#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgb s ARG 3 N 0.00 2.98 0.15 0.54 0.52 -1.26 -1.64 118.95 120.25 2dgb s ARG 3 Ca 0.00 -0.41 0.07 0.00 -0.52 0.00 0.00 55.73 54.87 2dgb s ARG 3 Cb 0.00 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 2dgb s ARG 3 CO 0.00 0.70 -0.14 0.71 0.02 0.00 0.00 175.30 176.59 2dgb s TYR 4 N -0.90 1.53 -0.12 -0.53 2.02 -0.07 -0.54 117.35 118.74 2dgb s TYR 4 Ca 0.14 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2dgb s TYR 4 Cb -0.11 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 2dgb s TYR 4 CO 0.03 0.22 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.94 2dgb s GLN 5 N -3.07 2.26 -0.09 -0.62 0.74 -0.37 -1.04 119.66 117.47 2dgb s GLN 5 Ca 0.14 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 55.00 2dgb s GLN 5 Cb -0.03 -1.96 -0.02 0.00 1.10 0.00 0.00 33.01 32.10 2dgb s GLN 5 CO 0.04 -0.11 -0.12 0.00 -0.55 0.00 0.00 175.29 174.55 2dgb s ALA 6 N 1.12 2.72 -0.36 1.58 0.00 0.55 -2.18 121.76 125.19 2dgb s ALA 6 Ca -0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 2dgb s ALA 6 Cb -0.14 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.88 2dgb s ALA 6 CO -0.04 0.43 0.17 0.99 0.00 0.00 0.00 175.76 177.32 2dgb s THR 7 N -0.31 4.29 -0.10 0.00 2.01 0.94 -0.40 115.64 122.08 2dgb s THR 7 Ca 0.03 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 2dgb s THR 7 Cb -0.13 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2dgb s THR 7 CO 0.03 -0.23 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.92 2dgb s LEU 8 N 1.50 3.28 -0.16 4.42 1.43 -0.20 -0.64 118.68 128.31 2dgb s LEU 8 Ca 0.01 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2dgb s LEU 8 Cb -0.19 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2dgb s LEU 8 CO 0.05 0.29 -0.05 -0.76 0.23 0.00 0.00 176.35 176.11 2dgb s LEU 9 N -0.39 3.12 -0.28 1.79 1.43 0.12 -0.44 118.68 124.03 2dgb s LEU 9 Ca 0.06 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2dgb s LEU 9 Cb -0.12 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.42 2dgb s LEU 9 CO 0.02 0.15 -0.06 -0.63 0.23 0.00 0.00 176.35 176.06 2dgb s ILE 10 N 0.45 2.36 0.14 -0.59 1.01 0.11 -0.84 121.20 123.85 2dgb s ILE 10 Ca -0.05 -1.71 0.09 0.00 0.00 0.00 0.00 60.65 58.99 2dgb s ILE 10 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2dgb s ILE 10 CO 0.03 -0.14 -0.22 -1.61 0.00 0.00 0.00 174.94 173.00 2dgb s GLU 11 N 1.10 1.29 0.52 2.79 2.02 -0.39 -0.23 118.70 125.79 2dgb s GLU 11 Ca -0.05 -1.33 -0.22 0.00 0.02 0.00 0.00 54.97 53.39 2dgb s GLU 11 Cb -0.20 -1.56 -0.06 0.00 0.10 0.00 0.00 34.13 32.41 2dgb s GLU 11 CO -0.05 0.35 1.27 -0.51 0.02 0.00 0.00 175.26 176.35 2dgb s LEU 12 N -2.28 3.90 0.64 1.80 1.43 -1.26 -1.04 118.68 121.87 2dgb s LEU 12 Ca 0.13 2.57 -0.12 0.00 -1.03 0.00 0.00 54.13 55.67 2dgb s LEU 12 Cb -0.08 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 2dgb s LEU 12 CO 0.06 -1.32 1.05 -0.54 0.23 0.00 0.00 176.35 175.83 2dgb s LYS 13 N -2.85 3.24 0.27 1.70 1.02 -1.26 -4.78 119.74 117.08 2dgb s LYS 13 Ca 0.69 0.97 -0.30 0.00 0.02 0.00 0.00 55.97 57.35 2dgb s LYS 13 Cb -0.35 -2.03 -0.13 0.00 -0.52 0.00 0.00 37.83 34.80 2dgb s LYS 13 CO 0.42 -0.86 