#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgk n SER 2 N 0.00 -2.71 0.01 1.61 2.88 -1.26 -4.94 113.62 109.21 1wgk n SER 2 Ca 0.00 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1wgk n SER 2 Cb 0.00 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1wgk n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgk n SER 3 N 1.69 0.05 0.00 -3.46 2.88 -1.26 -5.13 113.62 108.39 1wgk n SER 3 Ca 0.09 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1wgk n SER 3 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1wgk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgk n GLY 4 N 2.33 1.60 4.36 0.46 0.00 -1.26 -4.97 105.19 107.71 1wgk n GLY 4 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1wgk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgk n SER 5 N 0.00 -2.53 -4.84 1.61 2.88 -1.26 -4.92 113.62 104.56 1wgk n SER 5 Ca 0.00 -1.12 -0.23 0.00 -1.33 0.00 0.00 58.87 56.20 1wgk n SER 5 Cb 0.00 -2.25 -0.04 0.00 -0.75 0.00 0.00 64.21 61.17 1wgk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgk s SER 6 N -3.33 5.65 0.00 -3.46 0.01 -1.26 -4.74 113.70 106.57 1wgk s SER 6 Ca 0.75 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1wgk s SER 6 Cb -0.42 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1wgk s SER 6 CO 0.97 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 175.21 1wgk n GLY 7 N -1.06 3.82 3.56 3.44 0.00 -1.26 -5.10 105.19 108.59 1wgk n GLY 7 Ca -0.08 -0.86 -0.61 0.00 0.00 0.00 0.00 46.02 44.47 1wgk n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wgk n MET 8 N 0.00 0.04 -1.68 1.61 -0.00 -1.26 -4.85 117.12 110.98 1wgk n MET 8 Ca 0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 57.70 57.37 1wgk n MET 8 Cb 0.00 -1.52 0.06 0.00 -0.00 0.00 0.00 33.22 31.76 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk s ALA 9 N 0.73 2.34 0.31 3.17 0.00 -0.76 -4.83 121.76 122.72 1wgk s ALA 9 Ca 0.94 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 1wgk s ALA 9 Cb -1.31 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 18.36 1wgk s ALA 9 CO 0.63 -1.49 0.57 0.00 0.00 0.00 0.00 175.76 175.46 1wgk s ALA 10 N -2.07 3.62 0.13 0.00 0.00 -1.26 -2.41 121.76 119.76 1wgk s ALA 10 Ca 0.72 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 1wgk s ALA 10 Cb -0.25 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 1wgk s ALA 10 CO 0.41 0.17 1.35 -1.25 0.00 0.00 0.00 175.76 176.45 1wgk s PRO 11 N -3.72 4.35 0.19 0.00 0.04 -1.25 -4.52 135.00 130.08 1wgk s PRO 11 Ca 0.44 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.57 1wgk s PRO 11 Cb -0.10 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1wgk s PRO 11 CO 0.32 -0.38 0.15 -0.48 0.04 0.00 0.00 177.00 176.65 1wgk s LEU 12 N 0.85 3.79 -0.09 -3.56 2.34 -0.76 -4.87 118.68 116.37 1wgk s LEU 12 Ca 0.62 -0.18 0.02 0.00 0.06 0.00 0.00 54.13 54.66 1wgk s LEU 12 Cb -0.36 -2.37 -0.02 0.00 -0.56 0.00 0.00 46.19 42.88 1wgk s LEU 12 CO 0.32 0.03 -0.16 0.00 -1.06 0.00 0.00 176.35 175.48 1wgk s VAL 14 N -0.09 0.88 -0.34 0.00 -7.23 -0.17 -0.51 120.40 112.94 1wgk s VAL 14 Ca -0.03 -0.71 -0.18 0.00 -1.81 0.00 0.00 61.98 59.25 1wgk s VAL 14 Cb -0.14 -0.78 -0.01 0.00 0.56 0.00 0.00 36.38 36.01 1wgk s VAL 14 CO 0.04 0.08 0.53 -0.54 -0.31 0.00 0.00 175.10 174.90 1wgk s LYS 15 N -0.72 3.68 -0.21 4.82 1.02 -0.78 -1.17 119.74 126.38 1wgk s LYS 15 Ca 0.02 -0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.83 1wgk s LYS 15 Cb -0.06 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 1wgk s LYS 15 CO 0.00 -0.63 0.14 0.08 -0.92 0.00 0.00 175.35 174.03 1wgk s VAL 16 N 2.43 5.39 -0.08 3.17 1.01 -0.38 -1.11 120.40 130.82 1wgk s VAL 16 Ca 0.20 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1wgk s VAL 16 Cb -0.15 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1wgk s VAL 16 CO 0.13 0.41 -0.14 -0.70 0.00 0.00 0.00 