#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 3.67 0.74 0.00 2.02 -1.26 -5.03 117.35 117.49 1s24 s TYR 2 Ca 0.00 1.69 -0.11 0.00 -0.37 0.00 0.00 57.07 58.29 1s24 s TYR 2 Cb 0.00 -3.21 0.05 0.00 -0.40 0.00 0.00 41.96 38.40 1s24 s TYR 2 CO 0.00 -0.36 1.10 -0.51 -1.57 0.00 0.00 175.55 174.22 1s24 s LEU 3 N -0.74 2.74 -0.04 -1.29 1.02 -1.26 -4.84 118.68 114.28 1s24 s LEU 3 Ca 0.47 0.85 -0.01 0.00 0.02 0.00 0.00 54.13 55.45 1s24 s LEU 3 Cb -0.29 -3.49 0.03 0.00 0.02 0.00 0.00 46.19 42.46 1s24 s LEU 3 CO 0.36 -1.60 0.03 -0.54 0.02 0.00 0.00 176.35 174.61 1s24 s LYS 4 N -5.41 0.17 -0.08 1.70 3.01 -1.26 -2.46 119.74 115.42 1s24 s LYS 4 Ca 0.60 0.20 -0.05 0.00 -1.01 0.00 0.00 55.97 55.71 1s24 s LYS 4 Cb -0.11 -0.54 -0.04 0.00 -1.01 0.00 0.00 37.83 36.13 1s24 s LYS 4 CO 0.49 -0.23 0.14 -1.58 0.51 0.00 0.00 175.35 174.67 1s24 s TRP 5 N 1.58 3.53 -0.17 3.18 0.52 -0.70 -1.57 118.94 125.31 1s24 s TRP 5 Ca -0.02 0.43 -0.05 0.00 0.02 0.00 0.00 56.10 56.48 1s24 s TRP 5 Cb -0.13 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1s24 s TRP 5 CO -0.03 0.68 -0.00 -1.50 0.02 0.00 0.00 176.95 176.11 1s24 s ILE 6 N -1.11 4.14 -1.07 2.03 -1.16 -0.34 0.65 121.20 124.34 1s24 s ILE 6 Ca 0.19 -0.26 -0.22 0.00 -0.51 0.00 0.00 60.65 59.84 1s24 s ILE 6 Cb -0.12 -2.84 0.02 0.00 0.61 0.00 0.00 42.46 40.13 1s24 s ILE 6 CO 0.09 0.47 1.65 0.00 -2.81 0.00 0.00 174.94 174.34 1s24 h ILE 8 N 6.58 0.14 -0.01 0.00 2.10 -1.02 1.34 117.51 126.63 1s24 h ILE 8 Ca 0.23 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 66.11 1s24 h ILE 8 Cb 0.97 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 1s24 h ILE 8 CO 1.38 0.00 -0.32 0.74 -1.08 0.00 0.00 178.15 178.87 1s24 h THR 9 N 0.00 1.24 0.00 2.19 2.02 -1.87 -3.38 112.91 113.11 1s24 h THR 9 Ca 0.12 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1s24 h THR 9 Cb 1.18 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1s24 h THR 9 CO -0.00 0.32 0.00 0.00 0.37 0.00 0.00 175.52 176.21 1s24 n GLY 11 N 0.00 2.52 3.63 0.00 0.00 0.42 -5.02 105.19 106.73 1s24 n GLY 11 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1s24 n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1s24 n HIS 12 N -0.26 1.74 -4.47 1.61 -0.00 -1.26 -4.35 115.22 108.23 1s24 n HIS 12 Ca 0.00 0.56 -0.33 0.00 0.46 0.00 0.00 57.72 58.41 1s24 n HIS 12 Cb 0.00 -2.37 -0.10 0.00 -0.12 0.00 0.00 29.99 27.40 1s24 n HIS 12 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1s24 s ILE 13 N -0.25 3.82 -0.25 3.57 1.01 -1.26 0.38 121.20 128.23 1s24 s ILE 13 Ca 0.69 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1s24 s ILE 13 Cb -0.73 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1s24 s ILE 13 CO 0.52 0.48 0.25 -0.47 0.00 0.00 0.00 174.94 175.72 1s24 s TYR 14 N -0.94 3.29 -0.40 3.97 5.04 0.21 -4.93 117.35 123.59 1s24 s TYR 14 Ca 0.16 0.31 -0.12 0.00 -2.44 0.00 0.00 57.07 54.97 1s24 s TYR 14 Cb -0.11 -2.39 0.04 0.00 0.35 0.00 0.00 41.96 39.85 1s24 s TYR 14 CO 0.05 -0.05 0.26 -0.51 -1.34 0.00 0.00 175.55 173.97 1s24 s ASP 15 N 1.30 5.86 0.60 4.32 1.11 -1.26 -1.71 116.67 126.88 1s24 s ASP 15 Ca 0.11 -1.11 0.29 0.00 0.18 0.00 0.00 52.55 52.01 1s24 s ASP 15 Cb -0.15 -2.07 1.32 0.00 1.07 0.00 