#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 -1.75 0.00 7.55 0.00 -1.26 -3.40 105.19 106.33 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 -2.16 0.00 -1.95 -0.61 -5.35 -1.13 -4.68 119.36 103.48 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 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 -5.00 115.26 116.71 1bkt n ASN 4 Ca 0.00 -0.78 -0.22 0.00 -0.60 0.00 0.00 54.58 52.99 1bkt n ASN 4 Cb 0.00 0.11 -0.10 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.01 1.86 -0.14 3.44 1.01 -1.26 -5.00 120.40 120.32 1bkt s VAL 5 Ca 0.01 -2.19 -0.08 0.00 0.00 0.00 0.00 61.98 59.72 1bkt s VAL 5 Cb 0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1bkt s VAL 5 CO -0.01 -0.36 0.14 -0.54 0.00 0.00 0.00 175.10 174.33 1bkt s LYS 6 N -3.66 3.68 0.35 2.72 1.02 -1.26 -0.62 119.74 121.97 1bkt s LYS 6 Ca 0.29 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 56.19 1bkt s LYS 6 Cb 0.01 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.99 1bkt s LYS 6 CO 0.12 0.63 -0.04 0.00 -0.92 0.00 0.00 175.35 175.14 1bkt n LYS 8 N -0.80 0.04 -4.59 0.00 5.02 -1.26 -4.66 118.16 111.90 1bkt n LYS 8 Ca -0.05 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 55.97 1bkt n LYS 8 Cb 0.65 -0.98 -0.08 0.00 -0.02 0.00 0.00 35.03 34.60 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 -2.03 1.86 -0.66 2.13 3.76 -1.26 -5.00 115.29 114.08 1bkt s HIS 9 Ca -0.02 -1.13 0.05 0.00 -0.15 0.00 0.00 55.06 53.81 1bkt s HIS 9 Cb 0.01 -1.34 0.30 0.00 1.11 0.00 0.00 32.58 32.65 1bkt s HIS 9 CO 0.04 -0.07 1.00 -1.13 -0.85 0.00 0.00 174.74 173.72 1bkt n SER 10 N -1.24 2.81 -0.02 1.40 3.41 -1.26 -3.00 113.62 115.73 1bkt n SER 10 Ca -0.10 -2.37 -0.03 0.00 -0.26 0.00 0.00 58.87 56.11 1bkt n SER 10 Cb 0.66 -0.58 -0.01 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 0.20 -0.05 0.38 5.00 0.00 -1.26 -3.96 105.19 105.49 1bkt n GLY 11 Ca 0.11 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.11 0.00 0.01 1.61 -0.00 -1.93 0.18 115.11 114.87 1bkt h GLN 12 Ca -0.08 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.19 1bkt h GLN 12 Cb 1.08 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.50 1bkt h GLN 12 CO -0.05 0.00 -2.35 0.00 0.00 0.00 0.00 178.83 176.43 1bkt h LEU 14 N 0.01 0.86 0.59 0.00 6.46 -0.81 -0.86 115.31 121.56 1bkt h LEU 14 Ca -0.54 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.18 1bkt h LEU 14 Cb 2.04 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 41.77 1bkt h LEU 14 CO -0.02 0.60 -0.28 0.11 -0.62 0.00 0.00 178.44 178.23 1bkt h LYS 15 N 1.01 -0.77 -0.32 1.25 1.79 -1.54 -0.74 116.57 117.26 1bkt h LYS 15 Ca 0.31 0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.70 1bkt h LYS 15 Cb -0.04 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1bkt h LYS 15 CO -0.09 -0.51 -0.30 -1.00 -1.08 0.00 0.00 179.45 176.47 1bkt h PRO 16 N -0.80 0.68 0.81 3.15 0.13 -1.77 -0.46 132.00 133.74 1bkt h PRO 16 Ca -0.08 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1bkt h PRO 16 Cb 0.61 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1bkt h PRO 16 CO 0.13 0.90 -0.47 0.00 -0.23 0.00 0.00 178.00 178.33 1bkt h LYS 18 N -1.19 -0.40 -0.12 0.00 1.63 -1.15 0.88 116.57 116.22 1bkt h LYS 18 Ca -0.11 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1bkt h LYS 18 Cb 0.95 