#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 3.05 -0.39 4.28 -0.12 -1.26 -5.05 117.98 118.49 2kgh s PHE 2 Ca 0.00 -0.55 -0.09 0.00 -0.05 0.00 0.00 56.93 56.23 2kgh s PHE 2 Cb 0.00 -2.19 0.06 0.00 -0.63 0.00 0.00 43.02 40.26 2kgh s PHE 2 CO 0.00 -0.39 0.22 -1.21 -0.05 0.00 0.00 175.22 173.79 2kgh s GLU 3 N 1.50 2.66 0.00 1.99 2.02 -1.26 -4.89 118.70 120.72 2kgh s GLU 3 Ca 0.06 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.74 2kgh s GLU 3 Cb -0.15 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.37 2kgh s GLU 3 CO 0.02 -0.83 0.00 0.00 0.02 0.00 0.00 175.26 174.46 2kgh n VAL 5 N 0.00 0.00 -3.51 0.00 0.31 -1.26 -5.05 118.33 108.81 2kgh n VAL 5 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2kgh n VAL 5 Cb 0.00 -0.71 0.05 0.00 -0.91 0.00 0.00 33.84 32.27 2kgh n VAL 5 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2kgh n PHE 6 N -1.60 -2.13 1.07 3.52 -0.00 -1.26 -4.89 117.46 112.16 2kgh n PHE 6 Ca 0.00 0.61 0.12 0.00 -0.00 0.00 0.00 57.45 58.18 2kgh n PHE 6 Cb 0.36 -3.70 0.23 0.00 -0.00 0.00 0.00 39.48 36.37 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 -2.88 0.79 0.00 -2.13 7.64 -1.26 -4.53 113.62 111.25 2kgh n SER 7 Ca -0.08 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2kgh n SER 7 Cb 0.60 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 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 6.01 0.52 0.00 1.01 -1.26 -4.62 116.67 116.30 2kgh s ASP 9 Ca 0.00 2.15 0.17 0.00 0.71 0.00 0.00 52.55 55.57 2kgh s ASP 9 Cb 0.00 -2.58 1.29 0.00 1.01 0.00 0.00 42.92 42.64 2kgh s ASP 9 CO 0.00 -1.02 2.15 -0.29 0.21 0.00 0.00 175.17 176.23 2kgh h ILE 10 N 1.49 0.98 0.12 0.77 2.10 -1.90 0.29 117.51 121.36 2kgh h ILE 10 Ca -0.50 -0.00 -0.29 0.00 1.08 0.00 0.00 64.86 65.15 2kgh h ILE 10 Cb 1.25 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 37.97 2kgh h ILE 10 CO 0.58 0.00 -1.51 0.50 -1.08 0.00 0.00 178.15 176.64 2kgh h LYS 11 N 0.00 0.25 0.11 2.19 1.63 -2.00 -3.41 116.57 115.34 2kgh h LYS 11 Ca -0.00 -0.43 -0.19 0.00 -0.85 0.00 0.00 60.65 59.18 2kgh h LYS 11 Cb 0.00 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2kgh h LYS 11 CO 0.00 1.21 -0.91 0.87 -3.45 0.00 0.00 179.45 177.16 2kgh h LYS 12 N -0.25 0.24 0.00 1.90 1.57 -1.89 -3.46 116.57 114.68 2kgh h LYS 12 Ca -0.32 -0.41 -0.16 0.00 -1.87 0.00 0.00 60.65 57.88 2kgh h LYS 12 Cb 1.81 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 2kgh h LYS 12 CO 0.06 1.20 -0.07 0.39 -0.57 0.00 0.00 179.45 180.46 2kgh n GLU 13 N -4.14 1.18 0.00 3.15 -0.58 0.99 -4.71 120.64 116.53 2kgh n GLU 13 Ca -0.17 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.58 2kgh n GLU 13 Cb 0.80 0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.74 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 3.04 -0.38 0.00 0.62 0.00 -1.25 -4.30 105.19 102.93 2kgh n GLY 14 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.59 1.61 2.85 -0.33 -4.93 118.16 115.77 2kgh n LYS 15 Ca 0.00 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.78 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 -0.35 -0.05 0.00 0.00 177.40 177.00 2kgh n PRO 16 N -0.33 1.78 -3.23 -1.58 -0.04 -1.26 -0.45 135.00 129.90 2kgh n PRO 16 Ca 0.00 0.58 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 2kgh n PRO 16 Cb 0.00 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 2kgh n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgh s LYS 18 N -2.74 3.18 -0.67 0.00 0.00 -1.26 -1.44 119.74 116.82 2kgh s LYS 18 Ca 0.22 -0.71 -0.26 0.00 0.00 0.00 0.00 55.97 55.22 2kgh s LYS 18 Cb 0.01 -4.12 -0.13 0.00 0.00 0.00 0.00 37.83 33.59 2kgh s LYS 18 CO 0.16 -1.45 2.45 -2.30 0.00 0.00 0.00 175.35 174.20 2kgh n PRO 19 N 6.91 0.69 -3.41 1.78 -0.02 -1.26 -4.72 135.00 134.96 2kgh n PRO 19 Ca -0.04 -0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 60.84 2kgh n PRO 19 Cb 0.46 -3.02 -0.09 0.00 -0.02 0.00 0.00 33.50 30.82 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 3.45 0.00 -0.52 2.47 -1.26 -3.91 119.74 128.43 2kgh s LYS 20 Ca 1.06 