#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgk s SER 2 N 0.00 5.30 -1.22 1.61 1.04 -1.26 -4.54 113.70 114.64 1wgk s SER 2 Ca 0.00 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 1wgk s SER 2 Cb 0.00 -1.38 0.01 0.00 0.10 0.00 0.00 66.02 64.75 1wgk s SER 2 CO 0.00 0.20 1.06 -0.24 0.98 0.00 0.00 173.24 175.24 1wgk n SER 3 N 0.72 -5.53 0.00 7.02 2.88 -1.26 -4.97 113.62 112.48 1wgk n SER 3 Ca -0.11 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1wgk n SER 3 Cb 0.52 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.34 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 -1.79 -0.43 3.30 0.46 0.00 -1.26 -5.00 105.19 100.47 1wgk n GLY 4 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1wgk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgk s SER 5 N -1.97 1.70 -0.13 1.61 0.01 -1.26 -5.16 113.70 108.50 1wgk s SER 5 Ca 0.00 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.01 1wgk s SER 5 Cb 0.00 0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.32 1wgk s SER 5 CO 0.00 -0.51 0.30 -0.44 0.41 0.00 0.00 173.24 173.00 1wgk s SER 6 N -3.27 -0.07 0.00 2.44 0.01 -1.26 -5.02 113.70 106.53 1wgk s SER 6 Ca 0.26 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1wgk s SER 6 Cb 0.05 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1wgk s SER 6 CO 0.07 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1wgk n GLY 7 N 4.77 -0.80 3.49 3.44 0.00 -1.26 -5.12 105.19 109.72 1wgk n GLY 7 Ca -0.16 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1wgk n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wgk s MET 8 N 0.00 3.24 0.67 1.61 1.00 -1.26 -4.86 119.30 119.70 1wgk s MET 8 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 55.69 55.01 1wgk s MET 8 Cb 0.00 -4.04 -0.13 0.00 0.00 0.00 0.00 34.83 30.66 1wgk s MET 8 CO 0.00 -1.25 -0.44 0.00 0.00 0.00 0.00 175.02 173.33 1wgk n ALA 9 N 6.63 -4.11 -2.39 3.03 0.00 -1.25 -4.83 120.51 117.59 1wgk n ALA 9 Ca -0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.83 1wgk n ALA 9 Cb 0.47 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1wgk n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgk s ALA 10 N -1.71 3.66 0.08 0.00 0.00 -1.26 -3.93 121.76 118.59 1wgk s ALA 10 Ca 0.41 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 1wgk s ALA 10 Cb -0.27 -2.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.56 1wgk s ALA 10 CO 0.65 -0.30 1.39 -1.25 0.00 0.00 0.00 175.76 176.24 1wgk s PRO 11 N -4.54 4.32 0.11 0.00 0.04 -1.26 -4.02 135.00 129.64 1wgk s PRO 11 Ca 0.46 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.51 1wgk s PRO 11 Cb -0.10 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1wgk s PRO 11 CO 0.39 -0.47 0.30 -0.48 0.04 0.00 0.00 177.00 176.78 1wgk s LEU 12 N 1.48 4.31 -0.06 -3.56 0.05 0.20 -4.90 118.68 116.19 1wgk s LEU 12 Ca 0.64 0.44 0.05 0.00 0.05 0.00 0.00 54.13 55.31 1wgk s LEU 12 Cb -0.35 -3.15 -0.02 0.00 -2.05 0.00 0.00 46.19 40.62 1wgk s LEU 12 CO 0.29 0.10 -0.20 0.00 -0.55 0.00 0.00 176.35 175.99 1wgk s VAL 14 N -0.29 0.31 -0.45 0.00 -7.23 0.37 -1.85 120.40 111.25 1wgk s VAL 14 Ca 0.01 -0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 59.77 1wgk s VAL 14 Cb -0.13 -0.27 0.03 0.00 0.56 0.00 0.00 36.38 36.57 1wgk s VAL 14 CO 0.03 0.06 0.62 -0.54 -0.31 0.00 0.00 175.10 174.96 1wgk s LYS 15 N -0.17 3.22 -0.16 4.82 1.02 -1.00 -0.88 119.74 126.60 1wgk s LYS 15 Ca 0.01 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 1wgk s LYS 15 Cb -0.02 -3.