#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 -1.41 0.00 7.55 0.00 -1.26 -3.43 105.19 106.64 1bkt n GLY 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.47 0.00 -2.07 -0.61 -5.35 -1.19 -4.69 119.36 103.98 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 0.32 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.33 -4.36 7.28 5.15 -1.26 -5.03 115.26 116.71 1bkt n ASN 4 Ca 0.00 -0.91 -0.19 0.00 -0.60 0.00 0.00 54.58 52.88 1bkt n ASN 4 Cb 0.00 0.13 -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 1.45 -0.09 3.44 1.01 -1.26 -5.02 120.40 119.95 1bkt s VAL 5 Ca 0.01 -2.12 -0.05 0.00 0.00 0.00 0.00 61.98 59.83 1bkt s VAL 5 Cb 0.06 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1bkt s VAL 5 CO -0.02 -0.44 0.10 -0.54 0.00 0.00 0.00 175.10 174.20 1bkt s LYS 6 N -3.74 3.28 0.39 2.72 1.02 -1.26 -0.72 119.74 121.43 1bkt s LYS 6 Ca 0.26 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.06 1bkt s LYS 6 Cb 0.03 -3.04 -0.07 0.00 -0.52 0.00 0.00 37.83 34.23 1bkt s LYS 6 CO 0.08 0.74 0.02 0.00 -0.92 0.00 0.00 175.35 175.27 1bkt n LYS 8 N -0.99 0.06 -4.42 0.00 5.02 -1.26 -4.70 118.16 111.87 1bkt n LYS 8 Ca -0.04 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 1bkt n LYS 8 Cb 0.66 -0.93 -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 -2.05 1.72 -0.20 2.13 3.76 -1.26 -5.02 115.29 114.38 1bkt s HIS 9 Ca -0.03 -1.31 0.01 0.00 -0.15 0.00 0.00 55.06 53.58 1bkt s HIS 9 Cb 0.01 -1.02 0.19 0.00 1.11 0.00 0.00 32.58 32.88 1bkt s HIS 9 CO 0.05 -0.40 1.21 0.43 -0.85 0.00 0.00 174.74 175.19 1bkt n SER 10 N -1.10 3.11 0.00 1.40 7.64 -1.26 -2.72 113.62 120.70 1bkt n SER 10 Ca -0.02 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1bkt n SER 10 Cb 0.65 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.05 0.00 0.37 0.23 0.00 -1.26 -4.13 105.19 100.45 1bkt n GLY 11 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 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 0.02 1.61 -0.00 -1.90 0.12 115.11 114.96 1bkt h GLN 12 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.65 58.27 1bkt h GLN 12 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.36 1bkt h GLN 12 CO 0.00 0.00 -2.34 0.00 0.00 0.00 0.00 178.83 176.49 1bkt h LEU 14 N 0.01 0.83 0.62 0.00 6.46 -0.96 -0.87 115.31 121.40 1bkt h LEU 14 Ca -0.53 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 1bkt h LEU 14 Cb 1.99 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.73 1bkt h LEU 14 CO -0.03 0.58 -0.36 0.11 -0.62 0.00 0.00 178.44 178.13 1bkt h LYS 15 N 0.98 -0.88 -0.32 1.25 1.57 -1.50 -0.77 116.57 116.90 1bkt h LYS 15 Ca 0.29 0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1bkt h LYS 15 Cb -0.04 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1bkt h LYS 15 CO -0.09 -0.59 -0.34 -1.00 -0.57 0.00 0.00 179.45 176.86 1bkt h PRO 16 N -0.92 0.70 0.77 3.15 0.13 -1.76 -0.51 132.00 133.55 1bkt h PRO 16 Ca -0.08 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1bkt h PRO 16 Cb 0.74 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1bkt h PRO 16 CO 0.09 0.94 -0.43 0.00 -0.23 0.00 0.00 178.00 178.37 1bkt h LYS 18 N -1.11 -0.42 -0.08 0.00 1.63 -1.16 1.00 116.57 116.43 1bkt h LYS 18 Ca -0.10 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1bkt h LYS 18 Cb 0.88 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1bkt