#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 1.14 -4.45 1.61 2.88 -1.26 -4.92 113.62 108.62 2dk1 n SER 2 Ca 0.00 0.17 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 2dk1 n SER 2 Cb 0.00 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.03 2dk1 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk1 s SER 3 N -5.90 6.18 0.00 -3.46 0.15 -1.26 -4.54 113.70 104.87 2dk1 s SER 3 Ca -0.08 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.52 2dk1 s SER 3 Cb 0.02 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dk1 s SER 3 CO 0.11 -1.41 0.00 0.61 1.20 0.00 0.00 173.24 173.75 2dk1 n GLY 4 N 5.33 -1.38 2.86 9.45 0.00 -1.26 -5.15 105.19 115.04 2dk1 n GLY 4 Ca -0.04 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 0.85 -0.07 1.61 0.15 -1.26 -4.99 113.70 109.98 2dk1 s SER 5 Ca 0.00 0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.88 2dk1 s SER 5 Cb 0.00 0.57 -0.12 0.00 -1.71 0.00 0.00 66.02 64.76 2dk1 s SER 5 CO 0.00 -0.29 0.08 -1.20 1.20 0.00 0.00 173.24 173.03 2dk1 n SER 6 N 5.34 2.71 -4.87 5.45 7.64 -1.26 -5.02 113.62 123.61 2dk1 n SER 6 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 2dk1 n SER 6 Cb 0.50 0.91 0.01 0.00 -1.01 0.00 0.00 64.21 64.61 2dk1 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk1 s GLY 7 N -3.89 1.69 -0.29 0.23 0.00 -1.26 -5.06 107.32 98.73 2dk1 s GLY 7 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 2dk1 s GLY 7 CO 0.39 0.18 0.08 0.50 0.00 0.00 0.00 173.10 174.25 2dk1 s ARG 8 N -5.06 0.74 0.19 2.90 1.81 -1.26 -4.98 118.95 113.29 2dk1 s ARG 8 Ca 0.55 -0.98 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 2dk1 s ARG 8 Cb -0.11 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.33 2dk1 s ARG 8 CO 0.52 -0.93 0.07 -1.58 -0.68 0.00 0.00 175.30 172.70 2dk1 s TRP 9 N 1.64 1.18 -0.10 -0.53 0.52 -1.26 -3.18 118.94 117.21 2dk1 s TRP 9 Ca 0.08 -1.21 -0.12 0.00 0.02 0.00 0.00 56.10 54.86 2dk1 s TRP 9 Cb -0.17 -0.65 0.03 0.00 -1.15 0.00 0.00 33.47 31.53 2dk1 s TRP 9 CO -0.22 -0.44 0.33 0.14 0.02 0.00 0.00 176.95 176.78 2dk1 s VAL 10 N -3.92 0.01 -0.14 4.03 -7.23 -0.85 -4.91 120.40 107.38 2dk1 s VAL 10 Ca 0.31 -0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.21 2dk1 s VAL 10 Cb 0.07 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 2dk1 s VAL 10 CO 0.08 -0.05 0.47 -0.70 -0.31 0.00 0.00 175.10 174.59 2dk1 s GLU 11 N -0.12 4.29 0.00 4.82 2.12 -1.26 -1.06 118.70 127.50 2dk1 s GLU 11 Ca -0.03 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.71 2dk1 s GLU 11 Cb -0.03 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.89 2dk1 s GLU 11 CO 0.01 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2dk1 n GLY 12 N 3.46 5.61 3.24 -1.50 0.00 0.19 -4.99 105.19 111.19 2dk1 n GLY 12 Ca -0.07 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 2.34 0.09 0.00 -0.61 -1.09 -1.26 -3.33 121.20 117.34 2dk1 s ILE 13 Ca 0.00 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2dk1 s ILE 13 Cb 0.00 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.89 