#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 4.77 -0.07 1.61 1.04 -1.26 -5.11 113.70 114.68 1wgk s SER 2 Ca 0.00 0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wgk s SER 2 Cb 0.00 -1.29 0.02 0.00 0.10 0.00 0.00 66.02 64.85 1wgk s SER 2 CO 0.00 0.35 -0.04 -0.44 0.98 0.00 0.00 173.24 174.09 1wgk s SER 3 N -0.71 1.58 -0.45 7.02 0.01 -1.26 -5.11 113.70 114.78 1wgk s SER 3 Ca 0.11 -0.16 -0.25 0.00 1.31 0.00 0.00 55.95 56.95 1wgk s SER 3 Cb -0.11 -0.56 0.03 0.00 0.21 0.00 0.00 66.02 65.58 1wgk s SER 3 CO 0.02 -0.12 0.91 -0.83 0.41 0.00 0.00 173.24 173.62 1wgk s GLY 4 N 1.55 1.50 -0.13 3.44 0.00 -1.26 -5.00 107.32 107.42 1wgk s GLY 4 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 1wgk s GLY 4 CO -0.04 2.01 0.12 -0.56 0.00 0.00 0.00 173.10 174.63 1wgk s SER 5 N 2.21 1.64 -0.28 1.64 0.01 -1.26 -5.13 113.70 112.54 1wgk s SER 5 Ca 0.36 -0.23 -0.12 0.00 1.31 0.00 0.00 55.95 57.27 1wgk s SER 5 Cb -0.10 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1wgk s SER 5 CO 0.25 -0.31 0.26 -0.44 0.41 0.00 0.00 173.24 173.41 1wgk s SER 6 N 2.20 6.10 0.00 2.44 0.01 -1.26 -4.97 113.70 118.22 1wgk s SER 6 Ca 0.04 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1wgk s SER 6 Cb -0.14 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1wgk s SER 6 CO -0.08 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1wgk n GLY 7 N 4.92 4.86 2.96 3.44 0.00 -1.26 -5.13 105.19 114.98 1wgk n GLY 7 Ca -0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 4.05 0.11 0.07 1.61 1.00 -1.26 -4.70 119.30 120.18 1wgk s MET 8 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 55.69 55.88 1wgk s MET 8 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 34.83 34.83 1wgk s MET 8 CO 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 175.02 174.88 1wgk s ALA 9 N 0.15 0.98 0.31 3.03 0.00 -1.26 -4.96 121.76 120.00 1wgk s ALA 9 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 1wgk s ALA 9 Cb -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1wgk s ALA 9 CO -0.00 0.04 0.53 0.00 0.00 0.00 0.00 175.76 176.33 1wgk s ALA 10 N -1.70 3.70 0.14 0.00 0.00 -1.26 -3.92 121.76 118.71 1wgk s ALA 10 Ca -0.02 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 1wgk s ALA 10 Cb -0.08 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 1wgk s ALA 10 CO 0.01 0.11 1.34 -1.25 0.00 0.00 0.00 175.76 175.97 1wgk s PRO 11 N -3.99 4.35 0.08 0.00 0.04 -1.26 -4.34 135.00 129.88 1wgk s PRO 11 Ca 0.41 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.49 1wgk s PRO 11 Cb -0.10 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1wgk s PRO 11 CO 0.34 -0.36 0.21 -0.48 0.04 0.00 0.00 177.00 176.75 1wgk s LEU 12 N 0.69 4.30 -0.06 -3.56 0.05 -0.48 -4.90 118.68 114.72 1wgk s LEU 12 Ca 0.61 0.23 0.04 0.00 0.05 0.00 0.00 54.13 55.06 1wgk s LEU 12 Cb -0.36 -2.91 -0.02 0.00 -2.05 0.00 0.00 46.19 40.85 1wgk s LEU 12 CO 0.33 0.15 -0.16 0.00 -0.55 0.00 0.00 176.35 176.12 1wgk s VAL 14 N -0.54 -0.01 -0.30 0.00 -7.23 0.85 -1.87 120.40 111.31 1wgk s VAL 14 Ca 0.07 0.05 -0.21 0.00 -1.81 0.00 0.00 61.98 60.09 1wgk s VAL 14 Cb -0.11 -0.04 -0.01 0.00 0.56 0.00 0.00 36.38 36.78 1wgk s VAL 14 CO 0.01 0.03 0.66 -0.54 -0.31 0.00 0.00 175.10 174.95 1wgk s LYS 15 N 0.29 3.94 -0.12 4.82 1.02 -0.88 -0.88 119.74 127.93 1wgk s LYS 15 Ca -0.02 0.38 -0.04 0.00 0.02 0.00 0.00 55.97 56.30 1wgk s LYS 15 Cb -0.04 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1wgk s LYS 15 CO -0.01 -0.57 0.05 0.08 -0.92 0.00 0.00 175.35 173.98 1wgk s VAL 16 N 2.65 4.69 -0.06 3.17 1.01 -0.47 -0.69 120.40 130.70 1wgk s VAL 16 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1wgk s VAL 16 Cb -0.15 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1wgk