#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 -0.78 -2.33 1.61 2.88 -1.26 -5.14 113.62 108.59 2dk1 n SER 2 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2dk1 n SER 2 Cb 0.00 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 2dk1 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dk1 n SER 3 N -3.33 -9.55 0.00 -3.46 7.64 -1.26 -5.01 113.62 98.66 2dk1 n SER 3 Ca 0.00 1.84 0.00 0.00 1.01 0.00 0.00 58.87 61.72 2dk1 n SER 3 Cb 0.00 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.00 2dk1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 4 N 1.82 0.74 3.84 0.23 0.00 -1.26 -5.04 105.19 105.52 2dk1 n GLY 4 Ca 0.00 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 2dk1 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk1 s SER 5 N -0.27 6.88 -0.30 1.61 1.04 -1.26 -5.00 113.70 116.41 2dk1 s SER 5 Ca 0.00 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.59 2dk1 s SER 5 Cb 0.00 -2.32 0.19 0.00 0.10 0.00 0.00 66.02 63.99 2dk1 s SER 5 CO 0.00 0.09 0.62 -0.44 0.98 0.00 0.00 173.24 174.49 2dk1 s SER 6 N -1.70 -1.41 0.00 7.02 0.01 -1.26 -5.14 113.70 111.23 2dk1 s SER 6 Ca 0.39 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2dk1 s SER 6 Cb -0.15 2.08 0.00 0.00 0.21 0.00 0.00 66.02 68.16 2dk1 s SER 6 CO 0.20 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2dk1 n GLY 7 N 5.42 3.65 2.74 3.44 0.00 -1.26 -4.76 105.19 114.41 2dk1 n GLY 7 Ca 0.01 -0.97 -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 -2.38 0.74 0.14 1.61 1.81 -1.26 -4.94 118.95 114.66 2dk1 s ARG 8 Ca 0.00 -0.98 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 2dk1 s ARG 8 Cb 0.00 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 2dk1 s ARG 8 CO 0.00 -0.93 0.01 -1.58 -0.68 0.00 0.00 175.30 172.12 2dk1 s TRP 9 N 1.65 0.97 -0.09 -0.53 0.52 -1.26 -3.17 118.94 117.02 2dk1 s TRP 9 Ca 0.08 -1.09 -0.04 0.00 0.02 0.00 0.00 56.10 55.07 2dk1 s TRP 9 Cb -0.17 -0.56 0.04 0.00 -1.15 0.00 0.00 33.47 31.63 2dk1 s TRP 9 CO -0.22 -0.33 0.21 0.14 0.02 0.00 0.00 176.95 176.77 2dk1 s VAL 10 N -3.82 -0.05 -0.09 4.03 -7.23 -1.01 -4.95 120.40 107.29 2dk1 s VAL 10 Ca 0.21 0.17 -0.24 0.00 -1.81 0.00 0.00 61.98 60.30 2dk1 s VAL 10 Cb 0.07 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 2dk1 s VAL 10 CO 0.01 0.07 0.75 -0.70 -0.31 0.00 0.00 175.10 174.91 2dk1 s GLU 11 N 1.26 4.41 0.00 4.82 2.12 -1.26 -1.83 118.70 128.22 2dk1 s GLU 11 Ca -0.09 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.18 2dk1 s GLU 11 Cb -0.11 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2dk1 s GLU 11 CO -0.08 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2dk1 n GLY 12 N 3.20 5.09 3.26 -1.50 0.00 -0.39 -4.99 105.19 109.87 2dk1 n GLY 12 Ca 0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 3.25 0.10 0.00 -0.61 -1.09 -1.26 -3.52 121.20 118.07 2dk1 s ILE 13 Ca 0.00 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 2dk1 s ILE 13 Cb 0.00 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.73 2dk1 s ILE 13 CO 0.00 -0.44 0.00 