#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 0.68 -4.55 1.61 2.88 -1.26 -4.93 113.62 108.05 1wgk n SER 2 Ca 0.00 0.11 -0.41 0.00 -1.33 0.00 0.00 58.87 57.24 1wgk n SER 2 Cb 0.00 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.16 1wgk n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgk s SER 3 N -5.78 6.13 0.00 -3.46 0.01 -1.26 -4.71 113.70 104.63 1wgk s SER 3 Ca -0.11 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1wgk s SER 3 Cb 0.04 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wgk s SER 3 CO 0.14 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.57 1wgk n GLY 4 N 5.37 -1.89 3.38 3.44 0.00 -1.26 -5.16 105.19 109.05 1wgk n GLY 4 Ca 0.05 0.86 -0.32 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 3.73 0.25 1.61 0.01 -1.26 -5.12 113.70 112.92 1wgk s SER 5 Ca 0.00 -0.34 -0.04 0.00 1.31 0.00 0.00 55.95 56.88 1wgk s SER 5 Cb 0.00 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 1wgk s SER 5 CO 0.00 0.25 0.32 -0.44 0.41 0.00 0.00 173.24 173.78 1wgk s SER 6 N -0.18 0.35 0.00 2.44 0.01 -1.26 -5.02 113.70 110.04 1wgk s SER 6 Ca -0.01 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1wgk s SER 6 Cb -0.13 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1wgk s SER 6 CO 0.03 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1wgk n GLY 7 N -0.39 0.37 3.30 3.44 0.00 -1.26 -5.01 105.19 105.63 1wgk n GLY 7 Ca 0.01 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.83 3.67 0.08 1.61 1.00 -1.26 -4.58 119.30 116.99 1wgk s MET 8 Ca 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 55.69 52.94 1wgk s MET 8 Cb 0.00 -4.38 -0.05 0.00 0.00 0.00 0.00 34.83 30.40 1wgk s MET 8 CO 0.00 -1.27 0.29 0.00 0.00 0.00 0.00 175.02 174.04 1wgk s ALA 9 N -0.33 3.89 0.16 3.03 0.00 -1.26 -5.00 121.76 122.25 1wgk s ALA 9 Ca 0.22 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1wgk s ALA 9 Cb -0.11 -1.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 1wgk s ALA 9 CO -0.08 0.73 0.65 0.00 0.00 0.00 0.00 175.76 177.06 1wgk s ALA 10 N -1.52 3.50 0.21 0.00 0.00 -1.26 -4.16 121.76 118.52 1wgk s ALA 10 Ca 0.36 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1wgk s ALA 10 Cb -0.13 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 1wgk s ALA 10 CO 0.24 0.37 1.30 -1.25 0.00 0.00 0.00 175.76 176.42 1wgk s PRO 11 N -1.65 4.40 -0.06 0.00 0.04 -1.26 -4.51 135.00 131.95 1wgk s PRO 11 Ca 0.37 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 1wgk s PRO 11 Cb -0.18 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1wgk s PRO 11 CO 0.21 -0.23 0.06 -0.48 0.04 0.00 0.00 177.00 176.60 1wgk s LEU 12 N -0.23 3.87 0.02 -3.56 0.05 -0.48 -4.89 118.68 113.46 1wgk s LEU 12 Ca 0.56 0.21 0.07 0.00 0.05 0.00 0.00 54.13 55.01 1wgk s LEU 12 Cb -0.36 -2.06 -0.03 0.00 -2.05 0.00 0.00 46.19 41.69 1wgk s LEU 12 CO 0.39 0.34 -0.18 0.00 -0.55 0.00 0.00 176.35 176.35 1wgk s VAL 14 N -0.87 0.09 -0.39 0.00 -7.23 0.76 -2.07 120.40 110.70 1wgk s VAL 14 Ca 0.14 -0.77 -0.19 0.00 -1.81 0.00 0.00 61.98 59.35 1wgk s VAL 14 Cb -0.10 -0.37 0.01 0.00 0.56 0.00 0.00 36.38 36.48 1wgk s VAL 14 CO 0.04 -0.42 0.54 -0.54 -0.31 0.00 0.00 175.10 174.41 1wgk s LYS 15 N -1.41 3.44 -0.17 4.82 1.02 -0.76 -1.01 119.74 125.67 1wgk s LYS 15 Ca -0.15 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.44 1wgk s LYS 15 Cb -0.08 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 1wgk s LYS 15 CO 0.01 -0.78 0.11 0.08 -0.92 0.00 0.00 175.35 173.84 1wgk s VAL 16 N 2.48 5.22 -0.04 3.17 1.01 -0.36 -1.74 120.40 130.14 1wgk s VAL 16 Ca 0.19 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1wgk s VAL 16 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1wgk s VAL 16 CO 0.15 0.50 -0.11 -0.70 0.00 0.00 0.00 175.10 174.94 1wgk s GLU 17 N -0.04 1.29 -0.05 2.72 2.12 -0.60 0.14 118.70 124.27 1wgk s GLU 17 Ca 0.09 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1wgk s GLU 17 Cb -0.12 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 33.10 1wgk s GLU 17 CO 0.00 0.10 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.63 1wgk s PHE 18 N 0.34 2.74 0.02 5.30 0.40 -1.08 -0.16 117.98 125.54 1wgk s PHE 18 Ca -0.07 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1wgk s PHE 18 Cb -0.11 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1wgk s PHE 18 CO 0.02 0.20 -0.11 0.20 0.70 0.00 0.00 175.22 176.22 1wgk s GLY 19 N -0.71 0.63 0.00 4.36 0.00 -0.50 -4.56 107.32 106.54 1wgk s GLY 19 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1wgk s GLY 19 CO 0.01 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.09 1wgk n GLY 20 N 2.20 1.87 3.42 0.20 0.00 -1.26 -2.13 105.19 109.49 1wgk n GLY 20 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.86 2.99 0.28 -0.02 0.00 -1.26 -4.75 105.19 101.57 1wgk n GLY 21 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 1.44 -0.88 4.61 0.00 -1.89 0.36 119.26 122.90 1wgk h ALA 22 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1wgk h ALA 22 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1wgk h ALA 22 CO 0.00 -0.44 0.57 1.05 0.00 0.00 0.00 179.25 180.43 1wgk h GLU 23 N 0.00 0.76 -0.94 0.00 4.11 -1.82 -0.73 114.58 115.97 1wgk h GLU 23 Ca 0.00 -0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.51 1wgk h GLU 23 Cb 0.97 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 1wgk h GLU 23 CO 0.00 0.51 0.60 -0.07 0.07 0.00 0.00 179.01 180.12 1wgk h LEU 24 N 0.79 0.80 -0.25 3.06 3.38 -1.23 0.43 115.31 122.29 1wgk h LEU 24 Ca 0.42 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1wgk h LEU 24 Cb 0.54 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wgk h LEU 24 CO -0.19 0.43 0.00 0.18 0.09 0.00 0.00 178.44 178.95 1wgk n LEU 25 N -4.58 0.13 -3.58 1.67 4.77 -0.28 -3.24 117.00 111.89 1wgk n LEU 25 Ca 0.18 0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 56.43 1wgk n LEU 25 Cb 0.39 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1wgk n LEU 25 CO 0.29 -0.49 -0.24 -0.36 -1.33 0.00 0.00 177.39 175.26 1wgk s PHE 26 N -3.10 1.76 -0.38 -1.77 0.40 0.13 -2.93 117.98 112.07 1wgk s PHE 26 Ca 0.02 -2.47 0.00 0.00 -0.60 0.00 0.00 56.93 53.88 1wgk s PHE 26 Cb 0.05 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.07 1wgk s PHE 26 CO 0.14 -0.76 0.00 -3.47 0.70 0.00 0.00 175.22 171.83 1wgk n ASP 27 N 2.97 -1.70 -3.84 1.36 2.03 -1.24 -2.25 116.55 113.89 1wgk n ASP 27 Ca 0.21 0.30 -0.27 0.00 0.52 0.00 0.00 54.79 55.54 1wgk n ASP 27 Cb 0.41 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wgk n GLY 28 N -0.43 -1.26 3.00 0.27 0.00 0.10 -4.94 105.19 101.92 1wgk n GLY 28 Ca -0.05 0.57 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 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 0.10 -0.06 1.61 1.01 -0.95 -4.84 120.40 114.23 1wgk s VAL 29 Ca 0.06 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1wgk s VAL 29 Cb -0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 36.38 35.96 1wgk s VAL 29 CO 0.90 -0.46 0.66 0.11 0.00 0.00 0.00 175.10 176.32 1wgk h LYS 30 N 4.66 -0.29 -5.97 2.72 1.57 -1.91 -3.43 116.57 113.94 1wgk h LYS 30 Ca -0.31 0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 57.81 1wgk h LYS 30 Cb 1.21 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.41 1wgk h LYS 30 CO 0.41 0.02 -0.66 0.15 -0.57 0.00 0.00 179.45 178.80 1wgk s LYS 31 N -3.09 2.97 -0.09 3.15 1.02 -1.26 -2.62 119.74 119.81 1wgk s LYS 31 Ca -0.10 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 1wgk s