#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 6.34 -0.83 1.61 1.04 -1.26 -5.02 113.70 115.58 2dk1 s SER 2 Ca 0.00 0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.36 2dk1 s SER 2 Cb 0.00 -1.91 0.02 0.00 0.10 0.00 0.00 66.02 64.22 2dk1 s SER 2 CO 0.00 0.03 1.52 -0.94 0.98 0.00 0.00 173.24 174.83 2dk1 s SER 3 N -3.33 5.98 1.23 7.02 1.04 -1.26 -4.98 113.70 119.40 2dk1 s SER 3 Ca 0.35 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 2dk1 s SER 3 Cb -0.11 -2.56 0.31 0.00 0.10 0.00 0.00 66.02 63.76 2dk1 s SER 3 CO 0.29 -1.95 1.01 -0.83 0.98 0.00 0.00 173.24 172.74 2dk1 s GLY 4 N 5.44 1.51 -0.30 7.32 0.00 -1.26 -5.00 107.32 115.02 2dk1 s GLY 4 Ca 0.49 -0.30 -0.14 0.00 0.00 0.00 0.00 44.72 44.77 2dk1 s GLY 4 CO 0.06 0.49 1.08 -0.56 0.00 0.00 0.00 173.10 174.17 2dk1 s SER 5 N -2.66 -0.38 0.09 1.64 0.01 -1.26 -4.98 113.70 106.16 2dk1 s SER 5 Ca 0.69 0.19 -0.31 0.00 1.31 0.00 0.00 55.95 57.83 2dk1 s SER 5 Cb -0.23 1.30 -0.07 0.00 0.21 0.00 0.00 66.02 67.23 2dk1 s SER 5 CO 0.63 -0.07 1.29 -0.44 0.41 0.00 0.00 173.24 175.07 2dk1 s SER 6 N 2.96 6.96 -0.22 2.44 0.01 -1.26 -4.63 113.70 119.96 2dk1 s SER 6 Ca 0.03 2.17 -0.32 0.00 1.31 0.00 0.00 55.95 59.14 2dk1 s SER 6 Cb -0.08 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.72 2dk1 s SER 6 CO -0.13 -0.56 1.22 -0.83 0.41 0.00 0.00 173.24 173.36 2dk1 s GLY 7 N 1.08 -0.16 -0.29 3.44 0.00 -1.26 -4.95 107.32 105.17 2dk1 s GLY 7 Ca 0.62 2.08 -0.00 0.00 0.00 0.00 0.00 44.72 47.41 2dk1 s GLY 7 CO 0.30 0.81 0.08 0.50 0.00 0.00 0.00 173.10 174.78 2dk1 s ARG 8 N -1.72 0.84 0.23 2.90 1.81 -1.26 -4.93 118.95 116.81 2dk1 s ARG 8 Ca 0.07 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 2dk1 s ARG 8 Cb -0.01 -2.14 -0.05 0.00 -0.45 0.00 0.00 34.95 32.30 2dk1 s ARG 8 CO -0.05 -0.92 0.11 -1.58 -0.68 0.00 0.00 175.30 172.19 2dk1 s TRP 9 N 1.57 1.38 -0.14 -0.53 0.52 -1.26 -3.18 118.94 117.30 2dk1 s TRP 9 Ca 0.08 -1.27 -0.11 0.00 0.02 0.00 0.00 56.10 54.81 2dk1 s TRP 9 Cb -0.17 -0.75 0.04 0.00 -1.15 0.00 0.00 33.47 31.44 2dk1 s TRP 9 CO -0.21 -0.47 0.36 0.14 0.02 0.00 0.00 176.95 176.79 2dk1 s VAL 10 N -3.93 -0.01 -0.14 4.03 -7.23 -0.94 -4.95 120.40 107.23 2dk1 s VAL 10 Ca 0.38 0.04 -0.22 0.00 -1.81 0.00 0.00 61.98 60.37 2dk1 s VAL 10 Cb 0.07 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2dk1 s VAL 10 CO 0.13 0.02 0.67 -0.70 -0.31 0.00 0.00 175.10 174.91 2dk1 s GLU 11 N 0.59 4.32 0.00 4.82 2.12 -1.26 -1.50 118.70 127.79 2dk1 s GLU 11 Ca -0.03 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.05 2dk1 s GLU 11 Cb -0.05 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.82 2dk1 s GLU 11 CO -0.04 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 2dk1 n GLY 12 N 3.45 5.46 3.25 -1.50 0.00 -0.16 -4.99 105.19 110.70 2dk1 n GLY 12 Ca -0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 2.60 0.09 0.00 -0.61 -1.09 -1.26 -3.43 121.20 117.50 2dk1 s ILE 13 Ca 0.00 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 2dk1 s ILE 13 Cb 0.00 -1.01 0.00 0.00 -1.58 0.00 0.00 42.46 39.87 2dk1 s