#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 0.96 0.17 1.61 1.04 -1.26 -5.05 113.70 111.17 2dhk s SER 2 Ca 0.00 1.11 0.08 0.00 0.48 0.00 0.00 55.95 57.63 2dhk s SER 2 Cb 0.00 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.38 2dhk s SER 2 CO 0.00 -4.15 -0.06 -0.55 0.98 0.00 0.00 173.24 169.45 2dhk s SER 3 N -3.15 4.45 0.00 7.02 0.15 -1.26 -5.14 113.70 115.77 2dhk s SER 3 Ca 0.68 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2dhk s SER 3 Cb -0.18 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2dhk s SER 3 CO 0.60 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.75 2dhk n GLY 4 N 0.04 1.42 3.48 9.45 0.00 -1.26 -5.04 105.19 113.27 2dhk n GLY 4 Ca -0.11 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.00 6.13 -0.15 1.61 0.01 -1.26 -5.02 113.70 114.03 2dhk s SER 5 Ca 0.00 -0.75 -0.34 0.00 1.31 0.00 0.00 55.95 56.17 2dhk s SER 5 Cb 0.00 -2.18 0.13 0.00 0.21 0.00 0.00 66.02 64.19 2dhk s SER 5 CO 0.00 -0.45 1.19 -0.55 0.41 0.00 0.00 173.24 173.84 2dhk s SER 6 N 1.72 -0.14 0.68 2.44 0.15 -1.26 -5.16 113.70 112.13 2dhk s SER 6 Ca 0.07 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.54 2dhk s SER 6 Cb -0.18 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2dhk s SER 6 CO 0.11 -0.28 1.20 -0.83 1.20 0.00 0.00 173.24 174.64 2dhk s GLY 7 N -2.32 2.46 -0.59 9.45 0.00 -1.26 -4.92 107.32 110.13 2dhk s GLY 7 Ca 0.10 0.90 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 2dhk s GLY 7 CO -0.05 1.30 2.01 0.28 0.00 0.00 0.00 173.10 176.64 2dhk n LYS 8 N -2.34 2.50 -3.23 2.90 5.02 -1.26 -4.94 118.16 116.81 2dhk n LYS 8 Ca 0.13 -2.99 -0.40 0.00 -2.02 0.00 0.00 58.31 53.03 2dhk n LYS 8 Cb 0.50 -2.17 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 2dhk n LYS 8 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dhk s LYS 9 N -3.46 4.11 -0.24 1.97 2.20 -1.26 -4.86 119.74 118.20 2dhk s LYS 9 Ca 0.59 0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 56.54 2dhk s LYS 9 Cb 0.47 -3.63 0.07 0.00 -1.51 0.00 0.00 37.83 33.23 2dhk s LYS 9 CO 0.01 -0.30 0.05 -1.17 -0.36 0.00 0.00 175.35 173.58 2dhk s LEU 10 N 2.12 1.63 0.08 5.43 2.96 -1.26 -5.11 118.68 124.53 2dhk s LEU 10 Ca 0.22 -1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 52.99 2dhk s LEU 10 Cb -0.16 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 2dhk s LEU 10 CO 0.09 -0.34 -0.00 0.00 -1.32 0.00 0.00 176.35 174.78 2dhk n GLY 12 N 0.02 3.47 3.75 0.00 0.00 -0.70 -5.02 105.19 106.71 2dhk n GLY 12 Ca -0.11 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.03 2.37 0.24 1.61 2.02 -1.26 -3.14 117.35 118.16 2dhk s TYR 13 Ca 0.00 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.15 2dhk s TYR 13 Cb 0.00 -3.30 -0.00 0.00 -0.40 0.00 0.00 41.96 38.26 2dhk s TYR 13 CO 0.00 -2.08 0.46 -0.51 -1.57 0.00 0.00 175.55 171.86 2dhk s LEU 14 N -4.96 0.36 -0.17 -1.29 1.43 -1.07 -4.85 118.68 108.13 2dhk s LEU 14 Ca 0.70 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2dhk s LEU 14 Cb -0.24 1.73 0.01 0.00 0.03 0.00 0.00 46.19 47.72 2dhk s LEU 14 CO 0.43 -1.12 -0.18 -0.44 0.23 0.00 0.00 176.35 175.27 2dhk s SER 15 N -3.01 3.33 -0.29 2.29 0.01 -1.24 -3.15 113.70 111.64 2dhk s SER 15 Ca 0.22 -0.58 -0.16 0.00 1.31 0.00 0.00 55.95 56.74 2dhk s SER 15 Cb -0.00 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 2dhk s SER 15 CO 0.08 0.04 0.41 -0.75 0.41 0.00 0.00 173.24 173.43 2dhk s LYS 16 N 1.06 3.89 -0.00 12.44 2.20 -1.23 -3.22 119.74 134.88 2dhk s LYS 16 Ca -0.01 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.58 2dhk s LYS 16 Cb -0.14 -3.70 -0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2dhk s LYS 16 CO -0.06 -0.38 0.14 0.35 -0.36 0.00 0.00 175.35 175.03 2dhk h PHE 17 N 8.24 -0.01 -3.90 4.03 3.57 -1.60 -1.22 116.94 126.05 2dhk h PHE 17 Ca -0.30 -0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.90 2dhk h PHE 17 Cb 1.15 0.00 -0.27 0.00 2.79 0.00 