#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhk s SER 2 N 0.00 6.33 -0.01 1.61 0.15 -1.26 -5.03 113.70 115.49 2dhk s SER 2 Ca 0.00 2.73 -0.03 0.00 0.70 0.00 0.00 55.95 59.35 2dhk s SER 2 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2dhk s SER 2 CO 0.00 -0.84 0.07 -0.55 1.20 0.00 0.00 173.24 173.12 2dhk s SER 3 N -0.62 0.01 0.00 5.45 0.15 -1.26 -5.11 113.70 112.32 2dhk s SER 3 Ca 0.56 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2dhk s SER 3 Cb -0.40 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2dhk s SER 3 CO 0.52 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2dhk n GLY 4 N 2.37 0.08 3.49 9.45 0.00 -1.26 -5.12 105.19 114.20 2dhk n GLY 4 Ca -0.17 -1.42 0.01 0.00 0.00 0.00 0.00 46.02 44.44 2dhk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhk s SER 5 N -0.84 -0.35 0.54 1.61 0.15 -1.26 -5.18 113.70 108.37 2dhk s SER 5 Ca 0.00 0.52 0.03 0.00 0.70 0.00 0.00 55.95 57.19 2dhk s SER 5 Cb 0.00 1.27 0.02 0.00 -1.71 0.00 0.00 66.02 65.60 2dhk s SER 5 CO 0.00 -0.08 0.21 -0.94 1.20 0.00 0.00 173.24 173.64 2dhk s SER 6 N 1.72 4.39 0.00 5.45 1.04 -1.26 -5.13 113.70 119.92 2dhk s SER 6 Ca -0.05 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.90 2dhk s SER 6 Cb -0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2dhk s SER 6 CO -0.15 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2dhk n GLY 7 N -1.55 2.51 2.01 7.32 0.00 -1.26 -5.19 105.19 109.03 2dhk n GLY 7 Ca -0.11 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2dhk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dhk n LYS 8 N 0.00 0.41 -2.97 1.61 2.85 -1.26 -5.13 118.16 113.67 2dhk n LYS 8 Ca 0.00 -2.08 -0.40 0.00 -1.05 0.00 0.00 58.31 54.78 2dhk n LYS 8 Cb 0.00 1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 35.83 2dhk n LYS 8 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2dhk s LYS 9 N -2.88 4.43 -0.59 -1.58 2.20 -1.26 -5.02 119.74 115.05 2dhk s LYS 9 Ca 0.20 0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 56.56 2dhk s LYS 9 Cb 0.01 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2dhk s LYS 9 CO 0.14 -0.02 0.93 -1.17 -0.36 0.00 0.00 175.35 174.87 2dhk s LEU 10 N 1.07 4.25 0.10 5.43 2.96 -1.26 -5.00 118.68 126.23 2dhk s LEU 10 Ca 0.40 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2dhk s LEU 10 Cb -0.18 -2.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2dhk s LEU 10 CO 0.19 -1.29 0.10 0.00 -1.32 0.00 0.00 176.35 174.02 2dhk n GLY 12 N -0.03 2.59 3.81 0.00 0.00 -0.40 -5.02 105.19 106.15 2dhk n GLY 12 Ca -0.11 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2dhk n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dhk s TYR 13 N -2.00 3.21 0.26 1.61 1.51 -1.26 -2.39 117.35 118.28 2dhk s TYR 13 Ca 0.00 1.58 -0.07 0.00 -1.01 0.00 0.00 57.07 57.57 2dhk s TYR 13 Cb 0.00 -2.92 -0.01 0.00 -0.11 0.00 0.00 41.96 38.92 2dhk s TYR 13 CO 0.00 -0.42 0.38 -0.51 -1.11 0.00 0.00 175.55 173.89 2dhk s LEU 14 N -3.44 0.71 -0.30 -1.29 1.43 -0.60 -4.88 118.68 110.31 2dhk s LEU 14 Ca 0.63 -1.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 2dhk s LEU 14 Cb -0.12 1.32 0.03 0.00 0.03 0.00 0.00 46.19 47.45 2dhk s LEU 14 CO 0.18 -1.09 0.03 -0.44 0.23 0.00 0.00 176.35 175.26 2dhk s SER 15 N -3.11 4.90 -0.20 2.29 0.01 -1.24 -1.99 113.70 114.36 2dhk s SER 15 Ca 0.29 -1.03 -0.25 0.00 1.31 0.00 0.00 55.95 56.26 2dhk s SER 15 Cb 0.01 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 2dhk s SER 15 CO 0.12 -0.23 0.86 -0.75 0.41 0.00 0.00 173.24 173.65 2dhk s LYS 16 N 1.35 4.26 -0.35 12.44 2.20 -0.08 -3.23 119.74 136.34 2dhk s LYS 16 Ca -0.02 1.04 -0.13 0.00 -0.36 0.00 0.00 55.97 56.50 2dhk s LYS 16 Cb -0.18 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 2dhk s LYS 16 CO -0.00 -0.42 0.25 0.12 -0.36 0.00 0.00 175.35 174.94 2dhk s PHE 17 N 2.47 3.23 0.00 4.03 5.36 -0.82 0.03 117.98 132.28 2dhk s PHE 17 Ca 0.38 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 2dhk s PHE 17 Cb -0.16 -2.49 0.00 0.00 -0.34 0.00 0.00 43.02 