#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 3.66 0.23 1.61 0.01 -1.26 -5.14 113.70 112.82 2dhk s SER 2 Ca 0.00 -0.66 -0.22 0.00 1.31 0.00 0.00 55.95 56.38 2dhk s SER 2 Cb 0.00 -0.41 0.04 0.00 0.21 0.00 0.00 66.02 65.86 2dhk s SER 2 CO 0.00 0.17 0.84 -0.55 0.41 0.00 0.00 173.24 174.10 2dhk s SER 3 N -2.20 -0.19 0.00 2.44 0.15 -1.26 -5.10 113.70 107.54 2dhk s SER 3 Ca 0.17 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dhk s SER 3 Cb -0.10 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2dhk s SER 3 CO 0.09 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.96 2dhk n GLY 4 N -0.48 0.92 3.07 9.45 0.00 -1.26 -4.93 105.19 111.96 2dhk n GLY 4 Ca -0.05 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 0.99 0.09 1.61 0.01 -1.26 -5.16 113.70 105.98 2dhk s SER 5 Ca 0.00 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2dhk s SER 5 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2dhk s SER 5 CO 0.00 -0.14 0.24 -0.44 0.41 0.00 0.00 173.24 173.31 2dhk s SER 6 N -1.39 6.36 0.00 2.44 0.01 -1.26 -4.70 113.70 115.16 2dhk s SER 6 Ca -0.07 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2dhk s SER 6 Cb -0.09 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2dhk s SER 6 CO 0.01 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2dhk n GLY 7 N -0.00 0.60 2.16 3.44 0.00 -1.26 -5.00 105.19 105.12 2dhk n GLY 7 Ca -0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.18 2.13 -0.66 1.61 5.02 -1.26 -4.99 118.16 119.83 2dhk n LYS 8 Ca 0.00 -2.10 -0.30 0.00 -2.02 0.00 0.00 58.31 53.89 2dhk n LYS 8 Cb 0.10 -1.88 0.16 0.00 -0.02 0.00 0.00 35.03 33.39 2dhk n LYS 8 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dhk n LYS 9 N 0.28 -1.68 -3.72 1.97 2.85 -1.26 -4.95 118.16 111.65 2dhk n LYS 9 Ca 0.41 -0.48 -0.38 0.00 -1.05 0.00 0.00 58.31 56.81 2dhk n LYS 9 Cb 0.57 -1.59 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 2dhk n LYS 9 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2dhk s LEU 10 N -0.25 4.87 0.12 -5.58 2.96 -1.26 -5.07 118.68 114.47 2dhk s LEU 10 Ca 0.50 -1.57 -0.03 0.00 -0.22 0.00 0.00 54.13 52.82 2dhk s LEU 10 Cb -0.08 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2dhk s LEU 10 CO 0.59 -0.47 0.09 0.00 -1.32 0.00 0.00 176.35 175.25 2dhk n GLY 12 N -0.08 2.24 3.69 0.00 0.00 -0.42 -5.01 105.19 105.61 2dhk n GLY 12 Ca -0.08 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 3.47 0.39 1.61 2.02 -1.26 -1.66 117.35 119.92 2dhk s TYR 13 Ca 0.00 1.07 0.05 0.00 -0.37 0.00 0.00 57.07 57.81 2dhk s TYR 13 Cb 0.00 -2.78 -0.06 0.00 -0.40 0.00 0.00 41.96 38.72 2dhk s TYR 13 CO 0.00 -0.03 0.04 -0.51 -1.57 0.00 0.00 175.55 173.47 2dhk s LEU 14 N 1.34 2.47 -0.21 -1.29 1.43 -0.10 -4.84 118.68 117.48 2dhk s LEU 14 Ca 0.32 -1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2dhk s LEU 14 Cb -0.16 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.46 2dhk s LEU 14 CO 0.13 -0.60 -0.13 -0.44 0.23 0.00 0.00 176.35 175.55 2dhk s SER 15 N -3.64 3.74 -0.06 2.29 0.01 -1.14 -0.41 113.70 114.49 2dhk s SER 15 Ca 0.31 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.72 2dhk s SER 15 Cb 0.08 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 2dhk s SER 15 CO 0.15 -0.04 0.54 -0.75 0.41 0.00 0.00 173.24 173.55 2dhk s LYS 16 N 1.34 4.30 0.71 12.44 2.20 -0.86 -2.35 119.74 137.51 2dhk s LYS 16 Ca 0.04 0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 56.14 2dhk s LYS 16 Cb -0.14 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 2dhk s LYS 16 CO -0.08 0.28 1.08 0.12 -0.36 0.00 0.00 175.35 176.38 2dhk s PHE 17 N 0.16 3.18 -0.47 4.03 5.36 -0.93 -1.62 117.98 127.69 2dhk s PHE 17 Ca 0.29 0.84 -0.46 0.00 -0.96 0.00 0.00 56.93 56.63 2dhk s PHE 17 Cb -0.17 -3.13 -0.20 0.00 -0.34 0.00 0.00 43.02 39.18 2dhk s PHE 17 CO 0.14 -1.29 1.60 0.41 -1.46 0.00 0.00 175.22 174.62 2dhk n GLY 18 N -3.00 0.23 3.54 13.12 0.00 -0.49 -4.78 105.19 113.80 2dhk n GLY 18 Ca 0.07 1.00 -0.01 0.00 0.00 0.00 0.00 46.02 47.08 2dhk n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dhk s GLY 19 N 2.98 -0.39 -1.26 -0.02 0.00 -1.26 -4.87 107.32 102.50 2dhk s GLY 19 Ca 1.04 2.76 -0.03 0.00 0.00 0.00 0.00 44.72 48.50 2dhk s GLY 19 CO 0.80 3.04 1.02 0.28 0.00 0.00 0.00 173.10 178.25 2dhk n LYS 20 N 4.94 -6.82 -4.03 2.90 4.76 -1.26 -5.00 118.16 113.66 2dhk n LYS 20 Ca -0.12 0.82 -0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2dhk n LYS 20 Cb 0.52 -5.81 -0.06 0.00 -1.84 0.00 0.00 35.03 27.85 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 -4.07 0.72 0.23 0.72 0.00 -1.26 -5.05 107.32 98.61 2dhk s GLY 21 Ca 0.17 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 2dhk s GLY 21 CO 0.74 -0.74 1.59 -0.56 0.00 0.00 0.00 173.10 174.13 2dhk h PRO 22 N 2.28 0.49 -5.37 2.90 0.13 -2.03 -3.46 132.00 126.95 2dhk h PRO 22 Ca -0.27 -0.26 -0.57 0.00 -0.87 0.00 0.00 66.00 64.02 2dhk h PRO 22 Cb 1.25 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2dhk h PRO 22 CO 0.38 0.84 -0.58 0.96 -0.23 0.00 0.00 178.00 179.37 2dhk s ILE 23 N -4.16 1.43 0.09 -3.56 -0.00 -1.26 -5.16 121.20 108.58 2dhk s ILE 23 Ca -0.07 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 58.65 2dhk s ILE 23 Cb 0.12 -2.73 -0.04 0.00 -0.00 0.00 0.00 42.46 39.81 2dhk s ILE 23 CO 0.82 0.00 -0.11 0.00 -0.00 0.00 0.00 174.94 175.65 2dhk s ARG 24 N -3.80 2.14 0.00 0.37 1.70 -1.26 -4.58 118.95 113.51 2dhk s ARG 24 Ca 0.30 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 2dhk s ARG 24 Cb 0.07 -2.30 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 2dhk s ARG 24 CO 0.14 0.52 0.00 0.41 -1.08 0.00 0.00 175.30 175.29 2dhk n GLY 25 N 0.86 1.61 3.83 3.88 0.00 -1.26 -4.82 105.19 109.29 2dhk n GLY 25 Ca -0.14 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.96 3.72 -0.03 1.61 0.52 -1.25 -1.40 118.94 120.15 2dhk s TRP 26 Ca 0.00 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.24 2dhk s TRP 26 Cb 0.00 -2.38 0.02 0.00 -1.15 0.00 0.00 33.47 29.95 2dhk s TRP 26 CO 0.00 0.56 -0.04 -1.59 0.02 0.00 0.00 176.95 175.90 2dhk s LYS 27 N -1.36 0.68 -0.45 4.98 -2.85 -0.64 -4.91 119.74 115.18 2dhk s LYS 27 Ca 0.30 -0.10 -0.27 0.00 -1.00 0.00 0.00 55.97 54.89 2dhk s LYS 27 Cb -0.17 -0.70 -0.03 0.00 -2.06 0.00 0.00 37.83 34.86 2dhk s LYS 27 CO 0.17 -0.04 1.99 -1.54 0.10 0.00 0.00 175.35 176.04 2dhk s SER 28 N 0.69 5.32 0.07 0.03 1.04 -1.26 -2.04 113.70 117.54 2dhk s SER 28 Ca -0.09 0.98 0.09 0.00 0.48 0.00 0.00 55.95 57.41 2dhk s SER 28 Cb -0.12 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 2dhk s SER 28 CO -0.00 -2.22 -0.24 -0.13 0.98 0.00 0.00 173.24 171.63 2dhk s ARG 29 N 6.77 1.80 -0.23 4.02 1.81 0.45 -4.95 118.95 128.63 2dhk s ARG 29 Ca 0.81 -1.12 -0.20 0.00 -1.72 0.00 0.00 55.73 53.49 2dhk s ARG 29 Cb -0.19 -2.03 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 2dhk s ARG 29 CO 0.28 0.51 0.62 -0.46 -0.68 0.00 0.00 175.30 175.57 2dhk s TRP 30 N -0.91 3.33 -0.03 -0.53 -0.11 -0.23 -0.93 118.94 119.53 2dhk s TRP 30 Ca 0.13 0.86 0.04 0.00 1.22 0.00 0.00 56.10 58.36 2dhk s TRP 30 Cb -0.10 -2.81 -0.03 0.00 -1.50 0.00 0.00 33.47 29.03 2dhk s TRP 30 CO 0.04 -0.25 -0.14 -0.06 -4.62 0.00 0.00 176.95 171.93 2dhk s PHE 31 N 2.20 2.70 -0.19 5.86 0.40 -0.67 -0.11 117.98 128.17 2dhk s PHE 31 Ca 0.27 -0.16 -0.15 0.00 -0.60 0.00 0.00 56.93 56.29 2dhk s PHE 31 Cb -0.16 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 41.83 2dhk s PHE 31 CO 0.09 0.23 0.50 -0.59 0.70 0.00 0.00 175.22 176.15 2dhk s PHE 32 N -0.80 -0.62 0.46 0.36 -0.12 0.11 -1.31 117.98 116.06 2dhk s PHE 32 Ca 0.13 1.42 -0.15 0.00 -0.05 0.00 0.00 56.93 58.28 2dhk s PHE 32 Cb -0.11 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.47 2dhk s PHE 32 CO 0.02 -0.32 0.89 -0.47 -0.05 0.00 0.00 175.22 