#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhk n SER 2 N 0.00 -2.70 -3.56 1.61 3.41 -1.26 -5.01 113.62 106.11 2dhk n SER 2 Ca 0.00 0.37 -0.20 0.00 -0.26 0.00 0.00 58.87 58.78 2dhk n SER 2 Cb 0.00 -1.11 -0.15 0.00 -0.26 0.00 0.00 64.21 62.69 2dhk n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dhk s SER 3 N -1.67 1.56 0.00 4.04 0.15 -1.26 -5.15 113.70 111.37 2dhk s SER 3 Ca 0.55 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2dhk s SER 3 Cb -0.24 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2dhk s SER 3 CO 0.68 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2dhk n GLY 4 N 5.31 0.36 3.60 9.45 0.00 -1.26 -5.10 105.19 117.56 2dhk n GLY 4 Ca -0.06 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 2dhk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhk s SER 5 N -1.00 4.42 0.13 1.61 0.15 -1.26 -5.11 113.70 112.65 2dhk s SER 5 Ca 0.00 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 55.82 2dhk s SER 5 Cb 0.00 -0.81 -0.06 0.00 -1.71 0.00 0.00 66.02 63.43 2dhk s SER 5 CO 0.00 0.09 1.03 -0.55 1.20 0.00 0.00 173.24 175.02 2dhk s SER 6 N -2.93 7.37 -0.11 5.45 0.15 -1.26 -5.04 113.70 117.34 2dhk s SER 6 Ca 0.26 1.93 -0.08 0.00 0.70 0.00 0.00 55.95 58.76 2dhk s SER 6 Cb -0.09 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2dhk s SER 6 CO 0.16 -0.16 0.17 -0.83 1.20 0.00 0.00 173.24 173.78 2dhk s GLY 7 N 0.05 2.20 0.10 9.45 0.00 -1.26 -5.06 107.32 112.80 2dhk s GLY 7 Ca 0.49 -0.59 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 2dhk s GLY 7 CO 0.32 -0.32 1.30 -1.59 0.00 0.00 0.00 173.10 172.81 2dhk s LYS 8 N -1.04 4.37 0.15 2.90 -2.85 -1.26 -4.93 119.74 117.08 2dhk s LYS 8 Ca 0.16 1.95 -0.33 0.00 -1.00 0.00 0.00 55.97 56.74 2dhk s LYS 8 Cb -0.13 -3.28 -0.17 0.00 -2.06 0.00 0.00 37.83 32.20 2dhk s LYS 8 CO 0.05 -0.34 1.07 1.17 0.10 0.00 0.00 175.35 177.39 2dhk n LYS 9 N 3.82 0.82 -3.56 1.78 4.81 -1.26 -4.92 118.16 119.65 2dhk n LYS 9 Ca 0.10 0.29 -0.41 0.00 -0.87 0.00 0.00 58.31 57.42 2dhk n LYS 9 Cb 0.44 -1.73 -0.11 0.00 0.02 0.00 0.00 35.03 33.65 2dhk n LYS 9 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dhk s LEU 10 N 0.84 4.87 0.15 3.14 2.96 -1.26 -5.06 118.68 124.33 2dhk s LEU 10 Ca 0.75 -1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2dhk s LEU 10 Cb -0.93 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 2dhk s LEU 10 CO 0.53 -0.42 0.16 0.00 -1.32 0.00 0.00 176.35 175.30 2dhk n GLY 12 N -0.16 2.88 3.76 0.00 0.00 -0.47 -5.01 105.19 106.19 2dhk n GLY 12 Ca -0.05 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 3.91 0.26 1.61 1.51 -1.26 -2.23 117.35 119.15 2dhk s TYR 13 Ca 0.00 1.71 0.01 0.00 -1.01 0.00 0.00 57.07 57.79 2dhk s TYR 13 Cb 0.00 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 38.94 2dhk s TYR 13 CO 0.00 0.45 0.10 -0.51 -1.11 0.00 0.00 175.55 174.48 2dhk s LEU 14 N -0.95 1.63 -0.33 -1.29 1.43 -0.84 -4.87 118.68 113.46 2dhk s LEU 14 Ca 0.38 -1.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.10 2dhk s LEU 14 Cb -0.24 0.03 0.08 0.00 0.03 0.00 0.00 46.19 46.10 2dhk s LEU 14 CO 0.28 -0.74 0.04 -0.44 0.23 0.00 0.00 176.35 175.72 2dhk s SER 15 N -3.32 4.83 0.13 2.29 0.01 -1.19 -1.22 113.70 115.24 2dhk s SER 15 Ca 0.38 -1.77 -0.30 0.00 1.31 0.00 0.00 55.95 55.57 2dhk s SER 15 Cb 0.08 -1.67 -0.06 0.00 0.21 0.00 0.00 66.02 64.57 2dhk s SER 15 CO 0.14 -0.35 0.98 -0.75 0.41 0.00 0.00 173.24 173.67 2dhk s LYS 16 N 1.07 4.70 0.22 12.44 2.20 -0.55 -3.11 119.74 136.70 2dhk s LYS 16 Ca 0.02 1.49 0.02 0.00 -0.36 0.00 0.00 55.97 57.15 2dhk s LYS 16 Cb -0.20 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2dhk s LYS 16 CO -0.05 0.22 0.38 0.12 -0.36 0.00 0.00 175.35 175.66 2dhk s PHE 17 N -0.12 3.48 0.00 4.03 5.36 -1.05 -0.47 117.98 129.20 2dhk s PHE 17 Ca 0.47 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 2dhk s PHE 17 Cb -0.24 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 