ILE 13 CO 0.00 -0.40 0.00 0.35 -1.23 0.00 0.00 174.94 173.66 2dk1 n THR 14 N 0.43 0.00 0.00 2.92 -2.24 -0.22 -4.84 114.28 110.33 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 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.78 0.00 -0.35 3.42 7.64 -1.26 -3.08 113.62 118.21 2dk1 n SER 15 Ca 0.00 0.35 -0.11 0.00 1.01 0.00 0.00 58.87 60.12 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 -0.08 -3.01 0.00 0.00 175.04 171.95 2dk1 h GLU 16 N 0.00 -0.09 0.00 1.43 4.57 -2.07 -3.44 114.58 114.98 2dk1 h GLU 16 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2dk1 h GLU 16 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2dk1 h GLU 16 CO 0.00 -0.06 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 2dk1 n GLY 17 N -1.30 0.00 3.80 1.92 0.00 -1.18 -5.15 105.19 103.27 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 3.55 -0.61 1.61 2.02 -1.26 -4.77 117.35 117.89 2dk1 s TYR 18 Ca 0.00 0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 57.03 2dk1 s TYR 18 Cb 0.00 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 2dk1 s TYR 18 CO 0.00 0.49 1.55 -1.01 -1.57 0.00 0.00 175.55 175.01 2dk1 s HIS 19 N -0.33 2.05 0.26 2.71 3.76 -1.26 -1.06 115.29 121.42 2dk1 s HIS 19 Ca 0.16 0.46 0.10 0.00 -0.15 0.00 0.00 55.06 55.62 2dk1 s HIS 19 Cb -0.13 -4.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.18 2dk1 s HIS 19 CO 0.05 -2.16 -0.01 1.52 -0.85 0.00 0.00 174.74 173.28 2dk1 s TYR 20 N 7.04 2.69 -0.17 1.40 1.13 -1.22 -4.92 117.35 123.30 2dk1 s TYR 20 Ca 0.55 -0.22 -0.02 0.00 -1.41 0.00 0.00 57.07 55.97 2dk1 s TYR 20 Cb -0.11 -1.20 -0.01 0.00 -1.10 0.00 0.00 41.96 39.54 2dk1 s TYR 20 CO 0.22 0.62 -0.09 0.71 -2.51 0.00 0.00 175.55 174.49 2dk1 s TYR 21 N -2.28 2.89 0.38 -3.49 2.02 -1.15 -0.99 117.35 114.72 2dk1 s TYR 21 Ca 0.31 -0.78 0.07 0.00 -0.37 0.00 0.00 57.07 56.30 2dk1 s TYR 21 Cb -0.07 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2dk1 s TYR 21 CO 0.19 -0.36 0.50 -0.47 -1.57 0.00 0.00 175.55 173.85 2dk1 s TYR 22 N 0.84 2.94 -0.10 2.71 5.04 -0.56 -2.69 117.35 125.53 2dk1 s TYR 22 Ca -0.03 -0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.30 2dk1 s TYR 22 Cb -0.15 -2.17 0.01 0.00 0.35 0.00 0.00 41.96 40.00 2dk1 s TYR 22 CO 0.01 -0.20 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.34 2dk1 s ASP 23 N -4.25 2.46 -0.01 4.32 1.01 0.75 -2.22 116.67 118.74 2dk1 s ASP 23 Ca 0.50 -0.44 0.14 0.00 0.71 0.00 0.00 52.55 53.46 2dk1 s ASP 23 Cb -0.09 -1.12 -0.20 0.00 1.01 0.00 0.00 42.92 42.52 2dk1 s ASP 23 CO 0.32 0.05 0.70 0.00 0.21 0.00 0.00 175.17 176.44 2dk1 n LEU 24 N 3.97 0.84 -0.10 1.23 -0.00 -1.19 -2.50 117.00 119.25 2dk1 n LEU 24 Ca -0.20 0.39 -0.03 0.00 -0.00 0.00 0.00 56.01 56.18 2dk1 n LEU 24 Cb 0.52 0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 44.06 2dk1 n LEU 24 CO 0.25 0.31 0.42 -0.38 -0.00 0.00 0.00 177.39 177.99 2dk1 n ILE 25 N -2.98 -0.16 0.00 1.47 -0.00 -1.26 -4.16 119.36 112.26 2dk1 n ILE 25 Ca -0.15 1.49 0.00 0.00 -0.00 0.00 0.00 62.75 64.09 2dk1 n ILE 25 Cb 0.99 -1.94 0.00 0.00 -0.00 