#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 -1.54 0.00 7.63 0.00 -1.26 -3.33 105.19 106.69 1bkt n GLY 2 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.85 0.00 -2.07 -0.61 -5.35 -1.18 -4.67 119.36 103.61 1bkt n ILE 3 Ca -0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.46 1bkt n ILE 3 Cb 0.38 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.29 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 -0.29 -4.41 7.28 5.15 -1.26 -5.01 115.26 116.72 1bkt n ASN 4 Ca 0.00 -0.88 -0.21 0.00 -0.60 0.00 0.00 54.58 52.90 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 1.74 -0.12 3.44 1.01 -1.26 -5.00 120.40 120.22 1bkt s VAL 5 Ca 0.01 -2.17 -0.07 0.00 0.00 0.00 0.00 61.98 59.75 1bkt s VAL 5 Cb 0.05 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1bkt s VAL 5 CO -0.02 -0.40 0.15 -0.54 0.00 0.00 0.00 175.10 174.30 1bkt s LYS 6 N -3.69 3.46 0.36 2.72 1.02 -1.26 -0.72 119.74 121.63 1bkt s LYS 6 Ca 0.27 -0.11 0.07 0.00 0.02 0.00 0.00 55.97 56.22 1bkt s LYS 6 Cb 0.02 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 1bkt s LYS 6 CO 0.11 0.78 -0.02 0.00 -0.92 0.00 0.00 175.35 175.29 1bkt n LYS 8 N -0.84 0.04 -4.53 0.00 4.76 -1.26 -4.73 118.16 111.61 1bkt n LYS 8 Ca -0.05 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.15 1bkt n LYS 8 Cb 0.65 -0.91 -0.09 0.00 -1.84 0.00 0.00 35.03 32.85 1bkt n LYS 8 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1bkt s HIS 9 N -2.03 1.84 -0.40 2.13 3.76 -1.26 -5.02 115.29 114.31 1bkt s HIS 9 Ca -0.02 -1.17 0.03 0.00 -0.15 0.00 0.00 55.06 53.75 1bkt s HIS 9 Cb 0.01 -1.24 0.28 0.00 1.11 0.00 0.00 32.58 32.73 1bkt s HIS 9 CO 0.03 -0.17 1.19 0.43 -0.85 0.00 0.00 174.74 175.37 1bkt n SER 10 N -1.16 3.07 -0.01 1.40 7.64 -1.26 -2.83 113.62 120.48 1bkt n SER 10 Ca -0.07 -2.50 -0.02 0.00 1.01 0.00 0.00 58.87 57.30 1bkt n SER 10 Cb 0.66 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.03 -0.03 0.38 0.23 0.00 -1.26 -4.02 105.19 100.53 1bkt n GLY 11 Ca 0.17 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.06 0.00 0.03 1.61 -0.00 -1.92 0.12 115.11 114.88 1bkt h GLN 12 Ca -0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.23 1bkt h GLN 12 Cb 1.04 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.46 1bkt h GLN 12 CO -0.03 0.00 -2.33 0.00 0.00 0.00 0.00 178.83 176.47 1bkt h LEU 14 N 0.02 0.92 0.74 0.00 6.46 -0.96 -0.98 115.31 121.50 1bkt h LEU 14 Ca -0.53 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.18 1bkt h LEU 14 Cb 1.97 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.68 1bkt h LEU 14 CO -0.03 0.66 -0.45 0.11 -0.62 0.00 0.00 178.44 178.11 1bkt h LYS 15 N 1.09 -1.07 -0.43 1.25 1.57 -1.43 -0.90 116.57 116.64 1bkt h LYS 15 Ca 0.31 0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 1bkt h LYS 15 Cb -0.08 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1bkt h LYS 15 CO -0.08 -0.71 -0.26 -1.00 -0.57 0.00 0.00 179.45 176.83 1bkt h PRO 16 N -1.11 0.91 0.43 3.15 0.13 -1.76 -0.64 132.00 133.11 1bkt h PRO 16 Ca -0.10 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1bkt h PRO 16 Cb 0.89 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1bkt h PRO 16 CO 0.10 1.06 -0.44 0.00 -0.23 0.00 0.00 178.00 178.49 1bkt h LYS 18 N -0.88 -0.30 0.00 0.00 3.64 -1.16 0.83 116.57 118.69 1bkt h LYS 18 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1bkt h LYS 18 Cb 0.78 