#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 2.11 0.49 0.00 2.02 -1.26 -5.10 117.35 115.61 1s24 s TYR 2 Ca 0.00 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1s24 s TYR 2 Cb 0.00 -1.37 -0.00 0.00 -0.40 0.00 0.00 41.96 40.19 1s24 s TYR 2 CO 0.00 -0.09 0.74 -0.51 -1.57 0.00 0.00 175.55 174.12 1s24 s LEU 3 N -0.39 3.54 0.05 -1.29 1.02 -1.26 -4.86 118.68 115.49 1s24 s LEU 3 Ca 0.05 0.44 0.08 0.00 0.02 0.00 0.00 54.13 54.72 1s24 s LEU 3 Cb -0.10 -3.31 -0.03 0.00 0.02 0.00 0.00 46.19 42.77 1s24 s LEU 3 CO 0.00 -0.78 -0.23 -0.54 0.02 0.00 0.00 176.35 174.82 1s24 s LYS 4 N -4.68 1.56 0.50 1.70 1.02 -1.26 -2.97 119.74 115.62 1s24 s LYS 4 Ca 0.50 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.47 1s24 s LYS 4 Cb -0.10 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1s24 s LYS 4 CO 0.40 0.44 0.02 -1.58 -0.92 0.00 0.00 175.35 173.71 1s24 s TRP 5 N -0.81 1.81 -0.20 3.18 0.52 -0.81 -2.70 118.94 119.93 1s24 s TRP 5 Ca 0.09 -1.03 -0.10 0.00 0.02 0.00 0.00 56.10 55.08 1s24 s TRP 5 Cb -0.09 -1.53 0.07 0.00 -1.15 0.00 0.00 33.47 30.77 1s24 s TRP 5 CO 0.02 0.13 0.48 -1.50 0.02 0.00 0.00 176.95 176.11 1s24 s ILE 6 N -2.93 -0.15 -0.76 2.03 1.10 -0.62 0.11 121.20 119.99 1s24 s ILE 6 Ca 0.06 0.08 -0.26 0.00 -0.51 0.00 0.00 60.65 60.02 1s24 s ILE 6 Cb 0.01 -0.72 0.02 0.00 0.15 0.00 0.00 42.46 41.91 1s24 s ILE 6 CO 0.04 0.03 1.48 0.00 -2.11 0.00 0.00 174.94 174.38 1s24 h ILE 8 N 6.41 0.21 0.02 0.00 2.10 -1.40 1.13 117.51 125.98 1s24 h ILE 8 Ca -0.19 0.00 -0.22 0.00 1.08 0.00 0.00 64.86 65.54 1s24 h ILE 8 Cb 1.07 0.63 -0.03 0.00 -1.09 0.00 0.00 36.82 37.41 1s24 h ILE 8 CO 1.28 0.00 -1.02 0.74 -1.08 0.00 0.00 178.15 178.07 1s24 h THR 9 N 0.00 1.69 0.00 2.19 2.02 -1.88 -3.40 112.91 113.53 1s24 h THR 9 Ca 0.11 -3.36 -0.14 0.00 0.77 0.00 0.00 66.41 63.80 1s24 h THR 9 Cb 0.95 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 1s24 h THR 9 CO -0.00 0.96 -1.28 0.00 0.37 0.00 0.00 175.52 175.57 1s24 n GLY 11 N 2.19 1.45 3.79 0.00 0.00 0.35 -5.01 105.19 107.95 1s24 n GLY 11 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 3.49 0.17 1.61 3.76 -1.26 -4.83 115.29 116.23 1s24 s HIS 12 Ca 0.00 0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 55.22 1s24 s HIS 12 Cb 0.00 -2.11 -0.07 0.00 1.11 0.00 0.00 32.58 31.51 1s24 s HIS 12 CO 0.00 0.45 0.57 0.42 -0.85 0.00 0.00 174.74 175.34 1s24 s ILE 13 N -0.16 4.83 -0.18 0.60 1.01 -1.26 -1.92 121.20 124.12 1s24 s ILE 13 Ca 0.12 0.84 -0.07 0.00 0.00 0.00 0.00 60.65 61.54 1s24 s ILE 13 Cb -0.12 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1s24 s ILE 13 CO 0.01 0.19 0.05 -0.47 0.00 0.00 0.00 174.94 174.71 1s24 s TYR 14 N -1.53 3.20 -0.46 3.97 5.04 0.12 -4.91 117.35 122.78 1s24 s TYR 14 Ca 0.40 -0.02 -0.13 0.00 -2.44 0.00 0.00 57.07 54.88 1s24 s TYR 14 Cb -0.15 -2.07 0.08 0.00 0.35 0.00 0.00 41.96 40.18 1s24 s TYR 14 CO 0.19 0.09 0.35 0.34 -1.34 0.00 0.00 175.55 175.18 1s24 s ASP 15 N 0.45 5.94 0.63 4.32 -1.08 -1.26 -1.92 116.67 123.74 1s24 s ASP 15 Ca 0.02 -1.46 0.28 0.00 -0.52 0.00 0.00 52.55 50.87 1s24 s ASP 15 Cb -0.13 -2.11 1.46 0.00 -1.46 0.00 0.00 42.92 40.69 1s24 s ASP 15 CO 0.01 -0.63 1.85 -0.33 0.52 