#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 7.23 -0.34 1.61 0.15 -1.26 -4.98 113.70 116.11 1wgk s SER 2 Ca 0.00 1.75 -0.29 0.00 0.70 0.00 0.00 55.95 58.11 1wgk s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1wgk s SER 2 CO 0.00 -0.39 1.40 -0.94 1.20 0.00 0.00 173.24 174.51 1wgk s SER 3 N 1.11 6.47 0.00 5.45 1.04 -1.26 -4.80 113.70 121.71 1wgk s SER 3 Ca 0.54 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1wgk s SER 3 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1wgk s SER 3 CO 0.26 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1wgk n GLY 4 N 4.71 -0.19 3.56 7.32 0.00 -1.26 -5.04 105.19 114.29 1wgk n GLY 4 Ca 0.16 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 5.73 -0.56 1.61 0.01 -1.26 -4.92 113.70 110.31 1wgk s SER 5 Ca 0.00 -0.73 -0.26 0.00 1.31 0.00 0.00 55.95 56.27 1wgk s SER 5 Cb 0.00 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1wgk s SER 5 CO 0.00 -2.17 2.25 -0.44 0.41 0.00 0.00 173.24 173.29 1wgk s SER 6 N 6.49 4.63 0.00 2.44 0.01 -1.26 -4.83 113.70 121.18 1wgk s SER 6 Ca 0.57 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.56 1wgk s SER 6 Cb -0.06 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wgk s SER 6 CO 0.02 -2.83 0.00 0.61 0.41 0.00 0.00 173.24 171.45 1wgk n GLY 7 N 6.02 1.31 2.68 3.44 0.00 -1.26 -4.47 105.19 112.91 1wgk n GLY 7 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.67 -2.55 1.61 0.00 -1.26 -4.85 117.12 107.40 1wgk n MET 8 Ca 0.00 0.22 -0.42 0.00 -0.00 0.00 0.00 57.70 57.50 1wgk n MET 8 Cb 0.00 -4.78 -0.03 0.00 0.00 0.00 0.00 33.22 28.41 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 -2.34 3.35 0.25 -5.12 0.00 -1.26 -5.04 121.76 111.61 1wgk s ALA 9 Ca 0.08 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1wgk s ALA 9 Cb -0.05 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1wgk s ALA 9 CO 0.10 -0.47 0.43 0.00 0.00 0.00 0.00 175.76 175.83 1wgk s ALA 10 N 1.43 3.81 0.27 0.00 0.00 -1.26 -4.11 121.76 121.90 1wgk s ALA 10 Ca 0.55 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1wgk s ALA 10 Cb -0.24 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 20.81 1wgk s ALA 10 CO 0.26 0.25 1.25 -1.25 0.00 0.00 0.00 175.76 176.27 1wgk s PRO 11 N -3.77 4.44 -0.02 0.00 0.04 -1.26 -4.12 135.00 130.32 1wgk s PRO 11 Ca 0.38 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 1wgk s PRO 11 Cb -0.10 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1wgk s PRO 11 CO 0.31 -0.10 0.17 -0.51 0.04 0.00 0.00 177.00 176.91 1wgk s LEU 12 N -1.17 4.34 -0.30 -3.56 1.43 0.29 -4.87 118.68 114.84 1wgk s LEU 12 Ca 0.50 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1wgk s LEU 12 Cb -0.37 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.35 1wgk s LEU 12 CO 0.45 0.28 0.00 0.00 0.23 0.00 0.00 176.35 177.31 1wgk s VAL 14 N 1.26 2.85 -0.29 0.00 -7.23 0.11 -2.20 120.40 114.91 1wgk s VAL 14 Ca -0.05 -1.39 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1wgk s VAL 14 Cb -0.20 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1wgk s VAL 14 CO -0.01 0.18 0.17 -0.54 -0.31 0.00 0.00 175.10 174.59 1wgk s LYS 15 N -1.91 3.75 -0.17 4.82 1.02 -0.97 -0.37 119.74 125.91 1wgk s LYS 15 Ca 0.17 -0.44 -0.09 0.00 0.02 0.00 0.00 55.97 55.63 1wgk s LYS 15 Cb -0.11 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1wgk s LYS 15 CO 0.09 -0.25 0.14 0.08 -0.92 0.00 0.00 175.35 174.48 1wgk s VAL 16 N 1.71 5.44 -0.09 3.17 1.01 -0.32 -1.24 120.40 130.09 1wgk s VAL 16 Ca 0.06 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1wgk s VAL 16 Cb -0.16 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1wgk s VAL 16 CO 0.09 0.50 -0.08 -0.70 0.00 0.00 0.00 175.10 174.92 1wgk s GLU 