2dhk s PHE 17 CO 0.31 0.39 0.00 0.41 -1.46 0.00 0.00 175.22 174.87 2dhk n GLY 18 N -1.00 3.11 4.73 13.12 0.00 -0.91 -4.83 105.19 119.41 2dhk n GLY 18 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.79 3.57 -0.02 0.00 -1.26 -4.40 105.19 102.28 2dhk n GLY 19 Ca 0.00 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 2dhk n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhk s LYS 20 N 0.00 3.01 0.00 1.61 2.20 -1.26 -4.86 119.74 120.44 2dhk s LYS 20 Ca 0.00 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2dhk s LYS 20 Cb 0.00 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 2dhk s LYS 20 CO 0.00 -2.28 0.00 0.41 -0.36 0.00 0.00 175.35 173.12 2dhk n GLY 21 N 5.48 3.55 0.00 5.54 0.00 -1.26 -4.97 105.19 113.53 2dhk n GLY 21 Ca 0.16 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.88 2dhk n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhk n PRO 22 N -0.92 0.27 -4.51 1.61 -0.04 -1.26 -4.75 135.00 125.40 2dhk n PRO 22 Ca 0.00 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 2dhk n PRO 22 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2dhk n PRO 22 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2dhk s ILE 23 N -2.44 1.48 -0.19 0.52 -0.00 -1.26 -5.14 121.20 114.17 2dhk s ILE 23 Ca 0.16 -2.00 -0.06 0.00 -0.00 0.00 0.00 60.65 58.75 2dhk s ILE 23 Cb 0.10 -2.87 -0.03 0.00 -0.00 0.00 0.00 42.46 39.66 2dhk s ILE 23 CO 0.21 -0.00 0.03 -0.13 -0.00 0.00 0.00 174.94 175.06 2dhk s ARG 24 N -3.83 3.78 -0.10 0.37 0.52 -1.26 -4.73 118.95 113.70 2dhk s ARG 24 Ca 0.36 -0.44 -0.25 0.00 -0.52 0.00 0.00 55.73 54.88 2dhk s ARG 24 Cb 0.09 -3.15 0.06 0.00 0.52 0.00 0.00 34.95 32.47 2dhk s ARG 24 CO 0.16 0.12 0.60 0.20 0.02 0.00 0.00 175.30 176.41 2dhk s GLY 25 N 0.74 -0.47 0.46 -3.53 0.00 -1.26 -4.83 107.32 98.43 2dhk s GLY 25 Ca 0.02 1.28 -0.21 0.00 0.00 0.00 0.00 44.72 45.81 2dhk s GLY 25 CO 0.02 0.98 1.04 -0.98 0.00 0.00 0.00 173.10 174.16 2dhk s TRP 26 N -0.74 3.07 -0.03 1.90 0.52 -1.26 -2.14 118.94 120.26 2dhk s TRP 26 Ca -0.08 1.59 -0.01 0.00 0.02 0.00 0.00 56.10 57.62 2dhk s TRP 26 Cb -0.02 -3.08 0.03 0.00 -1.15 0.00 0.00 33.47 29.25 2dhk s TRP 26 CO 0.06 -0.78 0.05 0.15 0.02 0.00 0.00 176.95 176.45 2dhk s LYS 27 N -3.04 -0.05 -0.47 4.98 3.01 0.37 -4.95 119.74 119.59 2dhk s LYS 27 Ca 0.65 0.27 -0.28 0.00 -1.01 0.00 0.00 55.97 55.60 2dhk s LYS 27 Cb -0.18 -0.33 -0.00 0.00 -1.01 0.00 0.00 37.83 36.31 2dhk s LYS 27 CO 0.22 -0.22 1.59 -1.54 0.51 0.00 0.00 175.35 175.90 2dhk s SER 28 N 1.47 5.98 0.38 2.83 1.04 -1.26 -1.49 113.70 122.64 2dhk s SER 28 Ca -0.04 0.70 0.05 0.00 0.48 0.00 0.00 55.95 57.13 2dhk s SER 28 Cb -0.13 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.39 2dhk s SER 28 CO -0.03 -1.75 0.04 -0.13 0.98 0.00 0.00 173.24 172.35 2dhk s ARG 29 N 5.66 1.83 -0.20 4.02 0.52 -0.36 -4.92 118.95 125.51 2dhk s ARG 29 Ca 0.64 -2.05 -0.05 0.00 -0.52 0.00 0.00 55.73 53.76 2dhk s ARG 29 Cb -0.15 -1.20 -0.02 0.00 0.52 0.00 0.00 34.95 34.10 2dhk s ARG 29 CO 0.29 -0.17 -0.00 -0.46 0.02 0.00 0.00 175.30 174.97 2dhk s TRP 30 N -3.03 3.04 -0.06 -0.53 -0.11 0.91 -1.99 118.94 117.17 2dhk s TRP 30 Ca 0.33 -0.43 0.05 0.00 1.22 0.00 0.00 56.10 57.26 2dhk s TRP 30 Cb 0.08 -2.07 -0.02 0.00 -1.50 0.00 0.00 33.47 29.96 2dhk s TRP 30 CO 0.15 -0.22 -0.19 -0.06 -4.62 0.00 0.00 176.95 172.02 2dhk s PHE 31 N 0.93 2.58 -0.09 5.86 0.40 -0.95 0.33 117.98 127.04 2dhk s PHE 31 Ca 0.01 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.82 2dhk s PHE 31 Cb -0.14 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.78 2dhk s PHE 31 CO 0.02 -0.02 0.26 -0.59 0.70 0.00 0.00 175.22 175.59 2dhk s PHE 32 N -0.40 -0.28 0.19 0.36 -0.12 0.89 -1.37 117.98 117.25 2dhk s PHE 32 Ca 0.04 0.67 -0.24 0.00 -0.05 0.00 0.00 56.93 57.35 2dhk s PHE 32 Cb -0.12 0.09 -0.08 0.00 -0.63 0.00 0.00 43.02 42.28 2dhk s PHE 32 CO 0.02 -0.15 0.77 -0.47 -0.05 0.00 0.00 175.22 175.33 2dhk s TYR 33 N 0.05 3.82 -0.52 3.49 5.04 -0.37 -1.24 117.35 127.62 2dhk s TYR 33 Ca -0.01 1.56 -0.03 0.00 -2.44 0.00 0.00 57.07 56.15 2dhk s TYR 33 Cb -0.02 -2.73 0.14 0.00 0.35 0.00 0.00 41.96 39.70 2dhk s TYR 33 CO 0.01 0.44 0.33 0.34 -1.34 0.00 0.00 175.55 175.33 2dhk s ASP 34 N -1.33 5.27 0.00 4.32 2.15 0.76 -4.78 116.67 123.07 2dhk s ASP 34 Ca 0.39 -2.43 0.14 0.00 0.43 0.00 0.00 52.55 51.07 2dhk s ASP 34 Cb -0.21 -1.85 0.77 0.00 -0.30 0.00 0.00 42.92 41.33 2dhk s ASP 34 CO 0.24 -0.47 1.30 -1.84 -0.17 0.00 0.00 175.17 174.23 2dhk n GLU 35 N 4.06 0.33 0.08 4.34 0.00 -1.26 -0.63 120.64 127.57 2dhk n GLU 35 Ca 0.02 0.07 -0.23 0.00 0.00 0.00 0.00 57.16 57.03 2dhk n GLU 35 Cb 0.40 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.19 2dhk n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dhk h ARG 36 N 0.00 0.39 -0.05 3.44 3.08 -1.92 -3.36 114.38 115.95 2dhk h ARG 36 Ca 0.00 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.38 2dhk h ARG 36 Cb 0.05 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2dhk h ARG 36 CO 0.00 1.32 0.00 1.63 -1.07 0.00 0.00 179.97 181.85 2dhk n LYS 37 N -3.86 2.17 -4.11 0.04 5.02 -1.05 -4.98 118.16 111.39 2dhk n LYS 37 Ca -0.19 -2.19 -0.32 0.00 -2.02 0.00 0.00 58.31 53.59 2dhk n LYS 37 Cb 0.98 -1.34 -0.02 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 -6.79 0.83 -0.41 0.00 -0.21 -0.98 -4.30 119.66 107.79 2dhk s GLN 39 Ca 0.48 -1.20 -0.14 0.00 0.02 0.00 0.00 55.36 54.52 2dhk s GLN 39 Cb -0.26 -0.40 0.04 0.00 1.00 0.00 0.00 33.01 33.39 2dhk s GLN 39 CO 0.91 0.04 0.29 -1.17 -2.12 0.00 0.00 175.29 173.24 2dhk s LEU 40 N -2.63 5.11 0.03 2.90 2.96 -0.89 -0.17 118.68 125.99 2dhk s LEU 40 Ca 0.07 -1.04 0.01 0.00 -0.22 0.00 0.00 54.13 52.94 2dhk s LEU 40 Cb -0.00 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2dhk s LEU 40 CO -0.02 -0.47 0.12 -0.31 -1.32 0.00 0.00 176.35 174.35 2dhk s TYR 41 N 1.62 3.33 -0.06 5.38 1.51 -0.37 -0.45 117.35 128.31 2dhk s TYR 41 Ca 0.04 0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.20 2dhk s TYR 41 Cb -0.20 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2dhk s TYR 41 CO 0.08 0.56 0.22 1.52 -1.11 0.00 0.00 175.55 176.82 2dhk s TYR 42 N -1.33 -0.18 0.07 2.71 -0.85 -0.88 -0.08 117.35 116.81 2dhk s TYR 42 Ca 0.28 0.42 0.01 0.00 -0.52 0.00 0.00 57.07 57.26 2dhk s TYR 42 Cb -0.12 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 2dhk s TYR 42 CO 0.20 -0.18 -0.05 -1.54 -1.52 0.00 0.00 175.55 172.45 2dhk s SER 43 N -0.33 0.83 0.43 -0.18 1.04 0.15 -1.97 113.70 113.67 2dhk s SER 43 Ca -0.04 -0.92 0.29 0.00 0.48 0.00 0.00 55.95 55.76 2dhk s SER 43 Cb -0.03 0.13 1.43 0.00 0.10 0.00 0.00 66.02 67.65 2dhk s SER 43 CO 0.01 -0.47 1.60 0.08 0.98 0.00 0.00 173.24 175.44 2dhk h ARG 44 N 3.30 0.06 -3.18 4.02 0.11 -1.91 0.26 114.38 117.03 2dhk h ARG 44 Ca -0.35 -0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.74 2dhk h ARG 44 Cb 1.16 -0.01 -0.08 0.00 1.11 0.00 0.00 29.97 32.15 2dhk h ARG 44 CO 0.61 0.04 0.12 0.95 0.10 0.00 0.00 179.97 181.78 2dhk s THR 45 N -5.32 0.01 0.31 0.08 -4.23 -1.26 -3.76 115.64 101.46 2dhk s THR 45 Ca -0.08 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.67 2dhk s THR 45 Cb 0.31 -1.72 0.07 0.00 1.34 0.00 0.00 72.50 72.49 2dhk s THR 45 CO 0.82 -0.04 1.75 0.00 -0.54 0.00 0.00 174.62 176.61 2dhk h ALA 46 N 2.10 1.18 -0.97 3.99 0.00 -1.92 -2.91 119.26 120.73 2dhk h ALA 46 Ca -0.25 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.43 2dhk h ALA 46 Cb 1.26 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 2dhk h ALA 46 CO 0.32 0.53 0.62 1.96 0.00 0.00 0.00 179.25 182.67 2dhk h GLN 47 N 0.29 0.90 -4.70 0.00 1.08 -1.97 -3.24 115.11 107.49 2dhk h GLN 47 Ca 0.04 -0.05 -0.66 0.00 -1.45 0.00 0.00 58.65 56.53 2dhk h GLN 47 Cb 0.67 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2dhk h GLN 47 CO 0.05 