#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 3.55 0.79 0.00 2.02 -1.26 -5.07 117.35 117.38 1s24 s TYR 2 Ca 0.00 0.75 -0.11 0.00 -0.37 0.00 0.00 57.07 57.33 1s24 s TYR 2 Cb 0.00 -2.33 0.06 0.00 -0.40 0.00 0.00 41.96 39.30 1s24 s TYR 2 CO 0.00 0.38 1.09 -0.51 -1.57 0.00 0.00 175.55 174.95 1s24 s LEU 3 N -0.06 2.64 -0.03 -1.29 1.02 -1.26 -4.84 118.68 114.86 1s24 s LEU 3 Ca 0.20 1.33 0.03 0.00 0.02 0.00 0.00 54.13 55.71 1s24 s LEU 3 Cb -0.14 -3.96 -0.00 0.00 0.02 0.00 0.00 46.19 42.11 1s24 s LEU 3 CO 0.07 -1.93 -0.12 -0.54 0.02 0.00 0.00 176.35 173.86 1s24 s LYS 4 N -5.15 1.17 0.42 1.70 1.02 -1.26 -2.99 119.74 114.65 1s24 s LYS 4 Ca 0.61 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.26 1s24 s LYS 4 Cb -0.14 -1.08 -0.06 0.00 -0.52 0.00 0.00 37.83 36.03 1s24 s LYS 4 CO 0.54 0.18 0.13 -1.58 -0.92 0.00 0.00 175.35 173.70 1s24 s TRP 5 N 0.05 2.52 -0.07 3.18 0.52 -0.93 -1.63 118.94 122.59 1s24 s TRP 5 Ca -0.02 -0.64 -0.05 0.00 0.02 0.00 0.00 56.10 55.42 1s24 s TRP 5 Cb -0.08 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1s24 s TRP 5 CO 0.01 0.25 0.16 -1.50 0.02 0.00 0.00 176.95 175.89 1s24 s ILE 6 N -2.65 -0.02 -0.83 2.03 1.10 -0.71 0.40 121.20 120.52 1s24 s ILE 6 Ca 0.38 0.06 -0.23 0.00 -0.51 0.00 0.00 60.65 60.35 1s24 s ILE 6 Cb 0.05 -0.25 0.07 0.00 0.15 0.00 0.00 42.46 42.49 1s24 s ILE 6 CO 0.20 0.03 1.20 0.00 -2.11 0.00 0.00 174.94 174.26 1s24 h ILE 8 N 6.17 0.18 0.00 0.00 2.10 -1.41 1.35 117.51 125.91 1s24 h ILE 8 Ca -0.06 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.78 1s24 h ILE 8 Cb 1.04 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 37.39 1s24 h ILE 8 CO 1.25 0.00 -0.51 0.74 -1.08 0.00 0.00 178.15 178.55 1s24 h THR 9 N 0.00 1.17 0.00 2.19 2.02 -1.89 -3.40 112.91 113.00 1s24 h THR 9 Ca 0.10 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1s24 h THR 9 Cb 0.91 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1s24 h THR 9 CO -0.00 0.50 -0.66 0.00 0.37 0.00 0.00 175.52 175.72 1s24 n GLY 11 N 2.71 1.84 3.77 0.00 0.00 0.42 -5.02 105.19 108.90 1s24 n GLY 11 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1s24 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s24 s HIS 12 N -2.00 3.50 -0.05 1.61 3.76 -1.26 -4.80 115.29 116.06 1s24 s HIS 12 Ca 0.00 0.56 -0.18 0.00 -0.15 0.00 0.00 55.06 55.29 1s24 s HIS 12 Cb 0.00 -2.21 -0.05 0.00 1.11 0.00 0.00 32.58 31.43 1s24 s HIS 12 CO 0.00 0.39 0.50 0.42 -0.85 0.00 0.00 174.74 175.20 1s24 s ILE 13 N -0.02 5.04 -0.19 0.60 1.01 -1.26 -1.28 121.20 125.09 1s24 s ILE 13 Ca 0.15 1.02 -0.16 0.00 0.00 0.00 0.00 60.65 61.66 1s24 s ILE 13 Cb -0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1s24 s ILE 13 CO 0.03 0.43 0.40 -0.47 0.00 0.00 0.00 174.94 175.33 1s24 s TYR 14 N -0.14 3.39 -0.54 3.97 5.04 0.16 -4.91 117.35 124.32 1s24 s TYR 14 Ca 0.27 0.63 -0.18 0.00 -2.44 0.00 0.00 57.07 55.35 1s24 s TYR 14 Cb -0.17 -2.51 0.09 0.00 0.35 0.00 0.00 41.96 39.72 1s24 s TYR 14 CO 0.13 0.02 0.61 0.34 -1.34 0.00 0.00 175.55 175.32 1s24 s ASP 15 N 0.98 6.19 0.52 4.32 2.15 -1.26 -2.18 116.67 127.39 1s24 s ASP 15 Ca 0.19 -1.28 0.32 0.00 0.43 0.00 0.00 52.55 52.21 1s24 s ASP 15 Cb -0.15 -2.27 1.46 0.00 -0.30 0.00 0.00 42.92 41.66 1s24 s ASP 15 CO 0.08 -0.95 1.83 -0.33 -0.17 0.00 0.00 175.17 175.63 1s24 h GLU 16 N 9.03 0.06 -0.67 4.34 5.08 -1.74 1.08 114.58 131.75 1s24 h GLU 16 Ca -0.29 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1s24 h GLU 16 Cb 1.