0.00 42.92 43.09 1s24 s ASP 15 CO 0.07 -0.46 1.70 -0.33 1.18 0.00 0.00 175.17 177.33 1s24 h GLU 16 N 8.52 0.00 -0.77 8.23 5.08 -1.72 1.16 114.58 135.07 1s24 h GLU 16 Ca -0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1s24 h GLU 16 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1s24 h GLU 16 CO 0.73 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 178.78 1s24 n ALA 17 N -2.32 3.48 -2.67 3.43 0.00 -1.26 -0.79 120.51 120.39 1s24 n ALA 17 Ca 0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 53.44 52.29 1s24 n ALA 17 Cb 0.97 -1.10 0.11 0.00 0.00 0.00 0.00 19.45 19.43 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 0.29 -1.26 0.00 0.00 7.94 0.40 -4.70 117.00 119.66 1s24 n LEU 18 Ca 0.19 -1.91 0.00 0.00 -1.11 0.00 0.00 56.01 53.18 1s24 n LEU 18 Cb 0.88 0.96 0.00 0.00 0.53 0.00 0.00 43.42 45.79 1s24 n LEU 18 CO 0.22 1.61 0.00 0.61 -1.11 0.00 0.00 177.39 178.72 1s24 n GLY 19 N 0.55 -1.95 3.97 -3.96 0.00 -1.12 -4.41 105.19 98.27 1s24 n GLY 19 Ca -0.05 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.62 5.31 -0.17 1.61 1.01 -1.25 -4.98 116.67 116.57 1s24 s ASP 20 Ca 0.00 -0.65 -0.04 0.00 0.71 0.00 0.00 52.55 52.57 1s24 s ASP 20 Cb 0.00 -0.38 -0.09 0.00 1.01 0.00 0.00 42.92 43.45 1s24 s ASP 20 CO 0.00 -0.86 -0.19 -0.62 0.21 0.00 0.00 175.17 173.72 1s24 n GLU 21 N -1.83 0.39 0.12 8.23 -0.58 -1.26 -2.23 120.64 123.49 1s24 n GLU 21 Ca 0.07 0.13 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 1s24 n GLU 21 Cb 0.61 -1.22 -0.06 0.00 -0.57 0.00 0.00 31.44 30.20 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s24 h ALA 22 N -0.32 -0.47 0.00 0.62 0.00 -1.97 0.10 119.26 117.22 1s24 h ALA 22 Ca -0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1s24 h ALA 22 Cb 1.48 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1s24 h ALA 22 CO -0.16 -0.81 0.00 1.49 0.00 0.00 0.00 179.25 179.76 1s24 h GLU 23 N -0.49 0.00 0.00 0.00 4.57 -2.02 -3.45 114.58 113.20 1s24 h GLU 23 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1s24 h GLU 23 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1s24 h GLU 23 CO -0.14 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.10 1s24 n GLY 24 N -1.14 0.89 3.44 1.92 0.00 0.02 -4.97 105.19 105.35 1s24 n GLY 24 Ca -0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1s24 n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s24 n PHE 25 N -3.05 4.51 -1.55 1.61 3.01 -0.94 -4.98 117.46 116.07 1s24 n PHE 25 Ca 0.00 -2.90 -0.38 0.00 1.01 0.00 0.00 57.45 55.18 1s24 n PHE 25 Cb 0.34 -2.58 0.04 0.00 -0.01 0.00 0.00 39.48 37.27 1s24 n PHE 25 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1s24 n THR 26 N 6.02 2.93 -1.64 4.37 5.66 -1.26 -3.90 114.28 126.46 1s24 n THR 26 Ca 0.48 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 60.55 1s24 n THR 26 Cb 0.45 -0.93 -0.03 0.00 -1.55 0.00 0.00 70.33 68.26 1s24 n THR 26 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1s24 n PRO 27 N -0.46 2.44 0.00 1.09 -0.04 -1.26 -2.40 135.00 134.36 1s24 n PRO 27 Ca 0.12 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1s24 n PRO 27 Cb 0.46 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1s24 n PRO 27 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s24 