175.30 2dhk s TYR 33 N 0.73 3.44 -0.08 3.49 6.14 -0.47 -0.95 117.35 129.66 2dhk s TYR 33 Ca -0.04 1.32 0.05 0.00 0.64 0.00 0.00 57.07 59.04 2dhk s TYR 33 Cb -0.05 -2.66 -0.01 0.00 0.42 0.00 0.00 41.96 39.66 2dhk s TYR 33 CO -0.05 -0.22 -0.23 0.34 0.64 0.00 0.00 175.55 176.03 2dhk s ASP 34 N -2.96 3.26 -0.37 4.32 2.15 -0.32 -4.80 116.67 117.96 2dhk s ASP 34 Ca 0.56 -0.48 0.08 0.00 0.43 0.00 0.00 52.55 53.14 2dhk s ASP 34 Cb -0.10 -1.08 0.72 0.00 -0.30 0.00 0.00 42.92 42.16 2dhk s ASP 34 CO 0.29 0.22 1.85 -1.84 -0.17 0.00 0.00 175.17 175.51 2dhk n GLU 35 N 3.12 3.23 -0.07 4.34 0.28 -1.26 -3.21 120.64 127.07 2dhk n GLU 35 Ca -0.18 -3.07 -0.13 0.00 -0.16 0.00 0.00 57.16 53.61 2dhk n GLU 35 Cb 0.52 -2.20 -0.05 0.00 1.43 0.00 0.00 31.44 31.14 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 -0.49 0.31 -0.06 3.44 1.74 -1.26 -4.73 116.66 115.60 2dhk n ARG 36 Ca 0.47 0.12 0.03 0.00 -0.77 0.00 0.00 57.85 57.70 2dhk n ARG 36 Cb 1.49 -1.07 0.06 0.00 -1.02 0.00 0.00 32.46 31.91 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 -3.42 1.76 -3.59 5.56 5.02 -1.26 -4.99 118.16 117.23 2dhk n LYS 37 Ca -0.26 -1.44 -0.22 0.00 -2.02 0.00 0.00 58.31 54.37 2dhk n LYS 37 Cb 0.71 -1.13 0.07 0.00 -0.02 0.00 0.00 35.03 34.66 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 -5.96 1.03 -0.42 0.00 -0.21 -1.22 -4.04 119.66 108.84 2dhk s GLN 39 Ca 0.30 -1.42 -0.16 0.00 0.02 0.00 0.00 55.36 54.10 2dhk s GLN 39 Cb -0.14 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.30 2dhk s GLN 39 CO 0.75 0.07 0.39 -1.17 -2.12 0.00 0.00 175.29 173.21 2dhk s LEU 40 N -3.10 5.02 0.01 2.90 2.96 -0.59 -1.17 118.68 124.71 2dhk s LEU 40 Ca 0.15 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 2dhk s LEU 40 Cb 0.02 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2dhk s LEU 40 CO 0.00 -0.55 0.17 -0.31 -1.32 0.00 0.00 176.35 174.34 2dhk s TYR 41 N 1.95 3.48 -0.04 5.38 1.51 -0.12 -0.37 117.35 129.14 2dhk s TYR 41 Ca 0.09 0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 56.36 2dhk s TYR 41 Cb -0.18 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2dhk s TYR 41 CO 0.12 0.61 0.20 1.52 -1.11 0.00 0.00 175.55 176.89 2dhk s TYR 42 N -1.34 -0.12 0.20 2.71 1.13 -0.49 0.10 117.35 119.53 2dhk s TYR 42 Ca 0.28 0.26 0.03 0.00 -1.41 0.00 0.00 57.07 56.23 2dhk s TYR 42 Cb -0.13 0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 2dhk s TYR 42 CO 0.20 -0.22 0.11 -1.13 -2.51 0.00 0.00 175.55 172.00 2dhk n SER 43 N 2.14 0.41 -0.11 -0.18 3.41 0.84 -0.16 113.62 119.97 2dhk n SER 43 Ca -0.18 -2.15 -0.11 0.00 -0.26 0.00 0.00 58.87 56.18 2dhk n SER 43 Cb 0.57 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 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 0.54 -4.24 4.33 3.08 -1.87 -0.59 114.38 115.63 2dhk h ARG 44 Ca -0.15 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.57 2dhk h ARG 44 Cb 0.63 -0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.50 2dhk h ARG 44 CO 0.22 0.67 -0.46 0.95 -1.07 0.00 0.00 179.97 180.28 2dhk s THR 45 N -5.06 0.02 0.29 2.04 -4.23 -1.26 -3.68 115.64 103.77 2dhk s THR 45 Ca -0.13 -1.76 0.28 0.00 -1.18 0.00 0.00 61.69 58.89 2dhk s THR 45 Cb 0.09 -2.29 0.29 0.00 1.34 0.00 0.00 72.50 71.93 2dhk s THR 45 CO 0.76 -0.09 1.99 0.00 -0.54 0.00 0.00 174.62 176.74 2dhk h ALA 46 N 2.54 1.13 0.00 3.99 0.00 -1.93 -2.20 119.26 122.80 2dhk h ALA 46 Ca -0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2dhk h ALA 46 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dhk h ALA 46 CO 0.49 0.18 -0.11 1.96 0.00 0.00 0.00 179.25 181.76 2dhk h GLN 47 N 0.00 0.00 -3.72 0.00 4.20 -2.00 -3.37 115.11 110.22 2dhk h GLN 47 Ca -0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 2dhk h GLN 47 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2dhk h GLN 47 CO 0.02 0.11 3.32 -0.25 -0.67 0.00 0.00 178.83 181.36 2dhk n ASP 48 N -3.15 5.27 -0.23 1.46 9.92 -0.83 -4.76 116.55 124.23 2dhk n ASP 48 Ca 0.03 -2.75 0.23 0.00 -0.53 0.00 0.00 54.79 51.77 2dhk n ASP 48 Cb 0.52 -1.61 0.42 0.00 -0.64 0.00 0.00 41.12 39.81 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 5.39 0.74 -2.13 2.24 0.00 -1.26 -3.97 120.51 121.51 2dhk n ALA 49 Ca 0.60 0.72 -0.43 0.00 0.00 0.00 0.00 53.44 54.32 2dhk n ALA 49 Cb 0.34 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 -4.65 6.19 0.00 0.00 0.01 -1.26 -4.96 114.94 110.28 2dhk s ASN 50 Ca -0.06 1.32 -0.30 0.00 -0.71 0.00 0.00 52.86 53.10 2dhk s ASN 50 Cb 0.24 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.31 2dhk s ASN 50 CO 0.55 -1.46 1.44 -2.16 -1.51 0.00 0.00 177.10 173.96 2dhk s PRO 51 N 5.09 4.26 0.11 -0.60 0.04 -1.25 -4.76 135.00 137.89 2dhk s PRO 51 Ca 0.72 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.55 2dhk s PRO 51 Cb -0.21 -3.60 -0.08 0.00 0.04 0.00 0.00 34.50 30.64 2dhk s PRO 51 CO 0.31 -0.61 1.69 -0.07 0.04 0.00 0.00 177.00 178.37 2dhk h LEU 52 N 8.50 -0.29 -8.30 -3.56 3.38 -0.88 -3.47 115.31 110.68 2dhk h LEU 52 Ca -0.38 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 2dhk h LEU 52 Cb 1.18 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 2dhk h LEU 52 CO 0.91 -0.15 -0.18 -1.81 0.09 0.00 0.00 178.44 177.31 2dhk s ASP 53 N -5.06 0.03 0.04 -0.43 1.01 -0.94 -5.01 116.67 106.32 2dhk s ASP 53 Ca -0.14 -1.04 0.01 0.00 0.71 0.00 0.00 52.55 52.09 2dhk s ASP 53 Cb 0.08 0.58 -0.02 0.00 1.01 0.00 0.00 42.92 44.56 2dhk s ASP 53 CO 0.67 -1.13 -0.05 -0.94 0.21 0.00 0.00 175.17 173.92 2dhk s SER 54 N -3.06 0.56 -0.16 0.27 1.04 -1.26 -1.40 113.70 109.69 2dhk s SER 54 Ca 0.25 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 2dhk s SER 54 Cb 0.00 0.08 0.05 0.00 0.10 0.00 0.00 66.02 66.25 2dhk s SER 54 CO 0.11 -0.30 -0.00 -0.63 0.98 0.00 0.00 173.24 173.40 2dhk s ILE 55 N -1.78 0.71 -0.28 -1.02 1.09 0.50 -4.92 121.20 115.48 2dhk s ILE 55 Ca -0.10 -0.47 -0.28 0.00 -1.10 0.00 0.00 60.65 58.70 2dhk s ILE 55 Cb -0.07 -1.04 -0.05 0.00 -1.06 0.00 0.00 42.46 40.24 2dhk s ILE 55 CO -0.01 -0.02 2.18 -0.62 -0.10 0.00 0.00 174.94 176.37 2dhk s ASP 56 N 1.80 5.36 0.32 3.58 2.15 -1.26 -1.54 116.67 127.08 2dhk s ASP 56 Ca 0.00 1.65 0.17 0.00 0.43 0.00 0.00 52.55 54.80 2dhk s ASP 56 Cb -0.16 -2.51 0.39 0.00 -0.30 0.00 0.00 42.92 40.34 2dhk s ASP 56 CO -0.07 -2.07 1.60 -0.07 -0.17 0.00 0.00 175.17 174.38 2dhk h LEU 57 N 15.60 0.00 -1.18 -1.34 3.38 -1.93 -3.24 115.31 126.60 2dhk h LEU 57 Ca -0.37 0.00 0.34 0.00 0.09 0.00 0.00 57.88 57.94 2dhk h LEU 57 Cb 1.23 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.85 2dhk h LEU 57 CO 1.00 0.47 0.67 0.28 0.09 0.00 0.00 178.44 180.95 2dhk h SER 58 N 0.00 0.43 -0.47 -0.43 0.02 -1.88 0.15 113.55 111.37 2dhk h SER 58 Ca -0.00 0.15 -0.35 0.00 -0.84 0.00 0.00 61.79 60.75 2dhk h SER 58 Cb 1.14 0.11 -0.30 0.00 0.14 0.00 0.00 62.40 63.48 2dhk h SER 58 CO 0.06 -0.10 -0.76 -1.20 -1.14 0.00 0.00 176.83 173.69 2dhk n SER 59 N -4.87 3.51 -4.45 3.07 7.64 -1.22 -5.01 113.62 112.29 2dhk n SER 59 Ca 0.32 -3.56 -0.31 0.00 1.01 0.00 0.00 58.87 56.32 2dhk n SER 59 Cb 1.08 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 63.74 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 -3.35 2.57 -0.20 -0.43 0.00 0.51 -4.19 121.76 116.67 2dhk s ALA 60 Ca 0.44 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2dhk s ALA 60 Cb 0.39 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.75 2dhk s ALA 60 CO -0.01 0.56 -0.17 0.54 0.00 0.00 0.00 175.76 176.68 2dhk s VAL 61 N -0.84 2.11 0.04 0.00 0.11 0.50 -4.94 120.40 117.39 2dhk s VAL 61 Ca 0.13 -1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 57.81 2dhk s VAL 61 Cb -0.10 -1.99 -0.06 0.00 -1.53 0.00 0.00 36.38 32.70 2dhk s VAL 61 CO 0.03 0.37 0.73 -0.36 -3.33 0.00 0.00 175.10 172.54 2dhk s PHE 62 N 1.24 3.74 0.19 1.54 0.08 -1.26 -0.18 117.98 123.32 2dhk s PHE 62 Ca 0.01 1.42 0.02 0.00 0.12 0.00 0.00 56.93 58.50 2dhk s PHE 62 Cb -0.15 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 2dhk s PHE 62 CO -0.11 0.31 0.02 0.34 -0.10 0.00 0.00 175.22 175.68 2dhk s ASP 63 N -0.17 1.20 -0.09 1.36 2.15 0.14 -4.95 116.67 116.31 2dhk s ASP 63 Ca 0.37 -1.21 -0.01 0.00 0.43 0.00 0.00 52.55 52.13 2dhk s ASP 63 Cb -0.20 0.13 -0.03 0.00 -0.30 0.00 0.00 42.92 42.52 2dhk s ASP 63 CO 0.22 -0.59 -0.05 0.00 -0.17 0.00 0.00 175.17 174.58 2dhk s LYS 65 N -0.54 -0.19 0.23 0.00 -0.14 -1.03 -4.93 119.74 113.14 2dhk s LYS 65 Ca 0.08 0.18 -0.03 0.00 -1.36 0.00 0.00 55.97 54.84 2dhk s LYS 65 Cb -0.12 -1.69 0.25 0.00 -1.68 0.00 0.00 37.83 34.58 2dhk s LYS 65 CO 0.02 -3.08 1.68 0.00 -0.76 0.00 0.00 175.35 173.21 2dhk h ALA 66 N -2.13 0.96 -0.66 5.17 0.00 -2.00 -2.85 119.26 117.75 2dhk h ALA 66 Ca -0.50 -0.34 -0.42 0.00 0.00 0.00 0.00 54.91 53.66 2dhk h ALA 66 Cb 1.31 -0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 2dhk h ALA 66 CO 0.47 0.61 0.54 -0.25 0.00 0.00 0.00 179.25 180.62 2dhk n ASP 67 N -4.15 5.80 0.31 0.00 9.92 -1.26 -4.56 116.55 122.62 2dhk n ASP 67 Ca 0.01 -3.24 0.17 0.00 -0.53 0.00 0.00 54.79 51.19 2dhk n ASP 67 Cb 0.39 -0.93 0.86 0.00 -0.64 0.00 0.00 41.12 40.80 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dhk h ALA 68 N 1.56 1.38 -0.69 2.24 0.00 -1.77 -1.91 119.26 120.07 2dhk h ALA 68 Ca 0.41 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.52 2dhk h ALA 68 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2dhk h ALA 68 CO 0.95 -0.32 0.88 1.05 0.00 0.00 0.00 179.25 181.81 2dhk h GLU 69 N 0.00 0.00 0.00 0.00 4.11 -1.88 1.54 114.58 118.35 2dhk h GLU 69 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 2dhk h GLU 69 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2dhk h GLU 69 CO -0.00 0.00 -1.81 -1.91 0.07 0.00 0.00 179.01 175.36 2dhk n GLU 70 N -3.35 0.65 0.00 1.06 2.13 -0.72 -4.31 120.64 116.11 2dhk n GLU 70 Ca 0.15 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2dhk n GLU 70 Cb 1.10 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 31.17 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 1.43 0.69 3.55 8.31 0.00 0.53 -2.75 105.19 116.94 2dhk n GLY 71 Ca -0.13 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.89 3.34 0.25 -0.61 1.09 -1.25 0.42 121.20 123.55 2dhk s ILE 72 Ca 0.00 -0.93 -0.05 0.00 -1.10 0.00 0.00 60.65 58.57 2dhk s ILE 72 Cb 0.00 -2.44 -0.02 0.00 -1.06 0.00 0.00 42.46 38.94 2dhk s ILE 72 CO 0.00 0.36 0.32 0.72 -0.10 0.00 0.00 174.94 176.24 2dhk s PHE 73 N -0.98 0.90 -0.11 3.97 -0.71 -0.52 -2.47 117.98 118.07 2dhk s PHE 73 Ca 0.16 -1.15 -0.08 0.00 -1.04 0.00 0.00 56.93 54.82 2dhk s PHE 73 Cb -0.11 -0.23 0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2dhk s PHE 73 CO 0.07 -0.86 0.28 -1.21 -1.34 0.00 0.00 175.22 172.16 2dhk s GLU 74 N -3.89 0.28 -0.48 1.99 2.02 0.15 -2.20 118.70 116.57 2dhk s GLU 74 Ca 0.32 0.48 -0.13 0.00 0.02 0.00 0.00 54.97 55.66 2dhk s GLU 74 Cb 0.03 0.03 0.10 0.00 0.10 0.00 0.00 34.13 34.39 2dhk s GLU 74 CO 0.13 -0.10 0.38 0.42 0.02 0.00 0.00 175.26 176.12 2dhk s ILE 75 N 0.71 4.77 -0.24 -1.63 1.01 -0.28 0.23 121.20 125.77 2dhk s ILE 75 Ca -0.05 -1.43 -0.27 0.00 0.00 0.00 0.00 60.65 58.90 2dhk s ILE 75 Cb -0.06 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2dhk s ILE 75 CO -0.04 -0.69 0.93 -0.54 0.00 0.00 0.00 174.94 174.59 2dhk s LYS 76 N 1.52 4.22 0.12 2.79 1.02 0.74 -1.63 119.74 128.53 2dhk s LYS 76 Ca 0.04 1.14 0.06 0.00 0.02 0.00 0.00 55.97 57.23 2dhk s LYS 76 Cb -0.26 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 2dhk s LYS 76 CO 0.03 -0.57 -0.13 0.95 -0.92 0.00 0.00 175.35 174.71 2dhk s THR 77 N 3.01 1.27 -2.00 2.17 -4.23 -1.26 -0.37 115.64 114.24 2dhk s THR 77 Ca 0.39 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.26 2dhk s THR 