#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk1 s SER 2 N 0.00 1.82 -0.45 1.61 0.15 -1.26 -4.24 113.70 111.33 2dk1 s SER 2 Ca 0.00 1.84 -0.26 0.00 0.70 0.00 0.00 55.95 58.23 2dk1 s SER 2 Cb 0.00 -2.44 0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2dk1 s SER 2 CO 0.00 -3.73 0.63 -0.24 1.20 0.00 0.00 173.24 171.10 2dk1 n SER 3 N -4.63 -6.81 -4.72 5.45 2.88 -1.26 -4.94 113.62 99.60 2dk1 n SER 3 Ca 0.07 0.19 -0.37 0.00 -1.33 0.00 0.00 58.87 57.43 2dk1 n SER 3 Cb 0.53 -3.67 -0.06 0.00 -0.75 0.00 0.00 64.21 60.26 2dk1 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk1 s GLY 4 N -2.11 2.29 -1.14 0.46 0.00 -1.26 -5.01 107.32 100.55 2dk1 s GLY 4 Ca 0.30 -0.31 -0.10 0.00 0.00 0.00 0.00 44.72 44.61 2dk1 s GLY 4 CO 0.82 0.67 1.18 1.44 0.00 0.00 0.00 173.10 177.21 2dk1 n SER 5 N 3.74 5.48 -4.52 1.64 7.64 -1.26 -5.02 113.62 121.32 2dk1 n SER 5 Ca -0.09 -3.03 -0.54 0.00 1.01 0.00 0.00 58.87 56.22 2dk1 n SER 5 Cb 0.52 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 2dk1 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk1 n SER 6 N 3.21 0.40 -4.38 6.43 7.64 -1.26 -4.96 113.62 120.70 2dk1 n SER 6 Ca 0.26 1.14 -0.24 0.00 1.01 0.00 0.00 58.87 61.05 2dk1 n SER 6 Cb 0.40 -1.03 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 2dk1 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk1 s GLY 7 N -0.05 1.56 -0.29 0.23 0.00 -1.26 -5.12 107.32 102.39 2dk1 s GLY 7 Ca 0.82 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 2dk1 s GLY 7 CO 0.54 -1.62 0.08 0.50 0.00 0.00 0.00 173.10 172.61 2dk1 s ARG 8 N -2.76 0.75 0.23 2.90 1.81 -1.26 -4.94 118.95 115.67 2dk1 s ARG 8 Ca 0.19 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.21 2dk1 s ARG 8 Cb -0.07 -2.03 -0.05 0.00 -0.45 0.00 0.00 34.95 32.36 2dk1 s ARG 8 CO 0.08 -0.93 0.12 -1.58 -0.68 0.00 0.00 175.30 172.31 2dk1 s TRP 9 N 1.64 1.35 -0.16 -0.53 0.52 -1.26 -3.13 118.94 117.37 2dk1 s TRP 9 Ca 0.08 -1.29 -0.11 0.00 0.02 0.00 0.00 56.10 54.80 2dk1 s TRP 9 Cb -0.17 -0.73 0.05 0.00 -1.15 0.00 0.00 33.47 31.47 2dk1 s TRP 9 CO -0.22 -0.50 0.40 0.14 0.02 0.00 0.00 176.95 176.79 2dk1 s VAL 10 N -3.95 -0.02 -0.14 4.03 -7.23 -1.01 -4.94 120.40 107.14 2dk1 s VAL 10 Ca 0.38 0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.36 2dk1 s VAL 10 Cb 0.07 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.41 2dk1 s VAL 10 CO 0.13 0.02 0.79 -0.70 -0.31 0.00 0.00 175.10 175.03 2dk1 s GLU 11 N 0.90 4.33 0.00 4.82 2.12 -1.26 -1.55 118.70 128.06 2dk1 s GLU 11 Ca -0.06 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.24 2dk1 s GLU 11 Cb -0.06 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2dk1 s GLU 11 CO -0.07 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 2dk1 n GLY 12 N 3.39 5.28 3.25 -1.50 0.00 -0.40 -4.99 105.19 110.22 2dk1 n GLY 12 Ca 0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 2dk1 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dk1 s ILE 13 N 2.85 0.10 0.00 -0.61 -1.09 -1.26 -3.47 121.20 117.73 2dk1 s ILE 13 Ca 0.00 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 2dk1 s ILE 13 Cb 0.00 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.68 2dk1 s ILE 13 CO 0.00 -0.48 0.00 0.35 -1.23 0.00 0.00 174.94 173.58 2dk1 n THR 14 