#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 -0.92 0.47 1.61 0.15 -1.26 -5.15 113.70 108.60 2dk1 s SER 2 Ca 0.00 1.32 -0.22 0.00 0.70 0.00 0.00 55.95 57.75 2dk1 s SER 2 Cb 0.00 1.87 -0.10 0.00 -1.71 0.00 0.00 66.02 66.08 2dk1 s SER 2 CO 0.00 -0.19 0.79 -1.20 1.20 0.00 0.00 173.24 173.83 2dk1 n SER 3 N 4.94 0.18 -0.59 5.45 7.64 -1.26 -4.67 113.62 125.31 2dk1 n SER 3 Ca -0.14 0.92 0.08 0.00 1.01 0.00 0.00 58.87 60.74 2dk1 n SER 3 Cb 0.53 -1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.48 -1.73 0.00 0.23 0.00 -1.26 -5.00 105.19 98.91 2dk1 n GLY 4 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.59 0.00 0.00 1.61 7.64 -1.26 -5.06 113.62 113.96 2dk1 n SER 5 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dk1 n SER 5 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2dk1 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk1 n SER 6 N 0.00 0.08 -4.44 6.43 2.88 -1.26 -5.10 113.62 112.21 2dk1 n SER 6 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2dk1 n SER 6 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2dk1 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk1 s GLY 7 N -4.91 1.68 -0.31 0.46 0.00 -1.26 -5.11 107.32 97.86 2dk1 s GLY 7 Ca 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.20 2dk1 s GLY 7 CO 0.00 -1.54 0.04 0.50 0.00 0.00 0.00 173.10 172.10 2dk1 s ARG 8 N -2.45 1.28 0.17 2.90 1.81 -1.26 -4.98 118.95 116.42 2dk1 s ARG 8 Ca 0.19 -1.45 0.01 0.00 -1.72 0.00 0.00 55.73 52.75 2dk1 s ARG 8 Cb -0.09 -2.70 -0.04 0.00 -0.45 0.00 0.00 34.95 31.66 2dk1 s ARG 8 CO 0.09 -0.88 0.04 -1.58 -0.68 0.00 0.00 175.30 172.29 2dk1 s TRP 9 N 1.22 1.10 -0.08 -0.53 0.52 -1.26 -3.25 118.94 116.66 2dk1 s TRP 9 Ca 0.07 -1.13 -0.05 0.00 0.02 0.00 0.00 56.10 55.00 2dk1 s TRP 9 Cb -0.18 -0.62 0.03 0.00 -1.15 0.00 0.00 33.47 31.55 2dk1 s TRP 9 CO -0.13 -0.36 0.20 0.14 0.02 0.00 0.00 176.95 176.82 2dk1 s VAL 10 N -3.84 -0.03 -0.03 4.03 -7.23 -0.87 -4.95 120.40 107.49 2dk1 s VAL 10 Ca 0.26 0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 60.30 2dk1 s VAL 10 Cb 0.07 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 2dk1 s VAL 10 CO 0.04 0.04 0.70 -0.70 -0.31 0.00 0.00 175.10 174.88 2dk1 s GLU 11 N 0.83 4.43 0.00 4.82 2.12 -1.26 -1.50 118.70 128.15 2dk1 s GLU 11 Ca -0.06 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.18 2dk1 s GLU 11 Cb -0.08 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2dk1 s GLU 11 CO -0.05 0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 2dk1 n GLY 12 N 2.80 5.28 3.26 -1.50 0.00 -0.14 -5.00 105.19 109.89 2dk1 n GLY 12 Ca -0.02 -0.76 -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 2.58 0.07 0.00 -0.61 -1.09 -1.26 -3.50 121.20 117.40 2dk1 s ILE 13 Ca 0.00 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 2dk1 s ILE 13 Cb 0.00 -0.88 0.00 0.00 -1.58 0.00 0.00 42.46 40.00 2dk1 s ILE 13 CO 0.00 -0.34 0.00 0.35 -1.23 0.00 0.00 174.94 173.72 2dk1 n THR 14 N 0.71 0.00 0.00 2.92 -2.24 -0.21 -4.84 