s VAL 16 CO 0.11 0.57 -0.01 -0.70 0.00 0.00 0.00 175.10 175.07 1wgk s GLU 17 N -0.59 0.64 -0.15 2.72 2.12 -0.26 -0.21 118.70 122.97 1wgk s GLU 17 Ca 0.11 0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.41 1wgk s GLU 17 Cb -0.12 -0.86 -0.04 0.00 0.26 0.00 0.00 34.13 33.37 1wgk s GLU 17 CO 0.02 -0.21 0.04 -0.06 -0.54 0.00 0.00 175.26 174.51 1wgk s PHE 18 N 1.49 3.22 -0.30 5.30 0.40 -1.19 -1.04 117.98 125.87 1wgk s PHE 18 Ca -0.02 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1wgk s PHE 18 Cb -0.13 -1.99 0.09 0.00 0.51 0.00 0.00 43.02 41.50 1wgk s PHE 18 CO -0.03 0.23 0.05 0.20 0.70 0.00 0.00 175.22 176.37 1wgk s GLY 19 N 0.01 1.33 0.00 4.36 0.00 -0.52 -4.51 107.32 107.99 1wgk s GLY 19 Ca 0.05 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1wgk s GLY 19 CO 0.01 1.28 0.00 0.61 0.00 0.00 0.00 173.10 175.00 1wgk n GLY 20 N 4.66 0.00 3.13 0.20 0.00 -1.26 -3.45 105.19 108.46 1wgk n GLY 20 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wgk n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgk n GLY 21 N 0.00 2.08 0.30 -0.02 0.00 -1.26 -4.59 105.19 101.70 1wgk n GLY 21 Ca 0.00 -0.09 0.29 0.00 0.00 0.00 0.00 46.02 46.22 1wgk n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgk n ALA 22 N 0.00 0.92 -0.32 4.61 0.00 -1.26 0.26 120.51 124.72 1wgk n ALA 22 Ca 0.00 0.96 0.21 0.00 0.00 0.00 0.00 53.44 54.61 1wgk n ALA 22 Cb 0.00 -0.94 0.39 0.00 0.00 0.00 0.00 19.45 18.91 1wgk n ALA 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wgk n GLU 23 N -5.15 -0.07 -0.25 0.00 0.28 -1.26 0.15 120.64 114.34 1wgk n GLU 23 Ca 0.34 1.37 0.03 0.00 -0.16 0.00 0.00 57.16 58.74 1wgk n GLU 23 Cb 1.16 -2.29 0.16 0.00 1.43 0.00 0.00 31.44 31.90 1wgk n GLU 23 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1wgk h LEU 24 N 0.00 0.39 -0.69 -1.84 3.38 -0.51 0.46 115.31 116.50 1wgk h LEU 24 Ca 0.67 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.72 1wgk h LEU 24 Cb 1.57 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1wgk h LEU 24 CO -0.82 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.09 1wgk n LEU 25 N -4.92 0.30 -3.71 1.67 4.77 0.39 -2.89 117.00 112.61 1wgk n LEU 25 Ca 0.12 0.63 -0.28 0.00 -0.03 0.00 0.00 56.01 56.45 1wgk n LEU 25 Cb 0.33 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.65 1wgk n LEU 25 CO 0.22 -0.69 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.05 1wgk s PHE 26 N -3.27 2.40 -0.24 -1.77 0.40 0.14 -3.82 117.98 111.82 1wgk s PHE 26 Ca -0.00 -2.78 0.00 0.00 -0.60 0.00 0.00 56.93 53.55 1wgk s PHE 26 Cb 0.04 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.59 1wgk s PHE 26 CO 0.13 -0.70 0.00 -0.25 0.70 0.00 0.00 175.22 175.10 1wgk n ASP 27 N 2.74 -1.46 -3.76 1.36 9.92 -1.23 -2.15 116.55 121.96 1wgk n ASP 27 Ca 0.18 0.37 -0.27 0.00 -0.53 0.00 0.00 54.79 54.54 1wgk n ASP 27 Cb 0.38 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wgk n GLY 28 N -0.47 -1.12 3.00 0.44 0.00 -0.04 -4.95 105.19 102.05 1wgk n GLY 28 Ca -0.03 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.05 0.23 -0.02 1.61 1.01 -0.91 -4.84 120.40 114.42 1wgk s VAL 29 Ca 0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1wgk s VAL 29 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1wgk s VAL 29 CO 0.83 -0.42 0.34 0.11 0.00 0.00 0.00 175.10 175.96 1wgk h LYS 30 N 4.73 -0.16 -5.20 2.72 1.57 -1.90 -3.42 116.57 114.90 1wgk h LYS 30 Ca -0.32 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.85 1wgk h LYS 30 Cb 1.21 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.39 1wgk h LYS 30 CO 0.42 -0.10 -0.55 0.15 -0.57 0.00 0.00 179.45 178.79 1wgk s LYS 31 N -2.08 3.97 -0.16 3.15 1.02 -1.26 -3.17 119.74 121.22 1wgk s LYS 31 Ca -0.02 