N -0.00 0.00 0.00 2.92 -2.24 -0.53 -4.85 114.28 109.58 2dk1 n THR 14 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2dk1 n THR 14 Cb 0.62 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2dk1 n THR 14 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dk1 n SER 15 N -1.25 0.00 -0.35 3.42 7.64 -1.26 -2.93 113.62 118.89 2dk1 n SER 15 Ca 0.00 0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 2dk1 n SER 15 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2dk1 n SER 15 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dk1 n GLU 16 N -0.04 -0.36 0.00 1.43 4.07 -1.26 -4.74 120.64 119.74 2dk1 n GLU 16 Ca 0.00 1.29 0.00 0.00 -0.06 0.00 0.00 57.16 58.39 2dk1 n GLU 16 Cb 0.00 -1.90 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk1 n GLY 17 N -1.21 0.00 3.77 8.31 0.00 -1.15 -5.15 105.19 109.76 2dk1 n GLY 17 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2dk1 n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dk1 s TYR 18 N 0.00 3.54 -0.70 1.61 1.51 -1.26 -4.77 117.35 117.28 2dk1 s TYR 18 Ca 0.00 0.72 -0.27 0.00 -1.01 0.00 0.00 57.07 56.51 2dk1 s TYR 18 Cb 0.00 -2.32 0.01 0.00 -0.11 0.00 0.00 41.96 39.55 2dk1 s TYR 18 CO 0.00 0.38 1.49 -1.01 -1.11 0.00 0.00 175.55 175.30 2dk1 s HIS 19 N -0.03 2.06 0.46 2.71 3.76 -1.26 -1.45 115.29 121.55 2dk1 s HIS 19 Ca 0.19 0.23 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 2dk1 s HIS 19 Cb -0.14 -4.44 -0.01 0.00 1.11 0.00 0.00 32.58 29.10 2dk1 s HIS 19 CO 0.07 -2.15 0.32 1.52 -0.85 0.00 0.00 174.74 173.65 2dk1 s TYR 20 N 6.94 2.30 -0.13 1.40 1.13 -1.23 -4.91 117.35 122.85 2dk1 s TYR 20 Ca 0.47 -0.65 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2dk1 s TYR 20 Cb -0.09 -2.01 0.01 0.00 -1.10 0.00 0.00 41.96 38.77 2dk1 s TYR 20 CO 0.16 -0.14 -0.20 0.71 -2.51 0.00 0.00 175.55 173.58 2dk1 s TYR 21 N -2.62 2.44 0.45 -3.49 2.02 -1.11 -1.27 117.35 113.77 2dk1 s TYR 21 Ca 0.40 -1.21 0.06 0.00 -0.37 0.00 0.00 57.07 55.96 2dk1 s TYR 21 Cb -0.01 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2dk1 s TYR 21 CO 0.24 -0.57 0.61 -0.47 -1.57 0.00 0.00 175.55 173.79 2dk1 s TYR 22 N 0.88 2.83 -0.09 2.71 5.04 -0.60 -2.55 117.35 125.57 2dk1 s TYR 22 Ca -0.07 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.27 2dk1 s TYR 22 Cb -0.15 -2.45 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2dk1 s TYR 22 CO -0.02 -0.51 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.05 2dk1 s ASP 23 N -4.36 2.14 0.00 4.32 1.01 -0.13 -2.40 116.67 117.25 2dk1 s ASP 23 Ca 0.55 -0.36 0.15 0.00 0.71 0.00 0.00 52.55 53.60 2dk1 s ASP 23 Cb -0.10 -0.94 -0.19 0.00 1.01 0.00 0.00 42.92 42.70 2dk1 s ASP 23 CO 0.34 -0.00 0.73 0.00 0.21 0.00 0.00 175.17 176.45 2dk1 n LEU 24 N 4.18 0.86 -0.10 1.23 -0.00 -1.18 -2.48 117.00 119.51 2dk1 n LEU 24 Ca -0.19 0.40 -0.03 0.00 -0.00 0.00 0.00 56.01 56.19 2dk1 n LEU 24 Cb 0.51 0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 44.03 2dk1 n LEU 24 CO 0.23 0.27 0.44 -0.38 -0.00 0.00 0.00 177.39 177.95 2dk1 n ILE 25 N -2.97 -0.16 0.00 1.47 -0.00 -1.26 -4.20 119.36 112.24 2dk1 n ILE 25 Ca -0.14 1.56 0.00 0.00 -0.00 0.00 0.00 62.75 64.17 2dk1 n ILE 25 Cb 0.95 -2.02 0.00 0.00 -0.00 0.00 0.00 39.64 38.57 2dk1 n ILE 25 