#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 -2.18 -3.92 1.61 7.64 -1.26 -5.02 113.62 110.49 1wgk n SER 2 Ca 0.00 0.46 -0.10 0.00 1.01 0.00 0.00 58.87 60.24 1wgk n SER 2 Cb 0.00 -1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 61.96 1wgk n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgk s SER 3 N -1.59 0.14 -0.28 6.43 0.15 -1.26 -5.14 113.70 112.17 1wgk s SER 3 Ca 0.59 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.83 1wgk s SER 3 Cb -0.29 0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.30 1wgk s SER 3 CO 0.65 -0.45 -0.06 -0.83 1.20 0.00 0.00 173.24 173.75 1wgk s GLY 4 N -1.84 1.67 -0.60 9.45 0.00 -1.26 -5.05 107.32 109.69 1wgk s GLY 4 Ca -0.09 -1.90 0.02 0.00 0.00 0.00 0.00 44.72 42.76 1wgk s GLY 4 CO -0.02 0.74 0.37 -1.35 0.00 0.00 0.00 173.10 172.83 1wgk s SER 5 N 1.10 4.70 -0.15 1.64 1.04 -1.26 -5.01 113.70 115.76 1wgk s SER 5 Ca -0.04 -3.18 -0.04 0.00 0.48 0.00 0.00 55.95 53.17 1wgk s SER 5 Cb -0.20 -1.70 0.06 0.00 0.10 0.00 0.00 66.02 64.28 1wgk s SER 5 CO -0.06 -0.23 0.13 -0.44 0.98 0.00 0.00 173.24 173.62 1wgk s SER 6 N -0.30 1.68 -1.16 7.02 0.01 -1.26 -4.93 113.70 114.76 1wgk s SER 6 Ca 0.19 -0.26 -0.34 0.00 1.31 0.00 0.00 55.95 56.85 1wgk s SER 6 Cb -0.20 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.09 1wgk s SER 6 CO -0.04 -0.31 0.65 0.61 0.41 0.00 0.00 173.24 174.55 1wgk n GLY 7 N 5.30 -0.80 3.76 3.44 0.00 -1.26 -4.90 105.19 110.73 1wgk n GLY 7 Ca -0.06 0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 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 -7.36 4.23 1.06 1.61 1.00 -1.26 -4.96 119.30 113.62 1wgk s MET 8 Ca 0.47 0.45 -0.17 0.00 0.00 0.00 0.00 55.69 56.43 1wgk s MET 8 Cb -0.26 -3.37 0.07 0.00 0.00 0.00 0.00 34.83 31.27 1wgk s MET 8 CO 0.93 0.33 0.04 0.00 0.00 0.00 0.00 175.02 176.33 1wgk n ALA 9 N 3.07 -3.79 -2.75 3.03 0.00 -1.25 -4.90 120.51 113.92 1wgk n ALA 9 Ca -0.09 -1.07 -0.25 0.00 0.00 0.00 0.00 53.44 52.03 1wgk n ALA 9 Cb 0.52 -1.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.27 3.42 0.09 0.00 0.00 -1.26 -4.06 121.76 117.68 1wgk s ALA 10 Ca 0.55 -1.38 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 1wgk s ALA 10 Cb -0.14 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 21.74 1wgk s ALA 10 CO 0.67 0.39 1.38 -1.25 0.00 0.00 0.00 175.76 176.95 1wgk s PRO 11 N -3.37 4.32 0.09 0.00 0.04 -1.26 -4.39 135.00 130.44 1wgk s PRO 11 Ca 0.31 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 1wgk s PRO 11 Cb -0.09 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1wgk s PRO 11 CO 0.22 -0.45 0.27 -0.48 0.04 0.00 0.00 177.00 176.60 1wgk s LEU 12 N 1.36 4.32 -0.07 -3.56 0.05 -0.73 -4.88 118.68 115.17 1wgk s LEU 12 Ca 0.64 0.38 0.04 0.00 0.05 0.00 0.00 54.13 55.24 1wgk s LEU 12 Cb -0.35 -3.09 -0.02 0.00 -2.05 0.00 0.00 46.19 40.69 1wgk s LEU 12 CO 0.30 0.12 -0.20 0.00 -0.55 0.00 0.00 176.35 176.02 1wgk s VAL 14 N -0.21 0.71 -0.36 0.00 -7.23 0.04 -1.11 120.40 112.24 1wgk s VAL 14 Ca -0.01 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 1wgk s VAL 14 Cb -0.13 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.86 1wgk s VAL 14 CO 0.03 -0.46 0.21 -0.54 -0.31 0.00 0.00 175.10 174.03 1wgk s LYS 15 N -2.14 3.05 0.01 4.82 1.02 -0.85 -1.22 119.74 124.43 1wgk s LYS 15 Ca -0.03 -0.93 -0.06 0.00 0.02 0.00 0.00 55.97 54.97 1wgk s LYS 15 Cb -0.07 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 1wgk s LYS 15 CO -0.00 -0.61 0.26 0.08 -0.92 0.00 0.00 175.35 174.16 1wgk s VAL 16 N 1.60 5.31 -0.10 3.17 1.01 -0.37 -0.46 120.40 130.56 1wgk s VAL 16 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1wgk s VAL 16 Cb -0.18 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wgk