#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 -0.51 -0.04 1.61 0.01 -1.26 -5.15 113.70 108.35 2dk1 s SER 2 Ca 0.00 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2dk1 s SER 2 Cb 0.00 1.34 0.03 0.00 0.21 0.00 0.00 66.02 67.59 2dk1 s SER 2 CO 0.00 -0.09 -0.02 -0.55 0.41 0.00 0.00 173.24 172.99 2dk1 s SER 3 N 2.95 0.89 -0.46 2.44 0.15 -1.26 -5.07 113.70 113.33 2dk1 s SER 3 Ca 0.22 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.86 2dk1 s SER 3 Cb -0.04 -0.35 0.23 0.00 -1.71 0.00 0.00 66.02 64.15 2dk1 s SER 3 CO -0.21 -0.10 0.53 0.61 1.20 0.00 0.00 173.24 175.27 2dk1 n GLY 4 N 4.34 3.19 3.63 9.45 0.00 -1.26 -5.07 105.19 119.47 2dk1 n GLY 4 Ca -0.21 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.24 -0.20 -0.51 1.61 1.04 -1.26 -5.11 113.70 108.03 2dk1 s SER 5 Ca 0.35 0.30 0.03 0.00 0.48 0.00 0.00 55.95 57.11 2dk1 s SER 5 Cb 0.13 0.27 0.15 0.00 0.10 0.00 0.00 66.02 66.67 2dk1 s SER 5 CO -0.11 -0.14 0.32 -0.44 0.98 0.00 0.00 173.24 173.85 2dk1 s SER 6 N -0.57 3.73 0.00 7.02 0.01 -1.26 -5.05 113.70 117.57 2dk1 s SER 6 Ca 0.05 -3.04 0.00 0.00 1.31 0.00 0.00 55.95 54.27 2dk1 s SER 6 Cb -0.02 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2dk1 s SER 6 CO -0.07 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dk1 n GLY 7 N 3.00 3.72 2.74 3.44 0.00 -1.26 -4.81 105.19 112.02 2dk1 n GLY 7 Ca 0.14 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.44 0.75 0.06 1.61 1.81 -1.26 -4.97 118.95 114.51 2dk1 s ARG 8 Ca 0.00 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 2dk1 s ARG 8 Cb 0.00 -2.04 -0.03 0.00 -0.45 0.00 0.00 34.95 32.43 2dk1 s ARG 8 CO 0.00 -0.93 -0.06 -1.58 -0.68 0.00 0.00 175.30 172.05 2dk1 s TRP 9 N 1.63 0.69 -0.05 -0.53 0.52 -1.26 -3.16 118.94 116.78 2dk1 s TRP 9 Ca 0.08 -0.79 -0.00 0.00 0.02 0.00 0.00 56.10 55.40 2dk1 s TRP 9 Cb -0.17 -0.42 0.03 0.00 -1.15 0.00 0.00 33.47 31.75 2dk1 s TRP 9 CO -0.22 -0.18 -0.00 0.14 0.02 0.00 0.00 176.95 176.70 2dk1 s VAL 10 N -2.85 0.27 -0.36 4.03 -7.23 -0.15 -4.93 120.40 109.17 2dk1 s VAL 10 Ca 0.02 0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 60.04 2dk1 s VAL 10 Cb 0.00 -0.39 0.01 0.00 0.56 0.00 0.00 36.38 36.57 2dk1 s VAL 10 CO -0.04 0.20 0.90 -0.70 -0.31 0.00 0.00 175.10 175.14 2dk1 s GLU 11 N 1.41 3.84 0.00 4.82 2.12 -1.26 -0.85 118.70 128.78 2dk1 s GLU 11 Ca -0.04 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.83 2dk1 s GLU 11 Cb -0.13 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.46 2dk1 s GLU 11 CO -0.03 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 2dk1 n GLY 12 N 4.39 5.51 3.15 -1.50 0.00 0.46 -4.96 105.19 112.23 2dk1 n GLY 12 Ca 0.06 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 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 1.82 0.07 0.00 -0.61 -1.09 -1.26 -2.83 121.20 117.30 2dk1 s ILE 13 Ca 0.00 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2dk1 s ILE 13 Cb 0.00 -0.49 0.00 0.00 -1.58 0.00 0.00 42.46 40.39 2dk1 s ILE 13 CO 0.00 -0.33 0.00 1.07 -1.23 0.00 0.00 174.94 174.45 2dk1 n THR 14 N 1.43 0.00 -1.05 2.92 5.66 -0.76 -4.91 114.28 117.56 2dk1 n THR 14 Ca -0.22 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.43 2dk1 n THR 14 Cb 0.56 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.33 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 -1.31 -1.97 0.00 1.09 7.64 -1.26 -1.15 113.62 116.66 2dk1 n SER 15 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.59 2dk1 n SER 15 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2dk1 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dk1 n GLU 16 N 1.00 0.00 0.00 1.43 1.02 -1.26 -2.90 120.64 119.93 2dk1 n GLU 16 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2dk1 n GLU 16 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dk1 n GLY 17 N 0.00 0.00 3.68 0.62 0.00 -0.30 -5.14 105.19 104.05 2dk1 n GLY 17 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.46 -0.72 1.61 1.51 -1.14 -4.80 117.35 117.26 2dk1 s TYR 18 Ca 0.00 1.28 -0.27 0.00 -1.01 0.00 0.00 57.07 57.07 2dk1 s TYR 18 Cb 0.00 -2.99 0.02 0.00 -0.11 0.00 0.00 41.96 38.89 2dk1 s TYR 18 CO 0.00 -0.18 1.34 -1.01 -1.11 0.00 0.00 175.55 174.59 2dk1 s HIS 19 N 1.89 2.22 0.09 2.71 3.76 -1.26 -1.83 115.29 122.86 2dk1 s HIS 19 Ca 0.39 0.05 0.08 0.00 -0.15 0.00 0.00 55.06 55.42 2dk1 s HIS 19 Cb -0.17 -4.57 -0.04 0.00 1.11 0.00 0.00 32.58 28.91 2dk1 s HIS 19 CO 0.14 -2.09 -0.16 1.52 -0.85 0.00 0.00 174.74 173.29 2dk1 s TYR 20 N 6.07 2.59 -0.20 1.40 -0.85 -1.13 -4.94 117.35 120.29 2dk1 s TYR 20 Ca 0.39 -0.24 -0.07 0.00 -0.52 0.00 0.00 57.07 56.63 2dk1 s TYR 20 Cb -0.08 -1.40 -0.04 0.00 0.38 0.00 0.00 41.96 40.82 2dk1 s TYR 20 CO 0.16 0.36 0.06 0.71 -1.52 0.00 0.00 175.55 175.31 2dk1 s TYR 21 N -1.09 3.20 0.30 -3.49 2.02 -1.02 -0.41 117.35 116.86 2dk1 s TYR 21 Ca 0.18 -0.04 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 2dk1 s TYR 21 Cb -0.11 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 2dk1 s TYR 21 CO 0.09 0.03 0.25 -0.47 -1.57 0.00 0.00 175.55 173.88 2dk1 s TYR 22 N 0.65 2.99 -0.12 2.71 6.14 -0.03 -2.23 117.35 127.46 2dk1 s TYR 22 Ca 0.03 -0.22 0.02 0.00 0.64 0.00 0.00 57.07 57.54 2dk1 s TYR 22 Cb -0.13 -1.62 -0.01 0.00 0.42 0.00 0.00 41.96 40.62 2dk1 s TYR 22 CO 0.02 0.34 -0.18 -0.51 0.64 0.00 0.00 175.55 175.86 2dk1 s ASP 23 N -3.92 3.61 -0.02 4.32 1.01 0.28 -0.98 116.67 120.97 2dk1 s ASP 23 Ca 0.37 -0.43 0.15 0.00 0.71 0.00 0.00 52.55 53.34 2dk1 s ASP 23 Cb -0.07 -1.53 -0.20 0.00 1.01 0.00 0.00 42.92 42.13 2dk1 s ASP 23 CO 0.26 0.15 0.66 0.00 0.21 0.00 0.00 175.17 176.45 2dk1 n LEU 24 N 3.58 0.78 -0.11 1.23 -0.00 -1.19 -2.47 117.00 118.82 2dk1 n LEU 24 Ca -0.19 0.36 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2dk1 n LEU 24 Cb 0.53 0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 44.09 2dk1 n LEU 24 CO 0.29 0.31 0.42 -0.38 -0.00 0.00 0.00 177.39 178.04 2dk1 n ILE 25 N -2.96 -0.19 0.00 1.47 -0.00 -1.26 -4.13 119.36 112.30 2dk1 n ILE 25 Ca -0.16 1.53 0.00 0.00 -0.00 0.00 0.00 62.75 64.12 2dk1 n ILE 25 Cb 0.99 -1.