#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 4.40 0.28 1.61 0.01 -1.26 -5.12 113.70 113.62 2dk1 s SER 2 Ca 0.00 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 2dk1 s SER 2 Cb 0.00 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 2dk1 s SER 2 CO 0.00 0.27 0.51 -0.55 0.41 0.00 0.00 173.24 173.89 2dk1 s SER 3 N -1.43 6.40 0.00 2.44 0.15 -1.26 -4.98 113.70 115.03 2dk1 s SER 3 Ca 0.16 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2dk1 s SER 3 Cb -0.11 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dk1 s SER 3 CO 0.07 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dk1 n GLY 4 N -1.03 2.34 3.13 9.45 0.00 -1.26 -5.18 105.19 112.65 2dk1 n GLY 4 Ca -0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.52 -0.30 1.61 0.15 -1.26 -5.16 113.70 109.26 2dk1 s SER 5 Ca 0.00 -1.11 -0.12 0.00 0.70 0.00 0.00 55.95 55.43 2dk1 s SER 5 Cb 0.00 0.23 0.13 0.00 -1.71 0.00 0.00 66.02 64.66 2dk1 s SER 5 CO 0.00 -0.64 0.71 -0.55 1.20 0.00 0.00 173.24 173.96 2dk1 s SER 6 N -3.01 -1.02 0.00 5.45 0.15 -1.26 -5.14 113.70 108.87 2dk1 s SER 6 Ca 0.16 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2dk1 s SER 6 Cb 0.07 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.43 2dk1 s SER 6 CO -0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dk1 n GLY 7 N 5.15 2.31 2.74 9.45 0.00 -1.26 -4.39 105.19 119.20 2dk1 n GLY 7 Ca -0.13 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.74 0.75 0.15 1.61 1.81 -1.26 -4.91 118.95 113.36 2dk1 s ARG 8 Ca 0.00 -1.00 0.00 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 32.43 2dk1 s ARG 8 CO 0.00 -0.93 0.03 -1.58 -0.68 0.00 0.00 175.30 172.13 2dk1 s TRP 9 N 1.63 1.04 -0.03 -0.53 0.52 -1.26 -3.11 118.94 117.21 2dk1 s TRP 9 Ca 0.08 -1.12 -0.02 0.00 0.02 0.00 0.00 56.10 55.07 2dk1 s TRP 9 Cb -0.17 -0.60 0.02 0.00 -1.15 0.00 0.00 33.47 31.57 2dk1 s TRP 9 CO -0.23 -0.35 0.07 0.14 0.02 0.00 0.00 176.95 176.60 2dk1 s VAL 10 N -3.83 -0.02 -0.32 4.03 -7.23 -0.89 -4.95 120.40 107.18 2dk1 s VAL 10 Ca 0.24 0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 60.29 2dk1 s VAL 10 Cb 0.07 -0.12 -0.01 0.00 0.56 0.00 0.00 36.38 36.89 2dk1 s VAL 10 CO 0.03 0.04 0.62 -0.70 -0.31 0.00 0.00 175.10 174.78 2dk1 s GLU 11 N 0.51 3.83 0.00 4.82 2.12 -1.26 -1.92 118.70 126.80 2dk1 s GLU 11 Ca -0.04 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2dk1 s GLU 11 Cb -0.06 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2dk1 s GLU 11 CO -0.02 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 2dk1 n GLY 12 N 4.51 5.60 3.15 -1.50 0.00 -0.79 -5.00 105.19 111.15 2dk1 n GLY 12 Ca -0.01 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 1.33 0.09 0.00 -0.61 -1.09 -1.26 -3.23 121.20 116.44 2dk1 s ILE 13 Ca 0.00 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 2dk1 s ILE 13 Cb 0.00 -0.62 0.00 0.00 -1.58 0.00 0.00 42.46 40.26 2dk1 s ILE 13 CO 0.00 -0.41 0.00 1.07 -1.23 0.00 0.00 174.94 174.37 2dk1 n THR 14 N 1.16 0.00 -1.46 2.92 5.66 -0.83 -4.92 114.28 116.81 2dk1 n THR 14 Ca -0.21 0.00 -0.54 0.00 -3.05 0.00 0.00 64.05 60.25 2dk1 n THR 14 Cb 0.57 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.29 2dk1 n THR 14 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dk1 n SER 15 N -1.47 -0.49 0.00 1.09 7.64 -1.26 -1.71 113.62 117.41 2dk1 n SER 15 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2dk1 n SER 15 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2dk1 n SER 15 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dk1 n GLU 16 N 1.29 0.00 0.00 1.43 4.07 -1.26 -3.68 120.64 122.49 2dk1 n GLU 16 Ca 0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 2dk1 n GLU 16 Cb 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk1 n GLY 17 N 0.00 0.00 3.67 8.31 0.00 -0.69 -5.14 105.19 111.34 2dk1 n GLY 17 Ca 0.00 0.00 -0.40 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 3.42 -0.89 1.61 1.51 -1.23 -4.83 117.35 116.94 2dk1 s TYR 18 Ca 0.00 1.09 -0.24 0.00 -1.01 0.00 0.00 57.07 56.91 2dk1 s TYR 18 Cb 0.00 -2.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.03 2dk1 s TYR 18 CO 0.00 -0.16 1.32 -1.01 -1.11 0.00 0.00 175.55 174.59 2dk1 s HIS 19 N 1.84 2.52 0.41 2.71 3.76 -1.26 -1.97 115.29 123.30 2dk1 s HIS 19 Ca 0.33 -0.60 0.08 0.00 -0.15 0.00 0.00 55.06 54.72 2dk1 s HIS 19 Cb -0.16 -4.60 -0.01 0.00 1.11 0.00 0.00 32.58 28.91 2dk1 s HIS 19 CO 0.12 -1.92 0.43 1.52 -0.85 0.00 0.00 174.74 174.04 2dk1 s TYR 20 N 4.93 2.75 -0.11 1.40 -0.85 -1.20 -4.93 117.35 119.35 2dk1 s TYR 20 Ca 0.39 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.51 2dk1 s TYR 20 Cb -0.05 -2.21 0.01 0.00 0.38 0.00 0.00 41.96 40.10 2dk1 s TYR 20 CO 0.00 -0.18 -0.20 0.71 -1.52 0.00 0.00 175.55 174.36 2dk1 s TYR 21 N -2.43 2.29 0.33 -3.49 2.02 -0.99 -1.89 117.35 113.19 2dk1 s TYR 21 Ca 0.50 -1.02 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 2dk1 s TYR 21 Cb -0.05 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 2dk1 s TYR 21 CO 0.29 -0.46 0.30 -0.47 -1.57 0.00 0.00 175.55 173.64 2dk1 s TYR 22 N 0.66 2.93 -0.12 2.71 5.04 -0.81 -1.89 117.35 125.86 2dk1 s TYR 22 Ca -0.13 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 2dk1 s TYR 22 Cb -0.16 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.37 2dk1 s TYR 22 CO 0.03 0.19 -0.23 -0.51 -1.34 0.00 0.00 175.55 173.70 2dk1 s ASP 23 N -4.00 3.14 -0.01 4.32 1.01 0.29 -2.10 116.67 119.33 2dk1 s ASP 23 Ca 0.41 -0.57 0.15 0.00 0.71 0.00 0.00 52.55 53.24 2dk1 s ASP 23 Cb -0.06 -1.44 -0.19 0.00 1.01 0.00 0.00 42.92 42.24 2dk1 s ASP 23 CO 0.27 0.12 0.70 0.00 0.21 0.00 0.00 175.17 176.47 2dk1 n LEU 24 N 3.80 0.82 -0.11 1.23 -0.00 -1.18 -2.43 117.00 119.13 2dk1 n LEU 24 Ca -0.19 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2dk1 n LEU 24 Cb 0.52 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 44.06 2dk1 n LEU 24 CO 0.28 0.28 0.42 -0.38 -0.00 0.00 0.00 177.39 177.99 2dk1 n ILE 25 N -2.96 -0.19 0.00 1.47 -0.00 -1.26 -4.12 119.36 112.30 2dk1 n ILE 25 Ca -0.14 1.52 0.00 0.00 -0.00 0.00 0.00 62.75 64.13 2dk1 n ILE 25 Cb 0.96 -1.