0.00 35.95 39.63 2dhk h PHE 17 CO 0.74 -0.01 -0.74 0.20 -2.23 0.00 0.00 178.31 176.27 2dhk s GLY 18 N -1.94 0.26 0.00 2.40 0.00 -1.26 0.27 107.32 107.05 2dhk s GLY 18 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2dhk s GLY 18 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.42 2dhk n GLY 19 N 2.65 -2.06 0.00 0.20 0.00 -1.26 -4.32 105.19 100.41 2dhk n GLY 19 Ca -0.15 0.79 0.05 0.00 0.00 0.00 0.00 46.02 46.71 2dhk n GLY 19 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dhk n LYS 20 N 0.00 0.91 -4.23 1.61 2.85 -1.26 -4.79 118.16 113.24 2dhk n LYS 20 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2dhk n LYS 20 Cb 0.00 -1.17 -0.09 0.00 -0.65 0.00 0.00 35.03 33.12 2dhk n LYS 20 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dhk s GLY 21 N -1.39 1.84 0.34 2.58 0.00 -1.26 -5.01 107.32 104.42 2dhk s GLY 21 Ca 0.14 -1.14 0.27 0.00 0.00 0.00 0.00 44.72 43.99 2dhk s GLY 21 CO 0.11 -1.10 1.79 -0.56 0.00 0.00 0.00 173.10 173.35 2dhk h PRO 22 N 3.73 0.00 -5.33 2.90 0.13 -2.01 -3.45 132.00 127.98 2dhk h PRO 22 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2dhk h PRO 22 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 2dhk h PRO 22 CO 0.56 0.00 -0.56 0.96 -0.23 0.00 0.00 178.00 178.73 2dhk s ILE 23 N -3.43 1.36 0.00 -3.56 -0.00 -1.26 -5.11 121.20 109.20 2dhk s ILE 23 Ca 0.03 -2.00 0.01 0.00 -0.00 0.00 0.00 60.65 58.69 2dhk s ILE 23 Cb 0.09 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.46 39.95 2dhk s ILE 23 CO 0.43 0.00 0.03 -0.13 -0.00 0.00 0.00 174.94 175.27 2dhk s ARG 24 N -3.80 2.89 0.00 0.37 1.81 -1.26 -4.60 118.95 114.36 2dhk s ARG 24 Ca 0.23 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 2dhk s ARG 24 Cb 0.06 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 31.82 2dhk s ARG 24 CO 0.12 0.63 0.00 0.41 -0.68 0.00 0.00 175.30 175.78 2dhk n GLY 25 N 1.28 3.71 3.70 -3.53 0.00 0.14 -4.96 105.19 105.52 2dhk n GLY 25 Ca -0.14 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.48 1.85 0.32 1.61 0.52 -1.24 -3.86 118.94 117.67 2dhk s TRP 26 Ca 0.00 1.68 0.02 0.00 0.02 0.00 0.00 56.10 57.82 2dhk s TRP 26 Cb 0.00 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 2dhk s TRP 26 CO 0.00 -2.74 0.34 0.15 0.02 0.00 0.00 176.95 174.72 2dhk s LYS 27 N -4.24 1.76 -0.32 4.98 1.02 -0.46 -4.85 119.74 117.63 2dhk s LYS 27 Ca 0.71 -1.87 -0.00 0.00 0.02 0.00 0.00 55.97 54.83 2dhk s LYS 27 Cb -0.27 0.37 0.07 0.00 -0.52 0.00 0.00 37.83 37.48 2dhk s LYS 27 CO 0.51 -0.68 0.03 -1.12 -0.92 0.00 0.00 175.35 173.17 2dhk s SER 28 N -3.30 4.86 0.03 2.83 0.01 -1.26 -3.51 113.70 113.37 2dhk s SER 28 Ca 0.36 -1.61 -0.05 0.00 1.31 0.00 0.00 55.95 55.97 2dhk s SER 28 Cb 0.02 -1.69 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 2dhk s SER 28 CO 0.23 -0.33 0.08 -0.13 0.41 0.00 0.00 173.24 173.50 2dhk s ARG 29 N 1.14 0.54 -0.19 12.44 0.52 -1.19 -4.90 118.95 127.31 2dhk s ARG 29 Ca -0.00 -0.72 -0.19 0.00 -0.52 0.00 0.00 55.73 54.30 2dhk s ARG 29 Cb -0.20 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.45 2dhk s ARG 29 CO -0.04 -0.13 0.54 -0.46 0.02 0.00 0.00 175.30 175.23 2dhk s TRP 30 N -2.40 3.39 -0.07 -0.53 -0.11 0.11 -2.61 118.94 116.73 2dhk s TRP 30 Ca -0.07 0.82 0.01 0.00 1.22 0.00 0.00 56.10 58.08 2dhk s TRP 30 Cb -0.02 -2.69 -0.03 0.00 -1.50 0.00 0.00 33.47 29.23 2dhk s TRP 30 CO -0.04 -0.09 -0.08 -0.06 -4.62 0.00 0.00 176.95 172.06 2dhk s PHE 31 N 1.59 2.91 -0.09 5.86 0.40 -1.19 -0.21 117.98 127.25 2dhk s PHE 31 Ca 0.25 -0.01 -0.17 0.00 -0.60 0.00 0.00 56.93 56.41 2dhk s PHE 31 Cb -0.16 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.71 2dhk s PHE 31 CO 0.10 0.31 0.42 -0.59 0.70 0.00 0.00 175.22 176.15 2dhk s PHE 32 N -0.78 -0.38 0.17 0.36 -0.12 0.75 -1.72 117.98 116.26 2dhk s PHE 32 Ca 0.12 0.81 -0.07 0.00 -0.05 0.00 0.00 56.93 57.74 2dhk s PHE 32 Cb -0.11 0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 