#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 -0.30 0.74 0.00 2.02 -1.26 -5.03 117.35 113.53 1s24 s TYR 2 Ca 0.00 0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 57.31 1s24 s TYR 2 Cb 0.00 0.08 0.04 0.00 -0.40 0.00 0.00 41.96 41.68 1s24 s TYR 2 CO 0.00 -0.17 1.08 -0.51 -1.57 0.00 0.00 175.55 174.38 1s24 s LEU 3 N 0.49 2.85 -0.02 -1.29 1.02 -1.26 -4.82 118.68 115.65 1s24 s LEU 3 Ca -0.03 1.42 0.02 0.00 0.02 0.00 0.00 54.13 55.56 1s24 s LEU 3 Cb -0.04 -4.17 0.01 0.00 0.02 0.00 0.00 46.19 42.01 1s24 s LEU 3 CO -0.03 -1.67 -0.06 -0.54 0.02 0.00 0.00 176.35 174.07 1s24 s LYS 4 N -5.13 0.74 0.44 1.70 1.02 -1.26 -2.56 119.74 114.69 1s24 s LYS 4 Ca 0.59 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.41 1s24 s LYS 4 Cb -0.14 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.47 1s24 s LYS 4 CO 0.54 0.05 0.16 0.91 -0.92 0.00 0.00 175.35 176.09 1s24 n TRP 5 N 3.45 0.19 -3.63 3.18 7.02 -0.76 -0.96 117.44 125.94 1s24 n TRP 5 Ca -0.19 -2.04 -0.03 0.00 -1.02 0.00 0.00 57.50 54.21 1s24 n TRP 5 Cb 0.54 -0.33 -0.05 0.00 -2.42 0.00 0.00 31.31 29.05 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 -2.43 -0.49 -0.61 -0.99 -1.16 -0.43 0.50 121.20 115.60 1s24 s ILE 6 Ca 0.12 0.00 -0.26 0.00 -0.51 0.00 0.00 60.65 60.00 1s24 s ILE 6 Cb -0.01 -1.00 -0.02 0.00 0.61 0.00 0.00 42.46 42.04 1s24 s ILE 6 CO 0.08 0.00 1.89 0.00 -2.81 0.00 0.00 174.94 174.10 1s24 h ILE 8 N 6.93 0.14 0.00 0.00 2.10 -0.61 1.18 117.51 127.25 1s24 h ILE 8 Ca -0.26 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.49 1s24 h ILE 8 Cb 1.17 0.70 -0.03 0.00 -1.09 0.00 0.00 36.82 37.57 1s24 h ILE 8 CO 1.22 0.00 -0.94 0.74 -1.08 0.00 0.00 178.15 178.08 1s24 h THR 9 N 0.00 1.47 0.00 2.19 2.02 -1.87 -3.40 112.91 113.32 1s24 h THR 9 Ca 0.06 -3.11 -0.15 0.00 0.77 0.00 0.00 66.41 63.98 1s24 h THR 9 Cb 0.71 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1s24 h THR 9 CO -0.00 0.84 -1.33 0.00 0.37 0.00 0.00 175.52 175.39 1s24 n GLY 11 N 2.26 1.50 3.75 0.00 0.00 0.37 -5.01 105.19 108.05 1s24 n GLY 11 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.01 3.66 -0.11 1.61 5.65 -1.26 -4.73 115.29 118.10 1s24 s HIS 12 Ca 0.00 1.71 -0.11 0.00 0.25 0.00 0.00 55.06 56.92 1s24 s HIS 12 Cb 0.00 -3.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.13 1s24 s HIS 12 CO 0.00 -0.38 0.23 0.42 -0.65 0.00 0.00 174.74 174.36 1s24 s ILE 13 N -0.92 5.34 0.01 0.89 1.01 -1.26 -1.60 121.20 124.67 1s24 s ILE 13 Ca 0.45 0.43 -0.16 0.00 0.00 0.00 0.00 60.65 61.37 1s24 s ILE 13 Cb -0.30 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 1s24 s ILE 13 CO 0.38 0.54 0.45 -0.47 0.00 0.00 0.00 174.94 175.85 1s24 s TYR 14 N -0.59 3.73 -0.33 3.97 5.04 0.18 -4.89 117.35 124.46 1s24 s TYR 14 Ca 0.17 1.05 -0.04 0.00 -2.44 0.00 0.00 57.07 55.81 1s24 s TYR 14 Cb -0.13 -2.37 0.05 0.00 0.35 0.00 0.00 41.96 39.86 1s24 s TYR 14 CO 0.06 0.58 0.07 0.34 -1.34 0.00 0.00 175.55 175.25 1s24 s ASP 15 N -0.90 5.11 0.61 4.32 2.15 -1.26 -1.83 116.67 124.87 1s24 s ASP 15 Ca 0.25 -1.30 0.28 0.00 0.43 0.00 0.00 52.55 52.21 1s24 s ASP 15 Cb -0.17 -1.79 1.41 0.00 -0.30 0.00 0.00 42.92 42.07 1s24 s ASP 15 CO 0.14 -0.32 1.82 -0.33 -0.17 0.00 0.00 175.17 176.31 1s24 h