40.03 2dhk s PHE 17 CO 0.10 -0.38 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 2dhk n GLY 18 N 5.11 4.23 1.22 13.12 0.00 0.11 -4.57 105.19 124.41 2dhk n GLY 18 Ca -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2dhk n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhk n GLY 19 N -1.65 0.92 1.76 -0.02 0.00 -1.26 -4.75 105.19 100.19 2dhk n GLY 19 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 2dhk n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dhk n LYS 20 N -0.58 2.94 0.00 1.61 4.76 -1.13 -4.98 118.16 120.78 2dhk n LYS 20 Ca 0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 2dhk n LYS 20 Cb 0.37 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 2dhk n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dhk n GLY 21 N -0.61 1.58 0.20 0.72 0.00 -1.26 -3.89 105.19 101.92 2dhk n GLY 21 Ca 0.42 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.73 2dhk n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhk h PRO 22 N 0.00 0.00 -5.34 1.61 0.13 -2.06 -3.45 132.00 122.90 2dhk h PRO 22 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dhk h PRO 22 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2dhk h PRO 22 CO 0.00 0.33 -0.58 0.96 -0.23 0.00 0.00 178.00 178.48 2dhk s ILE 23 N -3.85 1.37 -0.09 -3.56 -0.00 -1.25 -5.15 121.20 108.67 2dhk s ILE 23 Ca -0.01 -2.00 -0.03 0.00 -0.00 0.00 0.00 60.65 58.61 2dhk s ILE 23 Cb 0.12 -2.73 -0.03 0.00 -0.00 0.00 0.00 42.46 39.82 2dhk s ILE 23 CO 0.68 0.00 0.03 -0.13 -0.00 0.00 0.00 174.94 175.52 2dhk s ARG 24 N -3.81 3.10 0.26 0.37 0.52 -1.26 -2.84 118.95 115.29 2dhk s ARG 24 Ca 0.31 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 2dhk s ARG 24 Cb 0.07 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.67 2dhk s ARG 24 CO 0.15 0.71 0.56 0.20 0.02 0.00 0.00 175.30 176.94 2dhk s GLY 25 N -0.89 0.34 0.45 -3.53 0.00 -1.26 -4.87 107.32 97.56 2dhk s GLY 25 Ca 0.13 -0.70 -0.18 0.00 0.00 0.00 0.00 44.72 43.97 2dhk s GLY 25 CO 0.03 -0.45 0.92 -0.98 0.00 0.00 0.00 173.10 172.62 2dhk s TRP 26 N -3.94 3.38 -0.08 1.90 0.52 -1.26 -0.71 118.94 118.74 2dhk s TRP 26 Ca 0.19 1.47 -0.05 0.00 0.02 0.00 0.00 56.10 57.73 2dhk s TRP 26 Cb -0.02 -2.76 0.04 0.00 -1.15 0.00 0.00 33.47 29.57 2dhk s TRP 26 CO 0.09 -0.18 0.20 0.15 0.02 0.00 0.00 176.95 177.23 2dhk s LYS 27 N -3.53 0.17 -0.04 4.98 -0.14 0.10 -4.92 119.74 116.37 2dhk s LYS 27 Ca 0.59 0.42 -0.30 0.00 -1.36 0.00 0.00 55.97 55.32 2dhk s LYS 27 Cb -0.10 -0.08 -0.06 0.00 -1.68 0.00 0.00 37.83 35.91 2dhk s LYS 27 CO 0.21 -0.13 1.70 -1.12 -0.76 0.00 0.00 175.35 175.25 2dhk s SER 28 N 0.95 6.64 0.03 2.83 0.01 -1.26 -0.90 113.70 121.99 2dhk s SER 28 Ca -0.07 2.30 -0.06 0.00 1.31 0.00 0.00 55.95 59.43 2dhk s SER 28 Cb -0.09 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 2dhk s SER 28 CO -0.06 -0.94 0.11 -0.13 0.41 0.00 0.00 173.24 172.63 2dhk s ARG 29 N 4.07 0.56 -0.20 12.44 1.81 -0.84 -4.94 118.95 131.85 2dhk s ARG 29 Ca 0.75 -0.66 -0.09 0.00 -1.72 0.00 0.00 55.73 54.02 2dhk s ARG 29 Cb -0.35 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 2dhk s ARG 29 CO 0.31 -0.14 0.09 -0.46 -0.68 0.00 0.00 175.30 174.43 2dhk s TRP 30 N -2.30 3.29 -0.09 -0.53 -0.11 0.12 -1.55 118.94 117.76 2dhk s TRP 30 Ca -0.08 0.12 0.03 0.00 1.22 0.00 0.00 56.10 57.40 2dhk s TRP 30 Cb -0.03 -2.14 -0.01 0.00 -1.50 0.00 0.00 33.47 29.79 2dhk s TRP 30 CO -0.03 0.13 -0.19 -0.06 -4.62 0.00 0.00 176.95 172.18 2dhk s PHE 31 N 0.57 2.63 -0.08 5.86 0.40 -1.01 0.30 117.98 126.66 2dhk s PHE 31 Ca 0.05 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.64 2dhk s PHE 31 Cb -0.12 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.74 2dhk s PHE 31 CO 0.01 -0.21 0.17 -0.59 0.70 0.00 0.00 175.22 175.30 2dhk s PHE 32 N 0.06 -0.21 0.43 0.36 -0.12 0.11 -1.27 117.98 117.33 2dhk s PHE 32 Ca -0.08 0.58 -0.22 0.00 -0.05 0.00 0.00 56.93 57.16 2dhk s PHE 32 Cb -0.15 -0.07 -0.09 0.00 -0.63 0.00 0.00 43.02 42.07 2dhk s PHE 32 CO 0.05 -0.20 1.03 -0.47 -0.05 0.00 0.00 