#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 4.07 0.00 7.63 0.00 -1.26 0.36 105.19 115.99 1bkt n GLY 2 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.04 0.00 -1.99 -0.61 -5.35 -1.13 -4.73 119.36 105.50 1bkt n ILE 3 Ca -0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1bkt n ILE 3 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 -0.36 -4.35 7.28 2.85 -1.26 -5.01 115.26 114.41 1bkt n ASN 4 Ca 0.00 -0.89 -0.20 0.00 -0.11 0.00 0.00 54.58 53.38 1bkt n ASN 4 Cb 0.00 0.14 -0.10 0.00 1.24 0.00 0.00 39.78 41.05 1bkt n ASN 4 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1bkt s VAL 5 N 0.01 1.83 -0.13 3.44 1.01 -1.26 -5.01 120.40 120.30 1bkt s VAL 5 Ca 0.01 -2.14 -0.07 0.00 0.00 0.00 0.00 61.98 59.78 1bkt s VAL 5 Cb 0.05 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1bkt s VAL 5 CO -0.01 -0.49 0.12 -0.54 0.00 0.00 0.00 175.10 174.18 1bkt s LYS 6 N -3.37 3.50 0.30 2.72 1.02 -1.26 -0.65 119.74 122.00 1bkt s LYS 6 Ca 0.21 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.08 1bkt s LYS 6 Cb -0.03 -3.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.04 1bkt s LYS 6 CO 0.08 0.70 -0.00 0.00 -0.92 0.00 0.00 175.35 175.20 1bkt n LYS 8 N -0.63 0.42 -4.56 0.00 5.02 -1.26 -4.66 118.16 112.48 1bkt n LYS 8 Ca -0.04 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 1bkt n LYS 8 Cb 0.65 -1.04 -0.09 0.00 -0.02 0.00 0.00 35.03 34.53 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 -2.04 1.92 -0.26 2.13 3.76 -1.26 -5.01 115.29 114.54 1bkt s HIS 9 Ca -0.03 -1.06 0.01 0.00 -0.15 0.00 0.00 55.06 53.83 1bkt s HIS 9 Cb 0.01 -1.35 0.27 0.00 1.11 0.00 0.00 32.58 32.62 1bkt s HIS 9 CO 0.05 -0.03 1.68 0.43 -0.85 0.00 0.00 174.74 176.03 1bkt n SER 10 N -1.09 4.65 0.00 1.40 7.64 -1.26 -3.28 113.62 121.68 1bkt n SER 10 Ca -0.08 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1bkt n SER 10 Cb 0.66 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.02 0.00 0.06 0.23 0.00 -1.26 -4.26 105.19 99.94 1bkt n GLY 11 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.35 1bkt n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bkt n GLN 12 N -2.83 0.05 -0.11 1.61 6.02 -1.21 -1.30 117.38 119.61 1bkt n GLN 12 Ca 0.00 0.55 -0.17 0.00 -0.01 0.00 0.00 57.00 57.38 1bkt n GLN 12 Cb 0.43 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 1bkt n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bkt h LEU 14 N -0.13 0.69 0.71 0.00 6.46 -1.37 -0.27 115.31 121.38 1bkt h LEU 14 Ca -0.50 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.24 1bkt h LEU 14 Cb 1.72 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1bkt h LEU 14 CO -0.12 0.45 -0.34 0.11 -0.62 0.00 0.00 178.44 177.92 1bkt h LYS 15 N 0.82 -0.91 -0.11 1.25 1.57 -1.60 -1.00 116.57 116.59 1bkt h LYS 15 Ca 0.32 0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.07 1bkt h LYS 15 Cb 0.14 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1bkt h LYS 15 CO -0.16 -0.60 -0.37 -1.00 -0.57 0.00 0.00 179.45 176.75 1bkt h PRO 16 N -0.99 0.22 0.86 3.15 0.13 -1.76 -0.68 132.00 132.93 1bkt h PRO 16 Ca -0.10 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1bkt h PRO 16 Cb 0.74 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.87 1bkt h PRO 16 CO 0.16 0.57 -0.41 0.00 -0.23 0.00 0.00 178.00 178.09 1bkt h LYS 18 N -1.22 -0.37 -0.09 0.00 3.11 -1.17 0.18 116.57 117.01 1bkt h LYS 18 Ca -0.12 