LYS 31 Cb 0.00 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1wgk s LYS 31 CO 0.34 0.63 -0.03 -1.01 -0.92 0.00 0.00 175.35 174.36 1wgk s HIS 32 N -0.70 1.00 -0.23 3.18 3.76 0.12 -5.00 115.29 117.43 1wgk s HIS 32 Ca 0.11 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 1wgk s HIS 32 Cb -0.11 -0.98 0.01 0.00 1.11 0.00 0.00 32.58 32.60 1wgk s HIS 32 CO 0.02 -0.41 1.09 -0.65 -0.85 0.00 0.00 174.74 173.93 1wgk s GLN 33 N 1.87 4.23 -0.07 1.40 -0.21 -1.26 -1.22 119.66 124.39 1wgk s GLN 33 Ca 0.05 1.38 0.01 0.00 0.02 0.00 0.00 55.36 56.82 1wgk s GLN 33 Cb -0.13 -3.67 -0.03 0.00 1.00 0.00 0.00 33.01 30.18 1wgk s GLN 33 CO -0.06 -0.68 -0.07 0.08 -2.12 0.00 0.00 175.29 172.44 1wgk s VAL 34 N 3.31 3.67 -0.38 1.09 1.01 -0.18 -4.99 120.40 123.94 1wgk s VAL 34 Ca 0.46 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1wgk s VAL 34 Cb -0.16 -2.50 0.12 0.00 0.00 0.00 0.00 36.38 33.84 1wgk s VAL 34 CO 0.09 0.60 0.19 0.00 0.00 0.00 0.00 175.10 175.97 1wgk s ALA 35 N -0.76 1.65 0.47 5.51 0.00 -1.26 -0.17 121.76 127.20 1wgk s ALA 35 Ca 0.12 -2.10 -0.22 0.00 0.00 0.00 0.00 51.96 49.75 1wgk s ALA 35 Cb -0.11 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 1wgk s ALA 35 CO 0.01 -1.94 1.14 -0.51 0.00 0.00 0.00 175.76 174.47 1wgk s LEU 36 N 0.96 3.97 0.00 0.00 1.43 0.29 -4.87 118.68 120.45 1wgk s LEU 36 Ca 0.15 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1wgk s LEU 36 Cb -0.22 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1wgk s LEU 36 CO -0.09 -0.92 0.00 -0.81 0.23 0.00 0.00 176.35 174.76 1wgk n PRO 37 N -0.63 -0.34 -5.07 1.29 -0.04 -1.26 -1.38 135.00 127.57 1wgk n PRO 37 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 1wgk n PRO 37 Cb 0.49 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.79 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 -1.99 1.14 0.35 0.55 0.00 -1.26 -4.01 107.32 102.11 1wgk s GLY 38 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 1wgk s GLY 38 CO 0.00 -0.44 0.64 -0.86 0.00 0.00 0.00 173.10 172.44 1wgk s GLN 39 N 0.05 2.02 0.30 2.90 -2.07 -1.26 -4.57 119.66 117.02 1wgk s GLN 39 Ca -0.07 -1.50 0.03 0.00 -1.82 0.00 0.00 55.36 52.00 1wgk s GLN 39 Cb -0.14 0.55 0.48 0.00 -1.09 0.00 0.00 33.01 32.80 1wgk s GLN 39 CO 0.04 -0.90 1.79 0.93 -1.32 0.00 0.00 175.29 175.83 1wgk h GLU 40 N 2.06 0.54 -5.45 9.60 4.39 -1.95 -3.41 114.58 120.36 1wgk h GLU 40 Ca -0.29 -0.16 -0.59 0.00 0.34 0.00 0.00 59.36 58.66 1wgk h GLU 40 Cb 1.25 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.74 1wgk h GLU 40 CO 0.38 0.65 -0.36 -1.21 -1.16 0.00 0.00 179.01 177.31 1wgk s GLU 41 N -4.74 4.24 0.48 2.33 2.02 -1.26 -5.07 118.70 116.69 1wgk s GLU 41 Ca -0.07 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 54.73 1wgk s GLU 41 Cb 0.15 -3.42 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 1wgk s GLU 41 CO 0.78 0.25 1.15 -1.25 0.02 0.00 0.00 175.26 176.22 1wgk s PRO 42 N 0.44 3.64 0.03 0.39 0.04 -1.26 -4.97 135.00 133.31 1wgk s PRO 42 Ca 0.15 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1wgk s PRO 42 Cb -0.13 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1wgk s PRO 42 CO 0.03 -0.63 1.39 -1.58 0.04 0.00 0.00 177.00 176.24 1wgk s TRP 43 N -1.61 2.96 0.20 0.56 0.52 -1.26 -4.95 118.94 115.36 1wgk s TRP 43 Ca 0.66 0.87 0.10 0.00 0.02 0.00 0.00 56.10 57.74 1wgk s TRP 43 Cb -0.27 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.35 1wgk s TRP 43 CO 0.32 -2.39 -0.19 -0.51 0.02 0.00 0.00 176.95 174.21 1wgk s ASP 44 N 1.68 2.99 0.05 2.95 1.01 -1.26 -1.06 116.67 123.03 1wgk s ASP 44 Ca 0.64 -0.93 -0.10 0.00 0.71 0.00 0.00 52.55 52.87 1wgk s ASP 44 Cb -0.33 -0.20 -0.02 0.00 1.01 0.00 0.00 42.92 43.38 1wgk s ASP 44 CO 0.28 -0.02 0.98 -0.38 0.21 0.00 0.00 175.17 176.24 1wgk n ILE 45 N -0.04 -0.22 -0.27 0.77 2.08 -0.57 0.10 119.36 121.21 1wgk n ILE 45 Ca -0.10 1.50 0.19 0.00 0.56 0.00 0.00 62.75 64.90 1wgk n ILE 45 Cb 0.58 -1.93 0.36 0.00 -0.75 0.00 0.00 39.64 37.91 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 -3.68 -0.06 -0.01 0.38 1.85 -1.26 -0.18 116.66 113.70 1wgk n ARG 46 Ca 0.01 1.15 -0.08 0.00 -1.00 0.00 0.00 57.85 57.92 1wgk n ARG 46 Cb 0.08 -1.95 -0.07 0.00 -1.05 0.00 0.00 32.46 29.48 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 -0.08 -0.79 2.89 -0.26 0.34 -3.32 115.58 114.36 1wgk h ASN 47 Ca 0.59 -0.43 0.28 0.00 -0.56 0.00 0.00 56.30 56.18 1wgk h ASN 47 Cb 1.43 0.02 -0.14 0.00 -1.06 0.00 0.00 38.32 38.57 1wgk h ASN 47 CO -0.68 0.60 0.23 -0.11 -1.06 0.00 0.00 177.43 176.40 1wgk n LEU 48 N -4.78 0.10 0.10 1.61 7.94 0.88 0.22 117.00 123.06 1wgk n LEU 48 Ca -0.06 1.33 -0.16 0.00 -1.11 0.00 0.00 56.01 56.01 1wgk n LEU 48 Cb 0.24 -0.57 -0.10 0.00 0.53 0.00 0.00 43.42 43.53 1wgk n LEU 48 CO 0.19 -1.42 0.51 -0.07 -1.11 0.00 0.00 177.39 175.50 1wgk h LEU 49 N 0.00 -1.56 0.00 -1.96 -0.00 -1.40 -0.94 115.31 109.44 1wgk h LEU 49 Ca 0.58 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.63 1wgk h LEU 49 Cb 1.40 0.58 0.00 0.00 -0.00 0.00 0.00 40.66 42.64 1wgk h LEU 49 CO -0.67 -0.54 0.00 0.52 -0.00 0.00 0.00 178.44 177.75 1wgk n VAL 50 N -5.37 0.00 -0.28 1.22 0.31 0.13 0.14 118.33 114.48 1wgk n VAL 50 Ca -0.08 1.35 -0.10 0.00 -0.01 0.00 0.00 64.34 65.50 1wgk n VAL 50 Cb 0.40 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 1wgk n VAL 50 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 1wgk h TRP 51 N 0.00 -1.63 -0.03 3.52 7.01 -1.54 1.39 115.95 124.68 1wgk h TRP 51 Ca 0.00 0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1wgk h TRP 51 Cb 0.00 0.81 -0.00 0.00 -2.10 0.00 0.00 29.16 27.87 1wgk h TRP 51 CO -0.65 -0.43 0.13 0.82 -2.79 0.00 0.00 178.44 175.53 1wgk h ILE 52 N -0.18 0.11 0.00 2.65 2.04 -0.35 1.20 117.51 122.98 1wgk h ILE 52 Ca 0.15 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 1wgk h ILE 52 Cb 0.52 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1wgk h ILE 52 CO -0.78 0.00 -1.16 0.11 0.00 0.00 0.00 178.15 176.32 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 1.03 0.46 116.57 122.00 1wgk h LYS 53 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wgk h LYS 53 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wgk h LYS 53 CO -0.00 0.16 -0.43 1.63 -0.57 0.00 0.00 179.45 180.24 1wgk n LYS 54 N -2.81 0.23 0.00 3.15 4.01 0.17 -4.32 118.16 118.59 1wgk n LYS 54 Ca -0.05 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1wgk n LYS 54 Cb 0.70 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 1wgk n LYS 54 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1wgk n ASN 55 N -3.49 0.00 0.14 4.39 3.02 0.38 -4.14 115.26 115.56 1wgk n ASN 55 Ca -0.06 0.70 -0.09 0.00 -0.03 0.00 0.00 54.58 55.10 1wgk n ASN 55 Cb 0.23 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.71 -9.69 3.41 5.85 -1.66 -3.41 115.31 109.10 1wgk h LEU 56 Ca 0.00 0.06 -0.53 0.00 0.84 0.00 0.00 57.88 58.25 1wgk h LEU 56 Cb 0.00 0.24 0.06 0.00 0.37 0.00 0.00 40.66 41.32 1wgk h LEU 56 CO 0.00 -0.33 0.84 -0.22 -0.34 0.00 0.00 178.44 178.40 1wgk s LEU 57 N -7.29 4.37 0.00 2.25 2.96 0.16 -4.58 118.68 116.56 1wgk s LEU 57 Ca -0.09 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 1wgk s LEU 57 Cb 0.02 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1wgk s LEU 57 CO 0.30 -0.80 0.28 0.29 -1.32 0.00 0.00 176.35 175.10 1wgk n LYS 58 N 3.07 0.27 -3.20 1.98 4.76 -1.15 -4.04 118.16 119.85 1wgk n LYS 58 Ca 0.10 -0.28 -0.21 0.00 -2.87 0.00 0.00 58.31 55.05 1wgk n LYS 58 Cb 0.39 -0.76 0.04 0.00 -1.84 0.00 0.00 35.03 32.86 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 -0.12 0.68 -1.67 1.97 1.02 -1.25 -5.04 120.64 116.22 1wgk n GLU 59 Ca 0.00 -3.04 -0.42 0.00 -0.02 0.00 0.00 57.16 53.68 1wgk n GLU 59 Cb 0.06 0.