175.10 174.80 1wgk s GLU 17 N 0.59 1.92 -0.04 2.72 2.12 -0.86 0.22 118.70 125.37 1wgk s GLU 17 Ca 0.08 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.95 1wgk s GLU 17 Cb -0.12 -1.59 -0.03 0.00 0.26 0.00 0.00 34.13 32.66 1wgk s GLU 17 CO 0.00 0.02 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.59 1wgk s PHE 18 N 0.73 2.85 0.00 5.30 0.08 -1.13 -0.64 117.98 125.17 1wgk s PHE 18 Ca -0.13 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1wgk s PHE 18 Cb -0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1wgk s PHE 18 CO 0.03 0.31 0.00 0.41 -0.10 0.00 0.00 175.22 175.87 1wgk n GLY 19 N 1.99 -2.49 3.69 4.36 0.00 -1.07 -4.55 105.19 107.12 1wgk n GLY 19 Ca -0.17 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1wgk n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgk s GLY 20 N -0.58 2.47 0.00 -0.02 0.00 -1.26 -3.60 107.32 104.32 1wgk s GLY 20 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1wgk s GLY 20 CO 0.00 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.47 1wgk n GLY 21 N 3.11 3.06 0.29 0.20 0.00 -1.26 -4.83 105.19 105.76 1wgk n GLY 21 Ca 0.07 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1wgk n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgk h ALA 22 N 0.00 0.73 -1.01 4.61 0.00 -1.90 -3.02 119.26 118.67 1wgk h ALA 22 Ca 0.00 -0.35 0.34 0.00 0.00 0.00 0.00 54.91 54.91 1wgk h ALA 22 Cb 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 17.45 1wgk h ALA 22 CO 0.00 0.63 0.57 1.05 0.00 0.00 0.00 179.25 181.51 1wgk h GLU 23 N 0.88 0.25 -0.96 0.00 4.11 -1.80 0.73 114.58 117.79 1wgk h GLU 23 Ca 0.14 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.66 1wgk h GLU 23 Cb 0.67 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1wgk h GLU 23 CO 0.05 0.16 0.59 -0.07 0.07 0.00 0.00 179.01 179.81 1wgk h LEU 24 N 0.25 0.87 0.00 3.06 3.38 -1.84 0.38 115.31 121.42 1wgk h LEU 24 Ca 0.76 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.77 1wgk h LEU 24 Cb 1.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1wgk h LEU 24 CO -0.63 0.48 0.00 0.18 0.09 0.00 0.00 178.44 178.56 1wgk n LEU 25 N -4.64 0.00 -3.57 1.67 4.77 0.25 -3.31 117.00 112.17 1wgk n LEU 25 Ca 0.17 0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 56.27 1wgk n LEU 25 Cb 0.32 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 1wgk n LEU 25 CO 0.28 -0.32 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.38 1wgk s PHE 26 N -2.81 1.43 0.00 -1.77 0.40 0.11 -3.67 117.98 111.68 1wgk s PHE 26 Ca 0.04 -2.15 0.00 0.00 -0.60 0.00 0.00 56.93 54.22 1wgk s PHE 26 Cb 0.04 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.18 1wgk s PHE 26 CO 0.10 -0.79 0.00 -3.47 0.70 0.00 0.00 175.22 171.76 1wgk n ASP 27 N 3.52 -0.71 -3.70 1.36 -0.08 -1.25 -2.01 116.55 113.69 1wgk n ASP 27 Ca 0.14 0.35 -0.27 0.00 -1.51 0.00 0.00 54.79 53.50 1wgk n ASP 27 Cb 0.38 -0.82 0.01 0.00 2.34 0.00 0.00 41.12 43.03 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wgk n GLY 28 N -0.35 -0.97 3.10 0.27 0.00 -0.10 -4.96 105.19 102.18 1wgk n GLY 28 Ca 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 46.02 46.65 1wgk n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgk s VAL 29 N -2.63 0.08 -0.01 1.61 1.01 -0.85 -4.86 120.40 114.75 1wgk s VAL 29 Ca 0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1wgk s VAL 29 Cb -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1wgk s VAL 29 CO 0.89 -0.35 0.63 0.11 0.00 0.00 0.00 175.10 176.37 1wgk h LYS 30 N 4.42 -0.31 -5.84 2.72 1.57 -1.90 -3.42 116.57 113.81 1wgk h LYS 30 Ca -0.30 0.02 -0.66 0.00 -1.87 0.00 0.00 60.65 57.83 1wgk h LYS 30 Cb 1.19 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 1wgk h LYS 30 CO 0.41 -0.20 -0.54 0.15 -0.57 0.00 0.00 179.45 178.69 1wgk s LYS 31 N -2.82 3.23 -0.16 3.15 1.02 -1.26 -2.82 119.74 120.08 1wgk s LYS 31 Ca -0.05 