#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 5.35 0.26 1.61 1.04 -1.26 -4.99 113.70 115.71 2dhk s SER 2 Ca 0.00 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 2dhk s SER 2 Cb 0.00 -1.95 0.38 0.00 0.10 0.00 0.00 66.02 64.55 2dhk s SER 2 CO 0.00 0.03 1.57 -1.28 0.98 0.00 0.00 173.24 174.53 2dhk h SER 3 N 7.80 -0.99 0.00 7.02 0.87 -2.08 -3.47 113.55 122.70 2dhk h SER 3 Ca -0.37 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2dhk h SER 3 Cb 1.18 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2dhk h SER 3 CO 0.61 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.21 2dhk n GLY 4 N -1.57 -0.11 3.80 5.77 0.00 -1.26 -5.12 105.19 106.70 2dhk n GLY 4 Ca 0.13 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 6.50 -0.96 1.61 0.01 -1.26 -4.94 113.70 110.65 2dhk s SER 5 Ca 0.00 1.93 -0.24 0.00 1.31 0.00 0.00 55.95 58.95 2dhk s SER 5 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 2dhk s SER 5 CO 0.00 -0.67 1.72 -0.94 0.41 0.00 0.00 173.24 173.76 2dhk s SER 6 N -1.90 5.76 0.00 2.44 1.04 -1.26 -4.73 113.70 115.04 2dhk s SER 6 Ca 0.65 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2dhk s SER 6 Cb -0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2dhk s SER 6 CO 0.21 -2.19 0.00 0.61 0.98 0.00 0.00 173.24 172.85 2dhk n GLY 7 N 6.84 4.07 2.14 7.32 0.00 -1.26 -4.91 105.19 119.40 2dhk n GLY 7 Ca 0.37 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.23 2.04 -3.41 1.61 3.00 -1.26 -4.91 118.16 114.00 2dhk n LYS 8 Ca 0.00 -1.62 -0.37 0.00 -0.00 0.00 0.00 58.31 56.31 2dhk n LYS 8 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 35.03 33.08 2dhk n LYS 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2dhk s LYS 9 N -0.91 4.30 -0.29 1.64 1.02 -1.26 -4.96 119.74 119.28 2dhk s LYS 9 Ca 0.49 0.30 -0.00 0.00 0.02 0.00 0.00 55.97 56.78 2dhk s LYS 9 Cb 0.30 -3.43 0.09 0.00 -0.52 0.00 0.00 37.83 34.27 2dhk s LYS 9 CO -0.10 0.18 0.06 -1.17 -0.92 0.00 0.00 175.35 173.41 2dhk s LEU 10 N 0.58 2.53 0.04 3.17 2.96 -1.26 -5.10 118.68 121.60 2dhk s LEU 10 Ca 0.22 -1.55 -0.05 0.00 -0.22 0.00 0.00 54.13 52.53 2dhk s LEU 10 Cb -0.14 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 2dhk s LEU 10 CO 0.07 -0.37 0.07 0.00 -1.32 0.00 0.00 176.35 174.81 2dhk n GLY 12 N 0.68 1.67 3.77 0.00 0.00 -0.69 -5.02 105.19 105.60 2dhk n GLY 12 Ca -0.18 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 3.88 0.23 1.61 1.51 -1.26 -2.58 117.35 118.75 2dhk s TYR 13 Ca 0.00 1.80 0.00 0.00 -1.01 0.00 0.00 57.07 57.86 2dhk s TYR 13 Cb 0.00 -2.90 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 2dhk s TYR 13 CO 0.00 0.41 0.13 -0.51 -1.11 0.00 0.00 175.55 174.47 2dhk s LEU 14 N -1.42 1.35 -0.23 -1.29 1.43 -0.71 -4.85 118.68 112.95 2dhk s LEU 14 Ca 0.42 -1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2dhk s LEU 14 Cb -0.23 0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.28 2dhk s LEU 14 CO 0.28 -0.82 -0.08 -0.44 0.23 0.00 0.00 176.35 175.52 2dhk s SER 15 N -3.23 4.14 -0.10 2.29 0.01 -1.20 -1.62 113.70 113.99 2dhk s SER 15 Ca 0.39 -0.77 -0.25 0.00 1.31 0.00 0.00 55.95 56.63 2dhk s SER 15 Cb 0.07 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 2dhk s SER 15 CO 0.14 -0.09 0.77 -0.75 0.41 0.00 0.00 173.24 173.72 2dhk s LYS 16 N 1.34 4.39 0.27 12.44 2.20 -0.81 -2.87 119.74 136.70 2dhk s LYS 16 Ca 0.02 0.98 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 2dhk s LYS 16 Cb -0.16 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 2dhk s LYS 16 CO -0.06 -0.10 0.54 0.12 -0.36 0.00 0.00 175.35 175.50 2dhk s PHE 17 N 1.33 3.47 0.00 4.03 5.36 -0.94 -1.46 117.98 129.78 2dhk s PHE 17 Ca 0.39 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 2dhk s PHE 17 Cb -0.18 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 2dhk s PHE 17 CO 0.17 0.20 0.00 0.41 -1.46 0.00 