#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 5.85 -0.12 1.61 0.01 -1.26 -4.87 113.70 114.92 2dhk s SER 2 Ca 0.00 -1.86 -0.09 0.00 1.31 0.00 0.00 55.95 55.31 2dhk s SER 2 Cb 0.00 -2.07 -0.06 0.00 0.21 0.00 0.00 66.02 64.10 2dhk s SER 2 CO 0.00 -0.74 -0.21 -0.24 0.41 0.00 0.00 173.24 172.47 2dhk n SER 3 N 5.02 1.32 0.00 2.44 2.88 -1.26 -4.86 113.62 119.16 2dhk n SER 3 Ca -0.10 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2dhk n SER 3 Cb 0.41 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2dhk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhk n GLY 4 N 2.13 -2.58 4.33 0.46 0.00 -1.26 -4.76 105.19 103.51 2dhk n GLY 4 Ca -0.22 0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2dhk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhk n SER 5 N -0.52 -0.55 -4.42 1.61 3.41 -1.26 -4.90 113.62 106.99 2dhk n SER 5 Ca 0.00 -1.21 -0.33 0.00 -0.26 0.00 0.00 58.87 57.07 2dhk n SER 5 Cb 0.00 -1.52 -0.14 0.00 -0.26 0.00 0.00 64.21 62.29 2dhk n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dhk s SER 6 N -3.68 4.19 0.28 4.04 1.04 -1.26 -5.05 113.70 113.26 2dhk s SER 6 Ca 0.44 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2dhk s SER 6 Cb -0.26 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2dhk s SER 6 CO 0.97 0.21 0.00 0.61 0.98 0.00 0.00 173.24 176.01 2dhk n GLY 7 N 3.24 -0.27 0.85 7.32 0.00 -1.26 -4.52 105.19 110.56 2dhk n GLY 7 Ca -0.18 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.61 2dhk n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dhk n LYS 8 N -0.58 0.86 -3.99 1.61 4.81 -1.26 -5.03 118.16 114.58 2dhk n LYS 8 Ca 0.00 -2.58 -0.35 0.00 -0.87 0.00 0.00 58.31 54.51 2dhk n LYS 8 Cb 0.00 -0.94 -0.14 0.00 0.02 0.00 0.00 35.03 33.98 2dhk n LYS 8 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2dhk s LYS 9 N -1.79 3.46 -0.23 1.64 2.20 -1.26 -4.91 119.74 118.85 2dhk s LYS 9 Ca 0.33 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 2dhk s LYS 9 Cb 0.34 -3.03 0.07 0.00 -1.51 0.00 0.00 37.83 33.70 2dhk s LYS 9 CO -0.09 -0.12 0.05 -1.17 -0.36 0.00 0.00 175.35 173.66 2dhk s LEU 10 N 1.30 1.54 0.13 5.43 2.96 -1.26 -5.10 118.68 123.68 2dhk s LEU 10 Ca 0.04 -1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 52.81 2dhk s LEU 10 Cb -0.14 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 2dhk s LEU 10 CO -0.01 -0.34 0.13 0.00 -1.32 0.00 0.00 176.35 174.82 2dhk n GLY 12 N -0.11 2.26 3.70 0.00 0.00 -0.64 -5.02 105.19 105.38 2dhk n GLY 12 Ca -0.08 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 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 3.43 0.26 1.61 1.51 -1.26 -1.73 117.35 119.16 2dhk s TYR 13 Ca 0.00 0.65 0.06 0.00 -1.01 0.00 0.00 57.07 56.77 2dhk s TYR 13 Cb 0.00 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 2dhk s TYR 13 CO 0.00 0.11 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.98 2dhk s LEU 14 N 0.88 2.44 -0.45 -1.29 1.43 -0.76 -4.85 118.68 116.08 2dhk s LEU 14 Ca 0.19 -1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 51.97 2dhk s LEU 14 Cb -0.14 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.57 2dhk s LEU 14 CO 0.07 -0.35 0.36 -0.44 0.23 0.00 0.00 176.35 176.21 2dhk s SER 15 N -3.40 6.09 -0.05 2.29 0.01 -1.23 -1.37 113.70 116.05 2dhk s SER 15 Ca 0.28 -1.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.01 2dhk s SER 15 Cb 0.04 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2dhk s SER 15 CO 0.10 -0.59 1.34 -0.75 0.41 0.00 0.00 173.24 173.75 2dhk s LYS 16 N 1.63 4.29 0.32 12.44 2.47 0.55 -3.68 119.74 137.76 2dhk s LYS 16 Ca 0.04 1.84 -0.26 0.00 -1.56 0.00 0.00 55.97 56.03 2dhk s LYS 16 Cb -0.23 -3.64 -0.10 0.00 -1.46 0.00 0.00 37.83 32.41 2dhk s LYS 16 CO 0.07 -0.58 0.95 0.12 0.16 0.00 0.00 175.35 176.07 2dhk s PHE 17 N 2.67 3.69 0.24 4.03 5.36 -0.93 -1.11 117.98 131.94 2dhk s PHE 17 Ca 0.61 1.78 0.07 0.00 -0.96 0.00 0.00 56.93 58.43 2dhk s PHE 17 Cb -0.28 -2.94 0.74 0.00 -0.34 0.00 0.00 43.02 40.20 2dhk s PHE 17 CO 0.23 0.18 1.14 0.41 -1.46 0.00 0.00 175.22 175.72 2dhk n GLY 18 N 0.60 -0.80 7.00 13.12 0.00 0.11 -4.71 105.19 120.51 2dhk n GLY 18 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.29 3.18 3.58 -0.02 0.00 -1.26 -3.61 105.19 105.76 2dhk n GLY 19 Ca 0.22 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2dhk n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhk s LYS 20 N 0.00 3.04 0.34 1.61 1.02 -1.26 -4.85 119.74 119.64 2dhk s LYS 20 Ca 0.00 -1.36 -0.14 0.00 0.02 0.00 0.00 55.97 54.49 2dhk s LYS 20 Cb 0.00 -5.33 0.03 0.00 -0.52 0.00 0.00 37.83 32.01 2dhk s LYS 20 CO 0.00 -3.28 0.68 0.20 -0.92 0.00 0.00 175.35 172.04 2dhk s GLY 21 N 5.80 0.49 0.05 -3.33 0.00 -1.24 -5.07 107.32 104.03 2dhk s GLY 21 Ca 0.63 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 2dhk s GLY 21 CO 0.09 -0.42 1.36 -0.56 0.00 0.00 0.00 173.10 173.57 2dhk h PRO 22 N 2.05 0.42 -6.19 2.90 0.13 -1.91 -3.46 132.00 125.94 2dhk h PRO 22 Ca -0.28 -0.22 -0.49 0.00 -0.87 0.00 0.00 66.00 64.14 2dhk h PRO 22 Cb 1.25 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2dhk h PRO 22 CO 0.36 0.79 -0.40 0.96 -0.23 0.00 0.00 178.00 179.47 2dhk s ILE 23 N -4.32 2.99 -0.13 -3.56 -0.00 -1.26 -5.13 121.20 109.79 2dhk s ILE 23 Ca -0.14 -1.34 0.03 0.00 -0.00 0.00 0.00 60.65 59.20 2dhk s ILE 23 Cb 0.06 -3.07 0.01 0.00 -0.00 0.00 0.00 42.46 39.46 2dhk s ILE 23 CO 0.77 -0.06 -0.21 -0.13 -0.00 0.00 0.00 174.94 175.30 2dhk s ARG 24 N -4.09 2.88 0.00 0.37 0.52 -1.26 -4.70 118.95 112.67 2dhk s ARG 24 Ca 0.46 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 2dhk s ARG 24 Cb -0.04 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2dhk s ARG 24 CO 0.28 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 176.00 2dhk n GLY 25 N 4.04 0.92 3.86 -3.53 0.00 -1.26 -4.93 105.19 104.30 2dhk n GLY 25 Ca -0.20 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 2dhk n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhk s TRP 26 N -2.00 3.46 -0.11 1.61 0.52 -1.26 0.06 118.94 121.22 2dhk s TRP 26 Ca 0.00 1.17 -0.06 0.00 0.02 0.00 0.00 56.10 57.23 2dhk s TRP 26 Cb 0.00 -2.54 0.05 0.00 -1.15 0.00 0.00 33.47 29.83 2dhk s TRP 26 CO 0.00 -0.17 0.26 0.15 0.02 0.00 0.00 176.95 177.22 2dhk s LYS 27 N -3.86 0.22 -0.10 4.98 1.02 -0.26 -4.93 119.74 116.81 2dhk s LYS 27 Ca 0.53 0.57 -0.29 0.00 0.02 0.00 0.00 55.97 56.80 2dhk s LYS 27 Cb -0.10 -0.11 -0.06 0.00 -0.52 0.00 0.00 37.83 37.05 2dhk s LYS 27 CO 0.31 -0.17 1.80 -1.12 -0.92 0.00 0.00 175.35 175.24 2dhk s SER 28 N 1.36 6.38 0.08 2.83 0.01 -1.26 -0.33 113.70 122.76 2dhk s SER 28 Ca -0.09 2.14 0.02 0.00 1.31 0.00 0.00 55.95 59.33 2dhk s SER 28 Cb -0.10 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2dhk s SER 28 CO -0.09 -1.18 -0.07 -0.60 0.41 0.00 0.00 173.24 171.71 2dhk s ARG 29 N 4.62 0.72 -0.27 12.44 6.06 -0.47 -4.91 118.95 137.13 2dhk s ARG 29 Ca 0.80 -1.15 -0.11 0.00 -2.50 0.00 0.00 55.73 52.77 2dhk s ARG 29 Cb -0.33 -0.20 -0.05 0.00 0.06 0.00 0.00 34.95 34.43 2dhk s ARG 29 CO 0.33 -0.00 0.20 -0.46 -2.50 0.00 0.00 175.30 172.87 2dhk s TRP 30 N -2.95 3.23 -0.09 5.12 -0.11 0.14 -1.82 118.94 122.47 2dhk s TRP 30 Ca 0.05 0.16 0.00 0.00 1.22 0.00 0.00 56.10 57.53 2dhk s TRP 30 Cb 0.01 -2.39 -0.03 0.00 -1.50 0.00 0.00 33.47 29.56 2dhk s TRP 30 CO -0.04 -0.14 -0.08 -0.06 -4.62 0.00 0.00 176.95 172.01 2dhk s PHE 31 N 1.71 2.91 -0.17 5.86 0.40 -0.71 0.29 117.98 128.27 2dhk s PHE 31 Ca 0.08 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.17 2dhk s PHE 31 Cb -0.16 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.67 2dhk s PHE 31 CO 0.10 0.19 0.42 -0.59 0.70 0.00 0.00 175.22 176.04 2dhk s PHE 32 N -0.46 -0.59 0.17 0.36 -0.12 0.11 -1.62 117.98 115.83 2dhk s PHE 32 Ca 0.07 1.29 -0.21 0.00 -0.05 0.00 0.00 56.93 58.02 2dhk s PHE 32 Cb -0.12 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.45 2dhk s PHE 32 CO 0.02 -0.32 0.70 -0.47 -0.05 0.00 0.00 175.22 175.10 2dhk s TYR 33 N 1.16 3.78 -0.16 3.49 6.14 -0.83 -0.97 117.35 129.96 2dhk s TYR 33 Ca -0.08 1.44 -0.06 0.00 0.64 0.00 0.00 57.07 59.01 2dhk s TYR 33 Cb -0.07 -2.64 -0.04 0.00 0.42 0.00 0.00 41.96 39.63 2dhk s TYR 33 CO -0.10 0.46 0.06 0.34 0.64 0.00 0.00 175.55 176.95 2dhk s ASP 34 N -1.35 5.61 -0.23 4.32 -1.08 0.01 -4.74 116.67 119.21 2dhk s ASP 34 Ca 0.37 0.12 0.10 0.00 -0.52 0.00 0.00 52.55 52.61 2dhk s ASP 34 Cb -0.20 -1.90 0.65 0.00 -1.46 0.00 0.00 42.92 40.01 2dhk s ASP 34 CO 0.22 0.22 1.57 -1.84 0.52 0.00 0.00 175.17 175.87 2dhk n GLU 35 N 3.20 3.78 -0.08 4.34 0.28 -1.26 -2.85 120.64 128.05 2dhk n GLU 35 Ca -0.17 -2.56 -0.16 0.00 -0.16 0.00 0.00 57.16 54.10 2dhk n GLU 35 Cb 0.53 -2.10 -0.06 0.00 1.43 0.00 0.00 31.44 31.23 2dhk n GLU 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dhk n ARG 36 N 0.25 0.37 -0.04 3.44 1.74 -1.26 -4.70 116.66 116.46 2dhk n ARG 36 Ca 0.28 0.14 0.05 0.00 -0.77 0.00 0.00 57.85 57.55 2dhk n ARG 36 Cb 1.12 -1.16 0.07 0.00 -1.02 0.00 0.00 32.46 31.47 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 -3.55 1.06 -3.43 5.56 5.02 -1.26 -5.00 118.16 116.56 2dhk n LYS 37 Ca -0.32 -1.35 -0.18 0.00 -2.02 0.00 0.00 58.31 54.45 2dhk n LYS 37 Cb 0.75 -1.21 0.08 0.00 -0.02 0.00 0.00 35.03 34.62 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 -5.21 1.41 -0.39 0.00 -0.21 -1.20 -4.29 119.66 109.78 2dhk s GLN 39 Ca 0.13 -1.77 -0.05 0.00 0.02 0.00 0.00 55.36 53.69 2dhk s GLN 39 Cb -0.02 -0.01 0.08 0.00 1.00 0.00 0.00 33.01 34.06 2dhk s GLN 39 CO 0.75 -0.39 0.18 -1.17 -2.12 0.00 0.00 175.29 172.54 2dhk s LEU 40 N -3.28 4.88 -0.12 2.90 2.96 -0.70 -0.81 118.68 124.51 2dhk s LEU 40 Ca 0.38 -1.63 -0.07 0.00 -0.22 0.00 0.00 54.13 52.60 2dhk s LEU 40 Cb 0.07 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2dhk s LEU 40 CO 0.15 -0.47 0.13 -0.31 -1.32 0.00 0.00 176.35 174.52 2dhk s TYR 41 N 1.28 3.55 -0.00 5.38 1.51 -0.14 -1.37 117.35 127.55 2dhk s TYR 41 Ca 0.03 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.56 2dhk s TYR 41 Cb -0.22 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 2dhk s TYR 41 CO -0.01 0.69 0.03 1.52 -1.11 0.00 0.00 175.55 176.67 2dhk s TYR 42 N -0.96 0.04 0.23 2.71 -0.85 -0.91 0.07 117.35 117.70 2dhk s TYR 42 Ca 0.14 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.62 2dhk s TYR 42 Cb -0.12 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.13 2dhk s TYR 42 CO 0.04 -0.08 0.11 0.45 -1.52 0.00 0.00 175.55 174.55 2dhk s SER 43 N -0.44 0.74 0.37 -0.18 0.15 0.14 -1.74 113.70 112.73 2dhk s SER 43 Ca -0.05 -1.39 0.10 0.00 0.70 0.00 0.00 55.95 55.31 2dhk s SER 43 Cb -0.03 0.26 0.87 0.00 -1.71 0.00 0.00 66.02 65.41 2dhk s SER 43 CO -0.00 -0.78 1.86 0.08 1.20 0.00 0.00 173.24 175.60 2dhk h ARG 44 N 2.48 0.62 -3.71 5.44 0.11 -1.92 0.40 114.38 117.80 2dhk h ARG 44 Ca -0.37 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.60 2dhk h ARG 44 Cb 1.25 -0.14 -0.11 0.00 1.11 0.00 0.00 29.97 32.08 2dhk h ARG 44 CO 0.57 0.41 -0.20 0.95 0.10 0.00 0.00 179.97 181.80 2dhk s THR 45 N -5.64 0.04 0.04 0.08 -4.23 -1.26 -3.98 115.64 100.70 2dhk s THR 45 Ca -0.10 -1.24 0.22 0.00 -1.18 0.00 0.00 61.69 59.39 2dhk s THR 45 Cb 0.22 -1.84 0.20 0.00 1.34 0.00 0.00 72.50 72.42 2dhk s THR 45 CO 0.79 -0.20 1.73 0.00 -0.54 0.00 0.00 174.62 176.39 2dhk h ALA 46 N 2.41 0.94 0.00 3.99 0.00 -1.93 -2.84 119.26 121.84 2dhk h ALA 46 Ca -0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2dhk h ALA 46 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2dhk h ALA 46 CO 0.43 0.35 0.00 1.04 0.00 0.00 0.00 179.25 181.07 2dhk n GLN 47 N -3.35 0.08 -2.64 0.00 1.13 -1.26 -4.66 117.38 106.68 2dhk n GLN 47 Ca 0.01 0.21 -0.43 0.00 -1.94 0.00 0.00 57.00 54.85 2dhk n GLN 47 Cb 0.50 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.33 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 -2.83 7.08 0.47 1.08 -1.08 -1.07 -4.91 116.67 115.41 