#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 2.30 0.25 0.00 2.02 -1.26 -5.13 117.35 115.53 1s24 s TYR 2 Ca 0.00 -0.42 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1s24 s TYR 2 Cb 0.00 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 1s24 s TYR 2 CO 0.00 0.04 0.10 -0.51 -1.57 0.00 0.00 175.55 173.62 1s24 s LEU 3 N -0.93 3.54 0.27 -1.29 1.02 -1.26 -4.92 118.68 115.11 1s24 s LEU 3 Ca 0.11 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 53.94 1s24 s LEU 3 Cb -0.10 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 1s24 s LEU 3 CO 0.01 -0.01 -0.02 -0.54 0.02 0.00 0.00 176.35 175.80 1s24 s LYS 4 N -3.70 2.22 -0.05 1.70 1.02 -1.26 -3.19 119.74 116.47 1s24 s LYS 4 Ca 0.32 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1s24 s LYS 4 Cb -0.07 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1s24 s LYS 4 CO 0.23 0.34 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.28 1s24 s TRP 5 N -2.36 1.48 -0.07 3.18 0.52 -0.80 -3.05 118.94 117.83 1s24 s TRP 5 Ca 0.32 -0.47 -0.03 0.00 0.02 0.00 0.00 56.10 55.93 1s24 s TRP 5 Cb -0.06 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 1s24 s TRP 5 CO 0.19 -0.20 0.07 -1.50 0.02 0.00 0.00 176.95 175.53 1s24 s ILE 6 N 0.34 4.81 -0.57 2.03 1.10 0.33 0.75 121.20 129.97 1s24 s ILE 6 Ca -0.09 -0.15 -0.20 0.00 -0.51 0.00 0.00 60.65 59.70 1s24 s ILE 6 Cb -0.13 -3.10 0.08 0.00 0.15 0.00 0.00 42.46 39.46 1s24 s ILE 6 CO 0.03 0.53 0.76 0.00 -2.11 0.00 0.00 174.94 174.15 1s24 h ILE 8 N 5.92 0.01 -0.36 0.00 2.10 -1.36 0.91 117.51 124.73 1s24 h ILE 8 Ca -0.28 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.55 1s24 h ILE 8 Cb 1.08 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 37.59 1s24 h ILE 8 CO 1.07 0.00 -0.22 0.74 -1.08 0.00 0.00 178.15 178.66 1s24 h THR 9 N 0.00 1.27 0.00 2.19 2.02 -1.91 -3.40 112.91 113.09 1s24 h THR 9 Ca 0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1s24 h THR 9 Cb 0.42 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1s24 h THR 9 CO -0.00 0.43 -0.43 0.00 0.37 0.00 0.00 175.52 175.89 1s24 n GLY 11 N 1.93 0.95 3.56 0.00 0.00 0.30 -5.03 105.19 106.90 1s24 n GLY 11 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.77 3.17 -0.10 1.61 5.65 -1.24 -4.81 115.29 117.80 1s24 s HIS 12 Ca 0.00 -0.12 -0.16 0.00 0.25 0.00 0.00 55.06 55.03 1s24 s HIS 12 Cb 0.00 -2.12 -0.05 0.00 -1.18 0.00 0.00 32.58 29.23 1s24 s HIS 12 CO 0.00 -0.03 0.40 0.42 -0.65 0.00 0.00 174.74 174.87 1s24 s ILE 13 N 0.78 5.18 -0.15 0.89 1.01 -1.26 -1.13 121.20 126.53 1s24 s ILE 13 Ca 0.03 0.79 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 1s24 s ILE 13 Cb -0.14 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1s24 s ILE 13 CO 0.02 0.42 0.24 -0.47 0.00 0.00 0.00 174.94 175.16 1s24 s TYR 14 N 0.04 3.49 -0.47 3.97 5.04 0.23 -4.86 117.35 124.79 1s24 s TYR 14 Ca 0.22 0.56 -0.13 0.00 -2.44 0.00 0.00 57.07 55.28 1s24 s TYR 14 Cb -0.15 -2.24 0.09 0.00 0.35 0.00 0.00 41.96 40.01 1s24 s TYR 14 CO 0.09 0.35 0.37 0.34 -1.34 0.00 0.00 175.55 175.36 1s24 s ASP 15 N 0.11 5.96 0.63 4.32 -1.08 -1.26 -1.91 116.67 123.44 1s24 s ASP 15 Ca 0.15 -1.52 0.28 0.00 -0.52 0.00 0.00 52.55 50.94 1s24 