0.00 175.22 174.54 2dhk n GLY 18 N -0.78 0.49 0.00 13.12 0.00 -1.25 -4.79 105.19 111.99 2dhk n GLY 18 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.03 3.68 -0.02 0.00 -1.26 -4.73 105.19 102.89 2dhk n GLY 19 Ca 0.00 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 4.34 0.00 1.61 2.36 -1.26 -4.90 119.74 121.88 2dhk s LYS 20 Ca 0.00 1.59 0.00 0.00 -2.55 0.00 0.00 55.97 55.01 2dhk s LYS 20 Cb 0.00 -3.60 0.00 0.00 -1.05 0.00 0.00 37.83 33.18 2dhk s LYS 20 CO 0.00 -0.48 0.00 0.41 1.55 0.00 0.00 175.35 176.83 2dhk n GLY 21 N 3.36 4.48 0.00 5.54 0.00 -1.26 -4.90 105.19 112.41 2dhk n GLY 21 Ca 0.11 -1.31 0.07 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.82 0.12 -4.40 1.61 -0.04 -1.26 -4.75 135.00 124.47 2dhk n PRO 22 Ca 0.00 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 2dhk n PRO 22 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.75 1.50 -0.26 0.52 -0.00 -1.26 -5.13 121.20 113.82 2dhk s ILE 23 Ca 0.11 -2.11 -0.06 0.00 -0.00 0.00 0.00 60.65 58.59 2dhk s ILE 23 Cb 0.10 -2.38 -0.01 0.00 -0.00 0.00 0.00 42.46 40.17 2dhk s ILE 23 CO 0.24 -0.34 0.04 -0.13 -0.00 0.00 0.00 174.94 174.75 2dhk s ARG 24 N -3.75 3.34 -0.13 0.37 0.52 -1.26 -4.77 118.95 113.26 2dhk s ARG 24 Ca 0.28 -0.68 -0.16 0.00 -0.52 0.00 0.00 55.73 54.66 2dhk s ARG 24 Cb 0.04 -3.24 0.04 0.00 0.52 0.00 0.00 34.95 32.31 2dhk s ARG 24 CO 0.10 -0.29 0.42 0.20 0.02 0.00 0.00 175.30 175.75 2dhk s GLY 25 N 1.52 -0.30 0.68 -3.53 0.00 -1.26 -4.83 107.32 99.59 2dhk s GLY 25 Ca 0.05 1.04 -0.16 0.00 0.00 0.00 0.00 44.72 45.65 2dhk s GLY 25 CO 0.01 0.86 1.20 -0.98 0.00 0.00 0.00 173.10 174.19 2dhk s TRP 26 N -0.13 2.22 -0.03 1.90 0.52 -1.26 -3.78 118.94 118.37 2dhk s TRP 26 Ca -0.03 1.56 -0.01 0.00 0.02 0.00 0.00 56.10 57.64 2dhk s TRP 26 Cb -0.03 -3.45 0.03 0.00 -1.15 0.00 0.00 33.47 28.86 2dhk s TRP 26 CO 0.02 -2.41 0.07 0.21 0.02 0.00 0.00 176.95 174.86 2dhk s LYS 27 N -3.73 0.03 -0.04 4.98 2.47 -0.54 -4.93 119.74 117.98 2dhk s LYS 27 Ca 0.75 0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 55.08 2dhk s LYS 27 Cb -0.29 -0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 35.87 2dhk s LYS 27 CO 0.41 -0.13 1.65 -1.54 0.16 0.00 0.00 175.35 175.91 2dhk s SER 28 N 0.84 6.66 0.04 1.43 1.04 -1.26 -1.93 113.70 120.52 2dhk s SER 28 Ca -0.07 2.27 0.01 0.00 0.48 0.00 0.00 55.95 58.64 2dhk s SER 28 Cb -0.09 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 2dhk s SER 28 CO -0.03 -0.92 -0.05 -0.60 0.98 0.00 0.00 173.24 172.62 2dhk s ARG 29 N 3.84 0.51 -0.34 4.02 6.06 -0.64 -4.96 118.95 127.45 2dhk s ARG 29 Ca 0.74 -0.90 -0.12 0.00 -2.50 0.00 0.00 55.73 52.94 2dhk s ARG 29 Cb -0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 34.95 34.64 2dhk s ARG 29 CO 0.30 -0.03 0.22 -0.46 -2.50 0.00 0.00 175.30 172.83 2dhk s TRP 30 N -2.35 3.22 -0.08 5.12 -0.00 0.96 -1.74 118.94 124.07 2dhk s TRP 30 Ca -0.05 -0.29 -0.02 0.00 -0.00 0.00 0.00 56.10 55.75 2dhk s TRP 30 Cb -0.03 -2.45 -0.03 0.00 -0.00 0.00 0.00 33.47 30.95 2dhk s TRP 30 CO -0.03 -0.38 0.01 -0.06 -0.00 0.00 0.00 176.95 176.48 2dhk s PHE 31 N 1.70 3.16 -0.17 5.86 0.40 -1.06 0.34 117.98 128.21 2dhk s PHE 31 Ca 0.06 0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.50 2dhk s PHE 31 Cb -0.17 -1.78 0.07 0.00 0.51 0.00 0.00 43.02 41.64 2dhk s PHE 31 CO 0.10 0.48 0.39 -0.59 0.70 0.00 0.00 175.22 176.29 2dhk s PHE 32 N -0.91 -0.62 0.35 0.36 -0.12 0.12 -1.71 117.98 115.46 2dhk s PHE 32 Ca 0.14 1.29 -0.25 0.00 -0.05 0.00 0.00 56.93 58.06 2dhk s PHE 32 Cb -0.11 0.24 -0.10 0.00 -0.63 0.00 0.00 43.02 42.42 2dhk s PHE 32 CO 0.03 -0.37 0.99 -0.47 -0.05 0.00 0.00 175.22 175.35 2dhk s TYR 33 N 1.78 3.51 -0.36 3.49 5.04 -0.70 -1.54 117.35 128.58 2dhk s TYR 33 Ca -0.07 1.72 -0.01 0.00 -2.44 0.00 0.00 57.07 56.27 2dhk s TYR 33 Cb -0.10 -3.01 0.09 0.00 0.35 0.00 0.00 41.96 