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 0.48 0.00 0.00 2.92 -2.24 -0.38 -4.85 114.28 110.22 2dk1 n THR 14 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dk1 n THR 14 Cb 0.60 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2dk1 n THR 14 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dk1 n SER 15 N -1.57 0.00 -0.35 3.42 7.64 -1.26 -2.99 113.62 118.51 2dk1 n SER 15 Ca 0.00 0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 2dk1 n SER 15 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.04 -0.36 0.00 1.43 2.13 -1.26 -4.74 120.64 117.79 2dk1 n GLU 16 Ca 0.00 1.28 0.00 0.00 0.66 0.00 0.00 57.16 59.10 2dk1 n GLU 16 Cb 0.00 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dk1 n GLY 17 N -1.21 0.00 3.80 8.31 0.00 -1.16 -5.15 105.19 109.78 2dk1 n GLY 17 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 3.59 -0.60 1.61 1.51 -1.26 -4.77 117.35 117.42 2dk1 s TYR 18 Ca 0.00 0.75 -0.27 0.00 -1.01 0.00 0.00 57.07 56.53 2dk1 s TYR 18 Cb 0.00 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2dk1 s TYR 18 CO 0.00 0.48 1.53 -1.01 -1.11 0.00 0.00 175.55 175.43 2dk1 s HIS 19 N -0.37 2.08 0.26 2.71 3.76 -1.26 -1.24 115.29 121.24 2dk1 s HIS 19 Ca 0.19 0.45 0.10 0.00 -0.15 0.00 0.00 55.06 55.65 2dk1 s HIS 19 Cb -0.14 -4.35 -0.04 0.00 1.11 0.00 0.00 32.58 29.16 2dk1 s HIS 19 CO 0.08 -2.14 -0.05 1.52 -0.85 0.00 0.00 174.74 173.30 2dk1 s TYR 20 N 6.88 2.62 -0.12 1.40 1.13 -1.21 -4.92 117.35 123.13 2dk1 s TYR 20 Ca 0.54 -0.24 -0.01 0.00 -1.41 0.00 0.00 57.07 55.95 2dk1 s TYR 20 Cb -0.11 -1.16 -0.02 0.00 -1.10 0.00 0.00 41.96 39.56 2dk1 s TYR 20 CO 0.22 0.63 -0.10 0.71 -2.51 0.00 0.00 175.55 174.51 2dk1 s TYR 21 N -2.32 2.88 0.34 -3.49 2.02 -1.15 -0.64 117.35 114.99 2dk1 s TYR 21 Ca 0.31 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2dk1 s TYR 21 Cb -0.06 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2dk1 s TYR 21 CO 0.19 -0.02 0.23 -0.47 -1.57 0.00 0.00 175.55 173.90 2dk1 s TYR 22 N 0.02 2.81 -0.12 2.71 5.04 -0.22 -2.54 117.35 125.06 2dk1 s TYR 22 Ca -0.02 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.30 2dk1 s TYR 22 Cb -0.14 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.44 2dk1 s TYR 22 CO 0.04 0.25 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.76 2dk1 s ASP 23 N -3.93 3.01 -0.01 4.32 1.01 0.98 -2.01 116.67 120.04 2dk1 s ASP 23 Ca 0.40 -0.56 0.15 0.00 0.71 0.00 0.00 52.55 53.24 2dk1 s ASP 23 Cb -0.04 -1.39 -0.20 0.00 1.01 0.00 0.00 42.92 42.31 2dk1 s ASP 23 CO 0.25 0.11 0.69 0.00 0.21 0.00 0.00 175.17 176.43 2dk1 n LEU 24 N 3.81 0.81 -0.10 1.23 -0.00 -1.19 -2.52 117.00 119.04 2dk1 n LEU 24 Ca -0.20 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 -0.02 0.00 -0.00 0.00 0.00 43.42 44.07 2dk1 n LEU 24 CO 0.27 0.29 0.43 -0.38 -0.00 0.00 0.00 177.39 178.00 2dk1 n ILE 25 N -2.96 -0.16 0.00 1.47 -0.00 -1.26 -4.17 119.36 112.29 2dk1 n ILE 25 Ca -0.15 1.51 0.00 0.00 -0.00 0.00 0.00 62.75 64.11 2dk1 n ILE 25 Cb 0.97 -1.95 0.00 0.00 -0.00 