#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 6.85 -0.51 1.61 1.04 -1.26 -4.99 113.70 116.44 1wgk s SER 2 Ca 0.00 1.02 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 1wgk s SER 2 Cb 0.00 -2.27 0.30 0.00 0.10 0.00 0.00 66.02 64.15 1wgk s SER 2 CO 0.00 0.27 2.11 -1.20 0.98 0.00 0.00 173.24 175.40 1wgk n SER 3 N 1.58 7.05 -4.28 7.02 7.64 -1.26 -4.92 113.62 126.45 1wgk n SER 3 Ca -0.12 -3.43 -0.15 0.00 1.01 0.00 0.00 58.87 56.18 1wgk n SER 3 Cb 0.52 -1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 1wgk n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgk s GLY 4 N -0.70 1.37 -0.29 0.23 0.00 -1.26 -5.14 107.32 101.53 1wgk s GLY 4 Ca 0.49 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 1wgk s GLY 4 CO -0.06 -1.60 0.56 -0.45 0.00 0.00 0.00 173.10 171.55 1wgk s SER 5 N -3.23 -1.08 -0.03 1.64 0.15 -1.26 -5.16 113.70 104.73 1wgk s SER 5 Ca 0.26 0.77 0.01 0.00 0.70 0.00 0.00 55.95 57.69 1wgk s SER 5 Cb 0.06 1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 66.31 1wgk s SER 5 CO 0.06 -0.27 -0.03 -0.55 1.20 0.00 0.00 173.24 173.65 1wgk s SER 6 N 2.80 4.92 0.00 5.45 0.15 -1.26 -5.01 113.70 120.74 1wgk s SER 6 Ca 0.19 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1wgk s SER 6 Cb -0.15 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1wgk s SER 6 CO -0.20 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wgk n GLY 7 N 1.74 -0.45 2.38 9.45 0.00 -1.26 -4.99 105.19 112.06 1wgk n GLY 7 Ca -0.16 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 1wgk n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wgk n MET 8 N 0.00 -2.09 -0.93 1.61 0.00 -1.26 -4.89 117.12 109.56 1wgk n MET 8 Ca 0.00 0.63 -0.33 0.00 -0.00 0.00 0.00 57.70 58.00 1wgk n MET 8 Cb 0.00 -5.19 0.12 0.00 0.00 0.00 0.00 33.22 28.15 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk n ALA 9 N -1.88 -1.59 -2.81 -5.12 0.00 -1.26 -4.93 120.51 102.92 1wgk n ALA 9 Ca -0.15 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.59 1wgk n ALA 9 Cb 0.59 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.28 3.82 0.01 0.00 0.00 -1.26 -4.05 121.76 118.00 1wgk s ALA 10 Ca 0.63 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 1wgk s ALA 10 Cb -0.26 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.87 1wgk s ALA 10 CO 0.61 0.17 1.44 -1.25 0.00 0.00 0.00 175.76 176.73 1wgk s PRO 11 N -3.99 4.27 0.15 0.00 0.04 -1.26 -4.26 135.00 129.95 1wgk s PRO 11 Ca 0.37 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 1wgk s PRO 11 Cb -0.10 -3.58 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1wgk s PRO 11 CO 0.32 -0.61 0.39 -0.48 0.04 0.00 0.00 177.00 176.66 1wgk s LEU 12 N 2.47 4.26 -0.04 -3.56 2.34 0.05 -4.82 118.68 119.37 1wgk s LEU 12 Ca 0.65 0.61 0.05 0.00 0.06 0.00 0.00 54.13 55.51 1wgk s LEU 12 Cb -0.33 -3.34 -0.02 0.00 -0.56 0.00 0.00 46.19 41.94 1wgk s LEU 12 CO 0.27 0.04 -0.19 0.00 -1.06 0.00 0.00 176.35 175.41 1wgk s VAL 14 N -0.62 0.56 -0.34 0.00 -7.23 0.09 -2.02 120.40 110.85 1wgk s VAL 14 Ca 0.09 -1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.06 1wgk s VAL 14 Cb -0.11 -0.63 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 1wgk s VAL 14 CO 0.00 -0.37 0.22 -0.54 -0.31 0.00 0.00 175.10 174.11 1wgk s LYS 15 N -1.58 3.34 -0.14 4.82 1.02 -0.74 -0.98 119.74 125.48 1wgk s LYS 15 Ca -0.10 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.08 1wgk s LYS 15 Cb -0.10 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1wgk s LYS 15 CO 0.00 -0.50 0.12 0.08 -0.92 0.00 0.00 175.35 174.14 1wgk s VAL 16 N 1.68 5.37 -0.08 3.17 1.01 -0.45 -1.40 120.40 129.70 1wgk s VAL 16 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1wgk