0.60 2.55 -0.25 -0.95 0.00 0.00 178.83 180.83 2dhk n ASP 48 N -4.59 3.80 -0.36 1.46 9.92 -1.10 -4.77 116.55 120.91 2dhk n ASP 48 Ca 0.18 -2.82 0.32 0.00 -0.53 0.00 0.00 54.79 51.94 2dhk n ASP 48 Cb 0.37 -1.58 0.56 0.00 -0.64 0.00 0.00 41.12 39.82 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 7.73 1.06 -2.09 2.24 0.00 -1.22 -4.06 120.51 124.17 2dhk n ALA 49 Ca 0.50 0.81 -0.43 0.00 0.00 0.00 0.00 53.44 54.32 2dhk n ALA 49 Cb 0.42 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -4.43 6.15 -0.08 0.00 0.02 -1.26 -4.95 114.94 110.39 2dhk s ASN 50 Ca -0.07 1.37 -0.30 0.00 -1.02 0.00 0.00 52.86 52.85 2dhk s ASN 50 Cb 0.28 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.98 2dhk s ASN 50 CO 0.70 -1.49 1.51 -2.16 0.02 0.00 0.00 177.10 175.68 2dhk s PRO 51 N 5.16 4.20 0.13 -0.60 0.04 -1.26 -4.82 135.00 137.86 2dhk s PRO 51 Ca 0.74 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.51 2dhk s PRO 51 Cb -0.22 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 2dhk s PRO 51 CO 0.32 -0.78 1.59 -0.07 0.04 0.00 0.00 177.00 178.10 2dhk h LEU 52 N 9.92 -1.21 -8.29 -3.56 3.38 -1.72 -3.46 115.31 110.37 2dhk h LEU 52 Ca -0.35 0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 2dhk h LEU 52 Cb 1.15 0.49 -0.12 0.00 0.09 0.00 0.00 40.66 42.28 2dhk h LEU 52 CO 0.96 -0.41 -0.34 -1.81 0.09 0.00 0.00 178.44 176.92 2dhk s ASP 53 N -4.87 0.03 0.13 -0.43 1.01 -1.17 -5.04 116.67 106.33 2dhk s ASP 53 Ca -0.15 -1.04 0.04 0.00 0.71 0.00 0.00 52.55 52.11 2dhk s ASP 53 Cb 0.09 0.47 -0.04 0.00 1.01 0.00 0.00 42.92 44.45 2dhk s ASP 53 CO 0.65 -0.96 -0.11 -0.94 0.21 0.00 0.00 175.17 174.02 2dhk s SER 54 N -3.04 1.72 -0.12 0.27 1.04 -1.26 -2.07 113.70 110.25 2dhk s SER 54 Ca 0.25 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 2dhk s SER 54 Cb 0.03 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.17 2dhk s SER 54 CO 0.06 -0.28 -0.03 -0.63 0.98 0.00 0.00 173.24 173.35 2dhk s ILE 55 N -2.84 0.73 -0.34 -1.02 1.09 0.40 -4.95 121.20 114.27 2dhk s ILE 55 Ca 0.12 -0.23 -0.28 0.00 -1.10 0.00 0.00 60.65 59.16 2dhk s ILE 55 Cb -0.00 -0.90 -0.04 0.00 -1.06 0.00 0.00 42.46 40.46 2dhk s ILE 55 CO 0.01 0.21 2.08 -0.62 -0.10 0.00 0.00 174.94 176.51 2dhk s ASP 56 N 1.81 5.42 0.17 3.58 -1.08 -1.26 -2.10 116.67 123.21 2dhk s ASP 56 Ca 0.03 1.42 0.03 0.00 -0.52 0.00 0.00 52.55 53.52 2dhk s ASP 56 Cb -0.14 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 2dhk s ASP 56 CO -0.07 -2.06 1.39 -0.07 0.52 0.00 0.00 175.17 174.87 2dhk h LEU 57 N 15.46 0.22 -0.91 -1.34 3.38 -1.93 -3.28 115.31 126.92 2dhk h LEU 57 Ca -0.34 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 57.63 2dhk h LEU 57 Cb 1.21 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 2dhk h LEU 57 CO 1.04 0.98 -0.23 -1.20 0.09 0.00 0.00 178.44 179.13 2dhk n SER 58 N -3.65 -0.33 -2.27 -0.43 7.64 -1.26 0.26 113.62 113.58 2dhk n SER 58 Ca -0.03 1.56 -0.28 0.00 1.01 0.00 0.00 58.87 61.12 2dhk n SER 58 Cb 0.80 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 63.56 2dhk n SER 58 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dhk n SER 59 N -5.47 5.70 -4.18 6.43 7.64 -1.25 -4.98 113.62 117.51 2dhk n SER 59 Ca 0.15 -3.76 -0.32 0.00 1.01 0.00 0.00 58.87 55.94 2dhk n SER 59 Cb 0.45 -0.57 -0.17 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.68 2.23 -0.28 -0.43 0.00 0.14 -4.33 121.76 115.42 2dhk s ALA 60 Ca 0.53 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 2dhk s ALA 60 Cb 0.43 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2dhk s ALA 60 CO -0.06 0.02 0.16 0.54 0.00 0.00 0.00 175.76 176.41 2dhk s VAL 61 N 0.74 4.94 -0.17 0.00 0.11 -0.68 -4.93 120.40 120.42 2dhk s VAL 61 Ca -0.09 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.72 2dhk s VAL 61 Cb -0.16 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2dhk s VAL 61 CO -0.00 0.23 0.63 -0.36 -3.33 0.00 0.00 175.10 172.27 