175.22 175.58 2dhk s TYR 33 N 1.37 3.20 -0.28 3.49 5.04 -0.60 -0.93 117.35 128.64 2dhk s TYR 33 Ca -0.07 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.20 2dhk s TYR 33 Cb -0.11 -3.06 0.06 0.00 0.35 0.00 0.00 41.96 39.20 2dhk s TYR 33 CO -0.07 -0.58 -0.07 0.34 -1.34 0.00 0.00 175.55 173.84 2dhk s ASP 34 N -1.79 4.58 0.00 4.32 2.15 0.20 -4.79 116.67 121.34 2dhk s ASP 34 Ca 0.61 -1.49 0.20 0.00 0.43 0.00 0.00 52.55 52.31 2dhk s ASP 34 Cb -0.18 -1.59 0.97 0.00 -0.30 0.00 0.00 42.92 41.81 2dhk s ASP 34 CO 0.23 -0.23 1.65 -1.84 -0.17 0.00 0.00 175.17 174.81 2dhk n GLU 35 N 4.44 0.17 -0.02 4.34 0.28 -1.26 -0.77 120.64 127.81 2dhk n GLU 35 Ca -0.11 0.12 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 2dhk n GLU 35 Cb 0.42 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.69 2dhk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dhk h ARG 36 N 0.00 0.29 -0.04 3.44 2.47 -1.92 -3.34 114.38 115.27 2dhk h ARG 36 Ca 0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 2dhk h ARG 36 Cb 0.26 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2dhk h ARG 36 CO 0.00 0.93 0.00 1.63 0.56 0.00 0.00 179.97 183.09 2dhk n LYS 37 N -4.43 1.63 -3.53 0.04 5.02 -1.19 -4.97 118.16 110.73 2dhk n LYS 37 Ca -0.09 -2.54 -0.25 0.00 -2.02 0.00 0.00 58.31 53.41 2dhk n LYS 37 Cb 0.52 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 2dhk n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dhk s GLN 39 N -6.18 1.36 -0.44 0.00 -0.21 -0.84 -4.26 119.66 109.09 2dhk s GLN 39 Ca 0.46 -1.46 -0.14 0.00 0.02 0.00 0.00 55.36 54.23 2dhk s GLN 39 Cb -0.25 -1.49 0.06 0.00 1.00 0.00 0.00 33.01 32.32 2dhk s GLN 39 CO 0.56 0.31 0.33 -1.17 -2.12 0.00 0.00 175.29 173.20 2dhk s LEU 40 N -2.72 5.33 -0.11 2.90 2.96 -1.01 0.62 118.68 126.65 2dhk s LEU 40 Ca 0.18 -1.21 -0.09 0.00 -0.22 0.00 0.00 54.13 52.79 2dhk s LEU 40 Cb -0.06 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2dhk s LEU 40 CO 0.08 -0.55 0.19 -0.31 -1.32 0.00 0.00 176.35 174.43 2dhk s TYR 41 N 1.61 3.61 -0.02 5.38 1.51 -0.11 -0.63 117.35 128.70 2dhk s TYR 41 Ca 0.04 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.72 2dhk s TYR 41 Cb -0.22 -2.02 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2dhk s TYR 41 CO 0.07 0.68 -0.10 1.52 -1.11 0.00 0.00 175.55 176.62 2dhk s TYR 42 N -0.92 0.98 0.42 2.71 1.13 -0.59 0.06 117.35 121.14 2dhk s TYR 42 Ca 0.16 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.63 2dhk s TYR 42 Cb -0.13 -0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 40.04 2dhk s TYR 42 CO 0.05 -0.08 0.15 -1.54 -2.51 0.00 0.00 175.55 171.63 2dhk s SER 43 N 0.06 2.88 0.41 -0.18 1.04 0.15 -2.17 113.70 115.89 2dhk s SER 43 Ca -0.01 -1.74 0.16 0.00 0.48 0.00 0.00 55.95 54.83 2dhk s SER 43 Cb -0.07 0.61 0.89 0.00 0.10 0.00 0.00 66.02 67.55 2dhk s SER 43 CO 0.00 -1.00 1.89 0.03 0.98 0.00 0.00 173.24 175.14 2dhk h ARG 44 N 1.73 0.00 0.00 4.02 3.08 -1.92 0.34 114.38 121.63 2dhk h ARG 44 Ca -0.33 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.45 2dhk h ARG 44 Cb 1.28 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 2dhk h ARG 44 CO 0.53 0.29 -0.26 0.25 -1.07 0.00 0.00 179.97 179.71 2dhk n THR 45 N -4.03 0.00 1.25 2.04 -2.24 -1.26 -4.26 114.28 105.77 2dhk n THR 45 Ca -0.02 -1.38 0.13 0.00 -2.27 0.00 0.00 64.05 60.51 2dhk n THR 45 Cb 0.35 0.70 0.33 0.00 -2.10 0.00 0.00 70.33 69.61 2dhk n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dhk n ALA 46 N -1.68 3.00 -1.59 6.98 0.00 -1.26 -3.95 120.51 122.02 2dhk n ALA 46 Ca -0.07 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 52.97 2dhk n ALA 46 Cb 0.35 -1.07 0.19 0.00 0.00 0.00 0.00 19.45 18.92 2dhk n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dhk n GLN 47 N -0.24 1.46 -2.44 0.00 1.13 -1.26 -4.98 117.38 111.05 2dhk n GLN 47 Ca 0.13 -3.14 -0.39 0.00 -1.94 0.00 0.00 57.00 51.66 2dhk n GLN 47 Cb 0.38 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.19 2dhk n GLN 47 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2dhk