s VAL 16 CO 0.07 0.35 0.22 -0.70 0.00 0.00 0.00 175.10 175.04 1wgk s GLU 17 N -1.81 0.16 0.02 2.72 2.12 -0.84 -0.24 118.70 120.82 1wgk s GLU 17 Ca 0.28 0.54 0.03 0.00 0.36 0.00 0.00 54.97 56.18 1wgk s GLU 17 Cb -0.13 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.09 1wgk s GLU 17 CO 0.17 -0.20 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.58 1wgk s PHE 18 N 1.56 2.94 -0.17 5.30 0.08 -1.18 -1.41 117.98 125.10 1wgk s PHE 18 Ca -0.06 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.94 1wgk s PHE 18 Cb -0.11 -1.61 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 1wgk s PHE 18 CO -0.08 0.41 0.21 0.20 -0.10 0.00 0.00 175.22 175.86 1wgk s GLY 19 N -1.61 0.01 0.00 4.36 0.00 -1.00 -4.53 107.32 104.55 1wgk s GLY 19 Ca 0.19 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1wgk s GLY 19 CO 0.10 2.01 0.00 0.61 0.00 0.00 0.00 173.10 175.82 1wgk n GLY 20 N 5.32 0.67 2.44 0.20 0.00 -1.26 -3.48 105.19 109.08 1wgk n GLY 20 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.76 0.33 -0.02 0.00 -1.26 -4.66 105.19 102.35 1wgk n GLY 21 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.39 -1.50 4.61 0.00 -1.91 -0.34 119.26 121.50 1wgk h ALA 22 Ca 0.00 0.05 0.44 0.00 0.00 0.00 0.00 54.91 55.40 1wgk h ALA 22 Cb 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1wgk h ALA 22 CO 0.00 0.08 1.08 1.05 0.00 0.00 0.00 179.25 181.45 1wgk h GLU 23 N 0.82 0.01 -0.72 0.00 9.09 -1.83 0.81 114.58 122.76 1wgk h GLU 23 Ca 0.47 -0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.83 1wgk h GLU 23 Cb 0.55 -0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 1wgk h GLU 23 CO -0.30 0.01 0.25 -0.07 0.05 0.00 0.00 179.01 178.95 1wgk h LEU 24 N 0.02 1.03 0.00 3.06 3.38 -1.36 -1.34 115.31 120.10 1wgk h LEU 24 Ca 0.73 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1wgk h LEU 24 Cb 2.86 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 43.34 1wgk h LEU 24 CO -0.04 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.62 1wgk n LEU 25 N -4.31 0.00 -3.74 1.67 4.77 0.28 -2.89 117.00 112.78 1wgk n LEU 25 Ca 0.06 0.49 -0.28 0.00 -0.03 0.00 0.00 56.01 56.25 1wgk n LEU 25 Cb 0.21 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 1wgk n LEU 25 CO 0.41 -0.44 -0.17 -0.36 -1.33 0.00 0.00 177.39 175.50 1wgk s PHE 26 N -2.99 2.52 -0.54 -1.77 0.40 -0.60 -3.93 117.98 111.07 1wgk s PHE 26 Ca 0.02 -2.83 -0.07 0.00 -0.60 0.00 0.00 56.93 53.45 1wgk s PHE 26 Cb 0.02 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.54 1wgk s PHE 26 CO 0.06 -0.70 0.17 -0.25 0.70 0.00 0.00 175.22 175.21 1wgk n ASP 27 N 2.75 -1.20 -3.37 1.36 8.00 -1.24 -2.16 116.55 120.69 1wgk n ASP 27 Ca 0.17 -0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 1wgk n ASP 27 Cb 0.37 -1.14 0.01 0.00 -0.02 0.00 0.00 41.12 40.35 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 -0.65 -0.60 3.03 0.44 0.00 -0.65 -4.97 105.19 101.79 1wgk n GLY 28 Ca 0.03 0.67 -0.10 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.18 0.08 -0.09 1.61 1.01 -0.92 -4.91 120.40 115.01 1wgk s VAL 29 Ca 0.12 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1wgk s VAL 29 Cb -0.01 -0.30 -0.28 0.00 0.00 0.00 0.00 36.38 35.78 1wgk s VAL 29 CO 0.73 -0.37 0.85 0.11 0.00 0.00 0.00 175.10 176.41 1wgk h LYS 30 N 4.72 0.14 -5.30 2.72 1.57 -1.90 -3.42 116.57 115.11 1wgk h LYS 30 Ca -0.30 -0.22 -0.66 0.00 -1.87 0.00 0.00 60.65 57.60 1wgk h LYS 30 Cb 1.20 0.08 -0.28 0.00 0.08 0.00 0.00 32.23 33.32 1wgk h LYS 30 CO 0.42 1.09 -0.78 0.15 -0.57 0.00 0.00 179.45 179.76 1wgk s LYS 31 N -2.41 3.35 -0.15 3.15 1.02 -1.26 -3.10 119.74 120.34 1wgk s LYS 31 Ca -0.16 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1wgk s LYS 31 Cb -0.01 