GLU 16 N 8.10 0.00 -0.64 4.34 5.08 -1.71 0.84 114.58 130.59 1s24 h GLU 16 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1s24 h GLU 16 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1s24 h GLU 16 CO 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 1s24 n ALA 17 N -2.22 2.95 -2.67 3.43 0.00 -1.26 -2.79 120.51 117.95 1s24 n ALA 17 Ca 0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 53.44 52.59 1s24 n ALA 17 Cb 0.70 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 19.20 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 0.43 -1.29 0.00 0.00 0.00 0.29 -4.73 117.00 111.71 1s24 n LEU 18 Ca 0.14 -1.78 0.00 0.00 0.00 0.00 0.00 56.01 54.37 1s24 n LEU 18 Cb 0.60 0.57 0.00 0.00 0.00 0.00 0.00 43.42 44.58 1s24 n LEU 18 CO 0.14 1.58 0.00 0.61 0.00 0.00 0.00 177.39 179.72 1s24 n GLY 19 N 1.48 -1.66 3.85 -3.96 0.00 -1.14 -4.34 105.19 99.43 1s24 n GLY 19 Ca 0.01 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.58 6.75 -0.16 1.61 -1.08 -1.26 -4.95 116.67 116.00 1s24 s ASP 20 Ca 0.00 1.19 0.15 0.00 -0.52 0.00 0.00 52.55 53.38 1s24 s ASP 20 Cb 0.00 -2.34 -0.24 0.00 -1.46 0.00 0.00 42.92 38.88 1s24 s ASP 20 CO 0.00 -0.16 0.22 -0.62 0.52 0.00 0.00 175.17 175.13 1s24 n GLU 21 N -0.27 0.67 -0.01 4.34 1.02 -1.26 -1.70 120.64 123.44 1s24 n GLU 21 Ca 0.03 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.08 1s24 n GLU 21 Cb 0.53 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.94 0.09 -0.70 0.62 0.00 -1.98 -3.27 119.26 114.97 1s24 h ALA 22 Ca -0.48 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 53.85 1s24 h ALA 22 Cb 2.17 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.95 1s24 h ALA 22 CO 0.04 0.29 0.23 0.93 0.00 0.00 0.00 179.25 180.74 1s24 h GLU 23 N -0.14 1.06 0.00 0.00 4.39 -2.00 -3.46 114.58 114.43 1s24 h GLU 23 Ca -0.06 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1s24 h GLU 23 Cb 1.20 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1s24 h GLU 23 CO 0.10 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 1s24 n GLY 24 N -0.84 1.87 3.57 -3.84 0.00 -1.23 -5.02 105.19 99.69 1s24 n GLY 24 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1s24 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s24 s PHE 25 N -2.00 1.67 0.67 1.61 0.40 -0.69 -4.91 117.98 114.73 1s24 s PHE 25 Ca 0.00 1.08 -0.17 0.00 -0.60 0.00 0.00 56.93 57.24 1s24 s PHE 25 Cb 0.00 -3.80 -0.06 0.00 0.51 0.00 0.00 43.02 39.67 1s24 s PHE 25 CO 0.00 -1.26 0.47 -2.37 0.70 0.00 0.00 175.22 172.75 1s24 n THR 26 N 8.20 1.82 -1.56 0.64 5.66 -1.26 -4.29 114.28 123.49 1s24 n THR 26 Ca 0.43 -0.44 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 1s24 n THR 26 Cb 0.46 -0.67 -0.04 0.00 -1.55 0.00 0.00 70.33 68.53 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 -0.33 1.52 0.00 1.09 -0.02 -1.26 -3.25 135.00 132.75 1s24 n PRO 27 Ca 0.10 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1s24 n PRO 27 Cb 0.49 -3.14 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 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 5.98 0.80 3.56 -1.23 0.00 -1.25 -5.05 105.19 108.00 1s24 n GLY 28 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.46 3.93 -0.01 2.61 2.01 -1.12 -5.06 