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 1wgk s LYS 15 CO -0.00 -1.05 0.19 0.08 -0.92 0.00 0.00 175.35 173.65 1wgk s VAL 16 N 2.73 5.38 -0.02 3.17 1.01 -0.22 -1.28 120.40 131.17 1wgk s VAL 16 Ca 0.20 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1wgk s VAL 16 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1wgk s VAL 16 CO 0.17 0.48 -0.10 -0.70 0.00 0.00 0.00 175.10 174.95 1wgk s GLU 17 N -0.04 0.96 -0.04 2.72 2.12 -0.41 0.21 118.70 124.22 1wgk s GLU 17 Ca 0.13 -0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.19 1wgk s GLU 17 Cb -0.12 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.35 1wgk s GLU 17 CO 0.02 0.14 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.60 1wgk s PHE 18 N 0.09 2.48 0.00 5.30 0.40 -1.11 -0.85 117.98 124.29 1wgk s PHE 18 Ca -0.02 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1wgk s PHE 18 Cb -0.08 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.88 1wgk s PHE 18 CO 0.00 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.30 1wgk n GLY 19 N 2.59 -3.10 3.73 4.36 0.00 -1.06 -4.46 105.19 107.25 1wgk n GLY 19 Ca -0.17 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 2.53 0.00 -0.02 0.00 -1.26 -3.66 107.32 104.91 1wgk s GLY 20 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1wgk s GLY 20 CO 0.00 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.60 1wgk n GLY 21 N 2.96 3.03 0.20 0.20 0.00 -1.26 -4.78 105.19 105.54 1wgk n GLY 21 Ca -0.05 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 0.31 -1.06 4.61 0.00 -1.91 -3.19 119.26 118.03 1wgk h ALA 22 Ca 0.00 -0.51 0.34 0.00 0.00 0.00 0.00 54.91 54.74 1wgk h ALA 22 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 1wgk h ALA 22 CO 0.00 0.51 0.62 1.05 0.00 0.00 0.00 179.25 181.43 1wgk h GLU 23 N 0.37 0.27 -0.96 0.00 4.11 -1.78 0.62 114.58 117.22 1wgk h GLU 23 Ca -0.02 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.51 1wgk h GLU 23 Cb 1.15 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 1wgk h GLU 23 CO 0.11 0.18 0.59 -0.07 0.07 0.00 0.00 179.01 179.90 1wgk h LEU 24 N 0.28 0.87 0.00 3.06 3.38 -1.86 0.38 115.31 121.42 1wgk h LEU 24 Ca 0.74 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.76 1wgk h LEU 24 Cb 1.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1wgk h LEU 24 CO -0.55 0.47 0.00 0.18 0.09 0.00 0.00 178.44 178.63 1wgk n LEU 25 N -4.65 0.00 -3.57 1.67 4.77 0.22 -3.18 117.00 112.26 1wgk n LEU 25 Ca 0.18 0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 1wgk n LEU 25 Cb 0.33 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1wgk n LEU 25 CO 0.27 -0.28 -0.28 -0.36 -1.33 0.00 0.00 177.39 175.42 1wgk s PHE 26 N -2.71 1.41 -0.01 -1.77 0.40 0.12 -2.45 117.98 112.97 1wgk s PHE 26 Ca 0.05 -2.12 0.00 0.00 -0.60 0.00 0.00 56.93 54.27 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 0.11 -0.80 0.00 -0.25 0.70 0.00 0.00 175.22 174.98 1wgk n ASP 27 N 3.59 -0.82 -3.60 1.36 8.00 -1.25 -2.13 116.55 121.70 1wgk n ASP 27 Ca 0.13 0.40 -0.21 0.00 0.71 0.00 0.00 54.79 55.82 1wgk n ASP 27 Cb 0.37 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgk n GLY 28 N -0.40 -1.10 2.93 0.44 0.00 -0.45 -4.96 105.19 101.64 1wgk n GLY 28 Ca -0.00 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.82 0.08 -0.02 1.61 1.01 -0.91 -4.86 120.40 114.49 1wgk s VAL 29 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1wgk s VAL 29 Cb -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 36.38 36.03 1wgk s VAL 29 CO 0.76 -0.24 1.22 0.11 0.00 0.00 0.00 175.10 176.96 1wgk h LYS 30 N 5.41 0.07 -6.16 2.72 6.56 -1.91 -3.42 116.57 119.84 1wgk h LYS 30 Ca -0.28 -0.05 -0.69 0.00 -1.06 0.00 0.00 60.65 58.58 1wgk h LYS 30 Cb 1.21 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.62 1wgk h LYS 30 CO 0.46 0.61 -0.80 0.15 -2.06 0.00 0.00 179.45 177.81 1wgk s LYS 31 N -4.01 2.60 -0.08 3.15 1.02 -1.26 -2.74 119.74 118.42 1wgk s LYS 31 Ca -0.16 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.09 1wgk s LYS 31 Cb 0.02 