s ASP 15 Cb -0.13 -2.11 1.48 0.00 -1.46 0.00 0.00 42.92 40.70 1s24 s ASP 15 CO 0.03 -0.66 1.87 -0.33 0.52 0.00 0.00 175.17 176.60 1s24 h GLU 16 N 8.64 0.00 -0.45 4.34 5.08 -1.81 0.72 114.58 131.11 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 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.88 1s24 n ALA 17 N -2.10 2.62 -2.66 3.43 0.00 -1.26 -3.45 120.51 117.09 1s24 n ALA 17 Ca 0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.82 1s24 n ALA 17 Cb 0.55 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.09 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 0.36 -1.25 0.00 0.00 7.94 0.25 -4.71 117.00 119.59 1s24 n LEU 18 Ca 0.11 -1.76 0.00 0.00 -1.11 0.00 0.00 56.01 53.25 1s24 n LEU 18 Cb 0.36 0.60 0.00 0.00 0.53 0.00 0.00 43.42 44.91 1s24 n LEU 18 CO 0.09 1.57 0.00 0.61 -1.11 0.00 0.00 177.39 178.55 1s24 n GLY 19 N 1.40 -2.75 3.93 -3.96 0.00 -1.10 -4.48 105.19 98.23 1s24 n GLY 19 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.80 5.74 -0.14 1.61 -1.08 -1.26 -4.95 116.67 114.79 1s24 s ASP 20 Ca 0.00 0.54 0.10 0.00 -0.52 0.00 0.00 52.55 52.66 1s24 s ASP 20 Cb 0.00 -1.66 -0.15 0.00 -1.46 0.00 0.00 42.92 39.65 1s24 s ASP 20 CO 0.00 -0.88 0.01 -0.62 0.52 0.00 0.00 175.17 174.20 1s24 n GLU 21 N -2.34 1.58 0.08 4.34 1.02 -1.26 -1.99 120.64 122.07 1s24 n GLU 21 Ca 0.03 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1s24 n GLU 21 Cb 0.57 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.52 -0.25 0.00 0.62 0.00 -1.98 -3.05 119.26 115.11 1s24 h ALA 22 Ca -0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1s24 h ALA 22 Cb 1.76 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1s24 h ALA 22 CO 0.00 -0.41 -0.03 1.49 0.00 0.00 0.00 179.25 180.30 1s24 h GLU 23 N -0.72 0.00 0.00 0.00 4.57 -2.01 -3.45 114.58 112.97 1s24 h GLU 23 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1s24 h GLU 23 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1s24 h GLU 23 CO 0.04 0.03 0.00 0.41 -1.18 0.00 0.00 179.01 178.32 1s24 n GLY 24 N -1.32 1.85 3.57 1.92 0.00 -1.15 -4.99 105.19 105.07 1s24 n GLY 24 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 0.46 1.61 0.40 -0.84 -4.91 117.98 114.37 1s24 s PHE 25 Ca 0.00 1.09 -0.22 0.00 -0.60 0.00 0.00 56.93 57.20 1s24 s PHE 25 Cb 0.00 -3.79 -0.10 0.00 0.51 0.00 0.00 43.02 39.63 1s24 s PHE 25 CO 0.00 -1.24 0.81 -2.37 0.70 0.00 0.00 175.22 173.12 1s24 n THR 26 N 8.21 2.41 -1.63 0.64 5.66 -1.26 -4.22 114.28 124.09 1s24 n THR 26 Ca 0.43 -0.50 -0.47 0.00 -3.05 0.00 0.00 64.05 60.46 1s24 n THR 26 Cb 0.46 -0.92 -0.05 0.00 -1.55 0.00 0.00 70.33 68.27 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 0.09 2.02 0.00 1.09 -0.02 -1.26 -2.75 135.00 134.16 1s24 n PRO 27 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1s24 n PRO 27 Cb 0.41 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 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 4.98 1.89 3.55 -1.23 0.00 -1.23 -5.03 105.19 108.12 1s24 n GLY 28 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 5.22 0.02 2.61 2.01 -1.11 -5.06 115.64 117.32 1s24 s THR 29 Ca 0.00 0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 1s24 s