115.64 116.53 1s24 s THR 29 Ca 0.00 -0.37 0.07 0.00 0.31 0.00 0.00 61.69 61.70 1s24 s THR 29 Cb 0.00 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1s24 s THR 29 CO 0.00 0.54 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.12 1s24 s ARG 30 N -0.17 2.18 0.39 4.92 0.52 -1.26 -4.45 118.95 121.08 1s24 s ARG 30 Ca 0.03 -0.89 0.18 0.00 -0.52 0.00 0.00 55.73 54.53 1s24 s ARG 30 Cb -0.13 -2.14 1.09 0.00 0.52 0.00 0.00 34.95 34.29 1s24 s ARG 30 CO 0.02 0.57 1.77 0.35 0.02 0.00 0.00 175.30 178.03 1s24 h PHE 31 N 5.27 0.68 -0.63 -0.53 3.57 -1.95 0.46 116.94 123.80 1s24 h PHE 31 Ca -0.45 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.15 1s24 h PHE 31 Cb 1.14 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 1s24 h PHE 31 CO 0.45 0.06 0.42 1.49 -2.23 0.00 0.00 178.31 178.49 1s24 h GLU 32 N 0.40 0.55 0.00 1.11 4.81 -2.00 -1.03 114.58 118.41 1s24 h GLU 32 Ca 0.60 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.71 1s24 h GLU 32 Cb 1.49 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1s24 h GLU 32 CO -0.31 0.36 -0.97 -0.44 -0.73 0.00 0.00 179.01 176.92 1s24 h ASP 33 N 0.56 0.00 -1.84 1.04 5.19 -0.55 -3.45 116.42 117.38 1s24 h ASP 33 Ca 0.28 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 56.09 1s24 h ASP 33 Cb 0.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1s24 h ASP 33 CO -0.09 0.31 1.49 -0.38 -3.12 0.00 0.00 179.24 177.45 1s24 n ILE 34 N -2.89 0.31 -0.02 0.35 5.41 -0.39 -4.94 119.36 117.19 1s24 n ILE 34 Ca -0.03 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1s24 n ILE 34 Cb 0.69 -2.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 1s24 n ILE 34 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1s24 n PRO 35 N 8.70 0.58 0.05 0.38 -0.02 -1.26 -4.93 135.00 138.49 1s24 n PRO 35 Ca 0.32 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 1s24 n PRO 35 Cb 0.42 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.83 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s24 h ASP 36 N -0.27 0.00 -0.48 2.55 5.19 -1.99 -3.33 116.42 118.08 1s24 h ASP 36 Ca 0.00 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.54 1s24 h ASP 36 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1s24 h ASP 36 CO 0.00 0.51 0.34 0.44 -3.12 0.00 0.00 179.24 177.42 1s24 h ASP 37 N 0.00 0.06 -4.31 6.45 5.19 -2.01 -3.42 116.42 118.38 1s24 h ASP 37 Ca -0.14 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.81 1s24 h ASP 37 Cb 1.51 -0.01 0.12 0.00 0.18 0.00 0.00 39.33 41.14 1s24 h ASP 37 CO 0.04 0.03 0.32 0.86 -3.12 0.00 0.00 179.24 177.38 1s24 s TRP 38 N -5.08 2.62 0.00 4.55 -0.00 -1.25 -5.05 118.94 114.72 1s24 s TRP 38 Ca -0.05 0.86 0.00 0.00 -0.00 0.00 0.00 56.10 56.91 1s24 s TRP 38 Cb 0.19 -3.38 0.00 0.00 -0.00 0.00 0.00 33.47 30.28 1s24 s TRP 38 CO 0.73 -2.21 0.00 0.00 -0.00 0.00 0.00 176.95 175.47 1s24 n PRO 41 N 0.57 0.17 0.00 0.00 -0.04 -1.26 -3.24 135.00 131.20 1s24 n PRO 41 Ca 0.02 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1s24 n PRO 41 Cb 0.48 -1.50 0.00 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 -1.38 3.39 0.00 3.54 9.92 -1.26 -4.94 116.55 125.83 1s24 n ASP 42 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1s24 n ASP 42 Cb 0.21 