2dhk s PHE 32 CO 0.01 -0.34 0.44 -0.47 -0.05 0.00 0.00 175.22 174.81 2dhk s TYR 33 N -0.54 3.46 -0.16 3.49 6.14 -0.62 -0.55 117.35 128.58 2dhk s TYR 33 Ca -0.07 0.68 -0.02 0.00 0.64 0.00 0.00 57.07 58.30 2dhk s TYR 33 Cb -0.04 -2.10 -0.02 0.00 0.42 0.00 0.00 41.96 40.23 2dhk s TYR 33 CO 0.03 0.38 -0.08 0.34 0.64 0.00 0.00 175.55 176.86 2dhk s ASP 34 N -2.36 4.28 -0.20 4.32 -1.08 -0.10 -4.74 116.67 116.79 2dhk s ASP 34 Ca 0.43 -0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.24 2dhk s ASP 34 Cb -0.12 -1.69 0.54 0.00 -1.46 0.00 0.00 42.92 40.19 2dhk s ASP 34 CO 0.23 0.11 1.42 -1.84 0.52 0.00 0.00 175.17 175.61 2dhk n GLU 35 N 3.88 3.27 -0.08 4.34 0.28 -1.26 -2.69 120.64 128.38 2dhk n GLU 35 Ca -0.18 -2.13 -0.15 0.00 -0.16 0.00 0.00 57.16 54.53 2dhk n GLU 35 Cb 0.52 -1.98 -0.06 0.00 1.43 0.00 0.00 31.44 31.35 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 0.19 0.36 -0.09 3.44 1.74 -1.26 -4.70 116.66 116.34 2dhk n ARG 36 Ca 0.24 0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.49 2dhk n ARG 36 Cb 0.99 -1.15 0.09 0.00 -1.02 0.00 0.00 32.46 31.36 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 -3.48 2.33 -3.80 5.56 5.02 -1.26 -4.98 118.16 117.55 2dhk n LYS 37 Ca -0.31 -1.67 -0.28 0.00 -2.02 0.00 0.00 58.31 54.04 2dhk n LYS 37 Cb 0.75 -1.17 0.04 0.00 -0.02 0.00 0.00 35.03 34.63 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 -6.47 1.23 -0.39 0.00 -0.21 -1.20 -3.92 119.66 108.70 2dhk s GLN 39 Ca 0.59 -1.45 -0.15 0.00 0.02 0.00 0.00 55.36 54.37 2dhk s GLN 39 Cb -0.28 -1.12 0.01 0.00 1.00 0.00 0.00 33.01 32.62 2dhk s GLN 39 CO 0.80 0.20 0.34 -1.17 -2.12 0.00 0.00 175.29 173.35 2dhk s LEU 40 N -2.90 4.83 -0.01 2.90 2.96 -0.60 -0.92 118.68 124.94 2dhk s LEU 40 Ca 0.17 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2dhk s LEU 40 Cb -0.03 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2dhk s LEU 40 CO 0.06 -0.44 0.10 -0.31 -1.32 0.00 0.00 176.35 174.44 2dhk s TYR 41 N 1.88 3.33 0.00 5.38 1.51 0.29 0.23 117.35 129.97 2dhk s TYR 41 Ca 0.08 0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 56.29 2dhk s TYR 41 Cb -0.18 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2dhk s TYR 41 CO 0.11 0.57 0.16 1.52 -1.11 0.00 0.00 175.55 176.81 2dhk s TYR 42 N -1.21 0.01 0.18 2.71 -0.85 -0.91 -0.18 117.35 117.10 2dhk s TYR 42 Ca 0.23 -0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.73 2dhk s TYR 42 Cb -0.12 -0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.18 2dhk s TYR 42 CO 0.15 -0.31 0.18 -1.13 -1.52 0.00 0.00 175.55 172.92 2dhk n SER 43 N 1.40 -0.46 -0.02 -0.18 3.41 0.70 -1.11 113.62 117.36 2dhk n SER 43 Ca -0.23 -2.10 -0.02 0.00 -0.26 0.00 0.00 58.87 56.26 2dhk n SER 43 Cb 0.56 1.00 0.25 0.00 -0.26 0.00 0.00 64.21 65.75 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 0.57 -4.15 4.33 -0.00 -1.90 0.31 114.38 113.54 2dhk h ARG 44 Ca -0.13 -0.15 -0.29 0.00 -0.50 0.00 0.00 59.98 58.91 2dhk h ARG 44 Cb 0.63 -0.07 -0.08 0.00 0.00 0.00 0.00 29.97 30.45 2dhk h ARG 44 CO 0.18 0.64 -0.19 0.95 0.00 0.00 0.00 179.97 181.55 2dhk s THR 45 N -4.86 0.00 -0.34 2.04 -4.23 -1.26 -3.63 115.64 103.35 2dhk s THR 45 Ca -0.08 -1.60 0.23 0.00 -1.18 0.00 0.00 61.69 59.06 2dhk s THR 45 Cb 0.15 -2.67 0.13 0.00 1.34 0.00 0.00 72.50 71.45 2dhk s THR 45 CO 0.78 0.00 1.28 0.00 -0.54 0.00 0.00 174.62 176.14 2dhk h ALA 46 N 2.08 0.69 0.00 3.99 0.00 -1.90 -3.28 119.26 120.85 2dhk h ALA 46 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2dhk h ALA 46 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dhk h ALA 46 CO 0.38 0.00 -0.03 1.96 0.00 0.00 0.00 179.25 181.56 2dhk h GLN 47 N 0.00 0.00 -4.47 0.00 1.08 -2.00 -3.37 115.11 106.35 2dhk h GLN 47 Ca 0.00 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.50 2dhk h GLN 47 Cb 0.98 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.35 2dhk h GLN 47 CO 0.00 0.03 2.85 -0.25 -0.95 