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1wgk s LYS 31 Cb 0.00 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1wgk s LYS 31 CO 0.07 0.18 -0.20 -1.01 -0.92 0.00 0.00 175.35 173.47 1wgk s HIS 32 N 0.65 2.73 -0.51 3.18 3.76 0.71 -4.97 115.29 120.83 1wgk s HIS 32 Ca 0.05 -1.40 -0.29 0.00 -0.15 0.00 0.00 55.06 53.27 1wgk s HIS 32 Cb -0.13 -1.87 0.03 0.00 1.11 0.00 0.00 32.58 31.72 1wgk s HIS 32 CO 0.01 -0.66 1.17 -0.65 -0.85 0.00 0.00 174.74 173.76 1wgk s GLN 33 N 0.99 3.64 -0.09 1.40 -0.21 -1.26 -1.37 119.66 122.77 1wgk s GLN 33 Ca -0.02 0.47 -0.07 0.00 0.02 0.00 0.00 55.36 55.76 1wgk s GLN 33 Cb -0.15 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.87 1wgk s GLN 33 CO -0.05 -1.50 0.17 0.08 -2.12 0.00 0.00 175.29 171.87 1wgk s VAL 34 N 4.69 5.45 -0.43 1.09 1.01 -0.06 -4.97 120.40 127.17 1wgk s VAL 34 Ca 0.47 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.69 1wgk s VAL 34 Cb -0.07 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 33.00 1wgk s VAL 34 CO 0.30 0.57 0.28 0.00 0.00 0.00 0.00 175.10 176.25 1wgk s ALA 35 N -1.08 1.76 0.55 5.51 0.00 -1.26 -0.10 121.76 127.13 1wgk s ALA 35 Ca 0.18 -2.46 -0.20 0.00 0.00 0.00 0.00 51.96 49.48 1wgk s ALA 35 Cb -0.13 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 1wgk s ALA 35 CO 0.07 -2.06 1.23 -0.51 0.00 0.00 0.00 175.76 174.49 1wgk s LEU 36 N 0.32 3.78 0.00 0.00 1.43 0.17 -4.84 118.68 119.54 1wgk s LEU 36 Ca 0.22 2.44 -0.13 0.00 -1.03 0.00 0.00 54.13 55.64 1wgk s LEU 36 Cb -0.15 -4.45 0.18 0.00 0.03 0.00 0.00 46.19 41.80 1wgk s LEU 36 CO -0.06 -1.43 0.66 -0.81 0.23 0.00 0.00 176.35 174.94 1wgk n PRO 37 N -1.22 -2.31 -5.16 1.29 -0.04 -1.26 -1.38 135.00 124.92 1wgk n PRO 37 Ca 0.11 -1.06 -0.32 0.00 -0.04 0.00 0.00 63.50 62.20 1wgk n PRO 37 Cb 0.48 -0.99 -0.16 0.00 -0.04 0.00 0.00 33.50 32.79 1wgk n PRO 37 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wgk s GLY 38 N -3.68 1.36 0.36 0.55 0.00 -1.26 -4.12 107.32 100.52 1wgk s GLY 38 Ca 0.43 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 44.09 1wgk s GLY 38 CO 0.33 -0.43 0.60 -0.86 0.00 0.00 0.00 173.10 172.74 1wgk s GLN 39 N 0.14 2.02 0.32 2.90 -2.07 -1.25 -4.69 119.66 117.03 1wgk s GLN 39 Ca -0.12 -1.62 0.03 0.00 -1.82 0.00 0.00 55.36 51.83 1wgk s GLN 39 Cb -0.16 0.51 0.55 0.00 -1.09 0.00 0.00 33.01 32.82 1wgk s GLN 39 CO 0.06 -0.88 1.86 0.93 -1.32 0.00 0.00 175.29 175.94 1wgk h GLU 40 N 2.07 0.62 -5.49 9.60 3.07 -1.93 -3.36 114.58 119.16 1wgk h GLU 40 Ca -0.29 -0.13 -0.61 0.00 -0.50 0.00 0.00 59.36 57.83 1wgk h GLU 40 Cb 1.24 -0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 28.96 1wgk h GLU 40 CO 0.39 0.61 -0.39 -1.21 -1.40 0.00 0.00 179.01 177.01 1wgk s GLU 41 N -5.06 4.09 0.45 2.33 0.41 -1.26 -4.93 118.70 114.73 1wgk s GLU 41 Ca -0.08 -0.01 -0.23 0.00 -0.41 0.00 0.00 54.97 54.24 1wgk s GLU 41 Cb 0.16 -3.37 -0.07 0.00 -1.78 0.00 0.00 34.13 29.06 1wgk s GLU 41 CO 0.77 0.37 1.17 -1.25 -0.49 0.00 0.00 175.26 175.83 1wgk s PRO 42 N 0.10 3.79 -0.06 0.39 0.04 -1.26 -4.97 135.00 133.03 1wgk s PRO 42 Ca 0.14 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1wgk s PRO 42 Cb -0.13 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1wgk s PRO 42 CO 0.03 -0.53 1.46 -1.58 0.04 0.00 0.00 177.00 176.42 1wgk s TRP 43 N -1.53 2.53 0.20 0.56 0.52 -1.26 -4.95 118.94 115.01 1wgk s TRP 43 Ca 0.63 0.63 0.10 0.00 0.02 0.00 0.00 56.10 57.47 1wgk s TRP 43 Cb -0.29 -3.72 -0.04 0.00 -1.15 0.00 0.00 33.47 28.27 1wgk s TRP 43 CO 0.35 -2.81 -0.11 -0.51 0.02 0.00 0.00 176.95 173.89 1wgk s ASP 44 N 2.44 4.12 0.06 2.95 1.01 -1.26 -1.27 116.67 124.70 1wgk s ASP 44 Ca 0.65 -0.67 -0.11 0.00 0.71 0.00 0.00 52.55 53.13 1wgk s ASP 44 Cb -0.30 -0.