1.43 1.17 -0.92 0.00 0.00 175.35 176.59 2dgb n LYS 14 N -2.67 2.22 0.00 1.68 3.00 -1.26 -2.19 118.16 118.93 2dgb n LYS 14 Ca 0.07 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 59.17 2dgb n LYS 14 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 33.11 2dgb n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dgb n GLY 15 N 1.85 3.30 3.77 3.14 0.00 -1.26 -5.04 105.19 110.95 2dgb n GLY 15 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2dgb n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dgb s ILE 16 N -2.29 3.40 0.33 -0.61 -1.09 -0.93 -4.98 121.20 115.03 2dgb s ILE 16 Ca 0.00 1.27 -0.29 0.00 -2.23 0.00 0.00 60.65 59.40 2dgb s ILE 16 Cb 0.00 -3.75 -0.11 0.00 -1.58 0.00 0.00 42.46 37.02 2dgb s ILE 16 CO 0.00 0.19 1.44 -0.76 -1.23 0.00 0.00 174.94 174.59 2dgb s LEU 17 N -2.02 4.37 -0.52 2.97 2.01 -1.26 -4.95 118.68 119.27 2dgb s LEU 17 Ca 0.51 2.86 0.04 0.00 0.01 0.00 0.00 54.13 57.55 2dgb s LEU 17 Cb -0.30 -3.65 0.17 0.00 0.01 0.00 0.00 46.19 42.42 2dgb s LEU 17 CO 0.38 -0.75 0.38 -0.62 1.01 0.00 0.00 176.35 176.75 2dgb s ASP 18 N -0.04 2.87 0.27 2.29 -1.08 -1.26 -4.98 116.67 114.74 2dgb s ASP 18 Ca 0.55 -3.28 -0.02 0.00 -0.52 0.00 0.00 52.55 49.28 2dgb s ASP 18 Cb -0.44 -0.91 0.44 0.00 -1.46 0.00 0.00 42.92 40.55 2dgb s ASP 18 CO 0.54 -0.15 1.86 -0.65 0.52 0.00 0.00 175.17 177.29 2dgb h PRO 19 N 5.69 1.06 -0.44 4.34 0.11 -1.98 -0.78 132.00 140.02 2dgb h PRO 19 Ca 0.19 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 2dgb h PRO 19 Cb 0.86 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2dgb h PRO 19 CO 0.50 0.70 -0.04 1.96 -0.21 0.00 0.00 178.00 180.91 2dgb h GLN 20 N 1.10 0.80 -0.70 1.05 4.20 -1.95 -0.85 115.11 118.75 2dgb h GLN 20 Ca 0.45 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2dgb h GLN 20 Cb 0.27 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2dgb h GLN 20 CO -0.20 0.89 0.35 0.78 -0.67 0.00 0.00 178.83 179.98 2dgb h GLY 21 N 0.64 1.07 1.00 3.46 0.00 -1.59 -1.33 103.07 106.32 2dgb h GLY 21 Ca 0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2dgb h GLY 21 CO 0.03 0.50 0.24 3.21 0.00 0.00 0.00 176.54 180.52 2dgb h ARG 22 N 0.97 0.90 -0.38 4.80 2.47 -0.94 -1.31 114.38 120.90 2dgb h ARG 22 Ca 0.24 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2dgb h ARG 22 Cb 0.10 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 2dgb h ARG 22 CO -0.03 0.76 0.21 0.00 0.56 0.00 0.00 179.97 181.47 2dgb h ALA 23 N 1.09 0.47 -0.93 0.04 0.00 -0.72 -1.72 119.26 117.50 2dgb h ALA 23 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2dgb h ALA 23 Cb 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2dgb h ALA 23 CO -0.02 -0.14 0.60 0.28 0.00 0.00 0.00 179.25 179.97 2dgb h VAL 24 N 0.42 1.24 -0.71 0.00 2.07 -0.92 -1.01 116.25 117.35 2dgb h VAL 24 Ca 0.15 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.23 2dgb h VAL 24 Cb 0.03 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.65 2dgb h VAL 24 CO -0.09 0.24 0.45 -0.33 0.02 0.00 0.00 177.57 177.86 2dgb h GLU 25 N 1.26 0.86 -0.94 1.57 5.08 -0.79 -1.06 114.58 120.57 2dgb h GLU 25 Ca 0.34 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2dgb h GLU 25 Cb -0.12 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 28.89 2dgb h GLU 25 CO -0.07 0.57 0.57 0.78 -1.00 0.00 0.00 179.01 179.86 2dgb h GLY 26 N 0.89 1.37 0.96 -3.84 0.00 -0.38 0.07 103.07 102.13 2dgb h GLY 26 Ca 0.28 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2dgb h GLY 26 CO -0.10 0.55 -0.06 -2.08 0.00 0.00 0.00 176.54 174.86 2dgb h VAL 27 N 1.30 0.91 -0.47 4.60 2.07 -0.44 -0.04 116.25 124.17 2dgb h VAL 27 Ca 0.34 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.78 2dgb h VAL 27 Cb -0.06 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2dgb h VAL 27 CO -0.06 0.02 0.30 -0.07 0.02 0.00 0.00 177.57 177.78 2dgb h LEU 28 N -0.20 0.50 -0.22 2.57 3.38 -0.91 -1.99 115.31 118.43 2dgb h LEU 28 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dgb h LEU 28 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dgb h LEU 28 CO 0.03 0.36 0.14 0.11 0.09 0.00 0.00 178.44 179.16 2dgb h LYS 29 N 0.60 0.30 0.00 1.13 1.57 -0.81 0.59 116.57 119.95 2dgb h LYS 29 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2dgb h LYS 29 Cb -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2dgb h LYS 29 CO -0.06 0.22 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.58 2dgb h ASP 30 N 0.29 0.00 -0.36 0.86 3.32 -0.78 -1.27 116.42 118.48 2dgb h ASP 30 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2dgb h ASP 30 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2dgb h ASP 30 CO -0.02 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 2dgb n LEU 31 N -4.39 2.72 -0.02 1.55 4.32 -0.77 -4.91 117.00 115.50 2dgb n LEU 31 Ca -0.03 -1.37 -0.00 0.00 -0.02 0.00 0.00 56.01 54.59 2dgb n LEU 31 Cb 0.11 -0.41 -0.00 0.00 -1.62 0.00 0.00 43.42 41.50 2dgb n LEU 31 CO 0.33 0.50 -0.00 0.61 -1.22 0.00 0.00 177.39 177.61 2dgb n GLY 32 N 0.79 0.45 3.31 -0.72 0.00 -0.48 -5.03 105.19 103.50 2dgb n GLY 32 Ca 0.14 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 2dgb n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dgb s HIS 33 N -2.00 3.29 0.23 1.61 3.76 0.14 -5.00 115.29 117.32 2dgb s HIS 33 Ca 0.00 -1.31 -0.32 0.00 -0.15 0.00 0.00 55.06 53.29 2dgb s HIS 33 Cb 0.00 -2.63 -0.12 0.00 1.11 0.00 0.00 32.58 30.93 2dgb s HIS 33 CO 0.00 -0.75 1.62 -2.30 -0.85 0.00 0.00 174.74 172.45 2dgb n PRO 34 N 4.93 2.55 -3.75 8.40 -0.02 -1.26 -3.75 135.00 142.10 2dgb n PRO 34 Ca -0.11 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2dgb n PRO 34 Cb 0.44 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 2dgb n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dgb s VAL 35 N 0.58 -0.04 -0.04 -1.45 0.11 -1.26 -5.03 120.40 113.27 2dgb s VAL 35 Ca 0.71 0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 59.70 2dgb s VAL 35 Cb -0.55 -0.32 -0.32 0.00 -1.53 0.00 0.00 36.38 33.66 2dgb s VAL 35 CO 0.41 0.05 0.86 -0.08 -3.33 0.00 0.00 175.10 173.01 2dgb h GLU 36 N 6.97 0.35 -1.82 1.54 4.81 -2.00 -3.49 114.58 120.95 2dgb h GLU 36 Ca -0.39 -0.59 -0.00 0.00 -0.13 0.00 0.00 59.36 58.25 2dgb h GLU 36 Cb 1.16 0.22 -0.21 0.00 0.63 0.00 0.00 28.75 30.55 2dgb h GLU 36 CO 0.39 1.28 0.33 -2.00 -0.73 0.00 0.00 179.01 178.28 2dgb s GLU 37 N -2.47 0.85 -0.10 1.92 2.12 -1.26 -5.14 118.70 