#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 2.64 0.68 0.00 2.02 -1.26 -5.11 117.35 116.32 1s24 s TYR 2 Ca 0.00 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.19 1s24 s TYR 2 Cb 0.00 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1s24 s TYR 2 CO 0.00 -0.01 1.05 -0.51 -1.57 0.00 0.00 175.55 174.51 1s24 s LEU 3 N -0.35 2.95 -0.04 -1.29 1.02 -1.26 -4.86 118.68 114.85 1s24 s LEU 3 Ca 0.03 0.96 0.01 0.00 0.02 0.00 0.00 54.13 55.15 1s24 s LEU 3 Cb -0.12 -3.73 0.02 0.00 0.02 0.00 0.00 46.19 42.38 1s24 s LEU 3 CO 0.02 -1.33 -0.03 -0.54 0.02 0.00 0.00 176.35 174.50 1s24 s LYS 4 N -5.28 0.64 0.48 1.70 1.02 -1.26 -2.74 119.74 114.30 1s24 s LYS 4 Ca 0.57 -0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.60 1s24 s LYS 4 Cb -0.11 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 1s24 s LYS 4 CO 0.49 -0.10 0.43 -1.58 -0.92 0.00 0.00 175.35 173.67 1s24 s TRP 5 N 0.94 2.20 -0.03 3.18 0.52 -0.80 -2.45 118.94 122.50 1s24 s TRP 5 Ca -0.11 -0.64 -0.00 0.00 0.02 0.00 0.00 56.10 55.37 1s24 s TRP 5 Cb -0.14 -2.09 0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1s24 s TRP 5 CO -0.00 -0.35 0.03 -1.50 0.02 0.00 0.00 176.95 175.14 1s24 s ILE 6 N -2.60 0.03 -1.05 2.03 1.10 0.01 0.34 121.20 121.07 1s24 s ILE 6 Ca 0.45 0.21 -0.22 0.00 -0.51 0.00 0.00 60.65 60.58 1s24 s ILE 6 Cb -0.03 -0.19 0.02 0.00 0.15 0.00 0.00 42.46 42.42 1s24 s ILE 6 CO 0.27 0.14 1.65 0.00 -2.11 0.00 0.00 174.94 174.88 1s24 h ILE 8 N 6.65 0.25 0.00 0.00 3.07 -1.23 1.57 117.51 127.81 1s24 h ILE 8 Ca 0.22 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.55 1s24 h ILE 8 Cb 0.98 0.46 -0.01 0.00 -0.27 0.00 0.00 36.82 37.97 1s24 h ILE 8 CO 1.37 0.00 -0.40 0.74 -1.05 0.00 0.00 178.15 178.81 1s24 h THR 9 N 0.00 1.16 0.00 0.16 2.02 -1.87 -3.39 112.91 111.00 1s24 h THR 9 Ca 0.28 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1s24 h THR 9 Cb 1.62 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1s24 h THR 9 CO -0.00 0.40 -0.81 0.00 0.37 0.00 0.00 175.52 175.48 1s24 n GLY 11 N 2.76 1.25 3.75 0.00 0.00 0.44 -5.01 105.19 108.37 1s24 n GLY 11 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.92 3.67 -0.18 1.61 3.76 -1.26 -4.69 115.29 116.27 1s24 s HIS 12 Ca 0.00 1.70 -0.15 0.00 -0.15 0.00 0.00 55.06 56.46 1s24 s HIS 12 Cb 0.00 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1s24 s HIS 12 CO 0.00 -0.36 0.36 0.42 -0.85 0.00 0.00 174.74 174.30 1s24 s ILE 13 N -0.69 5.25 -0.19 0.60 1.01 -1.26 -1.18 121.20 124.74 1s24 s ILE 13 Ca 0.46 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.47 1s24 s ILE 13 Cb -0.29 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1s24 s ILE 13 CO 0.36 0.31 1.03 -0.47 0.00 0.00 0.00 174.94 176.18 1s24 s TYR 14 N 0.94 3.38 -0.48 3.97 5.04 0.15 -4.86 117.35 125.49 1s24 s TYR 14 Ca 0.18 1.50 -0.16 0.00 -2.44 0.00 0.00 57.07 56.15 1s24 s TYR 14 Cb -0.14 -3.25 0.07 0.00 0.35 0.00 0.00 41.96 38.99 1s24 s TYR 14 CO 0.07 -0.43 0.44 0.34 -1.34 0.00 0.00 175.55 174.63 1s24 s ASP 15 N 1.18 6.16 0.61 4.32 2.15 -1.26 -1.91 116.67 127.92 1s24 s ASP 15 Ca 0.45 -1.29 0.27 0.00 0.43 0.00 0.00 52.55 52.42 