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.60 1wgk s LYS 31 Cb 0.00 -3.00 0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1wgk s LYS 31 CO 0.14 0.71 0.01 -1.01 -0.92 0.00 0.00 175.35 174.28 1wgk s HIS 32 N -1.08 1.06 -0.15 3.18 3.76 0.13 -4.98 115.29 117.21 1wgk s HIS 32 Ca 0.18 -0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 54.06 1wgk s HIS 32 Cb -0.12 -1.03 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 1wgk s HIS 32 CO 0.08 -0.55 1.21 -0.65 -0.85 0.00 0.00 174.74 173.99 1wgk s GLN 33 N 1.84 4.26 -0.01 1.40 1.11 -1.26 -1.26 119.66 125.75 1wgk s GLN 33 Ca 0.01 1.62 0.04 0.00 0.01 0.00 0.00 55.36 57.03 1wgk s GLN 33 Cb -0.16 -3.70 -0.03 0.00 -1.01 0.00 0.00 33.01 28.11 1wgk s GLN 33 CO -0.07 -0.64 -0.11 0.08 0.01 0.00 0.00 175.29 174.56 1wgk s VAL 34 N 3.19 3.34 -0.40 1.09 1.01 -0.32 -4.99 120.40 123.31 1wgk s VAL 34 Ca 0.53 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1wgk s VAL 34 Cb -0.21 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 33.88 1wgk s VAL 34 CO 0.15 0.44 0.18 0.00 0.00 0.00 0.00 175.10 175.86 1wgk s ALA 35 N -0.91 2.33 0.39 5.51 0.00 -1.26 -0.99 121.76 126.82 1wgk s ALA 35 Ca 0.15 -2.48 -0.26 0.00 0.00 0.00 0.00 51.96 49.37 1wgk s ALA 35 Cb -0.11 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.04 1wgk s ALA 35 CO 0.05 -1.90 1.23 -0.51 0.00 0.00 0.00 175.76 174.63 1wgk s LEU 36 N 0.64 4.25 1.26 0.00 1.43 0.17 -4.88 118.68 121.55 1wgk s LEU 36 Ca 0.14 2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 55.53 1wgk s LEU 36 Cb -0.22 -3.91 0.31 0.00 0.03 0.00 0.00 46.19 42.40 1wgk s LEU 36 CO -0.07 -0.69 1.12 -2.16 0.23 0.00 0.00 176.35 174.77 1wgk s PRO 37 N -2.16 -1.65 -0.12 1.29 0.04 -1.26 -1.84 135.00 129.30 1wgk s PRO 37 Ca 0.55 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.36 1wgk s PRO 37 Cb -0.35 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1wgk s PRO 37 CO 0.44 -3.97 -0.07 0.20 0.04 0.00 0.00 177.00 173.64 1wgk s GLY 38 N -4.02 1.67 0.21 0.56 0.00 -1.26 -3.95 107.32 100.53 1wgk s GLY 38 Ca 0.72 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 44.43 1wgk s GLY 38 CO 0.56 -0.33 0.50 -0.86 0.00 0.00 0.00 173.10 172.96 1wgk s GLN 39 N -0.10 1.42 0.35 2.90 -2.07 -1.01 -4.74 119.66 116.41 1wgk s GLN 39 Ca 0.01 -0.99 0.09 0.00 -1.82 0.00 0.00 55.36 52.64 1wgk s GLN 39 Cb -0.13 0.50 0.82 0.00 -1.09 0.00 0.00 33.01 33.11 1wgk s GLN 39 CO 0.03 -0.59 1.85 0.93 -1.32 0.00 0.00 175.29 176.18 1wgk h GLU 40 N 2.24 0.67 -5.56 9.60 3.07 -1.89 -2.02 114.58 120.69 1wgk h GLU 40 Ca -0.28 -0.04 -0.65 0.00 -0.50 0.00 0.00 59.36 57.89 1wgk h GLU 40 Cb 1.25 -0.15 -0.11 0.00 -0.84 0.00 0.00 28.75 28.90 1wgk h GLU 40 CO 0.37 0.44 -0.52 -1.21 -1.40 0.00 0.00 179.01 176.69 1wgk s GLU 41 N -5.69 3.61 0.62 2.33 2.02 -1.26 -4.69 118.70 115.64 1wgk s GLU 41 Ca -0.10 -0.23 -0.16 0.00 0.02 0.00 0.00 54.97 54.49 1wgk s GLU 41 Cb 0.23 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 1wgk s GLU 41 CO 0.79 0.58 1.12 -1.25 0.02 0.00 0.00 175.26 176.52 1wgk s PRO 42 N -0.47 2.98 0.14 0.39 0.04 -1.26 -4.98 135.00 131.84 1wgk s PRO 42 Ca 0.11 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1wgk s PRO 42 Cb -0.12 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1wgk s PRO 42 CO 0.02 -1.12 1.24 -1.58 0.04 0.00 0.00 177.00 175.60 1wgk s TRP 43 N -2.14 3.38 0.15 0.56 0.52 -1.26 -4.95 118.94 115.20 1wgk s TRP 43 Ca 0.69 1.29 0.08 0.00 0.02 0.00 0.00 56.10 58.18 1wgk s TRP 43 Cb -0.22 -3.49 -0.04 0.00 -1.15 0.00 0.00 33.47 28.57 1wgk s TRP 43 CO 0.37 -1.50 -0.18 -0.51 0.02 0.00 0.00 176.95 175.15 1wgk s ASP 44 N 0.55 2.55 0.08 2.95 1.01 -1.26 -1.24 116.67 121.31 1wgk s ASP 44 Ca 0.57 -0.85 -0.16 0.00 0.71 0.00 0.00 52.55 52.82 1wgk s ASP 44 Cb -0.33 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.42 1wgk s ASP 44 CO 0.34 -0.05 0.98 -0.38 0.21 0.00 0.00 175.17 176.27 1wgk n ILE 45 N 0.36 -0.36 -0.26 0.77 2.08 -0.90 0.54 119.36 121.60 1wgk n ILE 45 Ca -0.14 1.53 0.02 0.00 0.56 0.00 0.00 62.75 64.72 1wgk n ILE 45 Cb 0.57 -1.91 0.06 0.00 -0.75 0.00 0.00 39.64 37.61 1wgk n ILE 45 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1wgk n ARG 46 N -4.33 -0.11 -0.02 0.38 0.63 -1.26 -0.38 116.66 111.56 1wgk n ARG 46 Ca 0.01 1.07 -0.11 0.00 -0.92 0.00 0.00 57.85 57.90 1wgk n ARG 46 Cb 0.14 -1.59 -0.10 0.00 0.45 0.00 0.00 32.46 31.36 1wgk n ARG 46 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1wgk h ASN 47 N 0.00 -0.05 -0.75 6.15 2.35 -0.17 -3.29 115.58 119.81 1wgk h ASN 47 Ca 0.29 -0.61 0.27 0.00 -0.55 0.00 0.00 56.30 55.69 1wgk h ASN 47 Cb 0.46 0.01 -0.14 0.00 0.05 0.00 0.00 38.32 38.70 1wgk h ASN 47 CO -0.70 0.67 0.23 -0.11 -1.65 0.00 0.00 177.43 175.87 1wgk n LEU 48 N -4.76 0.11 0.22 1.61 7.94 0.77 0.98 117.00 123.86 1wgk n LEU 48 Ca -0.08 1.27 -0.15 0.00 -1.11 0.00 0.00 56.01 55.94 1wgk n LEU 48 Cb 0.32 -0.55 -0.08 0.00 0.53 0.00 0.00 43.42 43.65 1wgk n LEU 48 CO 0.28 -1.36 0.61 -0.07 -1.11 0.00 0.00 177.39 175.75 1wgk h LEU 49 N 0.00 -0.47 -0.92 -1.96 -0.00 -1.25 -1.89 115.31 108.82 1wgk h LEU 49 Ca 0.56 -0.08 0.26 0.00 -0.00 0.00 0.00 57.88 58.62 1wgk h LEU 49 Cb 1.36 0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 41.98 1wgk h LEU 49 CO -0.64 -0.20 0.18 0.58 -0.00 0.00 0.00 178.44 178.37 1wgk h VAL 50 N -0.73 0.19 0.53 1.22 2.07 0.55 1.06 116.25 121.14 1wgk h VAL 50 Ca -0.06 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1wgk h VAL 50 Cb 0.52 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1wgk h VAL 50 CO 0.09 0.02 -0.25 -0.25 0.02 0.00 0.00 177.57 177.20 1wgk h TRP 51 N 0.12 -0.66 0.00 1.57 7.01 -1.31 -2.67 115.95 120.00 1wgk h TRP 51 Ca 0.59 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.57 1wgk h TRP 51 Cb 1.23 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.51 1wgk h TRP 51 CO -0.33 -0.41 0.11 0.82 -2.79 0.00 0.00 178.44 175.84 1wgk h ILE 52 N -0.98 0.00 0.00 2.65 2.04 -0.48 0.75 117.51 121.49 1wgk h ILE 52 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wgk h ILE 52 Cb 0.54 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1wgk h ILE 52 CO 0.12 0.00 -0.23 0.11 0.00 0.00 0.00 178.15 178.15 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 0.13 0.97 116.57 121.61 1wgk h LYS 53 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wgk h LYS 53 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1wgk h LYS 53 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1wgk n LYS 54 N -2.58 0.00 -0.05 3.15 5.02 0.12 -4.43 118.16 119.39 1wgk n LYS 54 Ca 0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 1wgk n LYS 54 Cb 0.48 -0.09 -0.04 0.00 -0.02 0.00 0.00 35.03 35.35 1wgk n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1wgk h ASN 55 N 0.00 -0.80 0.31 4.39 2.35 0.02 -3.20 115.58 118.65 1wgk h ASN 55 Ca 0.00 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1wgk h ASN 55 Cb 0.00 0.32 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1wgk h ASN 55 CO 0.00 -0.19 -0.15 0.25 -1.65 0.00 0.00 177.43 175.70 1wgk h LEU 56 N -0.19 -0.35 -9.07 1.61 5.85 -1.68 -3.42 115.31 108.04 1wgk h LEU 56 Ca 0.03 -0.15 -0.56 0.00 0.84 0.00 0.00 57.88 58.03 1wgk h LEU 56 Cb 0.27 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1wgk h LEU 56 CO -0.24 0.12 1.02 -0.22 -0.34 0.00 0.00 178.44 178.78 1wgk s LEU 57 N -9.14 4.02 -0.06 2.25 2.96 0.33 -4.62 118.68 114.42 1wgk s LEU 57 Ca -0.11 1.60 0.21 0.00 -0.22 0.00 0.00 54.13 55.60 1wgk s LEU 57 Cb 0.01 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.85 1wgk s LEU 57 CO 0.38 -1.04 0.38 0.29 -1.32 0.00 0.00 176.35 175.04 1wgk n LYS 58 N 7.23 0.67 -1.46 1.98 4.76 -1.24 -3.63 118.16 126.46 1wgk n LYS 58 Ca 0.16 -0.16 