0.00 0.00 178.83 180.51 2dhk n ASP 48 N -3.11 4.19 -0.61 1.46 8.00 -1.24 -4.77 116.55 120.47 2dhk n ASP 48 Ca 0.02 -2.87 0.46 0.00 0.71 0.00 0.00 54.79 53.12 2dhk n ASP 48 Cb 0.44 -1.68 0.72 0.00 -0.02 0.00 0.00 41.12 40.58 2dhk n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhk n ALA 49 N 6.62 1.64 -2.58 2.24 0.00 -1.26 -3.74 120.51 123.42 2dhk n ALA 49 Ca 0.51 0.61 -0.43 0.00 0.00 0.00 0.00 53.44 54.12 2dhk n ALA 49 Cb 0.41 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.93 6.37 0.52 0.00 0.01 -1.26 -5.04 114.94 111.61 2dhk s ASN 50 Ca -0.05 -0.27 -0.21 0.00 -0.71 0.00 0.00 52.86 51.63 2dhk s ASN 50 Cb 0.24 -2.38 -0.06 0.00 0.41 0.00 0.00 41.25 39.46 2dhk s ASN 50 CO 0.79 -0.96 1.14 -2.16 -1.51 0.00 0.00 177.10 174.40 2dhk s PRO 51 N 3.30 3.48 -0.06 -0.60 0.04 -1.24 -4.89 135.00 135.03 2dhk s PRO 51 Ca 0.28 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 2dhk s PRO 51 Cb -0.13 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.15 2dhk s PRO 51 CO 0.20 -0.76 0.69 -0.07 0.04 0.00 0.00 177.00 177.11 2dhk h LEU 52 N 1.46 -0.21 -8.32 -3.56 3.38 -1.47 -3.48 115.31 103.10 2dhk h LEU 52 Ca -0.50 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.05 2dhk h LEU 52 Cb 1.26 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.92 2dhk h LEU 52 CO 0.58 0.34 -0.54 -0.62 0.09 0.00 0.00 178.44 178.29 2dhk s ASP 53 N -5.41 0.21 0.16 -0.43 -1.08 -1.19 -5.03 116.67 103.91 2dhk s ASP 53 Ca -0.10 -1.11 0.08 0.00 -0.52 0.00 0.00 52.55 50.90 2dhk s ASP 53 Cb 0.00 0.35 -0.04 0.00 -1.46 0.00 0.00 42.92 41.77 2dhk s ASP 53 CO 0.37 -0.79 -0.16 -0.94 0.52 0.00 0.00 175.17 174.17 2dhk s SER 54 N -3.03 2.45 -0.18 -0.34 1.04 -1.26 -2.13 113.70 110.25 2dhk s SER 54 Ca 0.22 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 2dhk s SER 54 Cb 0.06 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.11 2dhk s SER 54 CO 0.02 -0.11 -0.01 -0.63 0.98 0.00 0.00 173.24 173.49 2dhk s ILE 55 N -2.35 0.91 0.07 -1.02 1.09 0.14 -4.91 121.20 115.11 2dhk s ILE 55 Ca 0.16 -0.66 -0.31 0.00 -1.10 0.00 0.00 60.65 58.73 2dhk s ILE 55 Cb -0.04 -1.23 -0.10 0.00 -1.06 0.00 0.00 42.46 40.03 2dhk s ILE 55 CO 0.06 -0.04 1.89 -0.67 -0.10 0.00 0.00 174.94 176.07 2dhk n ASP 56 N 4.92 3.99 -0.64 3.58 2.03 -1.26 -1.55 116.55 127.62 2dhk n ASP 56 Ca -0.10 0.96 0.12 0.00 0.52 0.00 0.00 54.79 56.28 2dhk n ASP 56 Cb 0.47 -1.51 0.17 0.00 -0.72 0.00 0.00 41.12 39.53 2dhk n ASP 56 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dhk n LEU 57 N 6.39 2.18 -0.28 -2.67 4.77 -1.25 -3.96 117.00 122.16 2dhk n LEU 57 Ca 0.19 -0.74 -0.05 0.00 -0.03 0.00 0.00 56.01 55.38 2dhk n LEU 57 Cb 0.37 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2dhk n LEU 57 CO 0.68 0.38 1.10 0.28 -1.33 0.00 0.00 177.39 178.49 2dhk h SER 58 N 3.12 1.00 0.00 -1.43 0.02 -1.89 -3.09 113.55 111.28 2dhk h SER 58 Ca 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2dhk h SER 58 Cb 0.77 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2dhk h SER 58 CO 0.00 0.84 -0.44 -1.20 -1.14 0.00 0.00 176.83 174.89 2dhk n SER 59 N -4.39 1.77 -4.71 3.07 7.64 -1.26 -4.99 113.62 110.75 2dhk n SER 59 Ca 0.07 -3.73 -0.35 0.00 1.01 0.00 0.00 58.87 55.87 2dhk n SER 59 Cb 0.12 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.08 3.49 -0.24 -0.43 0.00 -1.17 -4.31 121.76 116.02 2dhk s ALA 60 Ca 0.37 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2dhk s ALA 60 Cb 0.36 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2dhk s ALA 60 CO -0.06 0.42 -0.05 0.54 0.00 0.00 0.00 175.76 176.61 2dhk s VAL 61 N -0.37 3.03 -0.29 0.00 0.11 0.02 -4.93 120.40 117.98 2dhk s VAL 61 Ca 0.09 -0.89 -0.24 0.00 -2.93 0.00 0.00 61.98 58.01 2dhk s VAL 61 Cb -0.12 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 2dhk s VAL 61 CO 0.02 0.24 0.83 -0.36 -3.33 0.00 0.00 175.10 172.50 2dhk s PHE 62 N 1.37 3.23 0.30 1.54 0.08 -1.26 -1.09 117.98 122.15 