#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 -0.94 -0.08 1.61 3.41 -1.26 -4.77 113.62 111.59 1wgk n SER 2 Ca 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.51 1wgk n SER 2 Cb 0.00 -1.27 -0.03 0.00 -0.26 0.00 0.00 64.21 62.64 1wgk n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wgk h SER 3 N -0.81 0.35 0.00 4.04 4.64 -2.06 -3.46 113.55 116.24 1wgk h SER 3 Ca -0.49 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1wgk h SER 3 Cb 1.11 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1wgk h SER 3 CO 0.68 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 1wgk n GLY 4 N -0.70 1.55 3.46 -0.77 0.00 -1.26 -5.05 105.19 102.42 1wgk n GLY 4 Ca -0.03 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 1.00 6.23 -0.09 1.61 0.01 -1.26 -5.02 113.70 116.17 1wgk s SER 5 Ca 0.00 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.40 1wgk s SER 5 Cb 0.00 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.99 1wgk s SER 5 CO 0.00 -0.82 0.02 -0.55 0.41 0.00 0.00 173.24 172.30 1wgk s SER 6 N 2.48 1.76 0.00 2.44 0.15 -1.26 -5.07 113.70 114.20 1wgk s SER 6 Ca 0.15 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wgk s SER 6 Cb -0.19 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1wgk s SER 6 CO 0.13 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wgk n GLY 7 N 5.17 1.49 3.02 9.45 0.00 -1.26 -4.73 105.19 118.33 1wgk n GLY 7 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1wgk n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wgk n MET 8 N 0.00 -2.73 -2.99 1.61 0.00 -1.26 -4.74 117.12 107.01 1wgk n MET 8 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 57.70 57.69 1wgk n MET 8 Cb 0.00 -4.95 -0.06 0.00 0.00 0.00 0.00 33.22 28.21 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk s ALA 9 N -2.63 3.26 0.37 3.04 0.00 -1.26 -5.01 121.76 119.53 1wgk s ALA 9 Ca 0.24 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 1wgk s ALA 9 Cb -0.13 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 1wgk s ALA 9 CO 0.29 0.26 0.70 0.00 0.00 0.00 0.00 175.76 177.00 1wgk s ALA 10 N -1.83 3.44 0.42 0.00 0.00 -1.26 -4.06 121.76 118.46 1wgk s ALA 10 Ca 0.52 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 1wgk s ALA 10 Cb -0.13 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 1wgk s ALA 10 CO 0.19 0.07 1.18 -1.25 0.00 0.00 0.00 175.76 175.95 1wgk s PRO 11 N -3.75 3.96 -0.02 0.00 0.04 -1.26 -4.35 135.00 129.63 1wgk s PRO 11 Ca 0.49 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 1wgk s PRO 11 Cb -0.10 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1wgk s PRO 11 CO 0.31 -0.40 0.15 -0.51 0.04 0.00 0.00 177.00 176.58 1wgk s LEU 12 N -2.62 4.24 -0.23 -3.56 1.43 0.22 -4.89 118.68 113.26 1wgk s LEU 12 Ca 0.59 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1wgk s LEU 12 Cb -0.31 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.49 1wgk s LEU 12 CO 0.39 0.28 -0.14 0.00 0.23 0.00 0.00 176.35 177.10 1wgk s VAL 14 N 1.19 2.09 -0.35 0.00 -7.23 0.37 -1.63 120.40 114.83 1wgk s VAL 14 Ca -0.03 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1wgk s VAL 14 Cb -0.17 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 34.95 1wgk s VAL 14 CO -0.08 0.16 0.20 -0.54 -0.31 0.00 0.00 175.10 174.53 1wgk s LYS 15 N -1.71 3.10 -0.11 4.82 1.02 -0.85 -0.31 119.74 125.70 1wgk s LYS 15 Ca 0.12 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 55.12 1wgk s LYS 15 Cb -0.10 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1wgk s LYS 15 CO 0.04 -0.58 0.18 0.08 -0.92 0.00 0.00 175.35 174.15 1wgk s VAL 16 N 1.61 5.43 -0.07 3.17 1.01 -0.38 -1.78 120.40 129.39 1wgk s VAL 16 Ca 0.04 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 