#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dut s ILE 2 N 0.00 5.18 0.29 1.12 -1.09 -1.26 -4.98 121.20 120.46 1dut s ILE 2 Ca 0.00 0.80 0.04 0.00 -2.23 0.00 0.00 60.65 59.27 1dut s ILE 2 Cb 0.00 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 1dut s ILE 2 CO 0.00 0.26 0.01 0.27 -1.23 0.00 0.00 174.94 174.25 1dut s ILE 3 N 1.21 1.27 -0.22 2.92 -4.36 -1.26 -0.95 121.20 119.81 1dut s ILE 3 Ca 0.21 -2.04 -0.05 0.00 -0.26 0.00 0.00 60.65 58.52 1dut s ILE 3 Cb -0.15 -2.60 0.08 0.00 1.25 0.00 0.00 42.46 41.04 1dut s ILE 3 CO 0.09 -0.15 0.11 -0.70 0.24 0.00 0.00 174.94 174.52 1dut s GLU 4 N -3.84 0.13 0.00 0.37 2.12 0.21 -4.96 118.70 112.72 1dut s GLU 4 Ca 0.33 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1dut s GLU 4 Cb 0.07 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.89 1dut s GLU 4 CO 0.13 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.45 1dut n GLY 5 N 5.26 3.33 0.12 -1.50 0.00 -1.26 -1.25 105.19 109.89 1dut n GLY 5 Ca -0.07 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1dut n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dut h ASP 6 N 0.00 0.00 0.00 1.61 3.32 -1.86 -3.41 116.42 116.08 1dut h ASP 6 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dut h ASP 6 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1dut h ASP 6 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1dut n GLY 7 N 1.18 0.10 2.95 2.75 0.00 -1.25 -4.78 105.19 106.14 1dut n GLY 7 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1dut n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dut s ILE 8 N -1.56 0.77 0.12 -0.61 2.07 -1.26 -0.76 121.20 119.97 1dut s ILE 8 Ca 0.00 -0.28 0.04 0.00 -1.41 0.00 0.00 60.65 59.00 1dut s ILE 8 Cb 0.00 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 1dut s ILE 8 CO 0.00 0.27 0.10 -0.76 -1.91 0.00 0.00 174.94 172.64 1dut s LEU 9 N 0.71 3.78 0.88 8.50 1.43 -0.87 -5.02 118.68 128.10 1dut s LEU 9 Ca -0.12 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1dut s LEU 9 Cb -0.14 -2.43 0.12 0.00 0.03 0.00 0.00 46.19 43.77 1dut s LEU 9 CO 0.02 0.12 1.10 -1.81 0.23 0.00 0.00 176.35 176.00 1dut s ASP 10 N -2.75 3.46 0.09 2.29 1.01 -1.26 -4.07 116.67 115.44 1dut s ASP 10 Ca 0.30 1.78 0.04 0.00 0.71 0.00 0.00 52.55 55.37 1dut s ASP 10 Cb -0.11 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1dut s ASP 10 CO 0.22 -2.69 -0.11 -1.59 0.21 0.00 0.00 175.17 171.22 1dut s LYS 11 N -4.81 0.81 0.41 8.23 -2.85 -1.26 -4.79 119.74 115.48 1dut s LYS 11 Ca 0.64 -1.08 -0.23 0.00 -1.00 0.00 0.00 55.97 54.30 1dut s LYS 11 Cb -0.19 -0.56 -0.10 0.00 -2.06 0.00 0.00 37.83 34.92 1dut s LYS 11 CO 0.58 0.10 0.99 1.03 0.10 0.00 0.00 175.35 178.14 1dut s ARG 12 N -2.48 4.19 0.00 1.78 0.52 -1.26 -4.90 118.95 116.80 1dut s ARG 12 Ca 0.03 1.32 0.03 0.00 -0.52 0.00 0.00 55.73 56.58 1dut s ARG 12 Cb -0.05 -2.38 0.14 0.00 0.52 0.00 0.00 34.95 33.18 1dut s ARG 12 CO 0.00 -0.08 1.10 0.43 0.02 0.00 0.00 175.30 176.77 1dut n SER 13 N -0.32 0.00 -0.15 0.23 7.64 -1.26 -0.31 113.62 119.45 1dut n SER 13 Ca 0.06 0.49 0.14 0.00 1.01 0.00 0.00 58.87 60.57 1dut n SER 13 Cb 0.52 -0.50 0.53 0.00 -1.01 0.00 0.00 64.21 63.75 1dut n SER 13 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1dut n GLU 14 N -1.50 0.71 -3.85 1.43 -0.00 -1.26 -4.88 120.64 111.30 1dut n GLU 14 Ca 0.01 -0.31 -0.33 0.00 -0.00 0.00 0.00 57.16 56.53 1dut n GLU 14 Cb 0.04 -1.49 -0.05 0.00 -0.00 0.00 0.00 31.44 29.94 1dut n GLU 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1dut s ASP 15 N -2.50 6.41 -0.02 -1.84 1.01 0.58 -5.05 116.67 115.26 1dut s ASP 15 Ca 0.27 0.41 -0.22 0.00 0.71 0.00 0.00 52.55 53.72 1dut s ASP 15 Cb 0.20 -2.02 -0.23 0.00 1.01 0.00 0.00 42.92 41.88 1dut s ASP 15 CO 0.49 0.21 1.08 0.00 0.21 0.00 0.00 175.17 177.17 1dut h ALA 16 N 3.57 0.07 -4.58 5.23 0.00 -1.90 -3.46 119.26 118.19 1dut h ALA 16 Ca -0.48 -0.51 -0.41 0.00 0.00 0.00 0.00 54.91 