#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhk h SER 2 N 0.00 -1.49 0.20 1.61 0.02 -2.09 -3.30 113.55 108.50 2dhk h SER 2 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2dhk h SER 2 Cb 0.00 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2dhk h SER 2 CO 0.00 -0.59 -0.09 -1.28 -1.14 0.00 0.00 176.83 173.73 2dhk h SER 3 N -0.83 -0.22 -2.90 3.07 0.87 -2.11 -3.50 113.55 107.93 2dhk h SER 3 Ca -0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dhk h SER 3 Cb 0.78 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2dhk h SER 3 CO -0.20 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 2dhk n GLY 4 N 0.98 -2.95 3.91 5.77 0.00 -1.25 -5.05 105.19 106.61 2dhk n GLY 4 Ca -0.03 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2dhk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhk s SER 5 N 0.00 6.39 -0.19 1.61 0.01 -1.26 -5.07 113.70 115.19 2dhk s SER 5 Ca 0.00 0.35 -0.25 0.00 1.31 0.00 0.00 55.95 57.36 2dhk s SER 5 Cb 0.00 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2dhk s SER 5 CO 0.00 0.20 0.84 -0.94 0.41 0.00 0.00 173.24 173.75 2dhk s SER 6 N -2.24 6.93 0.00 2.44 1.04 -1.26 -4.76 113.70 115.85 2dhk s SER 6 Ca 0.32 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2dhk s SER 6 Cb -0.13 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2dhk s SER 6 CO 0.23 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2dhk n GLY 7 N 3.52 0.77 1.83 7.32 0.00 -1.26 -4.89 105.19 112.49 2dhk n GLY 7 Ca 0.05 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2dhk n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dhk n LYS 8 N 2.99 1.60 -3.64 1.61 4.01 -1.26 -4.86 118.16 118.62 2dhk n LYS 8 Ca 0.00 -0.82 -0.37 0.00 -0.51 0.00 0.00 58.31 56.61 2dhk n LYS 8 Cb 0.00 -1.55 -0.10 0.00 -0.51 0.00 0.00 35.03 32.87 2dhk n LYS 8 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2dhk s LYS 9 N -0.13 3.99 -0.29 1.97 1.02 -1.26 -4.94 119.74 120.10 2dhk s LYS 9 Ca 0.33 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 2dhk s LYS 9 Cb 0.18 -3.58 0.09 0.00 -0.52 0.00 0.00 37.83 34.00 2dhk s LYS 9 CO -0.02 -0.07 0.07 -1.17 -0.92 0.00 0.00 175.35 173.24 2dhk s LEU 10 N 1.42 2.31 0.03 3.17 2.96 -1.26 -5.11 118.68 122.20 2dhk s LEU 10 Ca 0.07 -1.52 -0.05 0.00 -0.22 0.00 0.00 54.13 52.41 2dhk s LEU 10 Cb -0.15 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2dhk s LEU 10 CO 0.08 -0.38 0.08 0.00 -1.32 0.00 0.00 176.35 174.80 2dhk n GLY 12 N 1.07 1.82 3.78 0.00 0.00 -0.82 -5.03 105.19 106.01 2dhk n GLY 12 Ca -0.21 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.44 2.95 0.17 1.61 1.51 -1.26 -3.10 117.35 117.79 2dhk s TYR 13 Ca 0.00 1.57 -0.05 0.00 -1.01 0.00 0.00 57.07 57.58 2dhk s TYR 13 Cb 0.00 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 2dhk s TYR 13 CO 0.00 -1.17 0.20 -0.51 -1.11 0.00 0.00 175.55 172.96 2dhk s LEU 14 N -3.19 1.19 -0.46 -1.29 1.43 -0.64 -4.88 118.68 110.84 2dhk s LEU 14 Ca 0.65 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2dhk s LEU 14 Cb -0.23 0.77 0.05 0.00 0.03 0.00 0.00 46.19 46.81 2dhk s LEU 14 CO 0.28 -0.86 0.40 -0.44 0.23 0.00 0.00 176.35 175.97 2dhk s SER 15 N -3.05 6.15 -0.03 2.29 0.01 -1.23 -1.56 113.70 116.28 2dhk s SER 15 Ca 0.26 -1.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.10 2dhk s SER 15 Cb 0.05 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 2dhk s SER 15 CO 0.05 -0.62 1.37 -0.75 0.41 0.00 0.00 173.24 173.69 2dhk s LYS 16 N 1.81 4.28 -0.25 12.44 2.47 0.21 -3.76 119.74 136.95 2dhk s LYS 16 Ca 0.06 1.90 -0.13 0.00 -1.56 0.00 0.00 55.97 56.24 2dhk s LYS 16 Cb -0.22 -3.62 -0.05 0.00 -1.46 0.00 0.00 37.83 32.49 2dhk s LYS 16 CO 0.09 -0.58 0.26 0.12 0.16 0.00 0.00 175.35 175.40 2dhk s PHE 17 N 2.58 3.29 -0.20 4.03 5.36 -1.13 -0.19 117.98 131.71 2dhk s PHE 17 Ca 0.62 0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 56.84 2dhk s PHE 17 Cb -0.29 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 2dhk s PHE 17 CO 