1wgk s VAL 16 Cb -0.18 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1wgk s VAL 16 CO 0.07 0.60 -0.03 -0.70 0.00 0.00 0.00 175.10 175.04 1wgk s GLU 17 N -0.90 0.82 -0.15 2.72 2.12 -0.97 0.17 118.70 122.52 1wgk s GLU 17 Ca 0.16 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 1wgk s GLU 17 Cb -0.13 -1.01 -0.04 0.00 0.26 0.00 0.00 34.13 33.22 1wgk s GLU 17 CO 0.05 -0.22 0.04 -0.06 -0.54 0.00 0.00 175.26 174.53 1wgk s PHE 18 N 1.56 3.24 -0.02 5.30 0.08 -1.14 -1.53 117.98 125.47 1wgk s PHE 18 Ca -0.01 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.19 1wgk s PHE 18 Cb -0.13 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1wgk s PHE 18 CO -0.04 0.29 -0.12 0.20 -0.10 0.00 0.00 175.22 175.45 1wgk s GLY 19 N -0.14 0.59 0.00 4.36 0.00 -1.13 -4.37 107.32 106.64 1wgk s GLY 19 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1wgk s GLY 19 CO 0.01 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.38 1wgk n GLY 20 N 2.93 1.07 3.52 0.20 0.00 -1.26 -2.80 105.19 108.84 1wgk n GLY 20 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 2.48 0.40 -0.02 0.00 -1.26 -4.74 105.19 101.99 1wgk n GLY 21 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 2.06 -0.85 4.61 0.00 -1.89 0.20 119.26 123.39 1wgk h ALA 22 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1wgk h ALA 22 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1wgk h ALA 22 CO 0.00 -0.85 0.55 1.05 0.00 0.00 0.00 179.25 180.00 1wgk h GLU 23 N 0.00 0.75 -0.88 0.00 4.11 -1.83 -0.76 114.58 115.97 1wgk h GLU 23 Ca 0.17 -0.05 0.10 0.00 0.07 0.00 0.00 59.36 59.66 1wgk h GLU 23 Cb 1.49 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1wgk h GLU 23 CO -0.00 0.50 0.57 -0.07 0.07 0.00 0.00 179.01 180.08 1wgk h LEU 24 N 0.78 0.77 0.00 3.06 3.38 -0.91 0.31 115.31 122.70 1wgk h LEU 24 Ca 0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1wgk h LEU 24 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wgk h LEU 24 CO -0.17 0.45 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1wgk n LEU 25 N -4.53 0.00 -3.60 1.67 4.77 -0.29 -3.24 117.00 111.78 1wgk n LEU 25 Ca 0.15 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 1wgk n LEU 25 Cb 0.33 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 1wgk n LEU 25 CO 0.31 -0.29 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.46 1wgk s PHE 26 N -2.75 1.64 0.00 -1.77 0.40 0.10 -3.89 117.98 111.70 1wgk s PHE 26 Ca 0.05 -2.29 0.00 0.00 -0.60 0.00 0.00 56.93 54.09 1wgk s PHE 26 Cb 0.04 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1wgk s PHE 26 CO 0.11 -0.78 0.00 -0.25 0.70 0.00 0.00 175.22 175.00 1wgk n ASP 27 N 3.37 -0.53 -3.69 1.36 9.92 -1.25 -1.98 116.55 123.76 1wgk n ASP 27 Ca 0.15 0.26 -0.23 0.00 -0.53 0.00 0.00 54.79 54.44 1wgk n ASP 27 Cb 0.38 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 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 -0.26 -1.18 3.10 0.44 0.00 -0.69 -4.98 105.19 101.62 1wgk n GLY 28 Ca 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.85 0.11 -0.12 1.61 1.01 -0.84 -4.88 120.40 114.44 1wgk s VAL 29 Ca 0.04 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1wgk s VAL 29 Cb -0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 36.38 35.54 1wgk s VAL 29 CO 0.88 -0.51 0.54 0.11 0.00 0.00 0.00 175.10 176.12 1wgk h LYS 30 N 3.98 -0.01 -5.58 2.72 1.57 -1.91 -3.42 116.57 113.93 1wgk h LYS 30 Ca -0.32 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.81 1wgk h LYS 30 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 1wgk h LYS 30 CO 0.46 0.66 -0.64 0.15 -0.57 0.00 0.00 179.45 179.51 1wgk s LYS 31 N -2.08 3.43 -0.24 3.15 1.02 -1.26 -2.87 119.74 120.89 