53.51 1dut h ALA 16 Cb 1.18 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1dut h ALA 16 CO 0.70 0.22 -0.39 0.41 0.00 0.00 0.00 179.25 180.19 1dut n GLY 17 N 1.00 3.17 3.80 0.00 0.00 -1.26 -4.58 105.19 107.32 1dut n GLY 17 Ca -0.10 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 1dut n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dut s TYR 18 N -3.05 3.52 0.25 1.61 2.02 0.23 -4.83 117.35 117.10 1dut s TYR 18 Ca 0.29 0.50 -0.30 0.00 -0.37 0.00 0.00 57.07 57.20 1dut s TYR 18 Cb 0.01 -2.10 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 1dut s TYR 18 CO 0.21 0.50 1.17 -0.51 -1.57 0.00 0.00 175.55 175.35 1dut s ASP 19 N -0.32 7.12 -0.12 2.29 1.01 -1.26 -0.37 116.67 125.02 1dut s ASP 19 Ca 0.13 2.32 -0.02 0.00 0.71 0.00 0.00 52.55 55.69 1dut s ASP 19 Cb -0.12 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1dut s ASP 19 CO 0.03 -0.30 -0.06 -0.76 0.21 0.00 0.00 175.17 174.29 1dut s LEU 20 N -0.98 3.14 -0.02 1.23 1.02 -0.26 -2.04 118.68 120.76 1dut s LEU 20 Ca 0.49 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.53 1dut s LEU 20 Cb -0.33 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 1dut s LEU 20 CO 0.41 0.24 -0.01 -0.76 0.02 0.00 0.00 176.35 176.25 1dut s LEU 21 N -0.05 3.48 0.23 1.79 1.02 0.06 -1.09 118.68 124.13 1dut s LEU 21 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.87 1dut s LEU 21 Cb -0.13 -1.94 -0.09 0.00 0.02 0.00 0.00 46.19 44.04 1dut s LEU 21 CO 0.03 0.31 1.25 0.00 0.02 0.00 0.00 176.35 177.95 1dut s ALA 22 N -1.02 3.48 -0.02 4.21 0.00 -0.50 -4.30 121.76 123.60 1dut s ALA 22 Ca 0.18 1.07 0.12 0.00 0.00 0.00 0.00 51.96 53.32 1dut s ALA 22 Cb -0.11 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 1dut s ALA 22 CO 0.08 -0.46 0.99 0.00 0.00 0.00 0.00 175.76 176.37 1dut h ALA 23 N 4.71 0.61 -2.02 0.00 0.00 -1.38 0.32 119.26 121.50 1dut h ALA 23 Ca -0.46 -1.04 -0.47 0.00 0.00 0.00 0.00 54.91 52.94 1dut h ALA 23 Cb 1.22 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1dut h ALA 23 CO 0.73 1.22 -0.60 0.15 0.00 0.00 0.00 179.25 180.75 1dut s LYS 24 N -2.75 1.66 0.01 0.00 1.02 -1.26 -4.76 119.74 113.66 1dut s LYS 24 Ca -0.01 -1.93 -0.22 0.00 0.02 0.00 0.00 55.97 53.83 1dut s LYS 24 Cb 0.09 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.52 1dut s LYS 24 CO 0.81 -0.21 0.64 -2.00 -0.92 0.00 0.00 175.35 173.66 1dut s GLU 25 N -3.89 4.36 -0.03 1.68 2.12 -1.26 -3.95 118.70 117.73 1dut s GLU 25 Ca 0.36 0.81 0.02 0.00 0.36 0.00 0.00 54.97 56.52 1dut s GLU 25 Cb 0.08 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1dut s GLU 25 CO 0.15 0.35 -0.09 0.42 -0.54 0.00 0.00 175.26 175.56 1dut s ILE 26 N -0.17 0.78 -0.15 -3.70 1.01 -0.38 -4.96 121.20 113.62 1dut s ILE 26 Ca 0.33 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 1dut s ILE 26 Cb -0.19 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1dut s ILE 26 CO 0.19 0.25 -0.05 -2.28 0.00 0.00 0.00 174.94 173.05 1dut s HIS 27 N 0.32 3.00 -0.18 3.97 5.65 -1.26 0.19 115.29 126.98 1dut s HIS 27 Ca -0.05 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 54.96 1dut s HIS 27 Cb -0.10 -1.94 0.02 0.00 -1.18 0.00 0.00 32.58 29.39 1dut s HIS 27 CO 0.01 -0.03 -0.20 -0.51 -0.65 0.00 0.00 174.74 173.36 1dut s LEU 28 N 0.30 2.09 0.46 8.88 1.43 0.14 -4.99 118.68 126.99 1dut s LEU 28 Ca -0.04 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1dut s LEU 28 Cb -0.14 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1dut s LEU 28 CO 0.03 -0.00 0.73 -0.76 0.23 0.00 0.00 176.35 176.58 1dut s LEU 29 N 1.29 3.67 0.11 1.79 1.43 -1.26 -0.52 118.68 125.19 1dut s LEU 29 Ca 0.05 0.72 -0.33 0.00 -1.03 0.00 0.00 54.13 53.54 1dut s LEU 29 Cb -0.13 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 1dut s LEU 29 CO -0.12 -0.59 1.70 -2.65 0.23 0.00 0.00 176.35 174.91 1dut n PRO 30 N -2.18 2.34 -0.72 1.29 -0.02 -1.26 -1.66 135.00 132.79 1dut n PRO 30 Ca -0.00 