0.25 -0.06 0.28 0.41 -1.46 0.00 0.00 175.22 174.63 2dhk n GLY 18 N 4.46 -1.02 0.00 13.12 0.00 -0.67 -4.67 105.19 116.41 2dhk n GLY 18 Ca -0.12 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.40 0.64 2.38 -0.02 0.00 -1.26 -4.78 105.19 101.75 2dhk n GLY 19 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.18 -4.02 1.61 4.76 -1.26 -5.00 118.16 117.43 2dhk n LYS 20 Ca 0.00 -3.92 -0.08 0.00 -2.87 0.00 0.00 58.31 51.44 2dhk n LYS 20 Cb 0.00 -2.27 -0.09 0.00 -1.84 0.00 0.00 35.03 30.82 2dhk n LYS 20 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2dhk s GLY 21 N -2.69 0.36 0.49 0.72 0.00 -1.26 -5.04 107.32 99.90 2dhk s GLY 21 Ca 0.54 -1.01 0.27 0.00 0.00 0.00 0.00 44.72 44.53 2dhk s GLY 21 CO -0.11 -1.13 1.92 -0.56 0.00 0.00 0.00 173.10 173.21 2dhk h PRO 22 N 3.17 0.00 -7.66 2.90 0.13 -1.99 -3.45 132.00 125.10 2dhk h PRO 22 Ca -0.34 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.33 2dhk h PRO 22 Cb 1.16 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.42 2dhk h PRO 22 CO 0.62 0.15 0.38 0.96 -0.23 0.00 0.00 178.00 179.88 2dhk s ILE 23 N -3.76 2.03 -0.18 -3.56 -0.00 -1.26 -5.08 121.20 109.39 2dhk s ILE 23 Ca -0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 60.65 60.60 2dhk s ILE 23 Cb 0.10 -2.98 0.02 0.00 -0.00 0.00 0.00 42.46 39.61 2dhk s ILE 23 CO 0.60 0.00 -0.19 -0.13 -0.00 0.00 0.00 174.94 175.22 2dhk s ARG 24 N -5.67 2.98 -0.02 0.37 3.00 -1.26 -4.64 118.95 113.71 2dhk s ARG 24 Ca 0.68 -0.84 -0.29 0.00 0.00 0.00 0.00 55.73 55.28 2dhk s ARG 24 Cb -0.07 -2.59 0.07 0.00 0.00 0.00 0.00 34.95 32.35 2dhk s ARG 24 CO 0.50 -0.22 0.65 0.20 0.00 0.00 0.00 175.30 176.43 2dhk s GLY 25 N 1.29 -0.56 0.52 -3.53 0.00 -1.26 -4.90 107.32 98.87 2dhk s GLY 25 Ca 0.05 1.17 -0.18 0.00 0.00 0.00 0.00 44.72 45.75 2dhk s GLY 25 CO -0.12 0.82 1.02 -0.98 0.00 0.00 0.00 173.10 173.83 2dhk s TRP 26 N -1.49 3.14 -0.10 1.90 0.52 -1.26 -1.67 118.94 119.98 2dhk s TRP 26 Ca -0.10 1.54 -0.09 0.00 0.02 0.00 0.00 56.10 57.47 2dhk s TRP 26 Cb -0.00 -2.96 0.03 0.00 -1.15 0.00 0.00 33.47 29.39 2dhk s TRP 26 CO 0.07 -0.71 0.27 0.21 0.02 0.00 0.00 176.95 176.82 2dhk s LYS 27 N -3.65 0.31 -0.50 4.98 2.20 0.73 -4.89 119.74 118.92 2dhk s LYS 27 Ca 0.64 0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 56.35 2dhk s LYS 27 Cb -0.14 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.33 2dhk s LYS 27 CO 0.26 -0.04 1.62 -1.12 -0.36 0.00 0.00 175.35 175.71 2dhk s SER 28 N 0.15 5.89 0.10 1.43 0.01 -1.26 0.66 113.70 120.68 2dhk s SER 28 Ca -0.00 0.62 0.07 0.00 1.31 0.00 0.00 55.95 57.95 2dhk s SER 28 Cb -0.02 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2dhk s SER 28 CO 0.00 -1.84 -0.18 -0.60 0.41 0.00 0.00 173.24 171.04 2dhk s ARG 29 N 5.84 1.03 -0.23 12.44 6.06 -0.60 -4.93 118.95 138.56 2dhk s ARG 29 Ca 0.64 -1.12 -0.16 0.00 -2.50 0.00 0.00 55.73 52.59 2dhk s ARG 29 Cb -0.14 -1.16 -0.04 0.00 0.06 0.00 0.00 34.95 33.67 2dhk s ARG 29 CO 0.27 0.26 0.39 -0.46 -2.50 0.00 0.00 175.30 173.26 2dhk s TRP 30 N -1.36 3.33 -0.04 5.12 -0.11 0.14 -1.63 118.94 124.40 2dhk s TRP 30 Ca 0.05 0.55 0.04 0.00 1.22 0.00 0.00 56.10 57.96 2dhk s TRP 30 Cb -0.09 -2.55 -0.03 0.00 -1.50 0.00 0.00 33.47 29.31 2dhk s TRP 30 CO 0.04 -0.09 -0.14 -0.06 -4.62 0.00 0.00 176.95 172.07 2dhk s PHE 31 N 1.59 2.69 -0.18 5.86 0.40 -1.18 0.37 117.98 127.53 2dhk s PHE 31 Ca 0.18 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.20 2dhk s PHE 31 Cb -0.15 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.82 2dhk s PHE 31 CO 0.08 0.20 0.47 -0.59 0.70 0.00 0.00 175.22 176.09 2dhk s PHE 32 N -0.77 -0.60 0.49 0.36 -0.12 0.12 -1.95 117.98 115.52 2dhk s PHE 32 Ca 0.12 1.36 -0.16 0.00 -0.05 0.00 0.00 56.93 58.20 2dhk s PHE 32 Cb -0.11 0.25 -0.08 0.00 -0.63 0.00 0.00 43.02 42.45 2dhk s PHE 32 CO 0.01 -0.31 0.95 -0.47 -0.05 0.00 0.00 175.22 175.36 2dhk s TYR 33 N 0.75 3.44 -0.28 3.49 5.04 -0.83 -1.03 117.35 127.94 2dhk s TYR 33 Ca -0.04 1.42 0.03 0.00 -2.44 0.00 