2dhk s PHE 62 Ca 0.02 0.95 0.10 0.00 0.12 0.00 0.00 56.93 58.12 2dhk s PHE 62 Cb -0.16 -3.20 -0.05 0.00 -0.57 0.00 0.00 43.02 39.04 2dhk s PHE 62 CO -0.04 -0.53 -0.09 0.34 -0.10 0.00 0.00 175.22 174.80 2dhk s ASP 63 N 1.53 3.97 -0.20 1.36 2.15 0.64 -4.93 116.67 121.19 2dhk s ASP 63 Ca 0.34 -0.95 -0.04 0.00 0.43 0.00 0.00 52.55 52.33 2dhk s ASP 63 Cb -0.14 -0.49 -0.02 0.00 -0.30 0.00 0.00 42.92 41.97 2dhk s ASP 63 CO 0.11 -0.07 -0.03 0.00 -0.17 0.00 0.00 175.17 175.01 2dhk s LYS 65 N 1.08 -1.60 0.20 0.00 1.02 -1.16 -4.90 119.74 114.39 2dhk s LYS 65 Ca 0.01 0.57 -0.07 0.00 0.02 0.00 0.00 55.97 56.51 2dhk s LYS 65 Cb -0.15 -1.50 0.12 0.00 -0.52 0.00 0.00 37.83 35.79 2dhk s LYS 65 CO 0.00 -4.10 1.64 0.00 -0.92 0.00 0.00 175.35 171.97 2dhk h ALA 66 N -2.88 0.85 -0.27 5.17 0.00 -1.99 -2.80 119.26 117.34 2dhk h ALA 66 Ca -0.57 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 53.85 2dhk h ALA 66 Cb 1.34 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2dhk h ALA 66 CO 0.44 0.65 0.20 -0.25 0.00 0.00 0.00 179.25 180.29 2dhk n ASP 67 N -4.15 4.29 0.33 0.00 8.00 -1.26 -4.37 116.55 119.38 2dhk n ASP 67 Ca 0.02 -2.57 0.20 0.00 0.71 0.00 0.00 54.79 53.15 2dhk n ASP 67 Cb 0.39 -0.79 1.12 0.00 -0.02 0.00 0.00 41.12 41.82 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 1.55 1.18 -0.34 2.24 0.00 -1.75 -2.52 119.26 119.62 2dhk h ALA 68 Ca 0.17 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2dhk h ALA 68 Cb 1.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2dhk h ALA 68 CO 0.35 0.00 0.80 1.05 0.00 0.00 0.00 179.25 181.45 2dhk h GLU 69 N 0.00 0.00 0.00 0.00 4.11 -1.88 1.13 114.58 117.94 2dhk h GLU 69 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 2dhk h GLU 69 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2dhk h GLU 69 CO 0.00 0.00 -2.12 -1.91 0.07 0.00 0.00 179.01 175.05 2dhk n GLU 70 N -3.01 0.67 0.00 1.06 2.13 -0.95 -4.47 120.64 116.08 2dhk n GLU 70 Ca 0.07 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2dhk n GLU 70 Cb 0.92 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 31.00 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 1.71 0.65 3.32 8.31 0.00 0.39 -2.82 105.19 116.75 2dhk n GLY 71 Ca -0.27 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.36 1.99 0.28 -0.61 1.09 -1.26 0.60 121.20 122.94 2dhk s ILE 72 Ca 0.00 -1.34 0.06 0.00 -1.10 0.00 0.00 60.65 58.27 2dhk s ILE 72 Cb 0.00 -1.71 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 2dhk s ILE 72 CO 0.00 0.31 0.25 2.22 -0.10 0.00 0.00 174.94 177.62 2dhk n PHE 73 N 1.77 -0.71 -3.70 3.97 -1.74 -0.34 -2.97 117.46 113.74 2dhk n PHE 73 Ca -0.17 -2.39 -0.11 0.00 -0.56 0.00 0.00 57.45 54.22 2dhk n PHE 73 Cb 0.52 0.26 -0.11 0.00 1.52 0.00 0.00 39.48 41.67 2dhk n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2dhk s GLU 74 N -3.14 0.40 -0.49 3.97 2.02 0.11 -2.75 118.70 118.81 2dhk s GLU 74 Ca 0.34 0.75 -0.15 0.00 0.02 0.00 0.00 54.97 55.92 2dhk s GLU 74 Cb 0.02 0.01 0.09 0.00 0.10 0.00 0.00 34.13 34.35 2dhk s GLU 74 CO 0.24 -0.14 0.42 0.42 0.02 0.00 0.00 175.26 176.22 2dhk s ILE 75 N 1.22 5.15 -0.26 -1.63 1.01 0.14 -0.26 121.20 126.57 2dhk s ILE 75 Ca -0.08 -1.23 -0.23 0.00 0.00 0.00 0.00 60.65 59.11 2dhk s ILE 75 Cb -0.08 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 2dhk s ILE 75 CO -0.11 -0.67 0.75 -0.54 0.00 0.00 0.00 174.94 174.38 2dhk s LYS 76 N 1.61 4.10 0.12 2.79 1.02 -0.25 -0.86 119.74 128.27 2dhk s LYS 76 Ca 0.04 0.72 0.06 0.00 0.02 0.00 0.00 55.97 56.80 2dhk s LYS 76 Cb -0.26 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 2dhk s LYS 76 CO 0.05 -0.53 -0.13 0.95 -0.92 0.00 0.00 175.35 174.77 2dhk s THR 77 N 2.76 1.27 -2.00 2.17 -4.23 -1.26 -0.80 115.64 113.56 2dhk s THR 77 Ca 0.31 -1.73 0.11 0.00 -1.18 0.00 0.00 61.69 59.20 2dhk s THR 77 Cb -0.15 -1.53 0.30 0.00 1.34 0.00 0.00 72.50 72.46 2dhk s THR 77 CO 0.09 -0.46 1.07 -0.81 -0.54 0.00 0.00 174.62 173.97 2dhk n PRO 78 N 0.48 0.49 -0.05 3.99 -0.04 -1.26 -3.15 135.00 135.46 2dhk n PRO 78 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 2dhk n PRO 78 Cb 0.57 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.84 1.04 -3.56 3.54 2.88 -1.26 -5.07 113.62 110.36 2dhk n SER 79 Ca 0.08 0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 57.71 2dhk n SER 79 Cb 0.04 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 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 -2.19 0.43 -0.27 -1.46 1.70 -1.19 -5.13 118.95 110.85 2dhk s ARG 80 Ca -0.14 0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 55.74 2dhk s ARG 80 Cb 0.05 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 2dhk s ARG 80 CO 0.19 -0.12 1.38 0.08 -1.08 0.00 0.00 175.30 175.74 2dhk s VAL 81 N 2.07 4.04 0.02 4.99 1.01 -1.26 -4.08 120.40 127.18 2dhk s VAL 81 Ca -0.06 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 2dhk s VAL 81 Cb -0.06 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2dhk s VAL 81 CO -0.17 -0.41 0.16 -0.63 0.00 0.00 0.00 175.10 174.05 2dhk s ILE 82 N 4.51 5.22 -0.23 2.22 -1.09 -0.04 -4.89 121.20 126.90 2dhk s ILE 82 Ca 0.60 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 2dhk s ILE 82 Cb -0.19 -3.46 0.06 0.00 -1.58 0.00 0.00 42.46 37.28 2dhk s ILE 82 CO 0.24 0.27 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.25 2dhk s THR 83 N -1.35 1.70 0.11 2.92 2.01 -1.26 0.27 115.64 120.03 2dhk s THR 83 Ca 0.28 -1.26 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2dhk s THR 83 Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2dhk s THR 83 CO 0.20 -0.02 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.19 2dhk s LEU 84 N 1.33 2.35 0.08 4.42 1.43 -1.11 -2.59 118.68 124.60 2dhk s LEU 84 Ca -0.05 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 2dhk s LEU 84 Cb -0.18 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 2dhk s LEU 84 CO -0.06 -0.06 -0.22 -1.59 0.23 0.00 0.00 176.35 174.65 2dhk s LYS 85 N -2.25 1.25 0.46 1.70 -2.85 -1.20 -1.20 119.74 115.66 2dhk s LYS 85 Ca 0.07 -1.11 0.08 0.00 -1.00 0.00 0.00 55.97 54.01 2dhk s LYS 85 Cb -0.08 -1.49 0.02 0.00 -2.06 0.00 0.00 37.83 34.22 2dhk s LYS 85 CO 0.04 0.36 0.54 0.00 0.10 0.00 0.00 175.35 176.39 2dhk s ALA 86 N -1.03 4.41 0.08 0.59 0.00 0.20 -3.64 121.76 122.38 2dhk s ALA 86 Ca 0.08 -1.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.01 2dhk s ALA 86 Cb -0.10 -1.32 -0.08 0.00 0.00 0.00 0.00 23.12 21.62 2dhk s ALA 86 CO 0.04 -0.40 1.38 0.00 0.00 0.00 0.00 175.76 176.78 2dhk h ALA 87 N 0.68 -0.71 -2.52 0.00 0.00 -1.89 -3.43 119.26 111.39 2dhk h ALA 87 Ca -0.38 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.13 2dhk h ALA 87 Cb 1.28 0.92 -0.14 0.00 0.00 0.00 0.00 17.79 19.85 2dhk h ALA 87 CO 0.49 -0.86 -0.56 0.95 0.00 0.00 0.00 179.25 179.26 2dhk s THR 88 N -4.84 0.19 0.47 0.00 -4.23 -1.25 -4.76 115.64 101.21 2dhk s THR 88 Ca -0.10 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.71 2dhk s THR 88 Cb 0.05 -2.51 0.50 0.00 1.34 0.00 0.00 72.50 71.88 2dhk s THR 88 CO 0.42 0.00 1.73 0.50 -0.54 0.00 0.00 174.62 176.73 2dhk h LYS 89 N 2.31 0.15 0.02 3.99 1.63 -1.72 0.23 116.57 123.18 2dhk h LYS 89 Ca -0.33 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.34 2dhk h LYS 89 Cb 1.25 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2dhk h LYS 89 CO 0.50 0.10 -0.51 0.37 -3.45 0.00 0.00 179.45 176.46 2dhk h GLN 90 N 0.16 0.32 -0.54 1.90 4.15 -1.92 -3.02 115.11 116.15 2dhk h GLN 90 Ca 0.67 -0.36 0.10 0.00 0.77 0.00 0.00 58.65 59.83 2dhk h GLN 90 Cb 2.22 0.11 -0.11 0.00 0.21 0.00 0.00 27.48 29.91 2dhk h GLN 90 CO -0.21 1.06 -0.32 0.00 -1.93 0.00 0.00 178.83 177.43 2dhk h ALA 91 N 0.26 -0.06 -0.59 3.38 0.00 -0.92 -0.19 119.26 121.14 2dhk h ALA 91 Ca -0.07 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dhk h ALA 91 Cb 1.26 