2dhk s PHE 62 N 1.70 3.42 0.39 1.54 0.08 -1.26 -0.85 117.98 123.01 2dhk s PHE 62 Ca 0.06 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.13 2dhk s PHE 62 Cb -0.16 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.47 2dhk s PHE 62 CO 0.08 -0.09 0.06 0.34 -0.10 0.00 0.00 175.22 175.51 2dhk s ASP 63 N 1.06 3.05 -0.08 1.36 2.15 0.93 -4.95 116.67 120.20 2dhk s ASP 63 Ca 0.30 -1.51 0.05 0.00 0.43 0.00 0.00 52.55 51.82 2dhk s ASP 63 Cb -0.16 0.13 -0.01 0.00 -0.30 0.00 0.00 42.92 42.58 2dhk s ASP 63 CO 0.12 -0.71 -0.23 0.00 -0.17 0.00 0.00 175.17 174.17 2dhk s LYS 65 N -0.01 -0.85 0.12 0.00 -0.14 -1.05 -4.92 119.74 112.89 2dhk s LYS 65 Ca -0.08 0.05 -0.15 0.00 -1.36 0.00 0.00 55.97 54.44 2dhk s LYS 65 Cb -0.15 -1.63 -0.02 0.00 -1.68 0.00 0.00 37.83 34.35 2dhk s LYS 65 CO 0.05 -3.49 1.59 0.00 -0.76 0.00 0.00 175.35 172.74 2dhk h ALA 66 N -2.42 0.52 -0.19 5.17 0.00 -2.00 -2.79 119.26 117.54 2dhk h ALA 66 Ca -0.47 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 2dhk h ALA 66 Cb 1.30 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2dhk h ALA 66 CO 0.40 0.26 0.15 -0.40 0.00 0.00 0.00 179.25 179.66 2dhk n ASP 67 N -4.50 4.41 -0.19 0.00 5.75 -1.26 -4.43 116.55 116.33 2dhk n ASP 67 Ca -0.01 -2.49 0.17 0.00 -0.01 0.00 0.00 54.79 52.45 2dhk n ASP 67 Cb 0.26 -0.82 0.51 0.00 -1.03 0.00 0.00 41.12 40.04 2dhk n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dhk h ALA 68 N 1.52 2.16 -1.34 2.12 0.00 -1.75 -1.78 119.26 120.18 2dhk h ALA 68 Ca 0.12 0.00 0.45 0.00 0.00 0.00 0.00 54.91 55.48 2dhk h ALA 68 Cb 1.18 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 2dhk h ALA 68 CO 0.26 -0.38 0.89 -0.85 0.00 0.00 0.00 179.25 179.16 2dhk n GLU 69 N -4.48 -0.03 0.09 0.00 0.00 -1.26 0.19 120.64 115.15 2dhk n GLU 69 Ca 0.16 1.09 -0.22 0.00 0.00 0.00 0.00 57.16 58.19 2dhk n GLU 69 Cb 0.59 -2.22 -0.15 0.00 0.00 0.00 0.00 31.44 29.66 2dhk n GLU 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dhk h GLU 70 N 0.00 0.41 0.00 3.44 4.81 -1.71 -3.35 114.58 118.18 2dhk h GLU 70 Ca 0.80 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2dhk h GLU 70 Cb 2.71 0.26 0.00 0.00 0.63 0.00 0.00 28.75 32.35 2dhk h GLU 70 CO -0.34 1.34 0.00 0.41 -0.73 0.00 0.00 179.01 179.69 2dhk n GLY 71 N 1.70 0.14 3.22 1.92 0.00 0.50 -2.30 105.19 110.37 2dhk n GLY 71 Ca -0.16 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 1.53 0.34 -0.61 1.09 -1.25 0.03 121.20 122.33 2dhk s ILE 72 Ca 0.00 -1.07 0.07 0.00 -1.10 0.00 0.00 60.65 58.55 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 0.23 0.27 0.72 -0.10 0.00 0.00 174.94 176.06 2dhk s PHE 73 N -0.72 1.78 -0.12 3.97 -0.71 -0.68 -2.53 117.98 118.96 2dhk s PHE 73 Ca 0.06 -1.65 -0.09 0.00 -1.04 0.00 0.00 56.93 54.22 2dhk s PHE 73 Cb -0.08 -0.76 0.04 0.00 -1.21 0.00 0.00 43.02 41.01 2dhk s PHE 73 CO 0.01 -0.84 0.31 -1.21 -1.34 0.00 0.00 175.22 172.15 2dhk s GLU 74 N -3.44 0.32 -0.48 1.99 2.02 0.39 -3.17 118.70 116.32 2dhk s GLU 74 Ca 0.39 0.54 -0.11 0.00 0.02 0.00 0.00 54.97 55.81 2dhk s GLU 74 Cb 0.02 0.04 0.11 0.00 0.10 0.00 0.00 34.13 34.40 2dhk s GLU 74 CO 0.27 -0.11 0.37 0.42 0.02 0.00 0.00 175.26 176.24 2dhk s ILE 75 N 0.79 4.52 -0.36 -1.63 1.01 0.66 -0.05 121.20 126.14 2dhk s ILE 75 Ca -0.05 -1.61 -0.28 0.00 0.00 0.00 0.00 60.65 58.71 2dhk s ILE 75 Cb -0.06 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2dhk s ILE 75 CO -0.05 -0.74 1.03 -0.54 0.00 0.00 0.00 174.94 174.64 2dhk s LYS 76 N 1.45 3.93 0.11 2.79 3.01 -0.03 -1.26 119.74 129.74 2dhk s LYS 76 Ca 0.05 0.82 0.08 0.00 -1.01 0.00 0.00 55.97 55.90 2dhk s LYS 76 Cb -0.26 -3.79 -0.04 0.00 -1.01 0.00 0.00 37.83 32.73 2dhk s LYS 76 CO 0.01 -1.00 -0.19 0.95 0.51 0.00 0.00 175.35 175.64 2dhk s THR 77 N 3.73 1.61 -2.00 2.17 -4.23 -1.26 -1.68 115.64 113.98 2dhk s THR 77 Ca 0.43 -1.61 0.13 0.00 -1.18 0.00 0.00 61.69 59.46 2dhk s THR 77 Cb -0.11 -1.55 0.37 0.00 