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1dut n PRO 30 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1dut n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dut n GLY 31 N 3.80 1.11 3.72 -1.23 0.00 -0.09 -5.03 105.19 107.48 1dut n GLY 31 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1dut n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dut s GLU 32 N -0.17 4.53 -0.13 1.61 2.12 -0.66 -4.83 118.70 121.16 1dut s GLU 32 Ca 0.00 1.18 -0.03 0.00 0.36 0.00 0.00 54.97 56.48 1dut s GLU 32 Cb 0.00 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1dut s GLU 32 CO 0.00 0.10 -0.00 0.08 -0.54 0.00 0.00 175.26 174.90 1dut s VAL 33 N 0.55 4.23 0.03 3.70 1.01 -1.26 -2.38 120.40 126.27 1dut s VAL 33 Ca 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1dut s VAL 33 Cb -0.20 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1dut s VAL 33 CO 0.24 0.54 -0.02 -0.54 0.00 0.00 0.00 175.10 175.33 1dut s LYS 34 N -0.24 0.40 -0.16 2.72 3.01 -0.49 -4.98 119.74 119.99 1dut s LYS 34 Ca 0.05 -0.74 -0.10 0.00 -1.01 0.00 0.00 55.97 54.18 1dut s LYS 34 Cb -0.12 0.14 -0.05 0.00 -1.01 0.00 0.00 37.83 36.79 1dut s LYS 34 CO 0.02 -0.07 0.17 0.08 0.51 0.00 0.00 175.35 176.06 1dut s VAL 35 N -2.04 5.41 -0.17 3.17 1.01 -1.26 -0.95 120.40 125.57 1dut s VAL 35 Ca -0.10 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1dut s VAL 35 Cb -0.06 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1dut s VAL 35 CO -0.03 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 174.97 1dut s ILE 36 N -0.14 4.47 0.22 2.22 -1.09 0.21 -4.87 121.20 122.23 1dut s ILE 36 Ca 0.12 -0.15 -0.17 0.00 -2.23 0.00 0.00 60.65 58.23 1dut s ILE 36 Cb -0.12 -3.00 -0.08 0.00 -1.58 0.00 0.00 42.46 37.68 1dut s ILE 36 CO 0.01 0.47 0.67 -2.16 -1.23 0.00 0.00 174.94 172.70 1dut s PRO 37 N 0.39 4.10 -0.01 2.79 0.05 -1.26 0.63 135.00 141.68 1dut s PRO 37 Ca 0.01 0.69 0.09 0.00 0.05 0.00 0.00 61.00 61.84 1dut s PRO 37 Cb -0.13 -2.78 -0.13 0.00 0.05 0.00 0.00 34.50 31.50 1dut s PRO 37 CO 0.01 0.36 0.24 0.25 0.05 0.00 0.00 177.00 177.91 1dut n THR 38 N 0.46 0.00 0.00 1.26 -2.24 -0.90 -1.21 114.28 111.65 1dut n THR 38 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1dut n THR 38 Cb 0.52 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1dut n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dut n GLY 39 N 1.83 2.57 3.85 3.38 0.00 -1.26 -3.83 105.19 111.72 1dut n GLY 39 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1dut n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dut s VAL 40 N -2.50 4.88 -0.02 1.61 0.11 -1.26 -4.62 120.40 118.60 1dut s VAL 40 Ca 0.00 0.78 0.04 0.00 -2.93 0.00 0.00 61.98 59.87 1dut s VAL 40 Cb 0.00 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 1dut s VAL 40 CO 0.00 0.23 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.33 1dut s LYS 41 N -2.00 1.19 0.17 1.54 1.02 -0.38 -0.43 119.74 120.84 1dut s LYS 41 Ca 0.38 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.88 1dut s LYS 41 Cb -0.15 -1.11 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 1dut s LYS 41 CO 0.19 0.25 0.13 -0.48 -0.92 0.00 0.00 175.35 174.52 1dut s LEU 42 N -0.15 1.38 -0.28 3.17 0.05 -1.26 0.65 118.68 122.24 1dut s LEU 42 Ca 0.02 -1.22 0.03 0.00 0.05 0.00 0.00 54.13 53.00 1dut s LEU 42 Cb -0.07 0.50 0.08 0.00 -2.05 0.00 0.00 46.19 44.65 1dut s LEU 42 CO 0.00 -0.81 -0.03 -0.04 -0.55 0.00 0.00 176.35 174.92 1dut s MET 43 N -4.08 1.76 0.52 1.48 -1.94 -0.13 -4.67 119.30 112.24 1dut s MET 43 Ca 0.29 -1.43 -0.20 0.00 -1.71 0.00 0.00 55.69 52.63 1dut s MET 43 Cb 0.06 -2.87 -0.06 0.00 2.01 0.00 0.00 34.83 33.97 1dut s MET 43 CO 0.06 -0.73 1.14 -0.51 -0.01 0.00 0.00 175.02 174.97 1dut s LEU 44 N 1.13 3.83 0.65 -0.03 1.43 -1.26 -4.15 118.68 120.27 1dut s LEU 44 Ca -0.00 2.21 -0.18 0.00 -1.03 0.00 0.00 54.13 55.13 1dut s LEU 44 Cb -0.19 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.54 