#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 3.28 0.44 0.00 2.02 -1.26 -5.08 117.35 116.76 1s24 s TYR 2 Ca 0.00 0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 1s24 s TYR 2 Cb 0.00 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1s24 s TYR 2 CO 0.00 0.36 0.67 -0.51 -1.57 0.00 0.00 175.55 174.50 1s24 s LEU 3 N -0.29 3.69 0.03 -1.29 1.02 -1.26 -4.85 118.68 115.73 1s24 s LEU 3 Ca 0.08 0.41 0.03 0.00 0.02 0.00 0.00 54.13 54.68 1s24 s LEU 3 Cb -0.12 -3.29 -0.02 0.00 0.02 0.00 0.00 46.19 42.78 1s24 s LEU 3 CO 0.02 -0.63 -0.10 -0.54 0.02 0.00 0.00 176.35 175.12 1s24 s LYS 4 N -4.56 0.66 0.35 1.70 3.01 -1.26 -1.51 119.74 118.13 1s24 s LYS 4 Ca 0.47 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.78 1s24 s LYS 4 Cb -0.10 -0.56 0.00 0.00 -1.01 0.00 0.00 37.83 36.16 1s24 s LYS 4 CO 0.39 0.13 0.00 0.91 0.51 0.00 0.00 175.35 177.29 1s24 n TRP 5 N 1.90 0.77 -3.68 3.18 7.02 -0.52 -1.13 117.44 124.98 1s24 n TRP 5 Ca -0.19 -1.71 -0.10 0.00 -1.02 0.00 0.00 57.50 54.49 1s24 n TRP 5 Cb 0.55 -0.23 -0.10 0.00 -2.42 0.00 0.00 31.31 29.11 1s24 n TRP 5 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 1s24 s ILE 6 N -2.24 -0.06 -0.91 -0.99 -1.16 0.25 0.84 121.20 116.93 1s24 s ILE 6 Ca 0.00 0.08 -0.24 0.00 -0.51 0.00 0.00 60.65 59.98 1s24 s ILE 6 Cb -0.00 -0.68 0.01 0.00 0.61 0.00 0.00 42.46 42.40 1s24 s ILE 6 CO 0.00 0.03 1.63 0.00 -2.81 0.00 0.00 174.94 173.80 1s24 h ILE 8 N 6.86 0.21 0.00 0.00 3.07 -1.22 0.94 117.51 127.38 1s24 h ILE 8 Ca 0.07 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.41 1s24 h ILE 8 Cb 1.03 0.58 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 1s24 h ILE 8 CO 1.32 0.00 -0.31 0.74 -1.05 0.00 0.00 178.15 178.85 1s24 h THR 9 N 0.00 0.92 0.00 0.16 2.02 -1.87 -3.39 112.91 110.75 1s24 h THR 9 Ca 0.14 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1s24 h THR 9 Cb 1.11 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1s24 h THR 9 CO -0.00 0.30 -0.71 0.00 0.37 0.00 0.00 175.52 175.48 1s24 n GLY 11 N 2.56 1.63 3.67 0.00 0.00 0.26 -5.03 105.19 108.28 1s24 n GLY 11 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.39 0.10 1.61 3.76 -1.26 -4.83 115.29 116.07 1s24 s HIS 12 Ca 0.00 0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 55.43 1s24 s HIS 12 Cb 0.00 -2.58 -0.07 0.00 1.11 0.00 0.00 32.58 31.04 1s24 s HIS 12 CO 0.00 -0.02 0.59 0.42 -0.85 0.00 0.00 174.74 174.88 1s24 s ILE 13 N 1.34 4.72 0.04 0.60 1.01 -1.26 -1.39 121.20 126.25 1s24 s ILE 13 Ca 0.22 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1s24 s ILE 13 Cb -0.15 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1s24 s ILE 13 CO 0.09 0.47 0.14 -0.47 0.00 0.00 0.00 174.94 175.17 1s24 s TYR 14 N -1.20 3.39 -0.27 3.97 5.04 0.25 -4.89 117.35 123.63 1s24 s TYR 14 Ca 0.32 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 1s24 s TYR 14 Cb -0.19 -1.73 0.07 0.00 0.35 0.00 0.00 41.96 40.46 1s24 s TYR 14 CO 0.20 0.58 -0.02 0.34 -1.34 0.00 0.00 175.55 175.30 1s24 s ASP 15 N -2.18 4.18 0.61 4.32 2.15 -1.26 -1.43 116.67 123.06 1s24 s ASP 15 Ca 0.29 -1.48 0.27 0.00 0.43 0.00 0.00 52.55 52.07 1s24 s ASP 15 Cb -0.12 -1.31 1.37 0.00 -0.30 0.00 0.00 42.92 