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.97 1wgk s ASP 44 CO 0.25 0.09 1.02 -0.38 0.21 0.00 0.00 175.17 176.36 1wgk n ILE 45 N -0.11 -0.24 -0.29 0.77 2.08 -1.07 0.13 119.36 120.63 1wgk n ILE 45 Ca -0.10 1.57 0.28 0.00 0.56 0.00 0.00 62.75 65.06 1wgk n ILE 45 Cb 0.56 -2.01 0.51 0.00 -0.75 0.00 0.00 39.64 37.95 1wgk n ILE 45 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1wgk n ARG 46 N -3.78 -0.05 -0.05 0.38 1.85 -1.26 -0.03 116.66 113.72 1wgk n ARG 46 Ca 0.01 1.16 -0.08 0.00 -1.00 0.00 0.00 57.85 57.93 1wgk n ARG 46 Cb 0.09 -2.10 -0.07 0.00 -1.05 0.00 0.00 32.46 29.33 1wgk n ARG 46 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1wgk h ASN 47 N 0.00 -0.02 -0.96 2.89 2.35 0.74 -3.34 115.58 117.24 1wgk h ASN 47 Ca 0.72 -0.54 0.28 0.00 -0.55 0.00 0.00 56.30 56.22 1wgk h ASN 47 Cb 1.96 0.01 -0.17 0.00 0.05 0.00 0.00 38.32 40.17 1wgk h ASN 47 CO -0.62 0.73 0.14 0.25 -1.65 0.00 0.00 177.43 176.27 1wgk h LEU 48 N -0.98 -0.27 -0.47 1.61 5.85 0.26 0.36 115.31 121.67 1wgk h LEU 48 Ca -0.00 0.26 0.09 0.00 0.84 0.00 0.00 57.88 59.07 1wgk h LEU 48 Cb 0.56 0.41 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 1wgk h LEU 48 CO 0.00 -0.32 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.55 1wgk h LEU 49 N 0.05 -0.58 0.27 2.25 -0.00 -1.25 0.29 115.31 116.33 1wgk h LEU 49 Ca 0.62 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.65 1wgk h LEU 49 Cb 1.32 0.35 -0.02 0.00 -0.00 0.00 0.00 40.66 42.31 1wgk h LEU 49 CO -0.84 -0.20 -0.25 0.58 -0.00 0.00 0.00 178.44 177.73 1wgk h VAL 50 N -0.06 0.48 -0.96 1.22 2.07 -0.41 0.66 116.25 119.24 1wgk h VAL 50 Ca 0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1wgk h VAL 50 Cb 0.40 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1wgk h VAL 50 CO -0.51 0.00 0.62 -0.25 0.02 0.00 0.00 177.57 177.44 1wgk h TRP 51 N -0.54 1.09 -0.01 1.57 7.01 -0.97 1.40 115.95 125.50 1wgk h TRP 51 Ca -0.01 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.85 1wgk h TRP 51 Cb 0.49 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1wgk h TRP 51 CO -0.16 0.51 -0.76 0.82 -2.79 0.00 0.00 178.44 176.06 1wgk h ILE 52 N 1.02 1.51 0.00 2.65 2.04 0.04 0.28 117.51 125.04 1wgk h ILE 52 Ca 0.44 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.80 1wgk h ILE 52 Cb 0.34 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1wgk h ILE 52 CO -0.20 0.72 -0.58 0.29 0.00 0.00 0.00 178.15 178.38 1wgk n LYS 53 N -3.68 0.16 -0.13 2.37 5.02 0.22 0.11 118.16 122.23 1wgk n LYS 53 Ca -0.02 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 1wgk n LYS 53 Cb 0.73 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 1wgk n LYS 53 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1wgk n LYS 54 N -1.82 0.62 0.00 1.97 2.85 0.47 -4.42 118.16 117.83 1wgk n LYS 54 Ca 0.04 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1wgk n LYS 54 Cb 0.39 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1wgk n LYS 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wgk n ASN 55 N -3.37 0.00 -0.33 -5.58 3.02 0.97 -4.62 115.26 105.35 1wgk n ASN 55 Ca -0.46 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.32 1wgk n ASN 55 Cb 0.96 -0.24 0.46 0.00 -0.61 0.00 0.00 39.78 40.35 1wgk n ASN 55 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wgk h LEU 56 N 0.00 0.48 -9.39 3.41 5.85 -1.49 -3.37 115.31 110.80 1wgk h LEU 56 Ca 0.00 0.19 -0.57 0.00 0.84 0.00 0.00 57.88 58.34 1wgk h LEU 56 Cb 0.00 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1wgk h LEU 56 CO 0.00 -0.14 -0.08 -0.22 -0.34 0.00 0.00 178.44 177.66 1wgk s LEU 57 N -10.44 4.32 -0.00 2.25 2.96 0.30 -4.53 118.68 113.53 1wgk s LEU 57 Ca -0.10 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1wgk s LEU 57 Cb 0.30 