2.72 2.36 -1.26 -0.53 119.74 123.08 1bkt s LYS 6 Ca 0.30 -0.24 0.06 0.00 -2.55 0.00 0.00 55.97 53.54 1bkt s LYS 6 Cb 0.04 -3.13 -0.06 0.00 -1.05 0.00 0.00 37.83 33.63 1bkt s LYS 6 CO 0.12 0.71 -0.01 0.00 1.55 0.00 0.00 175.35 177.72 1bkt n LYS 8 N -0.70 0.02 -4.44 0.00 5.02 -1.26 -4.73 118.16 112.07 1bkt n LYS 8 Ca -0.04 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 1bkt n LYS 8 Cb 0.65 -0.92 -0.09 0.00 -0.02 0.00 0.00 35.03 34.65 1bkt n LYS 8 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1bkt s HIS 9 N -2.01 1.75 -0.36 2.13 3.76 -1.26 -5.02 115.29 114.27 1bkt s HIS 9 Ca -0.01 -1.30 0.02 0.00 -0.15 0.00 0.00 55.06 53.62 1bkt s HIS 9 Cb 0.00 -1.05 0.20 0.00 1.11 0.00 0.00 32.58 32.84 1bkt s HIS 9 CO 0.02 -0.37 1.10 -1.13 -0.85 0.00 0.00 174.74 173.50 1bkt n SER 10 N -1.15 2.87 0.00 1.40 3.41 -1.26 -2.85 113.62 116.04 1bkt n SER 10 Ca -0.03 -2.37 -0.01 0.00 -0.26 0.00 0.00 58.87 56.21 1bkt n SER 10 Cb 0.65 -0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1bkt n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bkt n GLY 11 N 0.10 -0.02 0.50 5.00 0.00 -1.26 -4.02 105.19 105.49 1bkt n GLY 11 Ca 0.13 -0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.45 1bkt n GLY 11 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bkt h GLN 12 N -0.03 0.00 0.03 1.61 -0.00 -1.93 0.34 115.11 115.13 1bkt h GLN 12 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.27 1bkt h GLN 12 Cb 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.32 1bkt h GLN 12 CO -0.01 0.00 -2.21 0.00 0.00 0.00 0.00 178.83 176.61 1bkt h LEU 14 N 0.02 0.55 0.43 0.00 6.46 -0.50 -0.91 115.31 121.35 1bkt h LEU 14 Ca -0.49 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1bkt h LEU 14 Cb 2.04 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.83 1bkt h LEU 14 CO 0.01 0.39 -0.40 0.11 -0.62 0.00 0.00 178.44 177.93 1bkt h LYS 15 N 0.66 -0.80 -0.36 1.25 6.56 -1.56 -0.89 116.57 121.43 1bkt h LYS 15 Ca 0.20 0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.72 1bkt h LYS 15 Cb -0.02 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 1bkt h LYS 15 CO -0.07 -0.54 -0.28 -1.00 -2.06 0.00 0.00 179.45 175.50 1bkt h PRO 16 N -0.83 0.75 0.72 3.15 0.13 -1.77 -0.47 132.00 133.67 1bkt h PRO 16 Ca -0.04 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1bkt h PRO 16 Cb 0.73 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1bkt h PRO 16 CO -0.05 0.94 -0.46 0.00 -0.23 0.00 0.00 178.00 178.21 1bkt h LYS 18 N -1.11 -0.41 -0.06 0.00 1.63 -1.18 0.59 116.57 116.04 1bkt h LYS 18 Ca -0.09 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1bkt h LYS 18 Cb 0.90 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1bkt h LYS 18 CO 0.08 -0.27 0.10 0.22 -3.45 0.00 0.00 179.45 176.13 1bkt h ASP 19 N -0.43 0.00 -0.00 4.20 3.58 -0.92 0.04 116.42 122.90 1bkt h ASP 19 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1bkt h ASP 19 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1bkt h ASP 19 CO -0.26 0.00 -0.23 0.00 -2.88 0.00 0.00 179.24 175.87 1bkt n ALA 20 N -2.20 3.00 0.00 -0.78 0.00 0.20 -4.94 120.51 115.79 1bkt n ALA 20 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1bkt n ALA 20 Cb 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1bkt n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkt n GLY 21 N 1.37 1.17 0.00 0.00 0.00 -0.01 -5.04 105.19 102.67 