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1wgk s LYS 31 CO 0.75 0.18 -0.14 -1.01 -0.92 0.00 0.00 175.35 174.21 1wgk s HIS 32 N 0.43 2.12 -0.17 3.18 3.76 0.66 -4.99 115.29 120.29 1wgk s HIS 32 Ca -0.10 -1.19 -0.28 0.00 -0.15 0.00 0.00 55.06 53.34 1wgk s HIS 32 Cb -0.16 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1wgk s HIS 32 CO 0.05 -0.66 0.95 -1.14 -0.85 0.00 0.00 174.74 173.09 1wgk s GLN 33 N 1.50 4.32 -0.05 1.40 0.74 -1.26 -1.24 119.66 125.07 1wgk s GLN 33 Ca 0.05 1.24 0.04 0.00 0.05 0.00 0.00 55.36 56.74 1wgk s GLN 33 Cb -0.13 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 1wgk s GLN 33 CO -0.11 -0.42 -0.17 0.08 -0.55 0.00 0.00 175.29 174.12 1wgk s VAL 34 N 2.45 2.84 -0.44 1.34 1.01 -0.36 -5.00 120.40 122.25 1wgk s VAL 34 Ca 0.43 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1wgk s VAL 34 Cb -0.17 -2.10 0.14 0.00 0.00 0.00 0.00 36.38 34.25 1wgk s VAL 34 CO 0.12 0.58 0.25 0.00 0.00 0.00 0.00 175.10 176.05 1wgk s ALA 35 N -0.61 2.04 0.50 5.51 0.00 -1.26 -0.78 121.76 127.17 1wgk s ALA 35 Ca 0.09 -2.56 -0.22 0.00 0.00 0.00 0.00 51.96 49.27 1wgk s ALA 35 Cb -0.11 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 1wgk s ALA 35 CO 0.01 -2.07 1.23 -0.51 0.00 0.00 0.00 175.76 174.42 1wgk s LEU 36 N 0.35 3.91 1.25 0.00 1.43 0.91 -4.86 118.68 121.67 1wgk s LEU 36 Ca 0.19 2.46 -0.21 0.00 -1.03 0.00 0.00 54.13 55.54 1wgk s LEU 36 Cb -0.22 -4.30 0.31 0.00 0.03 0.00 0.00 46.19 42.01 1wgk s LEU 36 CO -0.01 -1.21 1.11 -2.16 0.23 0.00 0.00 176.35 174.31 1wgk s PRO 37 N -2.86 -1.63 -0.13 1.29 0.04 -1.26 -1.78 135.00 128.67 1wgk s PRO 37 Ca 0.68 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 1wgk s PRO 37 Cb -0.32 -1.56 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1wgk s PRO 37 CO 0.38 -3.95 -0.08 0.20 0.04 0.00 0.00 177.00 173.59 1wgk s GLY 38 N -4.01 1.64 0.29 0.56 0.00 -1.26 -4.16 107.32 100.39 1wgk s GLY 38 Ca 0.72 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 44.47 1wgk s GLY 38 CO 0.56 -0.21 0.54 -0.86 0.00 0.00 0.00 173.10 173.12 1wgk s GLN 39 N 0.17 1.75 0.35 2.90 -2.07 -1.26 -4.73 119.66 116.77 1wgk s GLN 39 Ca -0.04 -1.38 0.04 0.00 -1.82 0.00 0.00 55.36 52.15 1wgk s GLN 39 Cb -0.14 0.50 0.64 0.00 -1.09 0.00 0.00 33.01 32.92 1wgk s GLN 39 CO 0.04 -0.75 1.95 0.93 -1.32 0.00 0.00 175.29 176.14 1wgk h GLU 40 N 2.17 0.66 -5.58 9.60 4.39 -1.93 -3.31 114.58 120.57 1wgk h GLU 40 Ca -0.27 -0.08 -0.59 0.00 0.34 0.00 0.00 59.36 58.75 1wgk h GLU 40 Cb 1.25 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.68 1wgk h GLU 40 CO 0.36 0.53 -0.30 -2.00 -1.16 0.00 0.00 179.01 176.44 1wgk s GLU 41 N -5.34 4.18 0.40 2.33 2.12 -1.26 -4.95 118.70 116.19 1wgk s GLU 41 Ca -0.09 0.16 -0.25 0.00 0.36 0.00 0.00 54.97 55.15 1wgk s GLU 41 Cb 0.17 -3.39 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 1wgk s GLU 41 CO 0.76 0.31 1.19 -1.25 -0.54 0.00 0.00 175.26 175.73 1wgk s PRO 42 N 0.23 4.02 -0.08 4.30 0.04 -1.26 -4.96 135.00 137.29 1wgk s PRO 42 Ca 0.18 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1wgk s PRO 42 Cb -0.14 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 1wgk s PRO 42 CO 0.06 -0.36 1.57 -1.58 0.04 0.00 0.00 177.00 176.73 1wgk s TRP 43 N -1.40 2.16 0.17 0.56 0.52 -1.26 -4.92 118.94 114.77 1wgk s TRP 43 Ca 0.57 0.37 0.08 0.00 0.02 0.00 0.00 56.10 57.15 1wgk s TRP 43 Cb -0.32 -3.83 -0.04 0.00 -1.15 0.00 0.00 33.47 28.13 1wgk s TRP 43 CO 0.40 -3.38 -0.07 -0.51 0.02 0.00 0.00 176.95 173.41 1wgk s ASP 44 N 3.09 4.39 0.05 2.95 1.01 -1.26 -1.14 116.67 125.76 1wgk s ASP 44 Ca 0.69 -0.52 -0.11 0.00 0.71 0.00 0.00 52.55 53.33 1wgk s ASP 44 Cb -0.31 -0.80 -0.02 0.00 1.01 0.00 0.00 42.92 42.80 1wgk s ASP 44 CO 0.26 0.11 