#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 2.89 0.21 4.28 2.19 -1.26 -5.06 117.98 121.22 2kgh s PHE 2 Ca 0.00 -2.99 -0.06 0.00 0.33 0.00 0.00 56.93 54.21 2kgh s PHE 2 Cb 0.00 -2.50 -0.02 0.00 -1.31 0.00 0.00 43.02 39.19 2kgh s PHE 2 CO 0.00 -0.71 0.26 -1.83 1.83 0.00 0.00 175.22 174.77 2kgh s GLU 3 N -0.36 1.31 0.00 10.12 -1.05 -1.26 -4.89 118.70 122.56 2kgh s GLU 3 Ca 0.19 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.57 2kgh s GLU 3 Cb -0.20 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 2kgh s GLU 3 CO -0.04 -0.48 0.00 0.00 0.95 0.00 0.00 175.26 175.69 2kgh s VAL 5 N -4.00 0.34 -1.29 0.00 1.01 -1.26 -5.02 120.40 110.18 2kgh s VAL 5 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2kgh s VAL 5 Cb 0.00 -1.24 0.14 0.00 0.00 0.00 0.00 36.38 35.28 2kgh s VAL 5 CO 0.00 -0.65 2.33 0.33 0.00 0.00 0.00 175.10 177.11 2kgh n PHE 6 N 5.08 2.62 1.54 5.22 -0.00 -1.26 -3.60 117.46 127.05 2kgh n PHE 6 Ca -0.05 -2.80 0.14 0.00 -0.00 0.00 0.00 57.45 54.75 2kgh n PHE 6 Cb 0.43 -1.77 0.56 0.00 -0.00 0.00 0.00 39.48 38.69 2kgh n PHE 6 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2kgh n SER 7 N 1.54 1.38 -0.87 -2.13 3.41 -1.26 -4.63 113.62 111.05 2kgh n SER 7 Ca 0.61 -1.45 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 2kgh n SER 7 Cb 0.25 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 2kgh n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kgh s ASP 9 N -2.35 6.19 0.00 0.00 1.11 -1.26 -4.76 116.67 115.60 2kgh s ASP 9 Ca 0.00 2.65 0.29 0.00 0.18 0.00 0.00 52.55 55.67 2kgh s ASP 9 Cb 0.00 -2.64 1.30 0.00 1.07 0.00 0.00 42.92 42.66 2kgh s ASP 9 CO 0.00 -0.93 1.95 2.30 1.18 0.00 0.00 175.17 179.67 2kgh n ILE 10 N -0.03 0.00 -0.03 0.77 -5.35 -1.26 -0.38 119.36 113.08 2kgh n ILE 10 Ca 0.05 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.40 2kgh n ILE 10 Cb 0.44 -0.47 -0.10 0.00 -1.74 0.00 0.00 39.64 37.77 2kgh n ILE 10 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2kgh h LYS 11 N 0.01 -0.04 0.00 6.28 3.64 -1.95 -3.41 116.57 121.10 2kgh h LYS 11 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kgh h LYS 11 Cb 0.43 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2kgh h LYS 11 CO 0.00 0.67 -0.04 0.87 -2.27 0.00 0.00 179.45 178.68 2kgh h LYS 12 N -0.84 0.00 0.00 1.90 1.57 -1.86 -3.47 116.57 113.86 2kgh h LYS 12 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kgh h LYS 12 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2kgh h LYS 12 CO 0.01 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.98 2kgh n GLU 13 N -2.69 1.84 0.00 3.15 0.00 0.49 -4.79 120.64 118.64 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.46 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 0.76 0.00 8.31 0.00 -1.23 -4.18 105.19 113.85 2kgh n GLY 14 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.57 -2.95 1.61 2.85 -0.48 -4.89 118.16 111.74 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 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 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 -1.50 3.46 0.00 -1.58 0.04 -1.26 -1.58 135.00 132.58 2kgh s PRO 16 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2kgh s PRO 16 Cb 0.00 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2kgh s PRO 16 CO 0.00 -1.09 0.00 0.00 0.04 0.00 0.00 177.00 175.95 2kgh s LYS 18 N 3.59 1.47 0.21 0.00 0.00 -1.26 -2.41 119.74 121.35 2kgh s LYS 18 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 55.97 55.48 2kgh s LYS 18 Cb 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 37.83 36.59 2kgh s LYS 18 CO 0.00 0.15 0.29 -0.35 0.00 0.00 0.00 175.35 175.44 2kgh n PRO 19 N 3.34 -0.09 -3.59 1.78 -0.04 -1.26 -4.55 135.00 130.58 2kgh n PRO 19 Ca -0.19 -0.53 -0.25 0.00 -0.04 0.00 0.00 63.50 62.48 2kgh n PRO 19 Cb 0.53 -0.28 -0.16 0.00 -0.04 0.00 0.00 33.50 33.55 2kgh n PRO 19 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kgh s LYS 20 N -3.50 0.08 -0.73 0.54 2.20 -1.26 -4.87 119.74 112.20 2kgh s LYS 20 Ca 0.17 -0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.67 