1wgk s LYS 31 Ca -0.13 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 1wgk s LYS 31 Cb -0.02 -2.90 0.07 0.00 -0.52 0.00 0.00 37.83 34.46 1wgk s LYS 31 CO 0.47 0.43 0.02 -1.01 -0.92 0.00 0.00 175.35 174.34 1wgk s HIS 32 N -0.13 1.74 -0.18 3.18 3.76 0.13 -5.00 115.29 118.79 1wgk s HIS 32 Ca 0.04 -1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 53.23 1wgk s HIS 32 Cb -0.13 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1wgk s HIS 32 CO 0.02 -0.73 1.23 -0.65 -0.85 0.00 0.00 174.74 173.76 1wgk s GLN 33 N 1.61 4.22 -0.01 1.40 -0.21 -1.26 -1.25 119.66 124.15 1wgk s GLN 33 Ca -0.00 1.59 0.03 0.00 0.02 0.00 0.00 55.36 57.01 1wgk s GLN 33 Cb -0.18 -3.76 -0.03 0.00 1.00 0.00 0.00 33.01 30.05 1wgk s GLN 33 CO -0.11 -0.72 -0.10 0.08 -2.12 0.00 0.00 175.29 172.32 1wgk s VAL 34 N 3.51 3.39 -0.45 1.09 1.01 0.58 -4.99 120.40 124.54 1wgk s VAL 34 Ca 0.53 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1wgk s VAL 34 Cb -0.20 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 33.89 1wgk s VAL 34 CO 0.14 0.46 0.24 0.00 0.00 0.00 0.00 175.10 175.94 1wgk s ALA 35 N -0.89 2.26 0.54 5.51 0.00 -1.26 -0.48 121.76 127.44 1wgk s ALA 35 Ca 0.15 -2.66 -0.20 0.00 0.00 0.00 0.00 51.96 49.24 1wgk s ALA 35 Cb -0.11 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 1wgk s ALA 35 CO 0.05 -2.06 1.21 -0.51 0.00 0.00 0.00 175.76 174.44 1wgk s LEU 36 N 0.29 3.80 0.00 0.00 1.43 0.38 -4.81 118.68 119.78 1wgk s LEU 36 Ca 0.18 2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 55.52 1wgk s LEU 36 Cb -0.24 -4.45 0.22 0.00 0.03 0.00 0.00 46.19 41.75 1wgk s LEU 36 CO 0.00 -1.35 0.80 -0.81 0.23 0.00 0.00 176.35 175.22 1wgk n PRO 37 N -1.16 -2.58 -4.83 1.29 -0.04 -1.26 -0.61 135.00 125.81 1wgk n PRO 37 Ca 0.11 -1.28 -0.33 0.00 -0.04 0.00 0.00 63.50 61.96 1wgk n PRO 37 Cb 0.49 -1.20 -0.13 0.00 -0.04 0.00 0.00 33.50 32.61 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 -3.95 1.55 0.32 0.55 0.00 -1.26 -4.03 107.32 100.50 1wgk s GLY 38 Ca 0.52 -0.95 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 1wgk s GLY 38 CO 0.40 -0.60 0.73 -0.86 0.00 0.00 0.00 173.10 172.76 1wgk s GLN 39 N -0.45 1.94 0.41 2.90 -2.07 -1.26 -4.70 119.66 116.43 1wgk s GLN 39 Ca 0.06 -1.18 0.11 0.00 -1.82 0.00 0.00 55.36 52.52 1wgk s GLN 39 Cb -0.12 0.61 0.87 0.00 -1.09 0.00 0.00 33.01 33.27 1wgk s GLN 39 CO 0.02 -0.89 1.96 1.05 -1.32 0.00 0.00 175.29 176.10 1wgk h GLU 40 N 2.02 0.19 -5.60 9.60 4.11 -1.85 -3.40 114.58 119.65 1wgk h GLU 40 Ca -0.24 -0.04 -0.61 0.00 0.07 0.00 0.00 59.36 58.54 1wgk h GLU 40 Cb 1.25 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 1wgk h GLU 40 CO 0.30 0.31 -0.33 -1.21 0.07 0.00 0.00 179.01 178.15 1wgk s GLU 41 N -4.78 4.06 0.31 1.06 2.02 -1.26 -4.98 118.70 115.13 1wgk s GLU 41 Ca -0.05 0.11 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 1wgk s GLU 41 Cb 0.16 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.94 1wgk s GLU 41 CO 0.72 0.41 1.23 -1.25 0.02 0.00 0.00 175.26 176.39 1wgk s PRO 42 N -0.06 4.46 -0.58 0.39 0.04 -1.26 -4.93 135.00 133.06 1wgk s PRO 42 Ca 0.17 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 63.00 1wgk s PRO 42 Cb -0.13 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1wgk s PRO 42 CO 0.05 -0.04 1.97 -1.58 0.04 0.00 0.00 177.00 177.44 1wgk s TRP 43 N -1.15 1.55 0.33 0.56 0.52 -1.26 -4.88 118.94 114.60 1wgk s TRP 43 Ca 0.47 0.94 -0.02 0.00 0.02 0.00 0.00 56.10 57.51 1wgk s TRP 43 Cb -0.37 -3.99 -0.04 0.00 -1.15 0.00 0.00 33.47 27.92 1wgk s TRP 43 CO 0.48 -2.36 0.56 -0.51 0.02 0.00 0.00 176.95 175.14 1wgk s ASP 44 N 8.87 6.35 0.07 2.95 1.01 -1.26 -1.54 116.67 133.11 1wgk s ASP 44 Ca 0.73 0.57 -0.14 0.00 0.71 0.00 