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.47 1wgk n GLU 59 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wgk n ARG 60 N -1.97 2.87 0.01 3.49 5.12 -1.26 -4.91 116.66 120.01 1wgk n ARG 60 Ca 0.08 1.05 -0.13 0.00 -1.93 0.00 0.00 57.85 56.92 1wgk n ARG 60 Cb 0.57 -2.99 -0.09 0.00 -1.16 0.00 0.00 32.46 28.78 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 10.06 -0.06 -0.98 5.56 0.13 -1.91 -3.20 132.00 141.60 1wgk h PRO 61 Ca -0.49 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.01 1wgk h PRO 61 Cb 1.23 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 1wgk h PRO 61 CO 0.94 0.40 0.59 0.39 -0.23 0.00 0.00 178.00 180.10 1wgk n GLU 62 N -4.89 -0.04 0.10 0.86 -0.58 -1.09 0.95 120.64 115.96 1wgk n GLU 62 Ca -0.08 1.04 -0.12 0.00 -0.42 0.00 0.00 57.16 57.57 1wgk n GLU 62 Cb 0.25 -1.97 -0.08 0.00 -0.57 0.00 0.00 31.44 29.08 1wgk n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wgk h LEU 63 N 0.00 -0.26 0.08 -4.62 4.07 -1.96 -3.40 115.31 109.23 1wgk h LEU 63 Ca 0.69 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 58.38 1wgk h LEU 63 Cb 2.07 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.88 1wgk h LEU 63 CO -0.47 0.21 -0.04 0.15 -1.08 0.00 0.00 178.44 177.21 1wgk h PHE 64 N -0.82 -0.11 -4.12 1.13 3.57 0.53 -3.47 116.94 113.65 1wgk h PHE 64 Ca -0.03 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.92 1wgk h PHE 64 Cb 0.51 0.03 -0.25 0.00 2.79 0.00 0.00 35.95 39.03 1wgk h PHE 64 CO 0.06 -0.07 -0.83 0.42 -2.23 0.00 0.00 178.31 175.66 1wgk s ILE 65 N -1.95 1.53 -0.31 1.41 1.01 0.22 -4.26 121.20 118.85 1wgk s ILE 65 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 59.50 1wgk s ILE 65 Cb 0.00 -1.35 0.09 0.00 0.01 0.00 0.00 42.46 41.21 1wgk s ILE 65 CO 0.05 0.14 0.00 -1.58 0.00 0.00 0.00 174.94 173.55 1wgk s GLN 66 N -1.21 1.63 0.03 2.79 0.74 -1.26 -2.66 119.66 119.72 1wgk s GLN 66 Ca 0.06 -1.58 0.00 0.00 0.05 0.00 0.00 55.36 53.89 1wgk s GLN 66 Cb -0.09 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1wgk s GLN 66 CO 0.02 -0.81 0.00 0.41 -0.55 0.00 0.00 175.29 174.35 1wgk n GLY 67 N 4.39 -1.68 0.15 2.59 0.00 -1.26 -4.44 105.19 104.93 1wgk n GLY 67 Ca -0.03 -1.98 0.03 0.00 0.00 0.00 0.00 46.02 44.04 1wgk n GLY 67 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wgk h ASP 68 N 0.01 0.00 -1.92 1.61 1.82 -1.96 -3.46 116.42 112.52 1wgk h ASP 68 Ca 0.00 0.00 -0.44 0.00 -0.39 0.00 0.00 57.03 56.20 1wgk h ASP 68 Cb 0.00 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.02 1wgk h ASP 68 CO 0.00 0.50 -0.30 -0.55 -1.61 0.00 0.00 179.24 177.28 1wgk s SER 69 N -6.46 5.93 0.10 2.28 0.15 -1.26 -4.76 113.70 109.68 1wgk s SER 69 Ca 0.03 -0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1wgk s SER 69 Cb 0.08 -1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.10 1wgk s SER 69 CO 0.73 -0.49 0.96 0.68 1.20 0.00 0.00 173.24 176.32 1wgk s VAL 70 N -2.24 4.54 1.00 4.45 -7.23 -1.26 -3.98 120.40 115.68 1wgk s VAL 70 Ca 0.46 2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 62.51 1wgk s VAL 70 Cb -0.10 -4.32 -0.10 0.00 0.56 0.00 0.00 36.38 32.43 1wgk s VAL 70 CO 0.32 0.30 -0.63 0.54 -0.31 0.00 0.00 175.10 175.33 1wgk n ARG 71 N 2.90 -0.20 0.00 4.82 1.74 -1.26 -4.75 116.66 119.91 1wgk n ARG 71 Ca 0.03 -0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 1wgk n ARG 71 Cb 0.49 -1.24 0.29 0.00 -1.02 0.00 0.00 32.46 30.98 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 1.22 0.49 -0.03 