#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 3.07 0.05 0.54 0.52 -1.26 -1.66 118.95 120.21 2dgb s ARG 3 Ca 0.00 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2dgb s ARG 3 Cb 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2dgb s ARG 3 CO 0.00 0.62 -0.04 0.71 0.02 0.00 0.00 175.30 176.62 2dgb s TYR 4 N -1.28 0.55 -0.11 -0.53 2.02 0.08 -0.27 117.35 117.81 2dgb s TYR 4 Ca 0.26 -0.98 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 2dgb s TYR 4 Cb -0.12 -0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 2dgb s TYR 4 CO 0.18 -0.32 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.58 2dgb s GLN 5 N -3.62 1.78 -0.10 -0.62 0.74 0.14 -0.97 119.66 117.02 2dgb s GLN 5 Ca 0.05 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 2dgb s GLN 5 Cb 0.05 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.47 2dgb s GLN 5 CO -0.08 -0.17 -0.05 0.00 -0.55 0.00 0.00 175.29 174.44 2dgb s ALA 6 N 1.34 3.05 -0.46 1.58 0.00 0.59 -1.75 121.76 126.09 2dgb s ALA 6 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2dgb s ALA 6 Cb -0.14 -1.37 0.10 0.00 0.00 0.00 0.00 23.12 21.72 2dgb s ALA 6 CO -0.05 0.47 0.34 0.99 0.00 0.00 0.00 175.76 177.51 2dgb s THR 7 N -0.49 4.42 -0.20 0.00 2.01 -0.29 -0.60 115.64 120.49 2dgb s THR 7 Ca 0.08 -1.57 -0.07 0.00 0.31 0.00 0.00 61.69 60.44 2dgb s THR 7 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2dgb s THR 7 CO 0.02 -0.68 0.06 -0.76 -0.69 0.00 0.00 174.62 172.57 2dgb s LEU 8 N 1.43 3.66 -0.17 4.42 1.43 -0.16 -0.29 118.68 129.01 2dgb s LEU 8 Ca 0.04 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2dgb s LEU 8 Cb -0.25 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2dgb s LEU 8 CO 0.01 0.10 0.11 -0.76 0.23 0.00 0.00 176.35 176.04 2dgb s LEU 9 N 0.78 4.12 -0.25 1.79 1.43 -0.26 -0.67 118.68 125.62 2dgb s LEU 9 Ca 0.03 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2dgb s LEU 9 Cb -0.14 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2dgb s LEU 9 CO 0.02 0.25 -0.05 -0.63 0.23 0.00 0.00 176.35 176.17 2dgb s ILE 10 N -0.06 1.64 0.28 -0.59 1.01 -0.46 -1.03 121.20 121.99 2dgb s ILE 10 Ca 0.09 -1.36 0.08 0.00 0.00 0.00 0.00 60.65 59.45 2dgb s ILE 10 Cb -0.12 -1.91 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 2dgb s ILE 10 CO 0.00 -0.15 -0.09 -1.61 0.00 0.00 0.00 174.94 173.10 2dgb s GLU 11 N 1.33 1.56 0.35 2.79 2.02 -0.59 -2.00 118.70 124.16 2dgb s GLU 11 Ca -0.04 -1.78 -0.27 0.00 0.02 0.00 0.00 54.97 52.90 2dgb s GLU 11 Cb -0.19 -1.26 -0.09 0.00 0.10 0.00 0.00 34.13 32.68 2dgb s GLU 11 CO -0.07 0.09 1.09 -0.51 0.02 0.00 0.00 175.26 175.88 2dgb s LEU 12 N -3.45 4.33 0.62 1.80 1.43 -1.26 -0.75 118.68 121.39 2dgb s LEU 12 Ca 0.29 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 2dgb s LEU 12 Cb 0.02 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 2dgb s LEU 12 CO 0.12 -0.37 1.14 -0.54 0.23 0.00 0.00 176.35 176.93 2dgb s LYS 13 N -2.00 2.95 0.41 1.70 1.02 -1.26 -4.77 119.74 117.79 2dgb s LYS 13 Ca 0.52 1.56 -0.26 0.00 0.02 0.00 0.00 55.97 57.81 2dgb s LYS 13 Cb -0.28 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 