1s24 s ASP 15 Cb -0.16 -2.20 1.30 0.00 -0.30 0.00 0.00 42.92 41.55 1s24 s ASP 15 CO 0.10 -0.70 1.72 -0.33 -0.17 0.00 0.00 175.17 175.79 1s24 h GLU 16 N 8.80 0.00 -0.70 4.34 5.08 -1.75 1.05 114.58 131.39 1s24 h GLU 16 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1s24 h GLU 16 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1s24 h GLU 16 CO 0.90 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 1s24 n ALA 17 N -2.19 3.06 -2.66 3.43 0.00 -1.26 -0.96 120.51 119.92 1s24 n ALA 17 Ca 0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 53.44 52.58 1s24 n ALA 17 Cb 0.82 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 0.38 -1.17 0.00 0.00 7.94 0.36 -4.50 117.00 120.00 1s24 n LEU 18 Ca 0.14 -1.83 0.00 0.00 -1.11 0.00 0.00 56.01 53.21 1s24 n LEU 18 Cb 0.65 0.90 0.00 0.00 0.53 0.00 0.00 43.42 45.50 1s24 n LEU 18 CO 0.15 1.31 0.00 0.61 -1.11 0.00 0.00 177.39 178.35 1s24 n GLY 19 N -0.15 -2.67 3.94 -3.96 0.00 -0.96 -4.55 105.19 96.84 1s24 n GLY 19 Ca -0.19 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.82 5.57 -0.08 1.61 2.15 -1.26 -4.93 116.67 117.91 1s24 s ASP 20 Ca 0.00 0.47 0.13 0.00 0.43 0.00 0.00 52.55 53.58 1s24 s ASP 20 Cb 0.00 -1.50 -0.19 0.00 -0.30 0.00 0.00 42.92 40.92 1s24 s ASP 20 CO 0.00 -0.99 0.17 -0.62 -0.17 0.00 0.00 175.17 173.56 1s24 n GLU 21 N -2.41 1.18 0.12 4.34 1.02 -1.26 -1.66 120.64 121.96 1s24 n GLU 21 Ca 0.04 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 1s24 n GLU 21 Cb 0.58 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.97 -0.38 0.00 0.62 0.00 -1.97 -3.12 119.26 115.38 1s24 h ALA 22 Ca -0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1s24 h ALA 22 Cb 1.31 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1s24 h ALA 22 CO 0.01 -0.42 -0.00 1.49 0.00 0.00 0.00 179.25 180.33 1s24 h GLU 23 N -0.97 0.00 0.00 0.00 4.57 -2.01 -3.45 114.58 112.73 1s24 h GLU 23 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1s24 h GLU 23 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1s24 h GLU 23 CO 0.06 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.31 1s24 n GLY 24 N -1.13 1.73 3.31 1.92 0.00 -1.18 -4.99 105.19 104.86 1s24 n GLY 24 Ca -0.03 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.39 3.10 -1.60 1.61 3.01 -0.67 -4.94 117.46 116.58 1s24 n PHE 25 Ca 0.00 -2.13 -0.36 0.00 1.01 0.00 0.00 57.45 55.97 1s24 n PHE 25 Cb 0.04 -2.37 0.08 0.00 -0.01 0.00 0.00 39.48 37.22 1s24 n PHE 25 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1s24 s THR 26 N 6.53 2.04 -0.78 4.37 -1.32 -1.26 -3.49 115.64 121.73 1s24 s THR 26 Ca 0.59 0.02 -0.24 0.00 -1.21 0.00 0.00 61.69 60.85 1s24 s THR 26 Cb 0.07 -2.88 -0.17 0.00 -1.51 0.00 0.00 72.50 68.01 1s24 s THR 26 CO 0.08 -0.01 2.43 -2.65 -2.21 0.00 0.00 174.62 172.26 1s24 n PRO 27 N -2.22 0.49 0.00 7.08 -0.02 -1.26 -1.74 135.00 137.33 1s24 n PRO 27 Ca 0.15 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1s24 n PRO 27 Cb 0.49 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 6.25 0.44 3.71 -1.23 0.00 -0.14 -4.88 105.19 109.34 1s24 n GLY 28 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 2.78 