0.35 -1.23 0.00 0.00 174.94 173.62 2dk1 n THR 14 N 0.08 0.00 0.00 2.92 -2.24 -0.74 -4.85 114.28 109.45 2dk1 n THR 14 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2dk1 n THR 14 Cb 0.62 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.55 0.00 -0.23 3.42 2.88 -1.26 -2.99 113.62 113.89 2dk1 n SER 15 Ca 0.00 0.65 -0.12 0.00 -1.33 0.00 0.00 58.87 58.07 2dk1 n SER 15 Cb 0.00 -0.15 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 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 -0.25 0.00 -1.46 5.08 -2.07 -3.45 114.58 112.44 2dk1 h GLU 16 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dk1 h GLU 16 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dk1 h GLU 16 CO 0.00 -0.17 0.00 0.41 -1.00 0.00 0.00 179.01 178.25 2dk1 n GLY 17 N -1.35 0.00 3.83 -3.84 0.00 -1.16 -5.16 105.19 97.51 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 3.50 -0.69 1.61 2.02 -1.26 -4.79 117.35 117.73 2dk1 s TYR 18 Ca 0.00 0.44 -0.27 0.00 -0.37 0.00 0.00 57.07 56.87 2dk1 s TYR 18 Cb 0.00 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2dk1 s TYR 18 CO 0.00 0.64 1.56 -1.01 -1.57 0.00 0.00 175.55 175.18 2dk1 s HIS 19 N -0.87 1.99 0.29 2.71 3.76 -1.26 -1.79 115.29 120.12 2dk1 s HIS 19 Ca 0.14 0.33 0.08 0.00 -0.15 0.00 0.00 55.06 55.45 2dk1 s HIS 19 Cb -0.12 -4.37 -0.04 0.00 1.11 0.00 0.00 32.58 29.16 2dk1 s HIS 19 CO 0.03 -2.17 0.15 1.52 -0.85 0.00 0.00 174.74 173.42 2dk1 s TYR 20 N 7.34 2.87 -0.11 1.40 1.13 -1.23 -4.91 117.35 123.83 2dk1 s TYR 20 Ca 0.51 -0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.94 2dk1 s TYR 20 Cb -0.10 -1.47 -0.01 0.00 -1.10 0.00 0.00 41.96 39.27 2dk1 s TYR 20 CO 0.17 0.44 -0.15 0.71 -2.51 0.00 0.00 175.55 174.21 2dk1 s TYR 21 N -2.28 2.76 0.40 -3.49 2.02 -1.14 -1.26 117.35 114.35 2dk1 s TYR 21 Ca 0.35 -0.63 0.08 0.00 -0.37 0.00 0.00 57.07 56.49 2dk1 s TYR 21 Cb -0.06 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 2dk1 s TYR 21 CO 0.23 -0.19 0.32 -0.47 -1.57 0.00 0.00 175.55 173.87 2dk1 s TYR 22 N 0.21 2.72 -0.10 2.71 5.04 -0.76 -2.52 117.35 124.65 2dk1 s TYR 22 Ca -0.09 -0.47 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 2dk1 s TYR 22 Cb -0.15 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.12 2dk1 s TYR 22 CO 0.05 0.00 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.61 2dk1 s ASP 23 N -4.06 2.30 0.01 4.32 1.01 -0.05 -2.40 116.67 117.81 2dk1 s ASP 23 Ca 0.45 -0.40 0.15 0.00 0.71 0.00 0.00 52.55 53.47 2dk1 s ASP 23 Cb -0.02 -1.03 -0.18 0.00 1.01 0.00 0.00 42.92 42.70 2dk1 s ASP 23 CO 0.26 0.02 0.73 0.00 0.21 0.00 0.00 175.17 176.39 2dk1 n LEU 24 N 4.12 0.84 -0.10 1.23 -0.00 -1.19 -2.51 117.00 119.39 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 0.26 0.43 -0.38 -0.00 0.00 0.00 177.39 177.94 2dk1 n ILE 25 N -2.95 -0.16 0.00 1.47 -0.00 -1.26 -4.18 119.36 112.29 2dk1 n ILE 25 Ca -0.13 1.53 0.00 0.00 -0.00 0.00 0.00 62.75 64.14 2dk1 n ILE 25 Cb 0.94 -1.98 0.00 0.00 -0.00 0.00 0.00 39.64 38.59 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 -3.46 3.82 0.00 4.38 7.64 -1.26 -5.05 113.62 119.68 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 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 4.01 0.23 0.00 -1.04 -5.10 105.19 106.83 2dk1 n GLY 27 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 4.48 -0.10 4.61 0.00 -1.17 -4.88 121.76 124.70 2dk1 s ALA 28 Ca 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 51.96 50.05 2dk1 s ALA 28 Cb 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.51 2dk1 s ALA 28 CO 0.00 -0.53 0.39 -1.54 0.00 0.00 0.00 175.76 174.07 2dk1 s SER 29 N -4.46 -0.35 -0.11 0.00 1.04 -1.26 -0.87 113.70 107.69 2dk1 s SER 29 Ca 0.58 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 2dk1 s SER 29 Cb -0.09 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.74 2dk1 s SER 29 CO 0.36 -0.28 0.76 -1.58 0.98 0.00 0.00 173.24 173.48 2dk1 s GLN 30 N -0.41 0.92 -0.11 4.02 0.74 -1.05 -5.05 119.66 118.73 2dk1 s GLN 30 Ca -0.05 0.34 -0.14 0.00 0.05 0.00 0.00 55.36 55.56 2dk1 s GLN 30 Cb -0.03 0.44 -0.12 0.00 1.10 0.00 0.00 33.01 34.39 2dk1 s GLN 30 CO 0.02 -0.26 0.41 -1.49 -0.55 0.00 0.00 175.29 173.42 2dk1 h TRP 31 N 3.20 -0.03 -2.80 1.67 -0.00 -1.95 -3.02 115.95 113.02 2dk1 h TRP 31 Ca -0.26 -0.00 -0.46 0.00 -0.00 0.00 0.00 58.89 58.17 2dk1 h TRP 31 Cb 1.15 0.01 0.23 0.00 -0.00 0.00 0.00 29.16 30.54 2dk1 h TRP 31 CO 0.36 0.42 -0.65 0.39 -0.00 0.00 0.00 178.44 178.96 2dk1 n GLU 32 N -4.73 -1.66 -3.48 0.49 1.02 -1.26 -4.59 120.64 106.43 2dk1 n GLU 32 Ca -0.05 -0.46 -0.38 0.00 -0.02 0.00 0.00 57.16 56.26 2dk1 n GLU 32 Cb 0.22 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 29.67 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 -3.80 4.12 0.08 3.49 2.20 -1.26 -4.83 119.74 119.74 2dk1 s LYS 33 Ca 0.60 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.93 2dk1 s LYS 33 Cb -0.18 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 2dk1 s LYS 33 CO 0.66 -0.03 1.15 -1.25 -0.36 0.00 0.00 175.35 175.52 2dk1 s PRO 34 N 1.32 4.48 -0.39 4.03 0.04 -1.26 -4.90 135.00 138.32 2dk1 s PRO 34 Ca 0.15 1.72 -0.39 0.00 0.04 0.00 0.00 61.00 62.52 2dk1 s PRO 34 Cb -0.14 -3.34 -0.15 0.00 0.04 0.00 0.00 34.50 30.91 2dk1 s PRO 34 CO 0.07 -0.16 2.07 -0.85 0.04 0.00 0.00 177.00 178.17 2dk1 n GLU 35 N 3.55 0.71 0.00 4.56 0.28 -1.26 -1.28 120.64 127.20 2dk1 n GLU 35 Ca 0.07 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 2dk1 n GLU 35 Cb 0.47 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.28 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 6.31 3.77 0.35 -1.84 0.00 -1.26 -4.78 105.19 107.73 2dk1 n GLY 36 Ca 0.42 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -1.53 -6.28 1.61 3.57 -1.53 -3.46 116.94 109.32 2dk1 h PHE 37 Ca 0.00 0.10 -0.32 0.00 3.53 0.00 0.00 57.97 61.28 2dk1 h PHE 37 Cb 0.00 0.76 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2dk1 h PHE 37 CO 0.00 -0.33 -0.85 1.04 -2.23 0.00 0.00 178.31 175.94 2dk1 n GLN 38 N -4.87 -1.68 -1.81 1.11 6.02 -1.26 -4.95 117.38 109.92 2dk1 n GLN 38 Ca 0.01 1.21 -0.29 0.00 -0.01 0.00 0.00 57.00 57.91 2dk1 n GLN 38 Cb 0.23 -3.26 0.15 0.00 1.02 0.00 0.00 30.24 28.38 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dk1 s GLY 39 N -2.59 1.68 0.21 1.08 0.00 -1.26 -4.96 107.32 101.48 2dk1 s GLY 39 Ca 0.12 -0.91 -0.32 0.00 0.00 0.00 0.00 44.72 43.61 2dk1 s GLY 39 CO 0.85 -0.26 1.46 1.22 0.00 0.00 0.00 173.10 176.37 2dk1 n ASP 40 N -3.68 2.84 -3.64 1.64 8.00 -1.26 -4.97 116.55 115.48 2dk1 n ASP 40 Ca 0.11 1.12 -0.14 0.00 0.71 0.00 0.00 54.79 56.59 2dk1 n ASP 40 Cb 0.60 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.20 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dk1 s LEU 41 N 0.34 -0.43 0.55 0.64 2.96 -1.26 -5.13 118.68 116.35 2dk1 s LEU 41 Ca 0.72 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 2dk1 s LEU 41 Cb -0.66 2.22 0.00 0.00 0.50 0.00 0.00 46.19 48.24 2dk1 s LEU 41 CO 0.46 -0.30 0.00 1.17 -1.32 0.00 0.00 176.35 176.36 2dk1 n LYS 42 N 2.36 -3.09 -3.85 1.98 0.00 -1.26 -4.70 118.16 109.60 2dk1 n LYS 42 Ca -0.15 2.46 -0.30 0.00 0.00 0.00 0.00 58.31 60.32 2dk1 n LYS 42 Cb 0.56 -3.68 -0.11 0.00 0.00 0.00 0.00 35.03 31.80 2dk1 n LYS 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2dk1 s LYS 43 N -4.03 2.56 -0.17 1.64 1.02 -1.26 -4.88 119.74 114.63 2dk1 s LYS 43 Ca 0.00 -3.24 -0.13 0.00 0.02 0.00 0.00 55.97 52.62 2dk1 s LYS 43 Cb 0.00 -3.52 -0.08 0.00 -0.52 0.00 0.00 37.83 33.71 2dk1 s LYS 43 CO 0.00 -1.26 -0.07 2.41 -0.92 0.00 0.00 175.35 175.52 2dk1 n THR 44 N 2.20 1.46 0.00 2.17 -1.04 -1.26 -4.92 114.28 112.88 2dk1 n THR 44 Ca 0.18 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2dk1 n THR 44 Cb 0.35 -2.27 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 2dk1 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2dk1 n SER 45 N -4.55 0.00 -0.16 8.00 7.64 -1.26 -4.86 113.62 118.43 2dk1 n SER 45 Ca -0.16 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.73 2dk1 n SER 45 Cb 0.41 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 2dk1 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 46 N 0.00 -2.76 0.08 0.23 0.00 -1.26 -4.81 105.19 96.67 2dk1 n GLY 46 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.12 0.09 0.00 1.61 0.13 -2.06 -3.47 132.00 128.18 2dk1 h PRO 47 Ca -0.02 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2dk1 h PRO 47 Cb 0.14 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2dk1 h PRO 47 CO 0.01 0.81 0.00 0.45 -0.23 0.00 0.00 178.00 179.04 2dk1 n SER 48 N -4.63 0.00 -3.91 1.44 2.88 -1.26 -4.73 113.62 103.41 2dk1 n SER 48 Ca -0.09 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.27 2dk1 n SER 48 Cb 0.42 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.73 2dk1 n SER 48 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk1 s SER 49 N 0.00 0.73 0.00 -3.46 0.01 -1.26 -5.34 113.70 104.38 2dk1 s SER 49 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2dk1 s SER 49 Cb 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2dk1 s SER 49 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24