2dgb s LYS 13 CO 0.35 -1.16 1.31 -1.59 -0.92 0.00 0.00 175.35 173.34 2dgb s LYS 14 N -3.69 3.93 0.00 1.68 -2.85 -1.26 -2.00 119.74 115.54 2dgb s LYS 14 Ca 0.71 2.18 0.00 0.00 -1.00 0.00 0.00 55.97 57.86 2dgb s LYS 14 Cb -0.24 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 32.80 2dgb s LYS 14 CO 0.36 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.68 2dgb n GLY 15 N 0.65 2.44 3.73 0.59 0.00 -1.26 -5.05 105.19 106.29 2dgb n GLY 15 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.50 4.23 0.10 -0.61 -1.09 -0.85 -4.98 121.20 115.51 2dgb s ILE 16 Ca 0.00 1.80 -0.31 0.00 -2.23 0.00 0.00 60.65 59.91 2dgb s ILE 16 Cb 0.00 -4.15 -0.08 0.00 -1.58 0.00 0.00 42.46 36.65 2dgb s ILE 16 CO 0.00 0.25 1.45 -0.22 -1.23 0.00 0.00 174.94 175.19 2dgb s LEU 17 N 0.16 4.36 -0.70 2.97 2.96 -1.26 -4.93 118.68 122.23 2dgb s LEU 17 Ca 0.50 2.36 0.03 0.00 -0.22 0.00 0.00 54.13 56.80 2dgb s LEU 17 Cb -0.26 -3.58 0.17 0.00 0.50 0.00 0.00 46.19 43.02 2dgb s LEU 17 CO 0.31 -0.71 0.51 -0.62 -1.32 0.00 0.00 176.35 174.52 2dgb s ASP 18 N 1.33 5.02 0.24 3.68 -1.08 -1.26 -4.97 116.67 119.63 2dgb s ASP 18 Ca 0.66 -3.59 -0.06 0.00 -0.52 0.00 0.00 52.55 49.04 2dgb s ASP 18 Cb -0.38 -1.72 0.33 0.00 -1.46 0.00 0.00 42.92 39.70 2dgb s ASP 18 CO 0.30 -0.16 1.84 1.55 0.52 0.00 0.00 175.17 179.22 2dgb h PRO 19 N 5.87 0.87 -0.41 4.34 0.13 -1.98 -1.32 132.00 139.51 2dgb h PRO 19 Ca 0.09 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2dgb h PRO 19 Cb 0.81 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 2dgb h PRO 19 CO 0.74 0.58 0.23 0.37 -0.23 0.00 0.00 178.00 179.69 2dgb h GLN 20 N 0.90 0.56 -0.90 0.86 5.75 -1.97 0.37 115.11 120.68 2dgb h GLN 20 Ca 0.37 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.82 2dgb h GLN 20 Cb 0.20 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 2dgb h GLN 20 CO -0.19 0.44 0.60 0.78 -2.65 0.00 0.00 178.83 177.81 2dgb h GLY 21 N 0.53 1.27 1.17 2.39 0.00 -1.64 -0.72 103.07 106.07 2dgb h GLY 21 Ca 0.14 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 2dgb h GLY 21 CO -0.02 0.46 -0.07 3.21 0.00 0.00 0.00 176.54 180.12 2dgb h ARG 22 N 1.22 0.98 -0.72 4.80 3.08 -0.63 -1.74 114.38 121.37 2dgb h ARG 22 Ca 0.33 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2dgb h ARG 22 Cb -0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 2dgb h ARG 22 CO -0.07 1.00 0.23 0.00 -1.07 0.00 0.00 179.97 180.07 2dgb h ALA 23 N 1.03 1.06 -0.50 0.04 0.00 -0.09 -2.51 119.26 118.29 2dgb h ALA 23 Ca 0.15 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2dgb h ALA 23 Cb 0.61 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2dgb h ALA 23 CO 0.04 0.64 -0.03 0.28 0.00 0.00 0.00 179.25 180.18 2dgb h VAL 24 N 1.06 1.27 -0.45 0.00 2.07 -0.85 -1.98 116.25 117.36 2dgb h VAL 24 Ca 0.23 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.68 2dgb h VAL 24 Cb 0.28 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2dgb h VAL 24 CO -0.01 0.39 0.19 -0.33 0.02 0.00 0.00 177.57 177.83 2dgb h GLU 25 N 0.75 0.37 -0.17 1.57 5.08 -1.11 0.13 114.58 121.19 2dgb h GLU 25 Ca 0.14 