0.04 2.61 2.01 -0.71 -4.93 115.64 117.44 1s24 s THR 29 Ca 0.00 0.51 0.07 0.00 0.31 0.00 0.00 61.69 62.58 1s24 s THR 29 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1s24 s THR 29 CO 0.00 0.03 -0.18 0.00 -0.69 0.00 0.00 174.62 173.78 1s24 s ARG 30 N 1.44 2.05 0.24 4.92 1.70 -1.26 -4.55 118.95 123.49 1s24 s ARG 30 Ca 0.70 -0.99 -0.07 0.00 -0.47 0.00 0.00 55.73 54.90 1s24 s ARG 30 Cb -0.42 -2.18 0.41 0.00 -0.57 0.00 0.00 34.95 32.19 1s24 s ARG 30 CO 0.31 0.54 1.66 0.35 -1.08 0.00 0.00 175.30 177.07 1s24 h PHE 31 N 4.53 0.04 -0.98 5.89 3.57 -1.94 0.43 116.94 128.47 1s24 h PHE 31 Ca -0.48 0.05 0.25 0.00 3.53 0.00 0.00 57.97 61.33 1s24 h PHE 31 Cb 1.15 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.92 1s24 h PHE 31 CO 0.53 -0.18 0.66 1.49 -2.23 0.00 0.00 178.31 178.58 1s24 h GLU 32 N 0.15 0.26 -0.57 1.11 4.81 -2.02 1.23 114.58 119.55 1s24 h GLU 32 Ca 0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1s24 h GLU 32 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1s24 h GLU 32 CO -0.59 0.17 0.00 -3.47 -0.73 0.00 0.00 179.01 174.39 1s24 n ASP 33 N -4.45 3.15 -3.18 1.04 2.03 0.15 -4.44 116.55 110.84 1s24 n ASP 33 Ca 0.22 -2.19 -0.29 0.00 0.52 0.00 0.00 54.79 53.05 1s24 n ASP 33 Cb 0.88 -0.42 -0.04 0.00 -0.72 0.00 0.00 41.12 40.82 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 0.81 3.33 0.39 5.18 5.41 0.42 -4.81 119.36 130.10 1s24 n ILE 34 Ca 0.17 -5.56 0.12 0.00 1.00 0.00 0.00 62.75 58.48 1s24 n ILE 34 Cb 0.56 -1.62 0.50 0.00 -0.71 0.00 0.00 39.64 38.37 1s24 n ILE 34 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1s24 n PRO 35 N 0.10 0.20 0.00 0.38 -0.04 -1.26 -4.74 135.00 129.64 1s24 n PRO 35 Ca 0.32 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1s24 n PRO 35 Cb 0.38 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.25 0.00 -2.20 3.54 -0.08 -1.26 -4.88 116.55 109.42 1s24 n ASP 36 Ca 0.02 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.00 1s24 n ASP 36 Cb 0.23 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.75 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1s24 n ASP 37 N 0.00 6.58 -4.70 1.67 5.68 -1.26 -5.03 116.55 119.49 1s24 n ASP 37 Ca 0.00 -3.77 -0.39 0.00 -0.50 0.00 0.00 54.79 50.13 1s24 n ASP 37 Cb 0.00 -0.74 0.04 0.00 -1.14 0.00 0.00 41.12 39.27 1s24 n ASP 37 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1s24 n TRP 38 N -0.85 1.84 -4.32 2.11 -0.00 -1.26 -5.01 117.44 109.95 1s24 n TRP 38 Ca 0.56 0.45 -0.19 0.00 -0.00 0.00 0.00 57.50 58.32 1s24 n TRP 38 Cb 0.79 -2.30 -0.07 0.00 -0.00 0.00 0.00 31.31 29.73 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 -1.43 0.26 -1.43 0.00 -0.04 -1.26 -3.59 135.00 127.50 1s24 n PRO 41 Ca 0.13 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 1s24 n PRO 41 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.26 -0.67 0.12 3.54 8.00 -1.26 -4.99 116.55 120.03 1s24 n ASP 42 Ca 0.08 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1s24 n ASP 42 Cb 0.12 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 1.32 1.65 4.03 0.00 0.00 -1.25 -4.96 105.19 105.97 1s24 n GLY 44 