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.63 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 -3.56 3.95 0.00 4.38 7.64 -1.26 -5.05 113.62 119.72 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 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 3.24 0.32 3.99 0.23 0.00 -1.02 -5.10 105.19 106.86 2dk1 n GLY 27 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 4.30 -0.08 4.61 0.00 -1.10 -4.85 121.76 124.64 2dk1 s ALA 28 Ca 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.30 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 -0.20 0.36 -1.54 0.00 0.00 0.00 175.76 174.39 2dk1 s SER 29 N -4.26 -0.32 -0.05 0.00 1.04 -1.26 0.11 113.70 108.95 2dk1 s SER 29 Ca 0.50 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.09 2dk1 s SER 29 Cb -0.10 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.66 2dk1 s SER 29 CO 0.33 -0.30 0.75 -1.58 0.98 0.00 0.00 173.24 173.42 2dk1 s GLN 30 N -0.55 0.97 -0.12 4.02 0.74 -0.80 -5.02 119.66 118.89 2dk1 s GLN 30 Ca -0.07 0.14 -0.18 0.00 0.05 0.00 0.00 55.36 55.31 2dk1 s GLN 30 Cb -0.04 0.46 -0.16 0.00 1.10 0.00 0.00 33.01 34.37 2dk1 s GLN 30 CO 0.03 -0.32 0.46 -1.49 -0.55 0.00 0.00 175.29 173.42 2dk1 h TRP 31 N 2.77 0.00 -3.00 1.67 4.06 -1.95 -2.63 115.95 116.87 2dk1 h TRP 31 Ca -0.26 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.25 2dk1 h TRP 31 Cb 1.17 0.00 0.22 0.00 -1.00 0.00 0.00 29.16 29.55 2dk1 h TRP 31 CO 0.34 0.61 -0.27 0.39 -3.56 0.00 0.00 178.44 175.95 2dk1 n GLU 32 N -4.67 -2.30 -3.51 0.49 1.02 -1.26 -4.55 120.64 105.85 2dk1 n GLU 32 Ca -0.06 -0.64 -0.37 0.00 -0.02 0.00 0.00 57.16 56.06 2dk1 n GLU 32 Cb 0.29 -2.06 -0.07 0.00 -0.02 0.00 0.00 31.44 29.58 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 -4.17 4.21 0.52 3.49 2.20 -1.26 -4.80 119.74 119.93 2dk1 s LYS 33 Ca 0.66 0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 56.16 2dk1 s LYS 33 Cb -0.22 -3.47 -0.07 0.00 -1.51 0.00 0.00 37.83 32.55 2dk1 s LYS 33 CO 0.66 0.13 1.04 -1.25 -0.36 0.00 0.00 175.35 175.57 2dk1 s PRO 34 N 0.80 3.67 -0.57 4.03 0.04 -1.26 -4.88 135.00 136.83 2dk1 s PRO 34 Ca 0.16 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 2dk1 s PRO 34 Cb -0.14 -2.08 -0.23 0.00 0.04 0.00 0.00 34.50 32.10 2dk1 s PRO 34 CO 0.05 -0.53 1.83 -1.91 0.04 0.00 0.00 177.00 176.48 2dk1 n GLU 35 N -1.30 0.97 0.04 4.56 4.07 -1.26 -2.67 120.64 125.05 2dk1 n GLU 35 Ca 0.09 -1.62 0.00 0.00 -0.06 0.00 0.00 57.16 55.57 2dk1 n GLU 35 Cb 0.53 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.02 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 4.85 -0.94 3.11 8.31 0.00 -1.26 -4.92 105.19 114.34 2dk1 n GLY 36 Ca 0.48 0.31 -0.36 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.68 -2.25 -2.66 1.61 7.35 -1.09 -4.76 117.46 112.97 2dk1 n PHE 37 Ca 0.00 0.33 -0.04 0.00 -0.76 0.00 0.00 57.45 56.98 2dk1 n PHE 37 Cb 0.00 -1.48 0.07 0.00 0.35 0.00 0.00 39.48 38.42 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 0.92 0.07 -3.13 -4.13 6.02 -1.26 -5.00 117.38 110.88 2dk1 n GLN 38 Ca -0.00 -0.63 -0.28 0.00 -0.01 0.00 