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2dgb h GLU 25 Cb 0.56 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2dgb h GLU 25 CO 0.03 0.24 0.04 0.78 -1.00 0.00 0.00 179.01 179.11 2dgb h GLY 26 N 0.38 0.20 1.16 -3.84 0.00 -1.22 -0.72 103.07 99.02 2dgb h GLY 26 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 2dgb h GLY 26 CO -0.19 0.01 -0.01 -2.08 0.00 0.00 0.00 176.54 174.27 2dgb h VAL 27 N 0.12 1.26 -0.88 4.60 2.07 -0.86 0.13 116.25 122.69 2dgb h VAL 27 Ca 0.08 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2dgb h VAL 27 Cb 0.06 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2dgb h VAL 27 CO -0.09 0.41 0.56 -0.07 0.02 0.00 0.00 177.57 178.39 2dgb h LEU 28 N 0.92 1.03 -0.07 2.57 3.38 -0.52 0.16 115.31 122.77 2dgb h LEU 28 Ca 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dgb h LEU 28 Cb 0.55 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dgb h LEU 28 CO 0.03 0.77 0.05 0.50 0.09 0.00 0.00 178.44 179.88 2dgb h LYS 29 N 1.20 0.10 -0.29 1.13 3.64 -0.58 0.33 116.57 122.09 2dgb h LYS 29 Ca 0.32 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2dgb h LYS 29 Cb -0.09 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2dgb h LYS 29 CO -0.06 0.10 0.19 -0.44 -2.27 0.00 0.00 179.45 176.97 2dgb h ASP 30 N 0.07 0.25 -0.12 4.20 3.32 -0.23 -1.74 116.42 122.16 2dgb h ASP 30 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2dgb h ASP 30 Cb 0.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2dgb h ASP 30 CO -0.01 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.87 2dgb n LEU 31 N -4.49 1.41 0.00 1.55 4.77 0.48 -4.92 117.00 115.80 2dgb n LEU 31 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2dgb n LEU 31 Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2dgb n LEU 31 CO 0.35 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2dgb n GLY 32 N 1.09 0.81 2.71 -0.72 0.00 -0.66 -5.00 105.19 103.42 2dgb n GLY 32 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2dgb n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dgb n HIS 33 N -2.30 3.71 -1.68 1.61 8.25 0.11 -4.99 115.22 119.93 2dgb n HIS 33 Ca 0.00 -3.90 -0.45 0.00 -0.26 0.00 0.00 57.72 53.11 2dgb n HIS 33 Cb 0.00 -0.61 -0.04 0.00 1.12 0.00 0.00 29.99 30.46 2dgb n HIS 33 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2dgb n PRO 34 N 0.31 2.32 -4.44 -0.41 -0.02 -1.26 -4.06 135.00 127.44 2dgb n PRO 34 Ca 0.31 0.84 -0.22 0.00 -2.02 0.00 0.00 63.50 62.42 2dgb n PRO 34 Cb 0.39 -2.65 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 2dgb n PRO 34 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2dgb s VAL 35 N 1.56 1.52 0.01 -1.45 -7.23 -1.26 -5.00 120.40 108.56 2dgb s VAL 35 Ca 0.80 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2dgb s VAL 35 Cb -0.63 -2.58 -0.29 0.00 0.56 0.00 0.00 36.38 33.44 2dgb s VAL 35 CO 0.39 -0.20 0.88 -0.08 -0.31 0.00 0.00 175.10 175.78 2dgb h GLU 36 N 2.21 0.29 -1.53 4.82 4.81 -1.99 -3.49 114.58 119.71 2dgb h GLU 36 Ca -0.40 -0.50 0.09 0.00 -0.13 0.00 0.00 59.36 58.41 2dgb h GLU 36 Cb 1.24 0.19 -0.25 0.00 0.63 0.00 0.00 28.75 30.55 2dgb h GLU 36 CO 0.69 1.18 0.55 -2.00 -0.73 