114.28 110.62 2dk1 n THR 14 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2dk1 n THR 14 Cb 0.59 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.18 3.42 2.88 -1.26 -3.15 113.62 113.33 2dk1 n SER 15 Ca 0.00 0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 58.06 2dk1 n SER 15 Cb 0.00 -0.13 -0.07 0.00 -0.75 0.00 0.00 64.21 63.25 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 -0.29 0.00 -1.46 4.39 -2.07 -3.45 114.58 111.70 2dk1 h GLU 16 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dk1 h GLU 16 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2dk1 h GLU 16 CO 0.00 -0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.06 2dk1 n GLY 17 N -1.38 0.00 3.83 -3.84 0.00 -1.19 -5.16 105.19 97.46 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 3.54 -0.66 1.61 1.51 -1.26 -4.77 117.35 117.32 2dk1 s TYR 18 Ca 0.00 0.47 -0.27 0.00 -1.01 0.00 0.00 57.07 56.26 2dk1 s TYR 18 Cb 0.00 -2.02 -0.00 0.00 -0.11 0.00 0.00 41.96 39.83 2dk1 s TYR 18 CO 0.00 0.59 1.62 -1.01 -1.11 0.00 0.00 175.55 175.64 2dk1 s HIS 19 N -0.56 1.92 0.26 2.71 3.76 -1.26 -1.04 115.29 121.08 2dk1 s HIS 19 Ca 0.13 0.46 0.09 0.00 -0.15 0.00 0.00 55.06 55.58 2dk1 s HIS 19 Cb -0.12 -4.31 -0.04 0.00 1.11 0.00 0.00 32.58 29.23 2dk1 s HIS 19 CO 0.02 -2.21 0.06 1.52 -0.85 0.00 0.00 174.74 173.28 2dk1 s TYR 20 N 7.68 2.83 -0.13 1.40 1.13 -1.23 -4.91 117.35 124.13 2dk1 s TYR 20 Ca 0.54 -0.18 -0.00 0.00 -1.41 0.00 0.00 57.07 56.02 2dk1 s TYR 20 Cb -0.11 -1.27 -0.01 0.00 -1.10 0.00 0.00 41.96 39.47 2dk1 s TYR 20 CO 0.19 0.59 -0.14 0.71 -2.51 0.00 0.00 175.55 174.39 2dk1 s TYR 21 N -2.24 2.80 0.34 -3.49 2.02 -1.15 -0.97 117.35 114.67 2dk1 s TYR 21 Ca 0.32 -0.72 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 2dk1 s TYR 21 Cb -0.07 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2dk1 s TYR 21 CO 0.21 -0.26 0.33 -0.47 -1.57 0.00 0.00 175.55 173.79 2dk1 s TYR 22 N 0.44 2.94 -0.12 2.71 5.04 -0.56 -2.59 117.35 125.21 2dk1 s TYR 22 Ca -0.10 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.27 2dk1 s TYR 22 Cb -0.16 -1.85 0.01 0.00 0.35 0.00 0.00 41.96 40.31 2dk1 s TYR 22 CO 0.05 0.13 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.66 2dk1 s ASP 23 N -4.04 3.05 -0.02 4.32 1.01 0.14 -2.04 116.67 119.09 2dk1 s ASP 23 Ca 0.42 -0.57 0.14 0.00 0.71 0.00 0.00 52.55 53.25 2dk1 s ASP 23 Cb -0.07 -1.40 -0.20 0.00 1.01 0.00 0.00 42.92 42.26 2dk1 s ASP 23 CO 0.28 0.11 0.68 0.00 0.21 0.00 0.00 175.17 176.45 2dk1 n LEU 24 N 3.86 0.82 -0.10 1.23 -0.00 -1.20 -2.51 117.00 119.09 2dk1 n LEU 24 Ca -0.20 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2dk1 n LEU 24 Cb 0.52 0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 44.07 2dk1 n LEU 24 CO 0.27 0.31 0.41 -0.38 -0.00 0.00 0.00 177.39 178.00 2dk1 n ILE 25 N -2.97 -0.16 0.00 1.47 -0.00 -1.26 -4.14 119.36 112.30 2dk1 n ILE 25 Ca -0.15 1.47 0.00 0.00 -0.00 0.00 0.00 62.75 64.07 2dk1 n ILE 25 Cb 0.98 -1.91 0.00 0.00 -0.00 0.00 0.00 