s VAL 16 Cb -0.18 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1wgk s VAL 16 CO 0.09 0.57 -0.06 -0.70 0.00 0.00 0.00 175.10 175.00 1wgk s GLU 17 N -0.63 1.25 -0.10 2.72 2.12 -0.71 -0.26 118.70 123.09 1wgk s GLU 17 Ca 0.13 -0.18 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 1wgk s GLU 17 Cb -0.12 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 1wgk s GLU 17 CO 0.02 -0.19 0.04 -0.06 -0.54 0.00 0.00 175.26 174.54 1wgk s PHE 18 N 1.42 3.28 -0.02 5.30 0.08 -1.16 -1.21 117.98 125.68 1wgk s PHE 18 Ca -0.02 0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.32 1wgk s PHE 18 Cb -0.13 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1wgk s PHE 18 CO -0.04 0.52 -0.05 0.20 -0.10 0.00 0.00 175.22 175.75 1wgk s GLY 19 N -0.86 0.37 0.00 4.36 0.00 -1.01 -4.49 107.32 105.69 1wgk s GLY 19 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1wgk s GLY 19 CO 0.03 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.81 1wgk n GLY 20 N 3.42 1.45 3.15 0.20 0.00 -1.26 -2.60 105.19 109.54 1wgk n GLY 20 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.34 2.89 0.35 -0.02 0.00 -1.26 -4.75 105.19 102.07 1wgk n GLY 21 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 1.62 -0.38 4.61 0.00 -1.89 0.14 119.26 123.35 1wgk h ALA 22 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wgk h ALA 22 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wgk h ALA 22 CO 0.00 -0.49 0.21 1.05 0.00 0.00 0.00 179.25 180.03 1wgk h GLU 23 N 0.00 0.52 -0.86 0.00 4.11 -1.84 -2.04 114.58 114.47 1wgk h GLU 23 Ca 0.06 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.49 1wgk h GLU 23 Cb 0.90 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1wgk h GLU 23 CO -0.00 0.38 0.57 -0.07 0.07 0.00 0.00 179.01 179.96 1wgk h LEU 24 N 0.53 0.90 0.00 3.06 3.38 -1.03 0.11 115.31 122.25 1wgk h LEU 24 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wgk h LEU 24 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1wgk h LEU 24 CO -0.02 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.29 1wgk n LEU 25 N -4.46 0.00 -3.66 1.67 4.77 -0.77 -3.09 117.00 111.46 1wgk n LEU 25 Ca 0.12 0.37 -0.29 0.00 -0.03 0.00 0.00 56.01 56.18 1wgk n LEU 25 Cb 0.14 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 1wgk n LEU 25 CO 0.34 -0.29 -0.23 -0.36 -1.33 0.00 0.00 177.39 175.52 1wgk s PHE 26 N -2.74 1.96 0.00 -1.77 0.40 0.30 -3.99 117.98 112.15 1wgk s PHE 26 Ca 0.05 -2.49 0.00 0.00 -0.60 0.00 0.00 56.93 53.89 1wgk s PHE 26 Cb 0.04 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1wgk s PHE 26 CO 0.10 -0.76 0.00 -3.47 0.70 0.00 0.00 175.22 171.80 1wgk n ASP 27 N 3.18 -0.61 -3.72 1.36 -0.08 -1.25 -1.83 116.55 113.60 1wgk n ASP 27 Ca 0.15 0.30 -0.23 0.00 -1.51 0.00 0.00 54.79 53.50 1wgk n ASP 27 Cb 0.38 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wgk n GLY 28 N -0.30 -1.27 2.99 0.27 0.00 -0.80 -4.99 105.19 101.09 1wgk n GLY 28 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.04 0.09 -0.04 1.61 1.01 -0.76 -4.89 120.40 114.38 1wgk s VAL 29 Ca 0.04 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1wgk s VAL 29 Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1wgk s VAL 29 CO 0.88 -0.41 0.35 0.11 0.00 0.00 0.00 175.10 176.03 1wgk h LYS 30 N 4.79 -0.23 -5.18 2.72 6.56 -1.90 -3.43 116.57 119.90 1wgk h LYS 30 Ca -0.31 0.02 -0.63 0.00 -1.06 0.00 0.00 60.65 58.67 1wgk h LYS 30 Cb 1.21 0.05 -0.18 0.00 -0.57 0.00 0.00 32.23 32.74 1wgk h LYS 30 CO 0.42 -0.15 -0.59 0.15 -2.06 0.00 0.00 179.45 177.22 1wgk s LYS 31 N -2.31 3.86 -0.18 3.15 1.02 -1.26 -2.97 119.74 121.05 1wgk s LYS 31 Ca -0.03 