2dhk s ASP 48 Ca 0.10 1.38 0.27 0.00 -0.52 0.00 0.00 52.55 53.78 2dhk s ASP 48 Cb 0.09 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.84 2dhk s ASP 48 CO 0.24 -0.69 1.78 0.00 0.52 0.00 0.00 175.17 177.03 2dhk h ALA 49 N 7.53 0.98 -3.14 3.66 0.00 -1.90 -3.42 119.26 122.97 2dhk h ALA 49 Ca -0.20 -0.08 -0.67 0.00 0.00 0.00 0.00 54.91 53.97 2dhk h ALA 49 Cb 1.06 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.51 2dhk h ALA 49 CO 0.98 0.11 -0.83 -0.80 0.00 0.00 0.00 179.25 178.70 2dhk s ASN 50 N -6.03 3.40 0.22 0.00 0.01 -1.26 -5.11 114.94 106.17 2dhk s ASN 50 Ca 0.03 -0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 2dhk s ASN 50 Cb 0.08 -1.52 -0.09 0.00 0.41 0.00 0.00 41.25 40.13 2dhk s ASN 50 CO 0.62 0.05 1.29 -2.16 -1.51 0.00 0.00 177.10 175.39 2dhk s PRO 51 N 1.00 4.40 0.11 -0.60 0.04 -1.26 -4.90 135.00 133.80 2dhk s PRO 51 Ca -0.02 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.86 2dhk s PRO 51 Cb -0.15 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2dhk s PRO 51 CO -0.05 -0.21 1.74 -0.07 0.04 0.00 0.00 177.00 178.45 2dhk h LEU 52 N 5.08 0.02 -8.25 -3.56 3.38 -1.71 -3.47 115.31 106.81 2dhk h LEU 52 Ca -0.45 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 2dhk h LEU 52 Cb 1.22 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 2dhk h LEU 52 CO 0.75 0.03 -0.13 -0.62 0.09 0.00 0.00 178.44 178.57 2dhk s ASP 53 N -5.25 -0.07 0.04 -0.43 2.15 -1.14 -5.04 116.67 106.94 2dhk s ASP 53 Ca -0.13 -0.95 -0.00 0.00 0.43 0.00 0.00 52.55 51.89 2dhk s ASP 53 Cb 0.08 0.59 -0.03 0.00 -0.30 0.00 0.00 42.92 43.25 2dhk s ASP 53 CO 0.68 -1.14 -0.03 -0.94 -0.17 0.00 0.00 175.17 173.56 2dhk s SER 54 N -3.03 0.45 -0.07 -0.34 1.04 -1.26 -2.13 113.70 108.37 2dhk s SER 54 Ca 0.23 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.86 2dhk s SER 54 Cb -0.01 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2dhk s SER 54 CO 0.09 -0.48 -0.08 -0.63 0.98 0.00 0.00 173.24 173.13 2dhk s ILE 55 N -2.96 0.88 -0.60 -1.02 1.09 -0.47 -4.95 121.20 113.17 2dhk s ILE 55 Ca -0.01 -0.30 -0.27 0.00 -1.10 0.00 0.00 60.65 58.97 2dhk s ILE 55 Cb 0.01 -0.86 0.00 0.00 -1.06 0.00 0.00 42.46 40.55 2dhk s ILE 55 CO -0.06 0.31 1.57 -0.62 -0.10 0.00 0.00 174.94 176.04 2dhk s ASP 56 N 1.00 5.81 0.39 3.58 2.15 -1.26 -1.72 116.67 126.62 2dhk s ASP 56 Ca -0.09 0.23 0.26 0.00 0.43 0.00 0.00 52.55 53.38 2dhk s ASP 56 Cb -0.15 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.72 2dhk s ASP 56 CO 0.00 -1.97 1.75 -0.07 -0.17 0.00 0.00 175.17 174.71 2dhk h LEU 57 N 14.31 0.00 -1.78 -1.34 3.38 -1.93 -3.19 115.31 124.76 2dhk h LEU 57 Ca -0.27 0.00 0.28 0.00 0.09 0.00 0.00 57.88 57.98 2dhk h LEU 57 Cb 1.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2dhk h LEU 57 CO 1.20 0.00 0.71 0.28 0.09 0.00 0.00 178.44 180.73 2dhk h SER 58 N 0.00 0.16 0.00 -0.43 0.02 -1.88 -1.16 113.55 110.26 2dhk h SER 58 Ca 0.00 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2dhk h SER 58 Cb 0.74 -0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.05 2dhk h SER 58 CO 0.00 0.04 -0.81 -1.20 -1.14 0.00 0.00 176.83 173.72 2dhk n SER 59 N -4.36 1.29 -4.69 3.07 7.64 -1.22 -4.97 113.62 110.38 2dhk n SER 59 Ca 0.23 -2.79 -0.35 0.00 1.01 0.00 0.00 58.87 56.97 2dhk n SER 59 Cb 1.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.34 3.37 -0.23 -0.43 0.00 -0.44 -4.47 121.76 118.21 2dhk s ALA 60 Ca 0.36 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2dhk s ALA 60 Cb 0.38 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2dhk s ALA 60 CO -0.13 0.51 -0.05 0.54 0.00 0.00 0.00 175.76 176.64 2dhk s VAL 61 N -0.66 3.16 0.00 0.00 0.11 0.13 -4.93 120.40 118.22 2dhk s VAL 61 Ca 0.11 -0.72 -0.24 0.00 -2.93 0.00 0.00 61.98 58.19 2dhk s VAL 61 Cb -0.12 -2.51 -0.05 0.00 -1.53 0.00 0.00 36.38 32.18 2dhk s VAL 61 CO 0.02 0.32 0.74 -0.36 -3.33 0.00 0.00 175.10 172.50 2dhk s PHE 62 N 1.42 3.68 0.29 1.54 0.08 -1.26 -0.17 117.98 123.55 