5.56 -0.04 -1.26 -2.74 135.00 138.20 1wgk n PRO 72 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1wgk n PRO 72 Cb 0.60 -1.31 -0.04 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 -0.22 3.60 0.55 0.00 -1.26 -4.95 105.19 102.89 1wgk n GLY 73 Ca 0.07 -0.08 -0.43 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 -2.13 4.00 -0.24 -0.61 -1.09 -1.11 -2.92 121.20 117.10 1wgk s ILE 74 Ca -0.04 1.00 -0.15 0.00 -2.23 0.00 0.00 60.65 59.22 1wgk s ILE 74 Cb 0.02 -4.38 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1wgk s ILE 74 CO 0.20 -0.90 0.38 -0.76 -1.23 0.00 0.00 174.94 172.62 1wgk s LEU 75 N 5.16 4.09 0.18 2.97 1.43 0.71 -4.64 118.68 128.57 1wgk s LEU 75 Ca 0.55 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 1wgk s LEU 75 Cb -0.11 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1wgk s LEU 75 CO 0.32 -0.13 0.30 0.68 0.23 0.00 0.00 176.35 177.74 1wgk s VAL 76 N 1.72 5.25 -0.12 -1.59 -7.23 -1.26 -0.72 120.40 116.45 1wgk s VAL 76 Ca 0.17 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1wgk s VAL 76 Cb -0.15 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.09 1wgk s VAL 76 CO 0.09 -0.17 0.25 -0.76 -0.31 0.00 0.00 175.10 174.20 1wgk s LEU 77 N -3.47 -0.17 -0.26 1.32 1.43 -0.08 -3.93 118.68 113.52 1wgk s LEU 77 Ca 0.34 0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 1wgk s LEU 77 Cb -0.10 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.76 1wgk s LEU 77 CO 0.28 -0.23 0.31 -0.63 0.23 0.00 0.00 176.35 176.31 1wgk s ILE 78 N 2.21 5.23 -1.63 -0.59 1.01 -0.14 -0.59 121.20 126.71 1wgk s ILE 78 Ca -0.01 0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.93 1wgk s ILE 78 Cb -0.12 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.84 1wgk s ILE 78 CO -0.08 0.20 0.84 0.59 0.00 0.00 0.00 174.94 176.49 1wgk n ASN 79 N 5.11 -3.68 -2.76 3.58 3.02 0.03 -0.71 115.26 119.85 1wgk n ASN 79 Ca -0.10 -0.93 -0.15 0.00 -0.03 0.00 0.00 54.58 53.37 1wgk n ASN 79 Cb 0.51 -3.19 0.06 0.00 -0.61 0.00 0.00 39.78 36.56 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 -2.74 -3.79 -3.69 6.41 2.03 -1.26 -5.03 116.55 108.49 1wgk n ASP 80 Ca 0.04 -0.42 -0.10 0.00 0.52 0.00 0.00 54.79 54.83 1wgk n ASP 80 Cb 0.51 -3.83 -0.10 0.00 -0.72 0.00 0.00 41.12 36.98 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgk s ALA 81 N -3.25 -1.12 -0.14 -1.67 0.00 0.12 -5.12 121.76 110.58 1wgk s ALA 81 Ca 0.24 1.58 -0.39 0.00 0.00 0.00 0.00 51.96 53.39 1wgk s ALA 81 Cb -0.10 -1.02 -0.16 0.00 0.00 0.00 0.00 23.12 21.83 1wgk s ALA 81 CO 0.53 -0.35 1.57 -0.25 0.00 0.00 0.00 175.76 177.26 1wgk n ASP 82 N 4.44 1.99 0.21 0.00 8.00 -1.26 -0.96 116.55 128.96 1wgk n ASP 82 Ca -0.21 1.10 0.15 0.00 0.71 0.00 0.00 54.79 56.54 1wgk n ASP 82 Cb 0.55 -1.14 0.68 0.00 -0.02 0.00 0.00 41.12 41.18 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1wgk h TRP 83 N 6.00 0.00 0.00 1.24 5.08 -1.91 -2.03 115.95 124.32 1wgk h TRP 83 Ca -0.47 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.44 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 0.70 0.00 -0.29 0.93 -1.28 0.00 0.00 178.44 178.50 1wgk h GLU 84 N 0.00 0.00 0.07 0.12 5.08 -1.89 0.17 114.58 118.12 1wgk h GLU 84 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1wgk h GLU 84 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1wgk h GLU 84 CO 0.00 0.29 -1.32 -0.07 -1.00 0.00 0.00 179.01 176.91 1wgk h LEU 85 N 0.00 0.22 0.00 1.33 4.07 -1.73 -3.41 115.31 115.79 1wgk h LEU 85 Ca -0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1wgk h LEU 85 Cb 0.87 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1wgk h LEU 85 CO 0.04 1.22 -0.16 -0.07 -1.08 0.00 0.00 178.44 178.39 1wgk h LEU 86 N 0.04 0.00 -5.10 1.67 3.38 -1.54 -3.49 115.31 110.27 1wgk h LEU 86 Ca -0.15 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.98 1wgk h LEU 86 Cb 1.93 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.50 1wgk h LEU 86 CO 0.15 0.25 -0.06 -0.83 0.09 0.00 0.00 178.44 178.04 1wgk s GLY 87 N -3.05 -1.59 0.00 0.83 0.00 0.37 -4.78 107.32 99.10 1wgk s GLY 87 Ca -0.05 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1wgk s GLY 87 CO 0.07 4.40 0.56 1.18 0.00 0.00 0.00 173.10 179.30 1wgk n GLU 88 N 3.58 0.00 -0.43 2.90 1.02 0.05 -0.50 120.64 127.26 1wgk n GLU 88 Ca 0.05 0.56 0.08 0.00 -0.02 0.00 0.00 57.16 57.82 1wgk n GLU 88 Cb 0.64 -0.92 0.25 0.00 -0.02 0.00 0.00 31.44 31.39 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 -1.81 3.85 -0.03 -4.62 4.77 -1.26 -4.42 117.00 113.48 1wgk n LEU 89 Ca 0.00 -2.80 -0.01 0.00 -0.03 0.00 0.00 56.01 53.17 1wgk n LEU 89 Cb 0.00 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.51 1wgk n LEU 89 CO 0.00 0.69 -0.75 -0.67 -1.33 0.00 0.00 177.39 175.33 1wgk n ASP 90 N -0.19 2.53 -4.68 -1.43 2.03 -0.96 -4.32 116.55 109.54 1wgk n ASP 90 Ca 0.20 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.09 1wgk n ASP 90 Cb 0.82 1.04 -0.03 0.00 -0.72 0.00 0.00 41.12 42.23 1wgk n ASP 90 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1wgk s TYR 91 N -2.44 1.68 -0.45 -0.67 6.14 0.35 -4.88 117.35 117.07 1wgk s TYR 91 Ca -0.05 -0.26 -0.12 0.00 0.64 0.00 0.00 57.07 57.28 1wgk s TYR 91 Cb 0.05 -4.22 0.09 0.00 0.42 0.00 0.00 41.96 38.29 1wgk s TYR 91 CO 0.43 -5.27 0.34 -0.65 0.64 0.00 0.00 175.55 171.03 1wgk s GLN 92 N 3.64 2.76 0.34 4.97 -0.21 -1.26 -1.51 119.66 128.37 1wgk s GLN 92 Ca 0.85 -1.48 -0.29 0.00 0.02 0.00 0.00 55.36 54.46 1wgk s GLN 92 Cb -0.44 -3.97 -0.11 0.00 1.00 0.00 0.00 33.01 29.49 1wgk s GLN 92 CO 0.39 -1.04 1.53 1.28 -2.12 0.00 0.00 175.29 175.33 1wgk n LEU 93 N 5.05 4.54 0.00 2.90 4.77 -0.22 -4.94 117.00 129.09 1wgk n LEU 93 Ca -0.11 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1wgk n LEU 93 Cb 0.43 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1wgk n LEU 93 CO 0.44 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.63 1wgk n GLN 94 N 1.24 0.00 -3.76 3.23 1.13 -1.26 -4.31 117.38 113.65 1wgk n GLN 94 Ca 0.05 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.09 1wgk n GLN 94 Cb 0.38 -0.33 -0.00 0.00 0.11 0.00 0.00 30.24 30.39 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 -3.13 -0.08 0.00 1.08 2.15 -1.26 -4.73 116.67 110.70 1wgk s ASP 95 Ca 0.00 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.62 1wgk s ASP 95 Cb 0.00 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1wgk s ASP 95 CO 0.00 -0.68 0.00 0.00 -0.17 0.00 0.00 175.17 174.32 1wgk n GLN 96 N -0.56 -2.38 -2.92 4.34 1.13 -0.88 -4.86 117.38 111.25 1wgk n GLN 96 Ca -0.05 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.76 1wgk n GLN 96 Cb 0.61 -4.21 0.01 0.00 0.11 0.00 0.00 30.24 26.75 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 -1.66 5.95 -0.09 1.08 1.01 -1.25 -4.94 116.67 116.76 1wgk s ASP 97 Ca 0.00 0.48 0.02 0.00 0.71 0.00 0.00 52.55 53.76 1wgk s ASP 97 Cb 0.00 -1.76 0.01 0.00 1.01 0.00 0.00 42.92 42.18 1wgk s ASP 97 CO 0.00 -0.66 -0.14 -0.94 0.21 0.00 0.00 175.17 173.64 1wgk s SER 98 N -4.18 2.15 -0.11 0.27 1.04 -1.26 -1.82 113.70 109.78 1wgk s SER 98 Ca 0.47 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1wgk s SER 98 Cb -0.10 -0.97 0.01 0.00 0.10 0.00 0.00 66.02 65.06 1wgk s SER 98 CO 0.40 0.02 -0.20 -0.63 0.98 0.00 0.00 173.24 173.81 1wgk s ILE 99 N 0.84 1.83 -0.02 -1.02 -1.09 -0.71 -0.79 121.20 120.24 1wgk s ILE 99 Ca -0.10 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.47 1wgk s ILE 99 Cb -0.15 -1.61 