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1wgk s LEU 57 CO 0.79 0.02 0.09 0.29 -1.32 0.00 0.00 176.35 176.22 1wgk n LYS 58 N 3.39 3.59 -2.21 1.98 4.76 -1.25 -4.34 118.16 124.08 1wgk n LYS 58 Ca -0.07 -0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.22 1wgk n LYS 58 Cb 0.51 -0.81 0.06 0.00 -1.84 0.00 0.00 35.03 32.96 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 -1.28 0.47 -1.69 1.97 -0.58 -1.26 -5.01 120.64 113.25 1wgk n GLU 59 Ca 0.00 -2.06 -0.42 0.00 -0.42 0.00 0.00 57.16 54.26 1wgk n GLU 59 Cb 0.05 -0.29 -0.03 0.00 -0.57 0.00 0.00 31.44 30.60 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wgk s ARG 60 N -4.01 3.99 0.01 3.49 1.81 -1.26 -4.89 118.95 118.08 1wgk s ARG 60 Ca 0.44 2.48 -0.23 0.00 -1.72 0.00 0.00 55.73 56.70 1wgk s ARG 60 Cb -0.03 -4.18 -0.18 0.00 -0.45 0.00 0.00 34.95 30.11 1wgk s ARG 60 CO 0.28 -1.12 1.31 -1.00 -0.68 0.00 0.00 175.30 174.09 1wgk h PRO 61 N 11.18 0.16 -1.55 3.54 0.13 -1.89 -3.14 132.00 140.43 1wgk h PRO 61 Ca -0.47 -0.08 0.45 0.00 -0.87 0.00 0.00 66.00 65.02 1wgk h PRO 61 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1wgk h PRO 61 CO 0.95 0.60 1.24 0.39 -0.23 0.00 0.00 178.00 180.95 1wgk n GLU 62 N -4.72 0.00 0.06 0.86 1.02 -1.18 0.72 120.64 117.40 1wgk n GLU 62 Ca -0.07 0.97 -0.09 0.00 -0.02 0.00 0.00 57.16 57.94 1wgk n GLU 62 Cb 0.30 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.37 1wgk n GLU 62 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wgk h LEU 63 N 0.00 -0.21 0.25 -4.62 4.07 -1.95 -3.40 115.31 109.45 1wgk h LEU 63 Ca 0.74 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 58.41 1wgk h LEU 63 Cb 3.22 0.06 0.00 0.00 1.08 0.00 0.00 40.66 45.02 1wgk h LEU 63 CO -0.01 0.33 -0.12 0.15 -1.08 0.00 0.00 178.44 177.72 1wgk h PHE 64 N -0.94 -0.31 -3.72 1.13 3.57 0.18 -3.47 116.94 113.38 1wgk h PHE 64 Ca -0.03 -0.01 -0.49 0.00 3.53 0.00 0.00 57.97 60.98 1wgk h PHE 64 Cb 0.48 0.10 -0.20 0.00 2.79 0.00 0.00 35.95 39.12 1wgk h PHE 64 CO 0.07 -0.19 -0.79 0.42 -2.23 0.00 0.00 178.31 175.59 1wgk s ILE 65 N -2.92 1.52 -0.41 1.41 1.01 0.09 -4.46 121.20 117.43 1wgk s ILE 65 Ca -0.05 -1.61 0.02 0.00 0.00 0.00 0.00 60.65 59.01 1wgk s ILE 65 Cb 0.00 -1.51 0.11 0.00 0.01 0.00 0.00 42.46 41.08 1wgk s ILE 65 CO 0.15 -0.23 0.15 -1.58 0.00 0.00 0.00 174.94 173.42 1wgk s GLN 66 N -2.24 1.77 0.13 2.79 2.00 -1.25 -3.12 119.66 119.73 1wgk s GLN 66 Ca 0.07 -2.05 0.00 0.00 -2.00 0.00 0.00 55.36 51.39 1wgk s GLN 66 Cb -0.08 -3.35 0.00 0.00 0.80 0.00 0.00 33.01 30.38 1wgk s GLN 66 CO 0.04 -1.02 0.00 0.41 -0.50 0.00 0.00 175.29 174.22 1wgk n GLY 67 N 4.07 -1.73 0.21 2.59 0.00 -1.26 -4.45 105.19 104.61 1wgk n GLY 67 Ca 0.03 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.11 1wgk n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wgk h ASP 68 N 0.00 0.00 -3.09 1.61 3.32 -1.96 -3.43 116.42 112.86 1wgk h ASP 68 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1wgk h ASP 68 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1wgk h ASP 68 CO 0.00 0.27 -0.22 -0.55 -1.72 0.00 0.00 179.24 177.02 1wgk s SER 69 N -6.96 6.44 0.40 6.45 0.15 -1.26 -4.57 113.70 114.35 1wgk s SER 69 Ca -0.03 0.61 -0.24 0.00 0.70 0.00 0.00 55.95 56.98 1wgk s SER 69 Cb 0.15 -2.10 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 1wgk s SER 69 CO 0.71 -0.11 1.11 0.68 1.20 0.00 0.00 173.24 176.82 1wgk s VAL 70 N -1.95 3.44 0.99 4.45 -7.23 -1.26 -3.97 120.40 114.86 1wgk s VAL 70 Ca 0.42 1.14 -0.14 0.00 -1.81 0.00 0.00 61.98 61.59 1wgk s VAL 70 Cb -0.11 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.26 1wgk s VAL 70 CO 0.29 0.04 0.21 0.54 -0.31 0.00 0.00 175.10 175.87 1wgk n ARG 71 N -0.05 -0.54 0.00 4.82 1.74 -1.26 -4.80 116.66 116.57 