#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 3.65 -0.70 1.61 0.15 -1.26 -5.08 113.70 112.07 2dk1 s SER 2 Ca 0.00 -0.74 -0.19 0.00 0.70 0.00 0.00 55.95 55.72 2dk1 s SER 2 Cb 0.00 -0.39 0.11 0.00 -1.71 0.00 0.00 66.02 64.03 2dk1 s SER 2 CO 0.00 0.14 0.86 -0.55 1.20 0.00 0.00 173.24 174.89 2dk1 s SER 3 N -2.49 6.32 0.01 5.45 0.15 -1.26 -4.91 113.70 116.96 2dk1 s SER 3 Ca 0.20 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2dk1 s SER 3 Cb -0.09 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2dk1 s SER 3 CO 0.10 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.01 2dk1 n GLY 4 N 5.23 -1.54 2.91 9.45 0.00 -1.26 -4.93 105.19 115.05 2dk1 n GLY 4 Ca 0.01 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 2dk1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk1 s SER 5 N -3.25 0.28 -0.11 1.61 0.15 -1.26 -4.97 113.70 106.15 2dk1 s SER 5 Ca 0.00 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.45 2dk1 s SER 5 Cb 0.00 1.03 -0.11 0.00 -1.71 0.00 0.00 66.02 65.23 2dk1 s SER 5 CO 0.00 -0.24 -0.01 -1.54 1.20 0.00 0.00 173.24 172.65 2dk1 n SER 6 N 4.36 2.70 -4.85 5.45 3.41 -1.26 -5.01 113.62 118.42 2dk1 n SER 6 Ca 0.10 -0.02 -0.32 0.00 -0.26 0.00 0.00 58.87 58.38 2dk1 n SER 6 Cb 0.49 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.87 2dk1 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dk1 s GLY 7 N -4.52 2.01 -0.29 5.00 0.00 -1.26 -5.06 107.32 103.19 2dk1 s GLY 7 Ca -0.09 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.71 2dk1 s GLY 7 CO 0.37 0.34 0.09 0.50 0.00 0.00 0.00 173.10 174.40 2dk1 s ARG 8 N -4.13 0.73 0.18 2.90 1.81 -1.26 -4.96 118.95 114.22 2dk1 s ARG 8 Ca 0.57 -0.98 0.00 0.00 -1.72 0.00 0.00 55.73 53.60 2dk1 s ARG 8 Cb -0.10 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2dk1 s ARG 8 CO 0.33 -0.93 0.06 -1.58 -0.68 0.00 0.00 175.30 172.50 2dk1 s TRP 9 N 1.65 1.15 -0.12 -0.53 0.52 -1.26 -3.19 118.94 117.15 2dk1 s TRP 9 Ca 0.08 -1.19 -0.09 0.00 0.02 0.00 0.00 56.10 54.92 2dk1 s TRP 9 Cb -0.17 -0.64 0.04 0.00 -1.15 0.00 0.00 33.47 31.55 2dk1 s TRP 9 CO -0.23 -0.42 0.31 0.14 0.02 0.00 0.00 176.95 176.77 2dk1 s VAL 10 N -3.90 -0.02 -0.06 4.03 -7.23 -1.03 -4.95 120.40 107.24 2dk1 s VAL 10 Ca 0.30 0.06 -0.24 0.00 -1.81 0.00 0.00 61.98 60.29 2dk1 s VAL 10 Cb 0.07 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2dk1 s VAL 10 CO 0.07 0.03 0.73 -0.70 -0.31 0.00 0.00 175.10 174.91 2dk1 s GLU 11 N 0.75 4.44 0.00 4.82 2.12 -1.26 -1.67 118.70 127.90 2dk1 s GLU 11 Ca -0.05 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.22 2dk1 s GLU 11 Cb -0.06 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.88 2dk1 s GLU 11 CO -0.05 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2dk1 n GLY 12 N 3.10 5.31 3.26 -1.50 0.00 -0.40 -4.99 105.19 109.96 2dk1 n GLY 12 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 3.17 0.08 0.00 -0.61 -1.09 -1.26 -3.52 121.20 117.97 2dk1 s ILE 13 Ca 0.00 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2dk1 s ILE 13 Cb 0.00 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 2dk1 s ILE 13 CO 0.00 -0.37 0.00 0.35 -1.23 0.00 