39.29 2dhk s TYR 33 CO -0.12 -0.15 0.10 0.34 -1.34 0.00 0.00 175.55 174.38 2dhk s ASP 34 N -1.59 5.04 0.00 4.32 -1.08 0.19 -4.76 116.67 118.78 2dhk s ASP 34 Ca 0.53 -1.75 0.16 0.00 -0.52 0.00 0.00 52.55 50.97 2dhk s ASP 34 Cb -0.20 -1.75 0.96 0.00 -1.46 0.00 0.00 42.92 40.47 2dhk s ASP 34 CO 0.25 -0.41 1.47 -1.84 0.52 0.00 0.00 175.17 175.17 2dhk n GLU 35 N 4.55 0.78 -0.07 4.34 0.00 -1.26 -1.15 120.64 127.83 2dhk n GLU 35 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.98 2dhk n GLU 35 Cb 0.42 -1.32 -0.14 0.00 0.00 0.00 0.00 31.44 30.39 2dhk n GLU 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dhk n ARG 36 N -0.82 0.68 -0.05 3.44 1.74 -1.26 -4.41 116.66 115.98 2dhk n ARG 36 Ca 0.12 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.40 2dhk n ARG 36 Cb 0.06 -1.63 0.07 0.00 -1.02 0.00 0.00 32.46 29.94 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 -3.03 2.26 -4.29 5.56 5.02 -1.13 -4.99 118.16 117.56 2dhk n LYS 37 Ca -0.30 -2.02 -0.34 0.00 -2.02 0.00 0.00 58.31 53.63 2dhk n LYS 37 Cb 1.08 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 34.78 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 -7.10 0.62 -0.43 0.00 -0.21 -1.08 -4.25 119.66 107.21 2dhk s GLN 39 Ca 0.38 -1.22 -0.13 0.00 0.02 0.00 0.00 55.36 54.41 2dhk s GLN 39 Cb -0.22 0.19 0.05 0.00 1.00 0.00 0.00 33.01 34.03 2dhk s GLN 39 CO 0.97 -0.10 0.31 -1.17 -2.12 0.00 0.00 175.29 173.17 2dhk s LEU 40 N -2.90 5.22 -0.01 2.90 2.96 -0.53 -0.64 118.68 125.67 2dhk s LEU 40 Ca 0.07 -1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 52.78 2dhk s LEU 40 Cb 0.08 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2dhk s LEU 40 CO -0.10 -0.52 0.11 -0.31 -1.32 0.00 0.00 176.35 174.21 2dhk s TYR 41 N 1.59 3.36 -0.01 5.38 1.51 -0.59 -0.31 117.35 128.28 2dhk s TYR 41 Ca 0.04 0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 56.26 2dhk s TYR 41 Cb -0.22 -1.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2dhk s TYR 41 CO 0.07 0.58 0.19 1.52 -1.11 0.00 0.00 175.55 176.79 2dhk s TYR 42 N -1.21 -0.04 0.17 2.71 -0.85 -0.77 0.16 117.35 117.52 2dhk s TYR 42 Ca 0.23 0.04 0.03 0.00 -0.52 0.00 0.00 57.07 56.85 2dhk s TYR 42 Cb -0.12 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.21 2dhk s TYR 42 CO 0.14 -0.29 0.17 -1.13 -1.52 0.00 0.00 175.55 172.92 2dhk n SER 43 N 1.60 -0.45 -0.22 -0.18 3.41 0.15 -0.60 113.62 117.33 2dhk n SER 43 Ca -0.21 -2.09 -0.08 0.00 -0.26 0.00 0.00 58.87 56.23 2dhk n SER 43 Cb 0.56 0.97 0.03 0.00 -0.26 0.00 0.00 64.21 65.51 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 1.02 -4.01 4.33 3.08 -1.90 0.27 114.38 117.17 2dhk h ARG 44 Ca -0.12 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.53 2dhk h ARG 44 Cb 0.61 -0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.43 2dhk h ARG 44 CO 0.18 0.95 -0.31 0.95 -1.07 0.00 0.00 179.97 180.67 2dhk s THR 45 N -5.23 0.00 -0.25 2.04 -4.23 -1.26 -3.96 115.64 102.75 2dhk s THR 45 Ca -0.12 -1.64 0.28 0.00 -1.18 0.00 0.00 61.69 59.03 2dhk s THR 45 Cb 0.13 -2.32 0.34 0.00 1.34 0.00 0.00 72.50 71.99 2dhk s THR 45 CO 0.83 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.72 2dhk h ALA 46 N 2.39 1.00 0.00 3.99 0.00 -1.93 -3.00 119.26 121.71 2dhk h ALA 46 Ca -0.30 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2dhk h ALA 46 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2dhk h ALA 46 CO 0.42 0.00 -0.81 1.96 0.00 0.00 0.00 179.25 180.82 2dhk h GLN 47 N 0.00 0.01 -4.22 0.00 1.08 -2.00 -3.37 115.11 106.60 2dhk h GLN 47 Ca 0.00 -0.01 -0.68 0.00 -1.45 0.00 0.00 58.65 56.51 2dhk h GLN 47 Cb 0.66 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2dhk h GLN 47 CO 0.00 0.81 2.78 -0.25 -0.95 0.00 0.00 178.83 181.22 2dhk n ASP 48 N -3.58 3.35 -0.26 1.46 8.00 -1.14 -4.76 116.55 119.62 2dhk n ASP 48 Ca -0.01 -2.78 0.25 0.00 0.71 0.00 