39.64 38.71 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 3.83 0.00 4.38 7.64 -1.26 -5.05 113.62 119.69 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 0.36 4.01 0.23 0.00 -1.04 -5.10 105.19 106.85 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 4.41 -0.09 4.61 0.00 -1.17 -4.87 121.76 124.64 2dk1 s ALA 28 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.20 2dk1 s ALA 28 Cb 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.44 2dk1 s ALA 28 CO 0.00 -0.47 0.27 -1.54 0.00 0.00 0.00 175.76 174.02 2dk1 s SER 29 N -4.41 -0.27 -0.11 0.00 1.04 -1.26 -0.68 113.70 108.00 2dk1 s SER 29 Ca 0.57 0.50 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 2dk1 s SER 29 Cb -0.09 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.62 2dk1 s SER 29 CO 0.35 -0.12 0.57 -1.58 0.98 0.00 0.00 173.24 173.44 2dk1 s GLN 30 N 0.02 0.83 -0.07 4.02 0.74 -1.07 -5.04 119.66 119.09 2dk1 s GLN 30 Ca -0.01 0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.77 2dk1 s GLN 30 Cb -0.02 0.39 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 2dk1 s GLN 30 CO 0.01 -0.20 0.18 -1.49 -0.55 0.00 0.00 175.29 173.24 2dk1 h TRP 31 N 4.09 -0.13 -2.59 1.67 -0.00 -1.95 -3.04 115.95 114.00 2dk1 h TRP 31 Ca -0.28 -0.00 -0.52 0.00 -0.00 0.00 0.00 58.89 58.08 2dk1 h TRP 31 Cb 1.16 0.04 0.23 0.00 -0.00 0.00 0.00 29.16 30.59 2dk1 h TRP 31 CO 0.41 -0.08 -1.26 0.39 -0.00 0.00 0.00 178.44 177.90 2dk1 n GLU 32 N -4.37 -0.33 -3.04 0.49 1.02 -1.26 -4.52 120.64 108.63 2dk1 n GLU 32 Ca -0.02 -0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 2dk1 n GLU 32 Cb 0.05 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.92 4.44 0.61 3.49 2.20 -1.26 -4.80 119.74 121.49 2dk1 s LYS 33 Ca 0.49 0.94 -0.15 0.00 -0.36 0.00 0.00 55.97 56.90 2dk1 s LYS 33 Cb -0.16 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2dk1 s LYS 33 CO 0.72 0.21 1.05 -1.25 -0.36 0.00 0.00 175.35 175.72 2dk1 s PRO 34 N 0.27 3.31 0.33 4.03 0.04 -1.26 -4.97 135.00 136.75 2dk1 s PRO 34 Ca 0.37 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 2dk1 s PRO 34 Cb -0.19 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 2dk1 s PRO 34 CO 0.20 -0.81 1.37 -0.85 0.04 0.00 0.00 177.00 176.96 2dk1 n GLU 35 N -2.20 2.29 -4.15 4.56 0.28 -1.26 -2.33 120.64 117.83 2dk1 n GLU 35 Ca 0.08 0.81 -0.33 0.00 -0.16 0.00 0.00 57.16 57.56 2dk1 n GLU 35 Cb 0.53 -2.45 -0.06 0.00 1.43 0.00 0.00 31.44 30.89 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 0.96 -0.29 0.28 -1.84 0.00 -1.26 -4.74 105.19 98.30 2dk1 n GLY 36 Ca 0.05 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.75 -0.59 -5.53 1.61 3.57 -1.84 -3.44 116.94 108.98 2dk1 h PHE 37 Ca -0.62 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.87 2dk1 h PHE 37 Cb 1.29 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 2dk1 h PHE 37 CO 0.44 -0.26 -0.97 1.04 -2.23 0.00 0.00 178.31 176.33 2dk1 n GLN 38 N -5.24 -2.98 -0.00 1.11 6.02 -1.26 -4.84 117.38 110.19 2dk1 n GLN 38 Ca -0.10 