2dhk s PHE 62 Ca 0.04 1.39 0.03 0.00 0.12 0.00 0.00 56.93 58.50 2dhk s PHE 62 Cb -0.15 -2.81 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 2dhk s PHE 62 CO -0.04 0.21 0.07 0.34 -0.10 0.00 0.00 175.22 175.69 2dhk s ASP 63 N 0.26 1.85 -0.03 1.36 2.15 0.12 -4.96 116.67 117.43 2dhk s ASP 63 Ca 0.38 -1.36 0.04 0.00 0.43 0.00 0.00 52.55 52.04 2dhk s ASP 63 Cb -0.19 0.02 -0.03 0.00 -0.30 0.00 0.00 42.92 42.42 2dhk s ASP 63 CO 0.21 -0.64 -0.12 0.00 -0.17 0.00 0.00 175.17 174.45 2dhk s LYS 65 N -1.02 -0.69 0.23 0.00 -0.14 -0.86 -4.90 119.74 112.36 2dhk s LYS 65 Ca 0.13 -0.29 0.08 0.00 -1.36 0.00 0.00 55.97 54.54 2dhk s LYS 65 Cb -0.11 -1.68 0.19 0.00 -1.68 0.00 0.00 37.83 34.56 2dhk s LYS 65 CO 0.03 -3.32 1.51 0.00 -0.76 0.00 0.00 175.35 172.82 2dhk h ALA 66 N -2.29 0.79 -0.93 5.17 0.00 -2.00 -3.15 119.26 116.84 2dhk h ALA 66 Ca -0.44 -0.64 -0.57 0.00 0.00 0.00 0.00 54.91 53.25 2dhk h ALA 66 Cb 1.26 -0.11 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 2dhk h ALA 66 CO 0.32 0.87 0.74 -0.25 0.00 0.00 0.00 179.25 180.93 2dhk n ASP 67 N -3.71 6.00 0.10 0.00 8.00 -1.26 -4.62 116.55 121.06 2dhk n ASP 67 Ca -0.01 -3.62 0.20 0.00 0.71 0.00 0.00 54.79 52.07 2dhk n ASP 67 Cb 0.70 -0.92 0.73 0.00 -0.02 0.00 0.00 41.12 41.61 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 1.58 2.07 -1.25 2.24 0.00 -1.80 -1.31 119.26 120.80 2dhk h ALA 68 Ca 0.58 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.84 2dhk h ALA 68 Cb 1.61 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 2dhk h ALA 68 CO 1.31 -0.69 1.07 1.05 0.00 0.00 0.00 179.25 181.99 2dhk h GLU 69 N 0.00 0.00 0.05 0.00 -0.00 -1.90 0.85 114.58 113.58 2dhk h GLU 69 Ca 0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.21 2dhk h GLU 69 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.88 2dhk h GLU 69 CO -0.00 0.00 -1.95 -1.91 -0.00 0.00 0.00 179.01 175.15 2dhk n GLU 70 N -3.75 0.69 0.00 1.06 2.13 -0.49 -4.51 120.64 115.77 2dhk n GLU 70 Ca 0.27 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2dhk n GLU 70 Cb 1.46 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 31.46 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 1.81 0.42 3.25 8.31 0.00 0.30 -3.22 105.19 116.06 2dhk n GLY 71 Ca -0.27 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.13 1.82 0.35 -0.61 1.09 -1.26 -0.02 121.20 122.44 2dhk s ILE 72 Ca 0.00 -0.98 0.06 0.00 -1.10 0.00 0.00 60.65 58.63 2dhk s ILE 72 Cb 0.00 -1.51 -0.03 0.00 -1.06 0.00 0.00 42.46 39.86 2dhk s ILE 72 CO 0.00 0.51 0.23 0.72 -0.10 0.00 0.00 174.94 176.31 2dhk s PHE 73 N -0.48 1.74 -0.17 3.97 -0.71 -0.66 -2.04 117.98 119.62 2dhk s PHE 73 Ca 0.07 -1.55 -0.10 0.00 -1.04 0.00 0.00 56.93 54.31 2dhk s PHE 73 Cb -0.09 -0.83 0.06 0.00 -1.21 0.00 0.00 43.02 40.94 2dhk s PHE 73 CO -0.00 -0.71 0.42 -1.21 -1.34 0.00 0.00 175.22 172.38 2dhk s GLU 74 N -3.55 0.41 -0.42 1.99 2.02 0.83 -2.84 118.70 117.14 2dhk s GLU 74 Ca 0.36 0.80 -0.16 0.00 0.02 0.00 0.00 54.97 55.99 2dhk s GLU 74 Cb 0.02 -0.00 0.03 0.00 0.10 0.00 0.00 34.13 34.28 2dhk s GLU 74 CO 0.23 -0.15 0.36 0.42 0.02 0.00 0.00 175.26 176.15 2dhk s ILE 75 N 1.35 5.19 -0.26 -1.63 1.01 -0.30 0.16 121.20 126.73 2dhk s ILE 75 Ca -0.09 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 2dhk s ILE 75 Cb -0.08 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2dhk s ILE 75 CO -0.12 -0.40 0.72 -0.54 0.00 0.00 0.00 174.94 174.60 2dhk s LYS 76 N 1.84 4.11 0.12 2.79 1.02 0.76 -1.20 119.74 129.19 2dhk s LYS 76 Ca 0.07 0.69 0.06 0.00 0.02 0.00 0.00 55.97 56.81 2dhk s LYS 76 Cb -0.19 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2dhk s LYS 76 CO 0.11 -0.48 -0.13 0.95 -0.92 0.00 0.00 175.35 174.87 2dhk s THR 77 N 2.68 1.28 -2.00 2.17 -4.23 -1.26 -0.70 115.64 113.58 2dhk s THR 77 Ca 0.30 -1.