42.55 1s24 s ASP 15 CO 0.21 -0.28 1.78 -0.33 -0.17 0.00 0.00 175.17 176.38 1s24 h GLU 16 N 7.86 0.00 -0.73 4.34 5.08 -1.44 1.06 114.58 130.76 1s24 h GLU 16 Ca -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1s24 h GLU 16 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1s24 h GLU 16 CO 0.45 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.47 1s24 n ALA 17 N -2.21 3.45 -2.67 3.43 0.00 -1.26 -0.12 120.51 121.13 1s24 n ALA 17 Ca 0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 53.44 52.19 1s24 n ALA 17 Cb 0.75 -1.09 0.09 0.00 0.00 0.00 0.00 19.45 19.21 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 0.40 -1.29 0.00 0.00 7.94 0.37 -4.25 117.00 120.16 1s24 n LEU 18 Ca 0.19 -1.85 0.00 0.00 -1.11 0.00 0.00 56.01 53.24 1s24 n LEU 18 Cb 0.89 0.77 0.00 0.00 0.53 0.00 0.00 43.42 45.61 1s24 n LEU 18 CO 0.22 1.59 0.00 0.61 -1.11 0.00 0.00 177.39 178.71 1s24 n GLY 19 N 1.01 -0.95 3.94 -3.96 0.00 -1.13 -4.36 105.19 99.74 1s24 n GLY 19 Ca -0.02 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.41 5.23 -0.16 1.61 1.11 -1.25 -4.99 116.67 116.81 1s24 s ASP 20 Ca 0.00 -0.69 0.06 0.00 0.18 0.00 0.00 52.55 52.10 1s24 s ASP 20 Cb 0.00 -0.43 -0.14 0.00 1.07 0.00 0.00 42.92 43.42 1s24 s ASP 20 CO 0.00 -0.80 -0.07 -0.62 1.18 0.00 0.00 175.17 174.86 1s24 n GLU 21 N -1.74 1.01 -0.17 8.23 1.02 -1.26 -2.12 120.64 125.60 1s24 n GLU 21 Ca 0.06 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 1s24 n GLU 21 Cb 0.61 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.30 0.68 0.00 0.62 0.00 -1.96 -2.21 119.26 116.68 1s24 h ALA 22 Ca -0.39 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1s24 h ALA 22 Cb 1.72 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1s24 h ALA 22 CO -0.03 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.12 1s24 n GLU 23 N -4.30 0.46 -1.59 0.00 -0.58 -1.26 -4.84 120.64 108.53 1s24 n GLU 23 Ca 0.01 0.05 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1s24 n GLU 23 Cb 0.33 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.69 1s24 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s24 n GLY 24 N 0.46 0.42 3.55 0.62 0.00 -0.83 -4.94 105.19 104.46 1s24 n GLY 24 Ca 0.13 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.48 4.75 -1.40 1.61 3.01 -0.90 -4.98 117.46 116.07 1s24 n PHE 25 Ca -0.03 -2.98 -0.37 0.00 1.01 0.00 0.00 57.45 55.07 1s24 n PHE 25 Cb 0.32 -2.52 0.05 0.00 -0.01 0.00 0.00 39.48 37.32 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 5.90 2.06 -1.63 4.37 5.66 -1.26 -3.81 114.28 125.57 1s24 n THR 26 Ca 0.46 -0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 60.56 1s24 n THR 26 Cb 0.45 -0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 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 -0.19 2.42 0.00 1.09 -0.02 -1.26 -2.55 135.00 134.49 1s24 n PRO 27 Ca 0.11 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1s24 n PRO 27 Cb 0.48 -3.14 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 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 5.17 1.73 3.61 -1.23 0.00 -0.87 -4.89 105.19 108.71 1s24 n GLY 28 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 4.75 0.07 2.61 