0.00 54.79 52.96 2dhk n ASP 48 Cb 0.78 -1.45 0.44 0.00 -0.02 0.00 0.00 41.12 40.87 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 6.73 0.81 -2.21 2.24 0.00 -1.26 -3.96 120.51 122.87 2dhk n ALA 49 Ca 0.51 0.70 -0.43 0.00 0.00 0.00 0.00 53.44 54.22 2dhk n ALA 49 Cb 0.40 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 -4.57 6.29 0.27 0.00 0.02 -1.26 -4.98 114.94 110.71 2dhk s ASN 50 Ca -0.06 1.23 -0.29 0.00 -1.02 0.00 0.00 52.86 52.71 2dhk s ASN 50 Cb 0.24 -2.53 -0.10 0.00 0.02 0.00 0.00 41.25 38.88 2dhk s ASN 50 CO 0.57 -1.40 1.26 -2.16 0.02 0.00 0.00 177.10 175.39 2dhk s PRO 51 N 4.92 4.44 -0.03 -0.60 0.04 -1.25 -4.84 135.00 137.68 2dhk s PRO 51 Ca 0.68 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.56 2dhk s PRO 51 Cb -0.19 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 31.05 2dhk s PRO 51 CO 0.31 -0.12 0.97 -0.07 0.04 0.00 0.00 177.00 178.13 2dhk h LEU 52 N 4.25 -0.32 -7.91 -3.56 3.38 -1.20 -3.48 115.31 106.48 2dhk h LEU 52 Ca -0.47 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.18 2dhk h LEU 52 Cb 1.22 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.89 2dhk h LEU 52 CO 0.70 0.14 -0.50 -1.81 0.09 0.00 0.00 178.44 177.07 2dhk s ASP 53 N -5.20 0.19 0.15 -0.43 1.01 -1.07 -5.02 116.67 106.31 2dhk s ASP 53 Ca -0.12 -0.61 0.09 0.00 0.71 0.00 0.00 52.55 52.61 2dhk s ASP 53 Cb 0.01 0.26 -0.04 0.00 1.01 0.00 0.00 42.92 44.16 2dhk s ASP 53 CO 0.46 -0.58 -0.19 -0.94 0.21 0.00 0.00 175.17 174.13 2dhk s SER 54 N -2.40 2.67 -0.11 0.27 1.04 -1.26 -1.84 113.70 112.07 2dhk s SER 54 Ca -0.01 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 2dhk s SER 54 Cb 0.02 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.01 2dhk s SER 54 CO -0.07 -0.00 -0.04 -0.63 0.98 0.00 0.00 173.24 173.48 2dhk s ILE 55 N -1.78 0.76 -0.29 -1.02 1.09 0.58 -4.94 121.20 115.59 2dhk s ILE 55 Ca 0.13 -0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 59.20 2dhk s ILE 55 Cb -0.07 -0.88 -0.02 0.00 -1.06 0.00 0.00 42.46 40.42 2dhk s ILE 55 CO 0.06 0.25 1.80 -0.62 -0.10 0.00 0.00 174.94 176.33 2dhk s ASP 56 N 1.81 5.96 0.35 3.58 2.15 -1.26 -1.46 116.67 127.80 2dhk s ASP 56 Ca 0.04 1.44 0.21 0.00 0.43 0.00 0.00 52.55 54.67 2dhk s ASP 56 Cb -0.13 -2.53 0.21 0.00 -0.30 0.00 0.00 42.92 40.17 2dhk s ASP 56 CO -0.07 -1.63 1.43 -0.07 -0.17 0.00 0.00 175.17 174.67 2dhk h LEU 57 N 13.33 0.00 -0.86 -1.34 3.38 -1.93 -3.31 115.31 124.58 2dhk h LEU 57 Ca -0.35 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.77 2dhk h LEU 57 Cb 1.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2dhk h LEU 57 CO 1.02 0.09 -0.33 -1.28 0.09 0.00 0.00 178.44 178.04 2dhk h SER 58 N 0.00 -1.19 -0.57 -0.43 0.87 -1.89 0.75 113.55 111.10 2dhk h SER 58 Ca -0.01 0.28 -0.35 0.00 -1.23 0.00 0.00 61.79 60.48 2dhk h SER 58 Cb 1.08 0.65 -0.22 0.00 -0.44 0.00 0.00 62.40 63.47 2dhk h SER 58 CO 0.01 -0.29 -0.06 -1.20 -0.53 0.00 0.00 176.83 174.76 2dhk n SER 59 N -5.49 3.82 -4.71 6.23 7.64 -1.26 -4.94 113.62 114.91 2dhk n SER 59 Ca 0.10 -3.78 -0.33 0.00 1.01 0.00 0.00 58.87 55.86 2dhk n SER 59 Cb 0.40 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 62.88 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 -3.42 3.36 -0.19 -0.43 0.00 0.25 -4.42 121.76 116.92 2dhk s ALA 60 Ca 0.50 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2dhk s ALA 60 Cb 0.43 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 22.14 2dhk s ALA 60 CO 0.01 0.64 -0.18 0.54 0.00 0.00 0.00 175.76 176.77 2dhk s VAL 61 N -1.06 2.00 -0.10 0.00 0.11 -0.23 -4.95 120.40 116.17 2dhk s VAL 61 Ca 0.19 -0.99 -0.19 0.00 -2.93 0.00 0.00 61.98 58.06 2dhk s VAL 61 Cb -0.12 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 2dhk s VAL 61 CO 0.09 0.45 0.52 -0.36 -3.33 0.00 0.00 175.10 172.48 2dhk s PHE 62 N 1.30 3.54 0.37 1.54 0.08 -1.26 -0.26 117.98 