0.00 0.00 179.01 178.69 2dgb s GLU 37 N -2.62 0.52 -0.08 1.92 2.12 -1.26 -5.15 118.70 114.15 2dgb s GLU 37 Ca -0.09 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.53 2dgb s GLU 37 Cb 0.06 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.72 2dgb s GLU 37 CO 0.86 -0.13 -0.09 0.08 -0.54 0.00 0.00 175.26 175.45 2dgb s VAL 38 N -0.61 0.95 -0.15 3.70 1.01 -1.26 -5.06 120.40 118.97 2dgb s VAL 38 Ca 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2dgb s VAL 38 Cb -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2dgb s VAL 38 CO -0.02 0.33 -0.21 -0.13 0.00 0.00 0.00 175.10 175.07 2dgb s ARG 39 N 1.13 3.01 -0.23 2.72 1.81 -1.26 -4.36 118.95 121.78 2dgb s ARG 39 Ca -0.06 -0.85 -0.09 0.00 -1.72 0.00 0.00 55.73 53.01 2dgb s ARG 39 Cb -0.14 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 2dgb s ARG 39 CO -0.01 -0.07 0.11 0.08 -0.68 0.00 0.00 175.30 174.73 2dgb s VAL 40 N 0.95 4.92 0.00 3.52 1.01 -1.26 -5.00 120.40 124.54 2dgb s VAL 40 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2dgb s VAL 40 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2dgb s VAL 40 CO -0.05 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2dgb n GLY 41 N 4.28 4.78 3.32 4.51 0.00 -1.26 -4.72 105.19 116.10 2dgb n GLY 41 Ca -0.16 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.73 2dgb n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dgb s LYS 42 N -1.14 1.49 -0.08 1.61 -2.85 -0.85 -5.00 119.74 112.92 2dgb s LYS 42 Ca 0.00 -1.12 0.04 0.00 -1.00 0.00 0.00 55.97 53.90 2dgb s LYS 42 Cb 0.00 -1.73 -0.01 0.00 -2.06 0.00 0.00 37.83 34.03 2dgb s LYS 42 CO 0.00 0.43 -0.21 0.54 0.10 0.00 0.00 175.35 176.22 2dgb s VAL 43 N -0.91 2.43 -0.20 1.79 0.11 -1.26 -1.36 120.40 121.01 2dgb s VAL 43 Ca 0.10 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2dgb s VAL 43 Cb -0.10 -1.93 0.03 0.00 -1.53 0.00 0.00 36.38 32.85 2dgb s VAL 43 CO 0.03 0.56 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.42 2dgb s LEU 44 N -0.09 2.40 -0.44 2.54 1.02 0.15 -4.99 118.68 119.27 2dgb s LEU 44 Ca -0.04 -0.80 -0.17 0.00 0.02 0.00 0.00 54.13 53.13 2dgb s LEU 44 Cb -0.14 -1.49 0.03 0.00 0.02 0.00 0.00 46.19 44.62 2dgb s LEU 44 CO 0.04 -0.04 0.45 -1.61 0.02 0.00 0.00 176.35 175.21 2dgb s GLU 45 N 1.26 3.07 -0.22 1.70 0.41 -1.26 -0.99 118.70 122.67 2dgb s GLU 45 Ca 0.02 -0.88 -0.04 0.00 -0.41 0.00 0.00 54.97 53.66 2dgb s GLU 45 Cb -0.14 -4.01 -0.01 0.00 -1.78 0.00 0.00 34.13 28.18 2dgb s GLU 45 CO -0.11 -0.93 -0.04 0.42 -0.49 0.00 0.00 175.26 174.11 2dgb s ILE 46 N 2.12 3.39 -0.24 -1.63 1.01 0.23 -4.93 121.20 121.15 2dgb s ILE 46 Ca 0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 2dgb s ILE 46 Cb -0.18 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 2dgb s ILE 46 CO 0.12 0.42 0.24 -0.69 0.00 0.00 0.00 174.94 175.03 2dgb s VAL 47 N 1.48 5.30 0.17 2.92 1.01 -1.26 -0.30 120.40 129.72 2dgb s VAL 47 Ca 0.06 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 2dgb s VAL 47 Cb -0.14 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2dgb s VAL 47 CO -0.03 0.29 0.47 0.72 0.00 0.00 0.00 175.10 176.55 2dgb s PHE 48 