2.41 -0.01 0.00 -0.01 0.00 0.00 57.00 59.29 2dk1 n GLN 38 Cb 0.30 -3.39 -0.00 0.00 1.02 0.00 0.00 30.24 28.17 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dk1 n GLY 39 N 1.78 -0.23 3.17 1.08 0.00 -1.26 -5.03 105.19 104.70 2dk1 n GLY 39 Ca -0.19 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.85 2dk1 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk1 s ASP 40 N -4.62 -1.34 0.40 1.61 1.01 -1.26 -5.03 116.67 107.44 2dk1 s ASP 40 Ca -0.02 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.13 2dk1 s ASP 40 Cb 0.00 2.14 0.00 0.00 1.01 0.00 0.00 42.92 46.07 2dk1 s ASP 40 CO 0.03 -0.25 0.00 -0.11 0.21 0.00 0.00 175.17 175.05 2dk1 n LEU 41 N 5.43 -3.34 -4.10 1.23 7.94 -1.26 -5.16 117.00 117.74 2dk1 n LEU 41 Ca -0.02 0.76 -0.11 0.00 -1.11 0.00 0.00 56.01 55.54 2dk1 n LEU 41 Cb 0.51 3.18 -0.07 0.00 0.53 0.00 0.00 43.42 47.57 2dk1 n LEU 41 CO 0.02 0.10 0.00 -1.59 -1.11 0.00 0.00 177.39 174.81 2dk1 s LYS 42 N -1.84 1.46 0.03 1.96 0.00 -1.26 -5.18 119.74 114.91 2dk1 s LYS 42 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 55.97 54.50 2dk1 s LYS 42 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 37.83 38.19 2dk1 s LYS 42 CO 0.00 -0.56 -0.04 0.21 0.00 0.00 0.00 175.35 174.96 2dk1 s LYS 43 N -3.95 0.39 0.51 1.78 2.20 -1.26 -5.06 119.74 114.36 2dk1 s LYS 43 Ca 0.30 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 2dk1 s LYS 43 Cb 0.02 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2dk1 s LYS 43 CO 0.12 -0.03 0.00 2.41 -0.36 0.00 0.00 175.35 177.49 2dk1 n THR 44 N 1.43 -0.83 -2.02 3.43 -1.04 -1.26 -5.02 114.28 108.97 2dk1 n THR 44 Ca -0.23 0.80 -0.01 0.00 -2.04 0.00 0.00 64.05 62.57 2dk1 n THR 44 Cb 0.55 -1.20 -0.01 0.00 -1.82 0.00 0.00 70.33 67.85 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 -3.88 -5.34 0.00 8.00 7.64 -1.26 -5.09 113.62 113.69 2dk1 n SER 45 Ca -0.08 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2dk1 n SER 45 Cb 0.56 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 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 1.23 2.40 3.80 0.23 0.00 -1.26 -5.14 105.19 106.45 2dk1 n GLY 46 Ca -0.09 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 3.76 -0.35 1.61 0.04 -1.26 -5.04 135.00 131.75 2dk1 s PRO 47 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2dk1 s PRO 47 Cb 0.00 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.56 2dk1 s PRO 47 CO 0.00 -0.46 0.14 0.45 0.04 0.00 0.00 177.00 177.17 2dk1 s SER 48 N -2.07 3.92 0.59 6.66 0.15 -1.26 -4.97 113.70 116.72 2dk1 s SER 48 Ca 0.67 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2dk1 s SER 48 Cb -0.16 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 2dk1 s SER 48 CO 0.22 -0.36 0.00 -0.24 1.20 0.00 0.00 173.24 174.05 2dk1 n SER 49 N 4.37 -8.26 0.00 5.45 2.88 -1.26 -5.12 113.62 111.67 2dk1 n SER 49 Ca 0.02 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 2dk1 n SER 49 Cb 0.39 -4.96 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42