1wgk n ARG 71 Ca 0.05 -0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1wgk n ARG 71 Cb 0.48 -1.75 0.37 0.00 -1.02 0.00 0.00 32.46 30.54 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 -1.41 0.48 -0.01 5.56 -0.04 -1.26 -2.60 135.00 135.72 1wgk n PRO 72 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1wgk n PRO 72 Cb 0.56 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.03 -0.21 3.59 0.55 0.00 -1.26 -4.96 105.19 102.88 1wgk n GLY 73 Ca 0.09 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.17 3.89 -0.36 -0.61 -1.09 -1.07 -4.04 121.20 115.74 1wgk s ILE 74 Ca -0.02 0.87 -0.22 0.00 -2.23 0.00 0.00 60.65 59.06 1wgk s ILE 74 Cb 0.02 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1wgk s ILE 74 CO 0.18 -0.88 0.69 -0.76 -1.23 0.00 0.00 174.94 172.94 1wgk s LEU 75 N 5.56 4.21 0.15 2.97 1.43 0.10 -4.70 118.68 128.40 1wgk s LEU 75 Ca 0.58 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1wgk s LEU 75 Cb -0.12 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1wgk s LEU 75 CO 0.31 -0.65 0.29 0.68 0.23 0.00 0.00 176.35 177.21 1wgk s VAL 76 N 2.87 5.31 -0.09 -1.59 -7.23 -1.26 0.05 120.40 118.46 1wgk s VAL 76 Ca 0.27 -0.59 -0.04 0.00 -1.81 0.00 0.00 61.98 59.81 1wgk s VAL 76 Cb -0.14 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.12 1wgk s VAL 76 CO 0.16 -0.07 0.18 -0.76 -0.31 0.00 0.00 175.10 174.30 1wgk s LEU 77 N -3.15 -0.08 -0.30 1.32 1.43 0.36 -3.72 118.68 114.53 1wgk s LEU 77 Ca 0.35 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 1wgk s LEU 77 Cb -0.11 0.38 -0.04 0.00 0.03 0.00 0.00 46.19 46.45 1wgk s LEU 77 CO 0.28 -0.24 0.21 -0.63 0.23 0.00 0.00 176.35 176.20 1wgk s ILE 78 N 2.25 5.30 -1.54 -0.59 1.01 -0.82 -0.71 121.20 126.10 1wgk s ILE 78 Ca 0.02 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 1wgk s ILE 78 Cb -0.12 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.86 1wgk s ILE 78 CO -0.06 0.17 0.92 0.59 0.00 0.00 0.00 174.94 176.56 1wgk n ASN 79 N 5.08 -4.64 -2.75 3.58 4.13 -0.56 -1.14 115.26 118.97 1wgk n ASN 79 Ca -0.13 -0.76 -0.16 0.00 1.68 0.00 0.00 54.58 55.21 1wgk n ASN 79 Cb 0.51 -3.72 0.06 0.00 -1.54 0.00 0.00 39.78 35.10 1wgk n ASN 79 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1wgk n ASP 80 N -2.76 -4.09 -3.37 6.41 9.92 -1.26 -5.02 116.55 116.38 1wgk n ASP 80 Ca 0.04 -0.41 -0.04 0.00 -0.53 0.00 0.00 54.79 53.85 1wgk n ASP 80 Cb 0.52 -3.80 -0.05 0.00 -0.64 0.00 0.00 41.12 37.15 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgk s ALA 81 N -3.24 -1.60 -0.04 2.24 0.00 -0.29 -5.12 121.76 113.71 1wgk s ALA 81 Ca 0.28 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 1wgk s ALA 81 Cb -0.12 -1.79 -0.15 0.00 0.00 0.00 0.00 23.12 21.06 1wgk s ALA 81 CO 0.53 -1.16 0.84 -0.25 0.00 0.00 0.00 175.76 175.72 1wgk n ASP 82 N 5.40 0.10 0.02 0.00 8.00 -1.26 -1.95 116.55 126.86 1wgk n ASP 82 Ca -0.05 0.87 0.05 0.00 0.71 0.00 0.00 54.79 56.37 1wgk n ASP 82 Cb 0.50 -0.68 0.23 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.33 0.11 -0.06 1.24 4.27 -1.24 -2.31 117.44 120.78 1wgk n TRP 83 Ca 0.16 0.05 -0.15 0.00 -3.89 0.00 0.00 57.50 53.67 1wgk n TRP 83 Cb 0.05 -0.58 -0.06 0.00 -1.36 0.00 0.00 31.31 29.35 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 0.64 0.00 -2.67 5.08 -1.89 0.56 114.58 116.31 1wgk h GLU 84 Ca 0.00 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1wgk h GLU 84 Cb 0.15 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1wgk h GLU 84 CO 0.00 1.04 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.57 1wgk h LEU 85 N 0.33 0.00 0.00 1.33 -0.00 -1.80 -3.36 115.31 111.81 1wgk h LEU 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1wgk h LEU 85 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1wgk