h LYS 18 CO 0.13 -0.28 0.13 0.22 -3.45 0.00 0.00 179.45 176.20 1bkt h ASP 19 N -0.44 0.00 -0.01 4.20 3.58 -0.94 0.20 116.42 123.01 1bkt h ASP 19 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1bkt h ASP 19 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1bkt h ASP 19 CO -0.26 0.00 -0.12 0.00 -2.88 0.00 0.00 179.24 175.98 1bkt n ALA 20 N -2.23 2.75 0.00 -0.78 0.00 0.20 -4.94 120.51 115.51 1bkt n ALA 20 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1bkt n ALA 20 Cb 0.22 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.34 1.14 0.00 0.00 0.00 0.04 -5.04 105.19 102.68 1bkt n GLY 21 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.29 0.00 1.61 2.81 0.17 -4.93 117.12 119.01 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 -4.61 0.03 1.74 -1.26 -4.30 116.66 108.39 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 -0.63 -0.08 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.95 1.81 0.04 -1.55 0.08 -1.23 -4.55 117.98 110.63 1bkt s PHE 24 Ca -0.07 -1.18 0.06 0.00 0.12 0.00 0.00 56.93 55.86 1bkt s PHE 24 Cb 0.01 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 1bkt s PHE 24 CO 0.10 -0.11 -0.17 0.20 -0.10 0.00 0.00 175.22 175.15 1bkt s GLY 25 N -3.72 0.91 -0.02 4.36 0.00 -1.26 -1.37 107.32 106.23 1bkt s GLY 25 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1bkt s GLY 25 CO 0.10 -0.86 -0.08 0.54 0.00 0.00 0.00 173.10 172.80 1bkt s LYS 26 N -1.13 0.81 -0.18 2.90 -0.14 0.87 -4.41 119.74 118.46 1bkt s LYS 26 Ca 0.04 -0.27 -0.10 0.00 -1.36 0.00 0.00 55.97 54.29 1bkt s LYS 26 Cb -0.08 -0.78 -0.05 0.00 -1.68 0.00 0.00 37.83 35.24 1bkt s LYS 26 CO 0.01 0.11 0.15 0.00 -0.76 0.00 0.00 175.35 174.86 1bkt n ILE 28 N 3.17 0.00 -1.53 0.00 2.08 -0.80 -4.90 119.36 117.38 1bkt n ILE 28 Ca -0.16 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 62.98 1bkt n ILE 28 Cb 0.53 -0.60 0.14 0.00 -0.75 0.00 0.00 39.64 38.96 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 -0.86 4.11 0.00 4.38 0.23 -1.26 -4.82 115.26 117.04 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 -1.01 3.00 3.93 4.83 0.00 -1.26 -5.05 105.19 109.64 1bkt n GLY 30 Ca 0.44 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.83 2.92 0.12 1.61 2.20 -1.26 -0.62 119.74 123.87 1bkt s LYS 31 Ca 0.00 -1.16 -0.11 0.00 -0.36 0.00 0.00 55.97 54.34 1bkt s LYS 31 Cb 0.00 -2.65 -0.06 0.00 -1.51 0.00 0.00 37.83 33.61 1bkt s LYS 31 CO 0.00 0.06 0.46 0.00 -0.36 0.00 0.00 175.35 175.51 1bkt s ASP 33 N -1.84 1.32 0.26 0.00 2.15 -0.10 -3.17 116.67 115.29 1bkt s ASP 33 Ca 0.36 -0.26 0.09 0.00 0.43 0.00 0.00 52.55 53.17 1bkt s ASP 33 Cb -0.14 -0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 42.31 1bkt s ASP 33 CO 0.19 0.10 0.07 0.00 -0.17 0.00 0.00 175.17 175.36 1bkt n THR 35 N -0.98 2.70 -0.98 0.00 -1.04 -0.47 -2.44 114.28 111.07 1bkt n THR 35 Ca -0.07 -5.44 -0.30 0.00 -2.04 0.00 0.00 64.05 56.21 1bkt n THR 35 Cb 0.59 -1.47 0.24 0.00 -1.82 0.00 0.00 70.33 67.86 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 -3.19 -1.15 0.00 -2.82 0.04 -1.26 -3.54 135.00 123.08 1bkt s PRO 36 Ca 0.47 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1bkt s PRO 36 Cb 0.26 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 33.21 1bkt s PRO 36 CO -0.11 -3.70 0.00 1.17 0.04 0.00 0.00 177.00 174.40