0.00 52.55 54.43 1wgk s ASP 44 Cb -0.14 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1wgk s ASP 44 CO 0.22 -0.27 1.24 0.40 0.21 0.00 0.00 175.17 176.97 1wgk h ILE 45 N 0.95 0.00 -0.82 0.77 1.08 -1.69 0.16 117.51 117.96 1wgk h ILE 45 Ca -0.49 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.13 1wgk h ILE 45 Cb 1.21 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.81 1wgk h ILE 45 CO 0.63 0.00 -0.26 -2.11 -0.69 0.00 0.00 178.15 175.73 1wgk n ARG 46 N -4.01 -0.13 0.30 2.37 1.85 -1.26 -0.25 116.66 115.53 1wgk n ARG 46 Ca 0.01 1.27 -0.16 0.00 -1.00 0.00 0.00 57.85 57.97 1wgk n ARG 46 Cb 0.12 -1.89 -0.08 0.00 -1.05 0.00 0.00 32.46 29.55 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 -0.63 -0.75 2.89 2.35 -1.09 -3.18 115.58 115.16 1wgk h ASN 47 Ca 0.35 -0.03 0.12 0.00 -0.55 0.00 0.00 56.30 56.19 1wgk h ASN 47 Cb 0.55 0.16 -0.13 0.00 0.05 0.00 0.00 38.32 38.95 1wgk h ASN 47 CO -0.83 -0.35 -0.36 0.25 -1.65 0.00 0.00 177.43 174.49 1wgk h LEU 48 N -0.91 -1.30 0.00 1.61 5.85 0.18 -2.53 115.31 118.21 1wgk h LEU 48 Ca -0.08 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1wgk h LEU 48 Cb 0.63 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1wgk h LEU 48 CO 0.13 -0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.11 1wgk n LEU 49 N -5.45 0.00 -0.27 2.25 7.99 0.01 -0.38 117.00 121.16 1wgk n LEU 49 Ca 0.06 0.66 -0.02 0.00 -0.01 0.00 0.00 56.01 56.71 1wgk n LEU 49 Cb 0.37 -0.27 0.02 0.00 -0.11 0.00 0.00 43.42 43.43 1wgk n LEU 49 CO -0.05 -0.27 0.40 0.52 -1.51 0.00 0.00 177.39 176.48 1wgk n VAL 50 N -2.19 -0.38 0.19 4.08 0.31 -0.96 0.69 118.33 120.06 1wgk n VAL 50 Ca 0.00 1.66 -0.17 0.00 -0.01 0.00 0.00 64.34 65.82 1wgk n VAL 50 Cb 0.00 -2.17 -0.10 0.00 -0.91 0.00 0.00 33.84 30.67 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 -1.43 -0.03 3.52 7.01 -0.67 -0.35 115.95 124.01 1wgk h TRP 51 Ca 0.23 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.26 1wgk h TRP 51 Cb 0.40 0.58 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1wgk h TRP 51 CO -0.63 -0.61 0.05 0.82 -2.79 0.00 0.00 178.44 175.27 1wgk h ILE 52 N -0.85 0.35 0.00 2.65 2.04 0.11 1.19 117.51 123.00 1wgk h ILE 52 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1wgk h ILE 52 Cb 0.79 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1wgk h ILE 52 CO -0.18 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.08 1wgk h LYS 53 N 0.00 0.00 0.00 2.37 1.57 0.18 0.22 116.57 120.91 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wgk h LYS 53 CO -0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1wgk n LYS 54 N -2.44 0.00 -0.11 3.15 5.02 0.60 -4.45 118.16 119.93 1wgk n LYS 54 Ca 0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 1wgk n LYS 54 Cb 0.43 -0.07 -0.07 0.00 -0.02 0.00 0.00 35.03 35.30 1wgk n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1wgk h ASN 55 N 0.00 -1.28 0.20 4.39 2.35 0.10 -3.25 115.58 118.10 1wgk h ASN 55 Ca 0.00 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1wgk h ASN 55 Cb 0.00 0.53 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wgk h ASN 55 CO 0.00 -0.26 -0.10 0.25 -1.65 0.00 0.00 177.43 175.67 1wgk h LEU 56 N -0.24 -0.23 -9.23 1.61 5.85 -1.64 -3.43 115.31 107.99 1wgk h LEU 56 Ca 0.05 0.01 -0.55 0.00 0.84 0.00 0.00 57.88 58.23 1wgk h LEU 56 Cb 0.39 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1wgk h LEU 56 CO -0.42 0.05 1.07 -0.22 -0.34 0.00 0.00 178.44 178.58 1wgk s LEU 57 N -7.12 4.26 -0.08 2.25 2.96 0.76 -4.68 118.68 117.03 1wgk s LEU 57 Ca -0.04 2.12 0.19 0.00 -0.22 0.00 0.00 54.13 56.19 1wgk s LEU 57 Cb 0.00 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.90 1wgk s LEU 57 CO 0.12 -0.94 