#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s24 s TYR 2 N 0.00 0.03 0.70 0.00 2.02 -1.26 -5.05 117.35 113.79 1s24 s TYR 2 Ca 0.00 0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.66 1s24 s TYR 2 Cb 0.00 -0.13 0.03 0.00 -0.40 0.00 0.00 41.96 41.46 1s24 s TYR 2 CO 0.00 -0.05 1.06 -0.51 -1.57 0.00 0.00 175.55 174.49 1s24 s LEU 3 N 0.54 2.90 0.06 -1.29 1.02 -1.26 -4.78 118.68 115.87 1s24 s LEU 3 Ca -0.05 0.93 0.03 0.00 0.02 0.00 0.00 54.13 55.07 1s24 s LEU 3 Cb -0.07 -3.67 -0.03 0.00 0.02 0.00 0.00 46.19 42.44 1s24 s LEU 3 CO -0.01 -1.40 -0.09 -0.54 0.02 0.00 0.00 176.35 174.32 1s24 s LYS 4 N -5.31 0.66 -0.06 1.70 1.02 -1.26 -2.21 119.74 114.27 1s24 s LYS 4 Ca 0.58 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.68 1s24 s LYS 4 Cb -0.11 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1s24 s LYS 4 CO 0.49 0.08 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.37 1s24 s TRP 5 N -1.65 0.94 -0.15 3.18 0.52 -0.81 -2.52 118.94 118.44 1s24 s TRP 5 Ca -0.05 -0.32 -0.07 0.00 0.02 0.00 0.00 56.10 55.69 1s24 s TRP 5 Cb -0.08 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.38 1s24 s TRP 5 CO 0.00 -0.26 0.08 -1.50 0.02 0.00 0.00 176.95 175.30 1s24 s ILE 6 N 1.12 5.01 -0.86 2.03 -1.16 0.38 0.63 121.20 128.34 1s24 s ILE 6 Ca -0.08 0.03 -0.25 0.00 -0.51 0.00 0.00 60.65 59.85 1s24 s ILE 6 Cb -0.14 -3.22 0.04 0.00 0.61 0.00 0.00 42.46 39.75 1s24 s ILE 6 CO -0.01 0.53 1.36 0.00 -2.81 0.00 0.00 174.94 174.00 1s24 h ILE 8 N 6.37 0.01 0.00 0.00 2.10 -1.32 0.28 117.51 124.94 1s24 h ILE 8 Ca -0.07 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.84 1s24 h ILE 8 Cb 1.03 0.76 -0.00 0.00 -1.09 0.00 0.00 36.82 37.52 1s24 h ILE 8 CO 1.34 0.00 -0.14 0.74 -1.08 0.00 0.00 178.15 179.02 1s24 h THR 9 N 0.00 0.90 0.00 2.19 2.02 -1.88 -3.37 112.91 112.76 1s24 h THR 9 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1s24 h THR 9 Cb 0.48 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1s24 h THR 9 CO -0.00 0.14 -0.30 0.00 0.37 0.00 0.00 175.52 175.73 1s24 n GLY 11 N 1.74 1.40 3.41 0.00 0.00 0.81 -5.07 105.19 107.49 1s24 n GLY 11 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1s24 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s24 s HIS 12 N -2.00 2.90 0.15 1.61 5.65 -1.23 -4.90 115.29 117.47 1s24 s HIS 12 Ca 0.00 -0.54 -0.11 0.00 0.25 0.00 0.00 55.06 54.65 1s24 s HIS 12 Cb 0.00 -1.90 -0.07 0.00 -1.18 0.00 0.00 32.58 29.43 1s24 s HIS 12 CO 0.00 -0.17 0.51 0.42 -0.65 0.00 0.00 174.74 174.85 1s24 s ILE 13 N 0.43 4.95 -0.16 0.89 1.01 -1.26 -0.16 121.20 126.90 1s24 s ILE 13 Ca -0.07 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 1s24 s ILE 13 Cb -0.15 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1s24 s ILE 13 CO 0.04 0.15 -0.03 -0.47 0.00 0.00 0.00 174.94 174.64 1s24 s TYR 14 N -1.56 3.04 -0.41 3.97 5.04 0.20 -4.91 117.35 122.73 1s24 s TYR 14 Ca 0.40 -0.30 -0.10 0.00 -2.44 0.00 0.00 57.07 54.62 1s24 s TYR 14 Cb -0.14 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.25 1s24 s TYR 14 CO 0.20 -0.05 0.25 0.34 -1.34 0.00 0.00 175.55 174.95 1s24 s ASP 15 N 0.45 5.72 0.61 4.32 -1.08 -1.26 -1.93 116.67 123.50 1s24 s ASP 15 Ca -0.03 -1.31 0.27 0.00 -0.52 0.00 0.00 52.55 50.96 1s24 s ASP 15 Cb -0.14 -2.02 1.35 0.00 -1.46 0.00 0.00 42.92 40.65 1s24 s ASP 15 CO 0.03 -0.50 1.76 -0.33 0.52 0.00 0.00 175.17 