N 1.36 -0.12 0.30 5.22 -0.12 -0.14 -4.98 117.98 119.50 2dgb s PHE 48 Ca 0.11 -0.21 -0.05 0.00 -0.05 0.00 0.00 56.93 56.72 2dgb s PHE 48 Cb -0.14 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 2dgb s PHE 48 CO 0.07 -0.84 0.57 -1.25 -0.05 0.00 0.00 175.22 173.73 2dgb s PRO 49 N -3.85 3.63 -0.05 1.99 0.04 -1.26 -0.74 135.00 134.75 2dgb s PRO 49 Ca 0.08 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.85 2dgb s PRO 49 Cb 0.00 -2.63 0.10 0.00 0.04 0.00 0.00 34.50 32.01 2dgb s PRO 49 CO -0.06 0.19 0.82 0.00 0.04 0.00 0.00 177.00 177.99 2dgb s ALA 50 N -2.12 -1.82 0.24 8.56 0.00 -0.66 -4.94 121.76 121.01 2dgb s ALA 50 Ca 0.44 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 2dgb s ALA 50 Cb -0.11 -0.05 0.25 0.00 0.00 0.00 0.00 23.12 23.21 2dgb s ALA 50 CO 0.30 -0.46 1.79 0.93 0.00 0.00 0.00 175.76 178.32 2dgb h GLU 51 N 2.52 1.06 -3.13 0.00 4.39 -1.91 0.19 114.58 117.70 2dgb h GLU 51 Ca -0.24 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.22 2dgb h GLU 51 Cb 1.19 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2dgb h GLU 51 CO 0.34 0.89 0.22 0.54 -1.16 0.00 0.00 179.01 179.84 2dgb s ASN 52 N -6.45 0.08 0.25 1.42 2.20 -1.26 -4.31 114.94 106.87 2dgb s ASN 52 Ca -0.11 -1.14 -0.06 0.00 -0.94 0.00 0.00 52.86 50.61 2dgb s ASN 52 Cb 0.16 0.82 0.26 0.00 -2.00 0.00 0.00 41.25 40.49 2dgb s ASN 52 CO 0.83 -1.61 1.93 0.25 -2.94 0.00 0.00 177.10 175.55 2dgb h LEU 53 N 2.01 1.16 -0.12 3.54 5.85 -1.98 0.13 115.31 125.91 2dgb h LEU 53 Ca -0.31 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2dgb h LEU 53 Cb 1.25 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2dgb h LEU 53 CO 0.39 0.84 0.05 -0.07 -0.34 0.00 0.00 178.44 179.31 2dgb h LEU 54 N 1.36 0.16 -1.36 2.25 4.07 -1.99 0.91 115.31 120.71 2dgb h LEU 54 Ca 0.37 -0.14 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 2dgb h LEU 54 Cb -0.15 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 2dgb h LEU 54 CO -0.08 0.26 -0.32 -0.08 -1.08 0.00 0.00 178.44 177.14 2dgb h GLU 55 N 0.05 0.00 -0.37 1.13 4.81 -1.89 -1.43 114.58 116.88 2dgb h GLU 55 Ca 0.04 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 2dgb h GLU 55 Cb 0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2dgb h GLU 55 CO -0.00 0.32 -0.41 0.00 -0.73 0.00 0.00 179.01 178.19 2dgb h ALA 56 N 1.68 0.57 -0.59 2.92 0.00 -0.19 0.28 119.26 123.93 2dgb h ALA 56 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2dgb h ALA 56 Cb 0.58 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2dgb h ALA 56 CO 0.04 0.68 0.23 1.49 0.00 0.00 0.00 179.25 181.69 2dgb h GLU 57 N 0.75 0.88 -0.51 0.00 4.57 -0.41 0.10 114.58 119.96 2dgb h GLU 57 Ca 0.05 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2dgb h GLU 57 Cb 1.