#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 1.84 -2.74 -1.87 0.00 4.02 -1.25 -5.01 117.16 112.15 2kht n TYR 3 Ca -0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 2kht n TYR 3 Cb 0.54 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.95 2kht n TYR 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kht s ARG 5 N -4.08 3.38 -0.01 0.00 3.52 0.46 -3.96 118.95 118.26 2kht s ARG 5 Ca 0.34 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 2kht s ARG 5 Cb -0.01 -3.89 -0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2kht s ARG 5 CO 0.23 -0.79 -0.04 0.96 -0.81 0.00 0.00 175.30 174.85 2kht s ILE 6 N 2.41 0.34 -0.09 4.11 -0.00 -1.26 -4.63 121.20 122.08 2kht s ILE 6 Ca 0.17 -0.17 -0.09 0.00 -0.00 0.00 0.00 60.65 60.56 2kht s ILE 6 Cb -0.16 -0.30 -0.10 0.00 -0.00 0.00 0.00 42.46 41.90 2kht s ILE 6 CO 0.15 0.10 0.96 -2.65 -0.00 0.00 0.00 174.94 173.50 2kht n PRO 7 N 3.05 0.01 -0.61 0.37 -0.02 -1.26 -4.63 135.00 131.91 2kht n PRO 7 Ca -0.14 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 2kht n PRO 7 Cb 0.58 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 6.24 0.00 -0.52 3.55 0.00 -1.26 -5.01 120.51 123.50 2kht n ALA 8 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 2kht n ALA 8 Cb 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 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 4.98 0.18 -0.34 0.00 2.04 -1.86 -3.41 117.51 119.10 2kht h ILE 10 Ca 0.24 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2kht h ILE 10 Cb 0.67 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2kht h ILE 10 CO 1.92 0.10 0.00 0.00 0.00 0.00 0.00 178.15 180.17 2kht n ALA 11 N -2.13 0.00 0.00 1.87 0.00 -1.26 -3.81 120.51 115.18 2kht n ALA 11 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kht n ALA 11 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kht n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kht n GLY 12 N 0.00 1.13 3.08 0.00 0.00 -1.26 -4.73 105.19 103.40 2kht n GLY 12 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2kht n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kht s GLU 13 N 0.00 0.44 -0.16 1.61 8.01 -1.25 -5.15 118.70 122.20 2kht s GLU 13 Ca 0.00 -0.42 -0.00 0.00 0.01 0.00 0.00 54.97 54.56 2kht s GLU 13 Cb 0.00 0.18 0.04 0.00 -4.31 0.00 0.00 34.13 30.04 2kht s GLU 13 CO 0.00 -0.10 -0.08 1.03 0.01 0.00 0.00 175.26 176.12 2kht s ARG 14 N -1.35 1.72 0.20 1.61 1.81 -1.26 -4.21 118.95 117.46 2kht s ARG 14 Ca -0.14 -0.56 -0.30 0.00 -1.72 0.00 0.00 55.73 53.01 2kht s ARG 14 Cb -0.08 -2.05 -0.08 0.00 -0.45 0.00 0.00 34.95 32.29 2kht s ARG 14 CO 0.01 -0.38 0.99 0.50 -0.68 0.00 0.00 175.30 175.75 2kht s ARG 15 N 1.57 4.75 -0.05 3.54 6.06 -1.26 -4.84 118.95 128.72 2kht s ARG 15 Ca 0.02 1.55 -0.13 0.00 -2.50 0.00 0.00 55.73 54.67 2kht s ARG 15 Cb -0.15 -3.30 -0.31 0.00 0.06 0.00 0.00 34.95 31.26 2kht s ARG 15 CO -0.08 0.33 0.69 1.88 -2.50 0.00 0.00 175.30 175.61 2kht h TYR 16 N 4.66 0.71 -4.21 5.12 -1.99 -2.00 -3.45 116.97 115.81 2kht h TYR 16 Ca -0.44 -0.52 -0.50 0.00 2.00 0.00 0.00 58.73 59.26 