0.00 57.07 56.04 2dhk s TYR 33 Cb -0.05 -2.75 0.07 0.00 0.35 0.00 0.00 41.96 39.58 2dhk s TYR 33 CO -0.06 -0.31 -0.04 0.34 -1.34 0.00 0.00 175.55 174.15 2dhk s ASP 34 N -3.00 4.38 -0.05 4.32 2.15 -0.20 -4.85 116.67 119.43 2dhk s ASP 34 Ca 0.58 -1.60 0.02 0.00 0.43 0.00 0.00 52.55 51.99 2dhk s ASP 34 Cb -0.10 -1.45 0.15 0.00 -0.30 0.00 0.00 42.92 41.22 2dhk s ASP 34 CO 0.30 -0.27 0.78 -1.84 -0.17 0.00 0.00 175.17 173.96 2dhk n GLU 35 N 4.46 1.66 -0.10 4.34 0.00 -1.26 -1.83 120.64 127.90 2dhk n GLU 35 Ca -0.07 -0.57 -0.14 0.00 0.00 0.00 0.00 57.16 56.37 2dhk n GLU 35 Cb 0.42 -1.59 -0.10 0.00 0.00 0.00 0.00 31.44 30.17 2dhk n GLU 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dhk n ARG 36 N 0.12 0.63 0.00 3.44 1.74 -1.26 -4.66 116.66 116.67 2dhk n ARG 36 Ca 0.06 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2dhk n ARG 36 Cb 0.46 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 2dhk n ARG 36 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2dhk n LYS 37 N -3.06 0.81 -3.34 5.56 5.02 -1.23 -5.01 118.16 116.90 2dhk n LYS 37 Ca -0.37 -0.84 -0.17 0.00 -2.02 0.00 0.00 58.31 54.91 2dhk n LYS 37 Cb 0.92 -0.89 0.08 0.00 -0.02 0.00 0.00 35.03 35.12 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 -5.56 0.44 -0.30 0.00 -0.21 -1.10 -4.25 119.66 108.68 2dhk s GLN 39 Ca 0.20 -0.66 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 2dhk s GLN 39 Cb -0.09 -0.16 -0.03 0.00 1.00 0.00 0.00 33.01 33.73 2dhk s GLN 39 CO 0.64 0.02 0.42 -1.17 -2.12 0.00 0.00 175.29 173.08 2dhk s LEU 40 N -1.42 4.16 0.07 2.90 2.96 -0.67 -1.03 118.68 125.65 2dhk s LEU 40 Ca -0.11 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 2dhk s LEU 40 Cb -0.09 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2dhk s LEU 40 CO -0.00 -0.28 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.36 2dhk s TYR 41 N 2.16 2.82 -0.08 5.38 1.51 -0.19 -0.18 117.35 128.76 2dhk s TYR 41 Ca 0.16 -0.10 -0.08 0.00 -1.01 0.00 0.00 57.07 56.04 2dhk s TYR 41 Cb -0.16 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2dhk s TYR 41 CO 0.11 0.41 0.22 1.52 -1.11 0.00 0.00 175.55 176.70 2dhk s TYR 42 N -1.15 -0.25 0.24 2.71 -0.85 -0.85 0.13 117.35 117.33 2dhk s TYR 42 Ca 0.20 0.61 0.03 0.00 -0.52 0.00 0.00 57.07 57.39 2dhk s TYR 42 Cb -0.11 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.30 2dhk s TYR 42 CO 0.12 -0.13 0.10 -1.13 -1.52 0.00 0.00 175.55 172.99 2dhk n SER 43 N 3.06 0.93 -0.15 -0.18 3.41 0.16 -1.55 113.62 119.30 2dhk n SER 43 Ca -0.14 -2.33 -0.10 0.00 -0.26 0.00 0.00 58.87 56.05 2dhk n SER 43 Cb 0.58 0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 65.20 2dhk n SER 43 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dhk h ARG 44 N 0.00 0.68 -2.90 4.33 2.47 -1.88 0.40 114.38 117.48 2dhk h ARG 44 Ca -0.19 -0.17 -0.09 0.00 -1.26 0.00 0.00 59.98 58.27 2dhk h ARG 44 Cb 0.74 -0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 28.79 2dhk h ARG 44 CO 0.30 0.70 -0.13 0.95 0.56 0.00 0.00 179.97 182.35 2dhk s THR 45 N -5.26 0.05 0.57 2.04 -4.23 -1.26 -3.75 115.64 103.79 2dhk s THR 45 Ca -0.13 -0.41 0.29 0.00 -1.18 0.00 0.00 61.69 60.26 2dhk s THR 45 Cb 0.10 -0.84 0.42 0.00 1.34 0.00 0.00 72.50 73.52 2dhk s THR 45 CO 0.78 -0.23 1.90 0.00 -0.54 0.00 0.00 174.62 176.52 2dhk h ALA 46 N 3.31 2.46 -0.18 3.99 0.00 -1.93 0.33 119.26 127.24 2dhk h ALA 46 Ca -0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2dhk h ALA 46 Cb 1.19 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dhk h ALA 46 CO 0.42 -0.86 -0.16 1.96 0.00 0.00 0.00 179.25 180.61 2dhk h GLN 47 N 0.00 0.30 -3.85 0.00 1.08 -2.00 -3.30 115.11 107.33 2dhk h GLN 47 Ca 0.30 -0.08 -0.71 0.00 -1.45 0.00 0.00 58.65 56.70 2dhk h GLN 47 Cb 1.38 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.72 2dhk h GLN 47 CO -0.00 0.46 3.03 -0.25 -0.95 0.00 0.00 178.83 181.11 2dhk n ASP 48 N -4.23 4.38 -0.22 1.46 9.92 0.12 -4.78 116.55 123.20 2dhk n ASP 48 Ca -0.00 -2.86 0.21 0.00 -0.53 