#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk1 n SER 2 N 0.00 -7.96 0.00 1.61 7.64 -1.26 -3.52 113.62 110.13 2dk1 n SER 2 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2dk1 n SER 2 Cb 0.00 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.00 2dk1 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk1 n SER 3 N 0.47 0.00 0.00 6.43 2.88 -1.26 -4.85 113.62 117.29 2dk1 n SER 3 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2dk1 n SER 3 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2dk1 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk1 n GLY 4 N 0.00 0.74 0.58 0.46 0.00 -1.23 -4.67 105.19 101.07 2dk1 n GLY 4 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 2dk1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk1 n SER 5 N 0.00 0.79 -1.33 1.61 7.64 -1.26 -4.98 113.62 116.09 2dk1 n SER 5 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2dk1 n SER 5 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 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 -3.26 -7.16 0.00 6.43 7.64 -1.26 -5.05 113.62 110.96 2dk1 n SER 6 Ca -0.03 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.40 2dk1 n SER 6 Cb 0.13 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 2dk1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 7 N -2.36 3.82 2.74 0.23 0.00 -1.26 -4.96 105.19 103.41 2dk1 n GLY 7 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 2dk1 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dk1 s ARG 8 N -2.57 0.75 0.14 1.61 1.81 -1.26 -5.05 118.95 114.38 2dk1 s ARG 8 Ca 0.00 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 2dk1 s ARG 8 Cb 0.00 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.42 2dk1 s ARG 8 CO 0.00 -0.93 0.02 -1.58 -0.68 0.00 0.00 175.30 172.13 2dk1 s TRP 9 N 1.63 1.01 -0.00 -0.53 0.52 -1.26 -3.02 118.94 117.29 2dk1 s TRP 9 Ca 0.08 -1.10 -0.00 0.00 0.02 0.00 0.00 56.10 55.10 2dk1 s TRP 9 Cb -0.17 -0.58 0.01 0.00 -1.15 0.00 0.00 33.47 31.57 2dk1 s TRP 9 CO -0.22 -0.34 0.01 0.14 0.02 0.00 0.00 176.95 176.56 2dk1 s VAL 10 N -3.82 -0.01 -0.08 4.03 -7.23 -0.66 -4.95 120.40 107.68 2dk1 s VAL 10 Ca 0.22 0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.29 2dk1 s VAL 10 Cb 0.07 -0.03 -0.05 0.00 0.56 0.00 0.00 36.38 36.93 2dk1 s VAL 10 CO 0.02 0.01 0.35 -0.70 -0.31 0.00 0.00 175.10 174.47 2dk1 s GLU 11 N 0.17 4.00 0.00 4.82 2.12 -1.26 -1.66 118.70 126.90 2dk1 s GLU 11 Ca -0.01 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2dk1 s GLU 11 Cb -0.02 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2dk1 s GLU 11 CO -0.00 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 2dk1 n GLY 12 N 2.47 5.04 3.18 -1.50 0.00 -0.30 -5.00 105.19 109.08 2dk1 n GLY 12 Ca -0.13 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 1.13 0.08 0.00 -0.61 -1.09 -1.26 -3.30 121.20 116.16 2dk1 s ILE 13 Ca 0.00 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2dk1 s ILE 13 Cb 0.00 -0.70 0.00 0.00 -1.58 0.00 0.00 42.46 40.18 2dk1 s ILE 13 CO 0.00 -0.39 0.00 0.35 -1.23 0.00 0.00 174.94 173.67 2dk1 n THR 14 N 1.05 0.00 0.00 2.92 -2.24 -0.26 -4.85 