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1wgk s LYS 31 Cb 0.00 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1wgk s LYS 31 CO 0.10 0.13 -0.18 -1.01 -0.92 0.00 0.00 175.35 173.47 1wgk s HIS 32 N 0.76 2.78 -0.19 3.18 3.76 0.64 -4.97 115.29 121.25 1wgk s HIS 32 Ca 0.03 -1.50 -0.26 0.00 -0.15 0.00 0.00 55.06 53.18 1wgk s HIS 32 Cb -0.13 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 1wgk s HIS 32 CO 0.02 -0.74 0.89 1.14 -0.85 0.00 0.00 174.74 175.20 1wgk s GLN 33 N 1.22 4.28 0.11 1.40 -2.07 -1.26 -1.34 119.66 122.00 1wgk s GLN 33 Ca 0.03 1.10 0.09 0.00 -1.82 0.00 0.00 55.36 54.76 1wgk s GLN 33 Cb -0.14 -3.60 -0.04 0.00 -1.09 0.00 0.00 33.01 28.15 1wgk s GLN 33 CO -0.10 -0.42 -0.18 0.08 -1.32 0.00 0.00 175.29 173.35 1wgk s VAL 34 N 2.47 2.83 -0.36 3.63 1.01 -0.15 -4.99 120.40 124.84 1wgk s VAL 34 Ca 0.40 -1.48 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 1wgk s VAL 34 Cb -0.16 -2.29 0.12 0.00 0.00 0.00 0.00 36.38 34.05 1wgk s VAL 34 CO 0.11 0.12 0.18 0.00 0.00 0.00 0.00 175.10 175.51 1wgk s ALA 35 N -1.12 1.40 0.49 5.51 0.00 -1.26 -0.73 121.76 126.05 1wgk s ALA 35 Ca 0.18 -1.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.00 1wgk s ALA 35 Cb -0.11 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 1wgk s ALA 35 CO 0.10 -1.92 1.12 -0.51 0.00 0.00 0.00 175.76 174.55 1wgk s LEU 36 N 1.14 3.88 0.00 0.00 1.43 0.46 -4.84 118.68 120.75 1wgk s LEU 36 Ca 0.15 2.18 -0.13 0.00 -1.03 0.00 0.00 54.13 55.29 1wgk s LEU 36 Cb -0.21 -4.43 0.19 0.00 0.03 0.00 0.00 46.19 41.77 1wgk s LEU 36 CO -0.11 -1.00 0.68 -0.81 0.23 0.00 0.00 176.35 175.34 1wgk n PRO 37 N -0.87 -2.35 -4.91 1.29 -0.04 -1.26 -0.77 135.00 126.09 1wgk n PRO 37 Ca 0.09 -1.09 -0.33 0.00 -0.04 0.00 0.00 63.50 62.14 1wgk n PRO 37 Cb 0.50 -1.02 -0.15 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 -3.72 1.48 0.34 0.55 0.00 -1.26 -4.07 107.32 100.65 1wgk s GLY 38 Ca 0.44 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 1wgk s GLY 38 CO 0.34 -0.33 0.59 -0.86 0.00 0.00 0.00 173.10 172.84 1wgk s GLN 39 N 0.16 1.97 0.24 2.90 -2.07 -1.26 -4.68 119.66 116.93 1wgk s GLN 39 Ca -0.09 -1.57 -0.03 0.00 -1.82 0.00 0.00 55.36 51.85 1wgk s GLN 39 Cb -0.15 0.51 0.28 0.00 -1.09 0.00 0.00 33.01 32.56 1wgk s GLN 39 CO 0.05 -0.86 1.75 0.93 -1.32 0.00 0.00 175.29 175.84 1wgk h GLU 40 N 2.09 0.87 -5.66 9.60 5.08 -1.94 -3.37 114.58 121.26 1wgk h GLU 40 Ca -0.29 -0.23 -0.60 0.00 -1.00 0.00 0.00 59.36 57.24 1wgk h GLU 40 Cb 1.24 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1wgk h GLU 40 CO 0.38 0.85 -0.29 -1.21 -1.00 0.00 0.00 179.01 177.74 1wgk s GLU 41 N -5.05 4.09 0.39 2.33 0.41 -1.26 -4.94 118.70 114.67 1wgk s GLU 41 Ca -0.10 0.18 -0.26 0.00 -0.41 0.00 0.00 54.97 54.39 1wgk s GLU 41 Cb 0.15 -3.35 -0.09 0.00 -1.78 0.00 0.00 34.13 29.06 1wgk s GLU 41 CO 0.82 0.40 1.20 -1.25 -0.49 0.00 0.00 175.26 175.93 1wgk s PRO 42 N -0.05 4.10 -0.38 0.39 0.04 -1.26 -4.93 135.00 132.91 1wgk s PRO 42 Ca 0.19 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 1wgk s PRO 42 Cb -0.14 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1wgk s PRO 42 CO 0.07 -0.30 1.95 -1.58 0.04 0.00 0.00 177.00 177.18 1wgk s TRP 43 N -1.35 1.58 0.23 0.56 0.52 -1.26 -4.90 118.94 114.32 1wgk s TRP 43 Ca 0.56 0.74 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1wgk s TRP 43 Cb -0.33 -4.02 -0.04 0.00 -1.15 0.00 0.00 33.47 27.93 1wgk s TRP 43 CO 0.41 -3.00 0.40 0.16 0.02 0.00 0.00 176.95 174.95 1wgk s ASP 44 N 7.51 6.36 0.26 2.95 1.47 -1.26 -1.46 116.67 132.48 1wgk s ASP 44 Ca 0.83 0.34 -0.08 0.00 1.18 0.00 0.00 52.55 54.82 1wgk s ASP 44 Cb -0.22 -1.98 0.43 0.00 -0.34 0.00 0.00 42.92 40.81 1wgk