#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 1.04 0.55 0.00 2.02 -1.26 -5.09 117.35 114.62 1s24 s TYR 2 Ca 0.00 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1s24 s TYR 2 Cb 0.00 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.81 1s24 s TYR 2 CO 0.00 -0.15 0.80 -0.51 -1.57 0.00 0.00 175.55 174.13 1s24 s LEU 3 N 0.38 3.31 -0.10 -1.29 1.02 -1.26 -4.90 118.68 115.85 1s24 s LEU 3 Ca -0.07 0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.39 1s24 s LEU 3 Cb -0.11 -3.13 0.02 0.00 0.02 0.00 0.00 46.19 42.99 1s24 s LEU 3 CO 0.01 -1.06 -0.12 -0.54 0.02 0.00 0.00 176.35 174.66 1s24 s LYS 4 N -4.82 1.88 0.56 1.70 1.02 -1.26 -3.01 119.74 115.82 1s24 s LYS 4 Ca 0.54 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.16 1s24 s LYS 4 Cb -0.10 -1.66 0.06 0.00 -0.52 0.00 0.00 37.83 35.61 1s24 s LYS 4 CO 0.41 -0.08 0.54 -1.58 -0.92 0.00 0.00 175.35 173.71 1s24 s TRP 5 N 1.06 1.46 -0.26 3.18 0.52 -0.70 0.50 118.94 124.71 1s24 s TRP 5 Ca -0.06 -0.83 -0.12 0.00 0.02 0.00 0.00 56.10 55.10 1s24 s TRP 5 Cb -0.15 -2.00 0.09 0.00 -1.15 0.00 0.00 33.47 30.27 1s24 s TRP 5 CO -0.02 -0.74 0.60 -1.50 0.02 0.00 0.00 176.95 175.32 1s24 s ILE 6 N -2.76 -0.31 -0.91 2.03 -1.16 -0.36 0.40 121.20 118.13 1s24 s ILE 6 Ca 0.43 0.03 -0.24 0.00 -0.51 0.00 0.00 60.65 60.36 1s24 s ILE 6 Cb -0.03 -0.90 -0.01 0.00 0.61 0.00 0.00 42.46 42.13 1s24 s ILE 6 CO 0.27 0.01 1.75 0.00 -2.81 0.00 0.00 174.94 174.17 1s24 h ILE 8 N 7.04 0.18 -0.08 0.00 3.07 -1.37 0.42 117.51 126.77 1s24 h ILE 8 Ca 0.09 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.52 1s24 h ILE 8 Cb 1.02 0.60 -0.00 0.00 -0.27 0.00 0.00 36.82 38.16 1s24 h ILE 8 CO 1.28 0.00 0.07 0.74 -1.05 0.00 0.00 178.15 179.19 1s24 h THR 9 N 0.00 0.75 0.00 0.16 2.02 -1.87 -3.36 112.91 110.61 1s24 h THR 9 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1s24 h THR 9 Cb 1.02 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1s24 h THR 9 CO -0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.74 1s24 n GLY 11 N 1.48 1.85 3.58 0.00 0.00 0.12 -5.07 105.19 107.16 1s24 n GLY 11 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s24 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s24 s HIS 12 N -2.00 3.15 -0.07 1.61 2.46 -1.24 -4.84 115.29 114.36 1s24 s HIS 12 Ca 0.00 0.48 -0.26 0.00 0.47 0.00 0.00 55.06 55.75 1s24 s HIS 12 Cb 0.00 -3.21 -0.03 0.00 -0.13 0.00 0.00 32.58 29.21 1s24 s HIS 12 CO 0.00 -0.64 0.81 0.42 -2.47 0.00 0.00 174.74 172.86 1s24 s ILE 13 N 2.84 4.96 -0.25 0.89 1.01 -1.26 -0.82 121.20 128.57 1s24 s ILE 13 Ca 0.27 1.66 -0.18 0.00 0.00 0.00 0.00 60.65 62.40 1s24 s ILE 13 Cb -0.14 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1s24 s ILE 13 CO 0.15 0.18 0.54 -0.47 0.00 0.00 0.00 174.94 175.33 1s24 s TYR 14 N 1.15 3.29 -0.49 3.97 5.04 0.16 -4.92 117.35 125.55 1s24 s TYR 14 Ca 0.42 0.70 -0.16 0.00 -2.44 0.00 0.00 57.07 55.58 1s24 s TYR 14 Cb -0.18 -2.73 0.08 0.00 0.35 0.00 0.00 41.96 39.48 1s24 s TYR 14 CO 0.20 -0.25 0.45 -0.51 -1.34 0.00 0.00 175.55 174.10 1s24 s ASP 15 N 1.46 6.17 0.59 4.32 1.11 -1.26 -1.72 116.67 127.33 1s24 s ASP 15 Ca 0.23 -1.38 0.31 0.00 0.18 0.00 0.00 52.55 51.88 1s24 s ASP 15 Cb -0.16 -2.21 1.35 0.00 1.07 0.00 0.00 42.92 42.98 1s24 s ASP 15 CO 0.09 -0.73 1.70 -0.33 1.18 0.00 0.00 175.17 177.07 1s24 h GLU 16 N 8.82 0.00 -0.70 8.23 5.08 -1.74 1.10 114.58 135.38 1s24 h GLU 16 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 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 0.93 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 1s24 n ALA 17 N -2.42 3.34 -2.67 3.43 0.00 -1.26 -1.81 120.51 119.12 1s24 n ALA 17 Ca 0.17 -1.25 -0.05 0.00 0.00 0.00 0.00 53.44 52.32 1s24 n ALA 17 Cb 1.08 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 0.47 -1.36 0.00 0.00 0.00 0.38 -4.54 117.00 111.95 1s24 n LEU 18 Ca 0.18 -1.86 0.00 0.00 0.00 0.00 0.00 56.01 54.33 1s24 n LEU 18 Cb 0.84 0.62 0.00 0.00 0.00 0.00 0.00 43.42 44.88 1s24 n LEU 18 CO 0.21 1.60 0.00 0.61 0.00 0.00 0.00 177.39 179.81 1s24 n GLY 19 N 1.40 -0.38 3.97 -3.96 0.00 -1.16 -4.36 105.19 100.69 1s24 n GLY 19 Ca 0.01 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.29 5.83 -0.22 1.61 1.01 -1.25 -4.96 116.67 117.39 1s24 s ASP 20 Ca 0.00 0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 1s24 s ASP 20 Cb 0.00 -1.37 -0.14 0.00 1.01 0.00 0.00 42.92 42.43 1s24 s ASP 20 CO 0.00 -0.65 -0.21 -0.62 0.21 0.00 0.00 175.17 173.89 1s24 n GLU 21 N -1.95 0.54 0.03 8.23 1.02 -1.26 -1.64 120.64 125.61 1s24 n GLU 21 Ca 0.02 0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 1s24 n GLU 21 Cb 0.58 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.15 -0.02 -0.02 0.62 0.00 -1.96 -2.17 119.26 115.56 1s24 h ALA 22 Ca -0.51 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1s24 h ALA 22 Cb 1.72 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1s24 h ALA 22 CO -0.13 -0.42 0.10 0.93 0.00 0.00 0.00 179.25 179.73 1s24 h GLU 23 N -0.21 0.00 0.00 0.00 5.08 -2.01 -3.44 114.58 114.00 1s24 h GLU 23 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s24 h GLU 23 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1s24 h GLU 23 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1s24 n GLY 24 N -1.17 1.15 3.45 -3.84 0.00 -0.81 -5.00 105.19 98.97 1s24 n GLY 24 Ca -0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.97 4.63 -1.37 1.61 3.01 -0.65 -4.99 117.46 117.73 1s24 n PHE 25 Ca 0.00 -3.03 -0.37 0.00 1.01 0.00 0.00 57.45 55.06 1s24 n PHE 25 Cb 0.03 -2.45 0.05 0.00 -0.01 0.00 0.00 39.48 37.10 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 5.54 1.92 -1.61 4.37 5.66 -1.26 -3.82 114.28 125.09 1s24 n THR 26 Ca 0.45 -0.46 -0.15 0.00 -3.05 0.00 0.00 64.05 60.83 1s24 n THR 26 Cb 0.44 -0.65 -0.11 0.00 -1.55 0.00 0.00 70.33 68.45 1s24 n THR 26 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1s24 s PRO 27 N -2.29 1.20 0.00 1.09 0.02 -1.26 -3.05 135.00 130.71 1s24 s PRO 27 Ca 0.66 -0.39 0.00 0.00 0.02 0.00 0.00 61.00 61.29 1s24 s PRO 27 Cb -0.40 -4.97 0.00 0.00 0.02 0.00 0.00 34.50 29.14 1s24 s PRO 27 CO 0.57 -5.46 0.00 0.41 -0.33 0.00 0.00 177.00 172.19 1s24 n GLY 28 N 6.18 0.00 3.46 0.52 0.00 -1.21 -4.82 105.19 109.32 1s24 n GLY 28 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 3.32 0.03 2.61 2.01 -0.75 -5.01 115.64 117.85 1s24 s THR 29 Ca 0.00 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.45 