0.00 174.94 173.69 2dk1 n THR 14 N 0.53 0.00 0.00 2.92 -2.24 -0.05 -4.83 114.28 110.61 2dk1 n THR 14 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dk1 n THR 14 Cb 0.60 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2dk1 n THR 14 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk1 n SER 15 N -2.15 0.00 -0.00 3.42 2.88 -1.26 -3.24 113.62 113.26 2dk1 n SER 15 Ca 0.00 0.94 -0.13 0.00 -1.33 0.00 0.00 58.87 58.35 2dk1 n SER 15 Cb 0.00 -0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 62.95 2dk1 n SER 15 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2dk1 h GLU 16 N 0.00 -0.49 0.00 -1.46 4.81 -2.07 -3.45 114.58 111.92 2dk1 h GLU 16 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2dk1 h GLU 16 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2dk1 h GLU 16 CO 0.00 -0.33 0.00 0.41 -0.73 0.00 0.00 179.01 178.36 2dk1 n GLY 17 N -1.44 0.00 3.75 1.92 0.00 -1.20 -5.16 105.19 103.07 2dk1 n GLY 17 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 3.39 -0.60 1.61 2.02 -1.26 -4.78 117.35 117.73 2dk1 s TYR 18 Ca 0.00 0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.74 2dk1 s TYR 18 Cb 0.00 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2dk1 s TYR 18 CO 0.00 0.46 1.64 -1.01 -1.57 0.00 0.00 175.55 175.08 2dk1 s HIS 19 N -0.43 1.93 0.42 2.71 3.76 -1.26 -0.87 115.29 121.55 2dk1 s HIS 19 Ca 0.10 0.54 0.07 0.00 -0.15 0.00 0.00 55.06 55.63 2dk1 s HIS 19 Cb -0.12 -4.27 -0.04 0.00 1.11 0.00 0.00 32.58 29.27 2dk1 s HIS 19 CO 0.02 -2.24 0.25 1.52 -0.85 0.00 0.00 174.74 173.44 2dk1 s TYR 20 N 7.59 2.59 -0.11 1.40 1.13 -1.23 -4.91 117.35 123.80 2dk1 s TYR 20 Ca 0.58 -0.57 0.04 0.00 -1.41 0.00 0.00 57.07 55.71 2dk1 s TYR 20 Cb -0.12 -2.02 0.00 0.00 -1.10 0.00 0.00 41.96 38.72 2dk1 s TYR 20 CO 0.21 0.06 -0.23 0.71 -2.51 0.00 0.00 175.55 173.80 2dk1 s TYR 21 N -2.57 2.50 0.40 -3.49 2.02 -1.13 -1.28 117.35 113.81 2dk1 s TYR 21 Ca 0.43 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 56.13 2dk1 s TYR 21 Cb 0.01 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2dk1 s TYR 21 CO 0.24 -0.45 0.44 -0.47 -1.57 0.00 0.00 175.55 173.74 2dk1 s TYR 22 N 0.46 2.79 -0.10 2.71 5.04 -0.67 -2.47 117.35 125.11 2dk1 s TYR 22 Ca -0.16 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.06 2dk1 s TYR 22 Cb -0.17 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 39.96 2dk1 s TYR 22 CO 0.06 -0.18 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.44 2dk1 s ASP 23 N -4.19 2.24 0.00 4.32 1.01 0.01 -2.47 116.67 117.58 2dk1 s ASP 23 Ca 0.49 -0.38 0.15 0.00 0.71 0.00 0.00 52.55 53.52 2dk1 s ASP 23 Cb -0.06 -0.99 -0.19 0.00 1.01 0.00 0.00 42.92 42.69 2dk1 s ASP 23 CO 0.30 0.01 0.72 0.00 0.21 0.00 0.00 175.17 176.41 2dk1 n LEU 24 N 4.15 0.84 -0.10 1.23 -0.00 -1.19 -2.51 117.00 119.41 2dk1 n LEU 24 Ca -0.19 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2dk1 n LEU 24 Cb 0.51 0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 44.04 2dk1 n LEU 24 CO 0.24 0.27 0.43 -0.38 -0.00 0.00 0.00 177.39 177.95 2dk1 n ILE 25 N -2.96 -0.16 0.00 1.47 -0.00 -1.26 -4.18 119.36 112.27 2dk1 n ILE 25 Ca -0.14 1.53 