0.38 0.29 -1.32 0.00 0.00 176.35 174.87 1wgk n LYS 58 N 7.13 0.66 -1.21 1.98 4.76 -1.25 -3.60 118.16 126.64 1wgk n LYS 58 Ca 0.17 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.37 1wgk n LYS 58 Cb 0.43 -1.58 0.15 0.00 -1.84 0.00 0.00 35.03 32.20 1wgk n LYS 58 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wgk n GLU 59 N -2.59 -1.27 -1.69 1.97 -0.58 -1.26 -4.95 120.64 110.27 1wgk n GLU 59 Ca -0.17 -1.40 -0.44 0.00 -0.42 0.00 0.00 57.16 54.73 1wgk n GLU 59 Cb 0.87 -1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 30.70 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 -3.18 2.58 0.01 3.49 3.00 -1.26 -4.92 116.66 116.39 1wgk n ARG 60 Ca 0.11 0.93 -0.13 0.00 -0.01 0.00 0.00 57.85 58.76 1wgk n ARG 60 Cb 0.41 -2.78 -0.09 0.00 0.00 0.00 0.00 32.46 30.00 1wgk n ARG 60 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1wgk h PRO 61 N 7.23 -0.07 -1.28 5.56 0.13 -1.84 -3.17 132.00 138.55 1wgk h PRO 61 Ca -0.45 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.08 1wgk h PRO 61 Cb 1.23 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 1wgk h PRO 61 CO 0.94 0.39 0.84 1.05 -0.23 0.00 0.00 178.00 180.99 1wgk h GLU 62 N -0.56 0.14 0.12 0.86 4.11 -1.81 0.73 114.58 118.17 1wgk h GLU 62 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1wgk h GLU 62 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wgk h GLU 62 CO 0.01 0.10 -0.06 -0.07 0.07 0.00 0.00 179.01 179.06 1wgk h LEU 63 N 0.15 -0.13 0.00 3.06 4.07 -1.95 -3.36 115.31 117.15 1wgk h LEU 63 Ca 0.75 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.62 1wgk h LEU 63 Cb 2.36 0.03 0.00 0.00 1.08 0.00 0.00 40.66 44.14 1wgk h LEU 63 CO -0.33 0.00 -0.06 0.15 -1.08 0.00 0.00 178.44 177.13 1wgk h PHE 64 N -0.26 0.00 -3.41 1.13 3.57 -0.53 -3.49 116.94 113.95 1wgk h PHE 64 Ca -0.02 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.11 1wgk h PHE 64 Cb 0.21 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 38.79 1wgk h PHE 64 CO -0.04 0.00 -0.73 0.42 -2.23 0.00 0.00 178.31 175.73 1wgk s ILE 65 N -1.51 1.29 -0.27 1.41 1.01 0.22 -4.37 121.20 118.97 1wgk s ILE 65 Ca -0.02 -1.92 -0.00 0.00 0.00 0.00 0.00 60.65 58.71 1wgk s ILE 65 Cb 0.00 -1.72 0.08 0.00 0.01 0.00 0.00 42.46 40.84 1wgk s ILE 65 CO 0.02 -0.59 0.04 -1.58 0.00 0.00 0.00 174.94 172.83 1wgk s GLN 66 N -3.26 1.05 0.56 2.79 2.00 -1.25 -2.31 119.66 119.23 1wgk s GLN 66 Ca 0.14 -1.03 0.00 0.00 -2.00 0.00 0.00 55.36 52.47 1wgk s GLN 66 Cb -0.01 -2.33 0.00 0.00 0.80 0.00 0.00 33.01 31.47 1wgk s GLN 66 CO 0.02 -0.81 0.00 0.41 -0.50 0.00 0.00 175.29 174.41 1wgk n GLY 67 N 4.76 -1.79 0.24 2.59 0.00 -1.26 -4.30 105.19 105.43 1wgk n GLY 67 Ca -0.05 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.08 1.61 5.19 -1.98 -3.43 116.42 115.73 1wgk h ASP 68 Ca 0.00 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.94 1wgk h ASP 68 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1wgk h ASP 68 CO 0.00 0.08 -0.44 -0.44 -3.12 0.00 0.00 179.24 175.32 1wgk s SER 69 N -5.98 5.96 0.29 6.45 0.01 -1.26 -4.34 113.70 114.82 1wgk s SER 69 Ca 0.03 -0.11 -0.28 0.00 1.31 0.00 0.00 55.95 56.89 1wgk s SER 69 Cb 0.08 -1.54 -0.09 0.00 0.21 0.00 0.00 66.02 64.67 1wgk s SER 69 CO 0.61 -0.16 1.00 0.68 0.41 0.00 0.00 173.24 175.78 1wgk s VAL 70 N -2.09 3.90 1.00 3.43 -7.23 -1.26 -3.82 120.40 114.33 1wgk s VAL 70 Ca 0.36 1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 62.16 1wgk s VAL 70 Cb -0.08 -4.08 0.01 0.00 0.56 0.00 0.00 36.38 32.78 1wgk s VAL 70 CO 0.28 0.33 -0.01 0.54 -0.31 0.00 0.00 175.10 175.92 1wgk n ARG 71 N 1.03 -0.54 0.00 4.82 1.74 -1.26 -4.79 116.66 117.66 1wgk n ARG 71 Ca -0.00 -0.13 0.05 0.00 -0.77 0.00 0.00 57.85 57.00 1wgk