1.34 0.00 0.00 72.50 72.55 2dhk s THR 77 CO 0.19 -0.18 1.21 -0.81 -0.54 0.00 0.00 174.62 174.49 2dhk n PRO 78 N 0.88 0.49 -0.05 3.99 -0.04 -1.26 -3.17 135.00 135.83 2dhk n PRO 78 Ca -0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 2dhk n PRO 78 Cb 0.55 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.92 1.17 -3.59 3.54 3.41 -1.26 -5.07 113.62 110.90 2dhk n SER 79 Ca 0.10 0.10 -0.02 0.00 -0.26 0.00 0.00 58.87 58.78 2dhk n SER 79 Cb 0.05 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.47 -0.18 4.33 1.70 -1.19 -5.13 118.95 116.75 2dhk s ARG 80 Ca -0.15 0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 55.74 2dhk s ARG 80 Cb 0.05 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 2dhk s ARG 80 CO 0.19 -0.12 1.32 0.08 -1.08 0.00 0.00 175.30 175.69 2dhk s VAL 81 N 1.86 4.17 0.02 4.99 1.01 -1.26 -4.09 120.40 127.10 2dhk s VAL 81 Ca -0.08 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 2dhk s VAL 81 Cb -0.06 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2dhk s VAL 81 CO -0.17 -0.19 0.18 -0.63 0.00 0.00 0.00 175.10 174.29 2dhk s ILE 82 N 3.77 5.36 -0.32 2.22 -1.09 -0.39 -4.96 121.20 125.78 2dhk s ILE 82 Ca 0.57 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 2dhk s ILE 82 Cb -0.22 -3.54 0.10 0.00 -1.58 0.00 0.00 42.46 37.22 2dhk s ILE 82 CO 0.18 0.25 0.08 -0.89 -1.23 0.00 0.00 174.94 173.33 2dhk s THR 83 N -1.39 1.36 0.20 2.92 2.01 -1.26 -0.25 115.64 119.23 2dhk s THR 83 Ca 0.30 -1.72 0.10 0.00 0.31 0.00 0.00 61.69 60.68 2dhk s THR 83 Cb -0.13 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2dhk s THR 83 CO 0.22 -0.65 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.58 2dhk s LEU 84 N 1.37 2.72 0.13 4.42 1.43 -1.19 -2.52 118.68 125.03 2dhk s LEU 84 Ca 0.10 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2dhk s LEU 84 Cb -0.18 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2dhk s LEU 84 CO -0.19 0.10 -0.16 -1.59 0.23 0.00 0.00 176.35 174.74 2dhk s LYS 85 N -2.83 1.08 0.52 1.70 -2.85 -1.18 -1.69 119.74 114.48 2dhk s LYS 85 Ca 0.24 -1.25 0.05 0.00 -1.00 0.00 0.00 55.97 54.00 2dhk s LYS 85 Cb -0.08 -1.04 0.02 0.00 -2.06 0.00 0.00 37.83 34.66 2dhk s LYS 85 CO 0.13 0.21 0.29 0.00 0.10 0.00 0.00 175.35 176.08 2dhk s ALA 86 N -1.97 4.27 0.00 0.59 0.00 0.10 -3.18 121.76 121.58 2dhk s ALA 86 Ca 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2dhk s ALA 86 Cb -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2dhk s ALA 86 CO 0.04 -0.32 0.84 0.00 0.00 0.00 0.00 175.76 176.32 2dhk n ALA 87 N -1.60 -0.22 -2.59 0.00 0.00 -1.26 -4.67 120.51 110.18 2dhk n ALA 87 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 2dhk n ALA 87 Cb 0.65 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 2dhk n ALA 87 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dhk s THR 88 N -2.35 1.12 0.41 0.00 -4.23 -1.25 -4.69 115.64 104.65 2dhk s THR 88 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2dhk s THR 88 Cb 0.00 -2.51 0.39 0.00 1.34 0.00 0.00 72.50 71.72 2dhk s THR 88 CO 0.00 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.39 2dhk h LYS 89 N 1.74 0.40 -0.14 3.99 1.63 -1.60 0.25 116.57 122.83 2dhk h LYS 89 Ca -0.40 -0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.19 2dhk h LYS 89 Cb 1.27 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2dhk h LYS 89 CO 0.69 0.26 -0.66 1.96 -3.45 0.00 0.00 179.45 178.25 2dhk h GLN 90 N 0.41 0.54 0.32 1.90 7.50 -1.92 -2.96 115.11 120.89 2dhk h GLN 90 Ca 0.54 -0.39 -0.01 0.00 0.50 0.00 0.00 58.65 59.29 2dhk h GLN 90 Cb 1.37 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.94 2dhk h GLN 90 CO -0.24 1.01 -0.39 0.00 -1.50 0.00 0.00 178.83 177.72 2dhk h ALA 91 N 0.89 -1.02 -0.62 3.87 0.00 -0.89 -2.54 119.26 118.94 2dhk h ALA 91 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2dhk h ALA 91 Cb 1.23 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 