1dut s LEU 44 CO -0.08 -1.13 1.28 -2.84 0.23 0.00 0.00 176.35 173.82 1dut s PRO 45 N -3.12 2.53 0.06 1.29 0.02 -1.26 -4.90 135.00 129.62 1dut s PRO 45 Ca 0.70 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 63.42 1dut s PRO 45 Cb -0.25 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 1dut s PRO 45 CO 0.29 -1.60 1.39 0.21 -0.33 0.00 0.00 177.00 176.96 1dut s LYS 46 N -3.44 4.31 0.00 5.54 2.20 -1.26 -2.61 119.74 124.48 1dut s LYS 46 Ca 0.81 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 1dut s LYS 46 Cb -0.36 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1dut s LYS 46 CO 0.40 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 1dut n GLY 47 N 3.56 0.86 3.31 5.54 0.00 -1.26 -5.07 105.19 112.13 1dut n GLY 47 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1dut n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dut s TYR 48 N -2.05 1.52 0.27 1.61 1.51 -1.07 -1.67 117.35 117.47 1dut s TYR 48 Ca 0.00 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1dut s TYR 48 Cb 0.00 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1dut s TYR 48 CO 0.00 0.10 0.13 1.67 -1.11 0.00 0.00 175.55 176.35 1dut s TRP 49 N -3.27 1.51 -0.10 2.71 1.48 -0.21 -3.79 118.94 117.27 1dut s TRP 49 Ca 0.23 -1.31 0.03 0.00 -1.06 0.00 0.00 56.10 53.99 1dut s TRP 49 Cb 0.03 -0.82 -0.00 0.00 -1.16 0.00 0.00 33.47 31.52 1dut s TRP 49 CO 0.06 -0.48 -0.22 0.20 -4.06 0.00 0.00 176.95 172.44 1dut s GLY 50 N -3.32 1.36 -0.25 3.67 0.00 0.60 -2.25 107.32 107.13 1dut s GLY 50 Ca 0.37 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 1dut s GLY 50 CO 0.15 -0.32 0.14 -2.27 0.00 0.00 0.00 173.10 170.80 1dut s LEU 51 N 0.33 3.87 -0.22 0.66 2.96 -0.33 -0.35 118.68 125.59 1dut s LEU 51 Ca -0.17 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.59 1dut s LEU 51 Cb -0.18 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1dut s LEU 51 CO 0.08 0.01 0.26 -0.63 -1.32 0.00 0.00 176.35 174.75 1dut s ILE 52 N 1.40 5.29 0.03 6.68 1.01 0.48 -1.67 121.20 134.44 1dut s ILE 52 Ca 0.06 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.17 1dut s ILE 52 Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 1dut s ILE 52 CO 0.06 0.32 -0.13 -0.51 0.00 0.00 0.00 174.94 174.68 1dut s ILE 53 N 1.08 1.02 0.71 2.92 2.07 -0.79 -4.58 121.20 123.63 1dut s ILE 53 Ca 0.13 -0.94 -0.14 0.00 -1.41 0.00 0.00 60.65 58.29 1dut s ILE 53 Cb -0.14 -0.93 0.03 0.00 0.13 0.00 0.00 42.46 41.55 1dut s ILE 53 CO 0.05 -0.01 1.13 -0.83 -1.91 0.00 0.00 174.94 173.38 1dut s GLY 54 N -1.07 2.09 0.07 1.50 0.00 -1.26 -1.04 107.32 107.61 1dut s GLY 54 Ca 0.01 0.58 -0.18 0.00 0.00 0.00 0.00 44.72 45.13 1dut s GLY 54 CO 0.01 0.95 0.53 0.54 0.00 0.00 0.00 173.10 175.13 1dut s LYS 55 N -4.22 4.11 0.45 2.90 1.02 -1.25 -4.73 119.74 118.01 1dut s LYS 55 Ca 0.68 0.63 0.22 0.00 0.02 0.00 0.00 55.97 57.52 1dut s LYS 55 Cb -0.22 -3.20 1.21 0.00 -0.52 0.00 0.00 37.83 35.10 1dut s LYS 55 CO 0.46 0.63 1.83 0.66 -0.92 0.00 0.00 175.35 178.01 1dut h SER 56 N 4.45 0.31 -0.49 2.83 4.64 -1.95 0.25 113.55 123.58 1dut h SER 56 Ca -0.50 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1dut h SER 56 Cb 1.21 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1dut h SER 56 CO 0.63 0.10 0.22 0.77 -0.87 0.00 0.00 176.83 177.67 1dut h SER 57 N 0.29 0.66 1.01 4.97 4.64 -1.98 0.58 113.55 123.73 1dut h SER 57 Ca 0.50 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 1dut h SER 57 Cb 1.46 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1dut h SER 57 CO -0.16 0.63 -1.05 0.16 -0.87 0.00 0.00 176.83 175.54 1dut h ILE 58 N 0.65 0.46 -0.62 0.95 3.07 -1.65 -3.29 117.51 117.09 1dut h ILE 58 Ca 0.17 -1.79 -0.10 0.00 1.55 0.00 0.00 64.86 64.68 1dut h ILE 58 Cb 0.16 2.01 -0.02 0.00 -0.27 0.00 0.00 36.82 38.70 1dut h ILE 58 CO -0.02 0.26 0.00 1.23 -1.05 0.00 0.00 178.15 178.57 1dut h GLY 59 N 3.74 1.17 1.53 0.16 0.00 -0.27 -1.11 103.07 