#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 3.33 0.70 0.00 2.02 -1.26 -5.03 117.35 117.12 1s24 s TYR 2 Ca 0.00 1.40 -0.06 0.00 -0.37 0.00 0.00 57.07 58.04 1s24 s TYR 2 Cb 0.00 -3.51 0.15 0.00 -0.40 0.00 0.00 41.96 38.20 1s24 s TYR 2 CO 0.00 -1.43 0.96 1.28 -1.57 0.00 0.00 175.55 174.79 1s24 n LEU 3 N 2.03 0.00 -3.89 -1.29 4.32 -1.26 -4.83 117.00 112.08 1s24 n LEU 3 Ca 0.03 -1.57 -0.11 0.00 -0.02 0.00 0.00 56.01 54.34 1s24 n LEU 3 Cb 0.44 -0.68 -0.11 0.00 -1.62 0.00 0.00 43.42 41.45 1s24 n LEU 3 CO 0.57 -1.07 -0.24 -0.54 -1.22 0.00 0.00 177.39 174.88 1s24 s LYS 4 N -5.01 0.32 -0.09 3.23 1.02 -1.26 -2.47 119.74 115.49 1s24 s LYS 4 Ca 0.59 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1s24 s LYS 4 Cb -0.03 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1s24 s LYS 4 CO 0.40 -0.07 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.11 1s24 s TRP 5 N -0.92 1.36 -0.13 3.18 0.52 -0.78 0.55 118.94 122.72 1s24 s TRP 5 Ca -0.10 -0.60 -0.04 0.00 0.02 0.00 0.00 56.10 55.38 1s24 s TRP 5 Cb -0.06 -1.11 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 1s24 s TRP 5 CO 0.00 -0.41 0.01 -1.50 0.02 0.00 0.00 176.95 175.07 1s24 s ILE 6 N 1.37 4.33 -0.85 2.03 -1.16 0.12 0.71 121.20 127.75 1s24 s ILE 6 Ca -0.02 -0.22 -0.25 0.00 -0.51 0.00 0.00 60.65 59.65 1s24 s ILE 6 Cb -0.14 -2.88 0.04 0.00 0.61 0.00 0.00 42.46 40.09 1s24 s ILE 6 CO -0.04 0.54 1.35 0.00 -2.81 0.00 0.00 174.94 173.98 1s24 h ILE 8 N 6.34 0.17 0.00 0.00 3.07 -1.27 1.12 117.51 126.94 1s24 h ILE 8 Ca -0.09 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.19 1s24 h ILE 8 Cb 1.03 0.66 -0.02 0.00 -0.27 0.00 0.00 36.82 38.23 1s24 h ILE 8 CO 1.34 0.00 -0.64 0.74 -1.05 0.00 0.00 178.15 178.54 1s24 h THR 9 N 0.00 1.27 0.00 0.16 2.02 -1.88 -3.39 112.91 111.09 1s24 h THR 9 Ca 0.08 -2.32 -0.10 0.00 0.77 0.00 0.00 66.41 64.84 1s24 h THR 9 Cb 0.84 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 1s24 h THR 9 CO -0.00 0.62 -1.27 0.00 0.37 0.00 0.00 175.52 175.25 1s24 n GLY 11 N 2.62 1.62 3.70 0.00 0.00 0.34 -5.03 105.19 108.45 1s24 n GLY 11 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 3.35 -0.07 1.61 3.76 -1.26 -4.86 115.29 115.82 1s24 s HIS 12 Ca 0.00 0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 55.01 1s24 s HIS 12 Cb 0.00 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.56 1s24 s HIS 12 CO 0.00 0.29 0.33 0.42 -0.85 0.00 0.00 174.74 174.93 1s24 s ILE 13 N 0.15 5.21 -0.17 0.60 1.01 -1.26 -1.23 121.20 125.51 1s24 s ILE 13 Ca 0.07 0.64 -0.10 0.00 0.00 0.00 0.00 60.65 61.26 1s24 s ILE 13 Cb -0.12 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1s24 s ILE 13 CO -0.00 0.52 0.16 -0.47 0.00 0.00 0.00 174.94 175.15 1s24 s TYR 14 N -0.55 3.47 -0.32 3.97 5.04 0.22 -4.90 117.35 124.28 1s24 s TYR 14 Ca 0.20 0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 55.19 1s24 s TYR 14 Cb -0.15 -2.13 0.03 0.00 0.35 0.00 0.00 41.96 40.06 1s24 s TYR 14 CO 0.09 0.40 0.09 0.34 -1.34 0.00 0.00 175.55 175.12 1s24 s ASP 15 N 0.02 5.20 0.61 4.32 2.15 -1.26 -1.87 116.67 125.84 1s24 s ASP 15 Ca 0.11 -1.01 0.28 0.00 0.43 0.00 0.00 52.55 52.35 1s24 s ASP 15 Cb -0.12 -1.86 1.41 0.00 -0.30 0.00 0.00 