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1wgk s LYS 31 CO 0.69 0.52 -0.08 -1.01 -0.92 0.00 0.00 175.35 174.56 1wgk s HIS 32 N -0.48 1.26 -0.29 3.18 3.76 0.13 -5.01 115.29 117.84 1wgk s HIS 32 Ca 0.06 -0.52 -0.26 0.00 -0.15 0.00 0.00 55.06 54.19 1wgk s HIS 32 Cb -0.12 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.55 1wgk s HIS 32 CO 0.01 -0.36 0.94 -0.65 -0.85 0.00 0.00 174.74 173.83 1wgk s GLN 33 N 1.26 4.07 -0.05 1.40 1.11 -1.26 -1.06 119.66 125.14 1wgk s GLN 33 Ca -0.04 0.93 0.00 0.00 0.01 0.00 0.00 55.36 56.26 1wgk s GLN 33 Cb -0.14 -3.71 -0.03 0.00 -1.01 0.00 0.00 33.01 28.12 1wgk s GLN 33 CO -0.03 -0.73 -0.03 0.08 0.01 0.00 0.00 175.29 174.59 1wgk s VAL 34 N 3.23 4.02 -0.41 1.09 1.01 -0.06 -4.99 120.40 124.29 1wgk s VAL 34 Ca 0.39 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1wgk s VAL 34 Cb -0.14 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.68 1wgk s VAL 34 CO 0.12 0.53 0.25 0.00 0.00 0.00 0.00 175.10 175.99 1wgk s ALA 35 N -0.92 1.67 0.46 5.51 0.00 -1.26 -0.48 121.76 126.74 1wgk s ALA 35 Ca 0.15 -2.34 -0.22 0.00 0.00 0.00 0.00 51.96 49.55 1wgk s ALA 35 Cb -0.11 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.17 1wgk s ALA 35 CO 0.04 -2.07 1.10 -0.51 0.00 0.00 0.00 175.76 174.32 1wgk s LEU 36 N 0.54 3.96 1.23 0.00 1.43 0.14 -4.85 118.68 121.13 1wgk s LEU 36 Ca 0.19 2.12 -0.20 0.00 -1.03 0.00 0.00 54.13 55.21 1wgk s LEU 36 Cb -0.21 -4.36 0.30 0.00 0.03 0.00 0.00 46.19 41.95 1wgk s LEU 36 CO -0.02 -0.83 1.11 -2.16 0.23 0.00 0.00 176.35 174.69 1wgk s PRO 37 N -2.88 -1.44 -0.09 1.29 0.04 -1.26 -0.63 135.00 130.03 1wgk s PRO 37 Ca 0.65 -0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.55 1wgk s PRO 37 Cb -0.23 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1wgk s PRO 37 CO 0.28 -3.84 -0.10 0.20 0.04 0.00 0.00 177.00 173.58 1wgk s GLY 38 N -3.95 1.61 0.29 0.56 0.00 -1.26 -4.18 107.32 100.39 1wgk s GLY 38 Ca 0.72 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 44.52 1wgk s GLY 38 CO 0.56 -0.47 0.39 0.61 0.00 0.00 0.00 173.10 174.19 1wgk n GLN 39 N 2.81 0.56 0.00 2.90 10.64 -1.25 -4.60 117.38 128.44 1wgk n GLN 39 Ca -0.18 -2.34 -0.01 0.00 -1.83 0.00 0.00 57.00 52.63 1wgk n GLN 39 Cb 0.53 2.23 0.26 0.00 -0.86 0.00 0.00 30.24 32.39 1wgk n GLN 39 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1wgk h GLU 40 N 0.00 0.52 -5.91 2.61 9.09 -1.93 -3.31 114.58 115.65 1wgk h GLU 40 Ca -0.22 -0.14 -0.67 0.00 0.05 0.00 0.00 59.36 58.38 1wgk h GLU 40 Cb 0.98 -0.06 -0.12 0.00 -1.65 0.00 0.00 28.75 27.90 1wgk h GLU 40 CO 0.30 0.62 -0.58 -1.83 0.05 0.00 0.00 179.01 177.57 1wgk s GLU 41 N -4.80 3.09 0.38 1.06 -1.05 -1.26 -4.99 118.70 111.14 1wgk s GLU 41 Ca -0.07 -0.37 -0.26 0.00 -0.15 0.00 0.00 54.97 54.11 1wgk s GLU 41 Cb 0.15 -2.89 -0.09 0.00 -0.44 0.00 0.00 34.13 30.86 1wgk s GLU 41 CO 0.78 0.71 1.20 -1.25 0.95 0.00 0.00 175.26 177.64 1wgk s PRO 42 N -1.13 4.14 -0.25 -4.83 0.04 -1.26 -4.93 135.00 126.78 1wgk s PRO 42 Ca 0.16 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 1wgk s PRO 42 Cb -0.12 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1wgk s PRO 42 CO 0.05 -0.27 2.00 -1.58 0.04 0.00 0.00 177.00 177.24 1wgk s TRP 43 N -1.33 1.49 0.10 0.56 0.52 -1.25 -4.83 118.94 114.20 1wgk s TRP 43 Ca 0.55 0.53 0.02 0.00 0.02 0.00 0.00 56.10 57.22 1wgk s TRP 43 Cb -0.33 -4.03 -0.04 0.00 -1.15 0.00 0.00 33.47 27.92 1wgk s TRP 43 CO 0.42 -3.61 0.20 0.16 0.02 0.00 0.00 176.95 174.14 1wgk s ASP 44 N 6.99 6.13 0.27 2.95 1.47 -1.26 -0.16 116.67 133.06 1wgk s ASP 44 Ca 0.90 0.16 -0.09 0.00 1.18 0.00 0.00 52.55 54.70 1wgk s ASP 44 Cb -0.29 -1.82 0.43 0.00 -0.34 0.00 0.00 42.92 40.91 1wgk s ASP 44 CO 0.34 0.13 1.57 0.40 0.68 0.00 0.00 175.17 178.29 1wgk h ILE 45 N 2.05 0.03 -0.96 2.11 1.08 -1.77 0.13 117.51 120.18 1wgk h ILE 45 Ca -0.46 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.12 1wgk h ILE 45 Cb 1.17 0.03 -0.14 0.00 -3.07 0.00 0.00 36.82 34.82 1wgk h ILE 45 CO 0.71 0.00 -0.49 -0.09 -0.69 0.00 0.00 178.15 177.59 1wgk h ARG 46 N -0.00 -0.02 -0.06 2.37 2.43 -1.81 -0.94 114.38 116.36 1wgk h ARG 46 Ca 0.46 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.59 1wgk h ARG 46 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1wgk h ARG 46 CO -0.99 -0.01 -0.11 -0.91 -1.51 0.00 0.00 179.97 176.43 1wgk h ASN 47 N -0.02 0.20 -0.77 -3.80 2.35 -1.19 -3.23 115.58 109.12 1wgk h ASN 47 Ca 0.24 -0.56 0.28 0.00 -0.55 0.00 0.00 56.30 55.71 1wgk h ASN 47 Cb 0.50 -0.06 -0.14 0.00 0.05 0.00 0.00 38.32 38.68 1wgk h ASN 47 CO -0.94 0.72 0.25 -0.11 -1.65 0.00 0.00 177.43 175.70 1wgk n LEU 48 N -4.66 0.12 0.00 1.61 7.94 0.19 0.14 117.00 122.35 1wgk n LEU 48 Ca -0.08 1.28 -0.09 0.00 -1.11 0.00 0.00 56.01 56.01 1wgk n LEU 48 Cb 0.35 -0.56 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 1wgk n LEU 48 CO 0.37 -1.38 0.75 -0.07 -1.11 0.00 0.00 177.39 175.95 1wgk h LEU 49 N 0.00 -0.52 -1.02 -1.96 -0.00 -1.35 0.83 115.31 111.29 1wgk h LEU 49 Ca 0.57 0.09 0.25 0.00 -0.00 0.00 0.00 57.88 58.80 1wgk h LEU 49 Cb 1.41 0.24 -0.12 0.00 -0.00 0.00 0.00 40.66 42.19 1wgk h LEU 49 CO -0.64 -0.22 0.60 0.58 -0.00 0.00 0.00 178.44 178.76 1wgk h VAL 50 N -0.22 0.53 0.28 1.22 2.07 0.10 1.04 116.25 121.27 1wgk h VAL 50 Ca 0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1wgk h VAL 50 Cb 0.35 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1wgk h VAL 50 CO -0.25 0.10 -0.13 -0.25 0.02 0.00 0.00 177.57 177.06 1wgk h TRP 51 N 0.57 -0.35 0.00 1.57 7.01 -1.15 -2.60 115.95 121.00 1wgk h TRP 51 Ca 0.65 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.64 1wgk h TRP 51 Cb 1.25 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.43 1wgk h TRP 51 CO -0.01 -0.19 0.07 0.82 -2.79 0.00 0.00 178.44 176.34 1wgk h ILE 52 N -1.09 0.00 0.00 2.65 2.04 -0.38 1.12 117.51 121.85 1wgk h ILE 52 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1wgk h ILE 52 Cb 0.31 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1wgk h ILE 52 CO 0.06 0.00 -0.65 0.11 0.00 0.00 0.00 178.15 177.67 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 0.11 0.16 116.57 120.78 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1wgk h LYS 53 CO 0.00 0.00 -0.05 1.63 -0.57 0.00 0.00 179.45 180.46 1wgk n LYS 54 N -2.45 0.03 0.01 3.15 5.02 0.88 -4.48 118.16 120.31 1wgk n LYS 54 Ca 0.02 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1wgk n LYS 54 Cb 0.49 -0.29 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 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 -0.05 -0.09 0.00 4.39 2.35 0.85 -3.35 115.58 119.69 1wgk h ASN 55 Ca 0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1wgk h ASN 55 Cb 0.05 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1wgk h ASN 55 CO 0.00 -0.03 -0.00 0.25 -1.65 0.00 0.00 177.43 175.99 1wgk h LEU 56 N -0.05 -0.00 -8.76 1.61 5.85 -1.68 -3.43 115.31 108.85 1wgk h LEU 56 Ca -0.00 0.00 -0.74 0.00 0.84 0.00 0.00 57.88 57.98 1wgk h LEU 56 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1wgk h LEU 56 CO -0.01 -0.00 1.10 -0.11 -0.34 0.00 0.00 178.44 179.07 1wgk n LEU 57 N -2.02 1.92 -0.02 2.25 7.94 0.57 -4.75 117.00 122.89 1wgk n LEU 57 Ca -0.00 0.84 0.06 0.00 -1.11 0.00 0.00 56.01 55.80 1wgk n LEU 57 Cb 0.00 -1.10 -0.15 0.00 0.53 0.00 0.00 43.42 42.69 1wgk n LEU 57 CO 0.00 -0.61 -0.77 1.17 -1.11 0.00 0.00 177.39 176.07 1wgk n LYS 58 N 6.41 0.66 -2.89 1.96 3.00 -1.03 -4.28 118.16 121.98 1wgk n LYS 58 Ca 0.36 -0.12 -0.21 0.00 -0.00 0.00 0.00 58.31 58.34 1wgk n LYS 58 Cb 0.11 -1.55 0.08 0.00 0.00 0.00 0.00 