#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 3.82 0.63 0.00 2.02 -1.26 -5.05 117.35 117.51 1s24 s TYR 2 Ca 0.00 1.83 -0.02 0.00 -0.37 0.00 0.00 57.07 58.51 1s24 s TYR 2 Cb 0.00 -3.10 0.06 0.00 -0.40 0.00 0.00 41.96 38.52 1s24 s TYR 2 CO 0.00 0.05 0.89 -0.51 -1.57 0.00 0.00 175.55 174.41 1s24 s LEU 3 N -1.22 3.08 0.09 -1.29 1.02 -1.26 -4.86 118.68 114.24 1s24 s LEU 3 Ca 0.43 0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.67 1s24 s LEU 3 Cb -0.28 -2.79 -0.04 0.00 0.02 0.00 0.00 46.19 43.10 1s24 s LEU 3 CO 0.35 -1.42 -0.07 -0.54 0.02 0.00 0.00 176.35 174.70 1s24 s LYS 4 N -4.98 0.77 -0.03 1.70 1.02 -1.26 -2.29 119.74 114.66 1s24 s LYS 4 Ca 0.60 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 55.39 1s24 s LYS 4 Cb -0.10 -0.19 -0.00 0.00 -0.52 0.00 0.00 37.83 37.02 1s24 s LYS 4 CO 0.41 -0.01 -0.15 -1.58 -0.92 0.00 0.00 175.35 173.10 1s24 s TRP 5 N -3.28 1.48 -0.11 3.18 0.52 -0.84 -2.06 118.94 117.83 1s24 s TRP 5 Ca 0.08 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.79 1s24 s TRP 5 Cb 0.03 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.32 1s24 s TRP 5 CO -0.04 -0.12 0.02 -1.50 0.02 0.00 0.00 176.95 175.33 1s24 s ILE 6 N -0.02 4.44 -0.81 2.03 1.10 -0.25 0.11 121.20 127.79 1s24 s ILE 6 Ca -0.01 -0.19 -0.24 0.00 -0.51 0.00 0.00 60.65 59.70 1s24 s ILE 6 Cb -0.10 -2.89 0.06 0.00 0.15 0.00 0.00 42.46 39.68 1s24 s ILE 6 CO 0.01 0.58 1.22 0.00 -2.11 0.00 0.00 174.94 174.64 1s24 h ILE 8 N 6.18 0.00 0.00 0.00 2.10 -1.39 1.32 117.51 125.72 1s24 h ILE 8 Ca -0.10 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.71 1s24 h ILE 8 Cb 1.04 0.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.55 1s24 h ILE 8 CO 1.27 0.00 -0.63 0.74 -1.08 0.00 0.00 178.15 178.45 1s24 h THR 9 N 0.00 1.17 0.00 2.19 2.02 -1.89 -3.41 112.91 112.99 1s24 h THR 9 Ca 0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1s24 h THR 9 Cb 0.39 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1s24 h THR 9 CO 0.00 0.62 -0.41 0.00 0.37 0.00 0.00 175.52 176.10 1s24 n GLY 11 N 2.93 2.00 3.64 0.00 0.00 0.41 -5.01 105.19 109.16 1s24 n GLY 11 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.98 0.01 1.61 2.46 -1.26 -4.81 115.29 114.29 1s24 s HIS 12 Ca 0.00 0.03 -0.05 0.00 0.47 0.00 0.00 55.06 55.51 1s24 s HIS 12 Cb 0.00 -1.65 -0.04 0.00 -0.13 0.00 0.00 32.58 30.76 1s24 s HIS 12 CO 0.00 0.41 0.24 0.42 -2.47 0.00 0.00 174.74 173.34 1s24 s ILE 13 N -1.02 5.35 -0.14 0.89 1.01 -1.26 -0.64 121.20 125.38 1s24 s ILE 13 Ca 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 1s24 s ILE 13 Cb -0.11 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1s24 s ILE 13 CO 0.08 0.33 0.03 -0.47 0.00 0.00 0.00 174.94 174.91 1s24 s TYR 14 N -1.33 3.19 -0.44 3.97 5.04 0.29 -4.87 117.35 123.21 1s24 s TYR 14 Ca 0.28 0.05 -0.14 0.00 -2.44 0.00 0.00 57.07 54.82 1s24 s TYR 14 Cb -0.13 -1.95 0.06 0.00 0.35 0.00 0.00 41.96 40.28 1s24 s TYR 14 CO 0.18 0.24 0.33 0.34 -1.34 0.00 0.00 175.55 175.30 1s24 s ASP 15 N -0.10 6.01 0.59 4.32 -1.08 -1.26 -1.98 116.67 123.17 1s24 s ASP 15 Ca 0.05 -1.23 0.29 0.00 -0.52 0.00 0.00 52.55 51.15 