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 2dhk s THR 77 Cb -0.15 -1.53 0.27 0.00 1.34 0.00 0.00 72.50 72.43 2dhk s THR 77 CO 0.09 -0.45 1.01 -0.81 -0.54 0.00 0.00 174.62 173.91 2dhk n PRO 78 N 0.48 0.49 -0.04 3.99 -0.04 -1.26 -3.18 135.00 135.43 2dhk n PRO 78 Ca -0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 2dhk n PRO 78 Cb 0.57 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 2dhk n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dhk n SER 79 N -0.81 0.75 -3.55 3.54 7.64 -1.26 -5.07 113.62 114.86 2dhk n SER 79 Ca 0.07 0.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 2dhk n SER 79 Cb 0.03 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 2dhk n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhk s ARG 80 N -2.16 0.42 -0.39 1.43 1.70 -1.19 -5.12 118.95 113.64 2dhk s ARG 80 Ca -0.12 0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 55.76 2dhk s ARG 80 Cb 0.05 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 2dhk s ARG 80 CO 0.15 -0.12 1.45 0.08 -1.08 0.00 0.00 175.30 175.78 2dhk s VAL 81 N 2.10 3.88 0.34 4.99 1.01 -1.26 -4.12 120.40 127.33 2dhk s VAL 81 Ca -0.06 0.91 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 2dhk s VAL 81 Cb -0.06 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2dhk s VAL 81 CO -0.17 -0.68 0.61 -0.63 0.00 0.00 0.00 175.10 174.23 2dhk s ILE 82 N 5.46 4.99 -0.26 2.22 -1.09 -0.34 -4.93 121.20 127.25 2dhk s ILE 82 Ca 0.63 0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 59.11 2dhk s ILE 82 Cb -0.15 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 37.04 2dhk s ILE 82 CO 0.32 -0.45 0.06 -0.89 -1.23 0.00 0.00 174.94 172.75 2dhk s THR 83 N -2.23 0.84 0.13 2.92 2.01 -1.26 -1.15 115.64 116.89 2dhk s THR 83 Ca 0.45 -1.10 0.10 0.00 0.31 0.00 0.00 61.69 61.45 2dhk s THR 83 Cb -0.10 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2dhk s THR 83 CO 0.33 -0.45 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.81 2dhk s LEU 84 N 1.67 2.34 0.16 4.42 1.43 -1.13 -2.18 118.68 125.39 2dhk s LEU 84 Ca 0.04 -0.75 0.09 0.00 -1.03 0.00 0.00 54.13 52.48 2dhk s LEU 84 Cb -0.17 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2dhk s LEU 84 CO -0.17 0.11 -0.20 -1.59 0.23 0.00 0.00 176.35 174.73 2dhk s LYS 85 N -2.13 1.30 0.57 1.70 -2.85 -1.24 -1.66 119.74 115.43 2dhk s LYS 85 Ca 0.12 -1.39 0.07 0.00 -1.00 0.00 0.00 55.97 53.77 2dhk s LYS 85 Cb -0.09 -1.45 0.06 0.00 -2.06 0.00 0.00 37.83 34.29 2dhk s LYS 85 CO 0.06 0.31 0.55 0.00 0.10 0.00 0.00 175.35 176.37 2dhk s ALA 86 N -1.81 4.59 0.01 0.59 0.00 0.97 -3.50 121.76 122.61 2dhk s ALA 86 Ca 0.15 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 2dhk s ALA 86 Cb -0.07 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2dhk s ALA 86 CO 0.07 -0.63 0.99 0.00 0.00 0.00 0.00 175.76 176.19 2dhk h ALA 87 N 0.50 -0.95 -0.29 0.00 0.00 -1.88 -3.44 119.26 113.20 2dhk h ALA 87 Ca -0.34 -0.07 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 2dhk h ALA 87 Cb 1.30 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 2dhk h ALA 87 CO 0.51 -0.92 -0.50 0.95 0.00 0.00 0.00 179.25 179.29 2dhk s THR 88 N -3.42 0.95 0.27 0.00 -4.23 -1.26 -4.76 115.64 103.20 2dhk s THR 88 Ca -0.04 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2dhk s THR 88 Cb 0.00 -2.04 0.26 0.00 1.34 0.00 0.00 72.50 72.06 2dhk s THR 88 CO 0.13 0.00 1.95 0.50 -0.54 0.00 0.00 174.62 176.66 2dhk h LYS 89 N 1.32 1.20 0.00 3.99 1.63 -1.78 -1.19 116.57 121.74 2dhk h LYS 89 Ca -0.43 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.26 2dhk h LYS 89 Cb 1.32 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2dhk h LYS 89 CO 0.71 0.80 -0.16 0.37 -3.45 0.00 0.00 179.45 177.72 2dhk h GLN 90 N 1.24 0.00 0.44 1.90 4.15 -1.94 -3.10 115.11 117.79 2dhk h GLN 90 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 2dhk h GLN 90 Cb -0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.56 2dhk h GLN 90 CO -0.07 0.16 -0.21 0.00 -1.93 0.00 0.00 178.83 176.78 2dhk h ALA 91 N 1.84 -0.96 -0.45 3.38 0.00 -1.60 -3.01 119.26 118.46 2dhk h ALA 91 Ca -0.00 