s ASP 48 N -3.12 6.10 0.26 1.08 -1.08 -1.25 -4.85 116.67 113.80 2dhk s ASP 48 Ca 0.37 -0.87 0.13 0.00 -0.52 0.00 0.00 52.55 51.65 2dhk s ASP 48 Cb 0.36 -2.56 0.90 0.00 -1.46 0.00 0.00 42.92 40.16 2dhk s ASP 48 CO -0.06 -1.86 1.13 0.00 0.52 0.00 0.00 175.17 174.90 2dhk n ALA 49 N 10.08 0.68 -3.70 3.66 0.00 -1.26 -3.80 120.51 126.17 2dhk n ALA 49 Ca 0.24 0.73 -0.31 0.00 0.00 0.00 0.00 53.44 54.10 2dhk n ALA 49 Cb 0.50 -0.70 -0.17 0.00 0.00 0.00 0.00 19.45 19.08 2dhk n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dhk s ASN 50 N -4.71 2.81 0.31 0.00 2.20 -1.26 -5.12 114.94 109.17 2dhk s ASN 50 Ca -0.07 -0.53 -0.29 0.00 -0.94 0.00 0.00 52.86 51.03 2dhk s ASN 50 Cb 0.24 -1.29 -0.10 0.00 -2.00 0.00 0.00 41.25 38.10 2dhk s ASN 50 CO 0.56 0.04 1.23 -2.16 -2.94 0.00 0.00 177.10 173.83 2dhk s PRO 51 N 0.94 4.46 0.05 3.55 0.04 -1.25 -4.94 135.00 137.85 2dhk s PRO 51 Ca -0.06 2.06 -0.34 0.00 0.04 0.00 0.00 61.00 62.70 2dhk s PRO 51 Cb -0.15 -3.12 -0.19 0.00 0.04 0.00 0.00 34.50 31.08 2dhk s PRO 51 CO -0.03 -0.04 1.49 -0.07 0.04 0.00 0.00 177.00 178.40 2dhk h LEU 52 N 3.58 -0.97 -8.24 -3.56 3.38 -1.81 -3.48 115.31 104.21 2dhk h LEU 52 Ca -0.48 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2dhk h LEU 52 Cb 1.22 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 42.12 2dhk h LEU 52 CO 0.66 -0.66 -0.15 -1.81 0.09 0.00 0.00 178.44 176.58 2dhk s ASP 53 N -4.22 -0.08 0.21 -0.43 1.01 -1.17 -5.03 116.67 106.96 2dhk s ASP 53 Ca -0.18 -0.94 0.05 0.00 0.71 0.00 0.00 52.55 52.19 2dhk s ASP 53 Cb 0.02 0.57 -0.05 0.00 1.01 0.00 0.00 42.92 44.47 2dhk s ASP 53 CO 0.57 -1.11 -0.06 -0.94 0.21 0.00 0.00 175.17 173.84 2dhk s SER 54 N -3.02 2.11 -0.16 0.27 1.04 -1.26 -1.54 113.70 111.14 2dhk s SER 54 Ca 0.23 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.51 2dhk s SER 54 Cb -0.00 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.11 2dhk s SER 54 CO 0.09 -0.38 -0.01 -0.63 0.98 0.00 0.00 173.24 173.29 2dhk s ILE 55 N -3.25 0.74 -0.54 -1.02 1.09 0.20 -4.93 121.20 113.48 2dhk s ILE 55 Ca 0.25 -0.47 -0.26 0.00 -1.10 0.00 0.00 60.65 59.06 2dhk s ILE 55 Cb 0.03 -1.05 -0.05 0.00 -1.06 0.00 0.00 42.46 40.34 2dhk s ILE 55 CO 0.07 0.01 2.16 -0.62 -0.10 0.00 0.00 174.94 176.45 2dhk s ASP 56 N 1.78 4.82 0.46 3.58 2.15 -1.26 -2.42 116.67 125.79 2dhk s ASP 56 Ca 0.01 0.75 0.26 0.00 0.43 0.00 0.00 52.55 53.99 2dhk s ASP 56 Cb -0.16 -2.51 1.02 0.00 -0.30 0.00 0.00 42.92 40.97 2dhk s ASP 56 CO -0.07 -2.65 1.86 -0.07 -0.17 0.00 0.00 175.17 174.07 2dhk h LEU 57 N 18.14 0.00 -1.68 -1.34 3.38 -1.91 -3.01 115.31 128.90 2dhk h LEU 57 Ca -0.25 0.00 0.26 0.00 0.09 0.00 0.00 57.88 57.98 2dhk h LEU 57 Cb 1.22 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 2dhk h LEU 57 CO 1.19 0.18 0.67 -1.28 0.09 0.00 0.00 178.44 179.28 2dhk h SER 58 N 0.00 0.24 -0.06 -0.43 0.87 -1.87 -1.04 113.55 111.27 2dhk h SER 58 Ca -0.00 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2dhk h SER 58 Cb 0.69 -0.01 -0.19 0.00 -0.44 0.00 0.00 62.40 62.45 2dhk h SER 58 CO 0.02 0.07 -0.75 -1.20 -0.53 0.00 0.00 176.83 174.45 2dhk n SER 59 N -4.43 1.64 -4.27 6.23 7.64 -1.16 -5.03 113.62 114.25 2dhk n SER 59 Ca 0.22 -3.11 -0.34 0.00 1.01 0.00 0.00 58.87 56.64 2dhk n SER 59 Cb 0.90 -0.43 -0.14 0.00 -1.01 0.00 0.00 64.21 63.53 2dhk n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhk s ALA 60 N -2.09 2.68 -0.24 -0.43 0.00 -0.40 -4.05 121.76 117.24 2dhk s ALA 60 Ca 0.37 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2dhk s ALA 60 Cb 0.38 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2dhk s ALA 60 CO -0.10 -0.36 0.34 0.54 0.00 0.00 0.00 175.76 176.18 2dhk s VAL 61 N 1.35 5.22 -0.26 0.00 0.11 0.49 -4.88 120.40 122.43 2dhk s VAL 61 Ca 0.04 0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 59.41 2dhk s VAL 61 Cb -0.14 -3.67 -0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2dhk s VAL 61 CO -0.05 0.23 0.81 -0.36 -3.33 0.00 0.00 175.10 172.40 2dhk s PHE 62 N 1.60 3.27 0.26 1.54 0.08 -1.26 -0.61 117.98 122.86 2dhk s PHE 62 Ca 0.15 1.03 0.12 0.00 0.12 0.00 0.00 56.93 58.35 2dhk s PHE 62 Cb -0.15 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 2dhk s PHE 62 CO 0.08 -0.45 -0.19 0.34 -0.10 0.00 0.00 175.22 174.90 2dhk s ASP 63 N 1.44 3.65 -0.26 1.36 2.15 0.81 -4.97 116.67 120.85 2dhk s ASP 63 Ca 0.34 -0.95 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 2dhk s ASP 63 Cb -0.15 -0.34 0.02 0.00 -0.30 0.00 0.00 42.92 42.15 2dhk s ASP 63 CO 0.09 0.06 -0.02 0.00 -0.17 0.00 0.00 175.17 175.13 2dhk n LYS 65 N 4.72 -1.41 -0.03 0.00 4.76 -1.09 -4.85 118.16 120.26 2dhk n LYS 65 Ca -0.16 -0.41 -0.15 0.00 -2.87 0.00 0.00 58.31 54.72 2dhk n LYS 65 Cb 0.47 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 2dhk n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dhk h ALA 66 N -2.11 0.42 -0.26 7.82 0.00 -1.99 -3.14 119.26 120.00 2dhk h ALA 66 Ca -0.33 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 53.85 2dhk h ALA 66 Cb 0.99 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2dhk h ALA 66 CO 0.22 0.69 0.20 -0.25 0.00 0.00 0.00 179.25 180.11 2dhk n ASP 67 N -3.95 4.82 0.33 0.00 8.00 -1.26 -4.42 116.55 120.07 2dhk n ASP 67 Ca -0.06 -2.62 0.21 0.00 0.71 0.00 0.00 54.79 53.03 2dhk n ASP 67 Cb 0.69 -0.88 1.10 0.00 -0.02 0.00 0.00 41.12 42.01 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhk h ALA 68 N 1.46 1.13 -1.59 2.24 0.00 -1.79 -2.51 119.26 118.20 2dhk h ALA 68 Ca 0.16 -0.00 0.46 0.00 0.00 0.00 0.00 54.91 55.53 2dhk h ALA 68 Cb 1.17 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2dhk h ALA 68 CO 0.36 -0.10 1.16 1.05 0.00 0.00 0.00 179.25 181.72 2dhk h GLU 69 N 0.00 0.00 0.03 0.00 4.11 -1.90 1.01 114.58 117.83 2dhk h GLU 69 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 2dhk h GLU 69 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2dhk h GLU 69 CO -0.00 0.00 -1.78 -1.91 0.07 0.00 0.00 179.01 175.39 2dhk n GLU 70 N -4.04 0.67 0.00 1.06 2.13 -0.94 -4.45 120.64 115.06 2dhk n GLU 70 Ca 0.35 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2dhk n GLU 70 Cb 1.65 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 31.59 2dhk n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dhk n GLY 71 N 1.67 0.60 3.28 8.31 0.00 0.35 -2.64 105.19 116.76 2dhk n GLY 71 Ca -0.21 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2dhk n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dhk s ILE 72 N -0.30 1.91 0.37 -0.61 1.09 -1.26 -0.21 121.20 122.20 2dhk s ILE 72 Ca 0.00 -1.08 0.07 0.00 -1.10 0.00 0.00 60.65 58.54 2dhk s ILE 72 Cb 0.00 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.78 2dhk s ILE 72 CO 0.00 0.50 0.24 0.72 -0.10 0.00 0.00 174.94 176.29 2dhk s PHE 73 N -0.61 1.79 -0.20 3.97 -0.71 -0.85 -2.68 117.98 118.69 2dhk s PHE 73 Ca 0.09 -1.57 -0.11 0.00 -1.04 0.00 0.00 56.93 54.30 2dhk s PHE 73 Cb -0.09 -0.87 0.06 0.00 -1.21 0.00 0.00 43.02 40.91 2dhk s PHE 73 CO -0.00 -0.70 0.49 -1.21 -1.34 0.00 0.00 175.22 172.46 2dhk s GLU 74 N -3.49 0.49 -0.46 1.99 2.02 0.13 -2.92 118.70 116.46 2dhk s GLU 74 Ca 0.34 0.92 -0.16 0.00 0.02 0.00 0.00 54.97 56.09 2dhk s GLU 74 Cb 0.02 0.03 0.06 0.00 0.10 0.00 0.00 34.13 34.33 2dhk s GLU 74 CO 0.24 -0.15 0.41 0.42 0.02 0.00 0.00 175.26 176.19 2dhk s ILE 75 N 1.45 5.19 -0.19 -1.63 1.01 -0.51 -0.13 121.20 126.38 2dhk s ILE 75 Ca -0.09 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.45 2dhk s ILE 75 Cb -0.07 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2dhk s ILE 75 CO -0.15 -0.54 0.78 -0.54 0.00 0.00 0.00 174.94 174.49 2dhk s LYS 76 N 1.81 4.26 0.11 2.79 1.02 0.22 -1.53 119.74 128.42 2dhk s LYS 76 Ca 0.06 0.91 0.05 0.00 0.02 0.00 0.00 55.97 57.01 2dhk s LYS 76 Cb -0.22 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2dhk s LYS 76 CO 0.08 -0.34 -0.13 0.95 -0.92 0.00 0.00 175.35 174.99 2dhk s THR 77 N 2.20 1.25 -2.00 2.17 -4.23 -1.26 -0.38 115.64 113.39 2dhk s THR 77 Ca 0.35 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 2dhk s THR 77 Cb -0.16 -1.47 