1s24 s ASP 15 Cb -0.12 -2.13 1.41 0.00 -1.46 0.00 0.00 42.92 40.61 1s24 s ASP 15 CO 0.02 -0.56 1.80 -0.33 0.52 0.00 0.00 175.17 176.62 1s24 h GLU 16 N 8.63 0.00 -0.58 4.34 5.08 -1.64 0.89 114.58 131.30 1s24 h GLU 16 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 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 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.81 1s24 n ALA 17 N -2.35 3.90 -2.66 3.43 0.00 -1.26 -0.81 120.51 120.75 1s24 n ALA 17 Ca 0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 53.44 51.58 1s24 n ALA 17 Cb 0.83 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 0.63 -1.24 0.00 0.00 -0.00 0.31 -4.49 117.00 112.21 1s24 n LEU 18 Ca 0.28 -1.67 0.00 0.00 -0.00 0.00 0.00 56.01 54.62 1s24 n LEU 18 Cb 1.21 0.54 0.00 0.00 -0.00 0.00 0.00 43.42 45.17 1s24 n LEU 18 CO 0.33 1.54 0.00 0.61 -0.00 0.00 0.00 177.39 179.87 1s24 n GLY 19 N 1.57 -2.49 4.01 -3.96 0.00 -1.09 -4.16 105.19 99.08 1s24 n GLY 19 Ca 0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.79 5.48 0.09 1.61 1.01 -1.26 -4.88 116.67 116.93 1s24 s ASP 20 Ca 0.00 -0.49 0.18 0.00 0.71 0.00 0.00 52.55 52.96 1s24 s ASP 20 Cb 0.00 -0.44 -0.10 0.00 1.01 0.00 0.00 42.92 43.38 1s24 s ASP 20 CO 0.00 -0.94 0.87 -0.62 0.21 0.00 0.00 175.17 174.69 1s24 n GLU 21 N -1.99 0.62 0.03 8.23 1.02 -1.26 -3.35 120.64 123.95 1s24 n GLU 21 Ca 0.10 0.19 -0.18 0.00 -0.02 0.00 0.00 57.16 57.25 1s24 n GLU 21 Cb 0.60 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.58 0.38 0.00 0.62 0.00 -2.01 -3.31 119.26 116.52 1s24 h ALA 22 Ca -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 54.91 53.52 1s24 h ALA 22 Cb 1.43 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1s24 h ALA 22 CO 0.03 1.24 -0.06 1.49 0.00 0.00 0.00 179.25 181.96 1s24 h GLU 23 N 0.07 0.00 -0.56 0.00 4.57 -1.98 -3.46 114.58 113.22 1s24 h GLU 23 Ca -0.32 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.80 1s24 h GLU 23 Cb 2.04 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.63 1s24 h GLU 23 CO 0.13 0.06 -0.08 0.41 -1.18 0.00 0.00 179.01 178.35 1s24 n GLY 24 N -0.36 0.30 3.58 1.92 0.00 -1.24 -4.92 105.19 104.46 1s24 n GLY 24 Ca -0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.24 2.07 0.35 1.61 0.08 -1.21 -4.93 117.98 113.70 1s24 s PHE 25 Ca 0.01 0.13 -0.26 0.00 0.12 0.00 0.00 56.93 56.93 1s24 s PHE 25 Cb -0.00 -4.15 -0.13 0.00 -0.57 0.00 0.00 43.02 38.17 1s24 s PHE 25 CO 0.01 -1.42 0.88 -2.37 -0.10 0.00 0.00 175.22 172.22 1s24 n THR 26 N 7.57 2.07 -1.48 0.64 5.66 -1.26 -3.82 114.28 123.66 1s24 n THR 26 Ca 0.44 -0.50 -0.47 0.00 -3.05 0.00 0.00 64.05 60.47 1s24 n THR 26 Cb 0.47 -0.88 -0.06 0.00 -1.55 0.00 0.00 70.33 68.31 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 0.55 1.17 0.00 1.09 -0.02 -1.26 -3.48 135.00 133.05 1s24 n PRO 27 Ca 0.10 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1s24 n PRO 27 Cb 0.35 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 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 6.36 0.70 3.22 -1.23 0.00 -1.23 -5.00 105.19 108.01 1s24 n GLY 28 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.83 