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.66 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 3.92 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 63.37 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 0.35 3.97 0.23 0.00 -1.03 -5.10 105.19 106.85 2dk1 n GLY 27 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 3.94 0.00 4.61 0.00 -1.13 -4.85 121.76 124.34 2dk1 s ALA 28 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2dk1 s ALA 28 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2dk1 s ALA 28 CO 0.00 -0.09 0.14 -1.54 0.00 0.00 0.00 175.76 174.27 2dk1 s SER 29 N -4.13 0.02 -0.09 0.00 1.04 -1.26 0.10 113.70 109.38 2dk1 s SER 29 Ca 0.43 -0.19 -0.31 0.00 0.48 0.00 0.00 55.95 56.36 2dk1 s SER 29 Cb -0.10 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.32 2dk1 s SER 29 CO 0.34 -0.36 0.80 -1.58 0.98 0.00 0.00 173.24 173.41 2dk1 s GLN 30 N -1.34 0.89 -0.09 4.02 0.74 -0.95 -5.02 119.66 117.91 2dk1 s GLN 30 Ca -0.14 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 55.38 2dk1 s GLN 30 Cb -0.07 0.42 -0.09 0.00 1.10 0.00 0.00 33.01 34.37 2dk1 s GLN 30 CO 0.02 -0.28 0.38 -1.49 -0.55 0.00 0.00 175.29 173.37 2dk1 h TRP 31 N 2.85 -0.11 -2.72 1.67 -0.00 -1.93 -2.69 115.95 113.02 2dk1 h TRP 31 Ca -0.24 -0.00 -0.39 0.00 -0.00 0.00 0.00 58.89 58.26 2dk1 h TRP 31 Cb 1.15 0.04 0.21 0.00 -0.00 0.00 0.00 29.16 30.56 2dk1 h TRP 31 CO 0.35 0.17 -0.35 0.39 -0.00 0.00 0.00 178.44 179.00 2dk1 n GLU 32 N -4.83 -2.99 -3.05 0.49 1.02 -1.26 -4.45 120.64 105.56 2dk1 n GLU 32 Ca -0.04 -0.87 -0.40 0.00 -0.02 0.00 0.00 57.16 55.84 2dk1 n GLU 32 Cb 0.17 -1.90 -0.05 0.00 -0.02 0.00 0.00 31.44 29.64 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 -4.23 4.44 -0.15 3.49 2.20 -1.26 -4.65 119.74 119.58 2dk1 s LYS 33 Ca 0.61 0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 56.88 2dk1 s LYS 33 Cb -0.16 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2dk1 s LYS 33 CO 0.59 0.28 1.27 -1.25 -0.36 0.00 0.00 175.35 175.89 2dk1 s PRO 34 N -0.01 4.24 -0.69 4.03 0.04 -1.26 -4.89 135.00 136.45 2dk1 s PRO 34 Ca 0.36 1.68 -0.32 0.00 0.04 0.00 0.00 61.00 62.76 2dk1 s PRO 34 Cb -0.20 -3.76 -0.16 0.00 0.04 0.00 0.00 34.50 30.43 2dk1 s PRO 34 CO 0.21 -0.69 2.47 -1.91 0.04 0.00 0.00 177.00 177.12 2dk1 n GLU 35 N 6.52 0.46 0.00 4.56 2.13 -1.26 -0.09 120.64 132.96 2dk1 n GLU 35 Ca 0.14 0.05 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2dk1 n GLU 35 Cb 0.45 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dk1 n GLY 36 N 6.51 2.35 0.43 8.31 0.00 -1.26 -4.91 105.19 116.61 2dk1 n GLY 36 Ca 0.53 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.61 -6.21 1.61 3.57 -0.87 -3.45 116.94 109.98 2dk1 h PHE 37 Ca 0.00 0.08 -0.43 0.00 3.53 0.00 0.00 57.97 61.15 2dk1 h PHE 37 Cb 0.00 0.75 0.09 0.00 2.79 0.00 0.00 35.95 39.58 2dk1 h PHE 37 CO 0.00 -0.47 -0.94 1.04 -2.23 0.00 0.00 178.31 175.71 2dk1 n GLN 38 N -5.24 -1.25 0.00 1.11 1.13 -1.26 -4.66 117.38 107.21 