#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 1.67 -4.23 1.61 7.64 -1.26 -5.07 113.62 113.99 2dk1 n SER 2 Ca 0.00 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 60.01 2dk1 n SER 2 Cb 0.00 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 62.49 2dk1 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk1 s SER 3 N -5.95 1.66 0.06 6.43 1.04 -1.26 -5.12 113.70 110.56 2dk1 s SER 3 Ca -0.20 -0.96 -0.31 0.00 0.48 0.00 0.00 55.95 54.96 2dk1 s SER 3 Cb 0.03 0.00 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 2dk1 s SER 3 CO 0.29 -0.32 1.23 -0.83 0.98 0.00 0.00 173.24 174.59 2dk1 s GLY 4 N -2.98 2.32 0.12 7.32 0.00 -1.26 -5.02 107.32 107.82 2dk1 s GLY 4 Ca 0.14 0.87 -0.08 0.00 0.00 0.00 0.00 44.72 45.64 2dk1 s GLY 4 CO -0.00 2.10 0.42 -0.45 0.00 0.00 0.00 173.10 175.17 2dk1 s SER 5 N 1.12 6.60 0.39 1.64 0.15 -1.26 -4.94 113.70 117.40 2dk1 s SER 5 Ca 0.59 0.75 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2dk1 s SER 5 Cb -0.30 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2dk1 s SER 5 CO 0.29 0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.58 2dk1 n SER 6 N 0.49 -5.19 -4.88 5.45 2.88 -1.26 -4.91 113.62 106.20 2dk1 n SER 6 Ca -0.05 0.90 -0.30 0.00 -1.33 0.00 0.00 58.87 58.09 2dk1 n SER 6 Cb 0.52 -3.19 -0.03 0.00 -0.75 0.00 0.00 64.21 60.76 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 -6.18 1.92 -0.29 0.46 0.00 -1.26 -5.07 107.32 96.89 2dk1 s GLY 7 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2dk1 s GLY 7 CO 0.00 -0.08 0.09 0.50 0.00 0.00 0.00 173.10 173.60 2dk1 s ARG 8 N -3.81 0.73 0.07 2.90 1.81 -1.26 -5.07 118.95 114.32 2dk1 s ARG 8 Ca 0.50 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 2dk1 s ARG 8 Cb -0.10 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.34 2dk1 s ARG 8 CO 0.31 -0.94 -0.05 -1.58 -0.68 0.00 0.00 175.30 172.37 2dk1 s TRP 9 N 1.64 0.70 -0.01 -0.53 0.52 -1.26 -3.21 118.94 116.79 2dk1 s TRP 9 Ca 0.08 -0.93 -0.00 0.00 0.02 0.00 0.00 56.10 55.27 2dk1 s TRP 9 Cb -0.17 -0.44 0.01 0.00 -1.15 0.00 0.00 33.47 31.71 2dk1 s TRP 9 CO -0.23 -0.24 0.02 0.14 0.02 0.00 0.00 176.95 176.66 2dk1 s VAL 10 N -3.49 -0.01 -0.15 4.03 -7.23 -0.69 -4.94 120.40 107.91 2dk1 s VAL 10 Ca 0.07 0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 60.07 2dk1 s VAL 10 Cb 0.05 -0.04 -0.03 0.00 0.56 0.00 0.00 36.38 36.92 2dk1 s VAL 10 CO -0.06 0.02 0.69 -0.70 -0.31 0.00 0.00 175.10 174.74 2dk1 s GLU 11 N 0.25 4.30 0.00 4.82 2.12 -1.26 -0.92 118.70 128.01 2dk1 s GLU 11 Ca -0.02 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.09 2dk1 s GLU 11 Cb -0.03 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2dk1 s GLU 11 CO -0.01 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 2dk1 n GLY 12 N 3.49 5.54 3.21 -1.50 0.00 0.79 -4.98 105.19 111.74 2dk1 n GLY 12 Ca -0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 2.28 0.09 0.00 -0.61 -1.09 -1.26 -3.03 121.20 117.58 2dk1 s ILE 13 Ca 0.00 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 