#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s GLY 7 N 0.00 2.69 0.04 0.00 0.00 -1.26 -3.49 107.32 105.30 3hkz s GLY 7 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.59 3hkz s GLY 7 CO 0.00 1.25 0.05 0.54 0.00 0.00 0.00 173.10 174.94 3hkz s LYS 8 N -3.00 2.86 0.64 2.90 1.02 -0.57 -2.14 119.74 121.44 3hkz s LYS 8 Ca 0.68 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 3hkz s LYS 8 Cb -0.25 -2.72 0.06 0.00 -0.52 0.00 0.00 37.83 34.39 3hkz s LYS 8 CO 0.30 0.60 0.91 0.00 -0.92 0.00 0.00 175.35 176.23 3hkz s TRP 10 N -3.02 3.49 0.00 0.00 -0.00 -1.26 -4.12 118.94 114.02 3hkz s TRP 10 Ca 0.60 0.61 0.00 0.00 -0.00 0.00 0.00 56.10 57.31 3hkz s TRP 10 Cb -0.10 -2.09 0.00 0.00 -0.00 0.00 0.00 33.47 31.28 3hkz s TRP 10 CO 0.42 0.12 0.00 1.63 -0.00 0.00 0.00 176.95 179.12 3hkz n LYS 11 N -1.19 0.00 -3.99 5.86 4.76 -1.26 -4.74 118.16 117.60 3hkz n LYS 11 Ca -0.02 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.11 3hkz n LYS 11 Cb 0.54 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.58 3hkz n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3hkz s THR 12 N 0.00 2.20 0.00 -0.18 -4.23 -1.26 -4.99 115.64 107.18 3hkz s THR 12 Ca 0.00 -2.35 -0.01 0.00 -1.18 0.00 0.00 61.69 58.15 3hkz s THR 12 Cb 0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3hkz s THR 12 CO 0.00 -0.62 0.97 0.49 -0.54 0.00 0.00 174.62 174.92 3hkz n PHE 13 N 4.21 0.00 -3.08 3.99 3.01 -1.26 -3.32 117.46 121.01 3hkz n PHE 13 Ca 0.04 -0.24 -0.40 0.00 1.01 0.00 0.00 57.45 57.86 3hkz n PHE 13 Cb 0.41 -0.58 -0.06 0.00 -0.01 0.00 0.00 39.48 39.25 3hkz n PHE 13 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3hkz s THR 14 N 2.63 4.99 0.54 4.37 2.01 -1.26 -4.79 115.64 124.13 3hkz s THR 14 Ca 0.10 1.25 -0.19 0.00 0.31 0.00 0.00 61.69 63.16 3hkz s THR 14 Cb 0.05 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 3hkz s THR 14 CO 0.00 0.08 1.09 -1.81 -0.69 0.00 0.00 174.62 173.29 3hkz s ASP 15 N 1.24 5.86 0.30 3.53 1.11 -1.26 -3.22 116.67 124.23 3hkz s ASP 15 Ca 0.30 2.05 0.05 0.00 0.18 0.00 0.00 52.55 55.13 3hkz s ASP 15 Cb -0.16 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.25 3hkz s ASP 15 CO 0.10 -1.12 0.19 -0.62 1.18 0.00 0.00 175.17 174.90 3hkz n GLU 16 N -1.37 0.46 -4.30 8.23 1.02 -0.91 -5.01 120.64 118.77 3hkz n GLU 16 Ca 0.10 -2.78 -0.21 0.00 -0.02 0.00 0.00 57.16 54.25 3hkz n GLU 16 Cb 0.52 1.96 -0.12 0.00 -0.02 0.00 0.00 31.44 33.78 3hkz n GLU 16 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hkz s GLN 17 N -3.18 1.17 0.00 3.49 -1.52 -1.26 -4.23 119.66 114.13 3hkz s GLN 17 Ca 0.26 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 3hkz s GLN 17 Cb 0.01 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.56 3hkz s GLN 17 CO 0.19 0.26 0.30 1.28 -0.25 0.00 0.00 175.29 177.07 3hkz n LEU 18 N 0.59 0.13 -2.44 2.90 4.77 -1.26 -3.28 117.00 118.40 3hkz n LEU 18 Ca -0.16 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.52 3hkz n LEU 18 Cb 0.56 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3hkz n LEU 18 CO 0.27 0.03 1.65 0.29 -1.33 0.00 0.00 177.39 178.30 3hkz n LYS 19 N -0.22 2.43 -2.01 3.23 5.02 -1.26 -4.78 118.16 120.57 3hkz n LYS 19 Ca 0.00 -2.11 -0.38 0.00 -2.02 0.00 0.00 58.31 53.79 3hkz n LYS 19 Cb 0.03 -2.14 -0.01 0.00 -0.02 0.00 0.00 35.03 32.89 3hkz n LYS 19 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3hkz n VAL 20 N 1.29 5.08 -4.16 -0.18 0.24 -1.21 -4.93 118.33 114.47 3hkz n VAL 20 Ca 0.49 -4.38 -0.32 0.00 -2.04 0.00 0.00 64.34 58.08 3hkz n