123.29 2dhk s PHE 62 Ca 0.03 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.10 2dhk s PHE 62 Cb -0.14 -2.59 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 2dhk s PHE 62 CO -0.12 0.18 0.12 0.34 -0.10 0.00 0.00 175.22 175.64 2dhk s ASP 63 N 0.55 2.42 0.00 1.36 2.15 0.10 -4.95 116.67 118.30 2dhk s ASP 63 Ca 0.28 -1.58 0.04 0.00 0.43 0.00 0.00 52.55 51.73 2dhk s ASP 63 Cb -0.16 0.34 -0.03 0.00 -0.30 0.00 0.00 42.92 42.77 2dhk s ASP 63 CO 0.12 -0.84 -0.11 0.00 -0.17 0.00 0.00 175.17 174.17 2dhk n LYS 65 N 1.68 -1.32 -0.06 0.00 4.76 -0.84 -4.90 118.16 117.48 2dhk n LYS 65 Ca -0.16 -1.73 -0.15 0.00 -2.87 0.00 0.00 58.31 53.40 2dhk n LYS 65 Cb 0.52 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.45 2dhk n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dhk h ALA 66 N -1.92 0.32 -0.43 7.82 0.00 -2.00 -3.12 119.26 119.93 2dhk h ALA 66 Ca -0.37 -0.46 -0.25 0.00 0.00 0.00 0.00 54.91 53.83 2dhk h ALA 66 Cb 1.02 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2dhk h ALA 66 CO 0.26 0.44 0.32 -0.25 0.00 0.00 0.00 179.25 180.02 2dhk n ASP 67 N -4.22 4.63 0.20 0.00 8.00 -1.26 -4.50 116.55 119.39 2dhk n ASP 67 Ca -0.06 -2.82 0.17 0.00 0.71 0.00 0.00 54.79 52.79 2dhk n ASP 67 Cb 0.55 -0.83 0.71 0.00 -0.02 0.00 0.00 41.12 41.53 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 1.51 1.82 -0.98 2.24 0.00 -1.80 -0.99 119.26 121.05 2dhk h ALA 68 Ca 0.27 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.45 2dhk h ALA 68 Cb 1.42 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2dhk h ALA 68 CO 0.56 -0.61 0.88 1.05 0.00 0.00 0.00 179.25 181.14 2dhk h GLU 69 N 0.00 0.00 0.09 0.00 4.11 -1.90 0.18 114.58 117.07 2dhk h GLU 69 Ca 0.11 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.20 2dhk h GLU 69 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2dhk h GLU 69 CO -0.00 0.00 -1.89 -1.91 0.07 0.00 0.00 179.01 175.27 2dhk n GLU 70 N -3.75 0.72 0.00 1.06 2.13 -0.38 -4.43 120.64 115.99 2dhk n GLU 70 Ca 0.21 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.35 2dhk n GLU 70 Cb 1.20 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 31.21 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 1.89 0.14 3.22 8.31 0.00 0.63 -2.35 105.19 117.03 2dhk n GLY 71 Ca -0.33 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 1.69 0.37 -0.61 1.09 -1.26 0.34 121.20 122.83 2dhk s ILE 72 Ca 0.00 -0.90 0.06 0.00 -1.10 0.00 0.00 60.65 58.71 2dhk s ILE 72 Cb 0.00 -1.42 -0.03 0.00 -1.06 0.00 0.00 42.46 39.96 2dhk s ILE 72 CO 0.00 0.48 0.21 0.72 -0.10 0.00 0.00 174.94 176.25 2dhk s PHE 73 N -0.34 1.76 -0.14 3.97 -0.71 -0.69 -1.99 117.98 119.84 2dhk s PHE 73 Ca 0.04 -1.49 -0.09 0.00 -1.04 0.00 0.00 56.93 54.34 2dhk s PHE 73 Cb -0.10 -0.92 0.05 0.00 -1.21 0.00 0.00 43.02 40.84 2dhk s PHE 73 CO 0.00 -0.61 0.35 -1.21 -1.34 0.00 0.00 175.22 172.42 2dhk s GLU 74 N -3.58 0.36 -0.47 1.99 2.02 0.12 -2.92 118.70 116.22 2dhk s GLU 74 Ca 0.32 0.60 -0.11 0.00 0.02 0.00 0.00 54.97 55.81 2dhk s GLU 74 Cb 0.02 0.05 0.11 0.00 0.10 0.00 0.00 34.13 34.40 2dhk s GLU 74 CO 0.21 -0.11 0.35 0.42 0.02 0.00 0.00 175.26 176.14 2dhk s ILE 75 N 0.87 4.43 -0.29 -1.63 1.01 0.65 0.01 121.20 126.26 2dhk s ILE 75 Ca -0.06 -1.59 -0.28 0.00 0.00 0.00 0.00 60.65 58.73 2dhk s ILE 75 Cb -0.06 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2dhk s ILE 75 CO -0.06 -0.70 1.00 -0.54 0.00 0.00 0.00 174.94 174.63 2dhk s LYS 76 N 1.43 4.11 0.11 2.79 3.01 0.64 -1.87 119.74 129.98 2dhk s LYS 76 Ca 0.04 1.06 0.06 0.00 -1.01 0.00 0.00 55.97 56.12 2dhk s LYS 76 Cb -0.26 -3.70 -0.04 0.00 -1.01 0.00 0.00 37.83 32.83 2dhk s LYS 76 CO 0.01 -0.75 -0.14 0.95 0.51 0.00 0.00 175.35 175.93 2dhk s THR 77 N 3.34 1.28 -2.00 2.17 -4.23 -1.26 -1.06 115.64 113.87 2dhk s THR 77 Ca 0.42 -1.67 0.11 0.00 -1.18 0.00 0.00 61.69 59.37 2dhk s THR 77 Cb -0.14 -1.47 0.30 0.00 1.34 0.00 0.00 72.50 72.54 2dhk s THR 77 CO 0.11 -0.41 1.07 -0.81 -0.54 0.00 0.00 174.62 174.05 2dhk n PRO 78 N 0.61 0.49 -0.05 3.99 -0.04 -1.26 -3.26 135.00 135.48 2dhk n PRO 78 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 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 0.43 -0.04 0.00 0.00 175.50 175.89 2dhk n SER 79 N -0.84 1.06 -3.64 3.54 7.64 -1.26 -5.08 113.62 115.04 2dhk n SER 79 Ca 0.08 0.18 -0.05 0.00 1.01 0.00 0.00 58.87 60.08 2dhk n SER 79 Cb 0.04 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.29 0.55 -0.04 1.43 1.70 -1.20 -5.14 118.95 113.96 2dhk s ARG 80 Ca -0.17 0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 55.69 2dhk s ARG 80 Cb 0.06 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 2dhk s ARG 80 CO 0.22 -0.11 1.25 0.08 -1.08 0.00 0.00 175.30 175.67 2dhk s VAL 81 N 1.31 4.11 -0.08 4.99 1.01 -1.26 -4.12 120.40 126.36 2dhk s VAL 81 Ca -0.08 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.35 2dhk s VAL 81 Cb -0.04 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2dhk s VAL 81 CO -0.15 -0.00 -0.06 -0.63 0.00 0.00 0.00 175.10 174.26 2dhk s ILE 82 N 2.26 3.80 -0.37 2.22 -1.09 -0.78 -4.99 121.20 122.25 2dhk s ILE 82 Ca 0.58 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.59 2dhk s ILE 82 Cb -0.26 -2.57 0.11 0.00 -1.58 0.00 0.00 42.46 38.16 2dhk s ILE 82 CO 0.23 0.59 0.10 -0.89 -1.23 0.00 0.00 174.94 173.74 2dhk s THR 83 N -0.72 2.12 0.06 2.92 2.01 -1.26 -0.25 115.64 120.52 2dhk s THR 83 Ca 0.11 -2.41 0.07 0.00 0.31 0.00 0.00 61.69 59.77 2dhk s THR 83 Cb -0.11 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2dhk s THR 83 CO 0.02 -0.66 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.36 2dhk s LEU 84 N 0.75 2.66 0.04 4.42 1.43 -1.15 -2.21 118.68 124.63 2dhk s LEU 84 Ca 0.12 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 2dhk s LEU 84 Cb -0.20 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2dhk s LEU 84 CO -0.08 0.24 -0.23 -1.59 0.23 0.00 0.00 176.35 174.91 2dhk s LYS 85 N -1.62 1.92 0.39 1.70 -2.85 -1.14 -1.70 119.74 116.43 2dhk s LYS 85 Ca 0.16 -1.05 0.01 0.00 -1.00 0.00 0.00 55.97 54.09 2dhk s LYS 85 Cb -0.11 -2.06 0.07 0.00 -2.06 0.00 0.00 37.83 33.68 2dhk s LYS 85 CO 0.07 0.53 0.53 0.00 0.10 0.00 0.00 175.35 176.57 2dhk n ALA 86 N 1.73 0.27 0.04 0.59 0.00 0.15 -3.27 120.51 120.03 2dhk n ALA 86 Ca -0.17 -1.12 -0.02 0.00 0.00 0.00 0.00 53.44 52.14 2dhk n ALA 86 Cb 0.52 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 20.18 2dhk n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhk h ALA 87 N -0.31 -0.77 -4.53 0.00 0.00 -1.88 -3.44 119.26 108.32 2dhk h ALA 87 Ca -0.18 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 2dhk h ALA 87 Cb 0.69 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2dhk h ALA 87 CO 0.20 -0.76 -0.26 0.25 0.00 0.00 0.00 179.25 178.68 2dhk n THR 88 N -2.35 0.00 -0.25 0.00 -2.24 -1.26 -4.75 114.28 103.43 2dhk n THR 88 Ca -0.01 -1.31 -0.06 0.00 -2.27 0.00 0.00 64.05 60.40 2dhk n THR 88 Cb 0.04 0.30 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.99 0.00 -0.78 1.63 -1.68 -1.96 116.57 114.77 2dhk h LYS 89 Ca -0.22 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.43 2dhk h LYS 89 Cb 0.69 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2dhk h LYS 89 CO 0.37 0.74 -0.13 1.96 -3.45 0.00 0.00 179.45 178.94 2dhk h GLN 90 N 0.97 0.00 0.49 1.90 4.20 -1.94 -3.15 115.11 117.58 2dhk h GLN 90 Ca 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2dhk h GLN 90 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2dhk h GLN 90 CO -0.04 0.13 -0.24 0.00 -0.67 0.00 0.00 178.83 178.01 2dhk h ALA 91 N 1.87 -1.02 -0.45 3.87 0.00 -1.74 -3.06 119.26 118.73 2dhk h ALA 91 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.85 2dhk h ALA 91 Cb 0.77 