n ARG 71 Cb 0.47 -1.62 0.30 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.83 0.49 -0.02 5.56 -0.04 -1.26 -2.77 135.00 136.13 1wgk n PRO 72 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1wgk n PRO 72 Cb 0.57 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.15 3.66 0.55 0.00 -1.26 -4.99 105.19 102.98 1wgk n GLY 73 Ca 0.08 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.09 4.28 -0.33 -0.61 -1.09 -1.11 -3.41 121.20 116.84 1wgk s ILE 74 Ca -0.03 1.56 -0.11 0.00 -2.23 0.00 0.00 60.65 59.83 1wgk s ILE 74 Cb 0.01 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 36.88 1wgk s ILE 74 CO 0.14 -0.12 0.20 -0.76 -1.23 0.00 0.00 174.94 173.17 1wgk s LEU 75 N 3.38 4.34 0.30 2.97 1.43 0.06 -4.64 118.68 126.51 1wgk s LEU 75 Ca 0.55 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1wgk s LEU 75 Cb -0.22 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1wgk s LEU 75 CO 0.15 -0.22 0.45 0.68 0.23 0.00 0.00 176.35 177.65 1wgk s VAL 76 N 1.68 4.97 -0.18 -1.59 -7.23 -1.26 -1.12 120.40 115.67 1wgk s VAL 76 Ca 0.05 -0.81 -0.09 0.00 -1.81 0.00 0.00 61.98 59.33 1wgk s VAL 76 Cb -0.17 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.06 1wgk s VAL 76 CO 0.09 -0.37 0.43 -0.76 -0.31 0.00 0.00 175.10 174.17 1wgk s LEU 77 N -4.14 -0.20 -0.27 1.32 1.43 0.36 -4.17 118.68 113.00 1wgk s LEU 77 Ca 0.38 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 1wgk s LEU 77 Cb -0.09 1.40 -0.05 0.00 0.03 0.00 0.00 46.19 47.48 1wgk s LEU 77 CO 0.32 -0.20 0.22 -0.63 0.23 0.00 0.00 176.35 176.29 1wgk s ILE 78 N 1.56 5.30 -1.39 -0.59 1.01 -0.27 -0.53 121.20 126.28 1wgk s ILE 78 Ca -0.09 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 1wgk s ILE 78 Cb -0.09 -3.56 0.14 0.00 0.01 0.00 0.00 42.46 38.97 1wgk s ILE 78 CO -0.13 0.26 0.52 0.59 0.00 0.00 0.00 174.94 176.17 1wgk n ASN 79 N 4.92 -2.51 -1.79 3.58 4.13 -0.48 0.63 115.26 123.73 1wgk n ASN 79 Ca -0.13 -0.70 -0.09 0.00 1.68 0.00 0.00 54.58 55.34 1wgk n ASN 79 Cb 0.52 -2.13 0.03 0.00 -1.54 0.00 0.00 39.78 36.66 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 -2.30 -3.33 -3.67 6.41 9.92 -1.26 -5.04 116.55 117.28 1wgk n ASP 80 Ca 0.06 -0.22 -0.10 0.00 -0.53 0.00 0.00 54.79 53.99 1wgk n ASP 80 Cb 0.49 -2.31 -0.11 0.00 -0.64 0.00 0.00 41.12 38.55 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 -3.13 -0.96 -0.33 2.24 0.00 0.20 -5.12 121.76 114.66 1wgk s ALA 81 Ca 0.18 1.34 -0.44 0.00 0.00 0.00 0.00 51.96 53.03 1wgk s ALA 81 Cb -0.08 -1.18 -0.20 0.00 0.00 0.00 0.00 23.12 21.67 1wgk s ALA 81 CO 0.29 -0.65 1.46 -0.25 0.00 0.00 0.00 175.76 176.61 1wgk n ASP 82 N 5.22 0.99 0.24 0.00 9.92 -1.26 -1.11 116.55 130.55 1wgk n ASP 82 Ca -0.10 1.17 0.11 0.00 -0.53 0.00 0.00 54.79 55.44 1wgk n ASP 82 Cb 0.50 -0.92 0.63 0.00 -0.64 0.00 0.00 41.12 40.69 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 4.63 0.00 0.00 1.24 5.08 -1.92 -2.04 115.95 122.94 1wgk h TRP 83 Ca -0.46 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.46 1wgk h TRP 83 Cb 1.38 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.53 1wgk h TRP 83 CO 0.64 0.17 -0.24 1.05 -1.28 0.00 0.00 178.44 178.78 1wgk h GLU 84 N 0.00 0.00 0.00 0.12 4.11 -1.89 0.14 114.58 117.05 1wgk h GLU 84 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1wgk h GLU 84 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1wgk h GLU 84 CO 0.02 0.24 -0.67 -0.07 0.07 0.00 0.00 179.01 178.60 1wgk h LEU 85 N 0.00 0.00 0.00 3.06 4.07 -1.72 -3.40 115.31 117.32 1wgk h LEU 85 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wgk h LEU 85 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1wgk h LEU 85 CO 0.03 0.67 -0.09 0.18 -1.08 0.00 0.00 178.44 178.16 