0.00 0.00 175.17 176.59 1s24 h GLU 16 N 8.62 0.00 0.00 4.34 5.08 -1.77 0.47 114.58 131.32 1s24 h GLU 16 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1s24 h GLU 16 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1s24 h GLU 16 CO 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.86 1s24 n ALA 17 N -2.10 2.24 -2.68 3.43 0.00 -1.26 -0.70 120.51 119.43 1s24 n ALA 17 Ca 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1s24 n ALA 17 Cb 0.58 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.74 1s24 n ALA 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1s24 n LEU 18 N -1.14 -1.60 0.00 0.00 -0.00 0.16 -4.06 117.00 110.37 1s24 n LEU 18 Ca 0.14 -2.12 0.00 0.00 -0.00 0.00 0.00 56.01 54.03 1s24 n LEU 18 Cb 0.12 0.67 0.00 0.00 -0.00 0.00 0.00 43.42 44.21 1s24 n LEU 18 CO 0.15 1.67 0.00 0.61 -0.00 0.00 0.00 177.39 179.82 1s24 n GLY 19 N 1.38 -2.83 3.96 1.47 0.00 -1.12 -4.68 105.19 103.37 1s24 n GLY 19 Ca 0.02 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.85 5.65 -0.08 1.61 2.15 -1.25 -4.94 116.67 117.95 1s24 s ASP 20 Ca 0.00 0.23 0.10 0.00 0.43 0.00 0.00 52.55 53.31 1s24 s ASP 20 Cb 0.00 -1.35 -0.15 0.00 -0.30 0.00 0.00 42.92 41.12 1s24 s ASP 20 CO 0.00 -0.86 0.10 1.21 -0.17 0.00 0.00 175.17 175.45 1s24 n GLU 21 N -2.20 1.68 0.11 4.34 4.07 -1.26 -1.31 120.64 126.08 1s24 n GLU 21 Ca 0.03 -0.04 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1s24 n GLU 21 Cb 0.58 -1.28 -0.08 0.00 -0.06 0.00 0.00 31.44 30.60 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s24 h ALA 22 N 0.70 -0.32 0.00 4.31 0.00 -1.96 -3.03 119.26 118.96 1s24 h ALA 22 Ca -0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1s24 h ALA 22 Cb 1.34 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1s24 h ALA 22 CO 0.01 -0.46 -0.08 0.93 0.00 0.00 0.00 179.25 179.64 1s24 h GLU 23 N -0.76 0.00 0.00 0.00 4.39 -2.01 -3.45 114.58 112.75 1s24 h GLU 23 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1s24 h GLU 23 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1s24 h GLU 23 CO 0.05 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 1s24 n GLY 24 N -0.85 1.92 3.55 -3.84 0.00 -1.14 -5.02 105.19 99.81 1s24 n GLY 24 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.85 4.70 -1.35 1.61 3.01 -0.42 -4.98 117.46 119.18 1s24 n PHE 25 Ca 0.00 -2.92 -0.36 0.00 1.01 0.00 0.00 57.45 55.18 1s24 n PHE 25 Cb 0.00 -2.57 0.07 0.00 -0.01 0.00 0.00 39.48 36.97 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 6.11 2.38 -1.54 4.37 5.66 -1.26 -3.69 114.28 126.31 1s24 n THR 26 Ca 0.47 -0.41 -0.28 0.00 -3.05 0.00 0.00 64.05 60.79 1s24 n THR 26 Cb 0.45 -0.90 -0.09 0.00 -1.55 0.00 0.00 70.33 68.25 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 -1.11 0.60 0.00 1.09 -0.02 -1.26 -1.24 135.00 133.06 1s24 n PRO 27 Ca 0.12 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1s24 n PRO 27 Cb 0.49 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 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 6.29 0.60 3.69 -1.23 0.00 0.12 -4.81 105.19 109.84 1s24 n GLY 28 Ca 0.48 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.97 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 