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 2dgb h GLU 57 CO 0.10 0.75 0.19 1.49 -1.18 0.00 0.00 179.01 180.36 2dgb h GLU 58 N 0.81 0.77 -0.61 1.92 4.81 -1.09 -1.82 114.58 119.37 2dgb h GLU 58 Ca 0.20 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2dgb h GLU 58 Cb 0.20 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2dgb h GLU 58 CO -0.02 0.69 0.00 0.87 -0.73 0.00 0.00 179.01 179.83 2dgb h LYS 59 N 0.68 1.06 -0.19 1.92 1.57 -0.64 -1.63 116.57 119.35 2dgb h LYS 59 Ca 0.17 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2dgb h LYS 59 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2dgb h LYS 59 CO -0.01 1.04 0.09 0.00 -0.57 0.00 0.00 179.45 180.00 2dgb h ALA 60 N 1.01 0.22 0.00 3.86 0.00 -0.50 -2.30 119.26 121.56 2dgb h ALA 60 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2dgb h ALA 60 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dgb h ALA 60 CO 0.03 -0.33 -0.29 0.87 0.00 0.00 0.00 179.25 179.54 2dgb h LYS 61 N 0.20 0.00 -1.13 0.00 1.57 -1.25 -2.18 116.57 113.79 2dgb h LYS 61 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dgb h LYS 61 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2dgb h LYS 61 CO -0.05 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 2dgb n ALA 62 N -2.36 1.99 0.00 3.86 0.00 -0.62 -1.57 120.51 121.81 2dgb n ALA 62 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2dgb n ALA 62 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.54 0.00 0.29 0.00 0.00 -0.82 -0.98 105.19 104.22 2dgb n GLY 64 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 1.28 -0.06 4.61 0.00 -1.57 -0.78 119.26 122.74 2dgb h ALA 65 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2dgb h ALA 65 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2dgb h ALA 65 CO 0.00 0.50 -0.72 -0.07 0.00 0.00 0.00 179.25 178.96 2dgb h LEU 66 N 0.69 0.40 0.00 0.00 3.38 -1.32 -3.34 115.31 115.12 2dgb h LEU 66 Ca 0.15 -0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 2dgb h LEU 66 Cb 0.30 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2dgb h LEU 66 CO 0.00 0.99 -1.41 0.18 0.09 0.00 0.00 178.44 178.29 2dgb n LEU 67 N -3.82 0.87 -4.82 1.67 4.77 -1.09 -4.92 117.00 109.66 2dgb n LEU 67 Ca -0.04 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 2dgb n LEU 67 Cb 0.70 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 2dgb n LEU 67 CO 0.47 0.15 0.45 0.00 -1.33 0.00 0.00 177.39 177.12 2dgb s ALA 68 N -2.92 3.36 -0.22 -1.18 0.00 -0.32 -5.01 121.76 115.49 2dgb s ALA 68 Ca -0.03 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 2dgb s ALA 68 Cb 0.09 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2dgb s ALA 68 CO 0.81 0.31 1.51 1.21 0.00 0.00 0.00 175.76 179.60 2dgb s ASN 69 N -1.80 6.54 0.34 0.00 3.84 -1.26 -4.90 114.94 117.70 2dgb s ASN 69 Ca 0.47 1.60 0.08 0.00 0.21 0.00 0.00 52.86 55.22 2dgb s ASN 69 Cb -0.15 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.81 2dgb s ASN 69 CO 0.20 -1.13 1.85 1.55 -2.79 0.00 0.00 177.10 176.78 2dgb h PRO 70 N 9.99 0.70 -0.47 0.43 0.13 -1.95 0.89 132.00 141.72 2dgb h PRO 70 Ca -0.32 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2dgb h PRO 70 Cb 1.14 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dgb h PRO 70 CO 1.00 0.46 0.00 0.28 -0.23 0.00 0.00 178.00 179.51 2dgb n VAL 71 N -4.60 0.62 -0.05 1.56 0.31 -1.26 -4.94 118.33 109.98 2dgb n VAL 71 Ca 0.19 -0.45 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 2dgb n VAL 71 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.33 