#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgh s PHE 2 N 0.00 1.84 -0.08 9.51 -0.12 -1.26 -4.97 117.98 122.90 2kgh s PHE 2 Ca 0.00 0.54 0.03 0.00 -0.05 0.00 0.00 56.93 57.45 2kgh s PHE 2 Cb 0.00 -4.07 -0.02 0.00 -0.63 0.00 0.00 43.02 38.30 2kgh s PHE 2 CO 0.00 -3.15 -0.15 -2.00 -0.05 0.00 0.00 175.22 169.87 2kgh s GLU 3 N 5.32 2.81 0.00 1.99 -6.30 -1.26 -4.64 118.70 116.62 2kgh s GLU 3 Ca 0.79 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 52.54 2kgh s GLU 3 Cb -0.25 -2.44 0.00 0.00 0.00 0.00 0.00 34.13 31.44 2kgh s GLU 3 CO 0.33 0.46 0.00 0.00 0.02 0.00 0.00 175.26 176.06 2kgh s VAL 5 N -2.16 1.99 -1.22 0.00 1.01 -1.26 -4.99 120.40 113.78 2kgh s VAL 5 Ca 0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.02 2kgh s VAL 5 Cb 0.00 -2.34 0.20 0.00 0.00 0.00 0.00 36.38 34.24 2kgh s VAL 5 CO 0.00 -0.39 1.99 0.33 0.00 0.00 0.00 175.10 177.02 2kgh n PHE 6 N 4.42 2.65 0.82 5.22 -0.00 -1.26 -3.85 117.46 125.46 2kgh n PHE 6 Ca -0.04 -2.72 0.12 0.00 -0.00 0.00 0.00 57.45 54.81 2kgh n PHE 6 Cb 0.42 -1.66 0.27 0.00 -0.00 0.00 0.00 39.48 38.52 2kgh n PHE 6 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2kgh n SER 7 N 1.97 2.65 -0.45 -2.13 7.64 -1.26 -4.51 113.62 117.53 2kgh n SER 7 Ca 0.47 -1.87 -0.05 0.00 1.01 0.00 0.00 58.87 58.43 2kgh n SER 7 Cb 0.30 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 2kgh n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kgh s ASP 9 N -1.93 6.95 -1.37 0.00 1.01 -1.26 -4.83 116.67 115.23 2kgh s ASP 9 Ca 0.00 2.06 -0.10 0.00 0.71 0.00 0.00 52.55 55.22 2kgh s ASP 9 Cb 0.00 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.46 2kgh s ASP 9 CO 0.00 -0.62 2.20 0.00 0.21 0.00 0.00 175.17 176.96 2kgh n ILE 10 N 4.35 4.31 0.14 0.77 3.06 -1.25 -0.13 119.36 130.61 2kgh n ILE 10 Ca 0.11 -3.83 0.00 0.00 -2.50 0.00 0.00 62.75 56.53 2kgh n ILE 10 Cb 0.45 -2.39 0.00 0.00 0.54 0.00 0.00 39.64 38.23 2kgh n ILE 10 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2kgh n LYS 11 N 3.93 0.00 -0.09 9.51 5.02 -1.26 -4.90 118.16 130.37 2kgh n LYS 11 Ca 0.52 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.64 2kgh n LYS 11 Cb 0.33 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.24 2kgh n LYS 11 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2kgh h LYS 12 N 0.00 0.00 0.00 1.97 2.10 -1.85 -3.46 116.57 115.33 2kgh h LYS 12 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.26 2kgh h LYS 12 Cb 0.00 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.43 2kgh h LYS 12 CO 0.00 0.83 0.19 -1.91 -2.00 0.00 0.00 179.45 176.56 2kgh n GLU 13 N -4.51 -0.39 0.00 0.07 0.00 0.82 -4.67 120.64 111.96 2kgh n GLU 13 Ca -0.23 -2.16 0.00 0.00 0.00 0.00 0.00 57.16 54.77 2kgh n GLU 13 Cb 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 31.44 31.22 2kgh n GLU 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kgh n GLY 14 N -1.93 0.66 0.00 8.31 0.00 -1.21 -3.95 105.19 107.06 2kgh n GLY 14 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kgh n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kgh n LYS 15 N 0.00 0.00 -2.08 1.61 2.85 -0.65 -4.89 118.16 115.00 2kgh n LYS 15 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 2kgh n LYS 15 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2kgh n LYS 15 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2kgh s PRO 16 N -2.00 2.81 0.00 -1.58 0.02 -1.26 -1.56 135.00 131.42 2kgh s PRO 16 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 61.00 61.71 2kgh s PRO 16 Cb 0.00 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 30.19 2kgh s PRO 16 CO 0.00 -2.52 0.00 0.00 -0.33 0.00 0.00 177.00 174.15 2kgh s LYS 18 N 1.34 1.85 0.29 0.00 0.00 -1.26 -2.26 119.74 119.70 2kgh s LYS 18 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 55.97 53.92 2kgh s LYS 18 Cb 0.00 -3.35 -0.13 0.00 0.00 0.00 0.00 37.83 34.35 2kgh s LYS 18 CO 0.00 -0.94 1.42 -2.30 0.00 0.00 0.00 175.35 173.53 2kgh n PRO 19 N 4.45 2.23 -4.24 1.78 -0.02 -1.26 -4.61 135.00 133.33 2kgh n PRO 19 Ca -0.02 0.79 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 2kgh n PRO 19 Cb 0.42 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.28 2kgh n PRO 19 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kgh s LYS 20 N -0.91 2.24 0.00 -0.52 1.02 -1.26 -4.61 119.74 115.71 2kgh s LYS 20 Ca 0.63 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2kgh s LYS 20 Cb -0.59 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2kgh s LYS 20 CO 0.53 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2kgh n GLY 21 N 4.49 3.25 3.83 -3.33 0.00 -1.26 -5.00 105.19 107.16 2kgh n GLY 21 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2kgh n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kgh s GLU 22 N -0.51 4.16 -0.03 1.61 0.41 -1.26 -4.96 118.70 118.13 2kgh s GLU 22 Ca 0.00 0.79 0.02 0.00 -0.41 0.00 0.00 54.97 55.37 2kgh s GLU 22 Cb 0.00 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.56 2kgh s GLU 22 CO 0.00 0.33 0.00 1.17 -0.49 0.00 0.00 175.26 176.27 2kgh n LYS 23 N 0.42 2.84 0.12 1.61 3.00 -1.26 -4.68 118.16 120.20 2kgh n LYS 23 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.07 2kgh n LYS 23 Cb 0.52 -1.06 -0.15 0.00 0.00 0.00 0.00 35.03 34.33 2kgh n LYS 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2kgh h LYS 24 N 0.00 0.49 -6.28 1.64 1.57 -2.02 -3.38 116.57 108.60 2kgh h LYS 24 Ca -0.07 -0.82 -0.55 0.00 -1.87 0.00 0.00 60.65 57.35 2kgh h LYS 24 Cb 1.15 0.30 -0.08 0.00 0.08 0.00 0.00 32.23 33.67 2kgh h LYS 24 CO 0.00 1.39 1.16 0.00 -0.57 0.00 0.00 179.45 181.43 2kgh s THR 26 N 5.87 -0.30 0.00 0.00 2.01 -1.26 -4.55 115.64 117.40 2kgh s THR 26 Ca 0.40 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2kgh s THR 26 Cb -0.07 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2kgh s THR 26 CO 0.10 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2kgh n GLY 27 N 4.80 0.82 2.20 4.40 0.00 -1.26 -4.89 105.19 111.25 2kgh n GLY 27 Ca -0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 2kgh n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgh n GLY 28 N 0.00 -0.85 3.19 -0.02 0.00 -1.26 -4.74 105.19 101.50 2kgh n GLY 28 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2kgh n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kgh s TRP 29 N -2.45 2.33 -0.20 1.61 0.52 -0.96 -1.31 118.94 118.48 2kgh s TRP 29 Ca 0.05 -0.92 -0.26 0.00 0.02 0.00 0.00 56.10 54.99 2kgh s TRP 29 Cb -0.01 -1.57 -0.00 0.00 -1.15 0.00 0.00 33.47 30.73 2kgh s TRP 29 CO 0.36 -0.37 0.90 1.03 0.02 0.00 0.00 176.95 178.89 2kgh s ARG 30 N 0.34 4.26 -0.05 4.98 0.52 0.11 -0.82 118.95 128.31 2kgh s ARG 30 Ca -0.16 1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 55.86 2kgh s ARG 30 Cb -0.17 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 2kgh s ARG 30 CO 0.07 -0.47 1.26 0.00 0.02 0.00 0.00 175.30 176.19 2kgh s LYS 32 N 2.34 1.19 0.59 0.00 2.47 -0.74 -1.64 119.74 123.95 2kgh s LYS 32 Ca 0.58 -1.57 0.31 0.00 -1.56 0.00 0.00 55.97 53.73 2kgh s LYS 32 Cb -0.26 0.28 1.35 0.00 -1.46 0.00 0.00 37.83 37.73 2kgh s LYS 32 CO 0.23 -0.39 1.69 -0.84 0.16 0.00 0.00 175.35 176.20 2kgh h ILE 33 N 2.62 0.25 0.00 5.43 3.07 -1.95 -0.39 117.51 126.54 2kgh h ILE 33 Ca -0.35 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 65.97 2kgh h ILE 33 Cb 1.24 0.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 2kgh h ILE 33 CO 0.52 0.00 -0.49 0.50 -1.05 0.00 0.00 178.15 177.63 2kgh h LYS 34 N 0.00 0.00 0.00 0.16 1.63 -1.96 -3.51 116.57 112.89 2kgh h LYS 34 Ca 0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2kgh h LYS 34 Cb 2.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.64 2kgh h LYS 34 CO -0.00 0.94 0.00 1.47 -3.45 0.00 0.00 179.45 178.40 2kgh n LEU 35 N -4.55 0.00 -4.66 5.20 -0.00 -0.16 -5.10 117.00 107.74 2kgh n LEU 35 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.41 2kgh n LEU 35 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 2kgh n LEU 35 CO 0.26 0.00 1.39 0.00 -0.00 0.00 0.00 177.39 179.04 2kgh s LEU 37 N 4.13 2.38 0.13 0.00 2.96 0.11 -4.84 118.68 123.56 2kgh s LEU 37 Ca 0.75 -0.97 -0.33 0.00 -0.22 0.00 0.00 54.13 53.36 2kgh s LEU 37 Cb -0.34 -1.23 -0.18 0.00 0.50 0.00 0.00 46.19 44.95 2kgh s LEU 37 CO 0.30 -0.17 0.79 2.29 -1.32 0.00 0.00 176.35 178.24 2kgh n LYS 38 N 4.67 0.15 0.00 1.98 0.00 -1.26 0.08 118.16 123.78 2kgh n LYS 38 Ca -0.14 0.05 0.13 0.00 -0.00 0.00 0.00 58.31 58.36 2kgh n LYS 38 Cb 0.46 -1.29 0.37 0.00 -0.00 0.00 0.00 35.03 34.58 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91