0.00 0.00 -0.00 0.00 0.00 62.75 64.14 2dk1 n ILE 25 Cb 0.95 -1.98 0.00 0.00 -0.00 0.00 0.00 39.64 38.61 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 -3.48 3.77 0.00 4.38 7.64 -1.26 -5.06 113.62 119.61 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 3.21 0.33 4.01 0.23 0.00 -1.04 -5.10 105.19 106.82 2dk1 n GLY 27 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 4.56 -0.09 4.61 0.00 -1.18 -4.88 121.76 124.77 2dk1 s ALA 28 Ca 0.00 -1.83 -0.14 0.00 0.00 0.00 0.00 51.96 49.99 2dk1 s ALA 28 Cb 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.64 2dk1 s ALA 28 CO 0.00 -0.47 0.35 -1.54 0.00 0.00 0.00 175.76 174.10 2dk1 s SER 29 N -4.44 -0.32 -0.06 0.00 1.04 -1.26 -0.81 113.70 107.85 2dk1 s SER 29 Ca 0.56 0.51 -0.31 0.00 0.48 0.00 0.00 55.95 57.20 2dk1 s SER 29 Cb -0.08 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.70 2dk1 s SER 29 CO 0.34 -0.25 0.67 -1.58 0.98 0.00 0.00 173.24 173.41 2dk1 s GLN 30 N -0.36 1.05 -0.12 4.02 0.74 -1.03 -5.05 119.66 118.91 2dk1 s GLN 30 Ca -0.05 0.28 -0.07 0.00 0.05 0.00 0.00 55.36 55.57 2dk1 s GLN 30 Cb -0.03 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.52 2dk1 s GLN 30 CO 0.02 -0.32 0.10 -1.49 -0.55 0.00 0.00 175.29 173.05 2dk1 h TRP 31 N 3.08 0.00 -2.85 1.67 4.06 -1.96 -2.98 115.95 116.98 2dk1 h TRP 31 Ca -0.27 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.18 2dk1 h TRP 31 Cb 1.14 0.00 0.23 0.00 -1.00 0.00 0.00 29.16 29.53 2dk1 h TRP 31 CO 0.38 0.21 -0.90 0.39 -3.56 0.00 0.00 178.44 174.96 2dk1 n GLU 32 N -4.72 -0.77 -3.29 0.49 1.02 -1.26 -4.61 120.64 107.51 2dk1 n GLU 32 Ca -0.04 -0.20 -0.39 0.00 -0.02 0.00 0.00 57.16 56.52 2dk1 n GLU 32 Cb 0.14 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 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 -3.43 4.18 0.15 3.49 2.20 -1.26 -4.86 119.74 120.20 2dk1 s LYS 33 Ca 0.55 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 56.20 2dk1 s LYS 33 Cb -0.16 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.52 2dk1 s LYS 33 CO 0.68 -0.13 1.13 -1.25 -0.36 0.00 0.00 175.35 175.41 2dk1 s PRO 34 N 1.59 4.54 -0.57 4.03 0.04 -1.26 -4.90 135.00 138.47 2dk1 s PRO 34 Ca 0.22 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2dk1 s PRO 34 Cb -0.15 -3.30 -0.12 0.00 0.04 0.00 0.00 34.50 30.98 2dk1 s PRO 34 CO 0.09 -0.03 2.43 -1.91 0.04 0.00 0.00 177.00 177.62 2dk1 n GLU 35 N 2.80 0.84 0.00 4.56 4.07 -1.26 -0.95 120.64 130.70 2dk1 n GLU 35 Ca 0.04 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2dk1 n GLU 35 Cb 0.46 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.12 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk1 n GLY 36 N 6.24 4.23 3.21 8.31 0.00 -1.26 -4.87 105.19 121.04 2dk1 n GLY 36 Ca 0.45 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.68 -3.08 1.61 7.35 -0.12 -4.91 117.46 116.63 2dk1 n PHE 37 Ca 0.00 0.27 0.03 0.00 -0.76 0.00 0.00 57.45 56.99 2dk1 n PHE 37 Cb 0.00 -1.54 -0.00 0.00 0.35 0.00 0.00 39.48 38.29 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 -3.02 0.48 -0.28 -4.13 -0.21 -1.26 -4.98 119.66 106.27 2dk1 s GLN 38 Ca 0.50 0.06 -0.09 0.00 0.02 