0.00 -4.03 5.55 1.02 0.31 -4.94 120.64 118.87 2dgb n GLU 73 Ca 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2dgb n GLU 73 Cb 0.37 -0.05 -0.12 0.00 -0.02 0.00 0.00 31.44 31.62 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 -0.09 0.33 0.26 2.62 -7.23 0.07 -4.65 120.40 111.71 2dgb s VAL 74 Ca 0.02 -0.75 0.10 0.00 -1.81 0.00 0.00 61.98 59.54 2dgb s VAL 74 Cb 0.00 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2dgb s VAL 74 CO 0.03 -0.28 -0.07 -0.72 -0.31 0.00 0.00 175.10 173.75 2dgb s TYR 75 N -1.00 2.57 -0.12 2.82 -0.85 -1.26 -1.54 117.35 117.96 2dgb s TYR 75 Ca -0.08 -0.25 -0.06 0.00 -0.52 0.00 0.00 57.07 56.16 2dgb s TYR 75 Cb -0.07 -1.15 0.05 0.00 0.38 0.00 0.00 41.96 41.17 2dgb s TYR 75 CO -0.00 0.63 0.28 0.00 -1.52 0.00 0.00 175.55 174.94 2dgb s ALA 76 N -2.29 -0.65 -0.80 9.51 0.00 -0.20 -4.98 121.76 122.36 2dgb s ALA 76 Ca 0.30 1.08 -0.24 0.00 0.00 0.00 0.00 51.96 53.10 2dgb s ALA 76 Cb -0.06 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.35 2dgb s ALA 76 CO 0.18 -0.30 1.24 -1.17 0.00 0.00 0.00 175.76 175.71 2dgb s LEU 77 N 1.52 3.66 0.25 0.00 2.96 -1.26 -1.10 118.68 124.71 2dgb s LEU 77 Ca -0.07 -0.93 0.02 0.00 -0.22 0.00 0.00 54.13 52.93 2dgb s LEU 77 Cb -0.10 -2.52 0.31 0.00 0.50 0.00 0.00 46.19 44.38 2dgb s LEU 77 CO -0.09 -1.61 1.63 -0.08 -1.32 0.00 0.00 176.35 174.87 2dgb h GLU 78 N 9.78 0.41 -2.91 1.98 4.57 -1.02 -3.47 114.58 123.91 2dgb h GLU 78 Ca -0.13 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 2dgb h GLU 78 Cb 1.04 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.53 2dgb h GLU 78 CO 1.28 0.76 0.25 0.00 -1.18 0.00 0.00 179.01 180.12 2dgb s ALA 79 N -4.16 -1.56 -0.26 2.92 0.00 -1.16 -4.98 121.76 112.56 2dgb s ALA 79 Ca -0.06 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2dgb s ALA 79 Cb 0.13 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.18 2dgb s ALA 79 CO 0.80 -0.82 0.59 -1.17 0.00 0.00 0.00 175.76 175.16 2dgb s LEU 80 N -2.76 -0.88 0.02 0.00 2.96 -1.26 -1.14 118.68 115.63 2dgb s LEU 80 Ca 0.03 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 2dgb s LEU 80 Cb -0.02 2.03 -0.02 0.00 0.50 0.00 0.00 46.19 48.68 2dgb s LEU 80 CO -0.09 -0.22 -0.04 -1.59 -1.32 0.00 0.00 176.35 173.09 2dgb s LYS 81 N 2.34 0.35 0.29 1.98 -2.85 -0.72 -4.98 119.74 116.15 2dgb s LYS 81 Ca -0.07 -0.60 -0.24 0.00 -1.00 0.00 0.00 55.97 54.06 2dgb s LYS 81 Cb -0.10 -0.02 -0.09 0.00 -2.06 0.00 0.00 37.83 35.56 2dgb s LYS 81 CO -0.17 -0.02 0.87 -2.00 0.10 0.00 0.00 175.35 174.13 2dgb s GLU 82 N -1.37 4.47 0.31 1.78 2.12 -1.26 -0.68 118.70 124.06 2dgb s GLU 82 Ca -0.13 1.18 0.09 0.00 0.36 0.00 0.00 54.97 56.46 2dgb s GLU 82 Cb -0.09 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2dgb s GLU 82 CO -0.01 0.31 0.07 -0.51 -0.54 0.00 0.00 175.26 174.58 2dgb s LEU 83 N -2.05 3.22 0.00 2.70 1.43 0.63 -4.89 118.68 119.72 2dgb s LEU 83 Ca 0.48 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2dgb s LEU 83 Cb -0.18 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2dgb s LEU 83 CO 0.23 -0.16 0.32 -2.65 0.23 0.00 0.00 176.35 174.32