2.01 0.83 -4.85 115.64 119.05 1s24 s THR 29 Ca 0.00 1.19 -0.18 0.00 0.31 0.00 0.00 61.69 63.01 1s24 s THR 29 Cb 0.00 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1s24 s THR 29 CO 0.00 -0.31 0.53 -0.13 -0.69 0.00 0.00 174.62 174.02 1s24 s ARG 30 N 3.07 4.11 0.38 4.92 0.52 -1.26 -4.22 118.95 126.48 1s24 s ARG 30 Ca 0.34 0.64 0.06 0.00 -0.52 0.00 0.00 55.73 56.24 1s24 s ARG 30 Cb -0.14 -3.19 0.78 0.00 0.52 0.00 0.00 34.95 32.92 1s24 s ARG 30 CO 0.14 0.63 2.02 0.35 0.02 0.00 0.00 175.30 178.46 1s24 h PHE 31 N 4.44 0.64 -0.79 -0.53 3.57 -1.93 -1.41 116.94 120.94 1s24 h PHE 31 Ca -0.50 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.24 1s24 h PHE 31 Cb 1.21 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1s24 h PHE 31 CO 0.68 0.38 0.56 1.49 -2.23 0.00 0.00 178.31 179.20 1s24 h GLU 32 N 0.68 0.05 -0.57 1.11 4.57 -2.00 0.55 114.58 118.97 1s24 h GLU 32 Ca 0.22 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1s24 h GLU 32 Cb 0.04 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1s24 h GLU 32 CO -0.06 0.03 0.00 -3.47 -1.18 0.00 0.00 179.01 174.34 1s24 n ASP 33 N -4.33 5.48 -4.11 1.04 2.03 -0.53 -4.83 116.55 111.30 1s24 n ASP 33 Ca 0.16 -2.86 -0.34 0.00 0.52 0.00 0.00 54.79 52.28 1s24 n ASP 33 Cb 0.82 -0.66 -0.14 0.00 -0.72 0.00 0.00 41.12 40.43 1s24 n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1s24 s ILE 34 N -2.61 2.77 0.00 5.18 1.01 0.19 -4.97 121.20 122.76 1s24 s ILE 34 Ca 0.53 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1s24 s ILE 34 Cb 0.40 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1s24 s ILE 34 CO 0.17 -0.37 0.00 -2.65 0.00 0.00 0.00 174.94 172.09 1s24 n PRO 35 N 4.50 1.54 -0.57 2.79 -0.02 -1.26 -4.82 135.00 137.15 1s24 n PRO 35 Ca -0.06 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1s24 n PRO 35 Cb 0.42 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.18 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s24 n ASP 36 N 0.00 4.05 -0.05 2.55 8.00 -1.26 -4.29 116.55 125.55 1s24 n ASP 36 Ca 0.00 -2.54 -0.16 0.00 0.71 0.00 0.00 54.79 52.79 1s24 n ASP 36 Cb 0.00 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 40.38 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1s24 h ASP 37 N 2.81 0.09 -4.01 -2.24 3.58 -1.98 -3.46 116.42 111.21 1s24 h ASP 37 Ca 0.00 -0.93 -0.54 0.00 0.42 0.00 0.00 57.03 55.98 1s24 h ASP 37 Cb 1.40 -0.03 0.11 0.00 1.72 0.00 0.00 39.33 42.53 1s24 h ASP 37 CO 0.29 1.14 0.61 0.86 -2.88 0.00 0.00 179.24 179.27 1s24 s TRP 38 N -2.28 2.50 0.00 0.28 -0.00 -1.26 -5.02 118.94 113.15 1s24 s TRP 38 Ca -0.19 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 57.28 1s24 s TRP 38 Cb -0.01 -3.75 0.00 0.00 -0.00 0.00 0.00 33.47 29.71 1s24 s TRP 38 CO 0.71 -2.58 0.00 0.00 -0.00 0.00 0.00 176.95 175.07 1s24 n PRO 41 N -1.23 0.09 -2.69 0.00 -0.02 -1.26 -3.46 135.00 126.43 1s24 n PRO 41 Ca 0.07 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1s24 n PRO 41 Cb 0.54 -1.76 0.12 0.00 -0.02 0.00 0.00 33.50 32.38 1s24 n PRO 41 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1s24 n ASP 42 N -1.96 -1.12 0.15 2.55 2.03 -1.26 -5.00 116.55 111.95 1s24 n ASP 42 Ca 0.00 -2.22 0.00 0.00 0.52 