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2dhk h ALA 91 Cb 0.78 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2dhk h ALA 91 CO 0.02 -0.92 -0.01 0.00 0.00 0.00 0.00 179.25 178.35 2dhk h MET 92 N -0.70 0.10 -1.11 0.00 -0.00 -1.62 -0.59 114.93 111.01 2dhk h MET 92 Ca -0.06 -0.01 0.36 0.00 -0.00 0.00 0.00 59.70 60.00 2dhk h MET 92 Cb 0.45 -0.02 -0.14 0.00 -0.00 0.00 0.00 31.60 31.89 2dhk h MET 92 CO 0.10 0.07 0.67 -0.07 -0.00 0.00 0.00 176.91 177.68 2dhk h LEU 93 N 0.11 0.40 -0.22 -0.10 3.38 -1.59 0.55 115.31 117.83 2dhk h LEU 93 Ca 0.23 0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 2dhk h LEU 93 Cb 0.33 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2dhk h LEU 93 CO -0.38 -0.16 -0.15 0.22 0.09 0.00 0.00 178.44 178.06 2dhk h TYR 94 N 0.22 0.56 0.15 1.13 3.20 -0.96 -1.88 116.97 119.39 2dhk h TYR 94 Ca 0.76 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 62.47 2dhk h TYR 94 Cb 2.02 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.16 2dhk h TYR 94 CO -0.01 0.79 -0.07 -1.49 -1.64 0.00 0.00 178.16 175.74 2dhk h TRP 95 N 0.18 -0.19 -0.47 -3.82 4.06 0.13 0.11 115.95 115.95 2dhk h TRP 95 Ca 0.04 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.05 2dhk h TRP 95 Cb 0.67 0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.83 2dhk h TRP 95 CO 0.07 0.03 0.17 -0.07 -3.56 0.00 0.00 178.44 175.08 2dhk h LEU 96 N -0.38 0.17 0.25 -4.49 3.38 -0.82 0.57 115.31 114.00 2dhk h LEU 96 Ca -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dhk h LEU 96 Cb 0.30 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dhk h LEU 96 CO 0.03 0.13 -0.12 -0.61 0.09 0.00 0.00 178.44 177.96 2dhk h GLN 97 N 0.34 -0.33 0.62 1.13 5.75 -1.26 -2.99 115.11 118.38 2dhk h GLN 97 Ca 0.22 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.72 2dhk h GLN 97 Cb 0.23 0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.86 2dhk h GLN 97 CO -0.23 -0.07 -0.30 1.96 -2.65 0.00 0.00 178.83 177.54 2dhk h GLN 98 N -0.55 -0.80 -0.72 1.69 1.08 -0.51 -2.82 115.11 112.48 2dhk h GLN 98 Ca -0.03 0.05 0.30 0.00 -1.45 0.00 0.00 58.65 57.52 2dhk h GLN 98 Cb 0.40 0.18 -0.13 0.00 -0.05 0.00 0.00 27.48 27.89 2dhk h GLN 98 CO 0.06 -0.54 0.37 1.28 -0.95 0.00 0.00 178.83 179.05 2dhk n LEU 99 N -4.29 0.23 -0.02 1.46 4.77 0.20 0.22 117.00 119.57 2dhk n LEU 99 Ca -0.10 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.95 2dhk n LEU 99 Cb 0.33 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2dhk n LEU 99 CO 0.25 -1.33 0.80 1.56 -1.33 0.00 0.00 177.39 177.34 2dhk h GLN 100 N 0.00 0.15 -0.97 3.23 4.20 -1.34 -3.04 115.11 117.33 2dhk h GLN 100 Ca 0.60 -0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.50 2dhk h GLN 100 Cb 1.57 -0.02 -0.18 0.00 0.30 0.00 0.00 27.48 29.15 2dhk h GLN 100 CO -0.56 0.31 -0.14 0.52 -0.67 0.00 0.00 178.83 178.29 2dhk h MET 101 N -0.03 0.00 0.58 1.46 2.86 0.28 0.82 114.93 120.90 2dhk h MET 101 Ca 0.03 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2dhk h MET 101 Cb 0.22 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2dhk h MET 101 CO -0.00 0.00 -0.43 0.87 1.06 0.00 0.00 176.91 178.41 2dhk h LYS 102 N 0.00 -0.94 0.60 1.72 1.79 -1.45 -0.25 116.57 118.04 2dhk h LYS 102 Ca 0.51 0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 59.02 2dhk h LYS 102 Cb 0.89 0.21 0.01 0.00 -1.58 0.00 0.00 32.23 31.76 2dhk h LYS 102 CO -0.97 -0.62 -0.29 -0.09 -1.08 0.00 0.00 179.45 176.40 2dhk h ARG 103 N -0.97 -0.77 -0.95 3.15 2.43 -1.04 -2.87 114.38 113.35 2dhk h ARG 103 Ca -0.08 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.36 2dhk h ARG 103 Cb 0.80 0.18 -0.18 0.00 -0.42 0.00 0.00 29.97 30.35 2dhk h ARG 103 CO 0.02 -0.51 -0.16 1.87 -1.51 0.00 0.00 179.97 179.68 2dhk n TRP 104 N -4.24 0.42 -0.05 2.20 -0.00 0.27 0.27 117.44 116.31 2dhk n TRP 104 Ca -0.10 1.16 -0.08 0.00 -0.00 0.00 0.00 57.50 58.48 2dhk n TRP 104 Cb 0.32 -1.10 -0.02 0.00 -0.00 0.00 0.00 31.31 30.51 2dhk n TRP 104 