1wgk n LEU 86 N -3.51 0.18 -2.83 1.67 4.77 -1.08 -5.03 117.00 111.16 1wgk n LEU 86 Ca -0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1wgk n LEU 86 Cb 0.72 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1wgk n LEU 86 CO 0.42 -0.48 0.36 -0.83 -1.33 0.00 0.00 177.39 175.54 1wgk s GLY 87 N -3.13 -1.55 0.15 -0.72 0.00 0.35 -4.77 107.32 97.66 1wgk s GLY 87 Ca -0.03 0.77 -0.15 0.00 0.00 0.00 0.00 44.72 45.31 1wgk s GLY 87 CO 0.04 4.12 1.10 1.18 0.00 0.00 0.00 173.10 179.54 1wgk n GLU 88 N 3.53 -0.21 0.00 2.90 1.02 -0.45 -0.69 120.64 126.75 1wgk n GLU 88 Ca 0.09 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 1wgk n GLU 88 Cb 0.62 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -5.00 0.00 0.26 -4.62 4.77 -1.26 -4.39 117.00 106.76 1wgk n LEU 89 Ca 0.06 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.19 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 0.95 -0.78 -1.33 0.00 0.00 177.39 176.12 1wgk h ASP 90 N 0.00 0.00 -2.96 -1.43 3.58 -1.92 -3.39 116.42 110.30 1wgk h ASP 90 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1wgk h ASP 90 Cb 0.64 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.71 1wgk h ASP 90 CO 0.00 0.06 0.77 -0.47 -2.88 0.00 0.00 179.24 176.72 1wgk s TYR 91 N -3.68 3.11 -0.34 0.28 6.14 0.13 -4.94 117.35 118.04 1wgk s TYR 91 Ca 0.01 0.88 -0.11 0.00 0.64 0.00 0.00 57.07 58.49 1wgk s TYR 91 Cb 0.09 -3.70 0.00 0.00 0.42 0.00 0.00 41.96 38.77 1wgk s TYR 91 CO 0.57 -2.51 0.20 -0.65 0.64 0.00 0.00 175.55 173.80 1wgk s GLN 92 N 1.45 3.21 0.29 4.97 -0.21 -1.26 -2.67 119.66 125.45 1wgk s GLN 92 Ca 0.65 -0.82 -0.29 0.00 0.02 0.00 0.00 55.36 54.92 1wgk s GLN 92 Cb -0.36 -3.70 -0.10 0.00 1.00 0.00 0.00 33.01 29.85 1wgk s GLN 92 CO 0.30 -0.52 1.30 -0.51 -2.12 0.00 0.00 175.29 173.73 1wgk s LEU 93 N 1.63 4.44 0.00 2.90 1.43 -0.59 -4.96 118.68 123.53 1wgk s LEU 93 Ca 0.04 2.59 0.04 0.00 -1.03 0.00 0.00 54.13 55.77 1wgk s LEU 93 Cb -0.18 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.45 1wgk s LEU 93 CO 0.08 -0.50 0.35 0.00 0.23 0.00 0.00 176.35 176.51 1wgk n GLN 94 N 1.31 0.89 -2.44 1.70 1.13 -1.26 -4.33 117.38 114.38 1wgk n GLN 94 Ca 0.02 -2.05 -0.38 0.00 -1.94 0.00 0.00 57.00 52.65 1wgk n GLN 94 Cb 0.42 0.07 -0.04 0.00 0.11 0.00 0.00 30.24 30.81 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 -3.09 6.86 -1.14 1.08 1.47 -1.26 -3.52 116.67 117.07 1wgk s ASP 95 Ca 0.27 2.21 -0.05 0.00 1.18 0.00 0.00 52.55 56.16 1wgk s ASP 95 Cb -0.02 -2.61 0.01 0.00 -0.34 0.00 0.00 42.92 39.96 1wgk s ASP 95 CO 0.17 -0.43 0.98 0.00 0.68 0.00 0.00 175.17 176.57 1wgk n GLN 96 N 0.40 -6.57 -2.83 2.11 3.00 -0.65 -4.91 117.38 107.94 1wgk n GLN 96 Ca 0.03 0.73 -0.20 0.00 -0.01 0.00 0.00 57.00 57.54 1wgk n GLN 96 Cb 0.47 -5.43 0.04 0.00 0.00 0.00 0.00 30.24 25.32 1wgk n GLN 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1wgk s ASP 97 N -3.56 5.26 -0.04 1.08 1.11 -1.10 -4.99 116.67 114.42 1wgk s ASP 97 Ca 0.35 -0.34 0.01 0.00 0.18 0.00 0.00 52.55 52.75 1wgk s ASP 97 Cb -0.15 -0.49 0.02 0.00 1.07 0.00 0.00 42.92 43.37 1wgk s ASP 97 CO 0.63 -1.13 -0.03 -0.44 1.18 0.00 0.00 175.17 175.38 1wgk s SER 98 N -4.48 0.85 0.05 0.27 0.01 -1.26 -2.00 113.70 107.13 1wgk s SER 98 Ca 0.58 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.81 1wgk s SER 98 Cb -0.09 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 1wgk s SER 98 CO 0.37 -0.08 -0.16 -0.63 0.41 0.00 0.00 173.24 173.15 1wgk s ILE 99 N 1.05 1.29 -0.03 1.44 -1.09 -0.73 -1.38 121.20 121.75 1wgk s ILE 99 Ca -0.09 -1.14 0.03 0.00 -2.23 0.00 0.00 60.65 57.22 1wgk s ILE 99 Cb -0.14 -1.17 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 1wgk s ILE 99 CO -0.01 0.01 