114.28 110.91 2dk1 n THR 14 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2dk1 n THR 14 Cb 0.57 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.00 0.00 -0.19 3.42 2.88 -1.26 -3.13 113.62 113.34 2dk1 n SER 15 Ca 0.00 0.59 -0.12 0.00 -1.33 0.00 0.00 58.87 58.01 2dk1 n SER 15 Cb 0.00 -0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 2dk1 n SER 15 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dk1 h GLU 16 N 0.00 -0.28 0.00 -1.46 3.07 -2.07 -3.45 114.58 110.39 2dk1 h GLU 16 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2dk1 h GLU 16 Cb 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2dk1 h GLU 16 CO 0.00 -0.19 0.00 0.41 -1.40 0.00 0.00 179.01 177.83 2dk1 n GLY 17 N -1.37 0.00 3.79 -3.84 0.00 -1.18 -5.15 105.19 97.43 2dk1 n GLY 17 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.51 -0.81 1.61 1.51 -1.26 -4.77 117.35 117.15 2dk1 s TYR 18 Ca 0.00 0.52 -0.25 0.00 -1.01 0.00 0.00 57.07 56.32 2dk1 s TYR 18 Cb 0.00 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2dk1 s TYR 18 CO 0.00 0.45 1.69 -1.01 -1.11 0.00 0.00 175.55 175.58 2dk1 s HIS 19 N -0.19 1.99 0.26 2.71 3.76 -1.26 -1.10 115.29 121.47 2dk1 s HIS 19 Ca 0.14 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 2dk1 s HIS 19 Cb -0.12 -4.30 -0.03 0.00 1.11 0.00 0.00 32.58 29.24 2dk1 s HIS 19 CO 0.03 -2.02 0.36 1.52 -0.85 0.00 0.00 174.74 173.78 2dk1 s TYR 20 N 7.94 3.34 -0.05 1.40 1.13 -1.21 -4.87 117.35 125.03 2dk1 s TYR 20 Ca 0.58 -0.07 0.06 0.00 -1.41 0.00 0.00 57.07 56.22 2dk1 s TYR 20 Cb -0.07 -1.64 -0.01 0.00 -1.10 0.00 0.00 41.96 39.14 2dk1 s TYR 20 CO 0.07 0.36 -0.22 0.71 -2.51 0.00 0.00 175.55 173.96 2dk1 s TYR 21 N -2.04 2.12 0.26 -3.49 2.02 -1.18 -1.15 117.35 113.89 2dk1 s TYR 21 Ca 0.36 -0.60 0.10 0.00 -0.37 0.00 0.00 57.07 56.56 2dk1 s TYR 21 Cb -0.09 -1.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2dk1 s TYR 21 CO 0.29 -0.18 -0.09 -0.47 -1.57 0.00 0.00 175.55 173.52 2dk1 s TYR 22 N -0.12 2.53 -0.17 2.71 6.14 -0.66 -2.62 117.35 125.16 2dk1 s TYR 22 Ca -0.02 -0.26 -0.03 0.00 0.64 0.00 0.00 57.07 57.39 2dk1 s TYR 22 Cb -0.12 -1.13 -0.02 0.00 0.42 0.00 0.00 41.96 41.10 2dk1 s TYR 22 CO 0.03 0.63 -0.05 -0.51 0.64 0.00 0.00 175.55 176.29 2dk1 s ASP 23 N -3.45 4.60 -0.03 4.32 1.01 0.80 -1.66 116.67 122.26 2dk1 s ASP 23 Ca 0.29 -0.21 0.14 0.00 0.71 0.00 0.00 52.55 53.49 2dk1 s ASP 23 Cb -0.06 -1.75 -0.21 0.00 1.01 0.00 0.00 42.92 41.91 2dk1 s ASP 23 CO 0.17 0.13 0.65 0.00 0.21 0.00 0.00 175.17 176.33 2dk1 n LEU 24 N 3.79 0.78 -0.11 1.23 -0.00 -1.17 -2.47 117.00 119.05 2dk1 n LEU 24 Ca -0.18 0.36 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2dk1 n LEU 24 Cb 0.52 0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 44.09 2dk1 n LEU 24 CO 0.32 0.33 0.41 -0.38 -0.00 0.00 0.00 177.39 178.06 2dk1 n ILE 25 N -2.96 -0.18 0.00 1.47 -0.00 -1.26 -4.09 119.36 112.33 2dk1 n ILE 25 Ca -0.16 1.49 0.00 0.00 -0.00 0.00 0.00 62.75 64.07 2dk1 n ILE 25 Cb 1.00 -1.92 0.00 0.00 -0.00 0.00 0.00 39.64 38.72 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 -3.55 4.00 0.00 4.38 7.64 -1.26 -5.05 113.62 119.78 