77 Cb -0.15 -1.55 0.31 0.00 1.34 0.00 0.00 72.50 72.45 2dhk s THR 77 CO 0.07 -0.47 1.08 -0.81 -0.54 0.00 0.00 174.62 173.95 2dhk n PRO 78 N 0.44 0.49 -0.05 3.99 -0.04 -1.26 -3.17 135.00 135.40 2dhk n PRO 78 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 2dhk n PRO 78 Cb 0.58 -1.35 -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 -0.85 0.93 -3.57 3.54 2.88 -1.26 -5.07 113.62 110.22 2dhk n SER 79 Ca 0.08 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 2dhk n SER 79 Cb 0.04 -0.30 -0.05 0.00 -0.75 0.00 0.00 64.21 63.14 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 0.44 -0.32 -1.46 1.70 -1.19 -5.13 118.95 110.80 2dhk s ARG 80 Ca -0.15 0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 55.75 2dhk s ARG 80 Cb 0.06 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2dhk s ARG 80 CO 0.19 -0.12 1.35 0.08 -1.08 0.00 0.00 175.30 175.72 2dhk s VAL 81 N 2.02 4.06 0.22 4.99 1.01 -1.26 -4.08 120.40 127.36 2dhk s VAL 81 Ca -0.07 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2dhk s VAL 81 Cb -0.06 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2dhk s VAL 81 CO -0.17 -0.53 0.40 -0.63 0.00 0.00 0.00 175.10 174.16 2dhk s ILE 82 N 4.67 5.21 -0.27 2.22 -1.09 -0.65 -4.97 121.20 126.32 2dhk s ILE 82 Ca 0.58 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 2dhk s ILE 82 Cb -0.16 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 37.03 2dhk s ILE 82 CO 0.26 -0.24 0.05 -0.89 -1.23 0.00 0.00 174.94 172.89 2dhk s THR 83 N -1.93 1.01 0.05 2.92 2.01 -1.26 -1.13 115.64 117.32 2dhk s THR 83 Ca 0.38 -1.25 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2dhk s THR 83 Cb -0.11 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2dhk s THR 83 CO 0.30 -0.47 -0.25 -0.76 -0.69 0.00 0.00 174.62 172.75 2dhk s LEU 84 N 1.58 2.18 0.08 4.42 1.43 -0.94 -2.18 118.68 125.26 2dhk s LEU 84 Ca 0.05 -0.59 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2dhk s LEU 84 Cb -0.18 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2dhk s LEU 84 CO -0.17 0.22 -0.24 -1.59 0.23 0.00 0.00 176.35 174.80 2dhk s LYS 85 N -1.32 1.39 0.58 1.70 -2.85 -0.99 -1.44 119.74 116.82 2dhk s LYS 85 Ca 0.11 -1.15 0.07 0.00 -1.00 0.00 0.00 55.97 54.00 2dhk s LYS 85 Cb -0.10 -1.67 0.08 0.00 -2.06 0.00 0.00 37.83 34.08 2dhk s LYS 85 CO 0.02 0.41 0.80 0.00 0.10 0.00 0.00 175.35 176.68 2dhk s ALA 86 N -0.98 4.49 0.02 0.59 0.00 0.17 -2.90 121.76 123.15 2dhk s ALA 86 Ca 0.10 -1.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.00 2dhk s ALA 86 Cb -0.10 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 2dhk s ALA 86 CO 0.04 -0.88 1.11 0.00 0.00 0.00 0.00 175.76 176.03 2dhk h ALA 87 N 0.12 -0.80 -4.76 0.00 0.00 -1.86 -3.43 119.26 108.51 2dhk h ALA 87 Ca -0.33 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.06 2dhk h ALA 87 Cb 1.28 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 2dhk h ALA 87 CO 0.42 -0.81 -0.36 0.25 0.00 0.00 0.00 179.25 178.75 2dhk n THR 88 N -2.93 0.00 0.05 0.00 -2.24 -1.25 -4.73 114.28 103.19 2dhk n THR 88 Ca -0.02 -1.79 0.02 0.00 -2.27 0.00 0.00 64.05 59.99 2dhk n THR 88 Cb 0.09 0.39 0.36 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.41 0.00 -0.78 1.63 -1.70 -1.73 116.57 114.40 2dhk h LYS 89 Ca -0.30 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.42 2dhk h LYS 89 Cb 0.95 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2dhk h LYS 89 CO 0.50 0.44 -0.01 1.96 -3.45 0.00 0.00 179.45 178.90 2dhk h GLN 90 N 0.39 0.00 0.41 1.90 4.20 -1.92 -3.31 115.11 116.79 2dhk h GLN 90 Ca 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2dhk h GLN 90 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2dhk h GLN 90 CO 0.01 0.01 -0.20 0.00 -0.67 0.00 0.00 178.83 177.98 2dhk h ALA 91 N 1.99 -0.89 -0.75 3.87 0.00 -1.69 -3.23 119.26 118.56 2dhk h ALA 91 Ca -0.00 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2dhk