17 N -0.14 1.38 -0.12 2.72 2.12 -0.83 -0.14 118.70 123.68 1wgk s GLU 17 Ca 0.11 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1wgk s GLU 17 Cb -0.11 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 1wgk s GLU 17 CO 0.00 -0.16 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.42 1wgk s PHE 18 N 1.34 2.92 -0.03 5.30 0.08 -0.99 -1.32 117.98 125.27 1wgk s PHE 18 Ca -0.03 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.76 1wgk s PHE 18 Cb -0.14 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1wgk s PHE 18 CO -0.03 -0.01 -0.26 0.20 -0.10 0.00 0.00 175.22 175.02 1wgk s GLY 19 N 0.07 1.28 0.00 4.36 0.00 -1.16 -4.52 107.32 107.35 1wgk s GLY 19 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1wgk s GLY 19 CO 0.03 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1wgk n GLY 20 N 2.56 1.23 0.00 0.20 0.00 -1.26 -3.89 105.19 104.03 1wgk n GLY 20 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.41 -0.02 0.00 -1.26 -4.80 105.19 99.52 1wgk n GLY 21 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 2.23 -1.35 4.61 0.00 -1.92 0.16 119.26 123.00 1wgk h ALA 22 Ca 0.00 0.06 0.39 0.00 0.00 0.00 0.00 54.91 55.36 1wgk h ALA 22 Cb 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1wgk h ALA 22 CO 0.00 -0.63 0.95 1.05 0.00 0.00 0.00 179.25 180.62 1wgk h GLU 23 N 0.39 0.05 -0.39 0.00 9.09 -1.83 0.93 114.58 122.82 1wgk h GLU 23 Ca 0.59 -0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.92 1wgk h GLU 23 Cb 1.49 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.56 1wgk h GLU 23 CO -0.29 0.03 -0.07 -0.07 0.05 0.00 0.00 179.01 178.66 1wgk h LEU 24 N 0.05 0.64 0.00 3.06 3.38 -0.97 -1.64 115.31 119.83 1wgk h LEU 24 Ca 0.67 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1wgk h LEU 24 Cb 2.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 43.10 1wgk h LEU 24 CO -0.08 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.39 1wgk n LEU 25 N -4.20 0.00 -3.65 1.67 4.77 0.32 -3.13 117.00 112.78 1wgk n LEU 25 Ca 0.01 0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 56.09 1wgk n LEU 25 Cb 0.32 -0.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1wgk n LEU 25 CO 0.41 -0.28 -0.20 -0.36 -1.33 0.00 0.00 177.39 175.63 1wgk s PHE 26 N -2.75 2.16 -0.15 -1.77 0.40 -0.70 -3.78 117.98 111.40 1wgk s PHE 26 Ca 0.06 -2.68 -0.02 0.00 -0.60 0.00 0.00 56.93 53.69 1wgk s PHE 26 Cb 0.05 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1wgk s PHE 26 CO 0.12 -0.72 0.04 -3.47 0.70 0.00 0.00 175.22 171.89 1wgk n ASP 27 N 2.78 -1.12 -3.67 1.36 -0.08 -1.24 -2.13 116.55 112.45 1wgk n ASP 27 Ca 0.20 0.38 -0.31 0.00 -1.51 0.00 0.00 54.79 53.55 1wgk n ASP 27 Cb 0.39 -1.09 0.02 0.00 2.34 0.00 0.00 41.12 42.78 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 -0.54 -0.69 3.02 0.27 0.00 -0.73 -4.99 105.19 101.52 1wgk n GLY 28 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.77 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 -2.35 0.07 -0.06 1.61 1.01 -0.91 -4.91 120.40 114.87 1wgk s VAL 29 Ca 0.16 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1wgk s VAL 29 Cb -0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 36.38 35.93 1wgk s VAL 29 CO 0.89 -0.32 0.86 0.11 0.00 0.00 0.00 175.10 176.64 1wgk h LYS 30 N 4.92 -0.19 -5.97 2.72 1.57 -1.89 -3.43 116.57 114.30 1wgk h LYS 30 Ca -0.29 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 57.82 1wgk h LYS 30 Cb 1.20 0.04 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 1wgk h LYS 30 CO 0.42 0.25 -0.76 0.15 -0.57 0.00 0.00 179.45 178.95 1wgk s LYS 31 N -3.35 2.83 -0.10 3.15 3.01 -1.26 -2.36 119.74 121.66 1wgk s LYS 31 Ca -0.13 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 