35.03 33.67 1wgk n LYS 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wgk s GLU 59 N -3.27 2.01 0.28 1.64 0.41 -1.23 -5.04 118.70 113.49 1wgk s GLU 59 Ca -0.08 -1.53 -0.30 0.00 -0.41 0.00 0.00 54.97 52.65 1wgk s GLU 59 Cb 0.12 -2.53 -0.12 0.00 -1.78 0.00 0.00 34.13 29.82 1wgk s GLU 59 CO 0.88 -1.14 1.57 0.54 -0.49 0.00 0.00 175.26 176.62 1wgk n ARG 60 N -2.49 2.59 -0.05 1.61 5.12 -1.26 -4.93 116.66 117.25 1wgk n ARG 60 Ca 0.16 0.92 -0.13 0.00 -1.93 0.00 0.00 57.85 56.88 1wgk n ARG 60 Cb 0.61 -2.69 -0.07 0.00 -1.16 0.00 0.00 32.46 29.16 1wgk n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1wgk h PRO 61 N 4.80 0.33 -0.89 5.56 0.13 -1.87 -3.08 132.00 136.98 1wgk h PRO 61 Ca -0.46 -0.17 0.26 0.00 -0.87 0.00 0.00 66.00 64.75 1wgk h PRO 61 Cb 1.23 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1wgk h PRO 61 CO 0.80 0.72 1.06 1.05 -0.23 0.00 0.00 178.00 181.39 1wgk h GLU 62 N -0.05 0.00 0.00 0.86 4.11 -1.88 0.64 114.58 118.26 1wgk h GLU 62 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1wgk h GLU 62 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wgk h GLU 62 CO 0.03 0.00 -0.00 -0.07 0.07 0.00 0.00 179.01 179.04 1wgk h LEU 63 N 0.00 0.00 0.00 3.06 -0.00 -1.93 -3.42 115.31 113.02 1wgk h LEU 63 Ca 0.42 -0.95 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 1wgk h LEU 63 Cb 2.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 43.19 1wgk h LEU 63 CO -0.00 0.98 -0.03 0.15 -0.00 0.00 0.00 178.44 179.53 1wgk h PHE 64 N -1.00 0.00 -3.67 1.13 3.57 -0.07 -3.49 116.94 113.42 1wgk h PHE 64 Ca -0.00 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.02 1wgk h PHE 64 Cb 0.95 0.00 -0.20 0.00 2.79 0.00 0.00 35.95 39.50 1wgk h PHE 64 CO 0.27 0.00 -0.79 0.42 -2.23 0.00 0.00 178.31 175.98 1wgk s ILE 65 N -1.27 1.53 -0.29 1.41 1.01 0.16 -4.38 121.20 119.37 1wgk s ILE 65 Ca -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 60.65 59.01 1wgk s ILE 65 Cb 0.00 -1.54 0.08 0.00 0.01 0.00 0.00 42.46 41.01 1wgk s ILE 65 CO 0.01 -0.26 0.00 -1.58 0.00 0.00 0.00 174.94 173.12 1wgk s GLN 66 N -2.33 1.48 0.29 2.79 2.00 -1.25 -2.79 119.66 119.85 1wgk s GLN 66 Ca 0.08 -1.35 0.00 0.00 -2.00 0.00 0.00 55.36 52.09 1wgk s GLN 66 Cb -0.07 -2.72 0.00 0.00 0.80 0.00 0.00 33.01 31.01 1wgk s GLN 66 CO 0.04 -0.78 0.00 0.41 -0.50 0.00 0.00 175.29 174.46 1wgk n GLY 67 N 4.53 -1.79 0.08 2.59 0.00 -1.26 -4.30 105.19 105.04 1wgk n GLY 67 Ca -0.05 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.19 1wgk n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wgk n ASP 68 N 0.26 0.43 -4.68 1.61 9.92 -1.26 -4.72 116.55 118.11 1wgk n ASP 68 Ca 0.00 0.60 -0.25 0.00 -0.53 0.00 0.00 54.79 54.61 1wgk n ASP 68 Cb 0.00 -0.70 -0.07 0.00 -0.64 0.00 0.00 41.12 39.71 1wgk n ASP 68 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1wgk s SER 69 N -3.80 4.80 0.24 -2.24 0.15 -1.26 -4.71 113.70 106.88 1wgk s SER 69 Ca 0.05 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1wgk s SER 69 Cb 0.09 -1.02 -0.09 0.00 -1.71 0.00 0.00 66.02 63.30 1wgk s SER 69 CO 0.35 0.06 1.11 0.68 1.20 0.00 0.00 173.24 176.63 1wgk s VAL 70 N -1.91 3.61 1.00 4.45 -7.23 -1.26 -3.77 120.40 115.29 1wgk s VAL 70 Ca 0.29 1.52 -0.18 0.00 -1.81 0.00 0.00 61.98 61.81 1wgk s VAL 70 Cb -0.08 -3.97 -0.09 0.00 0.56 0.00 0.00 36.38 32.80 1wgk s VAL 70 CO 0.20 0.32 -0.55 0.54 -0.31 0.00 0.00 175.10 175.30 1wgk n ARG 71 N 1.66 -0.23 0.00 4.82 1.74 -1.26 -4.75 116.66 118.64 1wgk n ARG 71 Ca 0.00 -0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.08 1wgk n ARG 71 Cb 0.45 -1.29 0.30 0.00 -1.02 0.00 0.00 32.46 30.91 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 0.99 0.49 -0.01 5.56 -0.04 -1.26 -2.77 135.00 137.96 1wgk n PRO 72 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1wgk