#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 2.56 -0.27 9.51 -0.12 -1.26 -5.10 117.98 123.30 2kgh s PHE 2 Ca 0.00 -0.84 -0.06 0.00 -0.05 0.00 0.00 56.93 55.98 2kgh s PHE 2 Cb 0.00 -1.69 -0.00 0.00 -0.63 0.00 0.00 43.02 40.70 2kgh s PHE 2 CO 0.00 -0.29 0.06 -1.21 -0.05 0.00 0.00 175.22 173.73 2kgh s GLU 3 N 0.12 3.26 0.09 1.99 2.02 -1.26 -4.95 118.70 119.97 2kgh s GLU 3 Ca -0.11 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 2kgh s GLU 3 Cb -0.16 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.78 2kgh s GLU 3 CO 0.06 -0.35 0.17 0.00 0.02 0.00 0.00 175.26 175.16 2kgh s VAL 5 N -2.78 3.45 -0.40 0.00 1.01 -1.26 -4.95 120.40 115.47 2kgh s VAL 5 Ca 0.04 -1.84 0.09 0.00 0.00 0.00 0.00 61.98 60.27 2kgh s VAL 5 Cb -0.01 -2.91 0.30 0.00 0.00 0.00 0.00 36.38 33.76 2kgh s VAL 5 CO 0.03 -0.34 0.71 0.33 0.00 0.00 0.00 175.10 175.83 2kgh n PHE 6 N -0.96 -0.64 1.10 5.22 -0.00 -1.26 -4.67 117.46 116.25 2kgh n PHE 6 Ca -0.06 -3.38 0.13 0.00 -0.00 0.00 0.00 57.45 54.14 2kgh n PHE 6 Cb 0.59 -0.01 0.40 0.00 -0.00 0.00 0.00 39.48 40.46 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 0.82 0.46 0.00 -2.13 7.64 -1.26 -4.81 113.62 114.33 2kgh n SER 7 Ca 0.20 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2kgh n SER 7 Cb 0.61 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 -1.97 6.05 0.51 0.00 1.01 -1.26 -4.79 116.67 116.21 2kgh s ASP 9 Ca 0.00 2.32 0.33 0.00 0.71 0.00 0.00 52.55 55.91 2kgh s ASP 9 Cb 0.00 -2.60 1.47 0.00 1.01 0.00 0.00 42.92 42.80 2kgh s ASP 9 CO 0.00 -1.00 1.98 -0.29 0.21 0.00 0.00 175.17 176.07 2kgh h ILE 10 N 1.76 0.00 0.00 0.77 2.10 -1.87 0.47 117.51 120.74 2kgh h ILE 10 Ca -0.50 -0.35 -0.09 0.00 1.08 0.00 0.00 64.86 65.01 2kgh h ILE 10 Cb 1.25 1.27 -0.02 0.00 -1.09 0.00 0.00 36.82 38.24 2kgh h ILE 10 CO 0.60 0.00 -1.09 0.11 -1.08 0.00 0.00 178.15 176.68 2kgh h LYS 11 N 0.00 0.00 0.00 2.19 1.57 -2.00 -3.41 116.57 114.93 2kgh h LYS 11 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2kgh h LYS 11 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2kgh h LYS 11 CO 0.00 0.19 -1.94 1.63 -0.57 0.00 0.00 179.45 178.75 2kgh n LYS 12 N -2.86 0.47 -0.85 3.15 4.76 -0.91 -5.04 118.16 116.89 2kgh n LYS 12 Ca -0.04 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2kgh n LYS 12 Cb 0.70 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2kgh n LYS 12 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2kgh n GLU 13 N -4.07 2.06 0.00 1.97 -0.58 0.16 -4.69 120.64 115.48 2kgh n GLU 13 Ca -0.37 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 2kgh n GLU 13 Cb 0.73 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.60 2kgh n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kgh n GLY 14 N 5.00 0.45 0.00 0.62 0.00 -1.24 -4.23 105.19 105.79 2kgh n GLY 14 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.12 -2.44 1.61 2.85 -0.56 -4.90 118.16 112.59 2kgh n LYS 15 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 2kgh n LYS 15 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 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 3.62 0.00 -1.58 0.02 -1.26 -1.18 135.00 132.62 2kgh s PRO 16 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2kgh s PRO 16 Cb 0.00 -3.99 0.00 0.00 0.02 0.00 0.00 34.50 30.53 2kgh s PRO 16 CO 0.00 -1.51 0.00 0.00 -0.33 0.00 0.00 177.00 175.16 2kgh s LYS 18 N 1.68 2.07 0.00 0.00 0.00 -1.26 -2.41 119.74 119.82 2kgh s LYS 18 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 55.97 55.48 2kgh s LYS 18 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 37.83 35.98 2kgh s LYS 18 CO 0.00 -0.14 0.00 -2.30 0.00 0.00 0.00 175.35 172.91 2kgh n PRO 19 N 4.44 0.88 -2.06 1.78 -0.02 -1.26 -4.51 135.00 134.25 2kgh n PRO 19 Ca -0.18 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 2kgh n PRO 19 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.01 2kgh n PRO 19 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kgh n LYS 20 N -0.10 3.22 -0.57 -0.52 5.02 -1.26 -4.86 118.16 119.09 2kgh n LYS 20 Ca 0.00 -4.02 0.00 0.00 -2.02 0.00 0.00 58.31 52.27 2kgh n LYS 20 