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 -0.42 0.00 0.35 -1.23 0.00 0.00 174.94 173.64 2dk1 n THR 14 N 0.72 0.00 -1.51 2.92 -2.24 -0.48 -4.87 114.28 108.82 2dk1 n THR 14 Ca -0.19 0.00 -0.53 0.00 -2.27 0.00 0.00 64.05 61.06 2dk1 n THR 14 Cb 0.59 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.48 0.26 0.00 3.42 2.88 -1.26 -1.80 113.62 115.64 2dk1 n SER 15 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2dk1 n SER 15 Cb 0.00 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 2dk1 n SER 15 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2dk1 n GLU 16 N 1.54 0.00 0.00 -1.46 4.07 -1.26 -3.76 120.64 119.76 2dk1 n GLU 16 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2dk1 n GLU 16 Cb 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 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 3.69 8.31 0.00 -0.74 -5.15 105.19 111.30 2dk1 n GLY 17 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.44 -0.50 1.61 2.02 -1.24 -4.83 117.35 117.85 2dk1 s TYR 18 Ca 0.00 0.78 -0.28 0.00 -0.37 0.00 0.00 57.07 57.20 2dk1 s TYR 18 Cb 0.00 -2.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 2dk1 s TYR 18 CO 0.00 0.05 1.52 -1.01 -1.57 0.00 0.00 175.55 174.54 2dk1 s HIS 19 N 1.09 2.17 0.37 2.71 3.76 -1.26 -1.38 115.29 122.75 2dk1 s HIS 19 Ca 0.23 0.58 0.08 0.00 -0.15 0.00 0.00 55.06 55.81 2dk1 s HIS 19 Cb -0.15 -4.30 -0.06 0.00 1.11 0.00 0.00 32.58 29.17 2dk1 s HIS 19 CO 0.09 -2.15 -0.00 1.52 -0.85 0.00 0.00 174.74 173.35 2dk1 s TYR 20 N 6.40 2.50 -0.14 1.40 1.13 -1.17 -4.93 117.35 122.55 2dk1 s TYR 20 Ca 0.60 -0.54 0.02 0.00 -1.41 0.00 0.00 57.07 55.74 2dk1 s TYR 20 Cb -0.13 -1.59 0.01 0.00 -1.10 0.00 0.00 41.96 39.14 2dk1 s TYR 20 CO 0.27 0.47 -0.20 0.71 -2.51 0.00 0.00 175.55 174.29 2dk1 s TYR 21 N -2.61 2.70 0.29 -3.49 2.02 -1.13 -0.15 117.35 114.97 2dk1 s TYR 21 Ca 0.35 -1.22 0.06 0.00 -0.37 0.00 0.00 57.07 55.89 2dk1 s TYR 21 Cb 0.04 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2dk1 s TYR 21 CO 0.18 -0.55 0.39 -0.47 -1.57 0.00 0.00 175.55 173.53 2dk1 s TYR 22 N 0.77 3.24 -0.14 2.71 5.04 -0.10 -2.65 117.35 126.22 2dk1 s TYR 22 Ca -0.08 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2dk1 s TYR 22 Cb -0.16 -1.75 -0.01 0.00 0.35 0.00 0.00 41.96 40.40 2dk1 s TYR 22 CO -0.00 0.24 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.78 2dk1 s ASP 23 N -4.05 3.67 -0.01 4.32 1.01 0.44 -1.71 116.67 120.35 2dk1 s ASP 23 Ca 0.39 -0.44 0.15 0.00 0.71 0.00 0.00 52.55 53.36 2dk1 s ASP 23 Cb -0.09 -1.55 -0.19 0.00 1.01 0.00 0.00 42.92 42.09 2dk1 s ASP 23 CO 0.29 0.12 0.69 0.00 0.21 0.00 0.00 175.17 176.48 2dk1 n LEU 24 N 3.83 0.80 -0.11 1.23 -0.00 -1.20 -2.50 117.00 119.05 2dk1 n LEU 24 Ca -0.19 0.37 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2dk1 n LEU 24 Cb 0.52 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.07 2dk1 n LEU 24 CO 0.29 0.29 0.42 -0.38 -0.00 0.00 0.00 177.39 178.01 2dk1 n ILE 25 N -2.95 -0.17 0.00 1.47 -0.00 -1.26 -4.15 119.36 112.30 2dk1 n ILE 25 Ca -0.15 1.51 0.00 0.00 -0.00 0.00 0.00 62.75 64.12 2dk1 n ILE 25 Cb 0.96 -1.96 0.00 0.00 -0.00 0.00 0.00 39.64 38.64 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 -3.51 3.87 0.00 4.38 7.64 -1.26 -5.05 113.62 119.69 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 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 3.22 0.36 4.01 0.23 0.00 -1.04 -5.10 105.19 106.87 2dk1 n GLY 27 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 4.37 -0.01 4.61 0.00 -1.15 -4.86 121.76 124.71 2dk1 s ALA 28 Ca 0.00 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.04 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 -0.68 0.35 -1.54 0.00 0.00 0.00 175.76 173.89 2dk1 s SER 29 N -4.51 -0.24 -0.17 0.00 1.04 -1.26 -0.42 113.70 108.15 2dk1 s SER 29 Ca 0.59 0.13 -0.28 0.00 0.48 0.00 0.00 55.95 56.87 2dk1 s SER 29 Cb -0.08 0.34 0.09 0.00 0.10 0.00 0.00 66.02 66.48 2dk1 s SER 29 CO 0.37 -0.49 0.83 -1.58 0.98 0.00 0.00 173.24 173.36 2dk1 s GLN 30 N -1.45 0.79 -0.09 4.02 0.74 -1.09 -5.02 119.66 117.56 2dk1 s GLN 30 Ca -0.12 0.45 -0.08 0.00 0.05 0.00 0.00 55.36 55.66 2dk1 s GLN 30 Cb -0.04 0.38 -0.06 0.00 1.10 0.00 0.00 33.01 34.39 2dk1 s GLN 30 CO 0.04 -0.19 0.27 -1.49 -0.55 0.00 0.00 175.29 173.36 2dk1 h TRP 31 N 3.53 -0.11 -2.52 1.67 4.06 -1.95 -2.99 115.95 117.64 2dk1 h TRP 31 Ca -0.25 -0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.21 2dk1 h TRP 31 Cb 1.16 0.04 0.23 0.00 -1.00 0.00 0.00 29.16 29.58 2dk1 h TRP 31 CO 0.35 0.07 -1.07 0.39 -3.56 0.00 0.00 178.44 174.62 2dk1 n GLU 32 N -4.84 -1.12 -3.10 0.49 1.02 -1.26 -4.55 120.64 107.28 2dk1 n GLU 32 Ca -0.03 -0.30 -0.39 0.00 -0.02 0.00 0.00 57.16 56.41 2dk1 n GLU 32 Cb 0.11 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.37 4.40 0.73 3.49 2.20 -1.26 -4.75 119.74 121.18 2dk1 s LYS 33 Ca 0.55 0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 56.97 2dk1 s LYS 33 Cb -0.13 -3.32 0.03 0.00 -1.51 0.00 0.00 37.83 32.90 2dk1 s LYS 33 CO 0.67 0.42 1.07 -1.25 -0.36 0.00 0.00 175.35 175.90 2dk1 s PRO 34 N -0.45 2.66 0.25 4.03 0.04 -1.26 -4.97 135.00 135.30 2dk1 s PRO 34 Ca 0.34 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.92 2dk1 s PRO 34 Cb -0.20 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 2dk1 s PRO 34 CO 0.21 -1.27 1.67 -1.91 0.04 0.00 0.00 177.00 175.74 2dk1 n GLU 35 N -3.23 2.77 -4.09 4.56 4.07 -1.26 -2.78 120.64 120.68 2dk1 n GLU 35 Ca 0.07 0.99 -0.42 0.00 -0.06 0.00 0.00 57.16 57.75 2dk1 n GLU 35 Cb 0.54 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 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 3.12 -0.67 0.14 8.31 0.00 -1.26 -4.85 105.19 109.98 2dk1 n GLY 36 Ca 0.12 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.14 -0.22 -6.39 1.61 3.57 -1.91 -3.47 116.94 108.00 2dk1 h PHE 37 Ca -0.65 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 60.66 2dk1 h PHE 37 Cb 1.30 0.07 0.01 0.00 2.79 0.00 0.00 35.95 40.12 2dk1 h PHE 37 CO 0.36 0.15 -1.09 0.00 -2.23 0.00 0.00 178.31 175.50 2dk1 n GLN 38 N -5.02 -1.21 -2.87 1.11 10.64 -1.26 -4.92 117.38 113.85 2dk1 n GLN 38 Ca -0.09 1.18 -0.09 0.00 -1.83 0.00 0.00 57.00 56.17 2dk1 n GLN 38 Cb 0.25 -1.76 -0.00 0.00 -0.86 0.00 0.00 30.24 27.87 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dk1 n GLY 39 N 0.54 0.12 0.00 2.61 0.00 -1.26 -5.07 105.19 102.14 2dk1 n GLY 39 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.55 0.00 -3.70 1.61 2.03 -1.26 -4.75 116.55 113.03 2dk1 n ASP 40 Ca 0.18 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.35 2dk1 n ASP 40 Cb 0.56 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.87 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2dk1 s LEU 41 N 0.00 0.15 -0.85 -2.67 2.96 -1.26 -4.97 118.68 112.05 2dk1 s LEU 41 Ca 0.00 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 54.73 2dk1 s LEU 41 Cb 0.00 1.70 -0.00 0.00 0.50 0.00 0.00 46.19 48.39 2dk1 s LEU 41 CO 0.00 -0.24 0.67 0.29 -1.32 0.00 0.00 176.35 175.76 2dk1 n LYS 42 N 2.49 -1.39 -2.22 1.98 4.76 -1.26 -4.83 118.16 117.69 2dk1 n LYS 42 Ca -0.15 0.98 -0.43 0.00 -2.87 0.00 0.00 58.31 55.84 2dk1 n LYS 42 Cb 0.57 -3.89 -0.02 0.00 -1.84 0.00 0.00 35.03 29.84 2dk1 n LYS 42 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dk1 s LYS 43 N -4.42 4.19 -0.83 1.97 0.00 -1.26 -3.58 119.74 115.81 2dk1 s LYS 43 Ca 0.08 1.90 -0.03 0.00 0.00 0.00 0.00 55.97 57.92 2dk1 s LYS 43 Cb -0.03 -3.87 -0.00 0.00 0.00 0.00 0.00 37.83 33.92 2dk1 s LYS 43 CO 0.84 -0.79 0.69 2.41 0.00 0.00 0.00 175.35 178.50 2dk1 n THR 44 N 5.46 -7.46 -3.92 3.79 -1.04 -1.26 -5.02 114.28 104.83 2dk1 n THR 44 Ca 0.16 -0.32 -0.09 0.00 -2.04 0.00 0.00 64.05 61.76 2dk1 n THR 44 Cb 0.44 -5.34 -0.08 0.00 -1.82 0.00 0.00 70.33 63.53 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 -3.08 0.16 0.38 8.00 0.15 -1.24 -4.95 113.70 113.13 2dk1 s SER 45 Ca 0.09 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dk1 s SER 45 Cb -0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2dk1 s SER 45 CO 0.81 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2dk1 n GLY 46 N -0.07 -0.56 0.18 9.45 0.00 -1.26 -4.15 105.19 108.78 2dk1 n GLY 46 Ca -0.13 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.61 -6.60 1.61 0.13 -2.03 -3.42 132.00 122.30 2dk1 h PRO 47 Ca 0.00 -0.59 -0.56 0.00 -0.87 0.00 0.00 66.00 63.98 2dk1 h PRO 47 Cb 0.00 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.22 2dk1 h PRO 47 CO 0.00 1.20 1.00 0.45 -0.23 0.00 0.00 178.00 180.42 2dk1 s SER 48 N -6.99 6.49 0.31 1.44 0.15 -1.26 -5.00 113.70 108.83 2dk1 s SER 48 Ca -0.11 0.68 -0.06 0.00 0.70 0.00 0.00 55.95 57.16 2dk1 s SER 48 Cb 0.06 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2dk1 s SER 48 CO 0.87 -1.33 0.59 -0.94 1.20 0.00 0.00 173.24 173.63 2dk1 s SER 49 N 3.19 6.45 0.00 5.45 1.04 -1.26 -4.24 113.70 124.34 2dk1 s SER 49 Ca 0.55 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.75 2dk1 s SER 49 Cb -0.11 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2dk1 s SER 49 CO 0.32 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.92