n GLY 28 N 4.97 1.35 3.68 0.55 0.00 0.03 -4.94 105.19 110.83 1s24 n GLY 28 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.16 2.61 -1.04 -1.01 -4.89 114.28 105.81 1s24 n THR 29 Ca 0.00 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1s24 n THR 29 Cb 0.00 -1.60 -0.08 0.00 -1.82 0.00 0.00 70.33 66.83 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 1.01 2.67 0.33 -2.82 0.52 -1.26 -4.56 118.95 114.84 1s24 s ARG 30 Ca 0.79 -0.75 0.09 0.00 -0.52 0.00 0.00 55.73 55.34 1s24 s ARG 30 Cb -0.66 -2.61 0.86 0.00 0.52 0.00 0.00 34.95 33.06 1s24 s ARG 30 CO 0.37 0.57 1.76 0.74 0.02 0.00 0.00 175.30 178.76 1s24 h PHE 31 N 3.66 0.98 -0.72 -0.53 -1.00 -1.93 -0.04 116.94 117.36 1s24 h PHE 31 Ca -0.48 0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.47 1s24 h PHE 31 Cb 1.17 -0.29 -0.09 0.00 3.61 0.00 0.00 35.95 40.35 1s24 h PHE 31 CO 0.61 0.14 0.26 1.49 -1.61 0.00 0.00 178.31 179.20 1s24 h GLU 32 N 0.63 0.39 -0.05 1.51 4.57 -2.00 0.72 114.58 120.35 1s24 h GLU 32 Ca 0.61 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 1s24 h GLU 32 Cb 1.12 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1s24 h GLU 32 CO -0.40 0.26 0.00 -0.25 -1.18 0.00 0.00 179.01 177.43 1s24 n ASP 33 N -5.03 0.40 -4.21 1.04 8.00 -0.05 -4.61 116.55 112.08 1s24 n ASP 33 Ca 0.13 -1.57 -0.41 0.00 0.71 0.00 0.00 54.79 53.65 1s24 n ASP 33 Cb 0.40 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.38 1s24 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s24 s ILE 34 N -1.94 4.26 0.00 0.53 1.01 0.25 -4.95 121.20 120.36 1s24 s ILE 34 Ca 0.25 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.06 1s24 s ILE 34 Cb 0.12 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1s24 s ILE 34 CO 0.20 -0.79 0.00 -0.81 0.00 0.00 0.00 174.94 173.53 1s24 n PRO 35 N 4.84 0.13 0.00 2.79 -0.04 -1.26 -4.85 135.00 136.61 1s24 n PRO 35 Ca -0.07 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.53 1s24 n PRO 35 Cb 0.41 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 34.60 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s24 n ASP 36 N -1.01 0.00 0.14 3.54 5.68 -1.26 -3.45 116.55 120.19 1s24 n ASP 36 Ca 0.00 -0.34 0.02 0.00 -0.50 0.00 0.00 54.79 53.97 1s24 n ASP 36 Cb 0.00 -0.20 0.38 0.00 -1.14 0.00 0.00 41.12 40.16 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1s24 h ASP 37 N 0.00 0.16 -4.13 -1.12 1.82 -2.00 -3.43 116.42 107.71 1s24 h ASP 37 Ca 0.00 -0.04 -0.47 0.00 -0.39 0.00 0.00 57.03 56.13 1s24 h ASP 37 Cb 0.18 -0.04 0.08 0.00 0.68 0.00 0.00 39.33 40.23 1s24 h ASP 37 CO 0.00 0.39 0.31 0.86 -1.61 0.00 0.00 179.24 179.19 1s24 s TRP 38 N -4.54 3.11 0.00 0.28 -0.00 -1.22 -5.08 118.94 111.49 1s24 s TRP 38 Ca -0.05 0.72 0.00 0.00 -0.00 0.00 0.00 56.10 56.77 1s24 s TRP 38 Cb 0.15 -3.13 0.00 0.00 -0.00 0.00 0.00 33.47 30.49 1s24 s TRP 38 CO 0.73 -1.30 0.00 0.00 -0.00 0.00 0.00 176.95 176.38 1s24 n PRO 41 N 1.70 0.73 -0.13 0.00 -0.04 -1.26 -3.23 135.00 132.77 1s24 n PRO 41 Ca -0.15 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1s24 n PRO 41 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1s24 n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1s24 n ASP 42 N -1.10 0.86 