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.37 1wgk s LEU 100 N -1.32 1.84 -0.22 2.97 2.96 0.31 -2.30 118.68 122.92 1wgk s LEU 100 Ca 0.03 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1wgk s LEU 100 Cb -0.09 -0.71 0.06 0.00 0.50 0.00 0.00 46.19 45.95 1wgk s LEU 100 CO 0.02 0.10 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.75 1wgk s PHE 101 N 0.13 2.00 0.06 5.38 0.40 -0.59 -0.49 117.98 124.88 1wgk s PHE 101 Ca -0.03 -1.47 0.04 0.00 -0.60 0.00 0.00 56.93 54.87 1wgk s PHE 101 Cb -0.10 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1wgk s PHE 101 CO 0.01 -0.72 -0.03 -1.50 0.70 0.00 0.00 175.22 173.68 1wgk s ILE 102 N 1.53 3.84 -0.23 0.64 2.07 -0.28 -2.82 121.20 125.96 1wgk s ILE 102 Ca -0.04 -0.94 -0.04 0.00 -1.41 0.00 0.00 60.65 58.22 1wgk s ILE 102 Cb -0.18 -2.78 -0.01 0.00 0.13 0.00 0.00 42.46 39.63 1wgk s ILE 102 CO -0.07 0.21 -0.02 -0.55 -1.91 0.00 0.00 174.94 172.60 1wgk s SER 103 N -1.99 4.44 -0.21 4.50 0.15 -1.12 -0.76 113.70 118.71 1wgk s SER 103 Ca 0.22 -0.41 0.11 0.00 0.70 0.00 0.00 55.95 56.58 1wgk s SER 103 Cb -0.11 -1.76 0.42 0.00 -1.71 0.00 0.00 66.02 62.85 1wgk s SER 103 CO 0.14 -0.04 1.22 1.07 1.20 0.00 0.00 173.24 176.83 1wgk n THR 104 N 4.81 2.20 -4.59 6.45 5.66 -1.22 -4.81 114.28 122.79 1wgk n THR 104 Ca -0.18 -3.24 -0.24 0.00 -3.05 0.00 0.00 64.05 57.34 1wgk n THR 104 Cb 0.51 -0.23 -0.14 0.00 -1.55 0.00 0.00 70.33 68.91 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 -3.22 2.15 0.40 1.09 2.96 -1.26 -5.00 118.68 115.79 1wgk s LEU 105 Ca 0.38 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1wgk s LEU 105 Cb 0.37 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 1wgk s LEU 105 CO -0.07 0.13 0.04 -1.00 -1.32 0.00 0.00 176.35 174.13 1wgk s HIS 106 N -0.76 2.12 0.00 5.38 3.76 -1.26 -5.01 115.29 119.52 1wgk s HIS 106 Ca 0.06 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.07 1wgk s HIS 106 Cb -0.08 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.10 1wgk s HIS 106 CO 0.01 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1wgk n GLY 107 N -0.94 -0.63 0.00 -2.22 0.00 -1.26 -5.12 105.19 95.02 1wgk n GLY 107 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.27 0.41 0.14 -0.02 0.00 -1.26 -4.92 105.19 99.81 1wgk n GLY 108 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1wgk n GLY 108 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wgk h SER 109 N 0.00 -0.27 -5.00 1.61 0.02 -2.01 -3.49 113.55 104.40 1wgk h SER 109 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wgk h SER 109 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1wgk h SER 109 CO 0.00 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 1wgk n GLY 110 N -1.22 3.10 0.00 -3.77 0.00 -1.26 -4.80 105.19 97.24 1wgk n GLY 110 Ca -0.06 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.30 0.38 -2.02 1.61 -0.04 -1.26 -4.78 135.00 128.59 1wgk n PRO 111 Ca 0.00 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1wgk n PRO 111 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1wgk n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgk s SER 112 N -2.22 6.67 -0.39 3.54 0.15 -1.26 -4.85 113.70 115.33 1wgk s SER 112 Ca 0.20 2.46 -0.29 0.00 0.70 0.00 0.00 55.95 59.02 1wgk s SER 112 Cb 0.10 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1wgk s SER 112 CO 0.20 -0.79 1.46 -0.44 1.20 0.00 0.00 173.24 174.87 1wgk s SER 113 N 1.60 6.29 0.00 5.45 0.01 -1.26 -5.16 113.70 120.62 1wgk s SER 113 Ca 0.69 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1wgk s SER 113 Cb -0.40 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.30 1wgk s SER 113 CO 0.31 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 173.11