n PRO 72 Cb 0.59 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.02 -0.10 3.59 0.55 0.00 -1.26 -4.97 105.19 102.98 1wgk n GLY 73 Ca 0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.05 3.72 -0.25 -0.61 -1.09 -1.11 -3.08 121.20 116.73 1wgk s ILE 74 Ca -0.01 0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 58.93 1wgk s ILE 74 Cb 0.01 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1wgk s ILE 74 CO 0.09 -0.78 0.46 -0.76 -1.23 0.00 0.00 174.94 172.72 1wgk s LEU 75 N 6.25 4.07 0.15 2.97 1.43 0.70 -4.66 118.68 129.60 1wgk s LEU 75 Ca 0.64 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1wgk s LEU 75 Cb -0.15 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1wgk s LEU 75 CO 0.30 -0.22 0.28 0.68 0.23 0.00 0.00 176.35 177.62 1wgk s VAL 76 N 2.03 5.29 -0.13 -1.59 -7.23 -1.26 -0.80 120.40 116.71 1wgk s VAL 76 Ca 0.20 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.62 1wgk s VAL 76 Cb -0.16 -3.72 0.06 0.00 0.56 0.00 0.00 36.38 33.12 1wgk s VAL 76 CO 0.09 -0.10 0.18 -0.76 -0.31 0.00 0.00 175.10 174.21 1wgk s LEU 77 N -3.24 -0.09 -0.32 1.32 1.43 -0.11 -3.71 118.68 113.97 1wgk s LEU 77 Ca 0.34 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.44 1wgk s LEU 77 Cb -0.11 0.32 -0.02 0.00 0.03 0.00 0.00 46.19 46.42 1wgk s LEU 77 CO 0.28 -0.27 0.46 -0.63 0.23 0.00 0.00 176.35 176.42 1wgk s ILE 78 N 2.31 5.08 -1.48 -0.59 1.01 -0.47 -1.07 121.20 125.99 1wgk s ILE 78 Ca 0.04 0.44 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 1wgk s ILE 78 Cb -0.13 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1wgk s ILE 78 CO -0.08 -0.07 0.78 0.59 0.00 0.00 0.00 174.94 176.16 1wgk n ASN 79 N 5.57 -2.80 -3.16 3.58 3.02 -0.82 -1.56 115.26 119.09 1wgk n ASN 79 Ca -0.06 -0.87 -0.16 0.00 -0.03 0.00 0.00 54.58 53.46 1wgk n ASN 79 Cb 0.49 -3.61 0.08 0.00 -0.61 0.00 0.00 39.78 36.13 1wgk n ASN 79 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wgk n ASP 80 N -2.89 -2.66 -3.57 6.41 8.00 -1.26 -5.02 116.55 115.56 1wgk n ASP 80 Ca -0.11 -0.54 -0.01 0.00 0.71 0.00 0.00 54.79 54.85 1wgk n ASP 80 Cb 0.59 -4.58 -0.04 0.00 -0.02 0.00 0.00 41.12 37.07 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgk s ALA 81 N -3.31 -2.04 -0.38 2.24 0.00 -0.60 -5.12 121.76 112.55 1wgk s ALA 81 Ca 0.08 2.22 -0.45 0.00 0.00 0.00 0.00 51.96 53.82 1wgk s ALA 81 Cb -0.04 -1.82 -0.19 0.00 0.00 0.00 0.00 23.12 21.07 1wgk s ALA 81 CO 0.65 -0.99 1.56 -0.25 0.00 0.00 0.00 175.76 176.73 1wgk n ASP 82 N 5.44 1.32 0.13 0.00 8.00 -1.26 -1.37 116.55 128.82 1wgk n ASP 82 Ca -0.10 1.16 0.08 0.00 0.71 0.00 0.00 54.79 56.64 1wgk n ASP 82 Cb 0.49 -0.95 0.44 0.00 -0.02 0.00 0.00 41.12 41.09 1wgk n ASP 82 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1wgk n TRP 83 N 3.94 0.55 -0.05 1.24 4.27 -1.24 -1.76 117.44 124.39 1wgk n TRP 83 Ca 0.28 0.29 -0.12 0.00 -3.89 0.00 0.00 57.50 54.07 1wgk n TRP 83 Cb 0.00 -0.92 -0.06 0.00 -1.36 0.00 0.00 31.31 28.98 1wgk n TRP 83 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1wgk h GLU 84 N 0.00 0.27 -0.17 -2.67 5.08 -1.88 0.93 114.58 116.14 1wgk h GLU 84 Ca 0.00 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1wgk h GLU 84 Cb 0.13 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wgk h GLU 84 CO 0.00 0.47 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.03 1wgk h LEU 85 N 0.03 0.38 0.00 1.33 -0.00 -1.70 -3.35 115.31 112.00 1wgk h LEU 85 Ca 0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1wgk h LEU 85 Cb 0.34 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1wgk h LEU 85 CO 0.01 0.73 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.08 1wgk h LEU 86 N 0.31 0.00 0.00 1.67 3.38 -1.50 -3.49 115.31 115.68 1wgk h LEU 86 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wgk