114.61 2dgb s GLU 37 Ca -0.14 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 2dgb s GLU 37 Cb 0.02 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.85 2dgb s GLU 37 CO 0.85 -0.25 0.01 0.08 -0.54 0.00 0.00 175.26 175.41 2dgb s VAL 38 N -0.98 0.38 -0.21 3.70 1.01 -1.26 -5.05 120.40 117.98 2dgb s VAL 38 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 2dgb s VAL 38 Cb -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2dgb s VAL 38 CO 0.05 0.15 0.05 -0.13 0.00 0.00 0.00 175.10 175.22 2dgb s ARG 39 N 1.96 3.74 -0.19 2.72 0.52 -1.26 -4.29 118.95 122.15 2dgb s ARG 39 Ca 0.04 -0.45 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 2dgb s ARG 39 Cb -0.13 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2dgb s ARG 39 CO -0.06 0.02 0.10 0.08 0.02 0.00 0.00 175.30 175.46 2dgb s VAL 40 N 1.03 5.10 0.15 3.52 1.01 -1.26 -4.96 120.40 124.99 2dgb s VAL 40 Ca 0.03 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2dgb s VAL 40 Cb -0.14 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2dgb s VAL 40 CO 0.03 0.46 0.07 0.61 0.00 0.00 0.00 175.10 176.27 2dgb n GLY 41 N 3.46 3.72 3.60 4.51 0.00 -1.26 -4.57 105.19 114.64 2dgb n GLY 41 Ca -0.16 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 2dgb n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dgb s LYS 42 N -2.58 2.79 -0.11 1.61 3.01 0.68 -4.96 119.74 120.18 2dgb s LYS 42 Ca 0.10 -0.53 0.03 0.00 -1.01 0.00 0.00 55.97 54.57 2dgb s LYS 42 Cb 0.00 -2.62 0.01 0.00 -1.01 0.00 0.00 37.83 34.21 2dgb s LYS 42 CO 0.07 0.67 -0.22 0.54 0.51 0.00 0.00 175.35 176.92 2dgb s VAL 43 N -0.81 1.92 -0.14 3.17 0.11 -1.26 0.09 120.40 123.48 2dgb s VAL 43 Ca 0.12 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2dgb s VAL 43 Cb -0.11 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 2dgb s VAL 43 CO 0.02 0.53 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.36 2dgb s LEU 44 N 0.56 2.29 -0.36 2.54 1.43 0.42 -4.97 118.68 120.59 2dgb s LEU 44 Ca -0.14 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 2dgb s LEU 44 Cb -0.17 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2dgb s LEU 44 CO 0.04 0.11 0.25 -1.61 0.23 0.00 0.00 176.35 175.37 2dgb s GLU 45 N 0.67 3.22 -0.22 1.70 0.41 -1.26 -1.04 118.70 122.20 2dgb s GLU 45 Ca -0.09 -0.83 -0.03 0.00 -0.41 0.00 0.00 54.97 53.61 2dgb s GLU 45 Cb -0.16 -3.83 -0.00 0.00 -1.78 0.00 0.00 34.13 28.35 2dgb s GLU 45 CO 0.02 -0.57 -0.07 0.42 -0.49 0.00 0.00 175.26 174.56 2dgb s ILE 46 N 1.68 3.13 -0.22 -1.63 1.01 0.47 -4.93 121.20 120.70 2dgb s ILE 46 Ca 0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2dgb s ILE 46 Cb -0.18 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2dgb s ILE 46 CO 0.09 0.43 0.12 -0.69 0.00 0.00 0.00 174.94 174.90 2dgb s VAL 47 N 1.44 5.09 0.13 2.92 1.01 -1.26 -0.33 120.40 129.41 2dgb s VAL 47 Ca 0.05 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2dgb s VAL 47 Cb -0.14 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.96 2dgb s VAL 47 CO -0.05 0.38 0.61 0.72 0.00 0.00 0.00 175.10 176.76 2dgb s PHE 48 N 0.89 -0.56 0.41 5.22 -0.12 -0.20 -4.98 117.98 118.63 2dgb s PHE 48 Ca 0.06 0.45 -0.12 0.00 -0.05 0.00 0.00 56.93 