#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 -1.30 0.00 7.63 0.00 -1.26 -4.71 105.19 105.55 1bkt n GLY 2 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.09 0.00 -2.38 -0.61 -5.35 -1.20 -4.62 119.36 102.11 1bkt n ILE 3 Ca 0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.48 1bkt n ILE 3 Cb 0.45 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.37 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 -0.30 -4.44 7.28 5.15 -1.26 -5.01 115.26 116.67 1bkt n ASN 4 Ca 0.00 -1.12 -0.22 0.00 -0.60 0.00 0.00 54.58 52.64 1bkt n ASN 4 Cb 0.00 0.14 -0.10 0.00 -0.53 0.00 0.00 39.78 39.28 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 1.69 -0.01 3.44 1.01 -1.26 -5.01 120.40 120.29 1bkt s VAL 5 Ca 0.02 -2.13 -0.03 0.00 0.00 0.00 0.00 61.98 59.84 1bkt s VAL 5 Cb 0.08 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1bkt s VAL 5 CO -0.02 -0.28 0.20 -0.75 0.00 0.00 0.00 175.10 174.24 1bkt s LYS 6 N -3.72 3.46 0.32 2.72 2.47 -1.26 -1.00 119.74 122.73 1bkt s LYS 6 Ca 0.30 -0.28 0.05 0.00 -1.56 0.00 0.00 55.97 54.48 1bkt s LYS 6 Cb 0.04 -3.09 -0.06 0.00 -1.46 0.00 0.00 37.83 33.25 1bkt s LYS 6 CO 0.12 0.67 0.02 0.00 0.16 0.00 0.00 175.35 176.32 1bkt n LYS 8 N -0.70 0.00 -4.49 0.00 5.02 -1.26 -4.80 118.16 111.93 1bkt n LYS 8 Ca -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 1bkt n LYS 8 Cb 0.66 -0.81 -0.08 0.00 -0.02 0.00 0.00 35.03 34.77 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 -1.95 1.78 -0.26 2.13 3.76 -1.26 -5.02 115.29 114.47 1bkt s HIS 9 Ca 0.00 -1.38 0.01 0.00 -0.15 0.00 0.00 55.06 53.53 1bkt s HIS 9 Cb 0.00 -1.08 0.27 0.00 1.11 0.00 0.00 32.58 32.88 1bkt s HIS 9 CO 0.00 -0.42 1.70 0.43 -0.85 0.00 0.00 174.74 175.60 1bkt n SER 10 N -1.44 4.79 0.01 1.40 7.64 -1.26 -2.99 113.62 121.77 1bkt n SER 10 Ca -0.04 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1bkt n SER 10 Cb 0.64 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1bkt n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bkt n GLY 11 N 0.01 -0.02 0.38 0.23 0.00 -1.26 -4.31 105.19 100.23 1bkt n GLY 11 Ca 0.29 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.00 0.01 1.61 -0.00 -1.89 0.14 115.11 114.98 1bkt h GLN 12 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.65 58.24 1bkt h GLN 12 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.04 1bkt h GLN 12 CO 0.00 0.00 -2.41 0.00 0.00 0.00 0.00 178.83 176.42 1bkt h LEU 14 N -0.41 0.32 0.70 0.00 6.46 -1.13 -0.40 115.31 120.84 1bkt h LEU 14 Ca -0.60 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 1bkt h LEU 14 Cb 1.78 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 41.74 1bkt h LEU 14 CO -0.21 0.19 -0.34 0.11 -0.62 0.00 0.00 178.44 177.57 1bkt h LYS 15 N 0.48 -0.90 -0.18 1.25 1.57 -1.48 -1.11 116.57 116.20 1bkt h LYS 15 Ca 0.32 0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1bkt h LYS 15 Cb 0.36 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1bkt h LYS 15 CO -0.29 -0.60 -0.31 -1.00 -0.57 0.00 0.00 179.45 176.69 1bkt h PRO 16 N -0.94 0.34 0.58 3.15 0.13 -1.75 -0.59 132.00 132.93 1bkt h PRO 16 Ca -0.10 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1bkt h PRO 16 Cb 0.72 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1bkt h PRO 16 CO 0.16 0.62 -0.29 0.00 -0.23 0.00 0.00 178.00 178.25 1bkt h LYS 18 N -0.80 0.25 -0.09 0.00 2.10 -1.23 0.46 116.57 117.27 1bkt h LYS 18 Ca -0.08 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1bkt h LYS 18 Cb 0.62 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1bkt h LYS 18 CO 0.12 0.17 0.11 0.22 -2.00 0.00 0.00 179.45 178.07 1bkt h ASP 19 N 0.26 0.00 -0.00 7.07 3.58 -1.00 0.58 116.42 126.91 1bkt h ASP 19 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1bkt h ASP 19 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1bkt h ASP 19 CO -0.16 0.00 -0.22 0.00 -2.88 0.00 0.00 179.24 175.98 1bkt n ALA 20 N -2.28 2.97 0.00 -0.78 0.00 0.18 -4.94 120.51 115.67 1bkt n ALA 20 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1bkt n ALA 20 Cb 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.36 0.99 0.00 0.00 0.00 0.18 -5.04 105.19 102.68 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 0.00 1.96 0.00 1.61 2.81 -0.01 -4.92 117.12 118.58 1bkt n MET 22 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1bkt n MET 22 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.06 -4.61 0.03 1.74 -1.26 -4.18 116.66 108.43 1bkt n ARG 23 Ca 0.00 0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 1bkt n ARG 23 Cb 0.00 -0.38 -0.08 0.00 -1.02 0.00 0.00 32.46 30.98 1bkt n ARG 23 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bkt s PHE 24 N -1.49 1.84 -0.01 -1.55 0.08 -1.25 -4.43 117.98 111.18 1bkt s PHE 24 Ca -0.03 -1.13 -0.03 0.00 0.12 0.00 0.00 56.93 55.85 1bkt s PHE 24 Cb 0.00 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1bkt s PHE 24 CO 0.05 -0.06 0.07 0.20 -0.10 0.00 0.00 175.22 175.37 1bkt s GLY 25 N -3.71 0.04 0.04 4.36 0.00 -1.26 -1.22 107.32 105.56 1bkt s GLY 25 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1bkt s GLY 25 CO 0.10 -0.13 -0.05 0.54 0.00 0.00 0.00 173.10 173.57 1bkt s LYS 26 N -0.69 0.50 -0.18 2.90 3.01 0.22 -3.87 119.74 121.62 1bkt s LYS 26 Ca -0.08 -0.87 -0.09 0.00 -1.01 0.00 0.00 55.97 53.92 1bkt s LYS 26 Cb -0.05 -0.00 -0.05 0.00 -1.01 0.00 0.00 37.83 36.72 1bkt s LYS 26 CO 0.00 -0.04 0.13 0.00 0.51 0.00 0.00 175.35 175.96 1bkt n ILE 28 N 3.15 0.00 -1.53 0.00 2.08 -0.76 -4.85 119.36 117.45 1bkt n ILE 28 Ca -0.17 0.12 -0.17 0.00 0.56 0.00 0.00 62.75 63.09 1bkt n ILE 28 Cb 0.53 -1.00 0.14 0.00 -0.75 0.00 0.00 39.64 38.55 1bkt n ILE 28 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1bkt n ASN 29 N -2.00 4.18 0.00 4.38 0.23 -1.26 -4.83 115.26 115.97 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 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.03 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 -1.00 3.24 3.98 4.83 0.00 -1.26 -5.03 105.19 109.95 1bkt n GLY 30 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.48 2.90 0.22 1.61 2.20 -1.26 -1.17 119.74 123.76 1bkt s LYS 31 Ca 0.00 -1.19 -0.18 0.00 -0.36 0.00 0.00 55.97 54.24 1bkt s LYS 31 Cb 0.00 -2.73 -0.08 0.00 -1.51 0.00 0.00 37.83 33.51 1bkt s LYS 31 CO 0.00 -0.13 0.69 0.00 -0.36 0.00 0.00 175.35 175.55 1bkt s ASP 33 N -1.78 1.30 0.37 0.00 2.15 -0.27 -3.23 116.67 115.21 1bkt s ASP 33 Ca 0.44 -0.20 0.08 0.00 0.43 0.00 0.00 52.55 53.29 1bkt s ASP 33 Cb -0.15 -0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.12 1bkt s ASP 33 CO 0.20 0.08 0.27 0.00 -0.17 0.00 0.00 175.17 175.55 1bkt n THR 35 N -1.35 2.59 -1.00 0.00 -1.04 -0.36 -4.17 114.28 108.95 1bkt n THR 35 Ca -0.01 -5.34 -0.29 0.00 -2.04 0.00 0.00 64.05 56.37 1bkt n THR 35 Cb 0.61 -1.83 0.23 0.00 -1.82 0.00 0.00 70.33 67.52 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 -2.83 -0.92 0.00 -2.82 0.04 -1.26 -3.78 135.00 123.43 1bkt s PRO 36 Ca 0.43 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1bkt s PRO 36 Cb 0.20 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 33.13 1bkt s PRO 36 CO -0.06 -3.56 0.00 1.17 0.04 0.00 0.00 177.00 174.59