THR 29 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1s24 s THR 29 CO 0.00 -0.01 0.35 -0.60 -0.69 0.00 0.00 174.62 173.67 1s24 s ARG 30 N 1.91 3.75 0.57 4.92 3.52 -1.26 -4.64 118.95 127.73 1s24 s ARG 30 Ca 0.10 0.19 0.30 0.00 -0.13 0.00 0.00 55.73 56.19 1s24 s ARG 30 Cb -0.17 -3.11 1.44 0.00 -1.56 0.00 0.00 34.95 31.55 1s24 s ARG 30 CO 0.11 0.64 1.84 0.35 -0.81 0.00 0.00 175.30 177.43 1s24 h PHE 31 N 4.24 0.00 -0.75 5.12 3.57 -1.95 0.27 116.94 127.45 1s24 h PHE 31 Ca -0.51 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.15 1s24 h PHE 31 Cb 1.21 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1s24 h PHE 31 CO 0.69 0.00 0.50 1.49 -2.23 0.00 0.00 178.31 178.77 1s24 h GLU 32 N 0.00 0.36 -0.27 1.11 4.57 -2.01 0.74 114.58 119.06 1s24 h GLU 32 Ca 0.32 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1s24 h GLU 32 Cb 1.56 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 1s24 h GLU 32 CO -0.00 0.24 0.00 -3.47 -1.18 0.00 0.00 179.01 174.59 1s24 n ASP 33 N -4.47 1.79 -4.32 1.04 -0.08 0.95 -4.69 116.55 106.77 1s24 n ASP 33 Ca 0.14 -1.87 -0.46 0.00 -1.51 0.00 0.00 54.79 51.09 1s24 n ASP 33 Cb 0.56 -0.18 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 1s24 n ASP 33 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1s24 s ILE 34 N -1.64 5.36 0.00 5.18 1.01 0.26 -4.97 121.20 126.40 1s24 s ILE 34 Ca 0.27 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1s24 s ILE 34 Cb 0.14 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1s24 s ILE 34 CO 0.20 -0.93 0.47 -0.81 0.00 0.00 0.00 174.94 173.87 1s24 n PRO 35 N 4.78 0.00 0.00 2.79 -0.04 -1.26 -4.95 135.00 136.31 1s24 n PRO 35 Ca -0.04 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1s24 n PRO 35 Cb 0.43 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s24 n ASP 36 N -0.58 0.00 -0.44 3.54 5.68 -1.26 -4.89 116.55 118.61 1s24 n ASP 36 Ca 0.00 0.00 0.41 0.00 -0.50 0.00 0.00 54.79 54.70 1s24 n ASP 36 Cb 0.00 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 40.75 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1s24 h ASP 37 N 0.00 0.00 -3.70 -1.12 3.58 -1.99 -3.39 116.42 109.79 1s24 h ASP 37 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 1s24 h ASP 37 Cb 0.00 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1s24 h ASP 37 CO 0.00 0.00 0.46 0.86 -2.88 0.00 0.00 179.24 177.68 1s24 s TRP 38 N -4.92 3.63 0.24 0.28 -0.00 -1.26 -5.04 118.94 111.86 1s24 s TRP 38 Ca -0.05 1.68 0.01 0.00 -0.00 0.00 0.00 56.10 57.75 1s24 s TRP 38 Cb 0.24 -3.25 -0.01 0.00 -0.00 0.00 0.00 33.47 30.46 1s24 s TRP 38 CO 0.83 -0.47 0.05 0.00 -0.00 0.00 0.00 176.95 177.37 1s24 h PRO 41 N 4.54 0.00 -0.01 0.00 0.13 -2.00 -2.24 132.00 132.42 1s24 h PRO 41 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s24 h PRO 41 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s24 h PRO 41 CO 0.68 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.19 1s24 n ASP 42 N -2.50 1.73 0.03 1.44 8.00 -1.26 -4.88 116.55 119.10 1s24 n ASP 42 Ca 0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1s24 n ASP 42 Cb 0.29 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.65 1.77 0.00 0.00 0.00 -0.86 -4.90 