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2dhk h ALA 91 CO 0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 179.25 178.29 2dhk h MET 92 N -0.76 0.10 -1.30 0.00 -0.00 -1.61 -0.40 114.93 110.96 2dhk h MET 92 Ca -0.07 -0.01 0.42 0.00 -0.00 0.00 0.00 59.70 60.04 2dhk h MET 92 Cb 0.51 -0.02 -0.12 0.00 -0.00 0.00 0.00 31.60 31.96 2dhk h MET 92 CO 0.11 0.07 0.84 -0.07 -0.00 0.00 0.00 176.91 177.86 2dhk h LEU 93 N 0.10 0.26 -0.31 -0.10 3.38 -1.58 1.15 115.31 118.21 2dhk h LEU 93 Ca 0.23 0.13 -0.19 0.00 0.09 0.00 0.00 57.88 58.13 2dhk h LEU 93 Cb 0.33 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dhk h LEU 93 CO -0.38 -0.15 -0.63 0.22 0.09 0.00 0.00 178.44 177.60 2dhk h TYR 94 N 0.12 0.99 -0.04 1.13 3.20 -0.96 -1.83 116.97 119.57 2dhk h TYR 94 Ca 0.79 -0.38 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 2dhk h TYR 94 Cb 2.47 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 40.57 2dhk h TYR 94 CO -0.00 1.19 -0.03 -1.49 -1.64 0.00 0.00 178.16 176.19 2dhk h TRP 95 N 0.57 0.11 -0.55 -3.82 4.06 0.13 0.03 115.95 116.48 2dhk h TRP 95 Ca -0.01 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 2dhk h TRP 95 Cb 1.23 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 29.34 2dhk h TRP 95 CO 0.07 0.51 0.34 -0.07 -3.56 0.00 0.00 178.44 175.74 2dhk h LEU 96 N -0.33 0.65 0.30 -4.49 3.38 -0.93 0.52 115.31 114.40 2dhk h LEU 96 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dhk h LEU 96 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dhk h LEU 96 CO 0.01 0.50 -0.14 -0.61 0.09 0.00 0.00 178.44 178.29 2dhk h GLN 97 N 0.74 -0.38 0.85 1.13 5.75 -1.35 -2.76 115.11 119.09 2dhk h GLN 97 Ca 0.20 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 2dhk h GLN 97 Cb -0.04 0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.61 2dhk h GLN 97 CO -0.04 -0.08 -0.41 1.96 -2.65 0.00 0.00 178.83 177.61 2dhk h GLN 98 N -0.70 -1.10 -1.00 1.69 1.08 -0.91 -2.79 115.11 111.39 2dhk h GLN 98 Ca -0.04 0.07 0.34 0.00 -1.45 0.00 0.00 58.65 57.58 2dhk h GLN 98 Cb 0.48 0.25 -0.18 0.00 -0.05 0.00 0.00 27.48 27.98 2dhk h GLN 98 CO 0.07 -0.72 0.28 -0.07 -0.95 0.00 0.00 178.83 177.43 2dhk h LEU 99 N -1.22 -0.09 0.12 1.46 3.38 -0.06 0.48 115.31 119.38 2dhk h LEU 99 Ca -0.12 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2dhk h LEU 99 Cb 0.88 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2dhk h LEU 99 CO 0.19 -0.39 -0.06 1.56 0.09 0.00 0.00 178.44 179.83 2dhk h GLN 100 N 0.01 -0.16 -0.97 1.13 4.20 -1.29 -2.81 115.11 115.23 2dhk h GLN 100 Ca 0.72 0.01 0.26 0.00 0.06 0.00 0.00 58.65 59.70 2dhk h GLN 100 Cb 1.72 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 29.36 2dhk h GLN 100 CO -0.85 -0.08 0.01 0.52 -0.67 0.00 0.00 178.83 177.76 2dhk h MET 101 N -0.19 0.02 0.22 1.46 2.86 0.23 0.93 114.93 120.46 2dhk h MET 101 Ca -0.02 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2dhk h MET 101 Cb 0.15 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2dhk h MET 101 CO 0.03 0.01 -0.24 0.87 1.06 0.00 0.00 176.91 178.64 2dhk h LYS 102 N 0.02 -0.48 0.30 1.72 1.79 -1.33 0.77 116.57 119.36 2dhk h LYS 102 Ca 0.57 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 59.06 2dhk h LYS 102 Cb 1.15 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2dhk h LYS 102 CO -0.90 -0.32 -0.14 -0.09 -1.08 0.00 0.00 179.45 176.92 2dhk h ARG 103 N -0.50 -0.38 -0.98 3.15 2.43 -0.52 -3.20 114.38 114.37 2dhk h ARG 103 Ca 0.00 0.03 0.35 0.00 -0.81 0.00 0.00 59.98 59.54 2dhk h ARG 103 Cb 0.47 0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 29.94 2dhk h ARG 103 CO -0.07 -0.26 0.39 2.35 -1.51 0.00 0.00 179.97 180.87 2dhk h TRP 104 N -0.68 0.59 0.08 2.20 7.01 0.63 -0.29 115.95 125.49 2dhk h TRP 104 Ca -0.04 0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.02 2dhk h TRP 104 Cb 0.31 