h LEU 85 CO 0.09 0.41 -0.25 -0.07 -0.00 0.00 0.00 178.44 178.62 1wgk h LEU 86 N 0.00 0.00 0.00 1.67 3.38 -1.53 -3.50 115.31 115.34 1wgk h LEU 86 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wgk h LEU 86 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1wgk h LEU 86 CO 0.05 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1wgk n GLY 87 N 1.69 -1.32 0.27 0.83 0.00 0.17 -4.66 105.19 102.17 1wgk n GLY 87 Ca -0.04 0.89 -0.07 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.28 0.00 1.61 1.02 0.28 -1.59 120.64 121.68 1wgk n GLU 88 Ca 0.00 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 1wgk n GLU 88 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 -4.69 0.00 0.18 -4.62 4.77 -1.26 -4.53 117.00 106.85 1wgk n LEU 89 Ca 0.01 -0.33 0.07 0.00 -0.03 0.00 0.00 56.01 55.74 1wgk n LEU 89 Cb 0.17 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1wgk n LEU 89 CO -0.10 0.00 0.64 -0.78 -1.33 0.00 0.00 177.39 175.81 1wgk h ASP 90 N 0.00 0.00 -3.92 -1.43 1.82 -1.91 -3.39 116.42 107.59 1wgk h ASP 90 Ca 0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 1wgk h ASP 90 Cb 0.00 0.00 0.08 0.00 0.68 0.00 0.00 39.33 40.09 1wgk h ASP 90 CO 0.00 0.28 0.64 -0.47 -1.61 0.00 0.00 179.24 178.08 1wgk s TYR 91 N -3.12 2.89 -0.29 0.28 6.14 -0.62 -4.96 117.35 117.66 1wgk s TYR 91 Ca 0.05 1.39 0.02 0.00 0.64 0.00 0.00 57.07 59.17 1wgk s TYR 91 Cb 0.07 -3.71 0.08 0.00 0.42 0.00 0.00 41.96 38.82 1wgk s TYR 91 CO 0.70 -2.08 0.00 -0.65 0.64 0.00 0.00 175.55 174.17 1wgk s GLN 92 N -2.04 1.53 0.30 4.97 -0.21 -1.26 -2.59 119.66 120.35 1wgk s GLN 92 Ca 0.53 -1.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 1wgk s GLN 92 Cb -0.40 -2.79 -0.12 0.00 1.00 0.00 0.00 33.01 30.70 1wgk s GLN 92 CO 0.52 -0.79 1.44 1.28 -2.12 0.00 0.00 175.29 175.62 1wgk n LEU 93 N 4.49 3.78 0.00 2.90 4.77 -0.40 -4.94 117.00 127.60 1wgk n LEU 93 Ca -0.04 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1wgk n LEU 93 Cb 0.43 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 1wgk n LEU 93 CO 0.19 -0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.02 1wgk n GLN 94 N 1.48 0.00 -3.80 3.23 1.13 -1.26 -4.34 117.38 113.82 1wgk n GLN 94 Ca 0.08 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.12 1wgk n GLN 94 Cb 0.35 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 30.25 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 -3.89 -0.06 -0.13 1.08 -4.77 -1.26 -4.76 116.67 102.88 1wgk s ASP 95 Ca 0.00 -0.42 -0.02 0.00 -3.30 0.00 0.00 52.55 48.81 1wgk s ASP 95 Cb 0.00 0.38 0.02 0.00 -1.09 0.00 0.00 42.92 42.22 1wgk s ASP 95 CO 0.00 -0.73 0.04 0.00 0.70 0.00 0.00 175.17 175.18 1wgk n GLN 96 N -0.61 -2.43 -3.74 2.11 1.13 -0.78 -4.84 117.38 108.22 1wgk n GLN 96 Ca -0.04 0.01 -0.36 0.00 -1.94 0.00 0.00 57.00 54.66 1wgk n GLN 96 Cb 0.60 -3.57 -0.07 0.00 0.11 0.00 0.00 30.24 27.31 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 -1.68 6.36 -0.24 1.08 1.01 -1.25 -4.92 116.67 117.02 1wgk s ASP 97 Ca 0.06 0.43 -0.09 0.00 0.71 0.00 0.00 52.55 53.65 1wgk s ASP 97 Cb -0.03 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 1wgk s ASP 97 CO 0.07 0.27 0.13 -0.55 0.21 0.00 0.00 175.17 175.30 1wgk s SER 98 N -0.30 5.77 -0.19 0.27 0.15 -1.26 -2.08 113.70 116.07 1wgk s SER 98 Ca 0.13 -0.