2kgh s LYS 20 Cb -0.01 -1.71 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 2kgh s LYS 20 CO 0.12 -0.69 0.63 0.41 -0.36 0.00 0.00 175.35 175.46 2kgh n GLY 21 N 5.28 0.07 3.68 5.54 0.00 -1.26 -5.01 105.19 113.49 2kgh n GLY 21 Ca -0.07 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.40 2.85 0.00 1.61 0.41 -1.26 -4.95 118.70 111.95 2kgh s GLU 22 Ca 0.22 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 2kgh s GLU 22 Cb -0.10 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 2kgh s GLU 22 CO 0.41 0.65 0.00 0.36 -0.49 0.00 0.00 175.26 176.19 2kgh n LYS 23 N 1.60 2.79 -0.05 1.61 2.85 -1.26 -4.86 118.16 120.84 2kgh n LYS 23 Ca -0.16 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.04 2kgh n LYS 23 Cb 0.53 -0.21 -0.06 0.00 -0.65 0.00 0.00 35.03 34.63 2kgh n LYS 23 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2kgh n LYS 24 N -0.40 1.24 -2.65 -1.58 4.81 -1.26 -4.87 118.16 113.45 2kgh n LYS 24 Ca 0.00 0.04 -0.43 0.00 -0.87 0.00 0.00 58.31 57.05 2kgh n LYS 24 Cb 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 35.03 33.78 2kgh n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kgh s THR 26 N 2.99 0.33 0.00 0.00 2.01 -1.26 -4.94 115.64 114.77 2kgh s THR 26 Ca 0.46 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2kgh s THR 26 Cb -0.16 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2kgh s THR 26 CO 0.09 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2kgh n GLY 27 N 3.07 0.96 3.08 4.40 0.00 -1.26 -4.72 105.19 110.71 2kgh n GLY 27 Ca -0.14 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 1.72 -0.67 -0.02 0.00 -1.26 -5.04 107.32 102.05 2kgh s GLY 28 Ca 0.00 -1.90 -0.20 0.00 0.00 0.00 0.00 44.72 42.61 2kgh s GLY 28 CO 0.00 0.68 0.88 -0.98 0.00 0.00 0.00 173.10 173.68 2kgh s TRP 29 N 1.09 2.88 -0.36 1.90 0.51 -1.01 -0.32 118.94 123.62 2kgh s TRP 29 Ca -0.05 -0.84 -0.21 0.00 -2.12 0.00 0.00 56.10 52.87 2kgh s TRP 29 Cb -0.20 -4.17 0.00 0.00 -0.81 0.00 0.00 33.47 28.29 2kgh s TRP 29 CO -0.05 -1.48 0.67 1.03 -0.51 0.00 0.00 176.95 176.61 2kgh s ARG 30 N 3.28 3.68 -0.02 4.98 1.81 0.82 -0.08 118.95 133.42 2kgh s ARG 30 Ca 0.19 0.10 -0.29 0.00 -1.72 0.00 0.00 55.73 54.01 2kgh s ARG 30 Cb -0.18 -3.81 -0.03 0.00 -0.45 0.00 0.00 34.95 30.47 2kgh s ARG 30 CO 0.06 -0.77 0.92 0.00 -0.68 0.00 0.00 175.30 174.83 2kgh n LYS 32 N 3.93 0.37 0.33 0.00 4.81 -0.63 -1.38 118.16 125.59 2kgh n LYS 32 Ca 0.05 -2.76 0.21 0.00 -0.87 0.00 0.00 58.31 54.94 2kgh n LYS 32 Cb 0.51 2.19 1.16 0.00 0.02 0.00 0.00 35.03 38.90 2kgh n LYS 32 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2kgh h ILE 33 N 1.85 0.11 -0.91 3.15 6.09 -1.95 -0.68 117.51 125.16 2kgh h ILE 33 Ca -0.20 -0.01 -0.57 0.00 -1.37 0.00 0.00 64.86 62.71 2kgh h ILE 33 Cb 0.99 1.01 -0.29 0.00 0.47 0.00 0.00 36.82 39.00 2kgh h ILE 33 CO 0.30 0.00 0.55 0.29 -3.07 0.00 0.00 178.15 176.21 2kgh n LYS 34 N -3.23 2.56 0.00 2.19 5.02 -1.26 -5.05 118.16 118.38 2kgh n LYS 34 Ca -0.03 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 2kgh n LYS 34 Cb 0.08 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 2kgh n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kgh n LEU 35 N -0.99 0.00 -4.67 -0.35 4.32 -0.26 -4.68 117.00 110.37 2kgh n LEU 35 Ca 0.57 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 56.14 2kgh n LEU 35 Cb 1.04 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.81 2kgh n LEU 35 CO 0.64 -0.11 1.27 0.00 -1.22 0.00 0.00 177.39 177.97 2kgh s LEU 37 N 3.39 1.41 0.08 0.00 1.43 0.90 -4.92 118.68 120.98 2kgh s LEU 37 Ca 0.69 -0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 53.37 2kgh s LEU 37 Cb -0.32 -0.37 -0.11 0.00 0.03 0.00 0.00 46.19 45.42 2kgh s LEU 37 CO 0.27 -0.04 1.82 1.17 0.23 0.00 0.00 176.35 179.79 2kgh n LYS 38 N 3.87 2.58 0.00 1.70 4.81 -1.26 -0.13 118.16 129.73 2kgh n LYS 38 Ca -0.24 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 2kgh n LYS 38 Cb 0.52 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.76 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08