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1bkt h LYS 18 CO -0.07 -0.20 0.00 -0.44 -2.27 0.00 0.00 179.45 176.47 1bkt h ASP 19 N -0.31 0.00 0.03 4.20 3.32 -0.88 -0.23 116.42 122.55 1bkt h ASP 19 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1bkt h ASP 19 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1bkt h ASP 19 CO -0.13 0.00 -0.52 0.00 -1.72 0.00 0.00 179.24 176.87 1bkt n ALA 20 N -1.96 3.67 0.00 3.45 0.00 0.25 -4.95 120.51 120.98 1bkt n ALA 20 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1bkt n ALA 20 Cb 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.42 1.28 0.00 0.00 0.00 -0.11 -5.04 105.19 102.74 1bkt n GLY 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.09 1.93 -0.00 1.61 2.81 0.16 -4.94 117.12 118.60 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 0.11 -4.60 0.03 1.74 -1.26 -4.23 116.66 108.46 1bkt n ARG 23 Ca 0.00 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 1bkt n ARG 23 Cb 0.00 -0.56 -0.07 0.00 -1.02 0.00 0.00 32.46 30.81 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 -3.25 0.76 -4.24 -1.55 3.72 -1.21 -4.50 117.46 107.19 1bkt n PHE 24 Ca -0.03 -2.58 -0.18 0.00 -0.05 0.00 0.00 57.45 54.60 1bkt n PHE 24 Cb 0.11 -0.20 -0.11 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.07 -0.07 1.37 0.00 -1.26 -1.30 107.32 103.43 1bkt s GLY 25 Ca 0.09 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.49 1bkt s GLY 25 CO 0.06 -1.32 0.16 0.54 0.00 0.00 0.00 173.10 172.54 1bkt s LYS 26 N -2.55 0.16 -0.14 2.90 1.02 0.11 -4.53 119.74 116.70 1bkt s LYS 26 Ca 0.08 0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.28 1bkt s LYS 26 Cb -0.06 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1bkt s LYS 26 CO 0.03 -0.08 0.15 0.00 -0.92 0.00 0.00 175.35 174.53 1bkt n ILE 28 N 2.54 0.00 -1.53 0.00 2.08 -0.73 -4.91 119.36 116.81 1bkt n ILE 28 Ca -0.18 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 62.95 1bkt n ILE 28 Cb 0.54 -0.61 0.13 0.00 -0.75 0.00 0.00 39.64 38.95 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 -1.03 4.28 0.00 4.38 0.23 -1.26 -4.82 115.26 117.03 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 -0.99 3.01 3.95 4.83 0.00 -1.26 -5.04 105.19 109.68 1bkt n GLY 30 Ca 0.45 0.00 -0.19 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 -0.57 2.89 0.22 1.61 2.20 -1.26 -0.95 119.74 123.88 1bkt s LYS 31 Ca 0.00 -1.20 -0.11 0.00 -0.36 0.00 0.00 55.97 54.30 1bkt s LYS 31 Cb 0.00 -2.67 -0.07 0.00 -1.51 0.00 0.00 37.83 33.57 1bkt s LYS 31 CO 0.00 -0.04 0.57 0.00 -0.36 0.00 0.00 175.35 175.52 1bkt s ASP 33 N -2.20 1.14 0.30 0.00 2.15 0.35 -3.13 116.67 115.29 1bkt s ASP 33 Ca 0.46 -0.18 0.08 0.00 0.43 0.00 0.00 52.55 53.34 1bkt s ASP 33 Cb -0.12 -0.25 -0.04 0.00 -0.30 0.00 0.00 42.92 42.21 1bkt s ASP 33 CO 0.20 0.08 0.17 0.00 -0.17 0.00 0.00 175.17 175.45 1bkt n THR 35 N -1.18 2.41 -0.70 0.00 -1.04 -0.42 -3.03 114.28 110.33 1bkt n THR 35 Ca -0.05 -5.28 -0.30 0.00 -2.04 0.00 0.00 64.05 56.38 1bkt n THR 35 Cb 0.59 -1.77 0.27 0.00 -1.82 0.00 0.00 70.33 67.60 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 -2.80 -2.17 0.00 -2.82 0.04 -1.26 -3.33 135.00 122.66 1bkt s PRO 36 Ca 0.43 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1bkt s PRO 36 Cb 0.21 -1.47 0.00 0.00 0.04 0.00 0.00 34.50 33.27 1bkt s PRO 36 CO -0.07 -4.36 0.00 1.17 0.04 0.00 0.00 177.00 173.78