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 2dhk h TRP 104 CO 0.05 -0.38 -0.37 0.93 -2.79 0.00 0.00 178.44 175.87 2dhk h GLU 105 N 0.08 -0.51 -1.00 2.65 4.39 -0.88 -1.43 114.58 117.89 2dhk h GLU 105 Ca 0.74 0.03 0.34 0.00 0.34 0.00 0.00 59.36 60.81 2dhk h GLU 105 Cb 1.78 0.11 -0.18 0.00 -0.10 0.00 0.00 28.75 30.36 2dhk h GLU 105 CO -0.76 -0.34 0.27 0.34 -1.16 0.00 0.00 179.01 177.36 2dhk n PHE 106 N -4.56 0.89 -0.13 4.33 7.35 -0.13 0.21 117.46 125.43 2dhk n PHE 106 Ca -0.06 1.19 -0.03 0.00 -0.76 0.00 0.00 57.45 57.80 2dhk n PHE 106 Cb 0.29 -1.41 0.20 0.00 0.35 0.00 0.00 39.48 38.91 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 0.85 -0.01 -5.13 3.86 -1.20 -3.11 115.15 110.42 2dhk h HIS 107 Ca 0.72 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.84 2dhk h HIS 107 Cb 1.72 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.94 2dhk h HIS 107 CO -0.27 0.70 -0.08 -0.91 0.86 0.00 0.00 177.93 178.23 2dhk h ASN 108 N 0.80 0.08 -0.73 2.45 -0.26 0.33 -3.46 115.58 114.80 2dhk h ASN 108 Ca 0.18 -0.74 -0.57 0.00 -0.56 0.00 0.00 56.30 54.61 2dhk h ASN 108 Cb 0.27 -0.02 0.04 0.00 -1.06 0.00 0.00 38.32 37.54 2dhk h ASN 108 CO -0.00 0.81 0.00 -1.54 -1.06 0.00 0.00 177.43 175.64 2dhk n SER 109 N -4.66 -0.09 -4.75 5.81 3.41 0.78 -4.88 113.62 109.24 2dhk n SER 109 Ca -0.09 0.84 -0.30 0.00 -0.26 0.00 0.00 58.87 59.05 2dhk n SER 109 Cb 0.41 -0.67 0.11 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.07 1.84 0.89 4.33 0.04 -1.26 -4.99 135.00 135.78 2dhk s PRO 110 Ca 0.64 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 2dhk s PRO 110 Cb -0.90 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.00 2dhk s PRO 110 CO 0.41 -1.89 0.79 -0.35 0.04 0.00 0.00 177.00 176.00 2dhk n PRO 111 N -3.67 -2.58 -1.39 0.56 -0.04 -1.26 -4.92 135.00 121.70 2dhk n PRO 111 Ca 0.08 -1.26 -0.44 0.00 -0.04 0.00 0.00 63.50 61.84 2dhk n PRO 111 Cb 0.54 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 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 -4.36 -2.37 -2.14 0.55 0.00 -1.26 -4.81 120.51 106.12 2dhk n ALA 112 Ca -0.15 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 2dhk n ALA 112 Cb 0.43 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.19 4.05 -0.74 0.00 0.04 -1.26 -4.92 135.00 130.97 2dhk s PRO 113 Ca 0.62 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 2dhk s PRO 113 Cb -0.72 -3.96 0.38 0.00 0.04 0.00 0.00 34.50 30.25 2dhk s PRO 113 CO 0.59 -0.99 1.89 -1.13 0.04 0.00 0.00 177.00 177.40 2dhk n SER 114 N 7.52 7.13 -4.23 6.66 3.41 -1.26 -4.90 113.62 127.95 2dhk n SER 114 Ca 0.17 -3.81 -0.43 0.00 -0.26 0.00 0.00 58.87 54.54 2dhk n SER 114 Cb 0.44 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 2dhk n SER 114 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dhk s GLY 115 N -1.64 2.56 1.04 5.00 0.00 -1.26 -5.07 107.32 107.96 2dhk s GLY 115 Ca 0.54 -3.25 -0.17 0.00 0.00 0.00 0.00 44.72 41.84 2dhk s GLY 115 CO -0.29 1.19 0.92 -1.55 0.00 0.00 0.00 173.10 173.37 2dhk n PRO 116 N 3.84 -2.82 -2.77 2.90 -0.04 -1.26 -5.01 135.00 129.85 2dhk n PRO 116 Ca 0.10 -1.47 -0.39 0.00 -0.04 0.00 0.00 63.50 61.70 2dhk n PRO 116 Cb 0.43 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2dhk n PRO 116 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dhk s SER 117 N -3.98 7.52 -0.55 3.54 0.01 -1.26 -4.90 113.70 114.07 2dhk s SER 117 Ca 0.60 1.90 -0.38 0.00 1.31 0.00 0.00 55.95 59.38 2dhk s SER 117 Cb -0.06 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.41 2dhk s SER 117 CO 0.46 0.07 2.28 -1.20 0.41 0.00 0.00 173.24 175.26 2dhk n SER 118 N 1.11 1.15 0.00 2.44 7.64 -1.26 -5.33 113.62 119.37 2dhk n SER 118 Ca -0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2dhk n SER 118 Cb 0.48 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dhk n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64