105.19 102.86 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 -0.50 0.00 -1.97 4.61 0.00 -1.26 -4.77 120.51 116.62 1s24 n ALA 45 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1s24 n ALA 45 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1s24 n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s24 s THR 46 N 0.72 2.07 0.40 0.00 -4.23 -1.26 -4.17 115.64 109.16 1s24 s THR 46 Ca 0.00 -0.40 0.34 0.00 -1.18 0.00 0.00 61.69 60.44 1s24 s THR 46 Cb 0.00 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.53 1s24 s THR 46 CO 0.00 0.00 2.13 0.50 -0.54 0.00 0.00 174.62 176.71 1s24 h LYS 47 N -0.92 0.00 0.00 3.99 3.11 -1.85 -2.20 116.57 118.70 1s24 h LYS 47 Ca -0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 1s24 h LYS 47 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1s24 h LYS 47 CO 0.38 0.06 0.09 1.49 -2.81 0.00 0.00 179.45 178.67 1s24 h GLU 48 N 0.00 0.00 0.00 1.90 4.81 -1.98 0.14 114.58 119.44 1s24 h GLU 48 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s24 h GLU 48 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1s24 h GLU 48 CO 0.01 0.00 -0.28 -0.44 -0.73 0.00 0.00 179.01 177.56 1s24 h ASP 49 N 0.00 0.00 -2.79 1.04 5.19 -1.77 -3.46 116.42 114.63 1s24 h ASP 49 Ca 0.00 -0.08 -0.64 0.00 -0.62 0.00 0.00 57.03 55.69 1s24 h ASP 49 Cb 0.19 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 1s24 h ASP 49 CO 0.00 0.04 -0.48 -0.31 -3.12 0.00 0.00 179.24 175.37 1s24 s TYR 50 N -3.15 3.56 0.15 4.55 2.02 0.47 -0.88 117.35 124.08 1s24 s TYR 50 Ca 0.08 0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 57.11 1s24 s TYR 50 Cb 0.12 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1s24 s TYR 50 CO 0.66 0.66 0.22 0.14 -1.57 0.00 0.00 175.55 175.65 1s24 s VAL 51 N -1.29 0.09 0.06 0.71 -7.23 0.41 -4.93 120.40 108.23 1s24 s VAL 51 Ca 0.26 -1.48 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 1s24 s VAL 51 Cb -0.13 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 34.93 1s24 s VAL 51 CO 0.17 -0.39 1.40 -0.22 -0.31 0.00 0.00 175.10 175.75 1s24 s LEU 52 N -2.97 4.35 0.10 1.32 2.96 -1.26 -0.52 118.68 122.66 1s24 s LEU 52 Ca 0.17 2.23 -0.19 0.00 -0.22 0.00 0.00 54.13 56.12 1s24 s LEU 52 Cb 0.04 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 1s24 s LEU 52 CO -0.01 -0.68 0.59 -0.47 -1.32 0.00 0.00 176.35 174.46 1s24 s TYR 53 N 1.71 3.79 -0.39 5.38 5.04 -1.17 -4.79 117.35 126.93 1s24 s TYR 53 Ca 0.64 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 1s24 s TYR 53 Cb -0.34 -2.51 0.19 0.00 0.35 0.00 0.00 41.96 39.64 1s24 s TYR 53 CO 0.29 0.55 0.84 -1.83 -1.34 0.00 0.00 175.55 174.06 1s24 s GLU 54 N -1.25 0.57 0.77 4.97 -1.05 -1.26 -4.83 118.70 116.61 1s24 s GLU 54 Ca 0.31 -0.29 -0.09 0.00 -0.15 0.00 0.00 54.97 54.75 1s24 s GLU 54 Cb -0.19 0.04 0.09 0.00 -0.44 0.00 0.00 34.13 33.63 1s24 s GLU 54 CO 0.20 -0.79 1.10 -2.00 0.95 0.00 0.00 175.26 174.72 1s24 s GLU 55 N 1.67 1.88 0.00 -4.83 -6.30 -1.26 -5.27 118.70 104.59 1s24 s GLU 55 Ca 0.18 -0.24 0.29 0.00 -2.50 0.00 0.00 54.97 52.69 1s24 s GLU 55 Cb 0.01 -2.08 1.17 0.00 0.00 0.00 0.00 34.13 33.22 1s24 s GLU 55 CO -0.10 -1.51 1.81 1.17 0.02 0.00 0.00 175.26 176.65