0.00 0.00 39.64 38.69 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 -3.47 3.78 0.00 4.38 7.64 -1.26 -5.06 113.62 119.64 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 0.34 3.99 0.23 0.00 -1.04 -5.10 105.19 106.83 2dk1 n GLY 27 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 4.43 -0.01 4.61 0.00 -1.18 -4.87 121.76 124.74 2dk1 s ALA 28 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 2dk1 s ALA 28 Cb 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.56 2dk1 s ALA 28 CO 0.00 -0.22 0.33 -1.54 0.00 0.00 0.00 175.76 174.33 2dk1 s SER 29 N -4.29 -0.21 -0.09 0.00 1.04 -1.26 -0.18 113.70 108.71 2dk1 s SER 29 Ca 0.52 0.11 -0.30 0.00 0.48 0.00 0.00 55.95 56.76 2dk1 s SER 29 Cb -0.09 0.32 0.09 0.00 0.10 0.00 0.00 66.02 66.44 2dk1 s SER 29 CO 0.32 -0.46 0.81 -1.58 0.98 0.00 0.00 173.24 173.31 2dk1 s GLN 30 N -1.34 0.87 -0.12 4.02 0.74 -1.10 -5.04 119.66 117.69 2dk1 s GLN 30 Ca -0.13 0.19 -0.21 0.00 0.05 0.00 0.00 55.36 55.25 2dk1 s GLN 30 Cb -0.05 0.41 -0.19 0.00 1.10 0.00 0.00 33.01 34.28 2dk1 s GLN 30 CO 0.04 -0.28 0.59 -1.49 -0.55 0.00 0.00 175.29 173.60 2dk1 h TRP 31 N 2.78 -0.01 -3.11 1.67 -0.00 -1.95 -3.05 115.95 112.28 2dk1 h TRP 31 Ca -0.24 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.89 58.23 2dk1 h TRP 31 Cb 1.15 0.00 0.22 0.00 -0.00 0.00 0.00 29.16 30.54 2dk1 h TRP 31 CO 0.34 0.71 -0.04 -1.21 -0.00 0.00 0.00 178.44 178.24 2dk1 s GLU 32 N -2.13 -1.42 -0.15 0.49 2.02 -1.26 -4.64 118.70 111.61 2dk1 s GLU 32 Ca -0.14 0.77 -0.16 0.00 0.02 0.00 0.00 54.97 55.46 2dk1 s GLU 32 Cb -0.02 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 2dk1 s GLU 32 CO 0.50 -4.04 0.41 0.21 0.02 0.00 0.00 175.26 172.36 2dk1 s LYS 33 N -4.45 4.28 0.36 1.61 2.20 -1.26 -4.80 119.74 117.68 2dk1 s LYS 33 Ca 0.69 0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 56.33 2dk1 s LYS 33 Cb -0.25 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 2dk1 s LYS 33 CO 0.65 0.14 1.06 -1.25 -0.36 0.00 0.00 175.35 175.60 2dk1 s PRO 34 N 0.72 4.32 -0.67 4.03 0.04 -1.26 -4.90 135.00 137.28 2dk1 s PRO 34 Ca 0.22 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 2dk1 s PRO 34 Cb -0.14 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 2dk1 s PRO 34 CO 0.08 -0.02 2.39 -1.83 0.04 0.00 0.00 177.00 177.65 2dk1 s GLU 35 N -2.14 1.85 0.00 4.56 -1.05 -1.26 -2.03 118.70 118.63 2dk1 s GLU 35 Ca 0.53 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 56.21 2dk1 s GLU 35 Cb -0.25 -4.70 0.00 0.00 -0.44 0.00 0.00 34.13 28.74 2dk1 s GLU 35 CO 0.32 -3.91 0.00 0.41 0.95 0.00 0.00 175.26 173.03 2dk1 n GLY 36 N 6.45 2.21 2.76 -3.83 0.00 -1.26 -4.75 105.19 106.78 2dk1 n GLY 36 Ca 0.42 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.67 0.01 1.61 7.35 -0.86 -4.88 117.46 117.02 2dk1 n PHE 37 Ca 0.00 0.17 -0.01 0.00 -0.76 0.00 0.00 57.45 56.86 2dk1 n PHE 37 Cb 0.00 -1.38 -0.00 0.00 0.35 0.00 0.00 39.48 38.45 2dk1 n PHE 37 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2dk1 n GLN 38 N 1.80 0.04 0.00 -4.13 1.13 -1.26 -5.01 117.38 109.95 2dk1 n GLN 