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 2kgh s LYS 20 Cb -0.39 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.14 2kgh s LYS 20 CO 0.28 -0.57 0.00 0.41 0.16 0.00 0.00 175.35 175.63 2kgh n GLY 21 N 5.01 1.03 3.78 5.54 0.00 -1.26 -4.95 105.19 114.33 2kgh n GLY 21 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 4.25 -0.21 1.61 0.41 -1.25 -4.97 118.70 117.91 2kgh s GLU 22 Ca 0.00 0.66 0.07 0.00 -0.41 0.00 0.00 54.97 55.30 2kgh s GLU 22 Cb 0.00 -3.32 -0.21 0.00 -1.78 0.00 0.00 34.13 28.82 2kgh s GLU 22 CO 0.00 0.44 -0.01 1.17 -0.49 0.00 0.00 175.26 176.37 2kgh n LYS 23 N 2.52 0.67 -0.11 1.61 4.81 -1.26 -4.63 118.16 121.77 2kgh n LYS 23 Ca -0.08 0.11 -0.22 0.00 -0.87 0.00 0.00 58.31 57.25 2kgh n LYS 23 Cb 0.51 -1.56 -0.10 0.00 0.02 0.00 0.00 35.03 33.90 2kgh n LYS 23 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kgh n LYS 24 N -3.09 0.56 -1.79 1.64 5.02 -1.26 -4.79 118.16 114.45 2kgh n LYS 24 Ca -0.38 0.49 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 2kgh n LYS 24 Cb 1.06 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 34.37 2kgh n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kgh s THR 26 N 6.50 0.00 0.00 0.00 -1.32 -1.26 -4.65 115.64 114.91 2kgh s THR 26 Ca 0.88 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.36 2kgh s THR 26 Cb -0.32 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 2kgh s THR 26 CO 0.35 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 2kgh n GLY 27 N 1.94 1.65 1.60 6.08 0.00 -1.26 -4.87 105.19 110.33 2kgh n GLY 27 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2kgh n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgh n GLY 28 N -0.60 -3.14 3.01 -0.02 0.00 -1.26 -4.71 105.19 98.46 2kgh n GLY 28 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.06 1.03 -0.35 1.61 0.52 -0.52 -1.28 118.94 119.89 2kgh s TRP 29 Ca -0.03 -0.27 -0.29 0.00 0.02 0.00 0.00 56.10 55.54 2kgh s TRP 29 Cb 0.00 -0.73 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 2kgh s TRP 29 CO 0.07 -0.11 1.30 1.03 0.02 0.00 0.00 176.95 179.26 2kgh s ARG 30 N 0.21 3.80 -0.30 4.98 0.52 0.15 -0.08 118.95 128.23 2kgh s ARG 30 Ca -0.04 1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 55.95 2kgh s ARG 30 Cb -0.09 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.46 2kgh s ARG 30 CO 0.01 -1.26 1.44 0.00 0.02 0.00 0.00 175.30 175.50 2kgh s LYS 32 N 4.56 1.16 0.54 0.00 2.20 -0.37 -1.18 119.74 126.65 2kgh s LYS 32 Ca 0.63 -1.53 0.34 0.00 -0.36 0.00 0.00 55.97 55.05 2kgh s LYS 32 Cb -0.19 -0.64 1.52 0.00 -1.51 0.00 0.00 37.83 37.01 2kgh s LYS 32 CO 0.27 0.03 1.85 0.82 -0.36 0.00 0.00 175.35 177.96 2kgh h ILE 33 N 2.68 0.48 0.34 5.43 2.04 -1.93 -0.95 117.51 125.60 2kgh h ILE 33 Ca -0.37 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2kgh h ILE 33 Cb 1.20 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2kgh h ILE 33 CO 0.64 0.00 -0.16 0.11 0.00 0.00 0.00 178.15 178.73 2kgh h LYS 34 N 0.00 -0.44 0.00 2.37 6.56 -1.95 -3.48 116.57 119.62 2kgh h LYS 34 Ca 0.49 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 60.11 2kgh h LYS 34 Cb 1.97 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 33.73 2kgh h LYS 34 CO -0.01 -0.29 0.00 1.28 -2.06 0.00 0.00 179.45 178.37 2kgh n LEU 35 N -4.54 0.00 -4.75 2.94 4.77 -0.36 -5.13 117.00 109.93 2kgh n LEU 35 Ca -0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 2kgh n LEU 35 Cb 0.18 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2kgh n LEU 35 CO 0.14 0.00 0.37 0.00 -1.33 0.00 0.00 177.39 176.57 2kgh s LEU 37 N 0.06 0.73 -0.02 0.00 2.96 0.28 -4.86 118.68 117.84 2kgh s LEU 37 Ca 0.35 -0.43 -0.38 0.00 -0.22 0.00 0.00 54.13 53.45 2kgh s LEU 37 Cb -0.19 -0.44 -0.19 0.00 0.50 0.00 0.00 46.19 45.87 2kgh s LEU 37 CO 0.19 -0.27 1.03 1.17 -1.32 0.00 0.00 176.35 177.16 2kgh n LYS 38 N 5.14 0.00 0.00 1.98 3.00 -1.26 0.32 118.16 127.34 2kgh n LYS 38 Ca -0.07 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.37 2kgh n LYS 38 Cb 0.49 -1.41 0.34 0.00 0.00 0.00 0.00 35.03 34.45 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91