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 2kgh n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kgh n GLY 21 N -0.62 0.76 3.18 0.72 0.00 -1.26 -5.11 105.19 102.85 2kgh n GLY 21 Ca 0.47 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2kgh n GLY 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kgh s GLU 22 N -2.38 0.84 0.00 1.61 -1.05 -1.26 -4.99 118.70 111.46 2kgh s GLU 22 Ca 0.00 -0.99 0.08 0.00 -0.15 0.00 0.00 54.97 53.91 2kgh s GLU 22 Cb 0.00 -0.83 0.11 0.00 -0.44 0.00 0.00 34.13 32.97 2kgh s GLU 22 CO 0.00 0.18 0.88 1.63 0.95 0.00 0.00 175.26 178.90 2kgh n LYS 23 N 1.19 0.92 0.16 -4.83 5.02 -1.26 -4.51 118.16 114.85 2kgh n LYS 23 Ca -0.21 -1.24 0.03 0.00 -2.02 0.00 0.00 58.31 54.88 2kgh n LYS 23 Cb 0.54 -1.16 0.41 0.00 -0.02 0.00 0.00 35.03 34.80 2kgh n LYS 23 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kgh h LYS 24 N 1.51 0.13 -5.88 1.97 1.63 -2.01 -3.40 116.57 110.52 2kgh h LYS 24 Ca 0.00 -0.03 -0.55 0.00 -0.85 0.00 0.00 60.65 59.21 2kgh h LYS 24 Cb 0.43 -0.02 -0.26 0.00 -0.60 0.00 0.00 32.23 31.78 2kgh h LYS 24 CO 0.00 0.33 -0.83 0.00 -3.45 0.00 0.00 179.45 175.50 2kgh s THR 26 N -0.72 0.10 0.00 0.00 2.01 -1.26 -4.89 115.64 110.88 2kgh s THR 26 Ca 0.06 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2kgh s THR 26 Cb -0.08 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.31 2kgh s THR 26 CO 0.01 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2kgh n GLY 27 N 3.24 0.81 3.16 4.40 0.00 -1.26 -4.59 105.19 110.94 2kgh n GLY 27 Ca -0.15 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2kgh n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgh s GLY 28 N 0.00 1.65 -0.70 -0.02 0.00 -1.26 -5.02 107.32 101.97 2kgh s GLY 28 Ca 0.00 -1.59 -0.17 0.00 0.00 0.00 0.00 44.72 42.96 2kgh s GLY 28 CO 0.00 0.56 0.75 -0.98 0.00 0.00 0.00 173.10 173.43 2kgh s TRP 29 N 1.25 3.27 -0.26 1.90 0.51 -1.01 -0.84 118.94 123.76 2kgh s TRP 29 Ca -0.03 -1.37 -0.19 0.00 -2.12 0.00 0.00 56.10 52.39 2kgh s TRP 29 Cb -0.18 -3.96 -0.02 0.00 -0.81 0.00 0.00 33.47 28.50 2kgh s TRP 29 CO -0.04 -1.19 0.56 1.03 -0.51 0.00 0.00 176.95 176.79 2kgh s ARG 30 N 1.79 4.08 -0.22 4.98 0.52 0.50 0.04 118.95 130.65 2kgh s ARG 30 Ca 0.15 0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.47 2kgh s ARG 30 Cb -0.19 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 2kgh s ARG 30 CO -0.01 -0.38 1.31 0.00 0.02 0.00 0.00 175.30 176.25 2kgh s LYS 32 N 3.85 1.17 0.00 0.00 2.20 -0.32 -1.50 119.74 125.14 2kgh s LYS 32 Ca 0.57 -1.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 2kgh s LYS 32 Cb -0.20 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 2kgh s LYS 32 CO 0.19 -1.00 0.00 0.44 -0.36 0.00 0.00 175.35 174.62 2kgh n ILE 33 N 4.34 0.00 -0.10 5.43 -5.35 -1.26 -2.57 119.36 119.84 2kgh n ILE 33 Ca 0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.36 2kgh n ILE 33 Cb 0.40 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.21 2kgh n ILE 33 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2kgh n LYS 34 N 0.00 0.54 -4.20 6.28 4.76 -1.26 -4.80 118.16 119.48 2kgh n LYS 34 Ca 0.00 0.11 -0.17 0.00 -2.87 0.00 0.00 58.31 55.38 2kgh n LYS 34 Cb 0.00 -1.40 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 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 -6.14 1.42 -0.11 -0.35 1.43 -1.06 -5.11 118.68 108.76 2kgh s LEU 35 Ca -0.26 -1.63 -0.27 0.00 -1.03 0.00 0.00 54.13 50.93 2kgh s LEU 35 Cb 0.07 0.92 -0.02 0.00 0.03 0.00 0.00 46.19 47.19 2kgh s LEU 35 CO 0.47 -1.15 0.91 0.00 0.23 0.00 0.00 176.35 176.82 2kgh s LEU 37 N 1.77 2.69 0.25 0.00 2.96 0.14 -4.91 118.68 121.58 2kgh s LEU 37 Ca 0.44 -1.12 -0.31 0.00 -0.22 0.00 0.00 54.13 52.93 2kgh s LEU 37 Cb -0.18 -1.30 -0.12 0.00 0.50 0.00 0.00 46.19 45.09 2kgh s LEU 37 CO 0.18 -0.18 1.65 -1.59 -1.32 0.00 0.00 176.35 175.08 2kgh s LYS 38 N 1.31 4.13 0.00 1.98 0.00 -1.26 -0.37 119.74 125.54 2kgh s LYS 38 Ca -0.05 2.58 0.28 0.00 0.00 0.00 0.00 55.97 58.78 2kgh s LYS 38 Cb -0.18 -3.05 1.03 0.00 0.00 0.00 0.00 37.83 35.63 2kgh s LYS 38 CO -0.07 -0.68 1.73 1.51 0.00 0.00 0.00 175.35 177.84