s ASP 44 CO 0.31 -0.08 1.60 0.40 0.68 0.00 0.00 175.17 178.07 1wgk h ILE 45 N 1.35 0.19 -0.46 2.11 1.08 -1.70 0.21 117.51 120.28 1wgk h ILE 45 Ca -0.49 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1wgk h ILE 45 Cb 1.20 0.16 -0.08 0.00 -3.07 0.00 0.00 36.82 35.03 1wgk h ILE 45 CO 0.66 0.00 -0.55 -0.09 -0.69 0.00 0.00 178.15 177.48 1wgk h ARG 46 N 0.03 -0.34 -0.18 2.37 1.12 -1.80 -1.01 114.38 114.57 1wgk h ARG 46 Ca 0.43 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.31 1wgk h ARG 46 Cb 0.73 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.75 1wgk h ARG 46 CO -0.82 -0.22 0.05 -0.91 -3.11 0.00 0.00 179.97 174.95 1wgk h ASN 47 N -0.35 0.27 -0.97 -3.80 2.35 -1.45 -3.14 115.58 108.49 1wgk h ASN 47 Ca 0.08 -0.22 0.15 0.00 -0.55 0.00 0.00 56.30 55.76 1wgk h ASN 47 Cb 0.56 -0.07 -0.16 0.00 0.05 0.00 0.00 38.32 38.70 1wgk h ASN 47 CO -0.62 0.42 -0.38 0.25 -1.65 0.00 0.00 177.43 175.45 1wgk h LEU 48 N 0.11 -1.39 0.00 1.61 5.85 0.14 -1.82 115.31 119.81 1wgk h LEU 48 Ca 0.06 0.31 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1wgk h LEU 48 Cb 0.25 0.74 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1wgk h LEU 48 CO -0.00 -0.29 0.00 0.18 -0.34 0.00 0.00 178.44 177.99 1wgk n LEU 49 N -5.48 0.00 -0.22 2.25 7.99 -0.46 -0.56 117.00 120.52 1wgk n LEU 49 Ca 0.10 0.98 0.22 0.00 -0.01 0.00 0.00 56.01 57.30 1wgk n LEU 49 Cb 0.40 -0.48 0.41 0.00 -0.11 0.00 0.00 43.42 43.64 1wgk n LEU 49 CO -0.13 -0.48 0.74 0.52 -1.51 0.00 0.00 177.39 176.53 1wgk n VAL 50 N -2.71 -0.29 0.27 4.08 0.31 -0.70 0.26 118.33 119.54 1wgk n VAL 50 Ca 0.00 1.42 -0.11 0.00 -0.01 0.00 0.00 64.34 65.64 1wgk n VAL 50 Cb 0.00 -2.30 -0.05 0.00 -0.91 0.00 0.00 33.84 30.57 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 -0.67 -0.12 3.52 7.01 -0.62 -2.79 115.95 122.29 1wgk h TRP 51 Ca 0.59 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.61 1wgk h TRP 51 Cb 1.56 0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 28.83 1wgk h TRP 51 CO -0.02 -0.42 0.18 0.82 -2.79 0.00 0.00 178.44 176.21 1wgk h ILE 52 N -1.08 0.33 0.00 2.65 2.04 0.11 0.76 117.51 122.32 1wgk h ILE 52 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wgk h ILE 52 Cb 0.55 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1wgk h ILE 52 CO 0.12 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.56 1wgk n LYS 53 N -3.56 0.25 0.00 2.37 5.02 0.14 -0.16 118.16 122.21 1wgk n LYS 53 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1wgk n LYS 53 Cb 0.28 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.26 0.00 -0.10 1.97 5.02 0.13 -4.51 118.16 118.41 1wgk n LYS 54 Ca 0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.27 1wgk n LYS 54 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.35 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 -0.98 0.11 4.39 2.35 0.05 -3.25 115.58 118.25 1wgk h ASN 55 Ca 0.00 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1wgk h ASN 55 Cb 0.00 0.41 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1wgk h ASN 55 CO 0.00 -0.18 -0.05 0.25 -1.65 0.00 0.00 177.43 175.80 1wgk h LEU 56 N -0.15 -0.12 -9.45 1.61 5.85 -1.65 -3.43 115.31 107.96 1wgk h LEU 56 Ca 0.05 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.24 1wgk h LEU 56 Cb 0.28 0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.36 1wgk h LEU 56 CO -0.34 -0.04 0.99 -0.22 -0.34 0.00 0.00 178.44 178.49 1wgk s LEU 57 N -5.03 4.36 -0.01 2.25 2.96 0.77 -4.74 118.68 119.23 1wgk s LEU 57 Ca -0.02 2.49 0.12 0.00 -0.22 0.00 0.00 54.13 56.49 1wgk s LEU 57 Cb 0.00 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.95 1wgk s LEU 57 CO 0.06 -0.88 0.29 0.29 -1.32 0.00 