#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 -0.82 -0.05 1.39 2.19 -1.26 -5.13 117.98 114.30 2kgh s PHE 2 Ca 0.00 -0.68 -0.03 0.00 0.33 0.00 0.00 56.93 56.55 2kgh s PHE 2 Cb 0.00 -0.10 0.02 0.00 -1.31 0.00 0.00 43.02 41.63 2kgh s PHE 2 CO 0.00 -1.08 0.12 -2.00 1.83 0.00 0.00 175.22 174.08 2kgh s GLU 3 N 1.22 0.10 0.00 10.12 2.56 -1.26 -4.88 118.70 126.55 2kgh s GLU 3 Ca 0.22 0.24 0.00 0.00 0.00 0.00 0.00 54.97 55.43 2kgh s GLU 3 Cb -0.06 -0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.01 2kgh s GLU 3 CO -0.06 -0.08 0.00 0.00 -0.56 0.00 0.00 175.26 174.55 2kgh s VAL 5 N -0.15 2.40 -0.12 0.00 -7.23 -1.26 -5.02 120.40 109.02 2kgh s VAL 5 Ca 0.00 -1.71 0.22 0.00 -1.81 0.00 0.00 61.98 58.69 2kgh s VAL 5 Cb 0.00 -2.98 0.46 0.00 0.56 0.00 0.00 36.38 34.41 2kgh s VAL 5 CO 0.00 -0.03 1.16 0.33 -0.31 0.00 0.00 175.10 176.25 2kgh n PHE 6 N -1.22 0.55 -2.47 2.82 7.35 -1.26 -4.65 117.46 118.58 2kgh n PHE 6 Ca -0.01 -1.21 -0.39 0.00 -0.76 0.00 0.00 57.45 55.07 2kgh n PHE 6 Cb 0.64 -0.20 -0.03 0.00 0.35 0.00 0.00 39.48 40.24 2kgh n PHE 6 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2kgh s SER 7 N -2.78 6.16 -1.12 -2.13 0.01 -1.26 -4.54 113.70 108.04 2kgh s SER 7 Ca 0.33 -0.91 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 2kgh s SER 7 Cb 0.37 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.94 2kgh s SER 7 CO -0.11 -1.80 1.96 0.00 0.41 0.00 0.00 173.24 173.70 2kgh s ASP 9 N 7.05 4.06 0.00 0.00 1.11 -1.26 -5.01 116.67 122.61 2kgh s ASP 9 Ca 0.70 -1.50 0.18 0.00 0.18 0.00 0.00 52.55 52.12 2kgh s ASP 9 Cb -0.02 0.09 -0.02 0.00 1.07 0.00 0.00 42.92 44.04 2kgh s ASP 9 CO 0.11 -0.68 0.91 0.00 1.18 0.00 0.00 175.17 176.69 2kgh n ILE 10 N -1.16 0.00 -0.06 0.77 3.06 -1.26 -2.69 119.36 118.03 2kgh n ILE 10 Ca -0.12 -0.30 -0.04 0.00 -2.50 0.00 0.00 62.75 59.79 2kgh n ILE 10 Cb 0.67 1.20 -0.02 0.00 0.54 0.00 0.00 39.64 42.02 2kgh n ILE 10 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 2kgh h LYS 11 N 1.87 0.00 0.00 9.51 1.79 -1.95 -3.43 116.57 124.37 2kgh h LYS 11 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kgh h LYS 11 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2kgh h LYS 11 CO 0.00 0.14 -0.10 1.57 -1.08 0.00 0.00 179.45 179.98 2kgh h LYS 12 N -1.00 0.00 0.00 3.15 2.10 -1.86 -3.47 116.57 115.49 2kgh h LYS 12 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kgh h LYS 12 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2kgh h LYS 12 CO -0.01 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.53 2kgh n GLU 13 N -4.36 0.83 0.00 0.07 0.00 -1.22 -4.89 120.64 111.07 2kgh n GLU 13 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2kgh n GLU 13 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.49 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 5.00 0.75 0.00 8.31 0.00 -1.09 -4.12 105.19 114.04 2kgh n GLY 14 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.83 1.61 2.85 -0.41 -4.85 118.16 115.54 2kgh n LYS 15 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 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 -1.25 -0.05 0.00 0.00 177.40 176.10 2kgh s PRO 16 N -2.00 2.76 0.00 -1.58 0.04 -1.26 -1.03 135.00 131.93 2kgh s PRO 16 Ca 0.00 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2kgh s PRO 16 Cb 0.00 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2kgh s PRO 16 CO 0.00 -2.54 0.00 0.00 0.04 0.00 0.00 177.00 174.50 2kgh s LYS 18 N 1.14 1.45 -0.25 0.00 0.00 -1.26 -1.54 119.74 119.28 2kgh s LYS 18 Ca 0.00 -1.38 -0.37 0.00 0.00 0.00 0.00 55.97 54.22 2kgh s LYS 18 Cb 0.00 -2.73 -0.13 0.00 0.00 0.00 0.00 37.83 34.97 2kgh s LYS 18 CO 0.00 -0.80 1.91 -2.30 0.00 0.00 0.00 175.35 174.16 2kgh n PRO 19 N 4.52 1.40 -4.29 1.78 -0.02 -1.26 -4.61 135.00 132.52 2kgh n PRO 19 Ca -0.04 0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2kgh n PRO 19 Cb 0.43 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.48 2.97 0.00 -0.52 -0.14 -1.26 -4.62 119.74 120.64 2kgh s LYS 20 Ca 1.00 