0.12 0.00 1.34 0.00 0.00 72.50 72.33 2dhk s THR 77 CO 0.11 -0.42 0.72 -0.81 -0.54 0.00 0.00 174.62 173.68 2dhk n PRO 78 N 0.59 0.49 -0.01 3.99 -0.04 -1.26 -3.14 135.00 135.63 2dhk n PRO 78 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 2dhk n PRO 78 Cb 0.57 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 2dhk n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dhk n SER 79 N -0.64 0.64 -3.61 3.54 2.88 -1.26 -5.09 113.62 110.09 2dhk n SER 79 Ca 0.03 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2dhk n SER 79 Cb 0.01 -0.06 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 2dhk n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dhk s ARG 80 N -2.04 0.44 -0.12 -1.46 1.70 -1.19 -5.14 118.95 111.14 2dhk s ARG 80 Ca -0.03 0.83 -0.29 0.00 -0.47 0.00 0.00 55.73 55.76 2dhk s ARG 80 Cb 0.01 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2dhk s ARG 80 CO 0.04 -0.10 1.16 0.08 -1.08 0.00 0.00 175.30 175.40 2dhk s VAL 81 N 1.68 4.41 0.14 4.99 1.01 -1.26 -4.05 120.40 127.33 2dhk s VAL 81 Ca -0.08 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.65 2dhk s VAL 81 Cb -0.05 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2dhk s VAL 81 CO -0.17 -0.07 0.17 -0.63 0.00 0.00 0.00 175.10 174.41 2dhk s ILE 82 N 2.72 4.77 -0.27 2.22 -1.09 -0.58 -4.99 121.20 123.98 2dhk s ILE 82 Ca 0.52 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2dhk s ILE 82 Cb -0.21 -3.42 0.08 0.00 -1.58 0.00 0.00 42.46 37.33 2dhk s ILE 82 CO 0.17 -0.05 0.01 -0.89 -1.23 0.00 0.00 174.94 172.94 2dhk s THR 83 N -1.68 1.51 -0.02 2.92 2.01 -1.26 -1.43 115.64 117.69 2dhk s THR 83 Ca 0.32 -1.48 0.06 0.00 0.31 0.00 0.00 61.69 60.90 2dhk s THR 83 Cb -0.11 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 2dhk s THR 83 CO 0.25 -0.34 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.89 2dhk s LEU 84 N 1.36 2.02 0.33 4.42 1.43 -1.15 -1.95 118.68 125.14 2dhk s LEU 84 Ca 0.01 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.86 2dhk s LEU 84 Cb -0.18 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2dhk s LEU 84 CO -0.11 0.22 0.03 -1.59 0.23 0.00 0.00 176.35 175.13 2dhk s LYS 85 N -0.39 2.15 0.34 1.70 -2.85 -1.20 -2.01 119.74 117.48 2dhk s LYS 85 Ca 0.06 -1.67 0.08 0.00 -1.00 0.00 0.00 55.97 53.44 2dhk s LYS 85 Cb -0.08 -2.00 -0.07 0.00 -2.06 0.00 0.00 37.83 33.63 2dhk s LYS 85 CO -0.00 0.16 -0.07 0.00 0.10 0.00 0.00 175.35 175.54 2dhk s ALA 86 N -2.48 2.87 0.00 0.59 0.00 0.71 -3.71 121.76 119.74 2dhk s ALA 86 Ca 0.35 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2dhk s ALA 86 Cb -0.01 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2dhk s ALA 86 CO 0.20 0.01 0.91 0.00 0.00 0.00 0.00 175.76 176.88 2dhk n ALA 87 N -0.78 -0.02 -4.51 0.00 0.00 -1.26 -4.66 120.51 109.28 2dhk n ALA 87 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 2dhk n ALA 87 Cb 0.64 0.44 -0.06 0.00 0.00 0.00 0.00 19.45 20.47 2dhk n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dhk n THR 88 N -2.60 0.00 -0.13 0.00 -2.24 -1.26 -4.79 114.28 103.27 2dhk n THR 88 Ca 0.00 -2.09 0.08 0.00 -2.27 0.00 0.00 64.05 59.78 2dhk n THR 88 Cb 0.00 0.58 0.42 0.00 -2.10 0.00 0.00 70.33 69.23 2dhk n THR 88 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dhk h LYS 89 N 0.00 0.59 0.00 -0.78 1.63 -1.72 -0.46 116.57 115.82 2dhk h LYS 89 Ca -0.32 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.30 2dhk h LYS 89 Cb 1.09 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 2dhk h LYS 89 CO 0.53 0.39 -0.68 1.96 -3.45 0.00 0.00 179.45 178.19 2dhk h GLN 90 N 0.60 0.00 0.70 1.90 1.08 -1.93 -3.18 115.11 114.28 2dhk h GLN 90 Ca 0.28 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 2dhk h GLN 90 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2dhk h GLN 90 CO -0.09 0.68 -0.37 0.00 -0.95 0.00 0.00 178.83 178.10 2dhk h ALA 91 N 1.32 -1.24 -0.72 3.87 0.00 -1.45 -2.96 119.26 118.08 2dhk h ALA 91 Ca -0.01 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2dhk h ALA 91 Cb 1.26 