h LEU 86 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wgk h LEU 86 CO 0.06 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1wgk n GLY 87 N 1.90 -1.41 0.29 0.83 0.00 0.30 -4.68 105.19 102.41 1wgk n GLY 87 Ca -0.00 0.91 -0.04 0.00 0.00 0.00 0.00 46.02 46.89 1wgk n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgk n GLU 88 N 0.00 -0.24 0.00 1.61 1.02 0.32 -1.84 120.64 121.50 1wgk n GLU 88 Ca 0.00 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1wgk n GLU 88 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 1wgk n GLU 88 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wgk n LEU 89 N -4.96 0.26 0.13 -4.62 4.77 -1.26 -4.57 117.00 106.75 1wgk n LEU 89 Ca 0.04 -0.44 0.04 0.00 -0.03 0.00 0.00 56.01 55.62 1wgk n LEU 89 Cb 0.23 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1wgk n LEU 89 CO -0.11 0.07 0.33 -0.78 -1.33 0.00 0.00 177.39 175.57 1wgk h ASP 90 N 0.00 0.00 -4.07 -1.43 1.82 -1.89 -3.37 116.42 107.48 1wgk h ASP 90 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1wgk h ASP 90 Cb 0.08 0.00 0.13 0.00 0.68 0.00 0.00 39.33 40.22 1wgk h ASP 90 CO 0.00 0.41 0.54 -0.47 -1.61 0.00 0.00 179.24 178.11 1wgk s TYR 91 N -3.02 2.32 -0.37 0.28 6.14 -0.77 -4.97 117.35 116.97 1wgk s TYR 91 Ca 0.03 1.46 0.02 0.00 0.64 0.00 0.00 57.07 59.21 1wgk s TYR 91 Cb 0.08 -3.64 0.11 0.00 0.42 0.00 0.00 41.96 38.92 1wgk s TYR 91 CO 0.75 -2.58 0.13 -0.65 0.64 0.00 0.00 175.55 173.84 1wgk s GLN 92 N -3.12 1.22 0.18 4.97 -1.52 -1.26 -2.97 119.66 117.16 1wgk s GLN 92 Ca 0.75 -1.71 -0.33 0.00 -1.95 0.00 0.00 55.36 52.12 1wgk s GLN 92 Cb -0.36 -2.60 -0.14 0.00 -0.22 0.00 0.00 33.01 29.69 1wgk s GLN 92 CO 0.40 -1.02 1.53 1.28 -0.25 0.00 0.00 175.29 177.23 1wgk n LEU 93 N 4.18 3.09 0.00 2.90 4.77 0.77 -4.89 117.00 127.81 1wgk n LEU 93 Ca 0.03 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1wgk n LEU 93 Cb 0.39 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1wgk n LEU 93 CO 0.20 -0.35 0.00 0.00 -1.33 0.00 0.00 177.39 175.91 1wgk n GLN 94 N 3.02 0.00 -3.81 3.23 1.13 -1.26 -3.75 117.38 115.93 1wgk n GLN 94 Ca 0.15 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.20 1wgk n GLN 94 Cb 0.29 -0.46 0.00 0.00 0.11 0.00 0.00 30.24 30.18 1wgk n GLN 94 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wgk s ASP 95 N -3.88 -0.05 0.00 1.08 -4.77 -1.26 -4.72 116.67 103.07 1wgk s ASP 95 Ca 0.00 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.83 1wgk s ASP 95 Cb 0.00 0.37 0.00 0.00 -1.09 0.00 0.00 42.92 42.20 1wgk s ASP 95 CO 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 175.17 175.16 1wgk n GLN 96 N -0.63 -2.15 -3.65 2.11 1.13 -0.77 -4.85 117.38 108.57 1wgk n GLN 96 Ca -0.04 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.66 1wgk n GLN 96 Cb 0.60 -4.22 -0.07 0.00 0.11 0.00 0.00 30.24 26.66 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 -1.56 6.38 -0.26 1.08 1.01 -1.25 -4.93 116.67 117.14 1wgk s ASP 97 Ca 0.00 0.44 -0.10 0.00 0.71 0.00 0.00 52.55 53.60 1wgk s ASP 97 Cb 0.00 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.74 1wgk s ASP 97 CO 0.00 0.19 0.16 -0.44 0.21 0.00 0.00 175.17 175.29 1wgk s SER 98 N 0.09 5.93 -0.18 0.27 0.01 -1.26 -2.37 113.70 116.20 1wgk s SER 98 Ca 0.14 0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.37 1wgk s SER 98 Cb -0.12 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1wgk s SER 98 CO 0.03 0.01 -0.00 -0.63 0.41 0.00 0.00 173.24 173.06 1wgk s ILE 99 N 1.39 4.13 -0.07 1.44 -1.09 -0.40 -1.94 121.20 124.66 1wgk s ILE 99 Ca 0.07 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1wgk s ILE 99 Cb -0.15 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1wgk s ILE 99 CO 0.07 0.46 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.02 