2dhk h ALA 91 CO 0.12 -1.06 0.24 0.00 0.00 0.00 0.00 179.25 178.55 2dhk h MET 92 N -0.72 0.41 -1.11 0.00 -0.00 -1.60 -0.63 114.93 111.27 2dhk h MET 92 Ca -0.04 -0.02 0.32 0.00 -0.00 0.00 0.00 59.70 59.96 2dhk h MET 92 Cb 0.64 -0.09 -0.11 0.00 -0.00 0.00 0.00 31.60 32.04 2dhk h MET 92 CO -0.08 0.27 0.70 -0.07 -0.00 0.00 0.00 176.91 177.73 2dhk h LEU 93 N 0.42 0.41 -0.33 -0.10 3.38 -1.31 0.58 115.31 118.36 2dhk h LEU 93 Ca 0.31 0.11 -0.18 0.00 0.09 0.00 0.00 57.88 58.22 2dhk h LEU 93 Cb 0.39 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2dhk h LEU 93 CO -0.31 -0.02 -0.55 0.22 0.09 0.00 0.00 178.44 177.87 2dhk h TYR 94 N 0.30 1.04 0.18 1.13 3.20 -0.71 -2.38 116.97 119.74 2dhk h TYR 94 Ca 0.68 -0.37 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2dhk h TYR 94 Cb 1.82 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.89 2dhk h TYR 94 CO -0.00 1.19 -0.09 -1.49 -1.64 0.00 0.00 178.16 176.13 2dhk h TRP 95 N 0.63 -0.23 -0.60 -3.82 4.06 0.15 -1.63 115.95 114.52 2dhk h TRP 95 Ca 0.01 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.06 2dhk h TRP 95 Cb 1.15 0.07 -0.08 0.00 -1.00 0.00 0.00 29.16 29.31 2dhk h TRP 95 CO 0.07 0.18 0.17 -0.07 -3.56 0.00 0.00 178.44 175.24 2dhk h LEU 96 N -0.75 0.11 0.42 -4.49 3.38 -0.65 0.60 115.31 113.92 2dhk h LEU 96 Ca -0.02 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2dhk h LEU 96 Cb 0.51 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2dhk h LEU 96 CO 0.04 0.07 -0.20 -0.61 0.09 0.00 0.00 178.44 177.82 2dhk h GLN 97 N 0.33 -0.54 0.21 1.13 5.75 -1.47 -3.11 115.11 117.40 2dhk h GLN 97 Ca 0.31 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.86 2dhk h GLN 97 Cb 0.43 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 2dhk h GLN 97 CO -0.36 -0.36 -0.49 1.96 -2.65 0.00 0.00 178.83 176.93 2dhk h GLN 98 N -0.64 -0.76 -0.68 1.69 1.08 -1.16 -1.54 115.11 113.11 2dhk h GLN 98 Ca -0.06 0.05 0.28 0.00 -1.45 0.00 0.00 58.65 57.48 2dhk h GLN 98 Cb 0.43 0.17 -0.12 0.00 -0.05 0.00 0.00 27.48 27.92 2dhk h GLN 98 CO 0.09 -0.51 0.37 1.28 -0.95 0.00 0.00 178.83 179.12 2dhk n LEU 99 N -5.50 0.23 -0.01 1.46 4.77 0.21 0.20 117.00 118.36 2dhk n LEU 99 Ca -0.09 1.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.86 2dhk n LEU 99 Cb 0.42 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 2dhk n LEU 99 CO 0.19 -1.24 0.62 1.56 -1.33 0.00 0.00 177.39 177.20 2dhk h GLN 100 N 0.00 -0.02 -0.77 3.23 4.20 -1.21 -3.25 115.11 117.29 2dhk h GLN 100 Ca 0.57 0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.41 2dhk h GLN 100 Cb 1.52 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 29.18 2dhk h GLN 100 CO -0.51 0.46 -0.27 -1.33 -0.67 0.00 0.00 178.83 176.52 2dhk n MET 101 N -4.87 -0.15 0.24 1.46 2.81 0.53 0.11 117.12 117.26 2dhk n MET 101 Ca -0.08 1.20 -0.16 0.00 -1.81 0.00 0.00 57.70 56.84 2dhk n MET 101 Cb 0.25 -1.78 -0.08 0.00 -0.71 0.00 0.00 33.22 30.90 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 -0.78 0.42 0.03 1.79 -1.58 0.21 116.57 116.66 2dhk h LYS 102 Ca 0.30 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.81 2dhk h LYS 102 Cb 0.50 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2dhk h LYS 102 CO -0.78 -0.52 -0.20 -0.09 -1.08 0.00 0.00 179.45 176.78 2dhk h ARG 103 N -0.81 -0.54 -1.00 3.15 2.43 -0.36 -3.08 114.38 114.18 2dhk h ARG 103 Ca -0.03 0.04 0.36 0.00 -0.81 0.00 0.00 59.98 59.54 2dhk h ARG 103 Cb 0.73 0.12 -0.18 0.00 -0.42 0.00 0.00 29.97 30.22 2dhk h ARG 103 CO -0.08 -0.36 0.33 1.87 -1.51 0.00 0.00 179.97 180.23 2dhk n TRP 104 N -3.73 0.95 -0.13 2.20 -0.00 0.30 0.74 117.44 117.77 2dhk n TRP 104 Ca -0.07 1.19 -0.04 0.00 -0.00 0.00 0.00 57.50 58.58 2dhk n TRP 104 Cb 0.22 -1.44 0.03 0.00 -0.00 0.00 0.00 31.31 30.12 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 0.06 -0.26 5.87 5.08 -0.86 -1.85 114.58 122.62 2dhk h GLU 105 Ca 0.75 