42.92 42.06 1s24 s ASP 15 CO 0.00 -0.28 1.82 -0.33 -0.17 0.00 0.00 175.17 176.22 1s24 h GLU 16 N 8.20 0.00 -0.66 4.34 3.07 -1.71 1.18 114.58 129.00 1s24 h GLU 16 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1s24 h GLU 16 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1s24 h GLU 16 CO 0.60 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.21 1s24 n ALA 17 N -2.18 3.20 -2.66 3.43 0.00 -1.26 -1.49 120.51 119.54 1s24 n ALA 17 Ca 0.06 -1.20 -0.04 0.00 0.00 0.00 0.00 53.44 52.26 1s24 n ALA 17 Cb 0.67 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 0.56 -1.25 0.00 0.00 7.94 0.41 -4.66 117.00 120.01 1s24 n LEU 18 Ca 0.18 -1.75 0.00 0.00 -1.11 0.00 0.00 56.01 53.34 1s24 n LEU 18 Cb 0.78 0.59 0.00 0.00 0.53 0.00 0.00 43.42 45.33 1s24 n LEU 18 CO 0.20 1.57 0.00 0.61 -1.11 0.00 0.00 177.39 178.66 1s24 n GLY 19 N 1.41 0.89 3.85 -3.96 0.00 -1.06 -4.10 105.19 102.22 1s24 n GLY 19 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.00 6.18 -0.17 1.61 -1.08 -1.26 -4.93 116.67 116.01 1s24 s ASP 20 Ca 0.00 1.50 0.10 0.00 -0.52 0.00 0.00 52.55 53.64 1s24 s ASP 20 Cb 0.00 -2.49 -0.18 0.00 -1.46 0.00 0.00 42.92 38.80 1s24 s ASP 20 CO 0.00 -0.90 -0.02 -0.62 0.52 0.00 0.00 175.17 174.15 1s24 n GLU 21 N -2.49 1.09 0.03 4.34 -0.58 -1.26 -2.51 120.64 119.25 1s24 n GLU 21 Ca 0.06 0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.65 1s24 n GLU 21 Cb 0.54 -1.41 -0.14 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.53 -0.07 -0.62 0.62 0.00 -1.98 -3.29 119.26 114.45 1s24 h ALA 22 Ca -0.44 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 53.86 1s24 h ALA 22 Cb 1.90 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 1s24 h ALA 22 CO -0.01 0.30 0.41 1.49 0.00 0.00 0.00 179.25 181.44 1s24 h GLU 23 N -0.50 0.63 0.00 0.00 4.81 -2.00 -3.45 114.58 114.07 1s24 h GLU 23 Ca -0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1s24 h GLU 23 Cb 1.52 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1s24 h GLU 23 CO 0.12 0.42 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 1s24 n GLY 24 N -1.47 1.53 3.50 1.92 0.00 -1.24 -5.01 105.19 104.42 1s24 n GLY 24 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.96 2.17 -1.43 1.61 3.01 -1.04 -4.92 117.46 115.90 1s24 n PHE 25 Ca 0.00 -1.26 -0.37 0.00 1.01 0.00 0.00 57.45 56.83 1s24 n PHE 25 Cb 0.00 -2.39 0.06 0.00 -0.01 0.00 0.00 39.48 37.14 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 7.71 2.64 -1.64 4.37 5.66 -1.26 -3.91 114.28 127.85 1s24 n THR 26 Ca 0.45 -0.45 -0.44 0.00 -3.05 0.00 0.00 64.05 60.57 1s24 n THR 26 Cb 0.45 -0.90 -0.03 0.00 -1.55 0.00 0.00 70.33 68.30 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 -0.85 2.45 0.00 1.09 -0.02 -1.26 -2.00 135.00 134.40 1s24 n PRO 27 Ca 0.12 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1s24 n PRO 27 Cb 0.49 -3.01 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 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 4.96 1.40 3.65 -1.23 0.00 -0.56 -4.98 105.19 108.43 1s24 n GLY 28 Ca 0.24 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.79 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 0.46 -4.55 2.61 -1.04 -0.85 -4.89 114.28 