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2dk1 n SER 26 N -3.49 3.74 0.00 4.38 7.64 -1.26 -5.05 113.62 119.57 2dk1 n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dk1 n SER 26 Cb 0.06 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2dk1 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 27 N 3.19 0.46 4.01 0.23 0.00 -1.04 -5.10 105.19 106.94 2dk1 n GLY 27 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 2dk1 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk1 s ALA 28 N 0.00 4.38 -0.08 4.61 0.00 -1.20 -4.87 121.76 124.61 2dk1 s ALA 28 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 51.96 50.07 2dk1 s ALA 28 Cb 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.45 2dk1 s ALA 28 CO 0.00 -0.66 0.34 -1.54 0.00 0.00 0.00 175.76 173.90 2dk1 s SER 29 N -4.50 -0.29 -0.04 0.00 1.04 -1.26 -0.96 113.70 107.69 2dk1 s SER 29 Ca 0.59 0.42 -0.30 0.00 0.48 0.00 0.00 55.95 57.13 2dk1 s SER 29 Cb -0.08 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.64 2dk1 s SER 29 CO 0.37 -0.29 0.68 -1.58 0.98 0.00 0.00 173.24 173.40 2dk1 s GLN 30 N -0.57 1.07 -0.14 4.02 0.74 -1.06 -5.05 119.66 118.68 2dk1 s GLN 30 Ca -0.07 0.21 -0.14 0.00 0.05 0.00 0.00 55.36 55.41 2dk1 s GLN 30 Cb -0.04 0.50 -0.12 0.00 1.10 0.00 0.00 33.01 34.46 2dk1 s GLN 30 CO 0.03 -0.34 0.26 -1.49 -0.55 0.00 0.00 175.29 173.19 2dk1 h TRP 31 N 2.93 0.00 -2.90 1.67 4.06 -1.96 -2.93 115.95 116.82 2dk1 h TRP 31 Ca -0.27 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.20 2dk1 h TRP 31 Cb 1.15 0.00 0.22 0.00 -1.00 0.00 0.00 29.16 29.54 2dk1 h TRP 31 CO 0.37 0.56 -0.65 0.39 -3.56 0.00 0.00 178.44 175.55 2dk1 n GLU 32 N -4.64 -1.41 -3.37 0.49 1.02 -1.26 -4.62 120.64 106.85 2dk1 n GLU 32 Ca -0.09 -0.38 -0.38 0.00 -0.02 0.00 0.00 57.16 56.28 2dk1 n GLU 32 Cb 0.30 -1.88 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 2dk1 n GLU 32 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dk1 s LYS 33 N -3.77 4.20 0.10 3.49 2.20 -1.26 -4.84 119.74 119.86 2dk1 s LYS 33 Ca 0.60 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 56.16 2dk1 s LYS 33 Cb -0.18 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 2dk1 s LYS 33 CO 0.66 -0.01 1.15 -1.25 -0.36 0.00 0.00 175.35 175.53 2dk1 s PRO 34 N 1.22 4.50 -0.56 4.03 0.04 -1.26 -4.90 135.00 138.07 2dk1 s PRO 34 Ca 0.20 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 2dk1 s PRO 34 Cb -0.15 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 30.94 2dk1 s PRO 34 CO 0.08 -0.13 2.40 -1.91 0.04 0.00 0.00 177.00 177.49 2dk1 n GLU 35 N 3.36 0.82 0.00 4.56 2.13 -1.26 -0.86 120.64 129.40 2dk1 n GLU 35 Ca 0.06 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2dk1 n GLU 35 Cb 0.47 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.57 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dk1 n GLY 36 N 6.32 4.61 3.49 8.31 0.00 -1.26 -4.85 105.19 121.81 2dk1 n GLY 36 Ca 0.46 -0.82 -0.49 0.00 0.00 0.00 0.00 46.02 45.17 2dk1 n GLY 36 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dk1 n PHE 37 N 0.00 0.38 -3.38 1.61 7.35 -0.04 -4.95 117.46 118.43 2dk1 n PHE 37 Ca 0.00 0.87 -0.26 0.00 -0.76 0.00 0.00 57.45 57.29 2dk1 n PHE 37 Cb 0.00 -2.10 -0.10 0.00 0.35 0.00 0.00 39.48 37.63 2dk1 n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2dk1 s GLN 38 N -0.90 0.79 -0.92 -4.13 -0.21 -1.26 -5.00 119.66 108.04 2dk1 s GLN 38 Ca 0.68 -1.