54.16 1wgk s LYS 31 Cb 0.00 -2.49 0.02 0.00 -1.01 0.00 0.00 37.83 34.36 1wgk s LYS 31 CO 0.48 0.49 -0.09 -1.01 0.51 0.00 0.00 175.35 175.73 1wgk s HIS 32 N -0.38 1.44 0.03 3.18 3.76 0.80 -5.00 115.29 119.12 1wgk s HIS 32 Ca 0.04 -0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 53.99 1wgk s HIS 32 Cb -0.12 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 1wgk s HIS 32 CO 0.02 -0.44 1.15 -1.14 -0.85 0.00 0.00 174.74 173.49 1wgk s GLN 33 N 1.40 4.44 -0.03 1.40 2.00 -1.26 -1.17 119.66 126.44 1wgk s GLN 33 Ca -0.01 1.67 0.07 0.00 -2.00 0.00 0.00 55.36 55.09 1wgk s GLN 33 Cb -0.13 -3.41 -0.02 0.00 0.80 0.00 0.00 33.01 30.25 1wgk s GLN 33 CO -0.05 -0.25 -0.24 0.08 -0.50 0.00 0.00 175.29 174.34 1wgk s VAL 34 N 1.27 1.89 -0.42 1.34 1.01 0.50 -4.95 120.40 121.04 1wgk s VAL 34 Ca 0.57 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1wgk s VAL 34 Cb -0.27 -1.57 0.14 0.00 0.00 0.00 0.00 36.38 34.68 1wgk s VAL 34 CO 0.27 0.53 0.24 0.00 0.00 0.00 0.00 175.10 176.15 1wgk s ALA 35 N -0.46 1.80 0.45 5.51 0.00 -1.26 0.05 121.76 127.85 1wgk s ALA 35 Ca 0.06 -2.41 -0.24 0.00 0.00 0.00 0.00 51.96 49.38 1wgk s ALA 35 Cb -0.10 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.15 1wgk s ALA 35 CO 0.00 -2.07 1.18 -0.51 0.00 0.00 0.00 175.76 174.36 1wgk s LEU 36 N 0.49 4.06 0.00 0.00 1.43 0.60 -4.79 118.68 120.47 1wgk s LEU 36 Ca 0.19 2.36 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1wgk s LEU 36 Cb -0.21 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 41.85 1wgk s LEU 36 CO -0.01 -0.89 0.05 -0.81 0.23 0.00 0.00 176.35 174.91 1wgk n PRO 37 N -0.35 -1.12 -4.84 1.29 -0.04 -1.26 0.10 135.00 128.78 1wgk n PRO 37 Ca 0.07 -0.08 -0.27 0.00 -0.04 0.00 0.00 63.50 63.17 1wgk n PRO 37 Cb 0.47 -0.07 -0.17 0.00 -0.04 0.00 0.00 33.50 33.69 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 -2.58 1.00 0.23 0.55 0.00 -1.26 -3.81 107.32 101.45 1wgk s GLY 38 Ca 0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 44.72 44.03 1wgk s GLY 38 CO 0.02 -0.09 0.32 -0.86 0.00 0.00 0.00 173.10 172.50 1wgk s GLN 39 N 0.49 1.39 0.33 2.90 -2.07 -1.26 -4.75 119.66 116.69 1wgk s GLN 39 Ca -0.15 -1.42 0.11 0.00 -1.82 0.00 0.00 55.36 52.07 1wgk s GLN 39 Cb -0.16 0.38 0.95 0.00 -1.09 0.00 0.00 33.01 33.08 1wgk s GLN 39 CO 0.06 -0.53 1.71 1.49 -1.32 0.00 0.00 175.29 176.69 1wgk h GLU 40 N 2.42 0.49 -5.83 9.60 4.81 -1.89 -3.40 114.58 120.79 1wgk h GLU 40 Ca -0.31 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.23 1wgk h GLU 40 Cb 1.25 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 1wgk h GLU 40 CO 0.43 0.32 -0.55 -1.83 -0.73 0.00 0.00 179.01 176.66 1wgk s GLU 41 N -5.74 3.22 0.78 1.92 -1.05 -1.26 -4.87 118.70 111.69 1wgk s GLU 41 Ca -0.10 -0.30 -0.11 0.00 -0.15 0.00 0.00 54.97 54.31 1wgk s GLU 41 Cb 0.28 -2.99 0.06 0.00 -0.44 0.00 0.00 34.13 31.04 1wgk s GLU 41 CO 0.79 0.72 1.09 -1.25 0.95 0.00 0.00 175.26 177.57 1wgk s PRO 42 N -1.16 2.22 -0.25 -4.83 0.04 -1.26 -4.97 135.00 124.78 1wgk s PRO 42 Ca 0.17 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1wgk s PRO 42 Cb -0.12 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1wgk s PRO 42 CO 0.06 -1.67 1.13 -1.58 0.04 0.00 0.00 177.00 174.98 1wgk s TRP 43 N -2.90 3.09 0.11 0.56 0.52 -1.26 -4.97 118.94 114.09 1wgk s TRP 43 Ca 0.61 1.21 0.05 0.00 0.02 0.00 0.00 56.10 57.99 1wgk s TRP 43 Cb -0.17 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.57 1wgk s TRP 43 CO 0.56 -1.00 0.03 0.16 0.02 0.00 0.00 176.95 176.73 1wgk s ASP 44 N 1.72 5.14 0.30 2.95 -4.77 -1.26 -1.35 116.67 119.40 1wgk s ASP 44 Ca 0.48 -0.18 -0.01 0.00 -3.30 0.00 0.00 52.55 49.55 1wgk s ASP 44 Cb -0.16 -1.25 0.67 0.00 -1.09 0.00 0.00 42.92 41.09 