0.00 176.35 174.79 1wgk n LYS 58 N 5.56 0.68 -1.13 1.98 4.76 -1.26 -3.74 118.16 125.01 1wgk n LYS 58 Ca 0.16 -0.10 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 1wgk n LYS 58 Cb 0.40 -1.26 0.11 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.84 -0.59 -1.68 1.97 -0.58 -1.26 -4.94 120.64 111.71 1wgk n GLU 59 Ca -0.02 -1.18 -0.47 0.00 -0.42 0.00 0.00 57.16 55.07 1wgk n GLU 59 Cb 0.30 -0.70 -0.04 0.00 -0.57 0.00 0.00 31.44 30.42 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 -2.48 2.29 0.28 3.49 5.12 -1.26 -4.85 116.66 119.25 1wgk n ARG 60 Ca 0.09 0.84 0.17 0.00 -1.93 0.00 0.00 57.85 57.02 1wgk n ARG 60 Cb 0.32 -2.70 0.70 0.00 -1.16 0.00 0.00 32.46 29.61 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 9.42 0.00 -0.99 5.56 0.13 -1.89 -2.99 132.00 141.25 1wgk h PRO 61 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1wgk h PRO 61 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1wgk h PRO 61 CO 0.95 0.01 0.12 -0.85 -0.23 0.00 0.00 178.00 178.00 1wgk n GLU 62 N -3.11 1.34 0.00 0.86 0.28 -1.26 -3.00 120.64 115.75 1wgk n GLU 62 Ca 0.00 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 1wgk n GLU 62 Cb 0.30 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1wgk n GLU 62 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wgk n LEU 63 N 0.15 0.43 -0.07 -1.84 4.32 -1.13 -4.93 117.00 113.94 1wgk n LEU 63 Ca 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.04 1wgk n LEU 63 Cb 0.71 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.49 1wgk n LEU 63 CO 0.12 0.07 -0.51 0.33 -1.22 0.00 0.00 177.39 176.19 1wgk n PHE 64 N -1.61 0.02 -4.42 -1.77 7.35 -1.22 -5.04 117.46 110.77 1wgk n PHE 64 Ca 0.00 0.01 -0.21 0.00 -0.76 0.00 0.00 57.45 56.49 1wgk n PHE 64 Cb 0.32 -0.38 -0.14 0.00 0.35 0.00 0.00 39.48 39.63 1wgk n PHE 64 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1wgk s ILE 65 N -2.43 1.16 -0.37 -2.13 1.01 -1.16 -4.36 121.20 112.92 1wgk s ILE 65 Ca -0.22 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.48 1wgk s ILE 65 Cb 0.03 -1.04 0.10 0.00 0.01 0.00 0.00 42.46 41.57 1wgk s ILE 65 CO 0.32 0.06 0.12 -1.58 0.00 0.00 0.00 174.94 173.86 1wgk s GLN 66 N -1.03 1.75 0.00 2.79 0.74 -1.25 -4.28 119.66 118.37 1wgk s GLN 66 Ca 0.03 -1.83 0.00 0.00 0.05 0.00 0.00 55.36 53.60 1wgk s GLN 66 Cb -0.08 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1wgk s GLN 66 CO 0.01 -0.99 0.00 0.41 -0.55 0.00 0.00 175.29 174.17 1wgk n GLY 67 N 4.42 0.18 0.23 2.59 0.00 -1.26 -4.38 105.19 106.97 1wgk n GLY 67 Ca 0.01 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.71 1.61 5.19 -1.96 -3.41 116.42 115.14 1wgk h ASP 68 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1wgk h ASP 68 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 1wgk h ASP 68 CO 0.00 0.00 -0.54 -0.44 -3.12 0.00 0.00 179.24 175.14 1wgk s SER 69 N -4.18 5.75 0.27 6.45 0.01 -1.26 -4.57 113.70 116.18 1wgk s SER 69 Ca -0.03 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 1wgk s SER 69 Cb 0.07 -1.58 -0.09 0.00 0.21 0.00 0.00 66.02 64.63 1wgk s SER 69 CO 0.23 0.08 1.09 0.68 0.41 0.00 0.00 173.24 175.73 1wgk s VAL 70 N -1.71 3.53 0.99 3.43 -7.23 -1.26 -3.84 120.40 114.31 1wgk s VAL 70 Ca 0.32 1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 61.86 1wgk s VAL 70 Cb -0.11 -3.97 -0.01 0.00 0.56 0.00 0.00 36.38 32.86 1wgk s VAL 70 CO 0.25 0.36 -0.07 0.54 -0.31 0.00 0.00 175.10 175.86 1wgk n ARG 71 N 1.31 -0.44 0.00 4.82 1.74 -1.26 -4.78 116.66 118.05 1wgk n ARG 71 Ca -0.01 -0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.02 1wgk n ARG 71 Cb 0.45 -1.58 0.30 0.00 -1.02 0.00 0.00 32.46 30.60 