2dk1 n GLN 38 Ca -0.04 0.46 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 2dk1 n GLN 38 Cb 0.33 -4.16 0.00 0.00 0.11 0.00 0.00 30.24 26.52 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dk1 n GLY 39 N -1.67 0.96 3.76 1.08 0.00 -1.26 -4.47 105.19 103.59 2dk1 n GLY 39 Ca -0.09 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.58 4.60 0.46 1.61 1.01 -1.26 -4.91 116.67 114.60 2dk1 s ASP 40 Ca 0.00 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.21 2dk1 s ASP 40 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2dk1 s ASP 40 CO 0.00 -1.97 0.00 -0.11 0.21 0.00 0.00 175.17 173.30 2dk1 n LEU 41 N -3.11 -4.09 -3.15 1.23 7.94 -1.26 -5.08 117.00 109.49 2dk1 n LEU 41 Ca 0.10 0.91 0.01 0.00 -1.11 0.00 0.00 56.01 55.92 2dk1 n LEU 41 Cb 0.52 3.81 -0.01 0.00 0.53 0.00 0.00 43.42 48.28 2dk1 n LEU 41 CO 0.51 0.31 0.12 -0.75 -1.11 0.00 0.00 177.39 176.46 2dk1 s LYS 42 N -1.98 0.80 1.26 1.96 2.20 -1.26 -5.16 119.74 117.56 2dk1 s LYS 42 Ca 0.00 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.13 2dk1 s LYS 42 Cb 0.00 0.08 0.28 0.00 -1.51 0.00 0.00 37.83 36.69 2dk1 s LYS 42 CO 0.00 -1.14 0.73 0.36 -0.36 0.00 0.00 175.35 174.94 2dk1 n LYS 43 N 4.26 -3.13 -4.19 4.03 2.85 -1.26 -3.44 118.16 117.27 2dk1 n LYS 43 Ca 0.11 -0.91 -0.30 0.00 -1.05 0.00 0.00 58.31 56.17 2dk1 n LYS 43 Cb 0.57 -1.94 -0.07 0.00 -0.65 0.00 0.00 35.03 32.95 2dk1 n LYS 43 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2dk1 n THR 44 N -5.14 -1.70 -2.56 0.58 5.66 -1.26 -4.83 114.28 105.04 2dk1 n THR 44 Ca 0.05 -0.45 -0.43 0.00 -3.05 0.00 0.00 64.05 60.18 2dk1 n THR 44 Cb 0.56 -1.62 -0.02 0.00 -1.55 0.00 0.00 70.33 67.70 2dk1 n THR 44 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dk1 s SER 45 N -4.26 6.61 0.00 1.09 0.15 -1.22 -4.83 113.70 111.23 2dk1 s SER 45 Ca 0.09 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2dk1 s SER 45 Cb -0.05 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dk1 s SER 45 CO 0.96 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dk1 n GLY 46 N 4.79 2.56 3.61 9.45 0.00 -1.26 -5.00 105.19 119.34 2dk1 n GLY 46 Ca 0.13 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.06 3.69 -0.23 1.61 0.04 -1.26 -4.97 135.00 131.82 2dk1 s PRO 47 Ca 0.00 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 2dk1 s PRO 47 Cb 0.00 -3.98 0.07 0.00 0.04 0.00 0.00 34.50 30.63 2dk1 s PRO 47 CO 0.00 -1.41 0.07 0.45 0.04 0.00 0.00 177.00 176.14 2dk1 s SER 48 N 3.59 3.20 -0.73 6.66 0.15 -1.26 -5.07 113.70 120.23 2dk1 s SER 48 Ca 0.60 -1.05 -0.26 0.00 0.70 0.00 0.00 55.95 55.94 2dk1 s SER 48 Cb -0.15 -0.59 -0.07 0.00 -1.71 0.00 0.00 66.02 63.50 2dk1 s SER 48 CO 0.29 -0.35 2.11 -0.44 1.20 0.00 0.00 173.24 176.05 2dk1 s SER 49 N 1.86 4.76 0.00 5.45 0.01 -1.26 -5.19 113.70 119.34 2dk1 s SER 49 Ca 0.03 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2dk1 s SER 49 Cb -0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dk1 s SER 49 CO -0.16 -2.94 0.00 0.61 0.41 0.00 0.00 173.24 171.16