0.33 -4.28 2.61 -1.04 -0.37 -4.85 114.28 106.68 1s24 n THR 29 Ca 0.00 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.60 1s24 n THR 29 Cb 0.00 -1.38 -0.09 0.00 -1.82 0.00 0.00 70.33 67.05 1s24 n THR 29 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1s24 s ARG 30 N 3.16 3.08 0.25 -2.82 3.52 -1.26 -4.55 118.95 120.33 1s24 s ARG 30 Ca 0.94 -0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 56.13 1s24 s ARG 30 Cb -0.93 -2.87 0.47 0.00 -1.56 0.00 0.00 34.95 30.06 1s24 s ARG 30 CO 0.58 0.71 1.65 0.35 -0.81 0.00 0.00 175.30 177.78 1s24 h PHE 31 N 5.15 0.09 -0.83 5.12 3.57 -1.92 0.52 116.94 128.64 1s24 h PHE 31 Ca -0.51 0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.23 1s24 h PHE 31 Cb 1.20 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 1s24 h PHE 31 CO 0.65 -0.19 0.56 1.49 -2.23 0.00 0.00 178.31 178.60 1s24 h GLU 32 N 0.16 0.30 -0.54 1.11 4.81 -2.00 0.59 114.58 119.01 1s24 h GLU 32 Ca 0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1s24 h GLU 32 Cb 0.76 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1s24 h GLU 32 CO -0.61 0.20 0.00 -0.25 -0.73 0.00 0.00 179.01 177.62 1s24 n ASP 33 N -4.45 2.96 -4.26 1.04 8.00 0.18 -4.78 116.55 115.23 1s24 n ASP 33 Ca 0.17 -2.11 -0.38 0.00 0.71 0.00 0.00 54.79 53.18 1s24 n ASP 33 Cb 0.69 -0.39 -0.12 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.49 3.81 0.00 0.53 1.01 0.21 -4.87 121.20 120.40 1s24 s ILE 34 Ca 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1s24 s ILE 34 Cb 0.19 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1s24 s ILE 34 CO 0.21 -0.28 0.00 -0.81 0.00 0.00 0.00 174.94 174.05 1s24 n PRO 35 N 4.81 -0.31 0.16 2.79 -0.04 -1.26 -4.89 135.00 136.26 1s24 n PRO 35 Ca -0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1s24 n PRO 35 Cb 0.44 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.14 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1s24 h ASP 36 N -0.85 0.00 -0.79 3.54 5.19 -1.98 -3.31 116.42 118.22 1s24 h ASP 36 Ca 0.00 -0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.54 1s24 h ASP 36 Cb 0.00 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.42 1s24 h ASP 36 CO 0.00 0.01 0.36 0.44 -3.12 0.00 0.00 179.24 176.93 1s24 h ASP 37 N 0.00 0.38 -3.96 6.45 3.32 -1.98 -3.40 116.42 117.22 1s24 h ASP 37 Ca 0.00 0.10 -0.51 0.00 0.02 0.00 0.00 57.03 56.64 1s24 h ASP 37 Cb 0.89 0.05 0.06 0.00 0.22 0.00 0.00 39.33 40.55 1s24 h ASP 37 CO 0.00 0.15 0.50 0.86 -1.72 0.00 0.00 179.24 179.03 1s24 s TRP 38 N -6.00 2.98 0.18 4.55 -0.00 -1.25 -5.03 118.94 114.38 1s24 s TRP 38 Ca -0.12 1.54 0.02 0.00 -0.00 0.00 0.00 56.10 57.54 1s24 s TRP 38 Cb 0.21 -3.40 -0.01 0.00 -0.00 0.00 0.00 33.47 30.27 1s24 s TRP 38 CO 0.77 -1.43 0.19 0.00 -0.00 0.00 0.00 176.95 176.49 1s24 n PRO 41 N 2.01 0.14 -0.02 0.00 -0.04 -1.26 -2.41 135.00 133.42 1s24 n PRO 41 Ca 0.02 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1s24 n PRO 41 Cb 0.45 -1.73 -0.09 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.99 2.38 0.00 3.54 9.92 -1.26 -4.90 116.55 124.24 1s24 n ASP 42 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1s24 n ASP 42 Cb 0.26 1.22 0.00 0.00 -0.64 0.00 0.00 41.12 41.96 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 3.04 1.16 0.00 0.00 0.00 -1.01 -4.92 105.19 103.46 1s24 n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.55 4.61 0.00 -1.26 -4.79 120.51 117.51 1s24 n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s24 n ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.29 0.00 0.47 0.00 -2.24 -1.26 -3.46 114.28 107.50 1s24 n THR 46 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1s24 n THR 46 Cb 0.00 -1.56 0.29 0.00 -2.10 0.00 0.00 70.33 66.96 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 -0.25 0.01 -0.24 -0.78 4.01 -1.26 -3.27 118.16 116.37 1s24 n LYS 47 Ca 0.00 0.26 0.04 0.00 -0.51 0.00 0.00 58.31 58.10 1s24 n LYS 47 Cb 0.00 -1.50 0.16 0.00 -0.51 0.00 0.00 35.03 33.18 1s24 n LYS 47 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1s24 h GLU 48 N 0.00 0.42 0.00 1.97 4.81 -2.01 0.39 114.58 120.17 1s24 h GLU 48 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1s24 h GLU 48 Cb 0.23 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1s24 h GLU 48 CO 0.00 0.28 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.09 1s24 h ASP 49 N 0.44 0.00 -3.12 1.04 5.19 -1.93 -3.43 116.42 114.61 1s24 h ASP 49 Ca 0.38 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 56.19 1s24 h ASP 49 Cb 0.55 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.97 1s24 h ASP 49 CO -0.38 0.03 -0.32 -0.31 -3.12 0.00 0.00 179.24 175.15 1s24 s TYR 50 N -3.63 3.55 0.28 4.55 2.02 0.14 -0.96 117.35 123.30 1s24 s TYR 50 Ca 0.02 0.68 0.02 0.00 -0.37 0.00 0.00 57.07 57.42 1s24 s TYR 50 Cb 0.09 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 1s24 s TYR 50 CO 0.57 0.42 0.12 0.14 -1.57 0.00 0.00 175.55 175.22 1s24 s VAL 51 N -0.14 0.50 -0.21 0.71 -7.23 -0.84 -4.89 120.40 108.29 1s24 s VAL 51 Ca 0.18 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1s24 s VAL 51 Cb -0.14 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1s24 s VAL 51 CO 0.06 0.00 1.27 -0.22 -0.31 0.00 0.00 175.10 175.90 1s24 s LEU 52 N -3.35 4.09 -0.38 1.32 1.98 -1.26 -1.58 118.68 119.49 1s24 s LEU 52 Ca 0.36 1.53 -0.27 0.00 -2.89 0.00 0.00 54.13 52.87 1s24 s LEU 52 Cb 0.07 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.33 1s24 s LEU 52 CO 0.15 -0.85 2.14 -0.47 -1.89 0.00 0.00 176.35 175.43 1s24 s TYR 53 N 3.76 1.34 -0.26 5.38 5.04 -1.10 -4.87 117.35 126.64 1s24 s TYR 53 Ca 0.55 0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 56.07 1s24 s TYR 53 Cb -0.20 -3.88 0.11 0.00 0.35 0.00 0.00 41.96 38.34 1s24 s TYR 53 CO 0.17 -3.11 0.23 -1.21 -1.34 0.00 0.00 175.55 170.29 1s24 s GLU 54 N 6.92 0.24 -0.07 4.97 2.02 -1.26 -4.96 118.70 126.55 1s24 s GLU 54 Ca 0.91 -0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.74 1s24 s GLU 54 Cb -0.23 -1.00 0.02 0.00 0.10 0.00 0.00 34.13 33.03 1s24 s GLU 54 CO 0.30 -0.88 0.19 -1.21 0.02 0.00 0.00 175.26 173.67 1s24 s GLU 55 N 2.29 0.20 0.00 1.61 8.01 -1.26 -5.25 118.70 124.30 1s24 s GLU 55 Ca 0.08 0.30 0.16 0.00 0.01 0.00 0.00 54.97 55.53 1s24 s GLU 55 Cb -0.15 0.05 0.13 0.00 -4.31 0.00 0.00 34.13 29.85 1s24 s GLU 55 CO -0.26 -0.06 1.01 1.63 0.01 0.00 0.00 175.26 177.60