VAL 20 Cb 0.61 -1.92 -0.16 0.00 -1.47 0.00 0.00 33.84 30.90 3hkz n VAL 20 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3hkz s LEU 21 N -2.49 2.02 -0.11 1.34 1.43 -1.26 -4.17 118.68 115.43 3hkz s LEU 21 Ca 0.53 -0.60 0.17 0.00 -1.03 0.00 0.00 54.13 53.19 3hkz s LEU 21 Cb 0.22 -1.40 -0.24 0.00 0.03 0.00 0.00 46.19 44.80 3hkz s LEU 21 CO -0.12 -0.00 0.35 -0.81 0.23 0.00 0.00 176.35 175.99 3hkz n PRO 22 N 4.59 0.66 -0.62 1.29 -0.04 -1.26 -5.10 135.00 134.52 3hkz n PRO 22 Ca -0.20 0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 3hkz n PRO 22 Cb 0.50 -1.62 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 3hkz n PRO 22 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hkz s GLY 23 N -5.20 1.61 -0.43 0.55 0.00 -1.26 -4.93 107.32 97.66 3hkz s GLY 23 Ca -0.08 0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.86 3hkz s GLY 23 CO 0.84 0.79 1.86 1.55 0.00 0.00 0.00 173.10 178.13 3hkz n VAL 24 N -4.60 2.98 0.00 1.40 3.14 -1.26 -4.83 118.33 115.16 3hkz n VAL 24 Ca 0.07 -1.90 0.00 0.00 -2.96 0.00 0.00 64.34 59.55 3hkz n VAL 24 Cb 0.53 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 3hkz n VAL 24 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3hkz n ARG 25 N -0.64 0.00 0.00 1.45 1.74 -1.26 -4.58 116.66 113.37 3hkz n ARG 25 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3hkz n ARG 25 Cb 1.10 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.54 3hkz n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkz s PRO 27 N 3.80 4.26 0.00 0.00 0.04 -1.26 -4.82 135.00 137.01 3hkz s PRO 27 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 3hkz s PRO 27 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3hkz s PRO 27 CO 0.00 -0.04 0.00 0.66 0.04 0.00 0.00 177.00 177.66 3hkz n TYR 28 N 4.36 0.00 -1.69 0.56 4.02 -1.26 -4.89 117.16 118.26 3hkz n TYR 28 Ca -0.05 0.00 -0.62 0.00 -0.01 0.00 0.00 57.90 57.22 3hkz n TYR 28 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.74 3hkz n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hkz n GLY 30 N 3.59 -0.94 3.67 0.00 0.00 -1.26 -3.88 105.19 106.37 3hkz n GLY 30 Ca 0.27 0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.89 3hkz n GLY 30 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hkz n TYR 31 N -1.92 2.30 -0.91 1.61 -0.00 -1.26 -4.88 117.16 112.11 3hkz n TYR 31 Ca 0.01 0.18 0.08 0.00 -0.00 0.00 0.00 57.90 58.17 3hkz n TYR 31 Cb 0.12 -2.58 0.31 0.00 -0.00 0.00 0.00 39.34 37.18 3hkz n TYR 31 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3hkz n LYS 32 N 4.36 3.58 0.07 2.98 5.02 -1.26 -4.37 118.16 128.53 3hkz n LYS 32 Ca 0.18 -2.91 -0.17 0.00 -2.02 0.00 0.00 58.31 53.40 3hkz n LYS 32 Cb 0.29 -1.95 -0.14 0.00 -0.02 0.00 0.00 35.03 33.21 3hkz n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hkz h ILE 33 N 2.61 1.18 0.00 -0.18 1.08 -1.90 -3.48 117.51 116.83 3hkz h ILE 33 Ca 0.00 -2.82 0.00 0.00 -0.39 0.00 0.00 64.86 61.65 3hkz h ILE 33 Cb 1.58 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 38.10 3hkz h ILE 33 CO 0.30 0.82 0.00 0.00 -0.69 0.00 0.00 178.15 178.58 3hkz n ILE 34 N -3.46 0.00 -4.00 -0.67 0.00 -1.25 -4.92 119.36 105.06 3hkz n ILE 34 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 62.75 62.47 3hkz n ILE 34 Cb 1.04 0.00 -0.13 0.00 0.00 0.00 0.00 39.64 40.55 3hkz n ILE 34 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3hkz s PHE 35 N 0.00 0.27 0.40 9.51 -0.12 -0.63 -4.91 117.98 122.51 3hkz s PHE 35 Ca 0.00 -0.21 -0.25 0.00 -0.05 0.00 0.00 56.93 56.42 3hkz s PHE 