#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kht n TYR 3 N 1.51 -3.26 -2.20 0.00 4.01 -1.21 -4.94 117.16 111.08 2kht n TYR 3 Ca -0.16 -0.28 -0.18 0.00 -0.16 0.00 0.00 57.90 57.12 2kht n TYR 3 Cb 0.54 -0.11 0.11 0.00 -0.31 0.00 0.00 39.34 39.57 2kht n TYR 3 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kht s ARG 5 N -4.59 3.33 -0.06 0.00 3.52 0.63 -4.25 118.95 117.53 2kht s ARG 5 Ca 0.49 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2kht s ARG 5 Cb -0.02 -3.90 0.01 0.00 -1.56 0.00 0.00 34.95 29.47 2kht s ARG 5 CO 0.33 -0.79 -0.15 0.96 -0.81 0.00 0.00 175.30 174.85 2kht s ILE 6 N 2.34 1.33 -0.87 4.11 -0.00 -1.26 -4.02 121.20 122.83 2kht s ILE 6 Ca 0.16 -0.61 -0.23 0.00 -0.00 0.00 0.00 60.65 59.97 2kht s ILE 6 Cb -0.16 -1.18 -0.22 0.00 -0.00 0.00 0.00 42.46 40.91 2kht s ILE 6 CO 0.14 0.39 2.44 -2.65 -0.00 0.00 0.00 174.94 175.27 2kht n PRO 7 N 3.59 0.28 -0.57 0.37 -0.02 -1.26 -4.68 135.00 132.71 2kht n PRO 7 Ca -0.21 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2kht n PRO 7 Cb 0.52 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2kht n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kht n ALA 8 N 11.35 0.00 -1.10 3.55 0.00 -1.26 -5.02 120.51 128.02 2kht n ALA 8 Ca 0.58 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 2kht n ALA 8 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 2kht n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kht h ILE 10 N 6.07 1.27 -3.09 0.00 6.09 -1.93 -3.43 117.51 122.49 2kht h ILE 10 Ca 0.08 -1.56 -0.42 0.00 -1.37 0.00 0.00 64.86 61.58 2kht h ILE 10 Cb 0.86 1.39 0.22 0.00 0.47 0.00 0.00 36.82 39.75 2kht h ILE 10 CO 1.25 0.52 -0.06 0.00 -3.07 0.00 0.00 178.15 176.79 2kht s ALA 11 N -4.39 -0.85 0.00 0.18 0.00 -1.26 -3.77 121.76 111.68 2kht s ALA 11 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2kht s ALA 11 Cb 0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2kht s ALA 11 CO 0.88 -4.24 0.00 0.41 0.00 0.00 0.00 175.76 172.81 2kht n GLY 12 N 1.23 3.16 3.50 0.00 0.00 -1.26 -4.90 105.19 106.92 2kht n GLY 12 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2kht n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kht s GLU 13 N -0.42 1.02 0.17 1.61 2.56 -1.25 -5.07 118.70 117.32 2kht s GLU 13 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.97 54.99 2kht s GLU 13 Cb 0.00 0.47 -0.04 0.00 2.00 0.00 0.00 34.13 36.57 2kht s GLU 13 CO 0.00 -0.37 0.21 1.03 -0.56 0.00 0.00 175.26 175.57 2kht s ARG 14 N -2.11 3.13 0.11 4.30 0.52 -1.26 -4.83 118.95 118.81 2kht s ARG 14 Ca -0.04 -0.78 -0.21 0.00 -0.52 0.00 0.00 55.73 54.18 2kht s ARG 14 Cb -0.00 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 2kht s ARG 14 CO 0.00 0.48 0.64 -0.98 0.02 0.00 0.00 175.30 175.46 2kht s ARG 15 N -3.29 4.30 -0.03 3.54 1.70 -1.26 -4.20 118.95 119.70 2kht s ARG 15 Ca 0.33 0.85 -0.05 0.00 -0.47 0.00 0.00 55.73 56.39 2kht s ARG 15 Cb -0.10 -3.20 -0.02 0.00 -0.57 0.00 0.00 34.95 31.06 2kht s ARG 15 CO 0.26 0.60 -0.10 0.66 -1.08 0.00 0.00 175.30 175.63 2kht n TYR 16 N 1.57 0.00 -3.26 5.89 4.01 -1.26 -4.96 117.16 119.14 2kht n TYR 16 Ca -0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.46 