0.00 57.00 56.08 2dk1 n GLN 38 Cb 0.66 -0.08 -0.02 0.00 1.02 0.00 0.00 30.24 31.82 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 0.01 1.71 -0.31 1.08 0.00 -1.26 -4.91 107.32 103.63 2dk1 s GLY 39 Ca 0.25 -0.55 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 2dk1 s GLY 39 CO -0.08 -0.43 1.11 0.99 0.00 0.00 0.00 173.10 174.69 2dk1 s ASP 40 N -3.51 -0.16 -0.30 1.64 1.01 -1.26 -5.01 116.67 109.08 2dk1 s ASP 40 Ca 0.45 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.50 2dk1 s ASP 40 Cb -0.10 0.21 0.02 0.00 1.01 0.00 0.00 42.92 44.05 2dk1 s ASP 40 CO 0.34 -0.02 0.28 -0.11 0.21 0.00 0.00 175.17 175.88 2dk1 n LEU 41 N 3.46 -6.02 -2.96 1.23 7.94 -1.26 -4.32 117.00 115.08 2dk1 n LEU 41 Ca 0.06 0.68 -0.00 0.00 -1.11 0.00 0.00 56.01 55.63 2dk1 n LEU 41 Cb 0.64 -2.66 -0.00 0.00 0.53 0.00 0.00 43.42 41.94 2dk1 n LEU 41 CO -0.13 -2.01 -0.49 0.29 -1.11 0.00 0.00 177.39 173.94 2dk1 n LYS 42 N 0.41 -1.92 -3.85 1.96 4.76 -1.26 -4.98 118.16 113.28 2dk1 n LYS 42 Ca 0.02 1.79 -0.30 0.00 -2.87 0.00 0.00 58.31 56.95 2dk1 n LYS 42 Cb 0.36 -3.08 -0.15 0.00 -1.84 0.00 0.00 35.03 30.32 2dk1 n LYS 42 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dk1 s LYS 43 N -1.22 1.13 0.14 1.97 -0.14 -1.26 -5.12 119.74 115.24 2dk1 s LYS 43 Ca -0.01 -1.14 0.05 0.00 -1.36 0.00 0.00 55.97 53.51 2dk1 s LYS 43 Cb 0.00 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2dk1 s LYS 43 CO 0.38 -0.82 0.10 -0.08 -0.76 0.00 0.00 175.35 174.16 2dk1 s THR 44 N 1.44 4.39 -0.35 2.17 -1.32 -1.26 -4.86 115.64 115.85 2dk1 s THR 44 Ca 0.04 -1.03 -0.06 0.00 -1.21 0.00 0.00 61.69 59.43 2dk1 s THR 44 Cb -0.18 -3.20 0.05 0.00 -1.51 0.00 0.00 72.50 67.66 2dk1 s THR 44 CO -0.14 -0.03 0.12 -0.94 -2.21 0.00 0.00 174.62 171.41 2dk1 s SER 45 N -2.86 5.30 -0.16 8.08 1.04 -1.26 -5.05 113.70 118.79 2dk1 s SER 45 Ca 0.30 -1.29 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 2dk1 s SER 45 Cb -0.11 -1.86 0.06 0.00 0.10 0.00 0.00 66.02 64.21 2dk1 s SER 45 CO 0.22 -0.37 0.10 -0.83 0.98 0.00 0.00 173.24 173.35 2dk1 s GLY 46 N 1.52 0.30 0.07 7.32 0.00 -1.26 -5.02 107.32 110.25 2dk1 s GLY 46 Ca -0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.38 2dk1 s GLY 46 CO 0.02 1.73 1.21 -0.56 0.00 0.00 0.00 173.10 175.50 2dk1 h PRO 47 N 8.41 0.66 -3.24 2.90 0.13 -1.96 -3.49 132.00 135.41 2dk1 h PRO 47 Ca -0.15 -0.64 0.34 0.00 -0.87 0.00 0.00 66.00 64.68 2dk1 h PRO 47 Cb 1.15 0.17 -0.14 0.00 0.13 0.00 0.00 31.00 32.30 2dk1 h PRO 47 CO 0.27 1.25 -0.87 0.43 -0.23 0.00 0.00 178.00 178.85 2dk1 n SER 48 N -3.98 -8.04 -4.32 1.44 7.64 -1.26 -4.75 113.62 100.36 2dk1 n SER 48 Ca -0.10 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.37 2dk1 n SER 48 Cb 0.78 -4.51 0.01 0.00 -1.01 0.00 0.00 64.21 59.49 2dk1 n SER 48 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk1 n SER 49 N -4.32 -2.75 0.00 6.43 7.64 -1.26 -5.21 113.62 114.14 2dk1 n SER 49 Ca -0.04 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2dk1 n SER 49 Cb 0.67 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64