108.29 1dut h GLY 59 Ca -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1dut h GLY 59 CO 0.04 0.79 0.00 -1.14 0.00 0.00 0.00 176.54 176.23 1dut n SER 60 N -4.18 0.00 0.00 0.19 3.41 0.17 -2.09 113.62 111.13 1dut n SER 60 Ca 0.03 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1dut n SER 60 Cb 0.35 -0.26 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1dut n SER 60 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1dut n LYS 61 N -1.26 0.04 0.00 4.33 3.00 -0.44 -4.97 118.16 118.85 1dut n LYS 61 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1dut n LYS 61 Cb 0.16 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.68 1dut n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dut n GLY 62 N 1.48 1.02 3.61 3.14 0.00 -0.89 -4.84 105.19 108.72 1dut n GLY 62 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1dut n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dut s LEU 63 N 0.00 3.59 0.25 0.99 1.43 -1.07 -1.22 118.68 122.65 1dut s LEU 63 Ca 0.00 0.05 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1dut s LEU 63 Cb 0.00 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1dut s LEU 63 CO 0.00 0.24 -0.12 -0.62 0.23 0.00 0.00 176.35 176.08 1dut s ASP 64 N -0.04 4.00 -0.18 2.29 2.15 -0.82 -4.26 116.67 119.80 1dut s ASP 64 Ca 0.04 -0.82 -0.05 0.00 0.43 0.00 0.00 52.55 52.14 1dut s ASP 64 Cb -0.13 -0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 41.92 1dut s ASP 64 CO 0.02 0.04 0.01 -0.69 -0.17 0.00 0.00 175.17 174.38 1dut s VAL 65 N -2.27 4.22 0.19 1.11 1.01 -1.26 -2.29 120.40 121.10 1dut s VAL 65 Ca 0.29 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1dut s VAL 65 Cb -0.06 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1dut s VAL 65 CO 0.16 0.45 0.19 -0.76 0.00 0.00 0.00 175.10 175.15 1dut s LEU 66 N 0.63 3.95 0.00 3.92 1.02 -0.69 -4.93 118.68 122.57 1dut s LEU 66 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.07 1dut s LEU 66 Cb -0.14 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.55 1dut s LEU 66 CO 0.02 0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.03 1dut n GLY 67 N -0.65 1.10 0.00 -3.19 0.00 -1.26 -4.28 105.19 96.91 1dut n GLY 67 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1dut n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dut n GLY 68 N 0.00 0.56 3.41 -0.02 0.00 -1.26 -4.85 105.19 103.03 1dut n GLY 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1dut n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dut s VAL 69 N -1.09 4.17 -0.27 1.61 1.01 -1.26 -0.38 120.40 124.20 1dut s VAL 69 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1dut s VAL 69 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1dut s VAL 69 CO 0.00 0.27 0.05 -0.63 0.00 0.00 0.00 175.10 174.78 1dut s ILE 70 N 1.58 3.86 0.44 2.22 -1.09 0.52 -4.96 121.20 123.77 1dut s ILE 70 Ca 0.05 -0.57 -0.22 0.00 -2.23 0.00 0.00 60.65 57.69 1dut s ILE 70 Cb -0.16 -2.91 -0.09 0.00 -1.58 0.00 0.00 42.46 37.73 1dut s ILE 70 CO 0.03 0.21 1.02 -1.81 -1.23 0.00 0.00 174.94 173.16 1dut s ASP 71 N 1.51 6.63 0.38 3.58 1.01 -1.26 -0.29 116.67 128.23 1dut s ASP 71 Ca 0.04 1.92 0.12 0.00 0.71 0.00 0.00 52.55 55.34 1dut s ASP 71 Cb -0.16 -2.57 0.93 0.00 1.01 0.00 0.00 42.92 42.13 1dut s ASP 71 CO 0.01 -0.58 1.85 -0.08 0.21 0.00 0.00 175.17 176.59 1dut h GLU 72 N 2.02 0.55 0.00 8.23 4.81 -1.94 0.11 114.58 128.35 1dut h GLU 72 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1dut h GLU 72 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1dut h GLU 72 CO 0.61 0.36 0.00 0.78 -0.73 0.00 0.00 179.01 180.03 1dut h GLY 73 N 0.57 0.00 -4.82 1.92 0.00 -1.92 -3.40 103.07 95.42 1dut h GLY 73 Ca 0.47 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.27 1dut h GLY 73 CO -0.21 0.00 0.98 -0.47 0.00 0.00 0.00 176.54 176.84 1dut s TYR 74 N -3.20 2.61 0.00 5.60 5.04 0.36 -4.90 117.35 122.86 1dut s TYR 74 Ca 0.08 