#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 -1.91 -3.85 1.39 7.35 -1.26 -5.02 117.46 114.15 2kgh n PHE 2 Ca 0.00 0.73 -0.37 0.00 -0.76 0.00 0.00 57.45 57.05 2kgh n PHE 2 Cb 0.00 -3.18 -0.06 0.00 0.35 0.00 0.00 39.48 36.60 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 -3.00 3.48 0.22 -4.13 2.12 -1.26 -4.88 118.70 111.25 2kgh s GLU 3 Ca 0.00 -0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.02 2kgh s GLU 3 Cb -0.00 -3.18 0.07 0.00 0.26 0.00 0.00 34.13 31.28 2kgh s GLU 3 CO 0.48 0.76 0.96 0.00 -0.54 0.00 0.00 175.26 176.91 2kgh s VAL 5 N -2.09 2.18 -1.17 0.00 1.01 -1.26 -4.99 120.40 114.09 2kgh s VAL 5 Ca 0.21 -2.19 -0.05 0.00 0.00 0.00 0.00 61.98 59.95 2kgh s VAL 5 Cb -0.03 -2.57 0.24 0.00 0.00 0.00 0.00 36.38 34.02 2kgh s VAL 5 CO 0.06 -0.52 1.79 0.33 0.00 0.00 0.00 175.10 176.77 2kgh n PHE 6 N 4.31 2.57 1.31 5.22 -0.00 -1.26 -3.57 117.46 126.04 2kgh n PHE 6 Ca 0.01 -2.67 0.13 0.00 -0.00 0.00 0.00 57.45 54.92 2kgh n PHE 6 Cb 0.42 -1.54 0.38 0.00 -0.00 0.00 0.00 39.48 38.74 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 1.95 1.51 0.00 -2.13 7.64 -1.26 -4.41 113.62 116.92 2kgh n SER 7 Ca 0.39 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2kgh n SER 7 Cb 0.32 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.04 5.39 0.00 0.00 1.11 -1.26 -4.73 116.67 115.13 2kgh s ASP 9 Ca 0.00 2.58 0.29 0.00 0.18 0.00 0.00 52.55 55.59 2kgh s ASP 9 Cb 0.00 -2.62 1.23 0.00 1.07 0.00 0.00 42.92 42.61 2kgh s ASP 9 CO 0.00 -1.47 1.92 2.30 1.18 0.00 0.00 175.17 179.10 2kgh n ILE 10 N -1.11 0.03 -0.00 0.77 -5.35 -1.26 -0.07 119.36 112.38 2kgh n ILE 10 Ca 0.11 0.01 -0.10 0.00 -0.27 0.00 0.00 62.75 62.50 2kgh n ILE 10 Cb 0.47 -0.52 -0.14 0.00 -1.74 0.00 0.00 39.64 37.71 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 0.00 0.03 0.00 6.28 3.64 -1.99 -3.42 116.57 121.12 2kgh h LYS 11 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kgh h LYS 11 Cb 0.48 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2kgh h LYS 11 CO 0.00 0.66 -0.82 1.63 -2.27 0.00 0.00 179.45 178.65 2kgh n LYS 12 N -3.15 0.50 -0.58 1.90 5.02 -1.11 -4.97 118.16 115.78 2kgh n LYS 12 Ca -0.15 0.34 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 2kgh n LYS 12 Cb 1.03 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 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 -4.52 0.52 0.00 1.97 0.00 0.90 -4.70 120.64 114.80 2kgh n GLU 13 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 57.16 56.98 2kgh n GLU 13 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 31.44 31.85 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 4.83 0.23 0.00 8.31 0.00 -1.21 -4.15 105.19 113.21 2kgh n GLY 14 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.70 -2.33 1.61 2.85 -0.61 -4.91 118.16 112.06 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 -1.00 135.00 132.80 2kgh s PRO 16 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.06 2kgh s PRO 16 Cb 0.00 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.51 2kgh s PRO 16 CO 0.00 -1.50 0.00 0.00 -0.33 0.00 0.00 177.00 175.17 2kgh s LYS 18 N 0.39 2.88 0.83 0.00 0.00 -1.26 -2.53 119.74 120.05 2kgh s LYS 18 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 55.97 54.85 2kgh s LYS 18 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 37.83 34.64 2kgh s LYS 18 CO 0.00 -0.46 0.42 -0.35 0.00 0.00 0.00 175.35 174.96 2kgh n PRO 19 N 4.75 0.04 -3.06 1.78 -0.04 -1.26 -4.57 135.00 132.64 2kgh n PRO 19 Ca -0.15 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2kgh n PRO 19 Cb 0.47 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.09 0.32 0.00 0.54 2.36 -1.26 -4.95 119.74 113.66 2kgh s LYS 20 Ca 0.61 0.11 0.00 0.00 -2.55 0.00 0.00 55.97 54.14 2kgh s LYS 20 Cb -0.28 0.09 0.00 0.00 -1.05 0.00 0.00 37.83 