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.77 1bkt h LYS 18 Cb 0.88 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1bkt h LYS 18 CO 0.19 -0.24 0.13 0.22 -2.81 0.00 0.00 179.45 176.94 1bkt h ASP 19 N -0.38 0.00 -0.08 4.20 3.58 -1.03 0.43 116.42 123.15 1bkt h ASP 19 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 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 -0.31 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.05 1bkt n ALA 20 N -2.23 2.47 0.00 -0.78 0.00 0.25 -4.93 120.51 115.29 1bkt n ALA 20 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1bkt n ALA 20 Cb 0.23 -0.88 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 1.34 1.09 0.00 0.00 0.00 0.13 -5.03 105.19 102.72 1bkt n GLY 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 2.13 -0.00 1.61 2.81 0.37 -4.89 117.12 119.09 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 0.10 -4.65 0.03 1.74 -1.26 -4.22 116.66 108.40 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 -0.53 -0.08 0.00 -1.02 0.00 0.00 32.46 30.84 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 -1.68 1.80 0.06 -1.55 0.40 -1.24 -4.52 117.98 111.24 1bkt s PHE 24 Ca -0.06 -1.15 0.04 0.00 -0.60 0.00 0.00 56.93 55.17 1bkt s PHE 24 Cb 0.01 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 1bkt s PHE 24 CO 0.08 -0.05 -0.11 0.20 0.70 0.00 0.00 175.22 176.04 1bkt s GLY 25 N -3.76 0.70 -0.05 4.36 0.00 -1.26 -1.32 107.32 105.98 1bkt s GLY 25 Ca 0.12 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.91 1bkt s GLY 25 CO 0.08 -0.91 0.15 0.54 0.00 0.00 0.00 173.10 172.95 1bkt s LYS 26 N -1.61 0.23 -0.10 2.90 1.02 0.99 -4.38 119.74 118.80 1bkt s LYS 26 Ca -0.05 0.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 1bkt s LYS 26 Cb -0.10 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1bkt s LYS 26 CO 0.01 -0.04 0.16 0.00 -0.92 0.00 0.00 175.35 174.57 1bkt n ILE 28 N 1.80 0.00 -1.57 0.00 5.41 -0.66 -4.91 119.36 119.43 1bkt n ILE 28 Ca -0.18 0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.38 1bkt n ILE 28 Cb 0.54 -0.65 0.11 0.00 -0.71 0.00 0.00 39.64 38.94 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 -1.29 4.70 0.00 4.38 0.23 -1.26 -4.82 115.26 117.20 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 -0.95 3.14 3.96 4.83 0.00 -1.26 -5.03 105.19 109.87 1bkt n GLY 30 Ca 0.47 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 2.86 0.25 1.61 2.20 -1.26 -0.93 119.74 123.88 1bkt s LYS 31 Ca 0.00 -1.22 -0.13 0.00 -0.36 0.00 0.00 55.97 54.26 1bkt s LYS 31 Cb 0.00 -2.68 -0.08 0.00 -1.51 0.00 0.00 37.83 33.56 1bkt s LYS 31 CO 0.00 -0.10 0.64 0.00 -0.36 0.00 0.00 175.35 175.52 1bkt s ASP 33 N -2.18 1.55 0.29 0.00 -1.08 0.50 -2.86 116.67 112.89 1bkt s ASP 33 Ca 0.48 -0.17 0.06 0.00 -0.52 0.00 0.00 52.55 52.39 1bkt s ASP 33 Cb -0.12 -0.58 -0.02 0.00 -1.46 0.00 0.00 42.92 40.74 1bkt s ASP 33 CO 0.19 -0.11 0.42 0.00 0.52 0.00 0.00 175.17 176.19 1bkt n THR 35 N -1.53 2.72 -0.98 0.00 -1.04 -0.44 -4.71 114.28 108.30 1bkt n THR 35 Ca -0.05 -5.46 -0.30 0.00 -2.04 0.00 0.00 64.05 56.21 1bkt n THR 35 Cb 0.57 -1.39 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 -3.27 -1.01 0.00 -2.82 0.04 -1.26 -3.70 135.00 122.98 1bkt s PRO 36 Ca 0.47 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1bkt s PRO 36 Cb 0.27 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 33.21 1bkt s PRO 36 CO -0.12 -3.62 0.00 1.17 0.04 0.00 0.00 177.00 174.47