0.00 0.00 54.79 53.10 1s24 n ASP 42 Cb 0.08 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s24 n GLY 44 N 1.22 1.39 0.15 0.00 0.00 -1.26 -4.95 105.19 101.74 1s24 n GLY 44 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.25 0.02 -3.56 4.61 0.00 -1.26 -4.89 120.51 114.17 1s24 n ALA 45 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1s24 n ALA 45 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.35 0.00 0.26 0.00 -2.24 -1.26 -4.31 114.28 105.39 1s24 n THR 46 Ca 0.01 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.23 1s24 n THR 46 Cb 0.02 -0.40 0.74 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.94 -0.78 3.64 -1.90 -2.62 116.57 113.98 1s24 h LYS 47 Ca -0.11 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1s24 h LYS 47 Cb 0.42 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 1s24 h LYS 47 CO 0.17 0.00 0.60 0.93 -2.27 0.00 0.00 179.45 178.89 1s24 h GLU 48 N 0.00 0.91 0.00 1.90 5.08 -2.01 0.23 114.58 120.70 1s24 h GLU 48 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1s24 h GLU 48 Cb 0.13 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1s24 h GLU 48 CO 0.00 0.60 0.00 -0.25 -1.00 0.00 0.00 179.01 178.36 1s24 n ASP 49 N -4.55 0.47 -4.81 1.42 9.92 -0.99 -4.75 116.55 113.26 1s24 n ASP 49 Ca 0.16 0.56 -0.36 0.00 -0.53 0.00 0.00 54.79 54.63 1s24 n ASP 49 Cb 0.32 -0.68 -0.07 0.00 -0.64 0.00 0.00 41.12 40.05 1s24 n ASP 49 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1s24 s TYR 50 N -3.10 3.50 0.05 1.24 2.02 0.82 -0.64 117.35 121.24 1s24 s TYR 50 Ca 0.10 0.43 0.04 0.00 -0.37 0.00 0.00 57.07 57.26 1s24 s TYR 50 Cb 0.13 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 1s24 s TYR 50 CO 0.50 0.57 -0.11 0.08 -1.57 0.00 0.00 175.55 175.02 1s24 s VAL 51 N -0.58 0.83 -0.00 0.71 1.01 -0.60 -4.89 120.40 116.88 1s24 s VAL 51 Ca 0.12 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1s24 s VAL 51 Cb -0.12 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 1s24 s VAL 51 CO 0.02 -0.25 1.79 -0.22 0.00 0.00 0.00 175.10 176.44 1s24 s LEU 52 N -1.53 4.38 -0.22 3.92 0.20 -1.26 -0.58 118.68 123.58 1s24 s LEU 52 Ca -0.05 2.46 -0.29 0.00 0.69 0.00 0.00 54.13 56.94 1s24 s LEU 52 Cb -0.09 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.13 1s24 s LEU 52 CO 0.01 -0.98 1.22 -0.47 -0.29 0.00 0.00 176.35 175.84 1s24 s TYR 53 N 4.08 2.92 -0.45 5.38 5.04 -0.28 -4.86 117.35 129.17 1s24 s TYR 53 Ca 0.80 1.07 0.03 0.00 -2.44 0.00 0.00 57.07 56.53 1s24 s TYR 53 Cb -0.38 -3.58 0.24 0.00 0.35 0.00 0.00 41.96 38.59 1s24 s TYR 53 CO 0.35 -1.41 0.96 -0.85 -1.34 0.00 0.00 175.55 173.26 1s24 n GLU 54 N 6.76 0.55 -1.99 4.97 -0.00 -1.26 -4.75 120.64 124.91 1s24 n GLU 54 Ca 0.14 -1.47 -0.42 0.00 -0.00 0.00 0.00 57.16 55.40 1s24 n GLU 54 Cb 0.46 -1.08 -0.03 0.00 -0.00 0.00 0.00 31.44 30.79 1s24 n GLU 54 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1s24 s GLU 55 N 0.60 3.26 0.00 3.44 2.12 -1.26 -5.28 118.70 121.58 1s24 s GLU 55 Ca 0.30 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.99 1s24 s GLU 55 Cb 0.18 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1s24 s GLU 55 CO -0.17 -1.95 0.00 1.17 -0.54 0.00 0.00 175.26 173.77