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.38 2dhk h ALA 91 CO 0.09 -1.18 0.22 0.00 0.00 0.00 0.00 179.25 178.37 2dhk h MET 92 N -0.98 0.32 -1.08 0.00 -0.00 -1.63 0.68 114.93 112.24 2dhk h MET 92 Ca -0.10 -0.02 0.31 0.00 -0.00 0.00 0.00 59.70 59.90 2dhk h MET 92 Cb 0.77 -0.07 -0.12 0.00 -0.00 0.00 0.00 31.60 32.17 2dhk h MET 92 CO 0.13 0.21 0.67 -0.07 -0.00 0.00 0.00 176.91 177.86 2dhk h LEU 93 N 0.33 0.46 -0.36 -0.10 3.38 -1.51 0.51 115.31 118.02 2dhk h LEU 93 Ca 0.40 0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.36 2dhk h LEU 93 Cb 0.64 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2dhk h LEU 93 CO -0.45 -0.02 -0.32 0.22 0.09 0.00 0.00 178.44 177.95 2dhk h TYR 94 N 0.34 1.02 0.22 1.13 3.20 -0.71 -1.75 116.97 120.44 2dhk h TYR 94 Ca 0.69 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 2dhk h TYR 94 Cb 1.73 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.78 2dhk h TYR 94 CO -0.01 1.10 -0.11 -1.49 -1.64 0.00 0.00 178.16 176.01 2dhk h TRP 95 N 0.66 -0.28 -0.91 -3.82 4.06 -0.03 -0.80 115.95 114.83 2dhk h TRP 95 Ca 0.06 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.11 2dhk h TRP 95 Cb 0.91 0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 29.08 2dhk h TRP 95 CO 0.07 0.10 0.55 -0.07 -3.56 0.00 0.00 178.44 175.53 2dhk h LEU 96 N -0.76 0.80 0.43 -4.49 3.38 -0.61 0.48 115.31 114.53 2dhk h LEU 96 Ca -0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dhk h LEU 96 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2dhk h LEU 96 CO 0.05 0.44 -0.21 -0.61 0.09 0.00 0.00 178.44 178.21 2dhk h GLN 97 N 0.90 -0.55 0.35 1.13 5.75 -1.32 -3.21 115.11 118.15 2dhk h GLN 97 Ca 0.45 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.98 2dhk h GLN 97 Cb 0.42 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 2dhk h GLN 97 CO -0.26 -0.37 -0.46 1.96 -2.65 0.00 0.00 178.83 177.06 2dhk h GLN 98 N -0.83 -0.82 -0.66 1.69 1.08 -1.01 -1.97 115.11 112.59 2dhk h GLN 98 Ca -0.06 0.06 0.28 0.00 -1.45 0.00 0.00 58.65 57.48 2dhk h GLN 98 Cb 0.44 0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 27.94 2dhk h GLN 98 CO 0.10 -0.55 0.36 1.28 -0.95 0.00 0.00 178.83 179.07 2dhk n LEU 99 N -5.52 0.23 0.01 1.46 4.77 0.17 0.20 117.00 118.32 2dhk n LEU 99 Ca -0.10 1.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.85 2dhk n LEU 99 Cb 0.42 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2dhk n LEU 99 CO 0.24 -1.23 0.64 1.56 -1.33 0.00 0.00 177.39 177.27 2dhk h GLN 100 N 0.00 -0.05 -0.75 3.23 4.20 -1.35 -3.24 115.11 117.15 2dhk h GLN 100 Ca 0.56 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.40 2dhk h GLN 100 Cb 1.49 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 29.15 2dhk h GLN 100 CO -0.51 0.37 -0.26 -1.33 -0.67 0.00 0.00 178.83 176.43 2dhk n MET 101 N -4.91 -0.15 0.28 1.46 2.81 0.54 0.12 117.12 117.28 2dhk n MET 101 Ca -0.08 1.15 -0.18 0.00 -1.81 0.00 0.00 57.70 56.79 2dhk n MET 101 Cb 0.23 -1.72 -0.09 0.00 -0.71 0.00 0.00 33.22 30.93 2dhk n MET 101 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2dhk h LYS 102 N 0.00 -0.91 0.43 0.03 1.79 -1.57 0.66 116.57 117.01 2dhk h LYS 102 Ca 0.29 0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.80 2dhk h LYS 102 Cb 0.47 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2dhk h LYS 102 CO -0.75 -0.61 -0.21 -0.09 -1.08 0.00 0.00 179.45 176.72 2dhk h ARG 103 N -0.94 -0.56 -0.99 3.15 2.43 -0.42 -3.07 114.38 113.98 2dhk h ARG 103 Ca -0.05 0.04 0.35 0.00 -0.81 0.00 0.00 59.98 59.51 2dhk h ARG 103 Cb 0.82 0.13 -0.18 0.00 -0.42 0.00 0.00 29.97 30.32 2dhk h ARG 103 CO -0.05 -0.37 0.33 2.35 -1.51 0.00 0.00 179.97 180.72 2dhk h TRP 104 N -0.65 0.47 -0.46 2.20 7.01 0.86 0.54 115.95 125.93 2dhk h TRP 104 Ca -0.06 0.05 0.09 0.00 2.11 0.00 0.00 58.89 61.08 2dhk h TRP 104 Cb 0.44 -0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.38 2dhk h TRP 104 CO 0.10 -0.44 -0.09 0.93 -2.79 0.00 0.00 178.44 176.15 2dhk h GLU 105 N 0.02 0.02 -0.44 2.65 4.39 -0.76 -0.48 114.58 