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1dut s TYR 74 Cb 0.11 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1dut s TYR 74 CO 0.54 -3.93 0.35 -2.13 -1.34 0.00 0.00 175.55 169.04 1dut n ARG 75 N 4.97 -0.12 -0.91 4.97 3.00 -1.26 -4.78 116.66 122.53 1dut n ARG 75 Ca 0.16 -0.35 -0.19 0.00 -0.00 0.00 0.00 57.85 57.47 1dut n ARG 75 Cb 0.39 -0.83 0.15 0.00 0.00 0.00 0.00 32.46 32.17 1dut n ARG 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1dut n GLY 76 N 0.08 -2.10 3.74 5.14 0.00 -1.26 -4.72 105.19 106.07 1dut n GLY 76 Ca 0.00 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 1dut n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dut s GLU 77 N -4.71 4.76 0.10 1.61 2.12 -1.26 -4.47 118.70 116.84 1dut s GLU 77 Ca 0.47 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.93 1dut s GLU 77 Cb -0.03 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 1dut s GLU 77 CO 0.35 0.37 1.18 0.42 -0.54 0.00 0.00 175.26 177.04 1dut s ILE 78 N -0.59 3.92 0.06 -3.70 1.01 0.42 -4.99 121.20 117.34 1dut s ILE 78 Ca 0.43 1.46 0.04 0.00 0.00 0.00 0.00 60.65 62.58 1dut s ILE 78 Cb -0.24 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1dut s ILE 78 CO 0.30 0.16 -0.12 -0.83 0.00 0.00 0.00 174.94 174.45 1dut s GLY 79 N 0.70 0.72 -0.15 6.18 0.00 -1.26 -2.11 107.32 111.40 1dut s GLY 79 Ca 0.56 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 44.40 1dut s GLY 79 CO 0.31 -0.93 -0.19 0.14 0.00 0.00 0.00 173.10 172.43 1dut s VAL 80 N -1.29 2.28 -0.11 1.40 1.01 0.20 -4.85 120.40 119.04 1dut s VAL 80 Ca -0.05 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1dut s VAL 80 Cb -0.10 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1dut s VAL 80 CO 0.02 0.54 0.97 -0.63 0.00 0.00 0.00 175.10 175.99 1dut s ILE 81 N 0.88 4.81 -0.03 2.22 1.01 -1.26 0.64 121.20 129.46 1dut s ILE 81 Ca -0.05 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1dut s ILE 81 Cb -0.15 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.06 1dut s ILE 81 CO -0.02 0.02 -0.00 -0.32 0.00 0.00 0.00 174.94 174.61 1dut s MET 82 N 1.98 0.30 -0.06 2.79 1.75 -0.12 -1.70 119.30 124.23 1dut s MET 82 Ca 0.47 0.05 0.02 0.00 -1.25 0.00 0.00 55.69 54.99 1dut s MET 82 Cb -0.18 -0.46 -0.03 0.00 2.84 0.00 0.00 34.83 37.00 1dut s MET 82 CO 0.17 -0.11 -0.11 0.42 -0.65 0.00 0.00 175.02 174.74 1dut s ILE 83 N 0.90 3.31 -0.82 10.11 1.09 -0.97 -1.40 121.20 133.42 1dut s ILE 83 Ca -0.09 -0.63 -0.20 0.00 -1.10 0.00 0.00 60.65 58.63 1dut s ILE 83 Cb -0.12 -2.32 0.11 0.00 -1.06 0.00 0.00 42.46 39.06 1dut s ILE 83 CO -0.02 0.59 1.05 0.21 -0.10 0.00 0.00 174.94 176.67 1dut s ASN 84 N -0.72 6.46 -0.28 3.58 3.04 -1.00 -1.94 114.94 124.07 1dut s ASN 84 Ca 0.11 -1.69 0.02 0.00 0.04 0.00 0.00 52.86 51.34 1dut s ASN 84 Cb -0.11 -2.40 0.41 0.00 -1.54 0.00 0.00 41.25 37.61 1dut s ASN 84 CO 0.01 -1.18 1.58 1.33 -3.04 0.00 0.00 177.10 175.80 1dut n VAL 85 N 5.62 2.38 -3.66 -5.21 0.24 -0.36 -0.91 118.33 116.44 1dut n VAL 85 Ca 0.13 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 1dut n VAL 85 Cb 0.47 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1dut n VAL 85 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1dut n SER 86 N -0.51 1.45 -0.48 -1.34 3.41 -1.23 -4.96 113.62 109.96 1dut n SER 86 Ca 0.37 -0.94 0.08 0.00 -0.26 0.00 0.00 58.87 58.12 1dut n SER 86 Cb 1.21 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.19 1dut n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dut n ARG 87 N -0.26 1.49 -3.71 4.33 5.12 -1.26 -4.43 116.66 117.94 1dut n ARG 87 Ca 0.00 -1.09 -0.34 0.00 -1.93 0.00 0.00 57.85 54.48 1dut n ARG 87 Cb 0.00 -1.27 -0.05 0.00 -1.16 0.00 0.00 32.46 29.98 1dut n ARG 87 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1dut s LYS 88 N -1.57 3.63 0.03 5.56 2.20 -1.26 -4.82 119.74 123.50 1dut s LYS 88 Ca 0.15 -0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.50 1dut s LYS 88 Cb 0.13 