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.26 2dk1 s GLN 38 Cb -0.90 -1.29 0.33 0.00 1.00 0.00 0.00 33.01 32.15 2dk1 s GLN 38 CO 0.56 -1.33 1.79 0.41 -2.12 0.00 0.00 175.29 174.61 2dk1 n GLY 39 N 3.25 5.92 3.83 3.09 0.00 -1.26 -4.94 105.19 115.08 2dk1 n GLY 39 Ca 0.24 -2.57 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 2dk1 n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dk1 s ASP 40 N -1.52 -0.13 0.57 1.61 1.47 -1.26 -5.15 116.67 112.26 2dk1 s ASP 40 Ca 0.44 -0.76 -0.10 0.00 1.18 0.00 0.00 52.55 53.31 2dk1 s ASP 40 Cb 0.28 0.70 -0.04 0.00 -0.34 0.00 0.00 42.92 43.52 2dk1 s ASP 40 CO -0.22 -1.35 0.95 -0.22 0.68 0.00 0.00 175.17 175.02 2dk1 s LEU 41 N -3.03 3.39 0.01 2.11 2.96 -1.26 -4.99 118.68 117.88 2dk1 s LEU 41 Ca 0.14 1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2dk1 s LEU 41 Cb -0.05 -4.30 -0.01 0.00 0.50 0.00 0.00 46.19 42.33 2dk1 s LEU 41 CO 0.07 -0.75 1.05 0.50 -1.32 0.00 0.00 176.35 175.90 2dk1 h LYS 42 N -0.01 -0.02 -6.19 1.98 3.11 -2.02 -3.42 116.57 110.00 2dk1 h LYS 42 Ca -0.45 0.00 -0.50 0.00 -2.81 0.00 0.00 60.65 56.89 2dk1 h LYS 42 Cb 1.19 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.38 2dk1 h LYS 42 CO 0.62 -0.01 -0.46 0.21 -2.81 0.00 0.00 179.45 176.99 2dk1 s LYS 43 N -3.23 2.72 -0.02 1.90 2.20 -1.26 -5.03 119.74 117.01 2dk1 s LYS 43 Ca -0.01 -1.29 0.16 0.00 -0.36 0.00 0.00 55.97 54.47 2dk1 s LYS 43 Cb 0.01 -2.46 -0.24 0.00 -1.51 0.00 0.00 37.83 33.63 2dk1 s LYS 43 CO 0.06 0.13 0.37 -2.37 -0.36 0.00 0.00 175.35 173.18 2dk1 n THR 44 N -1.33 0.00 -3.49 3.43 5.66 -1.26 -4.76 114.28 112.52 2dk1 n THR 44 Ca -0.03 -0.34 -0.42 0.00 -3.05 0.00 0.00 64.05 60.22 2dk1 n THR 44 Cb 0.60 0.22 -0.05 0.00 -1.55 0.00 0.00 70.33 69.55 2dk1 n THR 44 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2dk1 s SER 45 N -3.68 6.31 0.13 1.09 0.01 -1.26 -4.99 113.70 111.31 2dk1 s SER 45 Ca -0.05 -3.10 -0.14 0.00 1.31 0.00 0.00 55.95 53.97 2dk1 s SER 45 Cb 0.10 -2.06 0.05 0.00 0.21 0.00 0.00 66.02 64.32 2dk1 s SER 45 CO 0.65 -0.39 0.69 0.61 0.41 0.00 0.00 173.24 175.20 2dk1 n GLY 46 N 3.29 0.86 3.76 3.44 0.00 -1.26 -5.15 105.19 110.13 2dk1 n GLY 46 Ca 0.16 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2dk1 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk1 s PRO 47 N -2.04 4.52 -0.71 1.61 0.04 -1.26 -5.00 135.00 132.16 2dk1 s PRO 47 Ca 0.15 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 2dk1 s PRO 47 Cb -0.02 -3.01 0.18 0.00 0.04 0.00 0.00 34.50 31.69 2dk1 s PRO 47 CO 0.04 0.13 0.66 0.45 0.04 0.00 0.00 177.00 178.33 2dk1 s SER 48 N -1.10 6.52 0.07 6.66 0.15 -1.26 -4.82 113.70 119.92 2dk1 s SER 48 Ca 0.48 -2.30 0.00 0.00 0.70 0.00 0.00 55.95 54.83 2dk1 s SER 48 Cb -0.29 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2dk1 s SER 48 CO 0.36 -0.70 0.00 -1.54 1.20 0.00 0.00 173.24 172.56 2dk1 n SER 49 N 4.56 -9.10 0.00 5.45 3.41 -1.26 -5.34 113.62 111.34 2dk1 n SER 49 Ca 0.02 1.74 0.00 0.00 -0.26 0.00 0.00 58.87 60.37 2dk1 n SER 49 Cb 0.44 -5.08 0.00 0.00 -0.26 0.00 0.00 64.21 59.31 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49