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 2kgh s LYS 20 Cb -0.92 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 2kgh s LYS 20 CO 0.58 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 2kgh n GLY 21 N 4.45 2.97 3.65 -3.33 0.00 -1.26 -4.81 105.19 106.86 2kgh n GLY 21 Ca -0.21 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 4.20 -0.02 1.61 0.41 -1.26 -4.89 118.70 118.75 2kgh s GLU 22 Ca 0.00 1.11 0.20 0.00 -0.41 0.00 0.00 54.97 55.87 2kgh s GLU 22 Cb 0.00 -3.65 -0.28 0.00 -1.78 0.00 0.00 34.13 28.42 2kgh s GLU 22 CO 0.00 -0.59 0.56 1.17 -0.49 0.00 0.00 175.26 175.91 2kgh n LYS 23 N 6.19 0.59 0.14 1.61 4.81 -1.26 -4.30 118.16 125.94 2kgh n LYS 23 Ca 0.08 -0.13 0.01 0.00 -0.87 0.00 0.00 58.31 57.41 2kgh n LYS 23 Cb 0.47 -1.46 0.10 0.00 0.02 0.00 0.00 35.03 34.15 2kgh n LYS 23 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kgh h LYS 24 N 0.00 0.00 -5.72 1.64 3.64 -1.98 -3.43 116.57 110.72 2kgh h LYS 24 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 2kgh h LYS 24 Cb 0.78 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 2kgh h LYS 24 CO 0.00 0.58 -0.51 0.00 -2.27 0.00 0.00 179.45 177.26 2kgh n THR 26 N 1.88 0.00 -2.33 0.00 -2.24 -1.26 -4.62 114.28 105.70 2kgh n THR 26 Ca -0.19 -1.16 -0.40 0.00 -2.27 0.00 0.00 64.05 60.04 2kgh n THR 26 Cb 0.54 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 2kgh n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kgh s GLY 27 N -3.52 2.98 0.00 3.38 0.00 -1.26 -3.82 107.32 105.08 2kgh s GLY 27 Ca 0.35 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2kgh s GLY 27 CO 0.22 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.52 2kgh n GLY 28 N 0.89 1.94 3.20 0.20 0.00 -0.59 -5.01 105.19 105.82 2kgh n GLY 28 Ca 0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 2.16 -0.14 1.61 0.52 -0.70 -1.11 118.94 119.28 2kgh s TRP 29 Ca 0.00 -0.71 -0.25 0.00 0.02 0.00 0.00 56.10 55.17 2kgh s TRP 29 Cb 0.00 -1.44 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 2kgh s TRP 29 CO 0.00 -0.25 0.80 1.03 0.02 0.00 0.00 176.95 178.55 2kgh s ARG 30 N 0.07 4.34 0.09 4.98 0.52 0.14 -0.17 118.95 128.92 2kgh s ARG 30 Ca -0.08 0.99 -0.31 0.00 -0.52 0.00 0.00 55.73 55.81 2kgh s ARG 30 Cb -0.14 -3.54 -0.07 0.00 0.52 0.00 0.00 34.95 31.72 2kgh s ARG 30 CO 0.04 -0.21 1.30 0.00 0.02 0.00 0.00 175.30 176.45 2kgh s LYS 32 N 1.08 1.30 0.55 0.00 -2.85 -0.02 -1.28 119.74 118.51 2kgh s LYS 32 Ca 0.62 -1.70 0.31 0.00 -1.00 0.00 0.00 55.97 54.20 2kgh s LYS 32 Cb -0.33 0.18 1.47 0.00 -2.06 0.00 0.00 37.83 37.09 2kgh s LYS 32 CO 0.30 -0.40 1.88 0.97 0.10 0.00 0.00 175.35 178.20 2kgh h ILE 33 N 2.52 0.51 0.00 3.79 2.10 -1.95 -2.58 117.51 121.91 2kgh h ILE 33 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2kgh h ILE 33 Cb 1.25 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2kgh h ILE 33 CO 0.53 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 177.89 2kgh n LYS 34 N -4.16 4.60 -3.79 2.19 4.76 -1.26 -5.08 118.16 115.42 2kgh n LYS 34 Ca 0.17 -0.14 -0.03 0.00 -2.87 0.00 0.00 58.31 55.43 2kgh n LYS 34 Cb 0.92 -0.64 -0.00 0.00 -1.84 0.00 0.00 35.03 33.47 2kgh n LYS 34 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kgh s LEU 35 N -1.40 -0.12 -0.30 -0.35 1.43 -0.97 -5.10 118.68 111.87 2kgh s LEU 35 Ca 0.00 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 2kgh s LEU 35 Cb 0.00 2.16 -0.03 0.00 0.03 0.00 0.00 46.19 48.35 2kgh s LEU 35 CO 0.00 -0.96 0.25 0.00 0.23 0.00 0.00 176.35 175.87 2kgh s LEU 37 N 1.83 1.35 0.19 0.00 2.96 0.44 -4.87 118.68 120.56 2kgh s LEU 37 Ca 0.08 -0.57 -0.31 0.00 -0.22 0.00 0.00 54.13 53.11 2kgh s LEU 37 Cb -0.16 -0.78 -0.16 0.00 0.50 0.00 0.00 46.19 45.59 2kgh s LEU 37 CO 0.11 -0.20 0.90 2.29 -1.32 0.00 0.00 176.35 178.13 2kgh n LYS 38 N 4.95 0.67 0.00 1.98 0.00 -1.26 0.26 118.16 124.76 2kgh n LYS 38 Ca -0.11 0.24 0.13 0.00 -0.00 0.00 0.00 58.31 58.57 2kgh n LYS 38 Cb 0.48 -1.54 0.33 0.00 -0.00 0.00 0.00 35.03 34.30 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91