1wgk s ASP 44 CO 0.13 0.14 1.54 -0.38 0.70 0.00 0.00 175.17 177.31 1wgk n ILE 45 N 0.28 -0.41 -0.24 2.11 2.08 -1.02 -0.28 119.36 121.88 1wgk n ILE 45 Ca -0.10 2.20 -0.13 0.00 0.56 0.00 0.00 62.75 65.28 1wgk n ILE 45 Cb 0.53 -3.16 -0.10 0.00 -0.75 0.00 0.00 39.64 36.16 1wgk n ILE 45 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1wgk h ARG 46 N 0.00 -0.25 -0.15 0.38 2.43 -1.79 -1.95 114.38 113.05 1wgk h ARG 46 Ca 0.56 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.69 1wgk h ARG 46 Cb 1.09 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1wgk h ARG 46 CO -0.95 -0.17 -0.15 -0.91 -1.51 0.00 0.00 179.97 176.28 1wgk h ASN 47 N -0.26 0.38 -0.79 -3.80 2.35 -1.17 -3.17 115.58 109.12 1wgk h ASN 47 Ca 0.10 -0.48 0.32 0.00 -0.55 0.00 0.00 56.30 55.69 1wgk h ASN 47 Cb 0.53 -0.11 -0.13 0.00 0.05 0.00 0.00 38.32 38.66 1wgk h ASN 47 CO -0.72 0.79 0.44 -0.11 -1.65 0.00 0.00 177.43 176.18 1wgk n LEU 48 N -4.55 0.26 0.31 1.61 7.94 0.62 -0.00 117.00 123.19 1wgk n LEU 48 Ca -0.06 1.25 -0.12 0.00 -1.11 0.00 0.00 56.01 55.96 1wgk n LEU 48 Cb 0.37 -0.61 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 1wgk n LEU 48 CO 0.39 -1.39 0.50 -0.07 -1.11 0.00 0.00 177.39 175.71 1wgk h LEU 49 N 0.00 -0.68 -0.72 -1.96 -0.00 -1.38 -2.12 115.31 108.46 1wgk h LEU 49 Ca 0.65 0.02 0.19 0.00 -0.00 0.00 0.00 57.88 58.74 1wgk h LEU 49 Cb 1.76 0.17 -0.13 0.00 -0.00 0.00 0.00 40.66 42.46 1wgk h LEU 49 CO -0.57 -0.47 -0.01 0.52 -0.00 0.00 0.00 178.44 177.91 1wgk n VAL 50 N -4.23 -0.30 0.35 1.22 0.31 1.00 0.11 118.33 116.79 1wgk n VAL 50 Ca -0.10 1.60 -0.14 0.00 -0.01 0.00 0.00 64.34 65.69 1wgk n VAL 50 Cb 0.31 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 30.87 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 -0.84 0.00 3.52 7.01 -1.40 -1.91 115.95 122.33 1wgk h TRP 51 Ca 0.42 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.40 1wgk h TRP 51 Cb 0.85 0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1wgk h TRP 51 CO -0.40 -0.53 0.05 0.82 -2.79 0.00 0.00 178.44 175.60 1wgk h ILE 52 N -1.08 0.00 0.00 2.65 2.04 0.12 1.23 117.51 122.47 1wgk h ILE 52 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1wgk h ILE 52 Cb 0.70 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1wgk h ILE 52 CO 0.15 0.00 -0.58 0.29 0.00 0.00 0.00 178.15 178.01 1wgk n LYS 53 N -2.51 0.18 0.06 2.37 5.02 0.30 -0.53 118.16 123.04 1wgk n LYS 53 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1wgk n LYS 53 Cb 0.10 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.87 0.00 0.27 1.97 5.02 0.12 -4.49 118.16 119.18 1wgk n LYS 54 Ca 0.04 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.17 1wgk n LYS 54 Cb 0.40 -0.29 -0.09 0.00 -0.02 0.00 0.00 35.03 35.03 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 -1.19 0.28 4.39 2.35 0.11 -3.33 115.58 118.18 1wgk h ASN 55 Ca 0.00 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1wgk h ASN 55 Cb 0.00 0.39 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1wgk h ASN 55 CO 0.00 -0.59 -0.14 0.25 -1.65 0.00 0.00 177.43 175.31 1wgk h LEU 56 N -0.89 -0.32 -9.79 1.61 5.85 -1.67 -3.45 115.31 106.65 1wgk h LEU 56 Ca -0.06 0.01 -0.52 0.00 0.84 0.00 0.00 57.88 58.15 1wgk h LEU 56 Cb 0.77 0.08 0.04 0.00 0.37 0.00 0.00 40.66 41.92 1wgk h LEU 56 CO -0.04 0.06 0.59 -0.22 -0.34 0.00 0.00 178.44 178.49 1wgk s LEU 57 N -8.30 4.46 -0.00 2.25 2.96 0.31 -4.75 118.68 115.61 1wgk s LEU 57 Ca -0.06 2.45 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1wgk s LEU 57 Cb 0.01 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1wgk s LEU 57 CO 0.17 -0.40 0.01 0.29 -1.32 0.00 0.00 176.35 175.09 1wgk n LYS 58 N 1.55 1.75 -0.85 1.98 4.76 -1.25 -3.71 118.16 