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1s24 h GLU 16 CO 1.02 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 179.07 1s24 n ALA 17 N -2.71 3.10 -2.67 3.43 0.00 -1.26 -2.56 120.51 117.85 1s24 n ALA 17 Ca 0.23 -1.04 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 1s24 n ALA 17 Cb 1.09 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 0.47 -1.29 0.00 0.00 0.00 0.37 -4.60 117.00 111.96 1s24 n LEU 18 Ca 0.16 -1.75 0.00 0.00 0.00 0.00 0.00 56.01 54.42 1s24 n LEU 18 Cb 0.70 0.55 0.00 0.00 0.00 0.00 0.00 43.42 44.67 1s24 n LEU 18 CO 0.17 1.57 0.00 0.61 0.00 0.00 0.00 177.39 179.74 1s24 n GLY 19 N 1.54 -2.56 3.74 -3.96 0.00 -1.01 -4.24 105.19 98.71 1s24 n GLY 19 Ca 0.02 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1s24 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s24 s ASP 20 N -1.81 4.50 -0.16 1.61 2.15 -1.26 -4.89 116.67 116.81 1s24 s ASP 20 Ca 0.00 -1.00 -0.18 0.00 0.43 0.00 0.00 52.55 51.79 1s24 s ASP 20 Cb 0.00 -0.53 -0.23 0.00 -0.30 0.00 0.00 42.92 41.86 1s24 s ASP 20 CO 0.00 -0.50 0.39 -0.33 -0.17 0.00 0.00 175.17 174.56 1s24 h GLU 21 N 1.43 0.11 -0.74 4.34 5.08 -1.95 -2.34 114.58 120.51 1s24 h GLU 21 Ca -0.43 -0.19 0.11 0.00 -1.00 0.00 0.00 59.36 57.85 1s24 h GLU 21 Cb 1.25 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.50 1s24 h GLU 21 CO 0.68 1.09 0.36 0.00 -1.00 0.00 0.00 179.01 180.14 1s24 h ALA 22 N -0.23 1.05 -0.01 3.43 0.00 -2.01 0.14 119.26 121.63 1s24 h ALA 22 Ca -0.31 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1s24 h ALA 22 Cb 1.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1s24 h ALA 22 CO -0.07 -0.07 -0.54 0.93 0.00 0.00 0.00 179.25 179.50 1s24 h GLU 23 N 0.59 0.02 0.00 0.00 5.08 -2.00 -3.47 114.58 114.80 1s24 h GLU 23 Ca 0.38 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1s24 h GLU 23 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1s24 h GLU 23 CO -0.30 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 1s24 n GLY 24 N 0.04 1.07 3.57 -3.84 0.00 0.03 -4.96 105.19 101.11 1s24 n GLY 24 Ca -0.01 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 1.87 0.45 1.61 0.08 -0.89 -4.92 117.98 114.18 1s24 s PHE 25 Ca 0.00 0.62 -0.22 0.00 0.12 0.00 0.00 56.93 57.45 1s24 s PHE 25 Cb 0.00 -3.97 -0.11 0.00 -0.57 0.00 0.00 43.02 38.37 1s24 s PHE 25 CO 0.00 -1.32 0.74 -2.37 -0.10 0.00 0.00 175.22 172.17 1s24 n THR 26 N 7.90 2.21 -1.51 0.64 5.66 -1.26 -4.06 114.28 123.86 1s24 n THR 26 Ca 0.43 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 60.50 1s24 n THR 26 Cb 0.47 -0.81 -0.06 0.00 -1.55 0.00 0.00 70.33 68.37 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 0.24 1.05 0.00 1.09 -0.02 -1.26 -3.40 135.00 132.70 1s24 n PRO 27 Ca 0.11 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1s24 n PRO 27 Cb 0.41 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 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 6.26 0.58 3.05 -1.23 0.00 -1.26 -5.04 105.19 107.55 1s24 n GLY 28 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 1s24 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s24 s THR 29 N -0.92 1.40 0.10 