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 -0.55 0.49 -0.02 5.56 -0.04 -1.26 -2.69 135.00 136.49 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 32.68 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 -0.17 3.63 0.55 0.00 -1.26 -4.97 105.19 102.94 1wgk n GLY 73 Ca 0.07 -0.06 -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 -2.08 4.17 -0.35 -0.61 -1.09 -1.10 -2.52 121.20 117.61 1wgk s ILE 74 Ca -0.02 1.30 -0.14 0.00 -2.23 0.00 0.00 60.65 59.56 1wgk s ILE 74 Cb 0.01 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1wgk s ILE 74 CO 0.14 -0.53 0.31 -0.76 -1.23 0.00 0.00 174.94 172.87 1wgk s LEU 75 N 4.39 4.57 0.36 2.97 1.43 0.49 -4.66 118.68 128.24 1wgk s LEU 75 Ca 0.55 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1wgk s LEU 75 Cb -0.15 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1wgk s LEU 75 CO 0.24 -0.32 0.57 0.68 0.23 0.00 0.00 176.35 177.74 1wgk s VAL 76 N 1.87 4.95 -0.18 -1.59 -7.23 -1.26 -1.21 120.40 115.75 1wgk s VAL 76 Ca 0.09 -0.45 -0.08 0.00 -1.81 0.00 0.00 61.98 59.73 1wgk s VAL 76 Cb -0.17 -3.81 0.08 0.00 0.56 0.00 0.00 36.38 33.03 1wgk s VAL 76 CO 0.11 -0.54 0.41 -0.76 -0.31 0.00 0.00 175.10 174.01 1wgk s LEU 77 N -4.36 -0.40 -0.29 1.32 1.43 -0.04 -4.13 118.68 112.21 1wgk s LEU 77 Ca 0.41 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.29 1wgk s LEU 77 Cb -0.10 1.32 -0.03 0.00 0.03 0.00 0.00 46.19 47.42 1wgk s LEU 77 CO 0.37 -0.22 0.42 -0.63 0.23 0.00 0.00 176.35 176.52 1wgk s ILE 78 N 2.10 5.13 -1.56 -0.59 1.01 -0.31 -0.39 121.20 126.59 1wgk s ILE 78 Ca -0.05 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 1wgk s ILE 78 Cb -0.10 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.65 1wgk s ILE 78 CO -0.13 0.06 0.47 0.59 0.00 0.00 0.00 174.94 175.93 1wgk n ASN 79 N 5.44 -1.12 -3.24 3.58 4.13 -0.39 -0.39 115.26 123.28 1wgk n ASN 79 Ca -0.07 -1.07 -0.18 0.00 1.68 0.00 0.00 54.58 54.93 1wgk n ASN 79 Cb 0.50 -2.60 0.08 0.00 -1.54 0.00 0.00 39.78 36.22 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 -2.83 -3.77 -3.67 6.41 8.00 -1.26 -5.01 116.55 114.41 1wgk n ASP 80 Ca -0.17 -0.53 -0.09 0.00 0.71 0.00 0.00 54.79 54.72 1wgk n ASP 80 Cb 0.61 -4.64 -0.10 0.00 -0.02 0.00 0.00 41.12 36.98 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgk s ALA 81 N -3.31 -1.18 -0.36 2.24 0.00 0.47 -5.12 121.76 114.52 1wgk s ALA 81 Ca 0.23 1.57 -0.44 0.00 0.00 0.00 0.00 51.96 53.32 1wgk s ALA 81 Cb -0.10 -1.22 -0.19 0.00 0.00 0.00 0.00 23.12 21.60 1wgk s ALA 81 CO 0.66 -0.60 1.55 -0.25 0.00 0.00 0.00 175.76 177.12 1wgk n ASP 82 N 5.02 1.35 0.28 0.00 8.00 -1.26 -1.16 116.55 128.77 1wgk n ASP 82 Ca -0.13 1.16 0.16 0.00 0.71 0.00 0.00 54.79 56.68 1wgk n ASP 82 Cb 0.51 -0.96 0.77 0.00 -0.02 0.00 0.00 41.12 41.42 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 5.25 0.00 0.00 1.24 5.08 -1.91 -2.22 115.95 123.38 1wgk h TRP 83 Ca -0.46 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.44 1wgk h TRP 83 Cb 1.36 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.51 1wgk h TRP 83 CO 0.67 0.07 -0.37 0.93 -1.28 0.00 0.00 178.44 178.46 1wgk h GLU 84 N 0.00 0.00 -0.10 0.12 5.08 -1.89 0.18 114.58 117.97 1wgk h GLU 84 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1wgk h GLU 84 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wgk h GLU 84 CO 0.01 0.37 -0.78 -0.07 -1.00 0.00 0.00 179.01 177.54 1wgk h LEU 85 N 0.00 0.71 0.00 1.33 4.07 -1.76 -3.39 115.31 116.27 1wgk h LEU 85 Ca -0.00 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1wgk h LEU 85 Cb 0.78 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1wgk h LEU 85 CO 0.05 1.25 -0.12 -0.07 -1.08 0.00 0.00 178.44 178.47 1wgk h