2dk1 n SER 26 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2dk1 n SER 26 Cb 0.07 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 3.25 0.41 3.98 0.23 0.00 -1.03 -5.10 105.19 106.93 2dk1 n GLY 27 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 3.92 -0.07 4.61 0.00 -1.11 -4.85 121.76 124.27 2dk1 s ALA 28 Ca 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 2dk1 s ALA 28 Cb 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.13 2dk1 s ALA 28 CO 0.00 -0.87 0.38 -1.54 0.00 0.00 0.00 175.76 173.73 2dk1 s SER 29 N -4.49 -0.32 -0.21 0.00 1.04 -1.26 -0.14 113.70 108.32 2dk1 s SER 29 Ca 0.59 0.41 -0.27 0.00 0.48 0.00 0.00 55.95 57.16 2dk1 s SER 29 Cb -0.09 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.64 2dk1 s SER 29 CO 0.39 -0.35 0.84 -1.58 0.98 0.00 0.00 173.24 173.53 2dk1 s GLN 30 N -0.74 0.76 -0.05 4.02 0.74 -1.08 -5.02 119.66 118.30 2dk1 s GLN 30 Ca -0.08 0.60 -0.16 0.00 0.05 0.00 0.00 55.36 55.77 2dk1 s GLN 30 Cb -0.04 0.36 -0.10 0.00 1.10 0.00 0.00 33.01 34.33 2dk1 s GLN 30 CO 0.03 -0.15 0.67 -1.49 -0.55 0.00 0.00 175.29 173.80 2dk1 h TRP 31 N 3.99 -0.37 -2.81 1.67 -0.00 -1.95 -3.11 115.95 113.37 2dk1 h TRP 31 Ca -0.27 -0.01 -0.50 0.00 -0.00 0.00 0.00 58.89 58.11 2dk1 h TRP 31 Cb 1.16 0.12 0.23 0.00 -0.00 0.00 0.00 29.16 30.67 2dk1 h TRP 31 CO 0.35 -0.11 -0.94 0.39 -0.00 0.00 0.00 178.44 178.14 2dk1 n GLU 32 N -5.04 -0.75 -3.22 0.49 1.02 -1.26 -4.48 120.64 107.40 2dk1 n GLU 32 Ca -0.07 -0.19 -0.39 0.00 -0.02 0.00 0.00 57.16 56.49 2dk1 n GLU 32 Cb 0.22 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 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 -3.39 4.29 0.41 3.49 2.20 -1.26 -4.74 119.74 120.74 2dk1 s LYS 33 Ca 0.55 0.75 -0.24 0.00 -0.36 0.00 0.00 55.97 56.67 2dk1 s LYS 33 Cb -0.16 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 2dk1 s LYS 33 CO 0.68 0.44 1.05 -1.25 -0.36 0.00 0.00 175.35 175.91 2dk1 s PRO 34 N -0.44 4.11 0.29 4.03 0.04 -1.26 -4.96 135.00 136.81 2dk1 s PRO 34 Ca 0.31 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.56 2dk1 s PRO 34 Cb -0.19 -2.48 -0.14 0.00 0.04 0.00 0.00 34.50 31.73 2dk1 s PRO 34 CO 0.18 -0.19 1.10 -0.85 0.04 0.00 0.00 177.00 177.28 2dk1 n GLU 35 N -0.19 1.53 -4.16 4.56 0.28 -1.26 -1.81 120.64 119.59 2dk1 n GLU 35 Ca 0.06 0.54 -0.34 0.00 -0.16 0.00 0.00 57.16 57.25 2dk1 n GLU 35 Cb 0.50 -1.97 -0.06 0.00 1.43 0.00 0.00 31.44 31.34 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dk1 n GLY 36 N 1.23 -0.32 0.15 -1.84 0.00 -1.26 -4.83 105.19 98.32 2dk1 n GLY 36 Ca 0.09 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 2dk1 n GLY 36 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2dk1 h PHE 37 N -1.83 0.49 -6.46 1.61 3.57 -1.75 -3.45 116.94 109.13 2dk1 h PHE 37 Ca -0.63 -0.15 -0.24 0.00 3.53 0.00 0.00 57.97 60.47 2dk1 h PHE 37 Cb 1.31 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.96 2dk1 h PHE 37 CO 0.44 0.80 -1.13 0.00 -2.23 0.00 0.00 178.31 176.19 2dk1 n GLN 38 N -4.50 -1.37 -3.14 1.11 10.64 -1.26 -4.87 117.38 113.99 2dk1 n GLN 38 Ca -0.06 1.22 0.03 0.00 -1.83 0.00 0.00 57.00 56.37 2dk1 n GLN 38 Cb 