1.05 -0.38 0.21 0.00 0.00 175.17 176.42 1wgk n ILE 45 N 0.05 -0.23 -0.23 0.77 2.08 -1.04 0.97 119.36 121.72 1wgk n ILE 45 Ca -0.11 1.61 0.23 0.00 0.56 0.00 0.00 62.75 65.04 1wgk n ILE 45 Cb 0.55 -2.06 0.42 0.00 -0.75 0.00 0.00 39.64 37.80 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 -3.75 -0.04 0.03 0.38 1.85 -1.26 0.16 116.66 114.04 1wgk n ARG 46 Ca 0.01 0.99 -0.21 0.00 -1.00 0.00 0.00 57.85 57.63 1wgk n ARG 46 Cb 0.09 -1.78 -0.14 0.00 -1.05 0.00 0.00 32.46 29.58 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 0.44 -0.55 2.89 2.35 0.31 -3.31 115.58 117.72 1wgk h ASN 47 Ca 0.61 -0.90 0.16 0.00 -0.55 0.00 0.00 56.30 55.62 1wgk h ASN 47 Cb 1.62 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.82 1wgk h ASN 47 CO -0.55 1.52 0.61 0.25 -1.65 0.00 0.00 177.43 177.61 1wgk h LEU 48 N -0.31 0.00 -0.09 1.61 5.85 0.52 0.14 115.31 123.03 1wgk h LEU 48 Ca -0.23 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 1wgk h LEU 48 Cb 1.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1wgk h LEU 48 CO 0.11 0.00 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.85 1wgk h LEU 49 N 0.00 0.41 -0.24 2.25 -0.00 -1.24 -2.32 115.31 114.17 1wgk h LEU 49 Ca 0.26 -0.62 0.05 0.00 -0.00 0.00 0.00 57.88 57.57 1wgk h LEU 49 Cb 1.48 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.97 1wgk h LEU 49 CO -0.00 0.96 -0.07 0.58 -0.00 0.00 0.00 178.44 179.90 1wgk h VAL 50 N -0.11 0.73 0.89 1.22 2.07 -0.84 0.42 116.25 120.63 1wgk h VAL 50 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1wgk h VAL 50 Cb 0.92 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1wgk h VAL 50 CO 0.06 0.00 -0.43 -0.25 0.02 0.00 0.00 177.57 176.97 1wgk h TRP 51 N -0.02 -1.11 -0.26 1.57 7.01 -1.58 0.21 115.95 121.77 1wgk h TRP 51 Ca 0.12 -0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.17 1wgk h TRP 51 Cb 0.20 0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 1wgk h TRP 51 CO -0.26 -0.69 0.28 0.82 -2.79 0.00 0.00 178.44 175.80 1wgk h ILE 52 N -1.30 0.46 0.00 2.65 2.04 -1.30 0.60 117.51 120.65 1wgk h ILE 52 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1wgk h ILE 52 Cb 0.92 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1wgk h ILE 52 CO 0.20 0.00 -0.63 0.29 0.00 0.00 0.00 178.15 178.01 1wgk n LYS 53 N -3.80 0.22 -0.04 2.37 5.02 0.15 -0.04 118.16 122.04 1wgk n LYS 53 Ca 0.04 0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.34 1wgk n LYS 53 Cb 0.42 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1wgk n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wgk n LYS 54 N -1.95 0.24 0.00 1.97 4.76 0.16 -4.39 118.16 118.95 1wgk n LYS 54 Ca 0.04 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wgk n LYS 54 Cb 0.41 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1wgk n LYS 54 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wgk n ASN 55 N -3.44 0.00 -0.31 4.39 3.02 0.15 -4.05 115.26 115.02 1wgk n ASN 55 Ca -0.06 0.40 0.17 0.00 -0.03 0.00 0.00 54.58 55.06 1wgk n ASN 55 Cb 0.24 -0.27 0.36 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.13 -9.39 3.41 5.85 -1.64 -3.37 115.31 110.30 1wgk h LEU 56 Ca 0.00 0.21 -0.59 0.00 0.84 0.00 0.00 57.88 58.33 1wgk h LEU 56 Cb 0.00 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 1wgk h LEU 56 CO 0.00 -0.18 -0.26 -0.22 -0.34 0.00 0.00 178.44 177.43 1wgk s LEU 57 N -10.61 4.30 -0.01 2.25 2.96 0.94 -4.54 118.68 113.97 1wgk s LEU 57 Ca -0.11 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1wgk s LEU 57 Cb 0.28 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1wgk s LEU 57 CO 0.78 0.13 0.06 2.29 -1.32 0.00 0.00 176.35 178.29 1wgk n LYS 58 N 3.22 0.56 -1.23 1.98 -0.00 -1.25 -4.07 118.16 117.36 1wgk n LYS 58 