38 Ca 0.02 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2dk1 n GLN 38 Cb 0.46 -0.30 0.00 0.00 0.11 0.00 0.00 30.24 30.51 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dk1 n GLY 39 N 3.07 2.26 3.43 1.08 0.00 -1.26 -5.04 105.19 108.73 2dk1 n GLY 39 Ca -0.01 -0.67 -0.50 0.00 0.00 0.00 0.00 46.02 44.84 2dk1 n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dk1 n ASP 40 N 0.00 1.82 -4.61 1.61 2.03 -1.26 -4.78 116.55 111.36 2dk1 n ASP 40 Ca 0.00 0.36 -0.43 0.00 0.52 0.00 0.00 54.79 55.24 2dk1 n ASP 40 Cb 0.00 -1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2dk1 n LEU 41 N 10.03 3.47 -1.36 -2.67 7.94 -1.26 -4.41 117.00 128.73 2dk1 n LEU 41 Ca 0.45 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 2dk1 n LEU 41 Cb 0.20 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.63 2dk1 n LEU 41 CO 0.79 -0.42 -0.37 0.29 -1.11 0.00 0.00 177.39 176.57 2dk1 n LYS 42 N 8.30 -3.87 -3.03 1.96 4.01 -1.26 -4.87 118.16 119.40 2dk1 n LYS 42 Ca 0.27 2.85 -0.40 0.00 -0.51 0.00 0.00 58.31 60.52 2dk1 n LYS 42 Cb 0.42 -3.18 -0.05 0.00 -0.51 0.00 0.00 35.03 31.71 2dk1 n LYS 42 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2dk1 s LYS 43 N -3.57 4.38 0.56 1.97 1.02 -1.26 -4.92 119.74 117.92 2dk1 s LYS 43 Ca 0.00 0.86 0.27 0.00 0.02 0.00 0.00 55.97 57.12 2dk1 s LYS 43 Cb 0.00 -3.49 1.47 0.00 -0.52 0.00 0.00 37.83 35.30 2dk1 s LYS 43 CO 0.00 -0.04 1.99 0.00 -0.92 0.00 0.00 175.35 176.38 2dk1 h THR 44 N 4.89 0.58 0.67 2.17 1.03 -1.94 -1.47 112.91 118.83 2dk1 h THR 44 Ca -0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 65.99 2dk1 h THR 44 Cb 1.18 0.72 0.01 0.00 -1.07 0.00 0.00 68.15 68.98 2dk1 h THR 44 CO 0.77 0.00 -0.32 -1.28 -0.01 0.00 0.00 175.52 174.68 2dk1 h SER 45 N 0.00 -0.76 -1.80 0.00 0.87 -2.02 -3.42 113.55 106.42 2dk1 h SER 45 Ca 0.22 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.53 2dk1 h SER 45 Cb 0.98 0.20 -0.29 0.00 -0.44 0.00 0.00 62.40 62.84 2dk1 h SER 45 CO -0.00 -0.45 -0.58 -0.83 -0.53 0.00 0.00 176.83 174.44 2dk1 s GLY 46 N -2.28 -0.43 -1.06 5.77 0.00 -0.60 -5.04 107.32 103.68 2dk1 s GLY 46 Ca -0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 2dk1 s GLY 46 CO 0.55 2.95 2.52 -1.55 0.00 0.00 0.00 173.10 177.58 2dk1 n PRO 47 N 5.11 2.61 -1.45 2.90 -0.04 -0.91 -4.39 135.00 138.83 2dk1 n PRO 47 Ca 0.02 -1.64 0.17 0.00 -0.04 0.00 0.00 63.50 62.02 2dk1 n PRO 47 Cb 0.48 -2.51 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 2dk1 n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dk1 n SER 48 N 3.77 -7.86 -3.81 3.54 7.64 -1.26 -4.97 113.62 110.67 2dk1 n SER 48 Ca 0.56 1.48 -0.12 0.00 1.01 0.00 0.00 58.87 61.80 2dk1 n SER 48 Cb 0.24 -4.99 -0.09 0.00 -1.01 0.00 0.00 64.21 58.36 2dk1 n SER 48 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk1 s SER 49 N -7.24 -0.10 0.00 6.43 0.15 -1.26 -5.15 113.70 106.52 2dk1 s SER 49 Ca 0.00 -0.02 0.18 0.00 0.70 0.00 0.00 55.95 56.81 2dk1 s SER 49 Cb 0.00 0.27 1.09 0.00 -1.71 0.00 0.00 66.02 65.67 2dk1 s SER 49 CO 0.00 -0.41 1.48 0.61 1.20 0.00 0.00 173.24 176.13