0.00 0.00 54.79 51.61 2dhk n ASP 48 Cb 0.30 -1.63 0.39 0.00 -0.64 0.00 0.00 41.12 39.55 2dhk n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dhk n ALA 49 N 5.59 0.69 -1.91 2.24 0.00 -1.25 -4.03 120.51 121.85 2dhk n ALA 49 Ca 0.52 0.70 -0.43 0.00 0.00 0.00 0.00 53.44 54.23 2dhk n ALA 49 Cb 0.37 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2dhk n ALA 49 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dhk s ASN 50 N -4.69 5.90 -0.04 0.00 0.01 -1.26 -4.94 114.94 109.93 2dhk s ASN 50 Ca -0.06 1.57 -0.30 0.00 -0.71 0.00 0.00 52.86 53.36 2dhk s ASN 50 Cb 0.23 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 2dhk s ASN 50 CO 0.53 -1.65 1.48 -2.16 -1.51 0.00 0.00 177.10 173.79 2dhk s PRO 51 N 5.59 4.24 0.16 -0.60 0.04 -1.26 -4.79 135.00 138.37 2dhk s PRO 51 Ca 0.84 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.71 2dhk s PRO 51 Cb -0.26 -3.73 0.06 0.00 0.04 0.00 0.00 34.50 30.61 2dhk s PRO 51 CO 0.34 -0.69 1.66 -0.07 0.04 0.00 0.00 177.00 178.28 2dhk h LEU 52 N 9.16 -0.46 -7.75 -3.56 3.38 -1.61 -3.45 115.31 111.01 2dhk h LEU 52 Ca -0.37 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2dhk h LEU 52 Cb 1.17 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 42.07 2dhk h LEU 52 CO 0.93 -0.17 -0.08 -1.81 0.09 0.00 0.00 178.44 177.40 2dhk s ASP 53 N -5.16 -0.17 0.10 -0.43 1.01 -1.11 -5.03 116.67 105.88 2dhk s ASP 53 Ca -0.14 -0.57 0.06 0.00 0.71 0.00 0.00 52.55 52.61 2dhk s ASP 53 Cb 0.13 0.52 -0.03 0.00 1.01 0.00 0.00 42.92 44.55 2dhk s ASP 53 CO 0.70 -0.98 -0.15 -0.94 0.21 0.00 0.00 175.17 174.01 2dhk s SER 54 N -2.89 1.97 -0.08 0.27 1.04 -1.26 -2.01 113.70 110.74 2dhk s SER 54 Ca 0.10 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.83 2dhk s SER 54 Cb 0.01 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2dhk s SER 54 CO -0.03 -0.09 -0.12 -0.63 0.98 0.00 0.00 173.24 173.35 2dhk s ILE 55 N -1.69 1.15 -0.60 -1.02 1.09 0.75 -4.96 121.20 115.93 2dhk s ILE 55 Ca 0.05 -0.45 -0.27 0.00 -1.10 0.00 0.00 60.65 58.87 2dhk s ILE 55 Cb -0.07 -1.07 -0.00 0.00 -1.06 0.00 0.00 42.46 40.25 2dhk s ILE 55 CO 0.03 0.37 1.65 -0.62 -0.10 0.00 0.00 174.94 176.27 2dhk s ASP 56 N 0.92 5.68 0.26 3.58 2.15 -1.26 -1.67 116.67 126.34 2dhk s ASP 56 Ca -0.09 0.28 0.09 0.00 0.43 0.00 0.00 52.55 53.25 2dhk s ASP 56 Cb -0.15 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.25 2dhk s ASP 56 CO 0.01 -2.06 1.59 -0.07 -0.17 0.00 0.00 175.17 174.47 2dhk h LEU 57 N 14.80 0.07 -0.97 -1.34 3.38 -1.93 -3.17 115.31 126.13 2dhk h LEU 57 Ca -0.27 -0.04 0.31 0.00 0.09 0.00 0.00 57.88 57.97 2dhk h LEU 57 Cb 1.13 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 2dhk h LEU 57 CO 1.20 0.67 0.47 0.77 0.09 0.00 0.00 178.44 181.64 2dhk h SER 58 N 0.04 0.34 -0.51 -0.43 4.64 -1.88 0.31 113.55 116.05 2dhk h SER 58 Ca -0.01 0.20 -0.35 0.00 -0.47 0.00 0.00 61.79 61.16 2dhk h SER 58 Cb 1.11 0.19 -0.25 0.00 -0.31 0.00 0.00 62.40 63.15 2dhk h SER 58 CO 0.08 -0.18 -0.42 -1.20 -0.87 0.00 0.00 176.83 174.24 2dhk n SER 59 N -5.13 3.89 -4.49 4.97 7.64 -1.21 -5.02 113.62 114.28 2dhk n SER 59 Ca 0.30 -3.80 -0.31 0.00 1.01 0.00 0.00 58.87 56.07 2dhk n SER 59 Cb 0.94 -0.51 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 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 -3.46 2.68 -0.18 -0.43 0.00 0.11 -4.23 121.76 116.24 2dhk s ALA 60 Ca 0.48 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2dhk s ALA 60 Cb 0.41 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2dhk s ALA 60 CO -0.00 0.59 -0.14 0.54 0.00 0.00 0.00 175.76 176.74 2dhk s VAL 61 N -0.99 1.80 0.02 0.00 0.11 -0.44 -4.95 120.40 115.95 2dhk s VAL 61 Ca 0.16 -0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 58.04 2dhk s VAL 61 Cb -0.11 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 2dhk s VAL 61 CO 0.07 0.35 0.74 -0.36 -3.33 0.00 0.00 175.10 172.57 2dhk s PHE 62 N 1.36 3.70 0.18 1.54 0.08 -1.26 -0.74 117.98 122.85 2dhk s PHE 62 Ca 0.02 1.41 -0.00 