1.78 0.04 2.61 2.01 0.01 -5.02 115.64 116.23 1s24 s THR 29 Ca 0.00 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.16 1s24 s THR 29 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1s24 s THR 29 CO 0.00 0.50 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.07 1s24 s ARG 30 N -0.17 1.56 0.21 4.92 0.52 -1.26 -4.29 118.95 120.45 1s24 s ARG 30 Ca -0.01 -0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 1s24 s ARG 30 Cb -0.12 -1.69 0.27 0.00 0.52 0.00 0.00 34.95 33.93 1s24 s ARG 30 CO 0.02 0.44 1.64 0.35 0.02 0.00 0.00 175.30 177.77 1s24 h PHE 31 N 4.89 -0.20 -0.45 -0.53 3.57 -1.95 1.07 116.94 123.35 1s24 h PHE 31 Ca -0.44 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.24 1s24 h PHE 31 Cb 1.15 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1s24 h PHE 31 CO 0.49 -0.23 0.43 1.49 -2.23 0.00 0.00 178.31 178.26 1s24 h GLU 32 N 0.05 0.00 -0.64 1.11 4.81 -2.04 1.03 114.58 118.90 1s24 h GLU 32 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1s24 h GLU 32 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1s24 h GLU 32 CO -0.60 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.21 1s24 n ASP 33 N -3.87 4.80 -3.25 1.04 2.03 0.36 -4.55 116.55 113.11 1s24 n ASP 33 Ca 0.08 -2.58 -0.26 0.00 0.52 0.00 0.00 54.79 52.55 1s24 n ASP 33 Cb 0.62 -0.60 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.87 2.00 1.05 5.18 5.41 0.36 -4.78 119.36 129.45 1s24 n ILE 34 Ca 0.25 -5.12 0.02 0.00 1.00 0.00 0.00 62.75 58.90 1s24 n ILE 34 Cb 0.94 -1.79 0.09 0.00 -0.71 0.00 0.00 39.64 38.17 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 0.60 1.64 -0.95 0.38 -0.04 -1.26 -4.31 135.00 131.06 1s24 n PRO 35 Ca 0.29 -0.68 -0.16 0.00 -0.04 0.00 0.00 63.50 62.90 1s24 n PRO 35 Cb 0.44 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s24 n ASP 36 N 0.07 6.30 -2.26 3.54 9.92 -1.26 -4.78 116.55 128.09 1s24 n ASP 36 Ca 0.06 -2.99 -0.09 0.00 -0.53 0.00 0.00 54.79 51.24 1s24 n ASP 36 Cb 0.29 -1.11 -0.01 0.00 -0.64 0.00 0.00 41.12 39.66 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s24 n ASP 37 N 0.64 -2.99 -4.56 -2.24 -0.08 -1.26 -4.85 116.55 101.20 1s24 n ASP 37 Ca 0.30 0.27 -0.37 0.00 -1.51 0.00 0.00 54.79 53.48 1s24 n ASP 37 Cb 0.58 -2.64 0.06 0.00 2.34 0.00 0.00 41.12 41.46 1s24 n ASP 37 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1s24 n TRP 38 N -2.89 0.18 -3.30 -0.67 -0.00 -1.26 -4.87 117.44 104.63 1s24 n TRP 38 Ca -0.10 0.40 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1s24 n TRP 38 Cb 0.53 -2.04 0.00 0.00 -0.00 0.00 0.00 31.31 29.80 1s24 n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s24 h PRO 41 N -1.12 0.27 0.00 0.00 0.11 -2.00 -3.43 132.00 125.83 1s24 h PRO 41 Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1s24 h PRO 41 Cb 1.33 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 1s24 h PRO 41 CO 0.65 0.18 0.17 -3.47 -0.21 0.00 0.00 178.00 175.32 1s24 n ASP 42 N -4.99 -1.07 0.00 -2.05 2.03 -1.26 -5.03 116.55 104.18 1s24 n ASP 42 Ca -0.00 -1.61 0.00 0.00 0.52 0.00 0.00 54.79 53.70 1s24 n ASP 42 Cb 0.09 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.53 