176.65 1s24 h GLU 16 N 8.45 0.00 -0.53 4.34 5.08 -1.67 0.89 114.58 131.15 1s24 h GLU 16 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1s24 h GLU 16 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1s24 h GLU 16 CO 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 1s24 n ALA 17 N -2.22 2.71 -2.67 3.43 0.00 -1.26 -1.30 120.51 119.20 1s24 n ALA 17 Ca 0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 53.44 52.85 1s24 n ALA 17 Cb 0.78 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 19.31 1s24 n ALA 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s24 n LEU 18 N 0.32 -1.35 0.00 0.00 7.94 0.31 -4.28 117.00 119.94 1s24 n LEU 18 Ca 0.11 -1.87 0.00 0.00 -1.11 0.00 0.00 56.01 53.13 1s24 n LEU 18 Cb 0.41 0.66 0.00 0.00 0.53 0.00 0.00 43.42 45.02 1s24 n LEU 18 CO 0.10 1.60 0.00 0.61 -1.11 0.00 0.00 177.39 178.59 1s24 n GLY 19 N 1.31 -2.74 3.99 -3.96 0.00 -1.15 -4.45 105.19 98.18 1s24 n GLY 19 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1s24 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s24 s ASP 20 N -1.83 5.96 -0.02 1.61 1.01 -1.25 -4.97 116.67 117.18 1s24 s ASP 20 Ca 0.00 -0.19 0.14 0.00 0.71 0.00 0.00 52.55 53.21 1s24 s ASP 20 Cb 0.00 -1.22 -0.22 0.00 1.01 0.00 0.00 42.92 42.49 1s24 s ASP 20 CO 0.00 -0.45 0.31 -0.62 0.21 0.00 0.00 175.17 174.62 1s24 n GLU 21 N -1.66 0.43 0.11 8.23 1.02 -1.26 -1.97 120.64 125.54 1s24 n GLU 21 Ca 0.00 -0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 56.84 1s24 n GLU 21 Cb 0.58 -1.33 -0.13 0.00 -0.02 0.00 0.00 31.44 30.53 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s24 h ALA 22 N 1.28 0.07 0.00 0.62 0.00 -1.96 -3.24 119.26 116.03 1s24 h ALA 22 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1s24 h ALA 22 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1s24 h ALA 22 CO 0.00 0.90 -0.09 -1.91 0.00 0.00 0.00 179.25 178.15 1s24 n GLU 23 N -3.59 0.18 -0.72 0.00 4.07 -1.26 -4.90 120.64 114.42 1s24 n GLU 23 Ca -0.10 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1s24 n GLU 23 Cb 1.02 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 30.70 1s24 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s24 n GLY 24 N 1.37 1.20 3.54 8.31 0.00 -1.22 -5.00 105.19 113.39 1s24 n GLY 24 Ca 0.06 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1s24 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s24 s PHE 25 N -2.00 2.92 0.35 1.61 0.40 -0.83 -4.98 117.98 115.45 1s24 s PHE 25 Ca 0.00 -1.57 -0.26 0.00 -0.60 0.00 0.00 56.93 54.50 1s24 s PHE 25 Cb 0.00 -4.61 -0.13 0.00 0.51 0.00 0.00 43.02 38.79 1s24 s PHE 25 CO 0.00 -1.71 0.89 -2.37 0.70 0.00 0.00 175.22 172.73 1s24 n THR 26 N 6.02 2.10 -1.48 0.64 5.66 -1.26 -3.90 114.28 122.05 1s24 n THR 26 Ca 0.41 -0.50 -0.49 0.00 -3.05 0.00 0.00 64.05 60.43 1s24 n THR 26 Cb 0.46 -0.91 -0.06 0.00 -1.55 0.00 0.00 70.33 68.27 1s24 n THR 26 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1s24 n PRO 27 N 0.52 1.26 0.00 1.09 -0.02 -1.26 -1.81 135.00 134.78 1s24 n PRO 27 Ca 0.10 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1s24 n PRO 27 Cb 0.35 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1s24 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s24 n GLY 28 N 6.37 1.14 3.63 -1.23 0.00 -0.42 -4.83 105.19 109.85 1s24 n GLY 28 Ca 0.39 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.92 1s24 