#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 -1.72 0.00 7.55 0.00 -1.26 -3.27 105.19 106.50 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 -2.08 0.00 -2.22 -0.61 -5.35 -1.17 -4.67 119.36 103.26 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 0.42 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.35 -4.44 7.28 2.85 -1.26 -5.00 115.26 114.34 1bkt n ASN 4 Ca 0.00 -1.05 -0.21 0.00 -0.11 0.00 0.00 54.58 53.21 1bkt n ASN 4 Cb 0.00 0.15 -0.10 0.00 1.24 0.00 0.00 39.78 41.06 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 0.02 1.61 -0.06 3.44 1.01 -1.26 -5.00 120.40 120.16 1bkt s VAL 5 Ca 0.02 -2.11 -0.05 0.00 0.00 0.00 0.00 61.98 59.84 1bkt s VAL 5 Cb 0.08 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1bkt s VAL 5 CO -0.02 -0.26 0.17 -0.75 0.00 0.00 0.00 175.10 174.24 1bkt s LYS 6 N -3.74 3.44 0.29 2.72 2.36 -1.26 -0.82 119.74 122.73 1bkt s LYS 6 Ca 0.30 -0.23 0.05 0.00 -2.55 0.00 0.00 55.97 53.55 1bkt s LYS 6 Cb 0.04 -3.14 -0.06 0.00 -1.05 0.00 0.00 37.83 33.63 1bkt s LYS 6 CO 0.12 0.72 -0.02 0.00 1.55 0.00 0.00 175.35 177.73 1bkt n LYS 8 N -0.61 0.00 -4.47 0.00 5.02 -1.26 -4.73 118.16 112.10 1bkt n LYS 8 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 1bkt n LYS 8 Cb 0.64 -0.96 -0.08 0.00 -0.02 0.00 0.00 35.03 34.61 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 -2.00 1.77 -0.59 2.13 3.76 -1.26 -5.01 115.29 114.09 1bkt s HIS 9 Ca 0.00 -1.37 0.03 0.00 -0.15 0.00 0.00 55.06 53.57 1bkt s HIS 9 Cb 0.00 -1.07 0.20 0.00 1.11 0.00 0.00 32.58 32.82 1bkt s HIS 9 CO 0.00 -0.41 0.95 0.43 -0.85 0.00 0.00 174.74 174.86 1bkt n SER 10 N -1.37 2.53 -0.01 1.40 7.64 -1.26 -2.91 113.62 119.63 1bkt n SER 10 Ca -0.04 -2.29 -0.02 0.00 1.01 0.00 0.00 58.87 57.53 1bkt n SER 10 Cb 0.64 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.14 -0.04 0.44 0.23 0.00 -1.26 -4.00 105.19 100.69 1bkt n GLY 11 Ca 0.10 -0.01 0.24 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.08 0.00 0.03 1.61 -0.00 -1.93 0.27 115.11 115.00 1bkt h GLN 12 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.22 1bkt h GLN 12 Cb 1.02 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.44 1bkt h GLN 12 CO -0.03 0.00 -2.31 0.00 0.00 0.00 0.00 178.83 176.49 1bkt h LEU 14 N 0.02 0.64 0.56 0.00 6.46 -0.64 -0.86 115.31 121.48 1bkt h LEU 14 Ca -0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.22 1bkt h LEU 14 Cb 2.00 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.78 1bkt h LEU 14 CO -0.02 0.45 -0.42 0.11 -0.62 0.00 0.00 178.44 177.94 1bkt h LYS 15 N 0.77 -0.92 -0.34 1.25 6.56 -1.50 -0.90 116.57 121.49 1bkt h LYS 15 Ca 0.25 0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.80 1bkt h LYS 15 Cb 0.02 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1bkt h LYS 15 CO -0.10 -0.61 -0.25 -1.00 -2.06 0.00 0.00 179.45 175.43 1bkt h PRO 16 N -0.95 0.68 0.80 3.15 0.13 -1.76 -0.48 132.00 133.57 1bkt h PRO 16 Ca -0.06 -0.28 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 1bkt h PRO 16 Cb 0.80 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1bkt h PRO 16 CO 0.01 0.86 -0.47 0.00 -0.23 0.00 0.00 178.00 178.17 1bkt h LYS 18 N -1.19 -0.38 -0.05 0.00 1.63 -1.16 0.82 116.57 116.24 1bkt h LYS 18 Ca -0.11 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1bkt h LYS 18 Cb 0.94 