0.00 0.12 0.00 0.00 56.93 58.47 2dhk s PHE 62 Cb -0.15 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 2dhk s PHE 62 CO -0.10 0.25 0.08 0.34 -0.10 0.00 0.00 175.22 175.69 2dhk s ASP 63 N 0.08 0.53 -0.04 1.36 2.15 0.66 -4.95 116.67 116.45 2dhk s ASP 63 Ca 0.38 -1.30 0.02 0.00 0.43 0.00 0.00 52.55 52.07 2dhk s ASP 63 Cb -0.20 0.28 -0.03 0.00 -0.30 0.00 0.00 42.92 42.67 2dhk s ASP 63 CO 0.22 -0.75 -0.06 0.00 -0.17 0.00 0.00 175.17 174.41 2dhk s LYS 65 N -1.08 0.41 0.15 0.00 -0.14 -0.99 -4.90 119.74 113.18 2dhk s LYS 65 Ca 0.15 -0.25 -0.15 0.00 -1.36 0.00 0.00 55.97 54.36 2dhk s LYS 65 Cb -0.11 -1.80 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2dhk s LYS 65 CO 0.04 -2.59 1.72 0.00 -0.76 0.00 0.00 175.35 173.76 2dhk h ALA 66 N -1.77 0.60 -0.25 5.17 0.00 -2.00 -2.61 119.26 118.40 2dhk h ALA 66 Ca -0.45 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 2dhk h ALA 66 Cb 1.26 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2dhk h ALA 66 CO 0.41 0.17 0.20 -3.47 0.00 0.00 0.00 179.25 176.57 2dhk n ASP 67 N -4.62 5.27 -0.18 0.00 2.03 -1.26 -4.49 116.55 113.30 2dhk n ASP 67 Ca 0.01 -2.66 0.22 0.00 0.52 0.00 0.00 54.79 52.88 2dhk n ASP 67 Cb 0.13 -0.97 0.60 0.00 -0.72 0.00 0.00 41.12 40.16 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dhk h ALA 68 N 1.37 2.44 -1.43 -1.67 0.00 -1.73 -0.80 119.26 117.43 2dhk h ALA 68 Ca 0.15 -0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.50 2dhk h ALA 68 Cb 1.08 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 2dhk h ALA 68 CO 0.36 -0.69 0.97 1.05 0.00 0.00 0.00 179.25 180.95 2dhk h GLU 69 N 0.23 0.08 0.19 0.00 4.11 -1.88 0.58 114.58 117.89 2dhk h GLU 69 Ca 0.42 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.59 2dhk h GLU 69 Cb 1.28 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 30.55 2dhk h GLU 69 CO -0.10 0.05 -1.13 1.49 0.07 0.00 0.00 179.01 179.39 2dhk h GLU 70 N 0.08 0.41 0.00 1.06 4.81 -1.53 -3.37 114.58 116.04 2dhk h GLU 70 Ca 0.79 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2dhk h GLU 70 Cb 2.72 0.26 0.00 0.00 0.63 0.00 0.00 28.75 32.36 2dhk h GLU 70 CO -0.25 1.33 0.00 0.41 -0.73 0.00 0.00 179.01 179.78 2dhk n GLY 71 N 1.70 0.26 3.22 1.92 0.00 0.20 -2.75 105.19 109.75 2dhk n GLY 71 Ca -0.16 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 1.51 0.32 -0.61 1.09 -1.26 -0.01 121.20 122.25 2dhk s ILE 72 Ca 0.00 -1.17 0.05 0.00 -1.10 0.00 0.00 60.65 58.43 2dhk s ILE 72 Cb 0.00 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 40.04 2dhk s ILE 72 CO 0.00 0.13 0.30 0.72 -0.10 0.00 0.00 174.94 175.99 2dhk s PHE 73 N -0.84 1.61 -0.15 3.97 -0.71 -0.69 -2.36 117.98 118.81 2dhk s PHE 73 Ca 0.06 -1.59 -0.10 0.00 -1.04 0.00 0.00 56.93 54.26 2dhk s PHE 73 Cb -0.09 -0.60 0.05 0.00 -1.21 0.00 0.00 43.02 41.17 2dhk s PHE 73 CO 0.02 -0.90 0.37 -1.21 -1.34 0.00 0.00 175.22 172.16 2dhk s GLU 74 N -3.43 0.38 -0.47 1.99 2.02 0.14 -2.94 118.70 116.40 2dhk s GLU 74 Ca 0.39 0.63 -0.11 0.00 0.02 0.00 0.00 54.97 55.90 2dhk s GLU 74 Cb 0.02 0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.41 2dhk s GLU 74 CO 0.25 -0.12 0.35 0.42 0.02 0.00 0.00 175.26 176.19 2dhk s ILE 75 N 0.89 4.55 -0.36 -1.63 1.01 0.51 -0.25 121.20 125.92 2dhk s ILE 75 Ca -0.06 -1.49 -0.28 0.00 0.00 0.00 0.00 60.65 58.82 2dhk s ILE 75 Cb -0.06 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2dhk s ILE 75 CO -0.07 -0.67 1.03 -0.54 0.00 0.00 0.00 174.94 174.69 2dhk s LYS 76 N 1.47 3.94 0.11 2.79 3.01 0.08 -2.04 119.74 129.10 2dhk s LYS 76 Ca 0.04 0.83 0.07 0.00 -1.01 0.00 0.00 55.97 55.90 2dhk s LYS 76 Cb -0.25 -3.78 -0.04 0.00 -1.01 0.00 0.00 37.83 32.75 2dhk s LYS 76 CO 0.02 -0.98 -0.17 0.95 0.51 0.00 0.00 175.35 175.67 2dhk s THR 77 N 3.70 1.52 -2.00 2.17 -4.23 -1.26 -1.32 115.64 114.22 2dhk s THR 77 Ca 0.43 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 2dhk s THR 77 Cb -0.11 -1.52 0.23 0.00 1.34 0.00 0.00 72.50 72.44 2dhk s THR 77 CO 0.19 -0.24 0.94 -0.81 -0.54 0.00 0.00 174.62 174.16 2dhk n PRO 78 N 0.81 0.49 -0.05 3.99 -0.04 -1.26 -3.15 135.00 135.79 2dhk n PRO 78 Ca -0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2dhk n PRO 78 Cb 0.55 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.71 2dhk n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dhk n SER 79 N -0.76 0.76 -3.63 3.54 3.41 -1.26 -5.08 113.62 110.60 2dhk n SER 79 Ca 0.06 0.13 -0.03 0.00 -0.26 0.00 0.00 58.87 58.77 2dhk n SER 79 Cb 0.03 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 2dhk n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dhk s ARG 80 N -2.20 0.46 -0.20 4.33 1.70 -1.19 -5.13 118.95 116.73 2dhk s ARG 80 Ca -0.15 0.83 -0.29 0.00 -0.47 0.00 0.00 55.73 55.65 2dhk s ARG 80 Cb 0.06 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 2dhk s ARG 80 CO 0.19 -0.10 1.34 0.08 -1.08 0.00 0.00 175.30 175.73 2dhk s VAL 81 N 1.52 4.13 -0.10 4.99 1.01 -1.26 -4.14 120.40 126.55 2dhk s VAL 81 Ca -0.09 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 2dhk s VAL 81 Cb -0.04 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2dhk s VAL 81 CO -0.16 -0.23 0.04 -0.63 0.00 0.00 0.00 175.10 174.11 2dhk s ILE 82 N 3.94 4.63 -0.35 2.22 -1.09 -0.87 -4.99 121.20 124.70 2dhk s ILE 82 Ca 0.58 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.91 2dhk s ILE 82 Cb -0.22 -2.97 0.10 0.00 -1.58 0.00 0.00 42.46 37.79 2dhk s ILE 82 CO 0.19 0.60 0.07 -0.89 -1.23 0.00 0.00 174.94 173.69 2dhk s THR 83 N -0.86 2.44 0.06 2.92 2.01 -1.26 -0.37 115.64 120.58 2dhk s THR 83 Ca 0.13 -2.27 0.08 0.00 0.31 0.00 0.00 61.69 59.94 2dhk s THR 83 Cb -0.12 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2dhk s THR 83 CO 0.03 -0.59 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.42 2dhk s LEU 84 N 0.95 2.61 0.26 4.42 1.43 -1.15 -2.86 118.68 124.34 2dhk s LEU 84 Ca 0.10 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.85 2dhk s LEU 84 Cb -0.20 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2dhk s LEU 84 CO -0.07 0.24 -0.19 -1.59 0.23 0.00 0.00 176.35 174.96 2dhk s LYS 85 N -1.58 1.60 0.47 1.70 -2.85 -1.25 -1.70 119.74 116.13 2dhk s LYS 85 Ca 0.15 -1.71 0.05 0.00 -1.00 0.00 0.00 55.97 53.46 2dhk s LYS 85 Cb -0.10 -1.66 -0.02 0.00 -2.06 0.00 0.00 37.83 33.98 2dhk s LYS 85 CO 0.06 0.31 0.14 0.00 0.10 0.00 0.00 175.35 175.96 2dhk s ALA 86 N -2.51 3.88 0.02 0.59 0.00 0.98 -3.54 121.76 121.17 2dhk s ALA 86 Ca 0.28 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 2dhk s ALA 86 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2dhk s ALA 86 CO 0.13 -0.17 1.10 0.00 0.00 0.00 0.00 175.76 176.82 2dhk h ALA 87 N 1.31 -0.71 -1.38 0.00 0.00 -1.89 -3.43 119.26 113.16 2dhk h ALA 87 Ca -0.42 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 2dhk h ALA 87 Cb 1.28 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 19.39 2dhk h ALA 87 CO 0.70 -0.73 -0.53 0.95 0.00 0.00 0.00 179.25 179.65 2dhk s THR 88 N -3.51 0.86 0.36 0.00 -4.23 -1.26 -4.74 115.64 103.14 2dhk s THR 88 Ca -0.03 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.57 2dhk s THR 88 Cb 0.01 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.79 2dhk s THR 88 CO 0.11 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.58 2dhk h LYS 89 N 1.72 0.65 -0.13 3.99 1.63 -1.69 -0.13 116.57 122.62 2dhk h LYS 89 Ca -0.38 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.22 2dhk h LYS 89 Cb 1.28 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 2dhk h LYS 89 CO 0.63 0.43 -0.58 1.96 -3.45 0.00 0.00 179.45 178.45 2dhk h GLN 90 N 0.67 0.41 0.38 1.90 4.20 -1.93 -2.99 115.11 117.75 2dhk h GLN 90 Ca 0.42 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2dhk h GLN 90 Cb 0.66 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2dhk h GLN 90 CO -0.18 0.87 -0.41 0.00 -0.67 0.00 0.00 178.83 178.44 2dhk h ALA 91 N 1.07 -1.07 -0.48 3.87 0.00 -1.40 -2.76 119.26 118.50 2dhk h ALA 91 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2dhk