35 Cb 0.00 -0.18 -0.11 0.00 -0.63 0.00 0.00 43.02 42.10 3hkz s PHE 35 CO 0.00 -0.05 1.11 -1.33 -0.05 0.00 0.00 175.22 174.89 3hkz n MET 36 N 2.50 1.58 -4.37 1.99 2.81 -1.26 -1.51 117.12 118.87 3hkz n MET 36 Ca -0.16 0.56 -0.26 0.00 -1.81 0.00 0.00 57.70 56.03 3hkz n MET 36 Cb 0.58 -2.14 -0.09 0.00 -0.71 0.00 0.00 33.22 30.86 3hkz n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hkz s VAL 37 N -1.21 2.20 -0.50 2.03 0.11 -1.23 -4.88 120.40 116.92 3hkz s VAL 37 Ca 0.61 -1.86 -0.46 0.00 -2.93 0.00 0.00 61.98 57.34 3hkz s VAL 37 Cb -0.56 -2.97 -0.20 0.00 -1.53 0.00 0.00 36.38 31.12 3hkz s VAL 37 CO 0.58 -0.02 1.77 -1.14 -3.33 0.00 0.00 175.10 172.96 3hkz n ARG 38 N -1.09 0.01 -1.63 1.54 0.63 -1.26 -4.81 116.66 110.05 3hkz n ARG 38 Ca -0.03 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.47 3hkz n ARG 38 Cb 0.65 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 32.03 3hkz n ARG 38 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3hkz n LYS 39 N 5.10 2.38 -1.56 -0.14 4.81 -1.26 -4.80 118.16 122.68 3hkz n LYS 39 Ca 0.38 0.78 -0.41 0.00 -0.87 0.00 0.00 58.31 58.19 3hkz n LYS 39 Cb -0.05 -3.10 -0.03 0.00 0.02 0.00 0.00 35.03 31.86 3hkz n LYS 39 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3hkz n PRO 40 N 8.12 2.08 -4.39 1.64 -0.04 -1.26 -4.82 135.00 136.33 3hkz n PRO 40 Ca 0.25 -2.28 -0.20 0.00 -0.04 0.00 0.00 63.50 61.23 3hkz n PRO 40 Cb 0.42 -3.18 -0.10 0.00 -0.04 0.00 0.00 33.50 30.60 3hkz n PRO 40 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hkz s THR 41 N 5.07 1.90 -0.36 0.52 2.01 -1.26 -5.10 115.64 118.42 3hkz s THR 41 Ca 0.55 -2.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.02 3hkz s THR 41 Cb 0.12 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.46 3hkz s THR 41 CO 0.05 -0.49 1.11 -0.51 -0.69 0.00 0.00 174.62 174.09 3hkz s ILE 42 N -2.87 4.40 -0.18 1.82 2.07 -1.26 -5.00 121.20 120.18 3hkz s ILE 42 Ca 0.26 1.57 -0.01 0.00 -1.41 0.00 0.00 60.65 61.06 3hkz s ILE 42 Cb -0.01 -4.45 0.00 0.00 0.13 0.00 0.00 42.46 38.13 3hkz s ILE 42 CO 0.10 -0.63 -0.13 -0.54 -1.91 0.00 0.00 174.94 171.83 3hkz s LYS 43 N 3.91 3.19 -0.33 3.50 1.02 -1.26 -5.09 119.74 124.67 3hkz s LYS 43 Ca 0.47 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.53 3hkz s LYS 43 Cb -0.11 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3hkz s LYS 43 CO 0.20 -0.13 0.58 0.42 -0.92 0.00 0.00 175.35 175.51 3hkz s ILE 44 N 1.19 4.96 -0.18 2.17 1.01 -1.26 -5.05 121.20 124.04 3hkz s ILE 44 Ca 0.02 0.61 -0.06 0.00 0.00 0.00 0.00 60.65 61.22 3hkz s ILE 44 Cb -0.14 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3hkz s ILE 44 CO -0.06 -0.20 0.03 -0.69 0.00 0.00 0.00 174.94 174.02 3hkz s VAL 45 N 2.55 4.37 0.11 2.92 1.01 -1.26 -5.09 120.40 125.01 3hkz s VAL 45 Ca 0.22 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3hkz s VAL 45 Cb -0.15 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3hkz s VAL 45 CO 0.13 0.45 1.10 -1.59 0.00 0.00 0.00 175.10 175.19 3hkz s LYS 46 N 0.57 4.56 -1.21 2.72 0.00 -1.26 -4.97 119.74 120.14 3hkz s LYS 46 Ca 0.01 1.66 -0.13 0.00 0.00 0.00 0.00 55.97 57.51 3hkz s LYS 46 Cb -0.13 -3.33 0.17 0.00 0.00 0.00 0.00 37.83 34.54 3hkz s LYS 46 CO 0.02 -0.02 1.45 0.00 0.00 0.00 0.00 175.35 176.80 3hkz n ALA 47 N 3.05 3.96 0.46 0.59 0.00 -1.26 -5.35 120.51 121.96 3hkz n ALA 47 Ca 0.05 -4.26 0.06 0.00 0.00 0.00 0.00 53.44 49.28 3hkz n ALA 47 Cb 0.47 -3.04 0.05 0.00 0.00 0.00 0.00 19.45 16.93 3hkz n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61