0.00 0.00 55.36 55.84 2dk1 s GLN 38 Cb -0.08 0.11 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 2dk1 s GLN 38 CO 0.68 -0.77 0.14 0.20 -2.12 0.00 0.00 175.29 173.41 2dk1 s GLY 39 N 2.31 1.85 0.11 3.09 0.00 -1.26 -5.07 107.32 108.36 2dk1 s GLY 39 Ca 0.16 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 2dk1 s GLY 39 CO -0.16 0.62 0.06 0.99 0.00 0.00 0.00 173.10 174.61 2dk1 s ASP 40 N 1.67 0.32 0.00 1.64 1.01 -1.26 -5.16 116.67 114.89 2dk1 s ASP 40 Ca 0.06 -1.11 0.07 0.00 0.71 0.00 0.00 52.55 52.28 2dk1 s ASP 40 Cb -0.16 0.29 -0.03 0.00 1.01 0.00 0.00 42.92 44.03 2dk1 s ASP 40 CO 0.07 -0.71 -0.20 -0.22 0.21 0.00 0.00 175.17 174.32 2dk1 s LEU 41 N -3.00 2.48 -0.12 1.23 2.96 -1.26 -4.87 118.68 116.10 2dk1 s LEU 41 Ca 0.19 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2dk1 s LEU 41 Cb 0.07 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.30 2dk1 s LEU 41 CO -0.02 0.29 0.05 1.17 -1.32 0.00 0.00 176.35 176.53 2dk1 n LYS 42 N 1.96 -1.11 -3.64 1.98 0.00 -1.26 -5.10 118.16 111.00 2dk1 n LYS 42 Ca -0.16 1.23 -0.05 0.00 0.00 0.00 0.00 58.31 59.33 2dk1 n LYS 42 Cb 0.52 -2.62 -0.06 0.00 0.00 0.00 0.00 35.03 32.87 2dk1 n LYS 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2dk1 s LYS 43 N -0.82 0.65 -0.44 1.64 2.36 -1.26 -5.12 119.74 116.75 2dk1 s LYS 43 Ca 0.02 1.25 -0.24 0.00 -2.55 0.00 0.00 55.97 54.45 2dk1 s LYS 43 Cb -0.01 0.35 0.02 0.00 -1.05 0.00 0.00 37.83 37.15 2dk1 s LYS 43 CO 0.27 -0.16 0.86 0.95 1.55 0.00 0.00 175.35 178.82 2dk1 s THR 44 N 2.00 4.58 0.68 3.43 -4.23 -1.26 -5.03 115.64 115.80 2dk1 s THR 44 Ca -0.09 0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 61.08 2dk1 s THR 44 Cb -0.07 -4.36 0.08 0.00 1.34 0.00 0.00 72.50 69.50 2dk1 s THR 44 CO -0.19 -0.72 0.95 -0.94 -0.54 0.00 0.00 174.62 173.17 2dk1 s SER 45 N 2.14 4.69 0.00 3.99 1.04 -1.26 -5.09 113.70 119.21 2dk1 s SER 45 Ca 0.34 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2dk1 s SER 45 Cb -0.11 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2dk1 s SER 45 CO 0.23 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.45 2dk1 n GLY 46 N -2.76 0.14 0.07 7.32 0.00 -1.26 -4.93 105.19 103.77 2dk1 n GLY 46 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2dk1 n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk1 h PRO 47 N 0.00 0.04 -5.79 1.61 0.13 -2.06 -3.49 132.00 122.44 2dk1 h PRO 47 Ca 0.00 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 2dk1 h PRO 47 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 2dk1 h PRO 47 CO 0.00 0.78 -0.86 0.45 -0.23 0.00 0.00 178.00 178.14 2dk1 n SER 48 N -4.68 -7.04 -1.34 1.44 2.88 -1.26 -4.73 113.62 98.89 2dk1 n SER 48 Ca -0.09 0.44 0.16 0.00 -1.33 0.00 0.00 58.87 58.04 2dk1 n SER 48 Cb 0.39 -3.78 -0.06 0.00 -0.75 0.00 0.00 64.21 60.01 2dk1 n SER 48 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dk1 n SER 49 N 0.06 -7.56 0.00 -3.46 3.41 -1.26 -5.22 113.62 99.60 2dk1 n SER 49 Ca 0.02 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 2dk1 n SER 49 Cb 0.47 -4.35 0.00 0.00 -0.26 0.00 0.00 64.21 60.07 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49