#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgh n PHE 2 N 0.00 -0.19 -2.52 4.28 7.35 -1.26 -5.13 117.46 119.99 2kgh n PHE 2 Ca 0.00 -0.66 -0.38 0.00 -0.76 0.00 0.00 57.45 55.66 2kgh n PHE 2 Cb 0.00 0.51 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 2kgh n PHE 2 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2kgh s GLU 3 N -0.05 4.31 0.06 -4.13 2.12 -1.26 -4.57 118.70 115.18 2kgh s GLU 3 Ca 0.06 1.60 -0.22 0.00 0.36 0.00 0.00 54.97 56.77 2kgh s GLU 3 Cb 0.10 -2.75 0.08 0.00 0.26 0.00 0.00 34.13 31.82 2kgh s GLU 3 CO -0.04 -0.03 1.03 0.00 -0.54 0.00 0.00 175.26 175.68 2kgh s VAL 5 N -2.07 2.79 -1.18 0.00 1.01 -1.26 -4.96 120.40 114.72 2kgh s VAL 5 Ca 0.24 -1.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.23 2kgh s VAL 5 Cb -0.01 -2.86 0.22 0.00 0.00 0.00 0.00 36.38 33.73 2kgh s VAL 5 CO 0.02 -0.46 2.10 0.33 0.00 0.00 0.00 175.10 177.09 2kgh n PHE 6 N 4.48 2.68 1.45 5.22 -0.00 -1.26 -3.30 117.46 126.72 2kgh n PHE 6 Ca -0.04 -2.69 0.14 0.00 -0.00 0.00 0.00 57.45 54.85 2kgh n PHE 6 Cb 0.42 -1.53 0.51 0.00 -0.00 0.00 0.00 39.48 38.88 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 0.91 1.29 -0.07 -2.13 7.64 -1.26 -4.50 113.62 115.50 2kgh n SER 7 Ca 0.54 -1.29 -0.01 0.00 1.01 0.00 0.00 58.87 59.12 2kgh n SER 7 Cb 0.26 0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -2.03 6.16 0.00 0.00 1.11 -1.26 -4.79 116.67 115.85 2kgh s ASP 9 Ca 0.00 2.70 0.24 0.00 0.18 0.00 0.00 52.55 55.67 2kgh s ASP 9 Cb 0.00 -2.64 1.16 0.00 1.07 0.00 0.00 42.92 42.51 2kgh s ASP 9 CO 0.00 -0.96 1.80 0.00 1.18 0.00 0.00 175.17 177.19 2kgh n ILE 10 N -0.03 0.27 0.40 0.77 0.13 -1.26 0.14 119.36 119.78 2kgh n ILE 10 Ca 0.04 0.07 0.08 0.00 -1.10 0.00 0.00 62.75 61.84 2kgh n ILE 10 Cb 0.43 -0.66 0.12 0.00 -0.84 0.00 0.00 39.64 38.69 2kgh n ILE 10 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2kgh n LYS 11 N -1.37 1.75 0.04 9.51 4.76 -1.26 -4.58 118.16 127.01 2kgh n LYS 11 Ca 0.09 -1.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 2kgh n LYS 11 Cb 0.23 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2kgh n LYS 11 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kgh n LYS 12 N 0.95 0.00 -1.41 1.97 5.02 -0.80 -5.05 118.16 118.83 2kgh n LYS 12 Ca 0.12 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.36 2kgh n LYS 12 Cb 0.44 -0.41 0.02 0.00 -0.02 0.00 0.00 35.03 35.06 2kgh n LYS 12 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2kgh n GLU 13 N -3.22 0.79 0.00 1.97 0.00 0.12 -4.46 120.64 115.84 2kgh n GLU 13 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 57.16 56.39 2kgh n GLU 13 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 31.44 31.55 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 3.17 0.20 0.00 8.31 0.00 -1.22 -4.07 105.19 111.58 2kgh n GLY 14 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.26 -2.53 1.61 2.85 -0.77 -4.92 118.16 112.15 2kgh n LYS 15 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 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 3.47 0.00 -1.58 0.02 -1.26 -1.80 135.00 131.85 2kgh s PRO 16 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 61.00 61.35 2kgh s PRO 16 Cb 0.00 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.48 2kgh s PRO 16 CO 0.00 -1.74 0.00 0.00 -0.33 0.00 0.00 177.00 174.93 2kgh s LYS 18 N 1.33 2.23 -0.66 0.00 0.00 -1.26 -2.33 119.74 119.05 2kgh s LYS 18 Ca 0.00 -1.44 -0.26 0.00 0.00 0.00 0.00 55.97 54.27 2kgh s LYS 18 Cb 0.00 -3.23 -0.12 0.00 0.00 0.00 0.00 37.83 34.48 2kgh s LYS 18 CO 0.00 -0.73 2.44 -2.30 0.00 0.00 0.00 175.35 174.76 2kgh n PRO 19 N 4.56 0.73 -3.45 1.78 -0.02 -1.26 -4.64 135.00 132.70 2kgh n PRO 19 Ca -0.09 -0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 60.74 2kgh n PRO 19 Cb 0.43 -3.12 -0.07 0.00 -0.02 0.00 0.00 33.50 30.72 2kgh n PRO 19 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kgh s LYS 20 N 8.47 2.80 0.00 -0.52 2.20 -1.26 -4.32 119.74 127.11 2kgh s LYS 20 Ca 1.04 -1.