Ca -0.11 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 58.04 1wgk n LYS 58 Cb 0.52 -1.08 0.09 0.00 -0.00 0.00 0.00 35.03 34.56 1wgk n LYS 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wgk n GLU 59 N -1.68 -0.29 -1.70 -1.58 -0.58 -1.26 -4.94 120.64 108.61 1wgk n GLU 59 Ca -0.01 -1.19 -0.54 0.00 -0.42 0.00 0.00 57.16 55.00 1wgk n GLU 59 Cb 0.15 -0.55 -0.06 0.00 -0.57 0.00 0.00 31.44 30.41 1wgk n GLU 59 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wgk n ARG 60 N -2.23 1.50 0.02 3.49 5.12 -1.26 -4.88 116.66 118.41 1wgk n ARG 60 Ca 0.08 0.55 -0.13 0.00 -1.93 0.00 0.00 57.85 56.43 1wgk n ARG 60 Cb 0.30 -2.28 -0.09 0.00 -1.16 0.00 0.00 32.46 29.22 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 7.68 -0.07 -0.02 5.56 0.13 -1.87 -3.05 132.00 140.36 1wgk h PRO 61 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wgk h PRO 61 Cb 1.30 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wgk h PRO 61 CO 0.95 0.39 0.16 1.05 -0.23 0.00 0.00 178.00 180.31 1wgk h GLU 62 N -0.57 0.00 0.55 0.86 9.09 -1.87 -0.19 114.58 122.46 1wgk h GLU 62 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1wgk h GLU 62 Cb 0.49 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.60 1wgk h GLU 62 CO 0.01 0.00 -0.27 1.25 0.05 0.00 0.00 179.01 180.06 1wgk h LEU 63 N 0.00 -0.63 0.16 3.06 5.85 -1.91 -3.37 115.31 118.47 1wgk h LEU 63 Ca 0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1wgk h LEU 63 Cb 0.33 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1wgk h LEU 63 CO -0.00 -0.25 -0.08 0.15 -0.34 0.00 0.00 178.44 177.92 1wgk h PHE 64 N -1.08 -0.20 -3.97 1.25 3.57 -1.49 -3.47 116.94 111.55 1wgk h PHE 64 Ca -0.08 -0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.04 1wgk h PHE 64 Cb 0.63 0.07 -0.22 0.00 2.79 0.00 0.00 35.95 39.21 1wgk h PHE 64 CO 0.01 0.18 -0.77 0.42 -2.23 0.00 0.00 178.31 175.92 1wgk s ILE 65 N -3.01 0.93 -0.31 1.41 1.01 -0.13 -4.36 121.20 116.74 1wgk s ILE 65 Ca -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.39 1wgk s ILE 65 Cb 0.00 -0.90 0.05 0.00 0.01 0.00 0.00 42.46 41.62 1wgk s ILE 65 CO 0.39 -0.20 0.03 -1.58 0.00 0.00 0.00 174.94 173.57 1wgk s GLN 66 N -1.48 2.47 1.63 2.79 0.74 -1.23 -2.94 119.66 121.62 1wgk s GLN 66 Ca -0.03 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.12 1wgk s GLN 66 Cb -0.09 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1wgk s GLN 66 CO 0.01 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.53 1wgk n GLY 67 N 4.66 -1.56 0.26 2.59 0.00 -1.26 -3.88 105.19 105.99 1wgk n GLY 67 Ca -0.13 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.07 1.61 3.04 -1.96 -3.43 116.42 112.60 1wgk h ASP 68 Ca 0.00 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.19 1wgk h ASP 68 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1wgk h ASP 68 CO 0.00 0.14 -0.27 -0.94 -2.04 0.00 0.00 179.24 176.13 1wgk s SER 69 N -6.12 6.61 0.25 4.15 1.04 -1.25 -4.48 113.70 113.91 1wgk s SER 69 Ca -0.02 0.74 -0.30 0.00 0.48 0.00 0.00 55.95 56.86 1wgk s SER 69 Cb 0.12 -2.16 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 1wgk s SER 69 CO 0.59 0.18 1.14 0.68 0.98 0.00 0.00 173.24 176.81 1wgk s VAL 70 N -1.39 3.48 1.00 5.02 -7.23 -1.26 -3.57 120.40 116.45 1wgk s VAL 70 Ca 0.32 1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 61.71 1wgk s VAL 70 Cb -0.14 -3.90 -0.15 0.00 0.56 0.00 0.00 36.38 32.76 1wgk s VAL 70 CO 0.18 0.30 -0.88 0.54 -0.31 0.00 0.00 175.10 174.93 1wgk n ARG 71 N 1.56 -0.02 0.00 4.82 1.74 -1.26 -4.73 116.66 118.76 1wgk n ARG 71 Ca 0.01 -0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1wgk n ARG 71 Cb 0.45 -1.04 0.32 0.00 -1.02 0.00 0.00 32.46 31.16 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 