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2dhk h ALA 91 CO 0.10 -0.68 0.34 0.00 0.00 0.00 0.00 179.25 179.01 2dhk h MET 92 N -0.18 0.82 -0.96 0.00 -0.00 -1.57 -2.11 114.93 110.92 2dhk h MET 92 Ca 0.22 -0.09 0.26 0.00 -0.00 0.00 0.00 59.70 60.09 2dhk h MET 92 Cb 0.54 -0.16 -0.05 0.00 -0.00 0.00 0.00 31.60 31.93 2dhk h MET 92 CO -0.64 0.61 0.67 -0.07 -0.00 0.00 0.00 176.91 177.49 2dhk h LEU 93 N 0.80 0.14 -0.15 -0.10 3.38 -0.92 0.33 115.31 118.79 2dhk h LEU 93 Ca 0.21 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.97 2dhk h LEU 93 Cb 0.02 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dhk h LEU 93 CO -0.04 0.04 -0.93 0.22 0.09 0.00 0.00 178.44 177.83 2dhk h TYR 94 N 0.13 0.76 0.06 1.13 3.20 -0.67 -2.53 116.97 119.05 2dhk h TYR 94 Ca 0.48 -0.40 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2dhk h TYR 94 Cb 1.67 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2dhk h TYR 94 CO -0.00 1.22 -0.03 -1.49 -1.64 0.00 0.00 178.16 176.22 2dhk h TRP 95 N 0.31 -0.07 -0.68 -3.82 4.06 -0.32 -0.55 115.95 114.88 2dhk h TRP 95 Ca -0.08 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.91 2dhk h TRP 95 Cb 1.56 0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 29.70 2dhk h TRP 95 CO 0.07 0.44 0.40 -0.07 -3.56 0.00 0.00 178.44 175.72 2dhk h LEU 96 N -0.63 0.62 0.50 -4.49 3.38 -0.96 0.54 115.31 114.27 2dhk h LEU 96 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dhk h LEU 96 Cb 0.54 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dhk h LEU 96 CO 0.01 0.41 -0.24 -0.61 0.09 0.00 0.00 178.44 178.10 2dhk h GLN 97 N 0.75 -0.65 0.76 1.13 5.75 -1.50 -3.06 115.11 118.30 2dhk h GLN 97 Ca 0.29 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.80 2dhk h GLN 97 Cb 0.13 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 2dhk h GLN 97 CO -0.15 -0.35 -0.45 1.96 -2.65 0.00 0.00 178.83 177.19 2dhk h GLN 98 N -1.03 -1.09 -0.74 1.69 1.08 -0.98 -2.81 115.11 111.23 2dhk h GLN 98 Ca -0.07 0.07 0.19 0.00 -1.45 0.00 0.00 58.65 57.39 2dhk h GLN 98 Cb 0.60 0.25 -0.14 0.00 -0.05 0.00 0.00 27.48 28.14 2dhk h GLN 98 CO 0.11 -0.73 -0.05 1.28 -0.95 0.00 0.00 178.83 178.50 2dhk n LEU 99 N -5.31 -0.15 0.21 1.46 4.77 0.19 0.74 117.00 118.92 2dhk n LEU 99 Ca -0.14 1.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.95 2dhk n LEU 99 Cb 0.47 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2dhk n LEU 99 CO 0.33 -1.26 0.64 1.56 -1.33 0.00 0.00 177.39 177.33 2dhk h GLN 100 N 0.00 -0.68 -0.76 3.23 4.20 -1.39 -2.54 115.11 117.17 2dhk h GLN 100 Ca 0.42 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.36 2dhk h GLN 100 Cb 0.80 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 28.59 2dhk h GLN 100 CO -0.72 -0.45 -0.05 -1.33 -0.67 0.00 0.00 178.83 175.61 2dhk n MET 101 N -5.45 -0.06 0.04 1.46 2.81 0.23 0.14 117.12 116.28 2dhk n MET 101 Ca -0.09 1.15 -0.11 0.00 -1.81 0.00 0.00 57.70 56.83 2dhk n MET 101 Cb 0.35 -1.79 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.06 0.19 0.03 1.79 -1.35 -0.59 116.57 116.59 2dhk h LYS 102 Ca 0.43 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.89 2dhk h LYS 102 Cb 0.82 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2dhk h LYS 102 CO -0.74 -0.04 -0.09 -0.09 -1.08 0.00 0.00 179.45 177.41 2dhk h ARG 103 N -0.07 -0.25 -1.00 3.15 2.43 0.13 -3.22 114.38 115.55 2dhk h ARG 103 Ca 0.02 0.02 0.39 0.00 -0.81 0.00 0.00 59.98 59.59 2dhk h ARG 103 Cb 0.09 0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 29.52 2dhk h ARG 103 CO -0.05 -0.17 0.45 2.35 -1.51 0.00 0.00 179.97 181.04 2dhk h TRP 104 N -0.58 0.67 0.19 2.20 7.01 0.30 -0.04 115.95 125.70 2dhk h TRP 104 Ca -0.03 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 2dhk h TRP 104 Cb 0.20 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2dhk h TRP 104 CO 0.04 -0.45 -0.30 0.93 -2.79 0.00 0.00 178.44 175.88 2dhk h GLU 105 N 0.02 -0.49 -0.98 2.65 5.08 -1.17 -1.42 