2.61 2.01 -1.06 -5.06 115.64 114.72 1s24 s THR 29 Ca 0.00 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.50 1s24 s THR 29 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1s24 s THR 29 CO 0.00 0.42 -0.23 0.00 -0.69 0.00 0.00 174.62 174.12 1s24 s ARG 30 N 0.89 1.65 0.31 4.92 1.70 -1.26 -4.29 118.95 122.88 1s24 s ARG 30 Ca -0.09 -1.22 0.09 0.00 -0.47 0.00 0.00 55.73 54.03 1s24 s ARG 30 Cb -0.15 -2.01 0.87 0.00 -0.57 0.00 0.00 34.95 33.09 1s24 s ARG 30 CO 0.00 0.48 1.71 0.35 -1.08 0.00 0.00 175.30 176.76 1s24 h PHE 31 N 4.03 0.90 -0.29 5.89 3.57 -1.93 0.69 116.94 129.80 1s24 h PHE 31 Ca -0.50 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.06 1s24 h PHE 31 Cb 1.16 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1s24 h PHE 31 CO 0.58 -0.00 0.20 1.49 -2.23 0.00 0.00 178.31 178.34 1s24 h GLU 32 N 0.49 0.31 -0.60 1.11 4.81 -2.02 0.26 114.58 118.94 1s24 h GLU 32 Ca 0.64 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1s24 h GLU 32 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1s24 h GLU 32 CO -0.51 0.20 0.00 -3.47 -0.73 0.00 0.00 179.01 174.50 1s24 n ASP 33 N -4.49 3.51 -3.34 1.04 2.03 0.23 -4.49 116.55 111.03 1s24 n ASP 33 Ca 0.02 -2.19 -0.32 0.00 0.52 0.00 0.00 54.79 52.82 1s24 n ASP 33 Cb 0.13 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 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 1.00 3.72 0.29 5.18 5.41 0.08 -4.81 119.36 130.23 1s24 n ILE 34 Ca 0.20 -5.60 0.18 0.00 1.00 0.00 0.00 62.75 58.52 1s24 n ILE 34 Cb 0.62 -1.72 0.85 0.00 -0.71 0.00 0.00 39.64 38.68 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 3.86 0.00 0.00 0.38 0.13 -1.79 -3.44 132.00 131.15 1s24 h PRO 35 Ca 0.23 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.21 1s24 h PRO 35 Cb 0.53 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.75 1s24 h PRO 35 CO 0.96 0.04 -0.07 -3.47 -0.23 0.00 0.00 178.00 175.22 1s24 n ASP 36 N -3.22 -2.65 -2.26 1.44 2.03 -1.26 -4.82 116.55 105.82 1s24 n ASP 36 Ca -0.01 -0.36 -0.28 0.00 0.52 0.00 0.00 54.79 54.66 1s24 n ASP 36 Cb 0.23 -0.49 0.05 0.00 -0.72 0.00 0.00 41.12 40.18 1s24 n ASP 36 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1s24 n ASP 37 N -2.73 7.12 -4.59 1.67 9.92 -1.26 -5.00 116.55 121.68 1s24 n ASP 37 Ca 0.06 -3.47 -0.42 0.00 -0.53 0.00 0.00 54.79 50.42 1s24 n ASP 37 Cb 0.24 -1.05 0.01 0.00 -0.64 0.00 0.00 41.12 39.69 1s24 n ASP 37 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1s24 n TRP 38 N -0.23 1.04 -4.33 1.24 -0.00 -1.26 -5.00 117.44 108.90 1s24 n TRP 38 Ca 0.49 0.58 -0.18 0.00 -0.00 0.00 0.00 57.50 58.39 1s24 n TRP 38 Cb 0.57 -2.21 -0.10 0.00 -0.00 0.00 0.00 31.31 29.58 1s24 n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s24 n PRO 41 N -1.49 0.16 -1.65 0.00 -0.04 -1.26 -3.74 135.00 126.99 1s24 n PRO 41 Ca 0.14 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1s24 n PRO 41 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1s24 n PRO 41 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s24 n ASP 42 N -1.39 -0.06 0.07 3.54 8.00 -1.26 -4.99 116.55 120.46 1s24 n ASP 42 Ca 0.08 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1s24 n ASP 42 Cb 0.21 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s24 n GLY 44 N 1.18 1.97 3.91 0.00 0.00 -1.25 -4.98 105.19 