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.74 1wgk s SER 98 Cb -0.12 -2.04 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 1wgk s SER 98 CO 0.02 0.03 -0.04 -0.63 1.20 0.00 0.00 173.24 173.82 1wgk s ILE 99 N 1.28 3.61 -0.08 6.45 -1.09 0.13 -1.50 121.20 130.00 1wgk s ILE 99 Ca 0.06 -0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1wgk s ILE 99 Cb -0.14 -2.61 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1wgk s ILE 99 CO 0.06 0.45 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.98 1wgk s LEU 100 N 1.02 3.49 -0.15 2.97 2.96 0.11 -1.10 118.68 127.99 1wgk s LEU 100 Ca 0.01 0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1wgk s LEU 100 Cb -0.15 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1wgk s LEU 100 CO 0.01 0.37 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.97 1wgk s PHE 101 N -0.83 1.72 -0.18 5.38 0.40 -0.20 -0.49 117.98 123.79 1wgk s PHE 101 Ca 0.13 -1.02 -0.05 0.00 -0.60 0.00 0.00 56.93 55.39 1wgk s PHE 101 Cb -0.11 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1wgk s PHE 101 CO 0.02 -0.60 -0.01 0.42 0.70 0.00 0.00 175.22 175.76 1wgk s ILE 102 N 1.63 4.05 -0.21 0.64 1.01 0.11 -1.44 121.20 126.98 1wgk s ILE 102 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1wgk s ILE 102 Cb -0.14 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 1wgk s ILE 102 CO -0.08 0.46 -0.04 -0.55 0.00 0.00 0.00 174.94 174.73 1wgk s SER 103 N 0.59 4.33 -0.27 3.58 0.15 -1.22 0.02 113.70 120.88 1wgk s SER 103 Ca -0.01 -0.37 0.18 0.00 0.70 0.00 0.00 55.95 56.45 1wgk s SER 103 Cb -0.14 -1.74 0.49 0.00 -1.71 0.00 0.00 66.02 62.92 1wgk s SER 103 CO 0.02 0.00 1.13 1.07 1.20 0.00 0.00 173.24 176.67 1wgk n THR 104 N 4.66 1.69 -3.83 6.45 5.66 -1.26 -4.65 114.28 123.00 1wgk n THR 104 Ca -0.18 -3.37 -0.35 0.00 -3.05 0.00 0.00 64.05 57.10 1wgk n THR 104 Cb 0.51 0.47 -0.12 0.00 -1.55 0.00 0.00 70.33 69.64 1wgk n THR 104 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wgk s LEU 105 N -3.73 5.10 -0.00 1.09 1.43 -1.26 -4.92 118.68 116.39 1wgk s LEU 105 Ca 0.35 -2.21 0.06 0.00 -1.03 0.00 0.00 54.13 51.30 1wgk s LEU 105 Cb 0.35 -1.78 -0.24 0.00 0.03 0.00 0.00 46.19 44.55 1wgk s LEU 105 CO -0.01 -0.47 0.81 1.12 0.23 0.00 0.00 176.35 178.03 1wgk h HIS 106 N 7.76 0.16 0.00 0.29 2.07 -2.02 -3.48 115.15 119.93 1wgk h HIS 106 Ca -0.09 -0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.31 1wgk h HIS 106 Cb 1.02 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.00 1wgk h HIS 106 CO 0.55 1.17 0.00 0.41 -3.07 0.00 0.00 177.93 176.99 1wgk n GLY 107 N 1.58 1.38 0.00 6.13 0.00 -1.26 -4.48 105.19 108.55 1wgk n GLY 107 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.08 4.00 -0.02 0.00 -1.26 -5.13 105.19 102.87 1wgk n GLY 108 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 4.80 0.00 1.61 0.01 -1.26 -5.10 113.70 113.76 1wgk s SER 109 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1wgk s SER 109 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1wgk s SER 109 CO 0.00 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 172.73 1wgk n GLY 110 N -2.52 4.66 3.60 3.44 0.00 -1.26 -5.14 105.19 107.96 1wgk n GLY 110 Ca 0.14 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.46 -1.20 0.03 1.61 0.04 -1.26 -5.08 135.00 124.69 1wgk s PRO 111 Ca 0.00 -0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.05 1wgk s PRO 111 Cb 0.00 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 1wgk s PRO 111 CO 0.00 -3.70 -0.21 0.45 0.04 0.00 0.00 177.00 173.58 1wgk s SER 112 N -3.89 2.49 0.37 6.66 0.15 -1.26 -5.15 113.70 113.07 1wgk s SER 112 Ca 0.71 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.90 1wgk s SER 112 Cb -0.10 -0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 63.94 1wgk s SER 112 CO 0.56 0.18 0.05 -0.94 1.20 0.00 0.00 173.24 174.29 1wgk s SER 113 N -1.07 2.94 0.00 5.45 1.04 -1.26 -5.38 113.70 115.42 1wgk s SER 113 Ca 0.08 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1wgk s SER 113 Cb -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1wgk s SER 113 CO 0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.22