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 2dhk h GLU 105 N 0.00 -0.23 -0.56 5.87 5.08 -0.94 -0.77 114.58 123.03 2dhk h GLU 105 Ca 0.49 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.98 2dhk h GLU 105 Cb 0.84 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 2dhk h GLU 105 CO -0.95 -0.15 -0.01 0.35 -1.00 0.00 0.00 179.01 177.24 2dhk h PHE 106 N -0.24 -0.05 0.07 4.33 3.57 0.04 -1.77 116.94 122.90 2dhk h PHE 106 Ca 0.14 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.69 2dhk h PHE 106 Cb 0.46 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2dhk h PHE 106 CO -0.40 -0.14 -0.11 0.45 -2.23 0.00 0.00 178.31 175.88 2dhk h HIS 107 N 0.11 -0.28 -0.86 0.41 3.86 -0.83 -2.57 115.15 114.99 2dhk h HIS 107 Ca 0.28 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.72 2dhk h HIS 107 Cb 0.44 0.12 -0.14 0.00 1.06 0.00 0.00 27.41 28.89 2dhk h HIS 107 CO -0.35 -0.17 0.16 -0.91 0.86 0.00 0.00 177.93 177.52 2dhk h ASN 108 N -0.23 -0.14 -1.46 2.45 -0.26 -0.31 -3.42 115.58 112.22 2dhk h ASN 108 Ca 0.02 0.21 -0.57 0.00 -0.56 0.00 0.00 56.30 55.40 2dhk h ASN 108 Cb 0.24 0.31 0.14 0.00 -1.06 0.00 0.00 38.32 37.95 2dhk h ASN 108 CO -0.06 -0.18 -0.82 -1.54 -1.06 0.00 0.00 177.43 173.76 2dhk n SER 109 N -5.28 -2.46 -4.68 5.81 3.41 -0.95 -4.80 113.62 104.68 2dhk n SER 109 Ca 0.20 0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 59.15 2dhk n SER 109 Cb 0.64 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.90 4.24 0.53 4.33 0.04 -1.26 -5.02 135.00 136.95 2dhk s PRO 110 Ca 0.54 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 63.51 2dhk s PRO 110 Cb -0.60 -3.72 0.13 0.00 0.04 0.00 0.00 34.50 30.34 2dhk s PRO 110 CO 0.56 -0.69 0.47 -0.35 0.04 0.00 0.00 177.00 177.03 2dhk n PRO 111 N 6.09 -1.93 -0.63 0.56 -0.04 -1.26 -5.00 135.00 132.78 2dhk n PRO 111 Ca 0.15 -0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 62.55 2dhk n PRO 111 Cb 0.43 -0.70 0.19 0.00 -0.04 0.00 0.00 33.50 33.38 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 -3.80 -1.93 -2.05 0.55 0.00 -1.26 -4.82 120.51 107.19 2dhk n ALA 112 Ca -0.09 -0.80 -0.27 0.00 0.00 0.00 0.00 53.44 52.28 2dhk n ALA 112 Cb 0.25 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 2dhk n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dhk s PRO 113 N -4.33 2.55 -0.21 0.00 0.04 -1.26 -4.83 135.00 126.95 2dhk s PRO 113 Ca 0.65 -0.48 -0.32 0.00 0.04 0.00 0.00 61.00 60.89 2dhk s PRO 113 Cb -0.23 -5.10 0.15 0.00 0.04 0.00 0.00 34.50 29.36 2dhk s PRO 113 CO 0.62 -3.50 1.21 0.45 0.04 0.00 0.00 177.00 175.82 2dhk s SER 114 N 7.69 -0.15 -0.34 6.66 0.15 -1.26 -5.14 113.70 121.31 2dhk s SER 114 Ca 0.70 0.09 -0.15 0.00 0.70 0.00 0.00 55.95 57.28 2dhk s SER 114 Cb -0.05 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2dhk s SER 114 CO 0.02 -0.20 0.37 -0.83 1.20 0.00 0.00 173.24 173.80 2dhk s GLY 115 N -1.63 1.90 1.25 9.45 0.00 -1.26 -5.06 107.32 111.98 2dhk s GLY 115 Ca 0.07 -1.17 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 2dhk s GLY 115 CO -0.05 1.01 1.12 2.56 0.00 0.00 0.00 173.10 177.74 2dhk s PRO 116 N 2.04 -1.64 -0.34 2.90 0.04 -1.26 -5.04 135.00 131.70 2dhk s PRO 116 Ca 0.12 -0.22 0.02 0.00 0.04 0.00 0.00 61.00 60.97 2dhk s PRO 116 Cb -0.16 -1.56 0.10 0.00 0.04 0.00 0.00 34.50 32.92 2dhk s PRO 116 CO 0.12 -3.96 0.08 0.45 0.04 0.00 0.00 177.00 173.73 2dhk s SER 117 N -4.02 4.48 0.72 6.66 0.15 -1.26 -5.12 113.70 115.31 2dhk s SER 117 Ca 0.72 -2.05 -0.04 0.00 0.70 0.00 0.00 55.95 55.29 2dhk s SER 117 Cb -0.07 -1.37 0.10 0.00 -1.71 0.00 0.00 66.02 62.97 2dhk s SER 117 CO 0.56 -0.38 1.00 -0.94 1.20 0.00 0.00 173.24 174.68 2dhk s SER 118 N 1.06 4.50 0.00 5.45 1.04 -1.26 -5.38 113.70 119.11 2dhk s SER 118 Ca 0.11 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2dhk s SER 118 Cb -0.19 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.38 2dhk s SER 118 CO -0.13 -1.76 0.00 0.61 0.98 0.00 0.00 173.24 172.94