106.03 1s24 n THR 29 Ca 0.00 -0.11 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1s24 n THR 29 Cb 0.00 -1.33 -0.12 0.00 -1.82 0.00 0.00 70.33 67.06 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 0.20 2.06 0.45 -2.82 0.52 -1.26 -4.52 118.95 113.59 1s24 s ARG 30 Ca 0.75 -1.00 0.23 0.00 -0.52 0.00 0.00 55.73 55.19 1s24 s ARG 30 Cb -0.73 -2.21 1.22 0.00 0.52 0.00 0.00 34.95 33.75 1s24 s ARG 30 CO 0.45 0.53 1.84 0.35 0.02 0.00 0.00 175.30 178.50 1s24 h PHE 31 N 4.32 0.39 -0.27 -0.53 3.57 -1.93 -0.62 116.94 121.87 1s24 h PHE 31 Ca -0.48 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.09 1s24 h PHE 31 Cb 1.16 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 1s24 h PHE 31 CO 0.55 0.08 -0.13 1.49 -2.23 0.00 0.00 178.31 178.08 1s24 h GLU 32 N 0.27 -0.09 0.00 1.11 4.57 -1.99 0.40 114.58 118.86 1s24 h GLU 32 Ca 0.49 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 1s24 h GLU 32 Cb 1.44 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1s24 h GLU 32 CO -0.15 -0.06 0.00 -3.47 -1.18 0.00 0.00 179.01 174.16 1s24 n ASP 33 N -5.30 0.00 -4.26 1.04 2.03 -0.26 -4.31 116.55 105.48 1s24 n ASP 33 Ca -0.00 0.28 -0.44 0.00 0.52 0.00 0.00 54.79 55.15 1s24 n ASP 33 Cb 0.21 -0.39 -0.05 0.00 -0.72 0.00 0.00 41.12 40.17 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 -2.78 4.92 0.00 5.18 1.01 0.14 -4.98 121.20 124.68 1s24 s ILE 34 Ca 0.11 -2.15 0.00 0.00 0.00 0.00 0.00 60.65 58.60 1s24 s ILE 34 Cb 0.10 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1s24 s ILE 34 CO 0.25 -0.91 0.04 -0.81 0.00 0.00 0.00 174.94 173.51 1s24 n PRO 35 N 4.42 0.00 0.00 2.79 -0.04 -1.26 -4.89 135.00 136.02 1s24 n PRO 35 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1s24 n PRO 35 Cb 0.42 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 1s24 n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1s24 n ASP 36 N -0.07 1.66 -0.09 3.54 2.03 -1.26 -4.85 116.55 117.51 1s24 n ASP 36 Ca 0.00 -0.03 -0.09 0.00 0.52 0.00 0.00 54.79 55.20 1s24 n ASP 36 Cb 0.00 0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1s24 h ASP 37 N 0.00 -1.12 -4.31 1.67 3.58 -1.98 -3.41 116.42 110.85 1s24 h ASP 37 Ca 0.00 0.18 -0.51 0.00 0.42 0.00 0.00 57.03 57.12 1s24 h ASP 37 Cb 0.00 0.51 0.13 0.00 1.72 0.00 0.00 39.33 41.69 1s24 h ASP 37 CO 0.00 -0.34 0.32 0.86 -2.88 0.00 0.00 179.24 177.20 1s24 s TRP 38 N -5.97 2.58 0.31 0.28 -0.00 -1.26 -5.05 118.94 109.83 1s24 s TRP 38 Ca -0.15 1.55 -0.19 0.00 -0.00 0.00 0.00 56.10 57.32 1s24 s TRP 38 Cb 0.12 -3.05 0.05 0.00 -0.00 0.00 0.00 33.47 30.60 1s24 s TRP 38 CO 0.67 -1.79 0.84 0.00 -0.00 0.00 0.00 176.95 176.67 1s24 h PRO 41 N 0.35 0.00 -0.76 0.00 0.13 -2.01 -3.33 132.00 126.37 1s24 h PRO 41 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1s24 h PRO 41 Cb 1.39 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.26 1s24 h PRO 41 CO 0.49 0.14 -0.76 -3.47 -0.23 0.00 0.00 178.00 174.16 1s24 n ASP 42 N -4.06 -0.81 0.00 1.44 2.03 -1.26 -4.94 116.55 108.94 1s24 n ASP 42 Ca -0.02 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.10 1s24 n ASP 42 Cb 0.22 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 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 -0.37 -0.13 1.28 0.00 0.00 -1.26 -4.92 105.19 99.79 1s24 n GLY 44 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.04 4.45 -0.20 4.61 0.00 -1.26 -4.98 120.51 119.08 1s24 n ALA 45 Ca -0.05 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1s24 n ALA 45 Cb 0.56 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.03 0.00 0.75 0.00 -2.24 -1.26 -2.72 114.28 107.79 1s24 n THR 46 Ca 0.34 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 1s24 n THR 46 Cb 0.91 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.58 1s24 n THR 46 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1s24 n LYS 47 N 0.00 0.17 -0.20 -0.78 0.00 -1.26 -3.98 118.16 112.11 1s24 n LYS 47 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1s24 n LYS 47 Cb 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 35.03 33.43 1s24 n LYS 47 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1s24 h GLU 48 N 0.00 0.07 0.00 1.64 4.22 -1.96 0.35 114.58 118.89 1s24 h GLU 48 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1s24 h GLU 48 Cb 0.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1s24 h GLU 48 CO 0.00 0.05 0.00 -0.44 -2.18 0.00 0.00 179.01 176.44 1s24 h ASP 49 N 0.07 0.00 -3.13 1.04 5.19 -1.67 -3.44 116.42 114.48 1s24 h ASP 49 Ca 0.31 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 56.12 1s24 h ASP 49 Cb 0.49 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.93 1s24 h ASP 49 CO -0.55 0.00 -0.21 -0.31 -3.12 0.00 0.00 179.24 175.05 1s24 s TYR 50 N -3.24 3.63 0.07 4.55 2.02 0.12 -0.74 117.35 123.75 1s24 s TYR 50 Ca 0.07 0.89 0.05 0.00 -0.37 0.00 0.00 57.07 57.71 1s24 s TYR 50 Cb 0.10 -2.35 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1s24 s TYR 50 CO 0.56 0.46 -0.13 0.08 -1.57 0.00 0.00 175.55 174.96 1s24 s VAL 51 N -0.41 1.02 0.08 0.71 1.01 -0.39 -4.88 120.40 117.54 1s24 s VAL 51 Ca 0.23 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.62 1s24 s VAL 51 Cb -0.16 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1s24 s VAL 51 CO 0.11 -0.26 1.70 -0.22 0.00 0.00 0.00 175.10 176.43 1s24 s LEU 52 N -1.73 4.37 -0.63 3.92 1.98 -1.26 -0.70 118.68 124.63 1s24 s LEU 52 Ca -0.03 2.56 -0.27 0.00 -2.89 0.00 0.00 54.13 53.50 1s24 s LEU 52 Cb -0.10 -3.56 -0.01 0.00 0.66 0.00 0.00 46.19 43.18 1s24 s LEU 52 CO 0.02 -0.92 1.74 -0.47 -1.89 0.00 0.00 176.35 174.83 1s24 s TYR 53 N 2.66 1.80 -0.25 5.38 5.04 0.19 -4.85 117.35 127.32 1s24 s TYR 53 Ca 0.76 0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 55.97 1s24 s TYR 53 Cb -0.41 -4.20 0.10 0.00 0.35 0.00 0.00 41.96 37.80 1s24 s TYR 53 CO 0.33 -2.27 0.19 -2.00 -1.34 0.00 0.00 175.55 170.47 1s24 s GLU 54 N 6.73 0.21 0.33 4.97 2.12 -1.26 -4.73 118.70 127.07 1s24 s GLU 54 Ca 0.61 -0.19 -0.05 0.00 0.36 0.00 0.00 54.97 55.70 1s24 s GLU 54 Cb -0.12 -1.13 0.08 0.00 0.26 0.00 0.00 34.13 33.22 1s24 s GLU 54 CO 0.20 -0.89 0.45 -0.85 -0.54 0.00 0.00 175.26 173.63 1s24 n GLU 55 N 5.29 -0.39 0.00 4.30 0.28 -1.26 -5.27 120.64 123.59 1s24 n GLU 55 Ca -0.05 -0.73 0.00 0.00 -0.16 0.00 0.00 57.16 56.23 1s24 n GLU 55 Cb 0.46 -0.45 0.00 0.00 1.43 0.00 0.00 31.44 32.88 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14