1bkt n GLY 21 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1bkt n GLY 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bkt n MET 22 N -0.07 2.31 0.00 1.61 2.81 0.04 -4.94 117.12 118.88 1bkt n MET 22 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1bkt n MET 22 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1bkt n MET 22 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1bkt n ARG 23 N 0.00 0.13 -4.59 0.03 1.74 -1.26 -4.32 116.66 108.39 1bkt n ARG 23 Ca 0.00 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 1bkt n ARG 23 Cb 0.00 -0.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.72 1bkt n ARG 23 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1bkt n PHE 24 N -3.46 0.56 -4.42 -1.55 3.72 -1.23 -4.56 117.46 106.51 1bkt n PHE 24 Ca -0.04 -2.66 -0.24 0.00 -0.05 0.00 0.00 57.45 54.46 1bkt n PHE 24 Cb 0.13 -0.14 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 1bkt n PHE 24 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bkt s GLY 25 N -3.71 1.72 -0.14 1.37 0.00 -1.26 -1.34 107.32 103.96 1bkt s GLY 25 Ca 0.13 -1.72 -0.09 0.00 0.00 0.00 0.00 44.72 43.05 1bkt s GLY 25 CO 0.09 -1.78 0.34 1.25 0.00 0.00 0.00 173.10 173.01 1bkt s LYS 26 N -3.09 0.34 -0.18 2.90 2.20 0.15 -4.64 119.74 117.42 1bkt s LYS 26 Ca 0.24 0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 56.37 1bkt s LYS 26 Cb -0.06 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 1bkt s LYS 26 CO 0.11 -0.13 0.15 0.00 -0.36 0.00 0.00 175.35 175.13 1bkt n ILE 28 N 3.17 0.00 -1.55 0.00 5.41 -0.87 -4.90 119.36 120.62 1bkt n ILE 28 Ca -0.16 0.02 -0.19 0.00 1.00 0.00 0.00 62.75 63.42 1bkt n ILE 28 Cb 0.53 -0.75 0.12 0.00 -0.71 0.00 0.00 39.64 38.83 1bkt n ILE 28 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1bkt n ASN 29 N -1.34 4.45 0.00 4.38 0.23 -1.26 -4.82 115.26 116.90 1bkt n ASN 29 Ca 0.00 -3.77 0.00 0.00 -0.53 0.00 0.00 54.58 50.28 1bkt n ASN 29 Cb 0.00 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 1bkt n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bkt n GLY 30 N -0.98 2.50 3.90 4.83 0.00 -1.26 -5.03 105.19 109.16 1bkt n GLY 30 Ca 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 1bkt n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bkt s LYS 31 N -0.94 2.68 0.19 1.61 2.47 -1.26 -1.18 119.74 123.30 1bkt s LYS 31 Ca 0.00 -1.38 -0.12 0.00 -1.56 0.00 0.00 55.97 52.92 1bkt s LYS 31 Cb 0.00 -2.50 -0.07 0.00 -1.46 0.00 0.00 37.83 33.80 1bkt s LYS 31 CO 0.00 -0.10 0.54 0.00 0.16 0.00 0.00 175.35 175.95 1bkt s ASP 33 N -2.06 1.28 0.27 0.00 -1.08 0.80 -3.21 116.67 112.67 1bkt s ASP 33 Ca 0.43 -0.35 0.10 0.00 -0.52 0.00 0.00 52.55 52.21 1bkt s ASP 33 Cb -0.13 -0.09 -0.04 0.00 -1.46 0.00 0.00 42.92 41.20 1bkt s ASP 33 CO 0.20 0.03 -0.04 0.00 0.52 0.00 0.00 175.17 175.88 1bkt n THR 35 N -0.85 2.68 -1.02 0.00 -1.04 -0.45 -4.23 114.28 109.37 1bkt n THR 35 Ca -0.06 -5.44 -0.30 0.00 -2.04 0.00 0.00 64.05 56.21 1bkt n THR 35 Cb 0.59 -1.40 0.23 0.00 -1.82 0.00 0.00 70.33 67.93 1bkt n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bkt s PRO 36 N -3.24 -1.01 0.00 -2.82 0.04 -1.26 -3.58 135.00 123.13 1bkt s PRO 36 Ca 0.47 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1bkt s PRO 36 Cb 0.27 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 33.20 1bkt s PRO 36 CO -0.12 -3.61 0.00 1.17 0.04 0.00 0.00 177.00 174.48