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 4.58 0.00 4.61 0.00 -1.26 -4.86 121.76 122.83 1s24 s ALA 45 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.93 1s24 s ALA 45 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1s24 s ALA 45 CO 0.00 -0.84 0.00 0.25 0.00 0.00 0.00 175.76 175.17 1s24 n THR 46 N -2.25 0.00 -0.16 0.00 -2.24 -1.26 -3.66 114.28 104.71 1s24 n THR 46 Ca 0.14 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.14 1s24 n THR 46 Cb 0.61 -0.32 0.60 0.00 -2.10 0.00 0.00 70.33 69.13 1s24 n THR 46 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1s24 h LYS 47 N 0.00 0.21 -1.07 -0.78 2.10 -1.87 0.09 116.57 115.25 1s24 h LYS 47 Ca 0.00 -0.01 0.29 0.00 -2.00 0.00 0.00 60.65 58.93 1s24 h LYS 47 Cb 0.00 -0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 31.21 1s24 h LYS 47 CO 0.00 0.14 0.72 1.49 -2.00 0.00 0.00 179.45 179.80 1s24 h GLU 48 N 0.21 0.23 0.00 0.07 4.22 -2.01 0.63 114.58 117.93 1s24 h GLU 48 Ca 0.39 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.67 1s24 h GLU 48 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1s24 h GLU 48 CO -0.08 0.15 -0.98 -0.44 -2.18 0.00 0.00 179.01 175.47 1s24 h ASP 49 N 0.24 0.00 -3.37 1.04 5.19 -1.34 -3.45 116.42 114.73 1s24 h ASP 49 Ca 0.57 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 56.39 1s24 h ASP 49 Cb 1.75 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 41.17 1s24 h ASP 49 CO -0.18 0.62 -0.14 -0.31 -3.12 0.00 0.00 179.24 176.10 1s24 s TYR 50 N -2.90 3.46 0.29 4.55 2.02 0.22 -0.68 117.35 124.31 1s24 s TYR 50 Ca 0.00 0.80 0.12 0.00 -0.37 0.00 0.00 57.07 57.62 1s24 s TYR 50 Cb 0.08 -2.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.04 1s24 s TYR 50 CO 0.78 0.09 -0.17 0.08 -1.57 0.00 0.00 175.55 174.76 1s24 s VAL 51 N 0.92 2.52 -0.61 0.71 1.01 -0.05 -4.82 120.40 120.07 1s24 s VAL 51 Ca 0.24 -2.35 -0.28 0.00 0.00 0.00 0.00 61.98 59.59 1s24 s VAL 51 Cb -0.15 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1s24 s VAL 51 CO 0.09 -0.37 1.42 -0.22 0.00 0.00 0.00 175.10 176.02 1s24 s LEU 52 N -3.53 3.33 -0.53 3.92 1.98 -1.26 -0.81 118.68 121.78 1s24 s LEU 52 Ca 0.30 0.10 -0.26 0.00 -2.89 0.00 0.00 54.13 51.39 1s24 s LEU 52 Cb -0.04 -2.88 -0.08 0.00 0.66 0.00 0.00 46.19 43.85 1s24 s LEU 52 CO 0.16 -1.80 2.42 0.00 -1.89 0.00 0.00 176.35 175.24 1s24 n TYR 53 N 9.82 1.38 -3.14 5.38 9.36 -1.03 -3.73 117.16 135.21 1s24 n TYR 53 Ca 0.11 0.11 -0.20 0.00 3.32 0.00 0.00 57.90 61.24 1s24 n TYR 53 Cb 0.49 -2.63 0.02 0.00 -0.63 0.00 0.00 39.34 36.60 1s24 n TYR 53 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1s24 n GLU 54 N 8.97 -2.14 -1.20 2.98 4.07 -1.26 -4.88 120.64 127.18 1s24 n GLU 54 Ca 0.39 1.80 -0.29 0.00 -0.06 0.00 0.00 57.16 58.99 1s24 n GLU 54 Cb 0.53 -3.83 0.16 0.00 -0.06 0.00 0.00 31.44 28.23 1s24 n GLU 54 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1s24 s GLU 55 N -2.36 0.81 0.00 5.31 -1.05 -1.24 -5.07 118.70 115.10 1s24 s GLU 55 Ca 0.27 0.64 0.18 0.00 -0.15 0.00 0.00 54.97 55.92 1s24 s GLU 55 Cb -0.05 -1.77 0.15 0.00 -0.44 0.00 0.00 34.13 32.02 1s24 s GLU 55 CO 0.76 -2.50 1.08 1.17 0.95 0.00 0.00 175.26 176.73