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 1wgk n LYS 58 Cb 0.45 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 32.29 1wgk n LYS 58 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wgk n GLU 59 N -2.34 -0.89 -1.73 1.97 1.02 -1.26 -4.96 120.64 112.44 1wgk n GLU 59 Ca -0.10 -1.57 -0.42 0.00 -0.02 0.00 0.00 57.16 55.06 1wgk n GLU 59 Cb 0.67 -0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 31.08 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wgk s ARG 60 N -5.11 4.14 -0.02 3.49 1.81 -1.26 -4.92 118.95 117.08 1wgk s ARG 60 Ca 0.56 2.57 -0.25 0.00 -1.72 0.00 0.00 55.73 56.88 1wgk s ARG 60 Cb -0.02 -3.57 -0.20 0.00 -0.45 0.00 0.00 34.95 30.72 1wgk s ARG 60 CO 0.39 -0.83 1.23 -1.00 -0.68 0.00 0.00 175.30 174.41 1wgk h PRO 61 N 8.49 -0.05 -1.49 3.54 0.13 -1.85 -3.11 132.00 137.67 1wgk h PRO 61 Ca -0.46 0.00 0.43 0.00 -0.87 0.00 0.00 66.00 65.11 1wgk h PRO 61 Cb 1.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1wgk h PRO 61 CO 0.95 0.43 1.19 1.05 -0.23 0.00 0.00 178.00 181.38 1wgk h GLU 62 N -0.54 0.00 0.26 0.86 4.11 -1.88 0.34 114.58 117.73 1wgk h GLU 62 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1wgk h GLU 62 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wgk h GLU 62 CO 0.01 0.00 -0.13 -0.07 0.07 0.00 0.00 179.01 178.89 1wgk h LEU 63 N 0.00 -0.30 0.09 3.06 4.07 -1.94 -3.41 115.31 116.88 1wgk h LEU 63 Ca 0.71 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.49 1wgk h LEU 63 Cb 3.08 0.08 0.00 0.00 1.08 0.00 0.00 40.66 44.90 1wgk h LEU 63 CO -0.01 0.20 -0.04 0.15 -1.08 0.00 0.00 178.44 177.66 1wgk h PHE 64 N -0.99 -0.11 -3.64 1.13 3.57 -0.68 -3.48 116.94 112.75 1wgk h PHE 64 Ca -0.04 -0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.94 1wgk h PHE 64 Cb 0.46 0.04 -0.20 0.00 2.79 0.00 0.00 35.95 39.04 1wgk h PHE 64 CO 0.04 -0.07 -0.80 0.42 -2.23 0.00 0.00 178.31 175.68 1wgk s ILE 65 N -1.97 1.67 -0.25 1.41 1.01 0.86 -4.45 121.20 119.48 1wgk s ILE 65 Ca -0.02 -1.70 0.02 0.00 0.00 0.00 0.00 60.65 58.95 1wgk s ILE 65 Cb 0.00 -1.64 0.06 0.00 0.01 0.00 0.00 42.46 40.90 1wgk s ILE 65 CO 0.05 -0.21 -0.06 -1.58 0.00 0.00 0.00 174.94 173.14 1wgk s GLN 66 N -2.34 1.76 0.29 2.79 -0.44 -1.25 -2.84 119.66 117.63 1wgk s GLN 66 Ca 0.10 -1.18 0.00 0.00 -2.50 0.00 0.00 55.36 51.78 1wgk s GLN 66 Cb -0.08 -2.71 0.00 0.00 -1.64 0.00 0.00 33.01 28.59 1wgk s GLN 66 CO 0.05 -0.63 0.00 0.41 0.50 0.00 0.00 175.29 175.61 1wgk n GLY 67 N 4.57 -2.54 0.27 2.59 0.00 -1.26 -4.24 105.19 104.57 1wgk n GLY 67 Ca -0.11 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.34 1wgk n GLY 67 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgk h ASP 68 N 0.00 0.00 -2.75 1.61 2.03 -1.98 -3.43 116.42 111.91 1wgk h ASP 68 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1wgk h ASP 68 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1wgk h ASP 68 CO 0.00 0.00 -0.55 -0.55 -1.03 0.00 0.00 179.24 177.11 1wgk s SER 69 N -5.00 5.65 0.36 4.15 0.15 -1.26 -4.43 113.70 113.33 1wgk s SER 69 Ca -0.02 -0.06 -0.26 0.00 0.70 0.00 0.00 55.95 56.31 1wgk s SER 69 Cb 0.10 -1.52 -0.09 0.00 -1.71 0.00 0.00 66.02 62.80 1wgk s SER 69 CO 0.41 0.08 1.10 0.68 1.20 0.00 0.00 173.24 176.71 1wgk s VAL 70 N -1.70 3.49 0.98 4.45 -7.23 -1.26 -3.82 120.40 115.30 1wgk s VAL 70 Ca 0.31 1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 61.62 1wgk s VAL 70 Cb -0.11 -3.72 0.04 0.00 0.56 0.00 0.00 36.38 33.15 1wgk s VAL 70 CO 0.24 0.14 0.29 0.54 -0.31 0.00 0.00 175.10 176.00 1wgk n ARG 71 N 0.35 -0.46 0.00 4.82 1.74 -1.26 -4.80 116.66 117.04 1wgk n ARG 71 Ca 0.03 -0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.06 1wgk n ARG 71 Cb 0.47 -1.80 0.30 0.00 -1.02 0.00 0.00 32.46 30.41 1wgk n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wgk n PRO 72 N -1.57 0.49 -0.04 5.56 -0.04 -1.26 -2.87 135.00 