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1bkt h LYS 18 CO 0.12 -0.25 0.09 0.22 -3.45 0.00 0.00 179.45 176.18 1bkt h ASP 19 N -0.39 0.00 0.00 4.20 3.58 -0.94 0.13 116.42 122.99 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 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1bkt h ASP 19 CO -0.32 0.00 -0.22 0.00 -2.88 0.00 0.00 179.24 175.83 1bkt n ALA 20 N -2.20 2.97 0.00 -0.78 0.00 0.22 -4.94 120.51 115.78 1bkt n ALA 20 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1bkt n ALA 20 Cb 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.01 0.00 0.00 0.00 0.02 -5.04 105.19 102.54 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 -0.01 1.96 -0.00 1.61 2.81 0.10 -4.91 117.12 118.69 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 -4.70 0.03 1.74 -1.26 -4.25 116.66 108.28 1bkt n ARG 23 Ca 0.00 0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.79 1bkt n ARG 23 Cb 0.00 -0.38 -0.07 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 -1.36 1.78 0.16 -1.55 0.40 -1.24 -4.48 117.98 111.69 1bkt s PHE 24 Ca -0.03 -1.11 0.07 0.00 -0.60 0.00 0.00 56.93 55.26 1bkt s PHE 24 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1bkt s PHE 24 CO 0.05 0.01 -0.16 0.20 0.70 0.00 0.00 175.22 176.02 1bkt s GLY 25 N -3.81 1.30 -0.16 4.36 0.00 -1.26 -1.28 107.32 106.47 1bkt s GLY 25 Ca 0.08 -1.47 -0.13 0.00 0.00 0.00 0.00 44.72 43.20 1bkt s GLY 25 CO 0.06 -1.54 0.41 1.25 0.00 0.00 0.00 173.10 173.28 1bkt s LYS 26 N -2.98 0.46 -0.12 2.90 2.47 0.12 -4.56 119.74 118.03 1bkt s LYS 26 Ca 0.15 0.61 -0.08 0.00 -1.56 0.00 0.00 55.97 55.09 1bkt s LYS 26 Cb -0.04 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1bkt s LYS 26 CO 0.05 -0.07 0.15 0.00 0.16 0.00 0.00 175.35 175.65 1bkt n ILE 28 N 2.17 0.00 -1.56 0.00 5.41 -0.71 -4.91 119.36 119.75 1bkt n ILE 28 Ca -0.19 0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.37 1bkt n ILE 28 Cb 0.54 -0.64 0.12 0.00 -0.71 0.00 0.00 39.64 38.95 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 -1.21 4.60 0.00 4.38 0.23 -1.26 -4.82 115.26 117.18 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 3.21 3.91 4.83 0.00 -1.26 -5.03 105.19 109.88 1bkt n GLY 30 Ca 0.46 0.00 -0.20 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 -0.70 2.82 0.31 1.61 2.20 -1.26 -1.29 119.74 123.42 1bkt s LYS 31 Ca 0.00 -1.25 -0.16 0.00 -0.36 0.00 0.00 55.97 54.21 1bkt s LYS 31 Cb 0.00 -2.59 -0.09 0.00 -1.51 0.00 0.00 37.83 33.64 1bkt s LYS 31 CO 0.00 0.01 0.73 0.00 -0.36 0.00 0.00 175.35 175.73 1bkt s ASP 33 N -2.18 1.20 0.31 0.00 2.15 0.85 -3.03 116.67 115.98 1bkt s ASP 33 Ca 0.52 -0.19 0.08 0.00 0.43 0.00 0.00 52.55 53.40 1bkt s ASP 33 Cb -0.11 -0.37 -0.03 0.00 -0.30 0.00 0.00 42.92 42.11 1bkt s ASP 33 CO 0.18 0.05 0.20 0.00 -0.17 0.00 0.00 175.17 175.43 1bkt n THR 35 N -1.22 2.85 -1.48 0.00 -1.04 -0.41 -2.25 114.28 110.74 1bkt n THR 35 Ca -0.04 -5.50 -0.29 0.00 -2.04 0.00 0.00 64.05 56.18 1bkt n THR 35 Cb 0.60 -1.32 0.16 0.00 -1.82 0.00 0.00 70.33 67.95 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 -3.41 0.60 0.00 -2.82 0.04 -1.26 -3.73 135.00 124.42 1bkt s PRO 36 Ca 0.48 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1bkt s PRO 36 Cb 0.29 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 33.04 1bkt s PRO 36 CO -0.14 -2.53 0.00 1.63 0.04 0.00 0.00 177.00 176.00