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2kgh s LYS 20 Cb -0.34 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 2kgh s LYS 20 CO 0.26 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 2kgh n GLY 21 N 4.85 3.02 3.63 5.54 0.00 -1.26 -4.85 105.19 116.11 2kgh n GLY 21 Ca -0.07 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 4.00 0.17 1.61 0.41 -1.26 -4.87 118.70 118.76 2kgh s GLU 22 Ca 0.00 0.94 0.18 0.00 -0.41 0.00 0.00 54.97 55.68 2kgh s GLU 22 Cb 0.00 -3.76 -0.02 0.00 -1.78 0.00 0.00 34.13 28.57 2kgh s GLU 22 CO 0.00 -0.93 1.07 -0.22 -0.49 0.00 0.00 175.26 174.69 2kgh h LYS 23 N 8.23 0.00 0.00 1.61 3.64 -1.97 -3.28 116.57 124.81 2kgh h LYS 23 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2kgh h LYS 23 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2kgh h LYS 23 CO 1.02 0.24 0.00 1.17 -2.27 0.00 0.00 179.45 179.62 2kgh n LYS 24 N -2.93 0.11 -3.98 1.90 4.81 -1.26 -4.70 118.16 112.12 2kgh n LYS 24 Ca -0.04 0.27 -0.22 0.00 -0.87 0.00 0.00 58.31 57.45 2kgh n LYS 24 Cb 0.72 -1.69 -0.05 0.00 0.02 0.00 0.00 35.03 34.04 2kgh n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kgh n THR 26 N -1.25 0.00 0.00 0.00 -1.04 -1.26 -4.96 114.28 105.77 2kgh n THR 26 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kgh n THR 26 Cb 0.61 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2kgh n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kgh n GLY 27 N 2.07 -0.02 3.51 3.41 0.00 -1.26 -4.38 105.19 108.53 2kgh n GLY 27 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 1.59 -0.05 -0.02 0.00 -1.26 -4.31 107.32 103.24 2kgh s GLY 28 Ca 0.00 -2.54 0.05 0.00 0.00 0.00 0.00 44.72 42.24 2kgh s GLY 28 CO 0.00 2.40 -0.21 -0.98 0.00 0.00 0.00 173.10 174.31 2kgh s TRP 29 N 3.91 2.02 -0.17 1.90 0.52 -0.98 -1.12 118.94 125.00 2kgh s TRP 29 Ca 0.41 -0.57 -0.21 0.00 0.02 0.00 0.00 56.10 55.75 2kgh s TRP 29 Cb -0.02 -1.34 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 2kgh s TRP 29 CO -0.09 -0.17 0.61 1.03 0.02 0.00 0.00 176.95 178.35 2kgh s ARG 30 N -0.10 4.25 -0.23 4.98 0.52 0.14 -0.66 118.95 127.85 2kgh s ARG 30 Ca -0.03 0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 55.50 2kgh s ARG 30 Cb -0.12 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.80 2kgh s ARG 30 CO 0.02 -0.15 1.20 0.00 0.02 0.00 0.00 175.30 176.39 2kgh s LYS 32 N 3.61 1.21 -0.73 0.00 2.20 -0.17 -1.84 119.74 124.02 2kgh s LYS 32 Ca 0.52 -1.56 -0.21 0.00 -0.36 0.00 0.00 55.97 54.36 2kgh s LYS 32 Cb -0.18 -0.66 -0.16 0.00 -1.51 0.00 0.00 37.83 35.32 2kgh s LYS 32 CO 0.15 0.01 1.91 -0.89 -0.36 0.00 0.00 175.35 176.17 2kgh n ILE 33 N -0.31 1.76 0.11 5.43 5.41 -1.26 -1.24 119.36 129.25 2kgh n ILE 33 Ca -0.08 -1.47 0.00 0.00 1.00 0.00 0.00 62.75 62.20 2kgh n ILE 33 Cb 0.62 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.27 2kgh n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kgh n LYS 34 N 6.76 0.00 -1.81 0.38 5.02 -1.26 -5.15 118.16 122.09 2kgh n LYS 34 Ca 0.48 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2kgh n LYS 34 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 2kgh n LYS 34 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kgh n LEU 35 N -3.01 0.00 -4.61 -0.35 -0.00 -0.37 -5.12 117.00 103.53 2kgh n LEU 35 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2kgh n LEU 35 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2kgh n LEU 35 CO 0.00 0.00 0.71 0.00 -0.00 0.00 0.00 177.39 178.10 2kgh s LEU 37 N 3.23 1.06 0.22 0.00 2.96 0.10 -4.89 118.68 121.36 2kgh s LEU 37 Ca 0.36 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 2kgh s LEU 37 Cb -0.13 -0.54 -0.15 0.00 0.50 0.00 0.00 46.19 45.86 2kgh s LEU 37 CO 0.15 -0.11 0.94 1.17 -1.32 0.00 0.00 176.35 177.18 2kgh n LYS 38 N 4.58 0.93 0.00 1.98 4.81 -1.26 0.23 118.16 129.43 2kgh n LYS 38 Ca -0.16 0.33 0.15 0.00 -0.87 0.00 0.00 58.31 57.76 2kgh n LYS 38 Cb 0.50 -1.65 0.72 0.00 0.02 0.00 0.00 35.03 34.62 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08