2kht h TYR 16 Cb 1.21 -0.03 0.09 0.00 2.00 0.00 0.00 36.73 40.00 2kht h TYR 16 CO 0.62 1.65 0.37 0.20 -0.00 0.00 0.00 178.16 181.00 2kht s GLY 17 N -5.03 2.12 0.01 3.88 0.00 -1.26 -5.06 107.32 101.98 2kht s GLY 17 Ca -0.16 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.11 2kht s GLY 17 CO 0.85 0.83 -0.18 -0.51 0.00 0.00 0.00 173.10 174.10 2kht s THR 18 N -2.40 1.39 -0.28 0.90 -4.23 -1.26 -4.66 115.64 105.10 2kht s THR 18 Ca 0.66 -0.90 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 2kht s THR 18 Cb -0.19 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 2kht s THR 18 CO 0.41 0.27 0.15 0.00 -0.54 0.00 0.00 174.62 174.91 2kht s ILE 20 N 1.70 4.58 -0.24 0.00 -1.09 -1.26 -3.15 121.20 121.73 2kht s ILE 20 Ca 0.06 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 2kht s ILE 20 Cb -0.16 -4.67 0.12 0.00 -1.58 0.00 0.00 42.46 36.17 2kht s ILE 20 CO 0.08 -1.39 0.27 -0.47 -1.23 0.00 0.00 174.94 172.20 2kht s TYR 21 N 3.27 -0.43 -0.78 3.97 5.04 -1.23 -4.84 117.35 122.35 2kht s TYR 21 Ca 0.23 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 2kht s TYR 21 Cb -0.15 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 41.82 2kht s TYR 21 CO 0.03 -0.75 0.00 0.94 -1.34 0.00 0.00 175.55 174.43 2kht n GLN 22 N 5.32 -1.45 -1.72 4.97 -0.06 -1.26 -1.54 117.38 121.64 2kht n GLN 22 Ca -0.04 0.71 0.00 0.00 -2.00 0.00 0.00 57.00 55.67 2kht n GLN 22 Cb 0.48 -4.94 0.00 0.00 -4.06 0.00 0.00 30.24 21.72 2kht n GLN 22 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kht n GLY 23 N -0.21 0.81 2.88 1.69 0.00 -1.26 -5.07 105.19 104.03 2kht n GLY 23 Ca -0.07 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.58 1.30 0.61 1.61 0.52 -0.59 -5.12 118.95 113.71 2kht s ARG 24 Ca 0.00 -0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 54.99 2kht s ARG 24 Cb 0.00 -1.40 0.03 0.00 0.52 0.00 0.00 34.95 34.09 2kht s ARG 24 CO 0.00 -0.25 0.91 -0.51 0.02 0.00 0.00 175.30 175.47 2kht s LEU 25 N 1.67 3.13 -0.31 2.53 1.43 -1.19 -3.47 118.68 122.48 2kht s LEU 25 Ca 0.03 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 2kht s LEU 25 Cb -0.13 -3.29 0.05 0.00 0.03 0.00 0.00 46.19 42.85 2kht s LEU 25 CO -0.06 -1.22 0.02 -1.66 0.23 0.00 0.00 176.35 173.65 2kht s TRP 26 N -3.01 3.26 0.32 0.29 1.48 -1.26 0.17 118.94 120.19 2kht s TRP 26 Ca 0.56 -1.79 0.01 0.00 -1.06 0.00 0.00 56.10 53.82 2kht s TRP 26 Cb -0.11 -2.14 -0.03 0.00 -1.16 0.00 0.00 33.47 30.03 2kht s TRP 26 CO 0.44 -0.79 0.50 0.00 -4.06 0.00 0.00 176.95 173.04 2kht s ALA 27 N 1.28 3.75 -0.63 2.67 0.00 -1.25 -4.70 121.76 122.89 2kht s ALA 27 Ca -0.05 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2kht s ALA 27 Cb -0.20 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.91 2kht s ALA 27 CO -0.00 0.06 1.51 0.12 0.00 0.00 0.00 175.76 177.45 2kht s PHE 28 N -2.22 2.09 -0.14 0.00 2.19 -1.26 -4.54 117.98 114.09 2kht s PHE 28 Ca 0.39 0.41 0.01 0.00 0.33 0.00 0.00 56.93 58.07 2kht s PHE 28 Cb -0.10 -4.37 0.02 0.00 -1.31 0.00 0.00 43.02 37.26 2kht s PHE 28 CO 0.34 -2.13 -0.18 0.00 1.83 0.00 0.00 175.22 175.08