n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s24 n THR 29 N 0.00 0.01 -4.44 2.61 -1.04 -0.75 -4.78 114.28 105.90 1s24 n THR 29 Ca 0.00 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1s24 n THR 29 Cb 0.00 -1.17 -0.11 0.00 -1.82 0.00 0.00 70.33 67.23 1s24 n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1s24 s ARG 30 N 0.78 3.34 0.20 -2.82 0.52 -1.26 -4.47 118.95 115.23 1s24 s ARG 30 Ca 0.82 -0.50 -0.17 0.00 -0.52 0.00 0.00 55.73 55.36 1s24 s ARG 30 Cb -0.83 -2.82 0.18 0.00 0.52 0.00 0.00 34.95 31.99 1s24 s ARG 30 CO 0.43 0.43 1.61 0.35 0.02 0.00 0.00 175.30 178.14 1s24 h PHE 31 N 6.07 -0.59 -0.96 -0.53 3.57 -1.92 0.39 116.94 122.96 1s24 h PHE 31 Ca -0.39 0.06 0.20 0.00 3.53 0.00 0.00 57.97 61.37 1s24 h PHE 31 Cb 1.19 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 40.19 1s24 h PHE 31 CO 0.56 -0.32 0.61 1.49 -2.23 0.00 0.00 178.31 178.42 1s24 h GLU 32 N -0.09 0.55 -0.18 1.11 4.81 -2.02 1.24 114.58 120.00 1s24 h GLU 32 Ca 0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1s24 h GLU 32 Cb 0.50 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1s24 h GLU 32 CO -0.64 0.36 0.00 -3.47 -0.73 0.00 0.00 179.01 174.53 1s24 n ASP 33 N -4.62 1.07 -3.74 1.04 2.03 0.13 -4.39 116.55 108.07 1s24 n ASP 33 Ca 0.21 -1.91 -0.34 0.00 0.52 0.00 0.00 54.79 53.27 1s24 n ASP 33 Cb 0.66 -0.12 -0.05 0.00 -0.72 0.00 0.00 41.12 40.89 1s24 n ASP 33 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1s24 n ILE 34 N 0.05 3.45 0.25 5.18 5.41 0.43 -4.82 119.36 129.31 1s24 n ILE 34 Ca 0.09 -5.44 0.14 0.00 1.00 0.00 0.00 62.75 58.54 1s24 n ILE 34 Cb 0.18 -2.14 0.56 0.00 -0.71 0.00 0.00 39.64 37.53 1s24 n ILE 34 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1s24 h PRO 35 N 4.92 0.00 0.00 0.38 0.13 -1.77 -3.45 132.00 132.22 1s24 h PRO 35 Ca 0.19 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1s24 h PRO 35 Cb 0.67 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.84 1s24 h PRO 35 CO 1.00 0.09 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.58 1s24 n ASP 36 N -3.21 -1.98 -2.53 1.44 8.00 -1.26 -4.85 116.55 112.16 1s24 n ASP 36 Ca 0.01 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.01 1s24 n ASP 36 Cb 0.37 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 41.35 1s24 n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s24 n ASP 37 N -2.59 7.41 -4.60 -2.24 8.00 -1.26 -5.02 116.55 116.25 1s24 n ASP 37 Ca 0.02 -3.80 -0.41 0.00 0.71 0.00 0.00 54.79 51.31 1s24 n ASP 37 Cb 0.10 -0.96 0.02 0.00 -0.02 0.00 0.00 41.12 40.25 1s24 n ASP 37 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1s24 n TRP 38 N -0.76 0.97 -3.71 1.24 -0.00 -1.26 -4.95 117.44 108.97 1s24 n TRP 38 Ca 0.58 0.54 0.00 0.00 -0.00 0.00 0.00 57.50 58.62 1s24 n TRP 38 Cb 0.52 -2.19 0.00 0.00 -0.00 0.00 0.00 31.31 29.64 1s24 n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s24 h PRO 41 N 3.75 0.00 0.00 0.00 0.13 -2.00 -2.94 132.00 130.94 1s24 h PRO 41 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 1s24 h PRO 41 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1s24 h PRO 41 CO 0.65 0.00 -1.79 -0.25 -0.23 0.00 0.00 178.00 176.38 1s24 n ASP 42 N -2.63 2.05 0.00 1.44 9.92 -1.26 -4.87 116.55 121.20 1s24 n ASP 42 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1s24 n ASP 42 Cb 0.44 0.91 0.00 0.00 -0.64 0.00 0.00 41.12 41.83 