122.39 1wgk n LYS 58 Ca 0.02 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.30 1wgk n LYS 58 Cb 0.43 -1.01 0.12 0.00 -1.84 0.00 0.00 35.03 32.72 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 -1.74 -1.15 -1.81 1.97 -0.58 -1.26 -4.94 120.64 111.13 1wgk n GLU 59 Ca -0.00 -1.02 -0.42 0.00 -0.42 0.00 0.00 57.16 55.29 1wgk n GLU 59 Cb 0.24 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wgk s ARG 60 N -4.45 4.16 0.09 3.49 1.81 -1.26 -4.90 118.95 117.89 1wgk s ARG 60 Ca 0.39 2.45 -0.16 0.00 -1.72 0.00 0.00 55.73 56.69 1wgk s ARG 60 Cb -0.02 -3.91 -0.10 0.00 -0.45 0.00 0.00 34.95 30.47 1wgk s ARG 60 CO 0.28 -0.87 1.40 -1.00 -0.68 0.00 0.00 175.30 174.44 1wgk h PRO 61 N 9.56 0.63 0.00 3.54 0.13 -1.86 -2.98 132.00 141.02 1wgk h PRO 61 Ca -0.45 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1wgk h PRO 61 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wgk h PRO 61 CO 0.94 0.94 0.51 1.05 -0.23 0.00 0.00 178.00 181.21 1wgk h GLU 62 N 0.35 0.00 0.00 0.86 4.11 -1.89 0.57 114.58 118.58 1wgk h GLU 62 Ca 0.04 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.40 1wgk h GLU 62 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1wgk h GLU 62 CO 0.06 0.00 -0.46 -0.07 0.07 0.00 0.00 179.01 178.61 1wgk h LEU 63 N 0.00 0.00 0.17 3.06 4.07 -1.92 -3.41 115.31 117.28 1wgk h LEU 63 Ca 0.00 -0.60 -0.01 0.00 0.08 0.00 0.00 57.88 57.35 1wgk h LEU 63 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1wgk h LEU 63 CO 0.00 1.07 -0.08 0.15 -1.08 0.00 0.00 178.44 178.49 1wgk h PHE 64 N -1.00 -0.21 -3.89 1.13 3.57 -1.05 -3.47 116.94 112.03 1wgk h PHE 64 Ca -0.11 -0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.12 1wgk h PHE 64 Cb 0.91 0.07 -0.25 0.00 2.79 0.00 0.00 35.95 39.47 1wgk h PHE 64 CO 0.13 0.21 -0.73 0.42 -2.23 0.00 0.00 178.31 176.10 1wgk s ILE 65 N -3.33 0.29 -0.41 1.41 1.01 0.18 -4.50 121.20 115.85 1wgk s ILE 65 Ca -0.12 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 1wgk s ILE 65 Cb 0.00 -0.31 0.07 0.00 0.01 0.00 0.00 42.46 42.23 1wgk s ILE 65 CO 0.45 -0.13 0.25 -1.58 0.00 0.00 0.00 174.94 173.94 1wgk s GLN 66 N -0.64 2.66 1.31 2.79 2.00 -1.25 -3.20 119.66 123.32 1wgk s GLN 66 Ca -0.04 -1.38 0.00 0.00 -2.00 0.00 0.00 55.36 51.94 1wgk s GLN 66 Cb -0.05 -3.78 0.00 0.00 0.80 0.00 0.00 33.01 29.98 1wgk s GLN 66 CO -0.00 -0.91 0.00 0.41 -0.50 0.00 0.00 175.29 174.29 1wgk n GLY 67 N 4.94 -1.61 0.11 2.59 0.00 -1.26 -4.24 105.19 105.73 1wgk n GLY 67 Ca -0.11 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 0.15 0.01 -3.57 1.61 3.58 -1.94 -3.45 116.42 112.81 1wgk h ASP 68 Ca 0.00 -0.01 -0.50 0.00 0.42 0.00 0.00 57.03 56.94 1wgk h ASP 68 Cb 0.00 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1wgk h ASP 68 CO 0.00 0.76 0.04 -0.94 -2.88 0.00 0.00 179.24 176.22 1wgk s SER 69 N -6.81 6.54 0.14 2.28 1.04 -1.26 -4.60 113.70 111.04 1wgk s SER 69 Ca -0.01 1.04 -0.30 0.00 0.48 0.00 0.00 55.95 57.17 1wgk s SER 69 Cb 0.12 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 1wgk s SER 69 CO 0.78 -0.31 1.05 0.68 0.98 0.00 0.00 173.24 176.43 1wgk s VAL 70 N -2.22 4.14 1.00 5.02 -7.23 -1.26 -3.96 120.40 115.89 1wgk s VAL 70 Ca 0.50 1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 62.29 1wgk s VAL 70 Cb -0.10 -4.14 -0.14 0.00 0.56 0.00 0.00 36.38 32.55 1wgk s VAL 70 CO 0.28 0.28 -0.77 0.54 -0.31 0.00 0.00 175.10 175.12 1wgk n ARG 71 N 2.67 -0.02 0.00 4.82 1.74 -1.26 -4.73 116.66 119.87 1wgk n ARG 71 Ca 0.03 -0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.16 1wgk n ARG 71 Cb 0.47 -1.04 0.32 0.00 -1.02 0.00 0.00 32.46 31.20 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 2.30 0.49 -0.03 5.56 -0.04 -1.26 -2.77 135.00 139.24 