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 1wgk s ILE 99 CO 0.01 0.51 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.96 1wgk s LEU 100 N 0.62 3.24 -0.19 2.97 2.96 0.24 -1.56 118.68 126.96 1wgk s LEU 100 Ca -0.13 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1wgk s LEU 100 Cb -0.16 -1.82 0.06 0.00 0.50 0.00 0.00 46.19 44.76 1wgk s LEU 100 CO 0.04 0.30 0.01 -0.36 -1.32 0.00 0.00 176.35 175.02 1wgk s PHE 101 N -0.97 1.35 0.06 5.38 0.40 0.77 -0.90 117.98 124.07 1wgk s PHE 101 Ca 0.16 -1.02 0.05 0.00 -0.60 0.00 0.00 56.93 55.52 1wgk s PHE 101 Cb -0.11 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1wgk s PHE 101 CO 0.06 -0.63 -0.04 -1.50 0.70 0.00 0.00 175.22 173.81 1wgk s ILE 102 N 1.75 3.77 -0.26 0.64 2.07 0.10 -1.41 121.20 127.86 1wgk s ILE 102 Ca -0.02 -0.97 0.01 0.00 -1.41 0.00 0.00 60.65 58.26 1wgk s ILE 102 Cb -0.17 -2.74 0.05 0.00 0.13 0.00 0.00 42.46 39.73 1wgk s ILE 102 CO -0.07 0.21 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.52 1wgk s SER 103 N -2.00 4.41 -0.40 4.50 0.15 -0.90 -0.21 113.70 119.25 1wgk s SER 103 Ca 0.22 -1.25 0.05 0.00 0.70 0.00 0.00 55.95 55.67 1wgk s SER 103 Cb -0.11 -1.59 0.44 0.00 -1.71 0.00 0.00 66.02 63.05 1wgk s SER 103 CO 0.14 -0.18 1.31 1.07 1.20 0.00 0.00 173.24 176.77 1wgk n THR 104 N 4.51 2.67 -3.79 6.45 5.66 -1.15 -4.76 114.28 123.86 1wgk n THR 104 Ca -0.15 -4.26 -0.29 0.00 -3.05 0.00 0.00 64.05 56.30 1wgk n THR 104 Cb 0.43 -1.18 -0.16 0.00 -1.55 0.00 0.00 70.33 67.88 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 -3.63 1.87 -0.23 1.09 0.20 -1.26 -4.97 118.68 111.74 1wgk s LEU 105 Ca 0.52 -1.14 0.01 0.00 0.69 0.00 0.00 54.13 54.21 1wgk s LEU 105 Cb 0.42 -0.83 0.05 0.00 -0.43 0.00 0.00 46.19 45.40 1wgk s LEU 105 CO -0.05 -0.32 -0.09 -1.00 -0.29 0.00 0.00 176.35 174.61 1wgk s HIS 106 N 1.66 2.68 -0.39 5.38 3.76 -1.26 -5.05 115.29 122.07 1wgk s HIS 106 Ca 0.01 -1.88 0.04 0.00 -0.15 0.00 0.00 55.06 53.08 1wgk s HIS 106 Cb -0.18 -1.71 0.16 0.00 1.11 0.00 0.00 32.58 31.96 1wgk s HIS 106 CO -0.12 -0.80 0.43 0.20 -0.85 0.00 0.00 174.74 173.60 1wgk s GLY 107 N 1.30 -0.14 -0.07 -2.22 0.00 -1.26 -4.96 107.32 99.96 1wgk s GLY 107 Ca -0.05 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1wgk s GLY 107 CO -0.07 2.86 0.67 0.61 0.00 0.00 0.00 173.10 177.17 1wgk n GLY 108 N 4.02 -0.17 3.53 0.20 0.00 -1.26 -5.16 105.19 106.34 1wgk n GLY 108 Ca 0.13 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.30 2.92 0.00 1.61 0.15 -1.26 -5.16 113.70 111.65 1wgk s SER 109 Ca 0.02 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.22 1wgk s SER 109 Cb 0.10 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1wgk s SER 109 CO -0.03 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1wgk n GLY 110 N -0.83 0.21 0.00 9.45 0.00 -1.26 -4.99 105.19 107.76 1wgk n GLY 110 Ca -0.05 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.13 0.08 -4.20 1.61 -0.04 -1.26 -4.75 135.00 126.32 1wgk n PRO 111 Ca 0.00 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1wgk n PRO 111 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1wgk n PRO 111 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgk s SER 112 N -2.83 1.34 -0.16 3.54 0.01 -1.26 -5.15 113.70 109.20 1wgk s SER 112 Ca 0.10 -1.02 -0.01 0.00 1.31 0.00 0.00 55.95 56.32 1wgk s SER 112 Cb 0.10 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.43 1wgk s SER 112 CO 0.25 -0.44 -0.03 -0.94 0.41 0.00 0.00 173.24 172.49 1wgk s SER 113 N -3.09 2.66 0.00 2.44 1.04 -1.26 -5.05 113.70 110.44 1wgk s SER 113 Ca 0.14 -0.60 0.25 0.00 0.48 0.00 0.00 55.95 56.22 1wgk s SER 113 Cb 0.05 -0.80 0.40 0.00 0.10 0.00 0.00 66.02 65.76 1wgk s SER 113 CO -0.02 -0.20 1.38 0.61 0.98 0.00 0.00 173.24 175.98