2.31 0.49 -0.03 5.56 -0.04 -1.26 -2.97 135.00 139.05 1wgk n PRO 72 Ca -0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1wgk n PRO 72 Cb 0.59 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.11 3.69 0.55 0.00 -1.26 -5.00 105.19 103.03 1wgk n GLY 73 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.13 2.65 -0.38 -0.61 -1.09 -1.16 -4.03 121.20 114.45 1wgk s ILE 74 Ca -0.08 0.13 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 1wgk s ILE 74 Cb 0.02 -3.08 0.06 0.00 -1.58 0.00 0.00 42.46 37.88 1wgk s ILE 74 CO 0.16 -0.00 0.18 -0.76 -1.23 0.00 0.00 174.94 173.29 1wgk s LEU 75 N 2.80 4.75 0.51 2.97 1.43 0.11 -4.76 118.68 126.49 1wgk s LEU 75 Ca 0.80 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1wgk s LEU 75 Cb -0.45 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1wgk s LEU 75 CO 0.36 -0.43 0.76 0.68 0.23 0.00 0.00 176.35 177.95 1wgk s VAL 76 N 1.40 3.87 -0.22 -1.59 -7.23 -1.26 -0.51 120.40 114.85 1wgk s VAL 76 Ca 0.01 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.81 1wgk s VAL 76 Cb -0.21 -3.47 0.10 0.00 0.56 0.00 0.00 36.38 33.36 1wgk s VAL 76 CO 0.02 -0.39 0.48 -0.76 -0.31 0.00 0.00 175.10 174.14 1wgk s LEU 77 N -4.73 -0.72 -0.30 1.32 1.43 0.11 -4.15 118.68 111.65 1wgk s LEU 77 Ca 0.51 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 54.56 1wgk s LEU 77 Cb -0.10 1.62 -0.02 0.00 0.03 0.00 0.00 46.19 47.72 1wgk s LEU 77 CO 0.41 -0.23 0.54 -0.63 0.23 0.00 0.00 176.35 176.67 1wgk s ILE 78 N 2.51 5.03 -1.56 -0.59 1.01 -0.41 -0.52 121.20 126.66 1wgk s ILE 78 Ca -0.04 0.72 -0.06 0.00 0.00 0.00 0.00 60.65 61.27 1wgk s ILE 78 Cb -0.11 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1wgk s ILE 78 CO -0.15 -0.05 0.35 0.59 0.00 0.00 0.00 174.94 175.69 1wgk n ASN 79 N 5.67 -0.51 -3.18 3.58 3.02 0.89 -0.26 115.26 124.47 1wgk n ASN 79 Ca -0.04 -1.13 -0.17 0.00 -0.03 0.00 0.00 54.58 53.21 1wgk n ASN 79 Cb 0.49 -2.34 0.08 0.00 -0.61 0.00 0.00 39.78 37.40 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 -2.84 -3.47 -3.55 6.41 8.00 -1.26 -5.01 116.55 114.82 1wgk n ASP 80 Ca -0.21 -0.52 -0.05 0.00 0.71 0.00 0.00 54.79 54.72 1wgk n ASP 80 Cb 0.63 -4.55 -0.07 0.00 -0.02 0.00 0.00 41.12 37.11 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 -3.30 -1.47 -0.06 2.24 0.00 0.64 -5.12 121.76 114.68 1wgk s ALA 81 Ca 0.19 1.63 -0.35 0.00 0.00 0.00 0.00 51.96 53.43 1wgk s ALA 81 Cb -0.09 -1.58 -0.17 0.00 0.00 0.00 0.00 23.12 21.28 1wgk s ALA 81 CO 0.64 -0.95 0.99 -0.25 0.00 0.00 0.00 175.76 176.19 1wgk n ASP 82 N 5.40 0.14 0.20 0.00 9.92 -1.26 -1.29 116.55 129.67 1wgk n ASP 82 Ca -0.08 1.00 0.08 0.00 -0.53 0.00 0.00 54.79 55.26 1wgk n ASP 82 Cb 0.50 -0.79 0.36 0.00 -0.64 0.00 0.00 41.12 40.55 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1wgk h TRP 83 N 2.84 0.00 0.00 1.24 5.08 -1.92 -2.91 115.95 120.28 1wgk h TRP 83 Ca -0.43 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.47 1wgk h TRP 83 Cb 1.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 1wgk h TRP 83 CO 0.50 0.30 -0.32 1.05 -1.28 0.00 0.00 178.44 178.69 1wgk h GLU 84 N 0.00 0.00 -0.08 0.12 4.11 -1.89 0.20 114.58 117.05 1wgk h GLU 84 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1wgk h GLU 84 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1wgk h GLU 84 CO 0.04 0.32 -0.68 -0.07 0.07 0.00 0.00 179.01 178.69 1wgk h LEU 85 N 0.00 0.39 0.00 3.06 4.07 -1.87 -3.39 115.31 117.57 1wgk h LEU 85 Ca -0.00 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1wgk h LEU 85 Cb 0.80 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1wgk h LEU 85 CO 0.04 0.95 -0.22 0.18 -1.08 0.00 0.00 178.44 178.32 1wgk n LEU 86 N -3.84 0.55 -2.78 1.67 4.77 -1.11 -5.03 