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 1.72 1.81 3.96 0.00 0.00 -1.20 -4.95 105.19 106.52 1s24 n GLY 44 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 4.43 1.00 4.61 0.00 -1.26 -4.81 121.76 123.73 1s24 s ALA 45 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1s24 s ALA 45 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1s24 s ALA 45 CO 0.00 -0.47 0.00 0.25 0.00 0.00 0.00 175.76 175.54 1s24 n THR 46 N -1.86 0.00 1.60 0.00 -2.24 -1.26 -3.66 114.28 106.86 1s24 n THR 46 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 1s24 n THR 46 Cb 0.62 -0.74 0.80 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.36 0.67 -0.24 -0.78 5.02 -1.26 -3.86 118.16 117.34 1s24 n LYS 47 Ca 0.00 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1s24 n LYS 47 Cb 0.00 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.67 1s24 n LYS 47 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1s24 h GLU 48 N 0.00 0.39 0.00 1.97 4.22 -2.03 0.32 114.58 119.45 1s24 h GLU 48 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1s24 h GLU 48 Cb 0.13 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s24 h GLU 48 CO 0.00 0.26 -0.02 0.38 -2.18 0.00 0.00 179.01 177.45 1s24 h ASP 49 N 0.41 0.00 -3.34 1.04 3.04 -1.92 -3.43 116.42 112.21 1s24 h ASP 49 Ca 0.38 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.59 1s24 h ASP 49 Cb 0.55 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.77 1s24 h ASP 49 CO -0.39 0.02 -0.08 -0.31 -2.04 0.00 0.00 179.24 176.44 1s24 s TYR 50 N -3.54 3.52 0.19 4.15 2.02 0.11 0.18 117.35 123.98 1s24 s TYR 50 Ca 0.03 0.97 0.07 0.00 -0.37 0.00 0.00 57.07 57.76 1s24 s TYR 50 Cb 0.08 -2.62 -0.05 0.00 -0.40 0.00 0.00 41.96 38.98 1s24 s TYR 50 CO 0.58 0.14 -0.13 0.14 -1.57 0.00 0.00 175.55 174.71 1s24 s VAL 51 N 0.72 1.55 -0.17 0.71 -7.23 -0.89 -4.91 120.40 110.18 1s24 s VAL 51 Ca 0.29 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1s24 s VAL 51 Cb -0.16 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1s24 s VAL 51 CO 0.12 -0.65 1.36 -0.22 -0.31 0.00 0.00 175.10 175.41 1s24 s LEU 52 N -3.26 4.15 0.10 1.32 0.20 -1.26 -1.32 118.68 118.60 1s24 s LEU 52 Ca 0.21 1.73 -0.31 0.00 0.69 0.00 0.00 54.13 56.44 1s24 s LEU 52 Cb 0.00 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.15 1s24 s LEU 52 CO 0.05 -0.86 1.37 -0.47 -0.29 0.00 0.00 176.35 176.14 1s24 s TYR 53 N 3.82 3.23 -0.23 5.38 6.14 -0.13 -4.89 117.35 130.68 1s24 s TYR 53 Ca 0.59 0.99 -0.06 0.00 0.64 0.00 0.00 57.07 59.23 1s24 s TYR 53 Cb -0.23 -3.64 -0.03 0.00 0.42 0.00 0.00 41.96 38.48 1s24 s TYR 53 CO 0.19 -2.24 0.03 -2.00 0.64 0.00 0.00 175.55 172.17 1s24 s GLU 54 N 1.23 3.62 -0.11 4.97 2.12 -1.26 -4.78 118.70 124.49 1s24 s GLU 54 Ca 0.64 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.17 1s24 s GLU 54 Cb -0.35 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1s24 s GLU 54 CO 0.30 -0.10 1.59 -1.83 -0.54 0.00 0.00 175.26 174.68 1s24 s GLU 55 N 1.33 4.10 0.00 4.30 -1.05 -1.26 -5.24 118.70 120.88 1s24 s GLU 55 Ca 0.05 1.99 0.00 0.00 -0.15 0.00 0.00 54.97 56.86 1s24 s GLU 55 Cb -0.15 -3.96 0.00 0.00 -0.44 0.00 0.00 34.13 29.58 1s24 s GLU 55 CO 0.02 -0.93 0.00 1.17 0.95 0.00 0.00 175.26 176.47