114.58 118.28 2dhk h GLU 105 Ca 0.79 0.03 0.39 0.00 -1.00 0.00 0.00 59.36 59.58 2dhk h GLU 105 Cb 2.02 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 31.20 2dhk h GLU 105 CO -0.79 -0.33 0.45 0.34 -1.00 0.00 0.00 179.01 177.68 2dhk n PHE 106 N -4.15 1.06 -0.19 4.33 7.35 -0.04 0.18 117.46 126.00 2dhk n PHE 106 Ca -0.06 1.16 -0.10 0.00 -0.76 0.00 0.00 57.45 57.70 2dhk n PHE 106 Cb 0.25 -1.51 0.01 0.00 0.35 0.00 0.00 39.48 38.59 2dhk n PHE 106 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2dhk h HIS 107 N 0.00 1.08 0.15 -5.13 3.86 -1.21 -1.73 115.15 112.18 2dhk h HIS 107 Ca 0.79 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.80 2dhk h HIS 107 Cb 2.05 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 30.24 2dhk h HIS 107 CO -0.09 0.98 -0.07 -0.91 0.86 0.00 0.00 177.93 178.70 2dhk h ASN 108 N 0.87 -0.17 -2.70 2.45 -0.26 0.30 -3.43 115.58 112.65 2dhk h ASN 108 Ca 0.15 0.01 -0.60 0.00 -0.56 0.00 0.00 56.30 55.30 2dhk h ASN 108 Cb 0.56 0.04 -0.39 0.00 -1.06 0.00 0.00 38.32 37.48 2dhk h ASN 108 CO 0.03 0.27 -0.84 -0.55 -1.06 0.00 0.00 177.43 175.29 2dhk s SER 109 N -5.16 2.65 0.21 5.81 0.15 0.18 -5.10 113.70 112.45 2dhk s SER 109 Ca -0.03 -3.15 -0.30 0.00 0.70 0.00 0.00 55.95 53.17 2dhk s SER 109 Cb 0.00 -0.80 -0.09 0.00 -1.71 0.00 0.00 66.02 63.42 2dhk s SER 109 CO 0.09 -0.17 1.30 -2.16 1.20 0.00 0.00 173.24 173.49 2dhk s PRO 110 N -0.21 4.40 1.06 5.44 0.04 -0.65 -4.44 135.00 140.63 2dhk s PRO 110 Ca 0.28 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 2dhk s PRO 110 Cb -0.04 -3.19 0.22 0.00 0.04 0.00 0.00 34.50 31.53 2dhk s PRO 110 CO -0.15 -0.23 1.10 -1.25 0.04 0.00 0.00 177.00 176.51 2dhk s PRO 111 N -0.25 -0.04 0.66 0.56 0.04 -1.26 -5.01 135.00 129.70 2dhk s PRO 111 Ca 0.56 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.79 2dhk s PRO 111 Cb -0.36 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2dhk s PRO 111 CO 0.39 -3.01 1.14 0.00 0.04 0.00 0.00 177.00 175.56 2dhk s ALA 112 N -2.98 2.41 1.01 8.56 0.00 -1.26 -5.02 121.76 124.48 2dhk s ALA 112 Ca 0.67 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 2dhk s ALA 112 Cb -0.17 -3.37 0.20 0.00 0.00 0.00 0.00 23.12 19.78 2dhk s ALA 112 CO 0.57 -1.36 1.09 -1.25 0.00 0.00 0.00 175.76 174.81 2dhk s PRO 113 N -3.91 0.30 0.21 0.00 0.04 -1.26 -5.09 135.00 125.29 2dhk s PRO 113 Ca 0.70 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.25 2dhk s PRO 113 Cb -0.24 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2dhk s PRO 113 CO 0.40 -2.81 -0.01 -1.54 0.04 0.00 0.00 177.00 173.08 2dhk s SER 114 N -3.46 1.66 0.16 6.66 1.04 -1.26 -5.08 113.70 113.42 2dhk s SER 114 Ca 0.66 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2dhk s SER 114 Cb -0.19 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2dhk s SER 114 CO 0.58 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dhk n GLY 115 N -0.36 -3.97 0.11 7.32 0.00 -1.26 -4.89 105.19 102.15 2dhk n GLY 115 Ca -0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2dhk n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhk h PRO 116 N 1.14 0.26 -5.20 1.61 0.13 -2.08 -3.43 132.00 124.43 2dhk h PRO 116 Ca 0.00 -0.14 -0.57 0.00 -0.87 0.00 0.00 66.00 64.43 2dhk h PRO 116 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2dhk h PRO 116 CO 0.00 0.67 1.61 -1.13 -0.23 0.00 0.00 178.00 178.92 2dhk n SER 117 N -4.64 0.41 -3.74 1.44 3.41 -1.26 -4.87 113.62 104.37 2dhk n SER 117 Ca -0.07 0.32 -0.20 0.00 -0.26 0.00 0.00 58.87 58.66 2dhk n SER 117 Cb 0.33 -0.90 -0.17 0.00 -0.26 0.00 0.00 64.21 63.21 2dhk n SER 117 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dhk s SER 118 N 8.03 1.06 0.00 4.04 1.04 -1.26 -5.13 113.70 121.48 2dhk s SER 118 Ca 1.30 0.01 0.25 0.00 0.48 0.00 0.00 55.95 57.98 2dhk s SER 118 Cb -1.31 -0.24 0.42 0.00 0.10 0.00 0.00 66.02 65.00 2dhk s SER 118 CO 0.53 -0.19 1.39 0.61 0.98 0.00 0.00 173.24 176.56