36.59 2kgh s LYS 20 CO 0.63 -0.53 0.00 0.41 1.55 0.00 0.00 175.35 177.41 2kgh n GLY 21 N 4.70 1.10 3.26 5.54 0.00 -1.26 -4.80 105.19 113.73 2kgh n GLY 21 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.62 2.12 0.00 1.61 0.41 -1.26 -4.99 118.70 115.98 2kgh s GLU 22 Ca 0.00 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 2kgh s GLU 22 Cb 0.00 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.40 2kgh s GLU 22 CO 0.00 0.46 0.26 1.17 -0.49 0.00 0.00 175.26 176.66 2kgh n LYS 23 N 2.68 1.98 0.24 1.61 4.81 -1.26 -4.85 118.16 123.37 2kgh n LYS 23 Ca -0.16 -0.26 -0.14 0.00 -0.87 0.00 0.00 58.31 56.87 2kgh n LYS 23 Cb 0.52 -0.74 -0.08 0.00 0.02 0.00 0.00 35.03 34.75 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 -0.61 0.00 1.64 3.11 -1.96 -3.46 116.57 115.29 2kgh h LYS 24 Ca 0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2kgh h LYS 24 Cb 0.03 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2kgh h LYS 24 CO 0.00 -0.30 0.00 0.00 -2.81 0.00 0.00 179.45 176.34 2kgh s THR 26 N -0.05 0.00 0.00 0.00 -1.32 -1.26 -5.08 115.64 107.94 2kgh s THR 26 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2kgh s THR 26 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2kgh s THR 26 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2kgh n GLY 27 N 1.10 1.20 3.55 6.08 0.00 -1.26 -4.69 105.19 111.17 2kgh n GLY 27 Ca -0.13 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 1.83 -0.44 -0.02 0.00 -1.26 -4.99 107.32 102.44 2kgh s GLY 28 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 2kgh s GLY 28 CO 0.00 0.19 0.30 -0.98 0.00 0.00 0.00 173.10 172.60 2kgh s TRP 29 N 0.77 3.41 -0.62 1.90 0.52 -1.05 -0.13 118.94 123.75 2kgh s TRP 29 Ca 0.03 -1.82 -0.28 0.00 0.02 0.00 0.00 56.10 54.05 2kgh s TRP 29 Cb -0.14 -3.27 0.02 0.00 -1.15 0.00 0.00 33.47 28.93 2kgh s TRP 29 CO 0.02 -0.94 1.38 1.03 0.02 0.00 0.00 176.95 178.46 2kgh s ARG 30 N 1.36 3.25 -0.15 4.98 0.52 -0.80 -0.44 118.95 127.66 2kgh s ARG 30 Ca 0.05 0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 2kgh s ARG 30 Cb -0.25 -4.14 -0.04 0.00 0.52 0.00 0.00 34.95 31.04 2kgh s ARG 30 CO -0.00 -2.02 1.63 0.00 0.02 0.00 0.00 175.30 174.92 2kgh s LYS 32 N 4.41 0.37 0.00 0.00 2.47 -0.25 -1.58 119.74 125.16 2kgh s LYS 32 Ca 0.72 1.08 0.00 0.00 -1.56 0.00 0.00 55.97 56.21 2kgh s LYS 32 Cb -0.28 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.46 2kgh s LYS 32 CO 0.29 -0.24 0.00 1.51 0.16 0.00 0.00 175.35 177.07 2kgh n ILE 33 N 5.29 0.00 -0.06 5.43 3.06 -1.26 -2.56 119.36 129.26 2kgh n ILE 33 Ca -0.10 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.03 2kgh n ILE 33 Cb 0.50 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.64 2kgh n ILE 33 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2kgh n LYS 34 N 0.00 0.35 0.00 9.51 5.02 -1.26 -5.04 118.16 126.74 2kgh n LYS 34 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2kgh n LYS 34 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 -3.97 0.00 -4.74 -0.35 4.77 -1.06 -5.12 117.00 106.53 2kgh n LEU 35 Ca -0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 2kgh n LEU 35 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2kgh n LEU 35 CO 0.08 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 176.85 2kgh s LEU 37 N -0.32 3.98 -0.03 0.00 2.01 0.15 -4.78 118.68 119.69 2kgh s LEU 37 Ca 0.47 -2.89 -0.02 0.00 0.01 0.00 0.00 54.13 51.69 2kgh s LEU 37 Cb -0.26 -1.51 -0.01 0.00 0.01 0.00 0.00 46.19 44.42 2kgh s LEU 37 CO 0.32 -0.24 0.10 0.29 1.01 0.00 0.00 176.35 177.83 2kgh n LYS 38 N 3.25 0.00 0.00 1.70 5.02 -1.24 -1.91 118.16 124.98 2kgh n LYS 38 Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 2kgh n LYS 38 Cb 0.33 -0.08 0.13 0.00 -0.02 0.00 0.00 35.03 35.39 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39