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 -1.09 -0.47 1.33 0.00 0.00 -1.26 -4.84 105.19 98.86 1s24 n GLY 44 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.26 -3.50 -0.23 4.61 0.00 -1.26 -4.71 120.51 112.16 1s24 n ALA 45 Ca -0.41 0.74 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1s24 n ALA 45 Cb 0.98 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -4.12 0.00 0.00 0.00 -2.24 -1.26 -4.44 114.28 102.22 1s24 n THR 46 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1s24 n THR 46 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.06 1.13 0.03 -0.78 5.02 -1.26 -4.45 118.16 117.79 1s24 n LYS 47 Ca 0.00 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.49 1s24 n LYS 47 Cb 0.00 -0.94 0.71 0.00 -0.02 0.00 0.00 35.03 34.78 1s24 n LYS 47 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1s24 h GLU 48 N 0.00 0.00 0.00 1.97 3.07 -1.94 0.41 114.58 118.09 1s24 h GLU 48 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1s24 h GLU 48 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1s24 h GLU 48 CO 0.00 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.17 1s24 h ASP 49 N 0.00 0.00 -2.97 1.42 5.19 -1.83 -3.43 116.42 114.79 1s24 h ASP 49 Ca 0.23 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 56.02 1s24 h ASP 49 Cb 1.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.43 1s24 h ASP 49 CO -0.00 0.00 -0.36 -0.31 -3.12 0.00 0.00 179.24 175.44 1s24 s TYR 50 N -3.38 3.58 0.13 4.55 2.02 0.14 -0.96 117.35 123.44 1s24 s TYR 50 Ca 0.05 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1s24 s TYR 50 Cb 0.09 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1s24 s TYR 50 CO 0.54 0.54 -0.01 0.14 -1.57 0.00 0.00 175.55 175.19 1s24 s VAL 51 N -0.51 0.56 -0.22 0.71 -7.23 -0.81 -4.96 120.40 107.95 1s24 s VAL 51 Ca 0.17 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 1s24 s VAL 51 Cb -0.13 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 1s24 s VAL 51 CO 0.06 -0.64 1.20 -0.22 -0.31 0.00 0.00 175.10 175.19 1s24 s LEU 52 N -3.10 4.09 0.34 1.32 0.20 -1.26 -1.10 118.68 119.18 1s24 s LEU 52 Ca 0.19 1.48 -0.29 0.00 0.69 0.00 0.00 54.13 56.20 1s24 s LEU 52 Cb 0.06 -3.54 -0.11 0.00 -0.43 0.00 0.00 46.19 42.17 1s24 s LEU 52 CO -0.00 -0.81 1.54 -0.47 -0.29 0.00 0.00 176.35 176.32 1s24 s TYR 53 N 3.60 2.65 -0.17 5.38 5.04 -0.87 -4.03 117.35 128.94 1s24 s TYR 53 Ca 0.52 1.00 -0.01 0.00 -2.44 0.00 0.00 57.07 56.14 1s24 s TYR 53 Cb -0.18 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.08 1s24 s TYR 53 CO 0.14 -3.28 0.02 0.39 -1.34 0.00 0.00 175.55 171.48 1s24 n GLU 54 N 1.19 -2.25 -2.93 4.97 1.02 -1.26 -4.84 120.64 116.53 1s24 n GLU 54 Ca 0.04 2.00 -0.43 0.00 -0.02 0.00 0.00 57.16 58.75 1s24 n GLU 54 Cb 0.38 -3.50 0.01 0.00 -0.02 0.00 0.00 31.44 28.31 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 1.07 3.96 0.00 3.49 2.13 -1.26 -5.12 120.64 124.91 1s24 n GLU 55 Ca -0.03 -4.23 0.10 0.00 0.66 0.00 0.00 57.16 53.66 1s24 n GLU 55 Cb 0.23 -2.67 0.61 0.00 0.27 0.00 0.00 31.44 29.88 1s24 n GLU 55 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35