57.27 2dgb s PHE 48 Cb -0.13 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.73 2dgb s PHE 48 CO 0.03 -0.81 0.79 -1.25 -0.05 0.00 0.00 175.22 173.93 2dgb s PRO 49 N -3.37 3.83 -0.01 1.99 0.04 -1.26 -0.89 135.00 135.34 2dgb s PRO 49 Ca -0.01 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.31 2dgb s PRO 49 Cb -0.01 -2.36 0.09 0.00 0.04 0.00 0.00 34.50 32.26 2dgb s PRO 49 CO -0.10 -0.04 0.81 0.00 0.04 0.00 0.00 177.00 177.71 2dgb s ALA 50 N -2.35 -1.78 0.20 8.56 0.00 -0.65 -4.92 121.76 120.81 2dgb s ALA 50 Ca 0.53 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 2dgb s ALA 50 Cb -0.10 0.23 0.12 0.00 0.00 0.00 0.00 23.12 23.37 2dgb s ALA 50 CO 0.29 -0.58 1.63 0.93 0.00 0.00 0.00 175.76 178.04 2dgb h GLU 51 N 2.29 0.94 -3.36 0.00 4.39 -1.95 -1.89 114.58 115.01 2dgb h GLU 51 Ca -0.25 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 2dgb h GLU 51 Cb 1.22 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2dgb h GLU 51 CO 0.34 1.00 0.10 0.54 -1.16 0.00 0.00 179.01 179.83 2dgb s ASN 52 N -6.67 0.18 0.24 1.42 4.22 -1.26 -4.52 114.94 108.55 2dgb s ASN 52 Ca -0.11 -1.13 -0.05 0.00 -2.14 0.00 0.00 52.86 49.43 2dgb s ASN 52 Cb 0.13 0.76 0.25 0.00 1.28 0.00 0.00 41.25 43.67 2dgb s ASN 52 CO 0.85 -1.48 1.82 0.25 -2.04 0.00 0.00 177.10 176.50 2dgb h LEU 53 N 2.06 1.02 0.35 3.54 5.85 -1.99 -0.92 115.31 125.22 2dgb h LEU 53 Ca -0.29 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2dgb h LEU 53 Cb 1.25 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2dgb h LEU 53 CO 0.37 0.89 -0.17 0.25 -0.34 0.00 0.00 178.44 179.44 2dgb h LEU 54 N 1.09 -0.40 -1.23 2.25 5.85 -2.00 -1.34 115.31 119.53 2dgb h LEU 54 Ca 0.26 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2dgb h LEU 54 Cb 0.17 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2dgb h LEU 54 CO -0.03 -0.25 0.31 -0.08 -0.34 0.00 0.00 178.44 178.06 2dgb h GLU 55 N -0.51 0.84 -0.70 1.25 4.81 -1.95 -1.89 114.58 116.42 2dgb h GLU 55 Ca -0.05 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2dgb h GLU 55 Cb 0.39 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2dgb h GLU 55 CO 0.08 0.63 0.44 0.00 -0.73 0.00 0.00 179.01 179.44 2dgb h ALA 56 N 1.50 0.92 -0.44 2.92 0.00 -0.88 0.02 119.26 123.29 2dgb h ALA 56 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2dgb h ALA 56 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2dgb h ALA 56 CO -0.03 0.23 0.25 1.49 0.00 0.00 0.00 179.25 181.19 2dgb h GLU 57 N 0.87 0.61 0.20 0.00 4.81 -0.50 -0.03 114.58 120.55 2dgb h GLU 57 Ca 0.28 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2dgb h GLU 57 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2dgb h GLU 57 CO -0.10 0.47 -0.14 1.49 -0.73 0.00 0.00 179.01 180.00 2dgb h GLU 58 N 0.58 -0.33 -0.77 1.92 4.57 -0.76 -1.73 114.58 118.06 2dgb h GLU 58 Ca 0.16 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 2dgb h GLU 58 Cb 0.03 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 2dgb h GLU 58 CO -0.03 -0.22 0.47 0.87 -1.18 0.00 0.00 179.01 178.93 2dgb h LYS 59 N -0.34 0.86 -0.52 1.92 1.57 -0.82 -1.68 116.57 117.56 2dgb h LYS 59 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2dgb