1wgk s LEU 100 N 0.57 3.53 -0.21 2.97 2.96 -0.23 -1.29 118.68 126.97 1wgk s LEU 100 Ca -0.01 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1wgk s LEU 100 Cb -0.14 -1.84 0.07 0.00 0.50 0.00 0.00 46.19 44.78 1wgk s LEU 100 CO 0.02 0.36 0.05 -0.36 -1.32 0.00 0.00 176.35 175.10 1wgk s PHE 101 N -0.91 0.98 0.07 5.38 0.40 -0.03 -0.93 117.98 122.93 1wgk s PHE 101 Ca 0.14 -0.91 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1wgk s PHE 101 Cb -0.11 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 1wgk s PHE 101 CO 0.04 -0.65 -0.02 -1.50 0.70 0.00 0.00 175.22 173.79 1wgk s ILE 102 N 1.87 3.90 -0.21 0.64 2.07 0.02 -2.58 121.20 126.91 1wgk s ILE 102 Ca 0.01 -0.94 -0.02 0.00 -1.41 0.00 0.00 60.65 58.30 1wgk s ILE 102 Cb -0.17 -2.81 0.01 0.00 0.13 0.00 0.00 42.46 39.62 1wgk s ILE 102 CO -0.12 0.20 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.45 1wgk s SER 103 N -2.06 3.86 -0.36 4.50 0.15 -1.26 -0.21 113.70 118.32 1wgk s SER 103 Ca 0.23 -0.57 0.10 0.00 0.70 0.00 0.00 55.95 56.41 1wgk s SER 103 Cb -0.11 -1.63 0.45 0.00 -1.71 0.00 0.00 66.02 63.01 1wgk s SER 103 CO 0.15 -0.03 1.09 1.07 1.20 0.00 0.00 173.24 176.72 1wgk n THR 104 N 4.71 2.00 0.05 6.45 5.66 -1.18 -4.79 114.28 127.18 1wgk n THR 104 Ca -0.19 -4.18 0.00 0.00 -3.05 0.00 0.00 64.05 56.63 1wgk n THR 104 Cb 0.50 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 1wgk n THR 104 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1wgk n LEU 105 N -0.45 0.13 -4.58 1.09 0.00 -1.26 -4.94 117.00 106.99 1wgk n LEU 105 Ca 0.30 0.15 -0.29 0.00 0.00 0.00 0.00 56.01 56.17 1wgk n LEU 105 Cb 0.77 0.05 -0.06 0.00 0.00 0.00 0.00 43.42 44.19 1wgk n LEU 105 CO 0.31 -0.50 1.54 -2.28 0.00 0.00 0.00 177.39 176.45 1wgk s HIS 106 N -2.00 2.01 -0.44 1.96 2.46 -1.26 -4.71 115.29 113.31 1wgk s HIS 106 Ca 0.00 0.31 0.07 0.00 0.47 0.00 0.00 55.06 55.91 1wgk s HIS 106 Cb 0.00 -4.06 0.41 0.00 -0.13 0.00 0.00 32.58 28.80 1wgk s HIS 106 CO 0.00 -1.26 1.04 0.41 -2.47 0.00 0.00 174.74 172.46 1wgk n GLY 107 N 5.81 5.21 3.48 1.59 0.00 -1.26 -5.05 105.19 114.97 1wgk n GLY 107 Ca 0.45 -2.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.35 -0.42 3.39 -0.02 0.00 -1.26 -4.83 105.19 101.69 1wgk n GLY 108 Ca 0.33 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.48 1wgk n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgk s SER 109 N 8.95 -1.15 0.00 1.61 0.01 -1.26 -5.11 113.70 116.75 1wgk s SER 109 Ca 1.33 1.20 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1wgk s SER 109 Cb -1.22 2.16 0.00 0.00 0.21 0.00 0.00 66.02 67.17 1wgk s SER 109 CO 0.49 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.51 1wgk n GLY 110 N 5.44 1.00 3.60 3.44 0.00 -1.26 -5.09 105.19 112.31 1wgk n GLY 110 Ca -0.07 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1wgk n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgk s PRO 111 N 1.20 3.35 0.37 1.61 0.04 -1.26 -4.99 135.00 135.32 1wgk s PRO 111 Ca 0.00 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.17 1wgk s PRO 111 Cb 0.00 -4.17 -0.08 0.00 0.04 0.00 0.00 34.50 30.29 1wgk s PRO 111 CO 0.00 -1.84 0.77 0.45 0.04 0.00 0.00 177.00 176.42 1wgk s SER 112 N 5.69 6.67 0.00 6.66 0.15 -1.26 -5.01 113.70 126.61 1wgk s SER 112 Ca 0.75 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1wgk s SER 112 Cb -0.20 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wgk s SER 112 CO 0.33 -0.30 0.00 -0.24 1.20 0.00 0.00 173.24 174.22 1wgk n SER 113 N -0.80 0.01 -0.43 5.45 2.88 -1.26 -5.32 113.62 114.15 1wgk n SER 113 Ca 0.03 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.63 1wgk n SER 113 Cb 0.54 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.04 1wgk n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42