135.27 1wgk n PRO 72 Ca 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1wgk n PRO 72 Cb 0.55 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 1wgk n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wgk n GLY 73 N -0.01 -0.20 3.67 0.55 0.00 -1.26 -4.98 105.19 102.95 1wgk n GLY 73 Ca 0.08 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1wgk n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgk s ILE 74 N -2.18 3.68 -0.43 -0.61 -1.09 -1.14 -3.89 121.20 115.54 1wgk s ILE 74 Ca -0.10 0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 59.03 1wgk s ILE 74 Cb 0.03 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1wgk s ILE 74 CO 0.24 -0.06 0.47 -0.76 -1.23 0.00 0.00 174.94 173.60 1wgk s LEU 75 N 3.62 4.89 0.21 2.97 1.02 0.85 -4.73 118.68 127.51 1wgk s LEU 75 Ca 0.69 -0.71 -0.03 0.00 0.02 0.00 0.00 54.13 54.11 1wgk s LEU 75 Cb -0.32 -2.41 -0.05 0.00 0.02 0.00 0.00 46.19 43.44 1wgk s LEU 75 CO 0.27 -0.63 0.43 0.68 0.02 0.00 0.00 176.35 177.12 1wgk s VAL 76 N 2.21 5.14 -0.09 -1.59 -7.23 -1.26 -0.51 120.40 117.07 1wgk s VAL 76 Ca 0.13 -0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 1wgk s VAL 76 Cb -0.17 -3.71 0.05 0.00 0.56 0.00 0.00 36.38 33.11 1wgk s VAL 76 CO 0.13 -0.17 0.19 -0.76 -0.31 0.00 0.00 175.10 174.19 1wgk s LEU 77 N -3.25 0.09 -0.32 1.32 1.43 -0.10 -4.02 118.68 113.83 1wgk s LEU 77 Ca 0.41 0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 53.76 1wgk s LEU 77 Cb -0.11 0.46 -0.02 0.00 0.03 0.00 0.00 46.19 46.55 1wgk s LEU 77 CO 0.28 -0.21 0.44 -0.63 0.23 0.00 0.00 176.35 176.46 1wgk s ILE 78 N 1.96 5.10 -1.59 -0.59 1.01 0.25 -0.96 121.20 126.38 1wgk s ILE 78 Ca -0.02 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1wgk s ILE 78 Cb -0.12 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.59 1wgk s ILE 78 CO -0.07 -0.06 0.53 0.59 0.00 0.00 0.00 174.94 175.93 1wgk n ASN 79 N 5.54 -1.54 -2.75 3.58 3.02 0.54 -0.61 115.26 123.04 1wgk n ASN 79 Ca -0.07 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.28 1wgk n ASN 79 Cb 0.50 -2.63 0.06 0.00 -0.61 0.00 0.00 39.78 37.09 1wgk n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wgk n ASP 80 N -2.80 -3.11 -3.66 6.41 -0.08 -1.26 -5.03 116.55 107.03 1wgk n ASP 80 Ca -0.12 -0.43 -0.05 0.00 -1.51 0.00 0.00 54.79 52.68 1wgk n ASP 80 Cb 0.59 -3.82 -0.07 0.00 2.34 0.00 0.00 41.12 40.16 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgk s ALA 81 N -3.25 -1.68 -0.34 -1.67 0.00 0.22 -5.12 121.76 109.93 1wgk s ALA 81 Ca 0.15 2.07 -0.41 0.00 0.00 0.00 0.00 51.96 53.76 1wgk s ALA 81 Cb -0.06 -1.49 -0.16 0.00 0.00 0.00 0.00 23.12 21.41 1wgk s ALA 81 CO 0.53 -0.68 1.75 -3.47 0.00 0.00 0.00 175.76 173.89 1wgk n ASP 82 N 5.02 2.10 0.32 0.00 2.03 -1.26 -0.58 116.55 124.18 1wgk n ASP 82 Ca -0.14 1.05 0.20 0.00 0.52 0.00 0.00 54.79 56.42 1wgk n ASP 82 Cb 0.52 -1.09 1.10 0.00 -0.72 0.00 0.00 41.12 40.94 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1wgk h TRP 83 N 7.10 0.00 0.00 -0.67 5.08 -1.91 -0.70 115.95 124.85 1wgk h TRP 83 Ca -0.44 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.47 1wgk h TRP 83 Cb 1.33 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.48 1wgk h TRP 83 CO 0.76 0.00 -0.27 0.93 -1.28 0.00 0.00 178.44 178.58 1wgk h GLU 84 N 0.00 0.00 0.00 0.12 5.08 -1.89 0.33 114.58 118.22 1wgk h GLU 84 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1wgk h GLU 84 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1wgk h GLU 84 CO 0.00 0.27 -0.92 -0.07 -1.00 0.00 0.00 179.01 177.29 1wgk h LEU 85 N 0.00 0.00 0.00 1.33 4.07 -1.48 -3.41 115.31 115.82 1wgk h LEU 85 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wgk h LEU 85 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1wgk h LEU 85 CO 0.04 0.69 0.00 0.18 -1.08 0.00 0.00 178.44 178.27 1wgk n LEU 86 N -3.18 0.05 -2.83 1.67 4.77 -0.95 -5.02 117.00 111.51 1wgk n LEU 86 Ca -0.02 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1wgk n LEU 86 Cb 0.84 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1wgk n LEU 86 CO 0.43 -0.48 0.42 -0.83 -1.33 0.00 0.00 177.39 175.60 1wgk s GLY 87 N -2.52 -1.50 0.00 -0.72 0.00 0.11 -4.75 107.32 97.94 1wgk s GLY 87 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1wgk s GLY 87 CO 0.00 4.22 0.62 1.18 0.00 0.00 0.00 173.10 179.12 1wgk n GLU 88 N 3.81 0.00 -0.55 2.90 -0.58 -0.79 -1.54 120.64 123.89 1wgk n GLU 88 Ca 0.06 0.62 0.05 0.00 -0.42 0.00 0.00 57.16 57.47 1wgk n GLU 88 Cb 0.62 -0.97 0.20 0.00 -0.57 0.00 0.00 31.44 30.72 1wgk n GLU 88 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wgk n LEU 89 N -2.20 2.89 0.00 -4.62 4.77 -1.26 -4.53 117.00 112.06 1wgk n LEU 89 Ca 0.00 -3.75 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 1wgk n LEU 89 Cb 0.00 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1wgk n LEU 89 CO 0.00 1.27 -0.44 0.47 -1.33 0.00 0.00 177.39 177.36 1wgk n ASP 90 N -1.15 4.35 -4.67 -1.43 9.92 -1.06 -4.46 116.55 118.05 1wgk n ASP 90 Ca 0.21 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.05 1wgk n ASP 90 Cb 0.74 0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 41.62 1wgk n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgk n TYR 91 N -1.82 2.55 -3.37 1.24 4.19 -0.59 -4.88 117.16 114.47 1wgk n TYR 91 Ca 0.00 -0.32 -0.45 0.00 3.31 0.00 0.00 57.90 60.44 1wgk n TYR 91 Cb 0.44 -2.79 -0.06 0.00 0.49 0.00 0.00 39.34 37.41 1wgk n TYR 91 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1wgk s GLN 92 N 4.00 2.92 0.35 2.98 -0.21 -1.26 -2.13 119.66 126.31 1wgk s GLN 92 Ca 0.87 -1.60 -0.26 0.00 0.02 0.00 0.00 55.36 54.39 1wgk s GLN 92 Cb -0.44 -4.19 -0.13 0.00 1.00 0.00 0.00 33.01 29.25 1wgk s GLN 92 CO 0.41 -1.21 0.94 1.28 -2.12 0.00 0.00 175.29 174.59 1wgk n LEU 93 N 5.18 1.81 0.00 2.90 4.77 -0.37 -4.93 117.00 126.36 1wgk n LEU 93 Ca -0.13 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1wgk n LEU 93 Cb 0.41 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1wgk n LEU 93 CO 0.50 -1.65 0.00 0.00 -1.33 0.00 0.00 177.39 174.91 1wgk n GLN 94 N 0.50 0.00 -3.66 3.23 1.13 -1.26 -4.40 117.38 112.92 1wgk n GLN 94 Ca 0.10 0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 55.22 1wgk n GLN 94 Cb 0.35 -0.43 -0.01 0.00 0.11 0.00 0.00 30.24 30.26 1wgk n GLN 94 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wgk s ASP 95 N -2.31 -0.17 0.00 1.08 2.15 -1.26 -4.79 116.67 111.37 1wgk s ASP 95 Ca 0.00 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1wgk s ASP 95 Cb 0.00 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1wgk s ASP 95 CO 0.00 -0.62 0.00 0.00 -0.17 0.00 0.00 175.17 174.38 1wgk n GLN 96 N -0.40 -2.20 -3.04 4.34 1.13 0.33 -4.84 117.38 112.70 1wgk n GLN 96 Ca -0.07 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.64 1wgk n GLN 96 Cb 0.61 -3.99 -0.06 0.00 0.11 0.00 0.00 30.24 26.91 1wgk n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wgk s ASP 97 N -1.53 7.05 -0.22 1.08 1.01 -1.22 -4.84 116.67 118.01 1wgk s ASP 97 Ca 0.00 1.48 -0.07 0.00 0.71 0.00 0.00 52.55 54.67 1wgk s ASP 97 Cb 0.00 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1wgk s ASP 97 CO 0.00 -0.04 0.06 -0.55 0.21 0.00 0.00 175.17 174.85 1wgk s SER 98 N -1.77 5.30 -0.17 0.27 0.15 -1.26 -1.86 113.70 114.36 1wgk s SER 98 Ca 0.47 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1wgk s SER 98 Cb -0.16 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.23 1wgk s SER 98 CO 0.20 0.06 -0.16 -0.63 1.20 0.00 0.00 173.24 173.91 1wgk s ILE 99 N 1.07 2.51 -0.09 6.45 -1.09 -0.27 -0.34 121.20 129.44 1wgk s ILE 99 Ca 0.04 -0.81 -0.04 0.00 -2.23 0.00 0.00 60.65 57.61 1wgk s ILE 99 Cb -0.14 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1wgk s ILE 99 CO 0.03 