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 0.56 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.24 3.58 0.55 0.00 -1.26 -4.95 105.19 102.85 1wgk n GLY 73 Ca 0.08 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1wgk n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgk s ILE 74 N -2.16 3.48 -0.32 -0.61 -1.09 -1.11 -3.80 121.20 115.58 1wgk s ILE 74 Ca -0.06 0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 58.60 1wgk s ILE 74 Cb 0.02 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1wgk s ILE 74 CO 0.23 -0.61 0.57 -0.76 -1.23 0.00 0.00 174.94 173.14 1wgk s LEU 75 N 7.53 4.21 0.26 2.97 1.43 0.13 -4.74 118.68 130.47 1wgk s LEU 75 Ca 0.74 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 1wgk s LEU 75 Cb -0.18 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1wgk s LEU 75 CO 0.29 -0.46 0.39 0.68 0.23 0.00 0.00 176.35 177.48 1wgk s VAL 76 N 2.50 5.10 -0.14 -1.59 -7.23 -1.26 -0.02 120.40 117.76 1wgk s VAL 76 Ca 0.22 -0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 1wgk s VAL 76 Cb -0.15 -3.80 0.07 0.00 0.56 0.00 0.00 36.38 33.05 1wgk s VAL 76 CO 0.12 -0.32 0.29 -0.76 -0.31 0.00 0.00 175.10 174.12 1wgk s LEU 77 N -4.03 -0.32 -0.29 1.32 1.43 0.71 -3.80 118.68 113.70 1wgk s LEU 77 Ca 0.36 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 1wgk s LEU 77 Cb -0.09 0.81 -0.03 0.00 0.03 0.00 0.00 46.19 46.91 1wgk s LEU 77 CO 0.30 -0.23 0.39 -0.63 0.23 0.00 0.00 176.35 176.41 1wgk s ILE 78 N 2.38 5.15 -1.53 -0.59 1.01 -0.25 -1.28 121.20 126.09 1wgk s ILE 78 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 1wgk s ILE 78 Cb -0.12 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.66 1wgk s ILE 78 CO -0.09 0.06 0.67 0.59 0.00 0.00 0.00 174.94 176.17 1wgk n ASN 79 N 5.40 -2.27 -3.10 3.58 3.02 -0.57 -0.86 115.26 120.47 1wgk n ASN 79 Ca -0.08 -0.95 -0.18 0.00 -0.03 0.00 0.00 54.58 53.34 1wgk n ASN 79 Cb 0.50 -3.17 0.07 0.00 -0.61 0.00 0.00 39.78 36.57 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 -2.85 -4.10 -3.66 6.41 8.00 -1.26 -5.01 116.55 114.09 1wgk n ASP 80 Ca -0.11 -0.49 -0.07 0.00 0.71 0.00 0.00 54.79 54.83 1wgk n ASP 80 Cb 0.59 -4.39 -0.08 0.00 -0.02 0.00 0.00 41.12 37.21 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 -3.29 -1.34 -0.08 2.24 0.00 -0.04 -5.12 121.76 114.14 1wgk s ALA 81 Ca 0.28 1.68 -0.41 0.00 0.00 0.00 0.00 51.96 53.51 1wgk s ALA 81 Cb -0.12 -1.40 -0.20 0.00 0.00 0.00 0.00 23.12 21.40 1wgk s ALA 81 CO 0.62 -0.77 1.14 -0.25 0.00 0.00 0.00 175.76 176.51 1wgk n ASP 82 N 5.35 0.17 0.18 0.00 8.00 -1.26 -1.09 116.55 127.90 1wgk n ASP 82 Ca -0.10 1.16 0.14 0.00 0.71 0.00 0.00 54.79 56.70 1wgk n ASP 82 Cb 0.50 -0.91 0.60 0.00 -0.02 0.00 0.00 41.12 41.29 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 3.28 0.00 -0.10 1.24 5.08 -1.91 -2.80 115.95 120.74 1wgk h TRP 83 Ca -0.50 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.31 1wgk h TRP 83 Cb 1.41 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.58 1wgk h TRP 83 CO 0.58 0.00 -0.60 1.05 -1.28 0.00 0.00 178.44 178.19 1wgk h GLU 84 N 0.00 0.58 0.00 0.12 4.11 -1.88 0.55 114.58 118.05 1wgk h GLU 84 Ca 0.00 -0.49 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 1wgk h GLU 84 Cb 0.32 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wgk h GLU 84 CO 0.00 1.11 -0.16 -0.07 0.07 0.00 0.00 179.01 179.97 1wgk h LEU 85 N 0.20 0.00 0.00 3.06 4.07 -1.86 -3.34 115.31 117.44 1wgk h LEU 85 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1wgk h LEU 85 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1wgk h LEU 85 CO 0.12 0.16 -0.32 0.18 -1.08 0.00 0.00 178.44 177.50 1wgk n LEU 86 N -3.61 0.74 0.00 1.67 4.77 -1.19 -5.04 117.00 114.34 