1s24 s THR 29 Cb 0.00 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1s24 s THR 29 CO 0.00 0.55 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.28 1s24 s ARG 30 N -0.15 2.44 0.28 4.92 0.52 -1.26 -4.38 118.95 121.32 1s24 s ARG 30 Ca 0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.42 1s24 s ARG 30 Cb -0.13 -2.45 0.60 0.00 0.52 0.00 0.00 34.95 33.49 1s24 s ARG 30 CO 0.03 0.57 1.78 0.35 0.02 0.00 0.00 175.30 178.06 1s24 h PHE 31 N 4.24 0.94 -0.76 -0.53 3.57 -1.95 -0.40 116.94 122.06 1s24 h PHE 31 Ca -0.48 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.16 1s24 h PHE 31 Cb 1.17 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 1s24 h PHE 31 CO 0.58 0.26 0.37 1.49 -2.23 0.00 0.00 178.31 178.78 1s24 h GLU 32 N 0.75 0.58 0.00 1.11 4.22 -2.01 0.44 114.58 119.66 1s24 h GLU 32 Ca 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.91 1s24 h GLU 32 Cb 0.70 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s24 h GLU 32 CO -0.35 0.38 0.00 -3.47 -2.18 0.00 0.00 179.01 173.39 1s24 n ASP 33 N -4.88 0.00 -4.21 1.04 2.03 -0.20 -4.47 116.55 105.86 1s24 n ASP 33 Ca 0.13 -1.15 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 1s24 n ASP 33 Cb 0.33 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.00 4.68 0.11 5.18 1.01 0.15 -4.94 121.20 125.40 1s24 s ILE 34 Ca 0.37 -2.77 -0.02 0.00 0.00 0.00 0.00 60.65 58.23 1s24 s ILE 34 Cb 0.17 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1s24 s ILE 34 CO 0.28 -0.96 0.10 -0.81 0.00 0.00 0.00 174.94 173.55 1s24 n PRO 35 N 3.66 -1.32 -1.63 2.79 -0.04 -1.26 -4.78 135.00 132.41 1s24 n PRO 35 Ca 0.11 -0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.09 1s24 n PRO 35 Cb 0.42 -0.15 -0.04 0.00 -0.04 0.00 0.00 33.50 33.70 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1s24 s ASP 36 N -1.81 4.46 0.00 3.54 1.01 -1.26 -3.74 116.67 118.88 1s24 s ASP 36 Ca 0.06 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1s24 s ASP 36 Cb -0.01 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1s24 s ASP 36 CO 0.05 -2.97 0.00 -0.67 0.21 0.00 0.00 175.17 171.79 1s24 n ASP 37 N 15.92 0.00 -4.83 0.27 -0.08 -1.26 -5.13 116.55 121.44 1s24 n ASP 37 Ca 0.36 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.27 1s24 n ASP 37 Cb 0.53 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.93 1s24 n ASP 37 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1s24 s TRP 38 N -0.72 3.70 0.18 -0.67 -0.00 -1.25 -5.08 118.94 115.11 1s24 s TRP 38 Ca 0.00 1.14 0.03 0.00 -0.00 0.00 0.00 56.10 57.26 1s24 s TRP 38 Cb 0.00 -2.41 -0.01 0.00 -0.00 0.00 0.00 33.47 31.05 1s24 s TRP 38 CO 0.00 0.52 0.09 0.00 -0.00 0.00 0.00 176.95 177.56 1s24 n PRO 41 N -1.72 0.45 -0.55 0.00 -0.02 -1.26 -3.36 135.00 128.54 1s24 n PRO 41 Ca 0.04 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1s24 n PRO 41 Cb 0.54 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1s24 n PRO 41 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1s24 n ASP 42 N -1.26 0.02 0.00 2.55 5.68 -1.26 -4.95 116.55 117.34 1s24 n ASP 42 Ca 0.14 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1s24 n ASP 42 Cb 0.21 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s24 