0.00 0.00 39.64 38.65 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 0.43 4.00 0.23 0.00 -1.05 -5.10 105.19 106.91 2dk1 n GLY 27 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 4.28 -0.03 4.61 0.00 -1.17 -4.86 121.76 124.59 2dk1 s ALA 28 Ca 0.00 -1.58 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 2dk1 s ALA 28 Cb 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.35 2dk1 s ALA 28 CO 0.00 -0.54 0.36 -1.54 0.00 0.00 0.00 175.76 174.04 2dk1 s SER 29 N -4.42 -0.27 -0.10 0.00 1.04 -1.26 -0.01 113.70 108.68 2dk1 s SER 29 Ca 0.57 0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 2dk1 s SER 29 Cb -0.10 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.51 2dk1 s SER 29 CO 0.36 -0.43 0.82 -1.58 0.98 0.00 0.00 173.24 173.38 2dk1 s GLN 30 N -1.15 0.86 -0.11 4.02 0.74 -1.05 -5.03 119.66 117.93 2dk1 s GLN 30 Ca -0.12 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 55.41 2dk1 s GLN 30 Cb -0.04 0.40 -0.09 0.00 1.10 0.00 0.00 33.01 34.38 2dk1 s GLN 30 CO 0.05 -0.26 0.30 -1.49 -0.55 0.00 0.00 175.29 173.33 2dk1 h TRP 31 N 2.85 -0.01 -2.95 1.67 -0.00 -1.95 -3.04 115.95 112.51 2dk1 h TRP 31 Ca -0.23 -0.00 -0.49 0.00 -0.00 0.00 0.00 58.89 58.17 2dk1 h TRP 31 Cb 1.15 0.00 0.22 0.00 -0.00 0.00 0.00 29.16 30.54 2dk1 h TRP 31 CO 0.34 0.34 -0.69 0.39 -0.00 0.00 0.00 178.44 178.83 2dk1 n GLU 32 N -4.73 -1.15 -3.34 0.49 1.02 -1.26 -4.61 120.64 107.05 2dk1 n GLU 32 Ca -0.04 -0.31 -0.38 0.00 -0.02 0.00 0.00 57.16 56.42 2dk1 n GLU 32 Cb 0.18 -1.86 -0.06 0.00 -0.02 0.00 0.00 31.44 29.68 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 -3.70 4.29 0.40 3.49 2.20 -1.26 -4.84 119.74 120.32 2dk1 s LYS 33 Ca 0.58 0.44 -0.24 0.00 -0.36 0.00 0.00 55.97 56.39 2dk1 s LYS 33 Cb -0.18 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 2dk1 s LYS 33 CO 0.66 0.23 1.05 -1.25 -0.36 0.00 0.00 175.35 175.69 2dk1 s PRO 34 N 0.38 4.15 -0.77 4.03 0.04 -1.26 -4.89 135.00 136.68 2dk1 s PRO 34 Ca 0.25 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 2dk1 s PRO 34 Cb -0.15 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 2dk1 s PRO 34 CO 0.11 -0.16 1.94 -0.85 0.04 0.00 0.00 177.00 178.07 2dk1 n GLU 35 N -0.08 1.76 0.00 4.56 0.28 -1.26 -2.49 120.64 123.41 2dk1 n GLU 35 Ca 0.05 -1.31 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 2dk1 n GLU 35 Cb 0.49 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 30.99 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 3.80 0.00 3.84 -1.84 0.00 -1.26 -4.95 105.19 104.79 2dk1 n GLY 36 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 2dk1 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dk1 s PHE 37 N 0.00 2.48 0.00 1.61 5.36 -1.04 -4.47 117.98 121.92 2dk1 s PHE 37 Ca 0.00 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 2dk1 s PHE 37 Cb 0.00 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 2dk1 s PHE 37 CO 0.00 -0.11 0.00 1.04 -1.46 0.00 0.00 175.22 174.69 2dk1 n GLN 38 N -1.50 0.00 0.00 10.12 6.02 -1.26 -5.09 117.38 125.67 2dk1 n GLN 38 