117.00 111.23 1wgk n LEU 86 Ca -0.03 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1wgk n LEU 86 Cb 0.67 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1wgk n LEU 86 CO 0.46 -0.47 0.46 -0.83 -1.33 0.00 0.00 177.39 175.68 1wgk s GLY 87 N -3.26 -1.54 0.15 -0.72 0.00 0.56 -4.78 107.32 97.73 1wgk s GLY 87 Ca -0.06 1.24 -0.15 0.00 0.00 0.00 0.00 44.72 45.74 1wgk s GLY 87 CO 0.09 4.29 1.12 1.18 0.00 0.00 0.00 173.10 179.78 1wgk n GLU 88 N 3.71 -0.21 -0.00 2.90 1.02 -0.35 -0.82 120.64 126.89 1wgk n GLU 88 Ca 0.06 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.31 1wgk n GLU 88 Cb 0.63 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 -5.02 0.00 0.25 -4.62 4.77 -1.26 -4.50 117.00 106.62 1wgk n LEU 89 Ca 0.06 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1wgk n LEU 89 Cb 0.26 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.98 1wgk n LEU 89 CO -0.10 0.00 0.96 -0.78 -1.33 0.00 0.00 177.39 176.14 1wgk h ASP 90 N 0.00 0.00 -3.35 -1.43 3.58 -1.90 -3.38 116.42 109.94 1wgk h ASP 90 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.92 1wgk h ASP 90 Cb 0.27 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.34 1wgk h ASP 90 CO 0.00 0.00 0.59 -0.47 -2.88 0.00 0.00 179.24 176.48 1wgk s TYR 91 N -3.59 3.38 -0.32 0.28 6.14 -0.00 -4.94 117.35 118.31 1wgk s TYR 91 Ca 0.02 1.31 -0.01 0.00 0.64 0.00 0.00 57.07 59.04 1wgk s TYR 91 Cb 0.09 -3.48 0.07 0.00 0.42 0.00 0.00 41.96 39.05 1wgk s TYR 91 CO 0.53 -1.46 0.02 -0.65 0.64 0.00 0.00 175.55 174.63 1wgk s GLN 92 N 0.22 2.24 0.42 4.97 -0.21 -1.26 -2.51 119.66 123.54 1wgk s GLN 92 Ca 0.56 -1.42 -0.26 0.00 0.02 0.00 0.00 55.36 54.26 1wgk s GLN 92 Cb -0.33 -3.21 -0.10 0.00 1.00 0.00 0.00 33.01 30.38 1wgk s GLN 92 CO 0.34 -0.72 1.28 1.28 -2.12 0.00 0.00 175.29 175.36 1wgk n LEU 93 N 4.55 4.03 0.00 2.90 4.77 -0.29 -4.94 117.00 128.02 1wgk n LEU 93 Ca -0.10 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1wgk n LEU 93 Cb 0.43 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1wgk n LEU 93 CO 0.26 -0.62 0.00 0.00 -1.33 0.00 0.00 177.39 175.70 1wgk n GLN 94 N 0.07 0.00 -3.63 3.23 3.00 -1.26 -4.32 117.38 114.48 1wgk n GLN 94 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.06 1wgk n GLN 94 Cb 0.39 -0.44 -0.01 0.00 0.00 0.00 0.00 30.24 30.19 1wgk n GLN 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1wgk s ASP 95 N -3.63 -0.07 -0.71 1.08 2.15 -1.26 -4.76 116.67 109.46 1wgk s ASP 95 Ca 0.00 -0.15 -0.09 0.00 0.43 0.00 0.00 52.55 52.74 1wgk s ASP 95 Cb 0.00 0.19 0.09 0.00 -0.30 0.00 0.00 42.92 42.90 1wgk s ASP 95 CO 0.00 -0.35 0.23 0.00 -0.17 0.00 0.00 175.17 174.87 1wgk n GLN 96 N -0.47 -1.98 -3.82 4.34 1.13 -0.27 -4.86 117.38 111.45 1wgk n GLN 96 Ca -0.08 0.05 -0.37 0.00 -1.94 0.00 0.00 57.00 54.66 1wgk n GLN 96 Cb 0.62 -4.22 -0.06 0.00 0.11 0.00 0.00 30.24 26.69 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 -2.34 6.41 -0.25 1.08 1.01 -1.22 -4.94 116.67 116.42 1wgk s ASP 97 Ca 0.32 0.49 -0.10 0.00 0.71 0.00 0.00 52.55 53.96 1wgk s ASP 97 Cb -0.18 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 1wgk s ASP 97 CO 0.39 0.37 0.16 -0.44 0.21 0.00 0.00 175.17 175.86 1wgk s SER 98 N -0.83 5.99 -0.02 0.27 0.01 -1.26 -2.00 113.70 115.85 1wgk s SER 98 Ca 0.15 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.46 1wgk s SER 98 Cb -0.12 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1wgk s SER 98 CO 0.04 0.02 -0.02 -0.63 0.41 0.00 0.00 173.24 173.06 1wgk s ILE 99 N 1.35 4.02 0.08 1.44 -1.09 0.39 -0.08 121.20 127.32 1wgk s ILE 99 Ca 0.07 -0.58 0.08 0.00 -2.23 0.00 0.00 60.65 57.99 1wgk s ILE 99 Cb -0.15 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1wgk s ILE 99 CO 0.07 0.43 -0.21 -0.22 -1.23 0.00 0.00 174.94 173.78 1wgk s LEU 100 N -1.36 2.25 -0.05 2.97 2.96 0.32 -1.98 118.68 123.79 1wgk s LEU 100 Ca 0.17 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1wgk s LEU 100 Cb -0.11 -0.93 0.04 0.00 0.50 0.00 0.00 46.19 45.68 1wgk s LEU 100 CO 0.08 0.10 0.09 -0.36 -1.32 0.00 0.00 176.35 174.94 1wgk s PHE 101 N -1.03 -0.04 0.05 5.38 0.40 -0.50 -0.71 117.98 121.53 1wgk s PHE 101 Ca 0.07 0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.83 1wgk s PHE 101 Cb -0.10 -0.30 -0.03 0.00 0.51 0.00 0.00 43.02 43.11 1wgk s PHE 101 CO 0.03 -0.18 -0.23 0.42 0.70 0.00 0.00 175.22 175.97 1wgk s ILE 102 N 1.74 2.43 -0.36 0.64 1.01 0.34 -2.39 121.20 124.61 1wgk s ILE 102 Ca -0.02 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.34 1wgk s ILE 102 Cb -0.12 -1.99 0.10 0.00 0.01 0.00 0.00 42.46 40.46 1wgk s ILE 102 CO -0.04 0.34 0.08 -0.55 0.00 0.00 0.00 174.94 174.77 1wgk s SER 103 N -1.37 4.85 -0.53 3.58 0.15 -1.23 0.10 113.70 119.25 1wgk s SER 103 Ca 0.13 -2.15 0.07 0.00 0.70 0.00 0.00 55.95 54.69 1wgk s SER 103 Cb -0.10 -1.67 0.35 0.00 -1.71 0.00 0.00 66.02 62.89 1wgk s SER 103 CO 0.04 -0.41 0.91 1.07 1.20 0.00 0.00 173.24 176.05 1wgk n THR 104 N 4.29 2.37 -3.89 6.45 5.66 -1.26 -4.78 114.28 123.12 1wgk n THR 104 Ca 0.03 -5.33 -0.09 0.00 -3.05 0.00 0.00 64.05 55.60 1wgk n THR 104 Cb 0.42 -1.14 -0.05 0.00 -1.55 0.00 0.00 70.33 68.01 1wgk n THR 104 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1wgk s LEU 105 N -3.26 0.33 0.00 1.09 -0.00 -1.26 -4.94 118.68 110.64 1wgk s LEU 105 Ca 0.47 -0.73 0.00 0.00 -0.00 0.00 0.00 54.13 53.87 1wgk s LEU 105 Cb 0.30 1.84 0.00 0.00 -0.00 0.00 0.00 46.19 48.33 1wgk s LEU 105 CO -0.13 -1.07 0.00 1.57 -0.00 0.00 0.00 176.35 176.73 1wgk n HIS 106 N -0.33 0.00 0.00 3.48 -0.00 -1.26 -5.09 115.22 112.01 1wgk n HIS 106 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1wgk n HIS 106 Cb 0.62 0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.60 1wgk n HIS 106 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wgk n GLY 107 N 2.33 0.12 3.00 1.57 0.00 -1.26 -5.05 105.19 105.91 1wgk n GLY 107 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 3.84 3.21 -0.02 0.00 -1.26 -4.87 105.19 106.09 1wgk n GLY 108 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1wgk n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgk s SER 109 N 3.52 6.05 -0.07 1.61 0.15 -1.26 -5.05 113.70 118.65 1wgk s SER 109 Ca 0.49 -2.84 -0.36 0.00 0.70 0.00 0.00 55.95 53.94 1wgk s SER 109 Cb 0.11 -2.04 -0.14 0.00 -1.71 0.00 0.00 66.02 62.24 1wgk s SER 109 CO -0.04 -0.45 1.68 0.61 1.20 0.00 0.00 173.24 176.24 1wgk n GLY 110 N 3.64 1.02 0.03 9.45 0.00 -1.26 -4.83 105.19 113.24 1wgk n GLY 110 Ca 0.12 0.81 0.08 0.00 0.00 0.00 0.00 46.02 47.03 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 4.85 0.05 -3.79 1.61 -0.04 -1.26 -4.64 135.00 131.77 1wgk n PRO 111 Ca 0.22 0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.84 1wgk n PRO 111 Cb 0.22 -1.59 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 1wgk n PRO 111 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgk s SER 112 N -3.30 0.03 0.45 3.54 1.04 -1.26 -5.14 113.70 109.06 1wgk s SER 112 Ca 0.06 0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.31 1wgk s SER 112 Cb 0.09 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 66.11 1wgk s SER 112 CO 0.29 -0.10 1.28 -0.24 0.98 0.00 0.00 173.24 175.46 1wgk n SER 113 N 3.88 2.57 0.00 7.02 2.88 -1.26 -5.21 113.62 123.50 1wgk n SER 113 Ca -0.23 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1wgk n SER 113 Cb 0.53 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1wgk n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42