h LYS 59 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2dgb h LYS 59 CO 0.00 0.57 0.33 0.00 -0.57 0.00 0.00 179.45 179.78 2dgb h ALA 60 N 1.36 0.66 -0.70 3.86 0.00 -0.73 -2.71 119.26 121.01 2dgb h ALA 60 Ca 0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2dgb h ALA 60 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2dgb h ALA 60 CO -0.15 0.13 0.16 0.87 0.00 0.00 0.00 179.25 180.25 2dgb h LYS 61 N 0.70 1.13 -0.92 0.00 1.57 -0.93 -1.09 116.57 117.03 2dgb h LYS 61 Ca 0.19 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2dgb h LYS 61 Cb -0.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2dgb h LYS 61 CO -0.04 1.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.85 2dgb n ALA 62 N -2.46 1.37 0.00 3.86 0.00 -0.67 -1.21 120.51 121.40 2dgb n ALA 62 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2dgb n ALA 62 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2dgb n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dgb n GLY 64 N 0.67 0.00 0.23 0.00 0.00 -0.41 -2.03 105.19 103.65 2dgb n GLY 64 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2dgb n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgb h ALA 65 N 0.00 1.53 0.08 4.61 0.00 -1.43 -1.63 119.26 122.41 2dgb h ALA 65 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 2dgb h ALA 65 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2dgb h ALA 65 CO 0.00 0.23 -1.12 -0.07 0.00 0.00 0.00 179.25 178.28 2dgb h LEU 66 N 0.00 0.40 0.00 0.00 3.38 -1.67 -3.33 115.31 114.09 2dgb h LEU 66 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2dgb h LEU 66 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2dgb h LEU 66 CO 0.02 1.27 -0.68 -0.07 0.09 0.00 0.00 178.44 179.07 2dgb h LEU 67 N 0.11 0.00 -9.55 1.67 3.38 -1.78 -3.46 115.31 105.67 2dgb h LEU 67 Ca -0.11 -0.04 -0.56 0.00 0.09 0.00 0.00 57.88 57.26 2dgb h LEU 67 Cb 1.82 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.53 2dgb h LEU 67 CO 0.18 0.02 0.05 0.00 0.09 0.00 0.00 178.44 178.78 2dgb s ALA 68 N -3.28 3.45 -0.79 1.53 0.00 -0.64 -5.01 121.76 117.02 2dgb s ALA 68 Ca 0.03 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 2dgb s ALA 68 Cb 0.09 -2.83 0.06 0.00 0.00 0.00 0.00 23.12 20.45 2dgb s ALA 68 CO 0.74 0.15 1.19 1.21 0.00 0.00 0.00 175.76 179.05 2dgb s ASN 69 N -0.25 6.30 0.22 0.00 3.04 -1.26 -4.90 114.94 118.09 2dgb s ASN 69 Ca 0.33 -1.05 0.06 0.00 0.04 0.00 0.00 52.86 52.25 2dgb s ASN 69 Cb -0.19 -2.49 0.33 0.00 -1.54 0.00 0.00 41.25 37.36 2dgb s ASN 69 CO 0.20 -1.53 0.99 -0.81 -3.04 0.00 0.00 177.10 172.90 2dgb n PRO 70 N 8.33 0.05 -0.85 0.43 -0.04 -1.26 -0.82 135.00 140.83 2dgb n PRO 70 Ca 0.10 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 64.00 2dgb n PRO 70 Cb 0.48 -2.03 0.32 0.00 -0.04 0.00 0.00 33.50 32.24 2dgb n PRO 70 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dgb n VAL 71 N -1.71 2.73 0.00 0.52 0.31 -1.26 -4.97 118.33 113.95 2dgb n VAL 71 Ca -0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 64.34 62.64 2dgb n VAL 71 Cb 0.39 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2dgb n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dgb n GLU 73 N -0.04 0.00 -3.91 5.55 1.02 -0.00 -5.01 120.64 118.24 2dgb n GLU 73 Ca 0.32 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.36 2dgb n GLU 73 Cb 1.20 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 32.51 2dgb n GLU 73 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2dgb s VAL 74 N 0.00 0.08 0.19 2.62 -7.23 -0.20 -4.79 120.40 111.06 2dgb s VAL 74 Ca 0.00 -0.64 0.11 0.00 -1.81 0.00 0.00 61.98 59.64 2dgb s VAL 74 Cb 0.00 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 2dgb s VAL 74 CO 0.00 -0.35 -0.23 -0.72 -0.31 0.00 0.00 175.10 173.49 2dgb s TYR 75 N -1.11 2.19 -0.04 2.82 -0.85 -1.26 -1.27 117.35 117.83 2dgb s TYR 75 Ca -0.12 -0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 56.00 2dgb s TYR 75 Cb -0.07 -1.09 0.01 0.00 0.38 0.00 0.00 41.96 41.19 2dgb s TYR 75 CO 0.00 0.46 0.13 0.00 -1.52 0.00 0.00 175.55 174.62 2dgb s ALA 76 N -1.73 -0.31 -0.76 9.51 0.00 -0.02 -4.97 121.76 123.48 2dgb s ALA 76 Ca 0.19 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 2dgb s ALA 76 Cb -0.08 -0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.02 2dgb s ALA 76 CO 0.09 -0.10 0.94 -1.17 0.00 0.00 0.00 175.76 175.52 2dgb s LEU 77 N -0.27 5.11 0.29 0.00 2.96 -1.26 -0.70 118.68 124.79 2dgb s LEU 77 Ca -0.04 -1.65 0.13 0.00 -0.22 0.00 0.00 54.13 52.35 2dgb s LEU 77 Cb -0.03 -2.36 0.37 0.00 0.50 0.00 0.00 46.19 44.67 2dgb s LEU 77 CO 0.00 -1.14 1.60 -0.08 -1.32 0.00 0.00 176.35 175.42 2dgb h GLU 78 N 9.04 0.00 -1.92 1.98 4.22 -1.24 -3.47 114.58 123.19 2dgb h GLU 78 Ca -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.32 2dgb h GLU 78 Cb 1.05 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.11 2dgb h GLU 78 CO 1.10 0.59 0.25 0.00 -2.18 0.00 0.00 179.01 178.77 2dgb s ALA 79 N -3.48 -1.80 -0.20 2.92 0.00 -1.14 -4.98 121.76 113.07 2dgb s ALA 79 Ca -0.00 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 2dgb s ALA 79 Cb 0.12 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.18 2dgb s ALA 79 CO 0.75 -0.36 0.49 -1.17 0.00 0.00 0.00 175.76 175.46 2dgb s LEU 80 N -1.17 -0.42 0.04 0.00 2.96 -1.26 -0.04 118.68 118.80 2dgb s LEU 80 Ca -0.09 1.08 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 2dgb s LEU 80 Cb -0.00 1.63 0.03 0.00 0.50 0.00 0.00 46.19 48.35 2dgb s LEU 80 CO 0.08 -0.21 0.40 -1.59 -1.32 0.00 0.00 176.35 173.71 2dgb s LYS 81 N 1.70 0.90 0.13 1.98 -2.85 -0.93 -5.01 119.74 115.67 2dgb s LYS 81 Ca -0.08 -0.38 -0.27 0.00 -1.00 0.00 0.00 55.97 54.24 2dgb s LYS 81 Cb -0.08 0.40 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 2dgb s LYS 81 CO -0.15 -0.31 0.84 -2.00 0.10 0.00 0.00 175.35 173.83 2dgb s GLU 82 N -2.48 4.62 0.24 1.78 2.12 -1.26 -1.24 118.70 122.48 2dgb s GLU 82 Ca -0.05 1.24 -0.04 0.00 0.36 0.00 0.00 54.97 56.48 2dgb s GLU 82 Cb -0.01 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 2dgb s GLU 82 CO -0.02 0.41 0.48 -0.51 -0.54 0.00 0.00 175.26 175.08 2dgb s LEU 83 N -0.63 4.15 0.00 2.70 1.43 0.29 -4.93 118.68 121.69 2dgb s LEU 83 Ca 0.39 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2dgb s LEU 83 Cb -0.23 -3.42 0.21 0.00 0.03 0.00 0.00 46.19 42.79 2dgb s LEU 83 CO 0.27 -0.11 0.69 -2.65 0.23 0.00 0.00 176.35 174.79