2kht n TYR 16 Cb 0.50 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2kht n TYR 16 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2kht s GLY 17 N -3.75 1.67 -0.05 2.72 0.00 -1.26 -5.12 107.32 101.53 2kht s GLY 17 Ca -0.08 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 2kht s GLY 17 CO 0.12 -1.30 0.00 -1.08 0.00 0.00 0.00 173.10 170.84 2kht s THR 18 N -2.30 0.27 -0.19 0.90 -1.32 -1.26 -4.23 115.64 107.50 2kht s THR 18 Ca 0.48 0.12 -0.09 0.00 -1.21 0.00 0.00 61.69 60.99 2kht s THR 18 Cb -0.10 -0.40 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 2kht s THR 18 CO 0.33 0.21 0.11 0.00 -2.21 0.00 0.00 174.62 173.06 2kht s ILE 20 N 0.35 5.11 -0.29 0.00 -1.09 -1.26 -3.62 121.20 120.40 2kht s ILE 20 Ca 0.07 0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.64 2kht s ILE 20 Cb -0.11 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 37.05 2kht s ILE 20 CO -0.01 -0.08 0.88 -0.47 -1.23 0.00 0.00 174.94 174.03 2kht s TYR 21 N 2.18 -0.78 -0.44 3.97 5.04 -1.18 -4.90 117.35 121.24 2kht s TYR 21 Ca 0.15 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 2kht s TYR 21 Cb -0.16 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.62 2kht s TYR 21 CO 0.12 -0.39 0.00 0.94 -1.34 0.00 0.00 175.55 174.88 2kht n GLN 22 N 4.28 -1.84 -1.30 4.97 7.27 -1.26 0.16 117.38 129.67 2kht n GLN 22 Ca -0.16 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2kht n GLN 22 Cb 0.56 -4.67 0.00 0.00 2.41 0.00 0.00 30.24 28.54 2kht n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kht n GLY 23 N 0.51 0.61 3.34 1.69 0.00 -1.26 -5.07 105.19 105.01 2kht n GLY 23 Ca -0.04 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2kht n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kht s ARG 24 N -2.71 2.49 0.39 1.61 0.52 0.12 -5.13 118.95 116.24 2kht s ARG 24 Ca 0.00 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2kht s ARG 24 Cb 0.00 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 2kht s ARG 24 CO 0.00 0.47 0.56 -0.51 0.02 0.00 0.00 175.30 175.84 2kht s LEU 25 N -0.38 3.83 -0.41 2.53 2.01 -1.24 -3.09 118.68 121.94 2kht s LEU 25 Ca 0.03 0.04 -0.14 0.00 0.01 0.00 0.00 54.13 54.07 2kht s LEU 25 Cb -0.12 -2.94 0.03 0.00 0.01 0.00 0.00 46.19 43.17 2kht s LEU 25 CO 0.02 -0.55 0.29 0.86 1.01 0.00 0.00 176.35 177.98 2kht s TRP 26 N -2.34 3.25 0.08 0.29 -0.11 -1.25 0.23 118.94 119.08 2kht s TRP 26 Ca 0.46 -0.76 0.07 0.00 1.22 0.00 0.00 56.10 57.09 2kht s TRP 26 Cb -0.10 -2.64 -0.04 0.00 -1.50 0.00 0.00 33.47 29.20 2kht s TRP 26 CO 0.34 -0.64 -0.15 0.00 -4.62 0.00 0.00 176.95 171.88 2kht s ALA 27 N 1.63 2.76 -0.69 5.86 0.00 -1.26 -4.20 121.76 125.85 2kht s ALA 27 Ca 0.04 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 2kht s ALA 27 Cb -0.20 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2kht s ALA 27 CO 0.08 0.60 1.34 -0.06 0.00 0.00 0.00 175.76 177.73 2kht s PHE 28 N -1.07 2.25 -0.16 0.00 0.40 -1.26 -4.21 117.98 113.93 2kht s PHE 28 Ca 0.18 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 2kht s PHE 28 Cb -0.11 -4.54 0.01 0.00 0.51 0.00 0.00 43.02 38.89 2kht s PHE 28 CO 0.09 -2.04 -0.17 0.00 0.70 0.00 0.00 175.22 173.80