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 1dut s LYS 88 CO 0.29 0.62 0.76 0.45 -0.36 0.00 0.00 175.35 177.12 1dut s SER 89 N -1.75 7.19 -0.01 1.43 0.15 -1.26 -4.26 113.70 115.19 1dut s SER 89 Ca 0.29 1.42 0.03 0.00 0.70 0.00 0.00 55.95 58.40 1dut s SER 89 Cb -0.13 -2.46 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1dut s SER 89 CO 0.17 -0.01 -0.11 -0.63 1.20 0.00 0.00 173.24 173.86 1dut s ILE 90 N 0.08 0.87 -0.14 6.45 1.01 0.32 -4.98 121.20 124.81 1dut s ILE 90 Ca 0.39 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1dut s ILE 90 Cb -0.20 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1dut s ILE 90 CO 0.22 0.25 -0.11 -0.89 0.00 0.00 0.00 174.94 174.41 1dut s THR 91 N -0.23 3.19 -0.14 2.92 2.01 -1.26 0.28 115.64 122.40 1dut s THR 91 Ca 0.04 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1dut s THR 91 Cb -0.04 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1dut s THR 91 CO -0.00 0.52 0.12 -0.76 -0.69 0.00 0.00 174.62 173.80 1dut s LEU 92 N 0.38 4.21 0.27 4.42 1.02 0.13 -4.95 118.68 124.15 1dut s LEU 92 Ca -0.09 0.34 -0.13 0.00 0.02 0.00 0.00 54.13 54.26 1dut s LEU 92 Cb -0.16 -2.04 -0.08 0.00 0.02 0.00 0.00 46.19 43.93 1dut s LEU 92 CO 0.05 0.33 0.66 -0.04 0.02 0.00 0.00 176.35 177.37 1dut s MET 93 N -0.55 3.95 0.24 1.70 -1.94 -1.26 -1.26 119.30 120.19 1dut s MET 93 Ca 0.12 0.54 -0.31 0.00 -1.71 0.00 0.00 55.69 54.33 1dut s MET 93 Cb -0.12 -2.58 -0.12 0.00 2.01 0.00 0.00 34.83 34.03 1dut s MET 93 CO 0.02 0.25 1.67 -1.91 -0.01 0.00 0.00 175.02 175.04 1dut n GLU 94 N -0.11 2.73 -0.99 2.03 2.13 -1.25 -1.41 120.64 123.77 1dut n GLU 94 Ca 0.01 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1dut n GLU 94 Cb 0.53 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.43 1dut n GLU 94 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1dut n ARG 95 N 3.24 -0.17 -2.91 5.31 1.74 0.11 -4.95 116.66 119.03 1dut n ARG 95 Ca 0.13 0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 1dut n ARG 95 Cb 0.35 -3.11 -0.06 0.00 -1.02 0.00 0.00 32.46 28.63 1dut n ARG 95 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1dut s GLN 96 N -0.19 4.55 -0.01 5.56 0.74 -0.50 -4.74 119.66 125.07 1dut s GLN 96 Ca 0.00 1.20 -0.30 0.00 0.05 0.00 0.00 55.36 56.31 1dut s GLN 96 Cb 0.00 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 1dut s GLN 96 CO 0.00 0.43 1.34 0.15 -0.55 0.00 0.00 175.29 176.66 1dut s LYS 97 N -1.63 4.31 -0.05 1.67 1.02 -1.26 -1.41 119.74 122.38 1dut s LYS 97 Ca 0.43 1.88 0.05 0.00 0.02 0.00 0.00 55.97 58.35 1dut s LYS 97 Cb -0.21 -3.54 -0.06 0.00 -0.52 0.00 0.00 37.83 33.50 1dut s LYS 97 CO 0.25 -0.52 0.02 0.44 -0.92 0.00 0.00 175.35 174.62 1dut n ILE 98 N 4.58 0.35 -3.18 2.17 -5.35 -0.25 -4.89 119.36 112.78 1dut n ILE 98 Ca 0.12 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1dut n ILE 98 Cb 0.44 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 1dut n ILE 98 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dut n ALA 99 N -2.18 0.00 -3.07 -1.28 0.00 -1.23 -3.81 120.51 108.94 1dut n ALA 99 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1dut n ALA 99 Cb 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 1dut n ALA 99 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1dut s GLN 100 N -1.91 0.23 -0.19 0.00 0.74 -0.20 -1.11 119.66 117.22 1dut s GLN 100 Ca 0.00 0.24 -0.05 0.00 0.05 0.00 0.00 55.36 55.60 1dut s GLN 100 Cb 0.00 0.11 -0.03 0.00 1.10 0.00 0.00 33.01 34.19 1dut s GLN 100 CO 0.00 -0.03 0.01 -1.17 -0.55 0.00 0.00 175.29 173.55 1dut s LEU 101 N 0.05 3.38 -0.04 3.68 2.96 0.51 -1.88 118.68 127.34 1dut s LEU 101 Ca -0.01 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1dut s LEU 101 Cb -0.02 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1dut s LEU 101 CO 0.00 0.10 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.29 1dut s ILE 102 N 0.78 2.39 -0.30 6.68 1.01 -0.67 -0.60 121.20 130.48 