0.51 0.07 -0.22 -1.23 0.00 0.00 174.94 174.10 1wgk s LEU 100 N 1.07 3.96 -0.21 2.97 2.96 -0.13 -2.03 118.68 127.27 1wgk s LEU 100 Ca -0.01 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1wgk s LEU 100 Cb -0.14 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.63 1wgk s LEU 100 CO -0.05 0.38 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.99 1wgk s PHE 101 N -0.98 1.73 -0.12 5.38 0.08 0.19 -0.93 117.98 123.32 1wgk s PHE 101 Ca 0.15 -1.28 -0.06 0.00 0.12 0.00 0.00 56.93 55.86 1wgk s PHE 101 Cb -0.12 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1wgk s PHE 101 CO 0.04 -0.68 0.10 0.42 -0.10 0.00 0.00 175.22 175.00 1wgk s ILE 102 N 1.62 5.14 -0.21 0.64 1.01 0.34 -2.59 121.20 127.16 1wgk s ILE 102 Ca -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1wgk s ILE 102 Cb -0.17 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1wgk s ILE 102 CO -0.07 0.59 0.00 -0.55 0.00 0.00 0.00 174.94 174.91 1wgk s SER 103 N -0.75 4.77 -0.15 3.58 0.15 -1.26 -0.11 113.70 119.94 1wgk s SER 103 Ca 0.13 -0.23 0.19 0.00 0.70 0.00 0.00 55.95 56.74 1wgk s SER 103 Cb -0.12 -1.82 0.45 0.00 -1.71 0.00 0.00 66.02 62.82 1wgk s SER 103 CO 0.03 0.04 1.17 1.07 1.20 0.00 0.00 173.24 176.75 1wgk n THR 104 N 4.41 1.14 -3.84 6.45 5.66 -1.25 -4.93 114.28 121.92 1wgk n THR 104 Ca -0.17 -2.38 -0.29 0.00 -3.05 0.00 0.00 64.05 58.15 1wgk n THR 104 Cb 0.52 0.49 -0.13 0.00 -1.55 0.00 0.00 70.33 69.65 1wgk n THR 104 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1wgk s LEU 105 N -2.08 3.91 0.42 1.09 2.96 -1.26 -4.94 118.68 118.78 1wgk s LEU 105 Ca 0.36 -3.20 0.07 0.00 -0.22 0.00 0.00 54.13 51.14 1wgk s LEU 105 Cb 0.37 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 1wgk s LEU 105 CO -0.09 -0.19 0.26 -2.28 -1.32 0.00 0.00 176.35 172.73 1wgk s HIS 106 N -0.50 2.59 0.16 5.38 2.46 -1.26 -5.10 115.29 119.02 1wgk s HIS 106 Ca 0.21 -0.57 -0.01 0.00 0.47 0.00 0.00 55.06 55.16 1wgk s HIS 106 Cb -0.17 -2.03 0.00 0.00 -0.13 0.00 0.00 32.58 30.25 1wgk s HIS 106 CO -0.07 0.04 0.22 0.41 -2.47 0.00 0.00 174.74 172.87 1wgk n GLY 107 N -1.38 2.68 0.85 1.59 0.00 -1.26 -5.12 105.19 102.55 1wgk n GLY 107 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1wgk n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgk n GLY 108 N -0.26 -2.81 0.70 -0.02 0.00 -1.26 -5.08 105.19 96.46 1wgk n GLY 108 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 1wgk n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgk n SER 109 N 0.00 1.20 0.00 1.61 2.88 -1.26 -5.15 113.62 112.90 1wgk n SER 109 Ca 0.00 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1wgk n SER 109 Cb 0.00 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1wgk n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgk n GLY 110 N 2.77 3.90 0.03 0.46 0.00 -1.26 -4.97 105.19 106.11 1wgk n GLY 110 Ca -0.04 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.52 1wgk n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgk n PRO 111 N -1.16 0.04 -1.70 1.61 -0.04 -1.26 -4.77 135.00 127.72 1wgk n PRO 111 Ca 0.00 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1wgk n PRO 111 Cb 0.00 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1wgk n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgk s SER 112 N -3.24 6.45 -0.49 3.54 0.15 -1.26 -4.93 113.70 113.92 1wgk s SER 112 Ca 0.06 2.68 -0.26 0.00 0.70 0.00 0.00 55.95 59.13 1wgk s SER 112 Cb 0.09 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1wgk s SER 112 CO 0.28 -1.04 0.97 -0.55 1.20 0.00 0.00 173.24 174.11 1wgk s SER 113 N 3.94 6.47 0.00 5.45 0.15 -1.26 -5.19 113.70 123.27 1wgk s SER 113 Ca 0.86 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1wgk s SER 113 Cb -0.43 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1wgk s SER 113 CO 0.40 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.30