h ALA 91 Cb 0.95 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 2dhk h ALA 91 CO 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 179.25 178.31 2dhk h MET 92 N -0.68 0.05 -0.99 0.00 -0.00 -1.68 0.21 114.93 111.83 2dhk h MET 92 Ca -0.06 -0.00 0.37 0.00 -0.00 0.00 0.00 59.70 60.02 2dhk h MET 92 Cb 0.42 -0.01 -0.17 0.00 -0.00 0.00 0.00 31.60 31.84 2dhk h MET 92 CO 0.09 0.03 0.48 -0.07 -0.00 0.00 0.00 176.91 177.45 2dhk h LEU 93 N 0.05 0.27 -0.41 -0.10 3.38 -1.64 0.96 115.31 117.82 2dhk h LEU 93 Ca 0.39 0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.53 2dhk h LEU 93 Cb 0.65 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dhk h LEU 93 CO -0.71 -0.35 -0.01 0.22 0.09 0.00 0.00 178.44 177.68 2dhk h TYR 94 N 0.09 0.80 -0.01 1.13 3.20 -0.59 -1.36 116.97 120.22 2dhk h TYR 94 Ca 0.79 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 62.51 2dhk h TYR 94 Cb 1.97 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 40.03 2dhk h TYR 94 CO -0.07 0.81 -0.00 -1.49 -1.64 0.00 0.00 178.16 175.77 2dhk h TRP 95 N 0.56 0.03 -0.33 -3.82 4.06 0.86 0.19 115.95 117.49 2dhk h TRP 95 Ca 0.11 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.10 2dhk h TRP 95 Cb 0.50 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 2dhk h TRP 95 CO 0.04 0.36 0.08 -0.07 -3.56 0.00 0.00 178.44 175.29 2dhk h LEU 96 N -0.31 0.05 0.39 -4.49 3.38 -0.62 0.47 115.31 114.17 2dhk h LEU 96 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2dhk h LEU 96 Cb 0.35 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dhk h LEU 96 CO 0.00 0.06 -0.19 -0.61 0.09 0.00 0.00 178.44 177.80 2dhk h GLN 97 N 0.20 -0.51 0.58 1.13 5.75 -1.24 -2.89 115.11 118.14 2dhk h GLN 97 Ca 0.15 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2dhk h GLN 97 Cb 0.16 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2dhk h GLN 97 CO -0.19 -0.23 -0.39 1.96 -2.65 0.00 0.00 178.83 177.33 2dhk h GLN 98 N -0.74 -0.89 -0.86 1.69 1.08 -0.80 -2.52 115.11 112.08 2dhk h GLN 98 Ca -0.05 0.06 0.31 0.00 -1.45 0.00 0.00 58.65 57.52 2dhk h GLN 98 Cb 0.51 0.20 -0.16 0.00 -0.05 0.00 0.00 27.48 27.99 2dhk h GLN 98 CO 0.09 -0.59 0.29 1.28 -0.95 0.00 0.00 178.83 178.94 2dhk n LEU 99 N -4.86 0.14 0.20 1.46 4.77 0.16 0.80 117.00 119.67 2dhk n LEU 99 Ca -0.11 1.44 -0.15 0.00 -0.03 0.00 0.00 56.01 57.16 2dhk n LEU 99 Cb 0.39 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 2dhk n LEU 99 CO 0.26 -1.55 0.72 1.56 -1.33 0.00 0.00 177.39 177.05 2dhk h GLN 100 N 0.00 -0.44 -0.76 3.23 4.20 -1.23 -3.00 115.11 117.11 2dhk h GLN 100 Ca 0.65 0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.53 2dhk h GLN 100 Cb 1.59 0.10 -0.14 0.00 0.30 0.00 0.00 27.48 29.33 2dhk h GLN 100 CO -0.72 -0.25 -0.21 -1.33 -0.67 0.00 0.00 178.83 175.65 2dhk n MET 101 N -5.26 -0.09 0.27 1.46 2.81 0.24 0.10 117.12 116.66 2dhk n MET 101 Ca -0.10 1.19 -0.16 0.00 -1.81 0.00 0.00 57.70 56.81 2dhk n MET 101 Cb 0.22 -1.77 -0.08 0.00 -0.71 0.00 0.00 33.22 30.88 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 -0.76 0.39 0.03 1.79 -1.46 -0.72 116.57 115.84 2dhk h LYS 102 Ca 0.35 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.85 2dhk h LYS 102 Cb 0.54 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2dhk h LYS 102 CO -0.78 -0.51 -0.19 -0.09 -1.08 0.00 0.00 179.45 176.80 2dhk h ARG 103 N -0.79 -0.51 -0.91 3.15 2.43 -0.02 -2.99 114.38 114.73 2dhk h ARG 103 Ca -0.05 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.35 2dhk h ARG 103 Cb 0.67 0.12 -0.17 0.00 -0.42 0.00 0.00 29.97 30.16 2dhk h ARG 103 CO 0.01 -0.34 -0.18 1.87 -1.51 0.00 0.00 179.97 179.82 2dhk n TRP 104 N -3.76 0.38 0.07 2.20 -0.00 0.29 -0.56 117.44 116.05 2dhk n TRP 104 Ca -0.07 1.11 -0.13 0.00 -0.00 0.00 0.00 57.50 58.42 2dhk n TRP 104 Cb 0.21 -1.06 -0.08 0.00 -0.00 0.00 0.00 31.31 30.38 