119.99 2dhk h GLU 105 Ca 0.74 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.50 2dhk h GLU 105 Cb 1.80 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.39 2dhk h GLU 105 CO -0.82 0.02 0.15 0.35 -1.16 0.00 0.00 179.01 177.54 2dhk h PHE 106 N 0.03 0.26 -0.93 4.33 3.57 0.15 0.17 116.94 124.52 2dhk h PHE 106 Ca 0.22 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.77 2dhk h PHE 106 Cb 0.34 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 2dhk h PHE 106 CO -0.37 0.09 0.61 0.45 -2.23 0.00 0.00 178.31 176.86 2dhk h HIS 107 N 0.31 1.14 -0.08 0.41 3.86 -1.06 -2.80 115.15 116.93 2dhk h HIS 107 Ca 0.21 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2dhk h HIS 107 Cb 0.21 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 2dhk h HIS 107 CO -0.16 0.67 -0.04 -0.91 0.86 0.00 0.00 177.93 178.35 2dhk h ASN 108 N 1.19 0.18 -1.97 2.45 -0.26 -0.25 -3.46 115.58 113.45 2dhk h ASN 108 Ca 0.36 -0.42 -0.55 0.00 -0.56 0.00 0.00 56.30 55.14 2dhk h ASN 108 Cb -0.03 -0.05 0.24 0.00 -1.06 0.00 0.00 38.32 37.42 2dhk h ASN 108 CO -0.11 0.56 -1.89 -1.20 -1.06 0.00 0.00 177.43 173.73 2dhk n SER 109 N -4.75 -5.77 -4.77 5.81 7.64 0.50 -4.87 113.62 107.40 2dhk n SER 109 Ca -0.07 0.17 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 2dhk n SER 109 Cb 0.26 -0.76 -0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2dhk n SER 109 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dhk s PRO 110 N -2.04 3.52 0.73 1.43 0.04 -1.26 -5.00 135.00 132.41 2dhk s PRO 110 Ca 0.40 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 2dhk s PRO 110 Cb -0.16 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.25 2dhk s PRO 110 CO 0.82 -0.73 1.10 -1.25 0.04 0.00 0.00 177.00 176.98 2dhk s PRO 111 N -3.06 2.46 0.39 0.56 0.04 -1.26 -5.07 135.00 129.06 2dhk s PRO 111 Ca 0.69 1.26 0.08 0.00 0.04 0.00 0.00 61.00 63.07 2dhk s PRO 111 Cb -0.26 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2dhk s PRO 111 CO 0.30 -1.50 0.31 0.00 0.04 0.00 0.00 177.00 176.15 2dhk s ALA 112 N -2.68 3.89 -1.39 8.56 0.00 -1.26 -5.00 121.76 123.88 2dhk s ALA 112 Ca 0.63 -1.86 0.15 0.00 0.00 0.00 0.00 51.96 50.88 2dhk s ALA 112 Cb -0.18 -0.94 0.73 0.00 0.00 0.00 0.00 23.12 22.73 2dhk s ALA 112 CO 0.50 -0.14 1.41 -0.35 0.00 0.00 0.00 175.76 177.19 2dhk n PRO 113 N -1.43 0.19 -4.58 0.00 -0.04 -1.26 -4.76 135.00 123.12 2dhk n PRO 113 Ca 0.01 0.16 -0.27 0.00 -0.04 0.00 0.00 63.50 63.36 2dhk n PRO 113 Cb 0.62 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 2dhk n PRO 113 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dhk s SER 114 N -2.61 3.19 0.00 3.54 1.04 -1.26 -5.11 113.70 112.49 2dhk s SER 114 Ca 0.13 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2dhk s SER 114 Cb 0.10 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2dhk s SER 114 CO 0.23 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2dhk n GLY 115 N -0.97 0.98 0.04 7.32 0.00 -1.26 -4.85 105.19 106.45 2dhk n GLY 115 Ca -0.09 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 44.04 2dhk n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhk n PRO 116 N -1.25 0.06 -2.87 1.61 -0.04 -1.26 -4.76 135.00 126.49 2dhk n PRO 116 Ca 0.00 0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 63.43 2dhk n PRO 116 Cb 0.00 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 2dhk n PRO 116 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dhk s SER 117 N -3.37 7.01 -0.24 3.54 0.01 -1.26 -5.06 113.70 114.33 2dhk s SER 117 Ca 0.06 1.65 -0.01 0.00 1.31 0.00 0.00 55.95 58.96 2dhk s SER 117 Cb 0.09 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.88 2dhk s SER 117 CO 0.30 -0.25 0.03 -0.55 0.41 0.00 0.00 173.24 173.18 2dhk s SER 118 N -2.04 3.54 0.00 2.44 0.15 -1.26 -5.02 113.70 111.51 2dhk s SER 118 Ca 0.57 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2dhk s SER 118 Cb -0.12 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 2dhk s SER 118 CO 0.16 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.89