1wgk n LEU 86 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1wgk n LEU 86 Cb 0.29 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1wgk n LEU 86 CO 0.31 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1wgk n GLY 87 N 1.56 -1.59 0.12 -0.72 0.00 0.16 -4.71 105.19 100.02 1wgk n GLY 87 Ca -0.04 0.99 -0.03 0.00 0.00 0.00 0.00 46.02 46.94 1wgk n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgk n GLU 88 N 0.00 -0.12 -0.00 1.61 1.02 0.32 -1.09 120.64 122.37 1wgk n GLU 88 Ca 0.00 0.87 0.01 0.00 -0.02 0.00 0.00 57.16 58.02 1wgk n GLU 88 Cb 0.00 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 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 -3.58 0.14 0.11 -4.62 4.77 -1.26 -4.51 117.00 108.05 1wgk n LEU 89 Ca 0.01 -0.49 0.01 0.00 -0.03 0.00 0.00 56.01 55.51 1wgk n LEU 89 Cb 0.07 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1wgk n LEU 89 CO -0.05 0.04 0.30 0.44 -1.33 0.00 0.00 177.39 176.79 1wgk h ASP 90 N 0.00 0.00 -3.34 -1.43 5.19 -1.92 -3.37 116.42 111.56 1wgk h ASP 90 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 1wgk h ASP 90 Cb 0.08 0.00 0.06 0.00 0.18 0.00 0.00 39.33 39.64 1wgk h ASP 90 CO 0.00 0.57 0.77 -0.47 -3.12 0.00 0.00 179.24 176.99 1wgk s TYR 91 N -2.93 3.02 -0.31 4.55 6.14 -0.25 -4.96 117.35 122.61 1wgk s TYR 91 Ca 0.02 0.99 0.01 0.00 0.64 0.00 0.00 57.07 58.74 1wgk s TYR 91 Cb 0.08 -3.83 0.08 0.00 0.42 0.00 0.00 41.96 38.70 1wgk s TYR 91 CO 0.76 -2.74 0.01 -0.65 0.64 0.00 0.00 175.55 173.58 1wgk s GLN 92 N -0.26 2.04 0.29 4.97 -0.21 -1.26 -2.44 119.66 122.80 1wgk s GLN 92 Ca 0.60 -1.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.14 1wgk s GLN 92 Cb -0.42 -3.15 -0.13 0.00 1.00 0.00 0.00 33.01 30.31 1wgk s GLN 92 CO 0.42 -0.76 1.37 1.28 -2.12 0.00 0.00 175.29 175.48 1wgk n LEU 93 N 4.45 3.44 0.00 2.90 4.77 -0.46 -4.95 117.00 127.16 1wgk n LEU 93 Ca -0.07 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 1wgk n LEU 93 Cb 0.42 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1wgk n LEU 93 CO 0.24 -0.43 0.00 0.00 -1.33 0.00 0.00 177.39 175.88 1wgk n GLN 94 N 1.32 0.00 -3.64 3.23 1.13 -1.26 -4.32 117.38 113.84 1wgk n GLN 94 Ca 0.08 0.13 -0.06 0.00 -1.94 0.00 0.00 57.00 55.21 1wgk n GLN 94 Cb 0.34 -0.52 -0.02 0.00 0.11 0.00 0.00 30.24 30.16 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 -2.27 -0.28 0.00 1.08 -4.77 -1.26 -4.86 116.67 104.31 1wgk s ASP 95 Ca 0.00 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.01 1wgk s ASP 95 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 1wgk s ASP 95 CO 0.00 -0.84 0.00 0.00 0.70 0.00 0.00 175.17 175.03 1wgk n GLN 96 N -0.38 -2.21 -2.86 2.11 3.00 -0.93 -4.83 117.38 111.27 1wgk n GLN 96 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.53 1wgk n GLN 96 Cb 0.61 -3.99 -0.06 0.00 0.00 0.00 0.00 30.24 26.80 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 -1.54 7.38 -0.25 1.08 1.01 -1.25 -4.86 116.67 118.25 1wgk s ASP 97 Ca 0.00 1.77 -0.09 0.00 0.71 0.00 0.00 52.55 54.93 1wgk s ASP 97 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1wgk s ASP 97 CO 0.00 0.06 0.12 -0.55 0.21 0.00 0.00 175.17 175.01 1wgk s SER 98 N -1.43 5.69 -0.19 0.27 0.15 -1.26 -2.30 113.70 114.63 1wgk s SER 98 Ca 0.44 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 1wgk s SER 98 Cb -0.21 -2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1wgk s SER 98 CO 0.26 0.01 -0.10 -0.63 1.20 0.00 0.00 173.24 173.99 1wgk s ILE 99 N 1.35 3.02 -0.11 6.45 -1.09 -0.37 -1.50 121.20 128.94 1wgk s ILE 99 Ca 0.06 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1wgk s ILE 99 Cb -0.15 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1wgk s ILE 99 CO 0.06 0.47 