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 -0.56 -1.05 5.87 5.08 -1.13 -0.70 114.58 122.09 2dhk h GLU 105 Ca 0.46 0.04 0.42 0.00 -1.00 0.00 0.00 59.36 59.28 2dhk h GLU 105 Cb 0.76 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.97 2dhk h GLU 105 CO -0.93 -0.37 0.59 0.35 -1.00 0.00 0.00 179.01 177.65 2dhk h PHE 106 N -0.58 0.79 -0.24 4.33 3.57 -0.68 1.97 116.94 126.11 2dhk h PHE 106 Ca 0.00 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 2dhk h PHE 106 Cb 0.60 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2dhk h PHE 106 CO -0.46 -0.43 -0.42 0.45 -2.23 0.00 0.00 178.31 175.22 2dhk h HIS 107 N 0.02 0.69 -0.08 0.41 3.86 -0.89 -3.13 115.15 116.03 2dhk h HIS 107 Ca 0.85 -0.20 -0.22 0.00 -1.16 0.00 0.00 60.37 59.63 2dhk h HIS 107 Cb 2.30 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 30.63 2dhk h HIS 107 CO -0.01 0.90 -0.85 -0.91 0.86 0.00 0.00 177.93 177.92 2dhk h ASN 108 N 0.47 0.77 -1.17 2.45 -0.26 0.39 -3.46 115.58 114.76 2dhk h ASN 108 Ca 0.04 -0.54 -0.53 0.00 -0.56 0.00 0.00 56.30 54.71 2dhk h ASN 108 Cb 0.92 -0.23 0.11 0.00 -1.06 0.00 0.00 38.32 38.07 2dhk h ASN 108 CO 0.08 1.33 -0.65 -1.54 -1.06 0.00 0.00 177.43 175.59 2dhk n SER 109 N -3.87 -1.86 -4.67 5.81 3.41 0.85 -4.91 113.62 108.39 2dhk n SER 109 Ca -0.07 0.77 -0.29 0.00 -0.26 0.00 0.00 58.87 59.02 2dhk n SER 109 Cb 0.78 -0.75 0.18 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.82 0.31 0.62 4.33 0.04 -1.26 -5.03 135.00 133.19 2dhk s PRO 110 Ca 0.50 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 2dhk s PRO 110 Cb -0.62 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.35 2dhk s PRO 110 CO 0.50 -2.81 0.55 -0.35 0.04 0.00 0.00 177.00 174.93 2dhk n PRO 111 N -4.22 -2.09 -1.08 0.56 -0.04 -1.26 -4.91 135.00 121.96 2dhk n PRO 111 Ca 0.05 -0.89 -0.36 0.00 -0.04 0.00 0.00 63.50 62.27 2dhk n PRO 111 Cb 0.57 -0.83 -0.01 0.00 -0.04 0.00 0.00 33.50 33.19 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 -3.95 -2.60 -1.02 0.55 0.00 -1.26 -4.93 120.51 107.30 2dhk n ALA 112 Ca -0.10 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 2dhk n ALA 112 Cb 0.30 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.61 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 0.96 -1.84 -3.40 0.00 -0.04 -1.26 -4.46 135.00 124.95 2dhk n PRO 113 Ca 0.11 -0.67 -0.19 0.00 -0.04 0.00 0.00 63.50 62.72 2dhk n PRO 113 Cb 0.27 -0.63 0.08 0.00 -0.04 0.00 0.00 33.50 33.18 2dhk n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dhk n SER 114 N -3.72 -4.21 -3.88 3.54 7.64 -1.26 -5.00 113.62 106.74 2dhk n SER 114 Ca 0.06 -0.52 -0.30 0.00 1.01 0.00 0.00 58.87 59.12 2dhk n SER 114 Cb 0.22 -4.64 0.23 0.00 -1.01 0.00 0.00 64.21 59.01 2dhk n SER 114 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dhk s GLY 115 N -3.71 1.62 0.10 0.23 0.00 -1.26 -4.98 107.32 99.32 2dhk s GLY 115 Ca 0.29 -1.00 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 2dhk s GLY 115 CO 0.66 -0.14 1.42 -0.56 0.00 0.00 0.00 173.10 174.48 2dhk h PRO 116 N -2.39 0.71 -7.03 2.90 0.13 -1.97 -3.46 132.00 120.89 2dhk h PRO 116 Ca -0.45 -0.38 -0.60 0.00 -0.87 0.00 0.00 66.00 63.71 2dhk h PRO 116 Cb 1.28 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 2dhk h PRO 116 CO 0.35 0.99 -0.89 0.43 -0.23 0.00 0.00 178.00 178.65 2dhk n SER 117 N -4.26 -1.82 -4.98 1.44 7.64 -1.26 -4.91 113.62 105.47 2dhk n SER 117 Ca -0.04 -1.17 -0.20 0.00 1.01 0.00 0.00 58.87 58.47 2dhk n SER 117 Cb 0.47 -2.00 0.02 0.00 -1.01 0.00 0.00 64.21 61.70 2dhk n SER 117 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhk s SER 118 N -3.46 5.53 0.00 6.43 0.15 -1.26 -5.30 113.70 115.79 2dhk s SER 118 Ca 0.66 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2dhk s SER 118 Cb -0.38 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2dhk s SER 118 CO 0.99 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 175.14