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1bkt h LYS 18 CO 0.13 -0.27 0.15 0.22 -3.45 0.00 0.00 179.45 176.23 1bkt h ASP 19 N -0.42 0.00 -0.02 4.20 3.58 -0.94 0.20 116.42 123.02 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 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1bkt h ASP 19 CO -0.28 0.00 -0.07 0.00 -2.88 0.00 0.00 179.24 176.01 1bkt n ALA 20 N -2.28 2.63 0.00 -0.78 0.00 0.18 -4.94 120.51 115.32 1bkt n ALA 20 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1bkt n ALA 20 Cb 0.26 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.33 1.12 0.00 0.00 0.00 0.04 -5.04 105.19 102.65 1bkt n GLY 21 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.06 2.27 0.01 1.61 2.81 0.13 -4.93 117.12 118.97 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 0.12 -4.63 0.03 1.74 -1.26 -4.30 116.66 108.36 1bkt n ARG 23 Ca 0.00 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 1bkt n ARG 23 Cb 0.00 -0.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.96 1.78 0.18 -1.55 0.08 -1.23 -4.57 117.98 110.70 1bkt s PHE 24 Ca -0.07 -1.21 0.08 0.00 0.12 0.00 0.00 56.93 55.85 1bkt s PHE 24 Cb 0.01 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1bkt s PHE 24 CO 0.10 -0.14 -0.15 0.20 -0.10 0.00 0.00 175.22 175.12 1bkt s GLY 25 N -3.74 1.37 -0.20 4.36 0.00 -1.26 -1.35 107.32 106.50 1bkt s GLY 25 Ca 0.14 -1.57 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1bkt s GLY 25 CO 0.09 -1.65 0.51 1.25 0.00 0.00 0.00 173.10 173.31 1bkt s LYS 26 N -3.31 0.57 -0.07 2.90 2.36 0.12 -4.58 119.74 117.73 1bkt s LYS 26 Ca 0.19 0.78 -0.06 0.00 -2.55 0.00 0.00 55.97 54.34 1bkt s LYS 26 Cb -0.02 0.22 -0.04 0.00 -1.05 0.00 0.00 37.83 36.93 1bkt s LYS 26 CO 0.06 -0.10 0.17 0.00 1.55 0.00 0.00 175.35 177.04 1bkt n ILE 28 N 1.56 0.00 -1.56 0.00 5.41 -0.58 -4.91 119.36 119.28 1bkt n ILE 28 Ca -0.16 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.39 1bkt n ILE 28 Cb 0.54 -0.48 0.12 0.00 -0.71 0.00 0.00 39.64 39.11 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 -0.56 4.61 0.00 4.38 0.23 -1.26 -4.81 115.26 117.85 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 -0.96 2.99 3.99 4.83 0.00 -1.26 -5.05 105.19 109.74 1bkt n GLY 30 Ca 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.59 3.04 0.18 1.61 2.20 -1.26 -0.77 119.74 124.15 1bkt s LYS 31 Ca 0.00 -1.04 -0.14 0.00 -0.36 0.00 0.00 55.97 54.43 1bkt s LYS 31 Cb 0.00 -2.79 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 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 -1.88 1.59 0.26 0.00 2.15 0.68 -2.85 116.67 116.63 1bkt s ASP 33 Ca 0.41 -0.25 0.09 0.00 0.43 0.00 0.00 52.55 53.23 1bkt s ASP 33 Cb -0.14 -0.33 -0.04 0.00 -0.30 0.00 0.00 42.92 42.11 1bkt s ASP 33 CO 0.20 0.13 0.07 0.00 -0.17 0.00 0.00 175.17 175.39 1bkt n THR 35 N -1.00 2.51 -0.98 0.00 -1.04 -0.46 -2.40 114.28 110.92 1bkt n THR 35 Ca -0.07 -5.37 -0.30 0.00 -2.04 0.00 0.00 64.05 56.28 1bkt n THR 35 Cb 0.59 -1.48 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 -3.08 -1.21 0.00 -2.82 0.04 -1.26 -3.52 135.00 123.15 1bkt s PRO 36 Ca 0.46 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1bkt s PRO 36 Cb 0.25 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 33.21 1bkt s PRO 36 CO -0.10 -3.73 0.00 0.36 0.04 0.00 0.00 177.00 173.57