#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk h LYS 3 N 0.00 0.00 -0.02 1.61 1.57 -1.95 0.76 116.57 118.55 1ibk h LYS 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ibk h LYS 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ibk h LYS 3 CO 0.00 0.00 -0.27 0.41 -0.57 0.00 0.00 179.45 179.02 1ibk n GLY 4 N -1.42 0.08 3.38 3.86 0.00 -1.26 -4.56 105.19 105.26 1ibk n GLY 4 Ca -0.00 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 1ibk n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibk s ASP 5 N -2.33 6.15 0.00 1.61 2.15 0.26 -4.94 116.67 119.57 1ibk s ASP 5 Ca 0.24 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.84 1ibk s ASP 5 Cb 0.19 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1ibk s ASP 5 CO 0.48 -0.67 0.00 -2.11 -0.17 0.00 0.00 175.17 172.70 1ibk n ARG 6 N 5.21 0.01 -0.50 4.34 1.85 -1.26 -2.27 116.66 124.03 1ibk n ARG 6 Ca -0.13 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.79 1ibk n ARG 6 Cb 0.43 -1.00 0.15 0.00 -1.05 0.00 0.00 32.46 30.99 1ibk n ARG 6 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1ibk n ARG 7 N 0.03 1.17 -4.24 2.89 1.74 -1.26 -4.68 116.66 112.30 1ibk n ARG 7 Ca 0.00 -2.71 -0.14 0.00 -0.77 0.00 0.00 57.85 54.23 1ibk n ARG 7 Cb 0.00 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 1ibk n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ibk s THR 8 N -2.48 0.20 0.00 0.55 -4.23 -0.96 -4.96 115.64 103.76 1ibk s THR 8 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1ibk s THR 8 Cb 0.31 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.60 1ibk s THR 8 CO -0.04 0.00 0.96 -1.14 -0.54 0.00 0.00 174.62 173.86 1ibk n ARG 9 N -0.35 0.00 -0.24 3.99 3.00 -1.25 -0.49 116.66 121.32 1ibk n ARG 9 Ca 0.01 0.59 0.17 0.00 -0.00 0.00 0.00 57.85 58.63 1ibk n ARG 9 Cb 0.66 -1.46 0.48 0.00 0.00 0.00 0.00 32.46 32.14 1ibk n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ibk h ARG 10 N 0.00 0.46 -0.26 -0.14 3.08 -1.91 0.12 114.38 115.72 1ibk h ARG 10 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1ibk h ARG 10 Cb 0.00 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 1ibk h ARG 10 CO 0.00 0.30 -0.23 0.78 -1.07 0.00 0.00 179.97 179.75 1ibk h GLY 11 N 0.47 -0.13 0.55 0.04 0.00 -1.46 0.16 103.07 102.71 1ibk h GLY 11 Ca 0.46 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 48.05 1ibk h GLY 11 CO -0.19 -0.20 -0.27 0.50 0.00 0.00 0.00 176.54 176.39 1ibk h LYS 12 N -0.23 -0.72 -0.80 4.80 6.56 0.18 -3.05 116.57 123.31 1ibk h LYS 12 Ca 0.14 0.05 0.11 0.00 -1.06 0.00 0.00 60.65 59.89 1ibk h LYS 12 Cb 0.45 0.16 -0.12 0.00 -0.57 0.00 0.00 32.23 32.15 1ibk h LYS 12 CO -0.39 -0.48 -0.36 -0.89 -2.06 0.00 0.00 179.45 175.27 1ibk n ILE 13 N -4.65 -0.46 0.01 1.86 5.41 -0.41 -0.97 119.36 120.16 1ibk n ILE 13 Ca -0.09 1.89 -0.09 0.00 1.00 0.00 0.00 62.75 65.46 1ibk n ILE 13 Cb 0.29 -2.45 -0.06 0.00 -0.71 0.00 0.00 39.64 36.72 1ibk n ILE 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1ibk h TRP 14 N 0.00 -0.94 0.00 1.39 7.01 -0.71 1.11 115.95 123.80 1ibk h TRP 14 Ca 0.23 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.26 1ibk h TRP 14 Cb 0.43 0.42 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 1ibk h TRP 14 CO -0.74 -0.33 0.00 0.54 -2.79 0.00 0.00 178.44 175.12 1ibk n ARG 15 N -4.24 0.54 -4.42 2.65 1.74 -0.14 -4.80 116.66 107.99 1ibk n ARG 15 Ca -0.04 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.67 1ibk n ARG 15 Cb 0.23 -1.26 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1ibk n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibk n GLY 16 N 0.33 -0.30 3.40 -0.13 0.00 0.38 -4.95 105.19 103.93 1ibk n GLY 16 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ibk n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ibk n THR 17 N -4.28 0.00 -4.12 2.61 -2.24 -0.86 -4.97 114.28 100.42 1ibk n THR 17 Ca -0.05 -2.27 -0.11 0.00 -2.27 0.00 0.00 64.05 59.35 1ibk n THR 17 Cb 0.55 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 1ibk n THR 17 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ibk s TYR 18 N -2.77 0.76 -1.34 4.78 1.51 -1.26 -4.04 117.35 114.99 1ibk s TYR 18 Ca 0.03 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 1ibk s TYR 18 Cb 0.00 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1ibk s TYR 18 CO 0.02 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 1ibk n GLY 19 N 0.58 -0.59 0.00 0.71 0.00 0.80 -4.90 105.19 101.78 1ibk n GLY 19 Ca -0.17 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.26 1ibk n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibk n LYS 20 N 0.00 0.38 -0.08 1.61 4.81 -1.26 -0.96 118.16 122.66 1ibk n LYS 20 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1ibk n LYS 20 Cb 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 35.03 33.73 1ibk n LYS 20 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ibk n TYR 21 N -0.87 0.00 0.00 5.64 4.02 -1.26 -4.91 117.16 119.79 1ibk n TYR 21 Ca 0.07 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.44 1ibk n TYR 21 Cb 0.03 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 1ibk n TYR 21 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1ibk n ARG 22 N -0.65 0.00 -1.49 -0.72 0.63 -0.13 -3.78 116.66 110.52 1ibk n ARG 22 Ca 0.05 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.83 1ibk n ARG 22 Cb 0.47 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.47 1ibk n ARG 22 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ibk n PRO 23 N 0.00 -0.25 -0.18 -0.14 -0.02 -1.07 -0.14 135.00 133.19 1ibk n PRO 23 Ca 0.00 -1.44 0.03 0.00 -2.02 0.00 0.00 63.50 60.06 1ibk n PRO 23 Cb 0.00 -0.59 0.10 0.00 -0.02 0.00 0.00 33.50 33.00 1ibk n PRO 23 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ibk n ARG 24 N -2.36 1.81 -0.92 -0.52 5.12 -1.26 -4.89 116.66 113.63 1ibk n ARG 24 Ca 0.10 -0.81 0.00 0.00 -1.93 0.00 0.00 57.85 55.21 1ibk n ARG 24 Cb 0.35 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1ibk n ARG 24 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33