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 59.15 2dhk h GLU 105 Cb 1.84 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.03 2dhk h GLU 105 CO -0.84 0.04 -0.04 0.35 -1.00 0.00 0.00 179.01 177.52 2dhk h PHE 106 N 0.06 -0.09 -1.01 4.33 3.57 0.38 0.25 116.94 124.43 2dhk h PHE 106 Ca 0.21 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.90 2dhk h PHE 106 Cb 0.32 0.08 -0.10 0.00 2.79 0.00 0.00 35.95 39.04 2dhk h PHE 106 CO -0.32 -0.09 0.62 0.45 -2.23 0.00 0.00 178.31 176.74 2dhk h HIS 107 N 0.03 1.10 -0.04 0.41 3.86 -1.14 -1.63 115.15 117.74 2dhk h HIS 107 Ca 0.12 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.21 2dhk h HIS 107 Cb 0.18 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.32 2dhk h HIS 107 CO -0.24 0.31 -0.58 -0.91 0.86 0.00 0.00 177.93 177.37 2dhk h ASN 108 N 0.85 0.59 0.00 2.45 -0.26 -0.62 -3.44 115.58 115.15 2dhk h ASN 108 Ca 0.55 -0.71 -0.30 0.00 -0.56 0.00 0.00 56.30 55.29 2dhk h ASN 108 Cb 0.76 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 37.77 2dhk h ASN 108 CO -0.34 1.21 1.23 -1.20 -1.06 0.00 0.00 177.43 177.27 2dhk n SER 109 N -4.21 -0.23 -4.67 5.81 7.64 0.78 -4.83 113.62 113.90 2dhk n SER 109 Ca -0.09 -0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.45 2dhk n SER 109 Cb 0.65 -0.52 0.18 0.00 -1.01 0.00 0.00 64.21 63.51 2dhk n SER 109 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dhk s PRO 110 N 5.49 0.36 1.13 1.43 0.04 -1.26 -5.01 135.00 137.18 2dhk s PRO 110 Ca 0.89 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 2dhk s PRO 110 Cb -0.74 -1.73 0.25 0.00 0.04 0.00 0.00 34.50 32.33 2dhk s PRO 110 CO 0.34 -2.77 1.10 -1.25 0.04 0.00 0.00 177.00 174.46 2dhk s PRO 111 N -4.97 -0.67 0.36 0.56 0.04 -1.26 -5.00 135.00 124.06 2dhk s PRO 111 Ca 0.65 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 2dhk s PRO 111 Cb -0.19 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 2dhk s PRO 111 CO 0.58 -3.39 1.07 0.00 0.04 0.00 0.00 177.00 175.29 2dhk s ALA 112 N -2.99 3.19 -2.00 8.56 0.00 -1.26 -4.91 121.76 122.35 2dhk s ALA 112 Ca 0.69 0.77 0.11 0.00 0.00 0.00 0.00 51.96 53.53 2dhk s ALA 112 Cb -0.13 -3.29 0.68 0.00 0.00 0.00 0.00 23.12 20.38 2dhk s ALA 112 CO 0.57 -0.20 1.11 -0.35 0.00 0.00 0.00 175.76 176.88 2dhk n PRO 113 N 0.33 0.49 -1.00 0.00 -0.04 -1.26 -4.85 135.00 128.67 2dhk n PRO 113 Ca 0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 2dhk n PRO 113 Cb 0.48 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2dhk n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dhk n SER 114 N -0.87 0.43 -3.48 3.54 2.88 -1.26 -4.85 113.62 110.01 2dhk n SER 114 Ca 0.09 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2dhk n SER 114 Cb 0.04 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 62.78 2dhk n SER 114 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dhk s GLY 115 N 5.31 -0.20 0.50 0.46 0.00 -1.26 -5.16 107.32 106.96 2dhk s GLY 115 Ca 0.94 3.00 -0.21 0.00 0.00 0.00 0.00 44.72 48.44 2dhk s GLY 115 CO 0.44 3.06 1.15 2.56 0.00 0.00 0.00 173.10 180.31 2dhk s PRO 116 N 2.22 3.56 1.10 2.90 0.04 -1.26 -5.02 135.00 138.53 2dhk s PRO 116 Ca -0.04 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 2dhk s PRO 116 Cb -0.06 -2.21 0.24 0.00 0.04 0.00 0.00 34.50 32.52 2dhk s PRO 116 CO -0.17 -0.70 1.06 -1.54 0.04 0.00 0.00 177.00 175.69 2dhk s SER 117 N -1.57 1.67 -0.35 6.66 1.04 -1.26 -4.89 113.70 115.01 2dhk s SER 117 Ca 0.68 1.24 -0.28 0.00 0.48 0.00 0.00 55.95 58.07 2dhk s SER 117 Cb -0.26 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 2dhk s SER 117 CO 0.31 -3.73 1.71 -0.94 0.98 0.00 0.00 173.24 171.57 2dhk s SER 118 N -3.10 6.00 0.00 7.02 1.04 -1.26 -5.34 113.70 118.05 2dhk s SER 118 Ca 0.67 1.20 0.03 0.00 0.48 0.00 0.00 55.95 58.34 2dhk s SER 118 Cb -0.21 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.59 2dhk s SER 118 CO 0.60 -1.64 0.69 0.61 0.98 0.00 0.00 173.24 174.48