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2dk1 n GLN 38 Cb 0.63 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.86 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 -1.10 -1.57 3.49 1.08 0.00 -1.26 -4.91 105.19 100.92 2dk1 n GLY 39 Ca 0.00 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 2dk1 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dk1 s ASP 40 N -4.00 5.41 0.16 1.61 -1.08 -1.26 -4.85 116.67 112.67 2dk1 s ASP 40 Ca 0.00 -0.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 2dk1 s ASP 40 Cb 0.00 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 2dk1 s ASP 40 CO 0.00 -0.03 0.00 -0.11 0.52 0.00 0.00 175.17 175.55 2dk1 n LEU 41 N 4.93 -0.96 -4.25 -1.34 7.94 -1.26 -5.14 117.00 116.92 2dk1 n LEU 41 Ca -0.16 0.30 -0.18 0.00 -1.11 0.00 0.00 56.01 54.87 2dk1 n LEU 41 Cb 0.52 1.08 -0.11 0.00 0.53 0.00 0.00 43.42 45.44 2dk1 n LEU 41 CO 0.32 -0.39 -0.45 -0.75 -1.11 0.00 0.00 177.39 175.01 2dk1 s LYS 42 N -1.41 1.04 -0.48 1.96 2.47 -1.26 -4.90 119.74 117.17 2dk1 s LYS 42 Ca 0.00 -1.27 -0.01 0.00 -1.56 0.00 0.00 55.97 53.13 2dk1 s LYS 42 Cb 0.00 -0.90 0.00 0.00 -1.46 0.00 0.00 37.83 35.47 2dk1 s LYS 42 CO 0.00 0.17 0.46 1.63 0.16 0.00 0.00 175.35 177.77 2dk1 n LYS 43 N 0.44 -0.92 -4.55 4.03 5.02 -1.26 -5.05 118.16 115.87 2dk1 n LYS 43 Ca -0.15 1.19 -0.22 0.00 -2.02 0.00 0.00 58.31 57.11 2dk1 n LYS 43 Cb 0.57 -4.33 -0.16 0.00 -0.02 0.00 0.00 35.03 31.10 2dk1 n LYS 43 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dk1 s THR 44 N -2.94 1.00 0.00 -0.18 2.01 -1.26 -5.04 115.64 109.23 2dk1 s THR 44 Ca 0.01 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2dk1 s THR 44 Cb -0.00 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 2dk1 s THR 44 CO 0.50 0.30 -0.11 -0.24 -0.69 0.00 0.00 174.62 174.38 2dk1 n SER 45 N 3.15 1.30 0.00 3.53 2.88 -1.26 -5.16 113.62 118.06 2dk1 n SER 45 Ca -0.17 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2dk1 n SER 45 Cb 0.54 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2dk1 n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk1 n GLY 46 N 2.81 -0.08 3.82 0.46 0.00 -1.26 -5.13 105.19 105.80 2dk1 n GLY 46 Ca -0.06 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 2.78 -0.40 1.61 0.04 -1.26 -5.03 135.00 130.74 2dk1 s PRO 47 Ca 0.00 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 2dk1 s PRO 47 Cb 0.00 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.67 2dk1 s PRO 47 CO 0.00 -1.19 0.18 -1.12 0.04 0.00 0.00 177.00 174.90 2dk1 s SER 48 N -3.82 5.18 -0.19 6.66 0.01 -1.26 -4.85 113.70 115.43 2dk1 s SER 48 Ca 0.59 -2.05 -0.00 0.00 1.31 0.00 0.00 55.95 55.80 2dk1 s SER 48 Cb -0.14 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2dk1 s SER 48 CO 0.55 -0.52 0.00 -0.24 0.41 0.00 0.00 173.24 173.45 2dk1 n SER 49 N 4.54 -7.36 0.00 2.44 2.88 -1.26 -5.28 113.62 109.58 2dk1 n SER 49 Ca -0.01 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2dk1 n SER 49 Cb 0.41 -3.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42