0.00 3.54 -0.08 -1.26 -4.96 116.55 113.54 1s24 n ASP 42 Ca 0.19 -1.80 0.00 0.00 -1.51 0.00 0.00 54.79 51.66 1s24 n ASP 42 Cb 0.14 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s24 n GLY 44 N 0.34 1.60 0.28 0.00 0.00 -1.20 -4.96 105.19 101.24 1s24 n GLY 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.05 -2.62 4.61 0.00 -1.26 -4.83 120.51 116.45 1s24 n ALA 45 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1s24 n ALA 45 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.42 0.00 0.32 0.00 -2.24 -1.26 -3.32 114.28 107.37 1s24 n THR 46 Ca -0.01 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.97 1s24 n THR 46 Cb 0.05 -0.64 1.05 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.98 -0.78 3.64 -1.89 -2.13 116.57 114.43 1s24 h LYS 47 Ca 0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 1s24 h LYS 47 Cb 0.00 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 1s24 h LYS 47 CO 0.00 0.00 0.59 0.93 -2.27 0.00 0.00 179.45 178.70 1s24 h GLU 48 N 0.00 0.76 0.00 1.90 5.08 -2.02 0.33 114.58 120.64 1s24 h GLU 48 Ca 0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1s24 h GLU 48 Cb 0.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1s24 h GLU 48 CO 0.00 0.50 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.79 1s24 h ASP 49 N 0.79 0.00 -3.00 1.42 5.19 -1.75 -3.44 116.42 115.62 1s24 h ASP 49 Ca 0.55 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 56.34 1s24 h ASP 49 Cb 0.79 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.24 1s24 h ASP 49 CO -0.36 0.29 -0.27 -0.31 -3.12 0.00 0.00 179.24 175.47 1s24 s TYR 50 N -3.19 3.66 0.26 4.55 2.02 0.12 -0.39 117.35 124.38 1s24 s TYR 50 Ca 0.04 0.85 0.10 0.00 -0.37 0.00 0.00 57.07 57.69 1s24 s TYR 50 Cb 0.07 -2.25 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 1s24 s TYR 50 CO 0.70 0.58 -0.16 0.08 -1.57 0.00 0.00 175.55 175.18 1s24 s VAL 51 N -0.76 2.13 -0.60 0.71 1.01 0.15 -4.85 120.40 118.19 1s24 s VAL 51 Ca 0.21 -2.30 -0.27 0.00 0.00 0.00 0.00 61.98 59.63 1s24 s VAL 51 Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1s24 s VAL 51 CO 0.10 -0.44 1.71 -0.22 0.00 0.00 0.00 175.10 176.25 1s24 s LEU 52 N -3.45 3.31 0.81 3.92 1.98 -1.26 -1.19 118.68 122.79 1s24 s LEU 52 Ca 0.28 0.30 -0.11 0.00 -2.89 0.00 0.00 54.13 51.71 1s24 s LEU 52 Cb -0.02 -2.69 0.08 0.00 0.66 0.00 0.00 46.19 44.22 1s24 s LEU 52 CO 0.12 -2.15 1.10 -0.47 -1.89 0.00 0.00 176.35 173.06 1s24 s TYR 53 N 7.99 2.40 0.45 5.38 5.04 -0.61 -4.92 117.35 133.08 1s24 s TYR 53 Ca 0.62 1.56 -0.06 0.00 -2.44 0.00 0.00 57.07 56.74 1s24 s TYR 53 Cb -0.12 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.04 1s24 s TYR 53 CO 0.22 -2.02 0.76 -2.00 -1.34 0.00 0.00 175.55 171.16 1s24 s GLU 54 N -4.87 3.59 1.11 4.97 2.56 -1.26 -4.76 118.70 120.04 1s24 s GLU 54 Ca 0.62 0.21 -0.18 0.00 0.00 0.00 0.00 54.97 55.62 1s24 s GLU 54 Cb -0.18 -2.41 0.28 0.00 2.00 0.00 0.00 34.13 33.83 1s24 s GLU 54 CO 0.56 -0.13 0.71 0.39 -0.56 0.00 0.00 175.26 176.23 1s24 n GLU 55 N -1.99 -3.92 0.00 4.30 4.71 -1.26 -4.98 120.64 117.49 1s24 n GLU 55 Ca 0.00 -1.18 0.00 0.00 -0.01 0.00 0.00 57.16 55.97 1s24 n GLU 55 Cb 0.55 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39