1dut s ILE 102 Ca 0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 1dut s ILE 102 Cb -0.14 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1dut s ILE 102 CO 0.02 0.58 0.25 -0.63 0.00 0.00 0.00 174.94 175.16 1dut s ILE 103 N -0.51 5.27 0.12 2.92 1.01 -1.26 -1.19 121.20 127.55 1dut s ILE 103 Ca 0.07 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1dut s ILE 103 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1dut s ILE 103 CO 0.01 0.12 -0.22 -0.76 0.00 0.00 0.00 174.94 174.09 1dut s LEU 104 N 1.81 2.32 0.20 2.97 1.43 -0.95 -4.98 118.68 121.47 1dut s LEU 104 Ca 0.08 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 1dut s LEU 104 Cb -0.16 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.02 1dut s LEU 104 CO 0.11 0.08 1.02 -2.16 0.23 0.00 0.00 176.35 175.62 1dut s PRO 105 N -2.05 4.71 -0.10 1.29 0.04 -1.26 -1.04 135.00 136.58 1dut s PRO 105 Ca 0.09 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1dut s PRO 105 Cb -0.09 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1dut s PRO 105 CO 0.05 0.26 -0.09 0.00 0.04 0.00 0.00 177.00 177.26 1dut s LYS 107 N -0.30 4.00 -0.31 0.00 2.47 -1.26 -4.87 119.74 119.47 1dut s LYS 107 Ca 0.04 -0.07 -0.14 0.00 -1.56 0.00 0.00 55.97 54.23 1dut s LYS 107 Cb -0.13 -3.65 -0.02 0.00 -1.46 0.00 0.00 37.83 32.57 1dut s LYS 107 CO 0.03 -0.23 0.34 -1.58 0.16 0.00 0.00 175.35 174.06 1dut s HIS 108 N 1.92 3.22 0.15 4.03 5.65 -1.26 -5.06 115.29 123.94 1dut s HIS 108 Ca 0.13 0.12 0.10 0.00 0.25 0.00 0.00 55.06 55.66 1dut s HIS 108 Cb -0.16 -2.60 -0.04 0.00 -1.18 0.00 0.00 32.58 28.60 1dut s HIS 108 CO 0.10 -0.34 -0.24 -1.21 -0.65 0.00 0.00 174.74 172.40 1dut s GLU 109 N 1.99 1.37 0.01 2.88 0.41 -1.26 -5.12 118.70 118.99 1dut s GLU 109 Ca 0.12 -1.37 -0.24 0.00 -0.41 0.00 0.00 54.97 53.07 1dut s GLU 109 Cb -0.16 -1.74 -0.05 0.00 -1.78 0.00 0.00 34.13 30.39 1dut s GLU 109 CO 0.11 0.40 0.72 0.14 -0.49 0.00 0.00 175.26 176.13 1dut s VAL 110 N -1.35 4.83 -0.30 2.63 -7.23 -1.26 -5.02 120.40 112.71 1dut s VAL 110 Ca 0.15 1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 61.55 1dut s VAL 110 Cb -0.09 -4.06 0.01 0.00 0.56 0.00 0.00 36.38 32.80 1dut s VAL 110 CO 0.07 0.35 1.00 -0.76 -0.31 0.00 0.00 175.10 175.45 1dut s LEU 111 N 0.08 4.00 -0.16 1.32 1.02 -1.26 -5.00 118.68 118.68 1dut s LEU 111 Ca 0.37 1.03 0.01 0.00 0.02 0.00 0.00 54.13 55.56 1dut s LEU 111 Cb -0.19 -3.43 0.02 0.00 0.02 0.00 0.00 46.19 42.61 1dut s LEU 111 CO 0.21 -0.77 -0.18 -1.61 0.02 0.00 0.00 176.35 174.02 1dut s GLU 112 N 3.38 2.69 0.35 1.70 2.02 -1.26 -5.11 118.70 122.47 1dut s GLU 112 Ca 0.42 -0.71 -0.27 0.00 0.02 0.00 0.00 54.97 54.42 1dut s GLU 112 Cb -0.13 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.66 1dut s GLU 112 CO 0.13 -0.20 1.21 -1.14 0.02 0.00 0.00 175.26 175.27 1dut s GLN 113 N 1.32 4.26 0.00 1.61 2.00 -1.26 -4.95 119.66 122.64 1dut s GLN 113 Ca 0.04 1.97 0.00 0.00 -2.00 0.00 0.00 55.36 55.37 1dut s GLN 113 Cb -0.13 -2.91 0.00 0.00 0.80 0.00 0.00 33.01 30.77 1dut s GLN 113 CO -0.11 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 174.91 1dut n GLY 114 N 0.80 1.20 3.25 2.59 0.00 -1.26 -5.13 105.19 106.64 1dut n GLY 114 Ca 0.02 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1dut n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dut s LYS 115 N 1.45 3.13 -0.46 1.61 2.20 -1.26 -5.06 119.74 121.34 1dut s LYS 115 Ca 0.00 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.49 1dut s LYS 115 Cb 0.00 -2.40 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1dut s LYS 115 CO 0.00 0.16 1.16 0.08 -0.36 0.00 0.00 175.35 176.39 1dut s VAL 116 N 0.41 4.19 -0.44 4.02 1.01 -1.26 -5.28 120.40 123.05 1dut s VAL 116 Ca -0.16 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1dut s VAL 116 Cb -0.17 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1dut s VAL 116 CO 0.07 -0.96 0.11 0.52 0.00 0.00 0.00 175.10 174.84