h ALA 91 Cb 1.10 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2dhk h ALA 91 CO 0.10 -1.10 0.09 0.00 0.00 0.00 0.00 179.25 178.34 2dhk h MET 92 N -0.80 0.22 -1.36 0.00 -0.00 -1.60 -0.52 114.93 110.86 2dhk h MET 92 Ca -0.05 -0.01 0.41 0.00 -0.00 0.00 0.00 59.70 60.05 2dhk h MET 92 Cb 0.70 -0.05 -0.10 0.00 -0.00 0.00 0.00 31.60 32.15 2dhk h MET 92 CO -0.07 0.14 0.92 -0.07 -0.00 0.00 0.00 176.91 177.83 2dhk h LEU 93 N 0.22 0.19 -0.13 -0.10 3.38 -1.35 1.04 115.31 118.57 2dhk h LEU 93 Ca 0.24 0.08 -0.24 0.00 0.09 0.00 0.00 57.88 58.05 2dhk h LEU 93 Cb 0.32 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dhk h LEU 93 CO -0.32 -0.07 -0.92 0.22 0.09 0.00 0.00 178.44 177.45 2dhk h TYR 94 N 0.11 0.88 -0.14 1.13 3.20 -0.82 -2.09 116.97 119.25 2dhk h TYR 94 Ca 0.76 -0.45 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 2dhk h TYR 94 Cb 2.54 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 40.70 2dhk h TYR 94 CO -0.00 1.27 -0.21 -1.49 -1.64 0.00 0.00 178.16 176.09 2dhk h TRP 95 N 0.38 0.47 -0.44 -3.82 4.06 0.11 -0.73 115.95 115.97 2dhk h TRP 95 Ca -0.09 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 2dhk h TRP 95 Cb 1.55 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.60 2dhk h TRP 95 CO 0.08 0.82 0.17 -0.07 -3.56 0.00 0.00 178.44 175.88 2dhk h LEU 96 N -0.02 0.62 -0.02 -4.49 3.38 -0.69 0.49 115.31 114.59 2dhk h LEU 96 Ca 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2dhk h LEU 96 Cb 0.78 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2dhk h LEU 96 CO 0.05 0.63 0.00 -0.61 0.09 0.00 0.00 178.44 178.60 2dhk h GLN 97 N 0.57 0.03 0.58 1.13 5.75 -1.41 -2.78 115.11 118.97 2dhk h GLN 97 Ca 0.15 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 2dhk h GLN 97 Cb 0.21 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.76 2dhk h GLN 97 CO -0.01 0.31 -0.28 1.96 -2.65 0.00 0.00 178.83 178.16 2dhk h GLN 98 N -0.26 -0.75 -1.00 1.69 1.08 -1.07 -2.85 115.11 111.95 2dhk h GLN 98 Ca 0.00 0.05 0.40 0.00 -1.45 0.00 0.00 58.65 57.65 2dhk h GLN 98 Cb 0.30 0.17 -0.17 0.00 -0.05 0.00 0.00 27.48 27.73 2dhk h GLN 98 CO 0.00 -0.44 0.53 -0.07 -0.95 0.00 0.00 178.83 177.90 2dhk h LEU 99 N -1.06 0.34 -0.12 1.46 3.38 -0.10 0.62 115.31 119.83 2dhk h LEU 99 Ca -0.08 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2dhk h LEU 99 Cb 0.66 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2dhk h LEU 99 CO 0.13 -0.38 0.02 1.56 0.09 0.00 0.00 178.44 179.87 2dhk h GLN 100 N 0.07 0.20 -0.97 1.13 4.20 -1.39 -3.09 115.11 115.25 2dhk h GLN 100 Ca 0.82 -0.05 0.21 0.00 0.06 0.00 0.00 58.65 59.68 2dhk h GLN 100 Cb 2.11 -0.02 -0.18 0.00 0.30 0.00 0.00 27.48 29.68 2dhk h GLN 100 CO -0.74 0.39 -0.20 0.52 -0.67 0.00 0.00 178.83 178.13 2dhk h MET 101 N -0.02 0.00 -0.04 1.46 2.86 0.48 0.60 114.93 120.28 2dhk h MET 101 Ca 0.04 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2dhk h MET 101 Cb 0.28 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2dhk h MET 101 CO 0.00 0.00 -0.13 0.87 1.06 0.00 0.00 176.91 178.71 2dhk h LYS 102 N 0.00 -0.19 0.54 1.72 1.79 -1.45 0.22 116.57 119.20 2dhk h LYS 102 Ca 0.49 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.94 2dhk h LYS 102 Cb 0.79 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.49 2dhk h LYS 102 CO -0.99 -0.13 -0.26 -0.09 -1.08 0.00 0.00 179.45 176.91 2dhk h ARG 103 N -0.20 -0.70 -0.88 3.15 2.43 -0.43 -2.86 114.38 114.89 2dhk h ARG 103 Ca 0.06 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.51 2dhk h ARG 103 Cb 0.28 0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 29.85 2dhk h ARG 103 CO -0.15 -0.47 0.27 2.35 -1.51 0.00 0.00 179.97 180.46 2dhk h TRP 104 N -0.90 0.41 -0.86 2.20 7.01 -0.02 0.37 115.95 124.16 2dhk h TRP 104 Ca -0.07 0.05 0.11 0.00 2.11 0.00 0.00 58.89 61.09 2dhk h TRP 104 Cb 0.56 -0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.50 2dhk h TRP 104 CO 0.05 -0.18 0.49 0.93 -2.79 0.00 0.00 178.44 176.94 2dhk h GLU 105 N 