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.97 1wgk s LEU 100 N 1.17 3.22 -0.14 2.97 2.96 -0.40 -1.97 118.68 126.49 1wgk s LEU 100 Ca 0.02 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1wgk s LEU 100 Cb -0.14 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1wgk s LEU 100 CO -0.03 0.27 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.74 1wgk s PHE 101 N -0.26 2.32 -0.07 5.38 0.40 -0.43 -0.21 117.98 125.11 1wgk s PHE 101 Ca 0.04 -1.24 0.04 0.00 -0.60 0.00 0.00 56.93 55.17 1wgk s PHE 101 Cb -0.13 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1wgk s PHE 101 CO 0.02 -0.63 -0.17 0.42 0.70 0.00 0.00 175.22 175.57 1wgk s ILE 102 N 1.18 2.81 -0.28 0.64 1.01 0.98 -2.97 121.20 124.57 1wgk s ILE 102 Ca -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1wgk s ILE 102 Cb -0.14 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1wgk s ILE 102 CO -0.07 0.57 0.01 -0.55 0.00 0.00 0.00 174.94 174.90 1wgk s SER 103 N -0.40 4.75 -0.40 3.58 0.15 -1.25 0.18 113.70 120.31 1wgk s SER 103 Ca 0.04 -0.88 0.08 0.00 0.70 0.00 0.00 55.95 55.89 1wgk s SER 103 Cb -0.12 -1.76 0.43 0.00 -1.71 0.00 0.00 66.02 62.86 1wgk s SER 103 CO 0.02 -0.18 1.09 0.35 1.20 0.00 0.00 173.24 175.72 1wgk n THR 104 N 4.74 2.11 -3.68 6.45 -2.24 -1.25 -4.78 114.28 115.63 1wgk n THR 104 Ca -0.15 -4.49 -0.15 0.00 -2.27 0.00 0.00 64.05 56.99 1wgk n THR 104 Cb 0.47 -0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 67.77 1wgk n THR 104 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1wgk s LEU 105 N -3.47 0.31 -0.05 3.22 0.05 -1.26 -4.99 118.68 112.49 1wgk s LEU 105 Ca 0.44 0.32 0.00 0.00 0.05 0.00 0.00 54.13 54.94 1wgk s LEU 105 Cb 0.41 1.72 0.02 0.00 -2.05 0.00 0.00 46.19 46.29 1wgk s LEU 105 CO -0.12 -0.50 -0.02 -1.00 -0.55 0.00 0.00 176.35 174.16 1wgk s HIS 106 N -1.25 0.63 -0.38 3.48 3.76 -1.26 -5.05 115.29 115.22 1wgk s HIS 106 Ca -0.12 -0.15 0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1wgk s HIS 106 Cb -0.03 -0.66 0.44 0.00 1.11 0.00 0.00 32.58 33.43 1wgk s HIS 106 CO 0.06 -0.23 1.06 0.41 -0.85 0.00 0.00 174.74 175.20 1wgk n GLY 107 N 4.47 4.42 3.44 -2.22 0.00 -1.26 -5.07 105.19 108.98 1wgk n GLY 107 Ca -0.19 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 1wgk n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgk s GLY 108 N -3.42 2.27 -0.12 -0.02 0.00 -1.26 -5.10 107.32 99.66 1wgk s GLY 108 Ca 0.41 -1.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 1wgk s GLY 108 CO -0.09 -1.75 -0.27 -1.26 0.00 0.00 0.00 173.10 169.73 1wgk n SER 109 N -0.98 1.70 0.00 1.64 2.88 -1.26 -5.08 113.62 112.52 1wgk n SER 109 Ca -0.03 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1wgk n SER 109 Cb 0.65 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.83 0.40 0.00 0.46 0.00 -1.26 -5.00 105.19 101.62 1wgk n GLY 110 Ca -0.11 0.65 0.06 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 0.49 -0.25 1.61 -0.04 -1.26 -4.04 135.00 131.50 1wgk n PRO 111 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1wgk n PRO 111 Cb 0.00 -1.36 0.25 0.00 -0.04 0.00 0.00 33.50 32.35 1wgk n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgk n SER 112 N -0.86 -0.04 -3.77 3.54 7.64 -1.26 -4.63 113.62 114.23 1wgk n SER 112 Ca 0.08 1.26 -0.08 0.00 1.01 0.00 0.00 58.87 61.14 1wgk n SER 112 Cb 0.04 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1wgk n SER 112 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgk s SER 113 N -4.96 -0.15 0.00 6.43 0.01 -1.26 -5.33 113.70 108.45 1wgk s SER 113 Ca -0.09 -0.78 0.14 0.00 1.31 0.00 0.00 55.95 56.53 1wgk s SER 113 Cb 0.22 0.70 0.11 0.00 0.21 0.00 0.00 66.02 67.27 1wgk s SER 113 CO 0.58 -1.33 0.94 0.61 0.41 0.00 0.00 173.24 174.44