LEU 86 N 0.39 0.00 -5.10 1.67 3.38 -1.55 -3.49 115.31 110.61 1wgk h LEU 86 Ca -0.05 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.07 1wgk h LEU 86 Cb 1.39 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.97 1wgk h LEU 86 CO 0.15 0.23 -0.07 -0.83 0.09 0.00 0.00 178.44 178.01 1wgk s GLY 87 N -2.92 -1.60 0.12 0.83 0.00 0.51 -4.73 107.32 99.53 1wgk s GLY 87 Ca -0.03 1.40 -0.21 0.00 0.00 0.00 0.00 44.72 45.88 1wgk s GLY 87 CO 0.05 4.39 1.09 1.18 0.00 0.00 0.00 173.10 179.82 1wgk n GLU 88 N 3.56 -0.29 0.00 2.90 1.02 -0.44 -1.05 120.64 126.34 1wgk n GLU 88 Ca 0.05 1.07 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 1wgk n GLU 88 Cb 0.64 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 -4.90 0.00 0.23 -4.62 4.77 -1.26 -4.53 117.00 106.69 1wgk n LEU 89 Ca 0.02 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1wgk n LEU 89 Cb 0.20 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.66 1wgk n LEU 89 CO -0.11 0.00 0.84 -0.78 -1.33 0.00 0.00 177.39 176.01 1wgk h ASP 90 N 0.00 0.00 -3.92 -1.43 1.82 -1.92 -3.37 116.42 107.61 1wgk h ASP 90 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 1wgk h ASP 90 Cb 0.00 0.00 0.06 0.00 0.68 0.00 0.00 39.33 40.07 1wgk h ASP 90 CO 0.00 0.09 0.55 -0.47 -1.61 0.00 0.00 179.24 177.80 1wgk s TYR 91 N -3.41 3.04 -0.31 0.28 5.04 -0.21 -4.95 117.35 116.83 1wgk s TYR 91 Ca 0.04 1.51 -0.00 0.00 -2.44 0.00 0.00 57.07 56.17 1wgk s TYR 91 Cb 0.07 -3.50 0.07 0.00 0.35 0.00 0.00 41.96 38.95 1wgk s TYR 91 CO 0.63 -1.53 0.01 -0.65 -1.34 0.00 0.00 175.55 172.67 1wgk s GLN 92 N -2.14 2.23 0.27 4.97 -0.21 -1.26 -2.75 119.66 120.76 1wgk s GLN 92 Ca 0.55 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 1wgk s GLN 92 Cb -0.34 -3.18 -0.13 0.00 1.00 0.00 0.00 33.01 30.36 1wgk s GLN 92 CO 0.44 -0.71 1.37 1.28 -2.12 0.00 0.00 175.29 175.55 1wgk n LEU 93 N 4.54 3.21 -5.02 2.90 4.77 -0.54 -4.96 117.00 121.91 1wgk n LEU 93 Ca -0.10 1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 56.83 1wgk n LEU 93 Cb 0.43 -1.44 0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1wgk n LEU 93 CO 0.26 -0.50 0.32 -1.10 -1.33 0.00 0.00 177.39 175.04 1wgk s GLN 94 N -0.81 2.25 0.25 3.23 -1.52 -1.26 -4.47 119.66 117.32 1wgk s GLN 94 Ca 0.65 -1.75 -0.30 0.00 -1.95 0.00 0.00 55.36 52.01 1wgk s GLN 94 Cb -0.63 -2.54 -0.09 0.00 -0.22 0.00 0.00 33.01 29.53 1wgk s GLN 94 CO 0.53 -0.88 1.20 0.16 -0.25 0.00 0.00 175.29 176.04 1wgk s ASP 95 N -4.64 7.07 -1.03 5.90 1.47 -1.26 -3.59 116.67 120.60 1wgk s ASP 95 Ca 0.58 2.36 -0.02 0.00 1.18 0.00 0.00 52.55 56.65 1wgk s ASP 95 Cb -0.05 -2.62 -0.02 0.00 -0.34 0.00 0.00 42.92 39.89 1wgk s ASP 95 CO 0.36 -0.34 0.87 0.00 0.68 0.00 0.00 175.17 176.75 1wgk n GLN 96 N 1.67 -4.74 -3.70 2.11 1.13 -0.86 -4.98 117.38 108.02 1wgk n GLN 96 Ca 0.02 0.76 -0.22 0.00 -1.94 0.00 0.00 57.00 55.62 1wgk n GLN 96 Cb 0.44 -5.47 -0.03 0.00 0.11 0.00 0.00 30.24 25.29 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 -3.95 4.88 -0.07 1.08 1.11 -1.21 -5.02 116.67 113.48 1wgk s ASP 97 Ca 0.12 -0.88 0.01 0.00 0.18 0.00 0.00 52.55 51.98 1wgk s ASP 97 Cb -0.02 -0.38 0.02 0.00 1.07 0.00 0.00 42.92 43.61 1wgk s ASP 97 CO 0.65 -0.72 -0.09 -0.55 1.18 0.00 0.00 175.17 175.64 1wgk s SER 98 N -4.13 1.74 0.01 0.27 0.15 -1.26 -1.80 113.70 108.69 1wgk s SER 98 Ca 0.45 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.91 1wgk s SER 98 Cb -0.02 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.51 1wgk s SER 98 CO 0.26 -0.03 -0.24 -0.63 1.20 0.00 0.00 173.24 173.81 1wgk s ILE 99 N 1.01 1.90 0.00 6.45 -1.09 -0.49 -1.26 121.20 127.72 1wgk s ILE 99 Ca -0.08 -1.16 0.07 0.00 -2.23 0.00 0.00 60.65 