106.02 1s24 n GLY 44 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1s24 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s24 s ALA 45 N -2.00 4.19 0.49 4.61 0.00 -1.26 -4.89 121.76 122.90 1s24 s ALA 45 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1s24 s ALA 45 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1s24 s ALA 45 CO 0.00 -0.28 0.00 0.25 0.00 0.00 0.00 175.76 175.73 1s24 n THR 46 N -1.64 0.00 0.36 0.00 -2.24 -1.26 -3.56 114.28 105.93 1s24 n THR 46 Ca 0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1s24 n THR 46 Cb 0.61 -1.49 0.49 0.00 -2.10 0.00 0.00 70.33 67.84 1s24 n THR 46 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s24 n LYS 47 N -0.24 0.17 -0.21 -0.78 5.02 -1.26 -3.03 118.16 117.83 1s24 n LYS 47 Ca 0.00 0.45 0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1s24 n LYS 47 Cb 0.00 -1.86 0.12 0.00 -0.02 0.00 0.00 35.03 33.27 1s24 n LYS 47 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1s24 h GLU 48 N 0.00 0.35 0.00 1.97 4.57 -1.99 0.33 114.58 119.80 1s24 h GLU 48 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1s24 h GLU 48 Cb 0.29 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1s24 h GLU 48 CO 0.00 0.23 -0.05 -0.44 -1.18 0.00 0.00 179.01 177.57 1s24 h ASP 49 N 0.36 0.00 -3.04 1.04 5.19 -1.90 -3.43 116.42 114.64 1s24 h ASP 49 Ca 0.33 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 56.12 1s24 h ASP 49 Cb 0.45 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.88 1s24 h ASP 49 CO -0.36 0.05 -0.39 -0.31 -3.12 0.00 0.00 179.24 175.11 1s24 s TYR 50 N -3.67 3.54 0.31 4.55 2.02 0.12 -0.99 117.35 123.22 1s24 s TYR 50 Ca 0.01 0.58 0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1s24 s TYR 50 Cb 0.09 -2.17 -0.05 0.00 -0.40 0.00 0.00 41.96 39.43 1s24 s TYR 50 CO 0.56 0.47 0.08 0.14 -1.57 0.00 0.00 175.55 175.24 1s24 s VAL 51 N -0.27 0.88 -0.23 0.71 -7.23 -0.66 -4.87 120.40 108.73 1s24 s VAL 51 Ca 0.15 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1s24 s VAL 51 Cb -0.13 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1s24 s VAL 51 CO 0.04 0.00 1.08 -0.22 -0.31 0.00 0.00 175.10 175.69 1s24 s LEU 52 N -3.43 4.09 0.72 1.32 1.98 -1.26 -1.73 118.68 120.36 1s24 s LEU 52 Ca 0.36 1.38 -0.11 0.00 -2.89 0.00 0.00 54.13 52.86 1s24 s LEU 52 Cb 0.08 -3.54 0.02 0.00 0.66 0.00 0.00 46.19 43.41 1s24 s LEU 52 CO 0.15 -0.72 1.07 -0.47 -1.89 0.00 0.00 176.35 174.49 1s24 s TYR 53 N 3.32 3.10 -0.26 5.38 5.04 -0.65 -4.90 117.35 128.39 1s24 s TYR 53 Ca 0.46 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 56.35 1s24 s TYR 53 Cb -0.16 -2.97 0.07 0.00 0.35 0.00 0.00 41.96 39.25 1s24 s TYR 53 CO 0.09 -1.35 -0.01 -1.21 -1.34 0.00 0.00 175.55 171.72 1s24 s GLU 54 N -5.14 1.43 0.56 4.97 2.02 -1.26 -4.86 118.70 116.42 1s24 s GLU 54 Ca 0.59 -1.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.34 1s24 s GLU 54 Cb -0.13 -2.58 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 1s24 s GLU 54 CO 0.54 -0.71 0.97 -1.21 0.02 0.00 0.00 175.26 174.87 1s24 s GLU 55 N 1.37 3.68 0.00 1.61 2.02 -1.26 -5.23 118.70 120.89 1s24 s GLU 55 Ca -0.01 0.71 0.01 0.00 0.02 0.00 0.00 54.97 55.70 1s24 s GLU 55 Cb -0.19 -2.15 0.07 0.00 0.10 0.00 0.00 34.13 31.96 1s24 s GLU 55 CO -0.09 -0.42 0.57 1.17 0.02 0.00 0.00 175.26 176.50