0.24 0.76 -0.81 2.65 5.08 -0.54 0.24 114.58 122.20 2dhk h GLU 105 Ca 0.55 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 2dhk h GLU 105 Cb 1.11 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2dhk h GLU 105 CO -0.63 0.50 0.38 0.35 -1.00 0.00 0.00 179.01 178.62 2dhk h PHE 106 N 0.78 1.17 0.34 4.33 3.57 -0.04 0.32 116.94 127.41 2dhk h PHE 106 Ca 0.43 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 2dhk h PHE 106 Cb 0.46 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2dhk h PHE 106 CO -0.06 0.85 -0.16 0.45 -2.23 0.00 0.00 178.31 177.16 2dhk h HIS 107 N 1.16 -0.42 0.00 0.41 3.86 -0.75 -3.18 115.15 116.22 2dhk h HIS 107 Ca 0.28 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2dhk h HIS 107 Cb 0.12 0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2dhk h HIS 107 CO 0.01 -0.22 0.00 0.09 0.86 0.00 0.00 177.93 178.67 2dhk n ASN 108 N -5.08 0.18 -3.44 2.45 5.03 0.69 -4.77 115.26 110.32 2dhk n ASN 108 Ca -0.06 0.57 -0.37 0.00 0.87 0.00 0.00 54.58 55.58 2dhk n ASN 108 Cb 0.20 -0.60 -0.11 0.00 -1.02 0.00 0.00 39.78 38.26 2dhk n ASN 108 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2dhk n SER 109 N -1.72 0.35 -4.68 6.41 3.41 0.11 -4.86 113.62 112.64 2dhk n SER 109 Ca 0.01 0.27 -0.29 0.00 -0.26 0.00 0.00 58.87 58.60 2dhk n SER 109 Cb 0.08 -0.71 0.17 0.00 -0.26 0.00 0.00 64.21 63.49 2dhk n SER 109 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2dhk s PRO 110 N 6.22 0.60 0.65 4.33 0.04 -1.26 -5.05 135.00 140.53 2dhk s PRO 110 Ca 1.02 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2dhk s PRO 110 Cb -1.05 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 31.91 2dhk s PRO 110 CO 0.43 -2.63 0.58 -0.35 0.04 0.00 0.00 177.00 175.06 2dhk n PRO 111 N -4.12 -2.16 -1.47 0.56 -0.04 -1.26 -4.93 135.00 121.58 2dhk n PRO 111 Ca 0.06 -0.93 -0.44 0.00 -0.04 0.00 0.00 63.50 62.15 2dhk n PRO 111 Cb 0.57 -0.87 -0.01 0.00 -0.04 0.00 0.00 33.50 33.15 2dhk n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhk n ALA 112 N -3.99 -1.53 -1.01 0.55 0.00 -1.26 -4.96 120.51 108.31 2dhk n ALA 112 Ca -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 2dhk n ALA 112 Cb 0.31 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 18.00 2dhk n ALA 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dhk n PRO 113 N 0.76 -1.25 -3.64 0.00 -0.04 -1.26 -5.10 135.00 124.48 2dhk n PRO 113 Ca 0.12 -0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 2dhk n PRO 113 Cb 0.34 -0.17 -0.07 0.00 -0.04 0.00 0.00 33.50 33.56 2dhk n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dhk s SER 114 N -1.82 -0.76 0.00 3.54 0.01 -1.26 -5.12 113.70 108.29 2dhk s SER 114 Ca 0.07 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2dhk s SER 114 Cb -0.01 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.56 2dhk s SER 114 CO 0.06 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2dhk n GLY 115 N 3.29 -1.07 3.70 3.44 0.00 -1.26 -5.14 105.19 108.15 2dhk n GLY 115 Ca -0.16 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 2dhk n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhk s PRO 116 N 0.00 4.31 -0.12 1.61 0.04 -1.26 -4.92 135.00 134.66 2dhk s PRO 116 Ca 0.00 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2dhk s PRO 116 Cb 0.00 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 2dhk s PRO 116 CO 0.00 -0.49 -0.14 0.45 0.04 0.00 0.00 177.00 176.87 2dhk n SER 117 N 4.52 1.76 -3.99 6.66 2.88 -1.26 -5.01 113.62 119.17 2dhk n SER 117 Ca 0.12 0.07 -0.24 0.00 -1.33 0.00 0.00 58.87 57.48 2dhk n SER 117 Cb 0.43 -0.29 -0.17 0.00 -0.75 0.00 0.00 64.21 63.43 2dhk n SER 117 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dhk s SER 118 N -5.72 1.75 0.00 -3.46 0.01 -1.26 -5.39 113.70 99.63 2dhk s SER 118 Ca -0.17 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2dhk s SER 118 Cb 0.06 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.50 2dhk s SER 118 CO 0.24 -0.00 0.11 0.61 0.41 0.00 0.00 173.24 174.60