57.25 1wgk s ILE 99 Cb -0.15 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.10 1wgk s ILE 99 CO -0.00 0.41 -0.23 -0.22 -1.23 0.00 0.00 174.94 173.67 1wgk s LEU 100 N -0.89 2.08 -0.21 2.97 2.96 0.48 -1.74 118.68 124.33 1wgk s LEU 100 Ca 0.10 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1wgk s LEU 100 Cb -0.09 -1.15 0.07 0.00 0.50 0.00 0.00 46.19 45.52 1wgk s LEU 100 CO 0.01 0.25 0.05 -0.36 -1.32 0.00 0.00 176.35 174.98 1wgk s PHE 101 N -0.62 0.92 0.09 5.38 0.40 -0.35 -0.86 117.98 122.95 1wgk s PHE 101 Ca 0.09 -0.86 0.05 0.00 -0.60 0.00 0.00 56.93 55.61 1wgk s PHE 101 Cb -0.09 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1wgk s PHE 101 CO 0.00 -0.63 -0.02 -1.50 0.70 0.00 0.00 175.22 173.76 1wgk s ILE 102 N 1.89 3.87 -0.24 0.64 2.07 -0.35 -2.41 121.20 126.68 1wgk s ILE 102 Ca 0.01 -1.03 -0.04 0.00 -1.41 0.00 0.00 60.65 58.17 1wgk s ILE 102 Cb -0.17 -2.83 -0.00 0.00 0.13 0.00 0.00 42.46 39.59 1wgk s ILE 102 CO -0.11 0.13 -0.02 -0.55 -1.91 0.00 0.00 174.94 172.47 1wgk s SER 103 N -2.25 4.45 -0.27 4.50 0.15 -1.07 -0.38 113.70 118.83 1wgk s SER 103 Ca 0.24 -0.50 0.10 0.00 0.70 0.00 0.00 55.95 56.50 1wgk s SER 103 Cb -0.12 -1.75 0.47 0.00 -1.71 0.00 0.00 66.02 62.91 1wgk s SER 103 CO 0.17 -0.06 1.18 0.35 1.20 0.00 0.00 173.24 176.08 1wgk n THR 104 N 4.79 2.24 -0.07 6.45 -2.24 -1.05 -4.77 114.28 119.64 1wgk n THR 104 Ca -0.17 -3.87 -0.15 0.00 -2.27 0.00 0.00 64.05 57.58 1wgk n THR 104 Cb 0.50 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 1wgk n THR 104 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1wgk n LEU 105 N -0.70 1.31 -3.91 3.22 7.94 -1.26 -4.93 117.00 118.67 1wgk n LEU 105 Ca 0.35 0.22 -0.11 0.00 -1.11 0.00 0.00 56.01 55.36 1wgk n LEU 105 Cb 0.92 -0.52 -0.13 0.00 0.53 0.00 0.00 43.42 44.22 1wgk n LEU 105 CO 0.31 0.15 -0.36 -2.28 -1.11 0.00 0.00 177.39 174.10 1wgk s HIS 106 N -2.37 0.09 0.00 1.96 2.46 -1.26 -5.09 115.29 111.07 1wgk s HIS 106 Ca -0.22 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1wgk s HIS 106 Cb 0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 1wgk s HIS 106 CO 0.29 -0.06 0.00 0.41 -2.47 0.00 0.00 174.74 172.91 1wgk n GLY 107 N 2.60 0.69 0.00 1.59 0.00 -1.26 -5.05 105.19 103.75 1wgk n GLY 107 Ca -0.16 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.34 3.60 -0.02 0.00 -1.26 -5.14 105.19 102.71 1wgk n GLY 108 Ca 0.00 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1wgk n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgk n SER 109 N 0.00 1.09 0.00 1.61 2.88 -1.26 -4.54 113.62 113.39 1wgk n SER 109 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1wgk n SER 109 Cb 0.00 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 1wgk n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgk n GLY 110 N 1.23 -0.70 0.00 0.46 0.00 -1.26 -4.98 105.19 99.93 1wgk n GLY 110 Ca 0.10 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.04 0.49 -3.62 1.61 -0.04 -1.26 -4.47 135.00 127.67 1wgk n PRO 111 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1wgk n PRO 111 Cb 0.00 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.98 1.36 -0.16 3.54 0.15 -1.26 -5.11 113.70 110.24 1wgk s SER 112 Ca 0.23 -0.07 -0.36 0.00 0.70 0.00 0.00 55.95 56.45 1wgk s SER 112 Cb 0.10 0.08 -0.17 0.00 -1.71 0.00 0.00 66.02 64.32 1wgk s SER 112 CO 0.17 -0.29 1.07 -1.54 1.20 0.00 0.00 173.24 173.85 1wgk n SER 113 N 5.31 0.38 0.00 5.45 3.41 -1.26 -5.02 113.62 121.89 1wgk n SER 113 Ca -0.05 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 1wgk n SER 113 Cb 0.50 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1wgk n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49