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s24 n GLY 44 N 1.81 2.00 1.54 0.00 0.00 -1.11 -4.96 105.19 104.48 1s24 n GLY 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1s24 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s24 n ALA 45 N -0.06 0.45 -2.73 4.61 0.00 -1.26 -4.80 120.51 116.72 1s24 n ALA 45 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.57 1s24 n ALA 45 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.72 1s24 n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s24 n THR 46 N -1.38 0.00 0.24 0.00 -2.24 -1.26 -3.29 114.28 106.35 1s24 n THR 46 Ca 0.05 -0.16 0.15 0.00 -2.27 0.00 0.00 64.05 61.81 1s24 n THR 46 Cb 0.24 -1.10 0.78 0.00 -2.10 0.00 0.00 70.33 68.15 1s24 n THR 46 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s24 h LYS 47 N 0.00 0.00 -0.14 -0.78 3.64 -1.93 -2.31 116.57 115.05 1s24 h LYS 47 Ca -0.03 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1s24 h LYS 47 Cb 0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1s24 h LYS 47 CO 0.03 0.00 0.12 0.93 -2.27 0.00 0.00 179.45 178.26 1s24 h GLU 48 N 0.00 0.00 0.00 1.90 5.08 -1.96 0.15 114.58 119.75 1s24 h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s24 h GLU 48 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1s24 h GLU 48 CO 0.00 0.00 -0.53 -0.44 -1.00 0.00 0.00 179.01 177.04 1s24 h ASP 49 N 0.00 0.00 -3.02 1.42 5.19 -1.78 -3.46 116.42 114.78 1s24 h ASP 49 Ca 0.07 -0.09 -0.61 0.00 -0.62 0.00 0.00 57.03 55.77 1s24 h ASP 49 Cb 0.30 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 1s24 h ASP 49 CO -0.00 0.05 -0.25 -0.31 -3.12 0.00 0.00 179.24 175.61 1s24 s TYR 50 N -3.21 3.67 0.18 4.55 2.02 0.04 -0.87 117.35 123.72 1s24 s TYR 50 Ca 0.05 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.67 1s24 s TYR 50 Cb 0.11 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 1s24 s TYR 50 CO 0.71 0.58 -0.04 0.08 -1.57 0.00 0.00 175.55 175.32 1s24 s VAL 51 N -0.79 0.94 -0.22 0.71 1.01 -0.09 -4.91 120.40 117.05 1s24 s VAL 51 Ca 0.22 -2.02 -0.29 0.00 0.00 0.00 0.00 61.98 59.89 1s24 s VAL 51 Cb -0.16 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1s24 s VAL 51 CO 0.11 -0.54 1.35 -0.22 0.00 0.00 0.00 175.10 175.80 1s24 s LEU 52 N -3.20 4.02 -0.09 3.92 1.98 -1.26 -0.47 118.68 123.57 1s24 s LEU 52 Ca 0.22 1.51 -0.29 0.00 -2.89 0.00 0.00 54.13 52.67 1s24 s LEU 52 Cb 0.05 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.31 1s24 s LEU 52 CO 0.04 -0.97 1.74 -0.47 -1.89 0.00 0.00 176.35 174.79 1s24 s TYR 53 N 4.14 1.83 0.09 5.38 5.04 -1.05 -4.86 117.35 127.92 1s24 s TYR 53 Ca 0.59 0.20 0.06 0.00 -2.44 0.00 0.00 57.07 55.48 1s24 s TYR 53 Cb -0.21 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 38.08 1s24 s TYR 53 CO 0.21 -3.93 -0.08 -1.21 -1.34 0.00 0.00 175.55 169.20 1s24 s GLU 54 N 4.44 2.24 -0.51 4.97 0.41 -1.26 -4.89 118.70 124.10 1s24 s GLU 54 Ca 0.77 -0.96 -0.21 0.00 -0.41 0.00 0.00 54.97 54.17 1s24 s GLU 54 Cb -0.33 -2.36 0.05 0.00 -1.78 0.00 0.00 34.13 29.71 1s24 s GLU 54 CO 0.32 0.53 0.72 -1.21 -0.49 0.00 0.00 175.26 175.13 1s24 s GLU 55 N -2.09 3.21 0.00 1.61 0.41 -1.26 -5.23 118.70 115.35 1s24 s GLU 55 Ca 0.21 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 1s24 s GLU 55 Cb -0.11 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.18 1s24 s GLU 55 CO 0.13 -1.27 0.48 1.17 -0.49 0.00 0.00 175.26 175.29