n GLY 44 N 1.05 0.40 0.82 0.00 0.00 -1.21 -4.92 105.19 101.33 1s24 n GLY 44 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.71 0.24 -2.73 4.61 0.00 -1.26 -4.84 120.51 114.82 1s24 n ALA 45 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 1s24 n ALA 45 Cb 0.52 0.14 0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.14 0.00 0.30 0.00 -2.24 -1.26 -4.29 114.28 105.64 1s24 n THR 46 Ca 0.02 -0.35 0.20 0.00 -2.27 0.00 0.00 64.05 61.65 1s24 n THR 46 Cb 0.13 -1.06 1.06 0.00 -2.10 0.00 0.00 70.33 68.36 1s24 n THR 46 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1s24 h LYS 47 N 0.00 0.00 -0.93 -0.78 1.57 -1.91 -2.50 116.57 112.02 1s24 h LYS 47 Ca -0.06 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1s24 h LYS 47 Cb 0.24 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.46 1s24 h LYS 47 CO 0.07 0.00 0.55 1.49 -0.57 0.00 0.00 179.45 180.99 1s24 h GLU 48 N 0.00 0.79 0.00 3.15 4.57 -2.02 0.37 114.58 121.43 1s24 h GLU 48 Ca 0.00 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1s24 h GLU 48 Cb 0.03 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1s24 h GLU 48 CO 0.00 0.52 -0.20 -0.44 -1.18 0.00 0.00 179.01 177.71 1s24 h ASP 49 N 0.81 0.00 -3.09 1.04 5.19 -1.82 -3.43 116.42 115.12 1s24 h ASP 49 Ca 0.49 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 56.30 1s24 h ASP 49 Cb 0.61 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.06 1s24 h ASP 49 CO -0.32 0.20 -0.19 -0.31 -3.12 0.00 0.00 179.24 175.50 1s24 s TYR 50 N -3.82 3.69 0.22 4.55 2.02 0.13 -0.94 117.35 123.19 1s24 s TYR 50 Ca -0.01 0.98 0.05 0.00 -0.37 0.00 0.00 57.07 57.72 1s24 s TYR 50 Cb 0.11 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 1s24 s TYR 50 CO 0.62 0.54 -0.05 0.54 -1.57 0.00 0.00 175.55 175.63 1s24 s VAL 51 N -0.73 1.25 -0.38 0.71 0.11 -0.57 -4.86 120.40 115.94 1s24 s VAL 51 Ca 0.24 -2.08 -0.28 0.00 -2.93 0.00 0.00 61.98 56.93 1s24 s VAL 51 Cb -0.16 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1s24 s VAL 51 CO 0.13 -0.44 1.71 -0.22 -3.33 0.00 0.00 175.10 172.96 1s24 s LEU 52 N -3.30 3.50 0.39 2.54 1.98 -1.26 -1.22 118.68 121.30 1s24 s LEU 52 Ca 0.26 1.08 -0.27 0.00 -2.89 0.00 0.00 54.13 52.30 1s24 s LEU 52 Cb 0.04 -3.40 -0.10 0.00 0.66 0.00 0.00 46.19 43.39 1s24 s LEU 52 CO 0.07 -1.72 1.40 -0.47 -1.89 0.00 0.00 176.35 173.74 1s24 s TYR 53 N 6.79 2.69 -0.20 5.38 5.04 0.18 -4.14 117.35 133.10 1s24 s TYR 53 Ca 0.74 1.29 -0.00 0.00 -2.44 0.00 0.00 57.07 56.65 1s24 s TYR 53 Cb -0.19 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.26 1s24 s TYR 53 CO 0.32 -2.58 0.01 0.39 -1.34 0.00 0.00 175.55 172.35 1s24 n GLU 54 N 0.29 -2.29 -2.05 4.97 1.02 -1.26 -4.75 120.64 116.56 1s24 n GLU 54 Ca 0.02 2.04 -0.37 0.00 -0.02 0.00 0.00 57.16 58.83 1s24 n GLU 54 Cb 0.41 -3.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.09 1s24 n GLU 54 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1s24 n GLU 55 N 0.91 3.93 -0.32 3.49 2.13 -1.26 -5.06 120.64 124.46 1s24 n GLU 55 Ca 0.00 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.25 1s24 n GLU 55 Cb 0.19 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.51 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89