0.39 -1.76 -0.00 0.00 -0.86 0.00 0.00 30.24 28.01 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dk1 s GLY 39 N -1.32 -1.24 -0.05 2.61 0.00 -1.26 -5.08 107.32 100.98 2dk1 s GLY 39 Ca 0.24 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.67 2dk1 s GLY 39 CO 0.57 3.77 0.84 0.99 0.00 0.00 0.00 173.10 179.27 2dk1 s ASP 40 N 2.55 -0.46 0.34 1.64 1.01 -1.26 -4.67 116.67 115.81 2dk1 s ASP 40 Ca 0.14 0.32 0.14 0.00 0.71 0.00 0.00 52.55 53.86 2dk1 s ASP 40 Cb -0.07 0.42 1.09 0.00 1.01 0.00 0.00 42.92 45.37 2dk1 s ASP 40 CO -0.20 -0.56 1.63 0.17 0.21 0.00 0.00 175.17 176.42 2dk1 h LEU 41 N 2.44 0.31 -8.86 1.23 -0.00 -2.01 -3.34 115.31 105.09 2dk1 h LEU 41 Ca -0.23 0.22 -0.57 0.00 -0.00 0.00 0.00 57.88 57.29 2dk1 h LEU 41 Cb 1.20 0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 42.04 2dk1 h LEU 41 CO 0.34 -0.24 1.18 -0.75 -0.00 0.00 0.00 178.44 178.96 2dk1 s LYS 42 N -5.69 3.48 0.18 0.17 2.47 -1.26 -4.23 119.74 114.86 2dk1 s LYS 42 Ca -0.10 1.27 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 2dk1 s LYS 42 Cb 0.31 -4.11 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 2dk1 s LYS 42 CO 0.78 -1.68 0.00 1.17 0.16 0.00 0.00 175.35 175.79 2dk1 n LYS 43 N 8.20 0.00 -2.40 4.03 4.81 -1.25 -4.94 118.16 126.61 2dk1 n LYS 43 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 2dk1 n LYS 43 Cb 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.51 2dk1 n LYS 43 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2dk1 n THR 44 N -3.16-10.93 -3.62 3.15 -1.04 -1.26 -5.07 114.28 92.35 2dk1 n THR 44 Ca 0.00 2.52 -0.06 0.00 -2.04 0.00 0.00 64.05 64.47 2dk1 n THR 44 Cb 0.00 -5.40 -0.05 0.00 -1.82 0.00 0.00 70.33 63.06 2dk1 n THR 44 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dk1 s SER 45 N -0.50 -0.19 -0.62 8.00 0.15 -1.26 -5.11 113.70 114.16 2dk1 s SER 45 Ca -0.06 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.85 2dk1 s SER 45 Cb 0.00 0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.67 2dk1 s SER 45 CO 0.17 -0.16 0.41 -0.83 1.20 0.00 0.00 173.24 174.02 2dk1 s GLY 46 N -0.87 2.64 -0.68 9.45 0.00 -1.26 -5.05 107.32 111.55 2dk1 s GLY 46 Ca 0.04 -3.47 -0.27 0.00 0.00 0.00 0.00 44.72 41.03 2dk1 s GLY 46 CO -0.05 1.06 1.57 2.56 0.00 0.00 0.00 173.10 178.25 2dk1 s PRO 47 N -0.63 2.91 0.18 2.90 0.04 -1.26 -4.88 135.00 134.26 2dk1 s PRO 47 Ca 0.20 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.13 2dk1 s PRO 47 Cb -0.18 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.08 2dk1 s PRO 47 CO -0.06 -2.45 1.55 1.03 0.04 0.00 0.00 177.00 177.11 2dk1 h SER 48 N 12.45 -1.92 -5.66 6.66 0.87 -2.08 -3.46 113.55 120.41 2dk1 h SER 48 Ca -0.26 0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2dk1 h SER 48 Cb 1.10 0.88 -0.00 0.00 -0.44 0.00 0.00 62.40 63.94 2dk1 h SER 48 CO 1.25 -0.26 -1.00 -0.24 -0.53 0.00 0.00 176.83 176.05 2dk1 n SER 49 N -5.33 -7.21 0.00 6.23 2.88 -1.26 -5.35 113.62 103.58 2dk1 n SER 49 Ca 0.04 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2dk1 n SER 49 Cb 0.31 -3.75 0.00 0.00 -0.75 0.00 0.00 64.21 60.02 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42