#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 3.78 0.04 1.61 0.15 -1.26 -5.16 113.70 112.86 1wgk s SER 2 Ca 0.00 -1.15 0.01 0.00 0.70 0.00 0.00 55.95 55.50 1wgk s SER 2 Cb 0.00 -0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1wgk s SER 2 CO 0.00 -0.18 -0.05 -0.55 1.20 0.00 0.00 173.24 173.66 1wgk s SER 3 N -3.61 0.59 0.00 5.45 0.15 -1.26 -5.10 113.70 109.92 1wgk s SER 3 Ca 0.32 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1wgk s SER 3 Cb 0.01 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1wgk s SER 3 CO 0.17 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wgk n GLY 4 N 0.96 0.18 0.77 9.45 0.00 -1.26 -5.06 105.19 110.23 1wgk n GLY 4 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1wgk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgk n SER 5 N -1.37 1.09 -4.77 1.61 2.88 -1.26 -5.03 113.62 106.76 1wgk n SER 5 Ca 0.00 0.16 -0.39 0.00 -1.33 0.00 0.00 58.87 57.30 1wgk n SER 5 Cb 0.00 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.06 1wgk n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgk s SER 6 N -5.73 6.48 -0.40 -3.46 0.15 -1.26 -5.01 113.70 104.46 1wgk s SER 6 Ca -0.06 2.55 0.02 0.00 0.70 0.00 0.00 55.95 59.15 1wgk s SER 6 Cb 0.01 -2.63 0.15 0.00 -1.71 0.00 0.00 66.02 61.83 1wgk s SER 6 CO 0.10 -0.73 0.25 -0.83 1.20 0.00 0.00 173.24 173.23 1wgk s GLY 7 N -0.83 1.22 0.44 9.45 0.00 -1.26 -4.98 107.32 111.36 1wgk s GLY 7 Ca 0.55 -2.25 -0.25 0.00 0.00 0.00 0.00 44.72 42.77 1wgk s GLY 7 CO 0.46 1.91 1.30 -3.16 0.00 0.00 0.00 173.10 173.62 1wgk s MET 8 N 0.58 3.78 0.49 2.90 0.00 -1.26 -4.92 119.30 120.87 1wgk s MET 8 Ca 0.21 2.14 -0.05 0.00 0.00 0.00 0.00 55.69 57.99 1wgk s MET 8 Cb -0.17 -2.62 -0.03 0.00 0.00 0.00 0.00 34.83 32.01 1wgk s MET 8 CO -0.04 -0.64 0.80 0.00 0.00 0.00 0.00 175.02 175.13 1wgk s ALA 9 N -1.30 3.39 0.38 3.16 0.00 -1.26 -4.99 121.76 121.14 1wgk s ALA 9 Ca 0.61 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.09 1wgk s ALA 9 Cb -0.38 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1wgk s ALA 9 CO 0.47 -0.39 0.54 0.00 0.00 0.00 0.00 175.76 176.39 1wgk s ALA 10 N -2.77 4.09 0.08 0.00 0.00 -1.26 -3.91 121.76 117.99 1wgk s ALA 10 Ca 0.48 -1.34 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 1wgk s ALA 10 Cb -0.10 -1.83 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 1wgk s ALA 10 CO 0.45 -0.17 1.39 -1.25 0.00 0.00 0.00 175.76 176.18 1wgk s PRO 11 N -4.31 4.32 0.14 0.00 0.04 -1.26 -3.88 135.00 130.04 1wgk s PRO 11 Ca 0.47 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.56 1wgk s PRO 11 Cb -0.10 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1wgk s PRO 11 CO 0.33 -0.46 0.28 -0.48 0.04 0.00 0.00 177.00 176.71 1wgk s LEU 12 N 1.44 4.34 0.05 -3.56 0.05 0.11 -4.87 118.68 116.24 1wgk s LEU 12 Ca 0.64 0.19 0.09 0.00 0.05 0.00 0.00 54.13 55.10 1wgk s LEU 12 Cb -0.35 -2.92 -0.03 0.00 -2.05 0.00 0.00 46.19 40.84 1wgk s LEU 12 CO 0.29 0.07 -0.26 0.00 -0.55 0.00 0.00 176.35 175.90 1wgk s VAL 14 N -0.82 0.10 -0.46 0.00 -7.23 0.94 -1.95 120.40 110.97 1wgk s VAL 14 Ca 0.11 -0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 60.02 1wgk s VAL 14 Cb -0.10 -0.11 0.03 0.00 0.56 0.00 0.00 36.38 36.76 1wgk s VAL 14 CO 0.02 0.04 0.81 -0.54 -0.31 0.00 0.00 175.10 175.12 1wgk s LYS 15 N 0.12 3.40 0.07 4.82 1.02 0.43 -1.05 119.74 128.55 1wgk s LYS 15 Ca -0.01 -0.11 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 1wgk s LYS 15 Cb -0.02 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.29 1wgk s LYS 15 CO -0.00 -1.16 0.24 0.08 -0.92 0.00 0.00 175.35 173.58 1wgk s VAL 16 N 3.38 5.35 -0.14 3.17 1.01 -0.29 -0.61 120.40 132.26 1wgk s VAL 16 Ca 0.30 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1wgk s VAL 16 Cb -0.12 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1wgk s VAL 16 CO 0.23 0.15 0.31 -0.70 0.00 0.00 0.00 175.10 175.09 1wgk s GLU 17 N -2.44 0.23 -0.10 2.72 2.12 -0.19 -0.33 118.70 120.72 1wgk s GLU 17 Ca 0.35 0.75 -0.02 0.00 0.36 0.00 0.00 54.97 56.42 1wgk s GLU 17 Cb -0.13 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 1wgk s GLU 17 CO 0.26 -0.23 -0.02 -0.06 -0.54 0.00 0.00 175.26 174.67 1wgk s PHE 18 N 2.00 3.09 -0.06 5.30 0.40 -1.17 -1.22 117.98 126.32 1wgk s PHE 18 Ca -0.04 0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1wgk s PHE 18 Cb -0.11 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.64 1wgk s PHE 18 CO -0.10 0.35 -0.03 0.20 0.70 0.00 0.00 175.22 176.35 1wgk s GLY 19 N -0.64 0.51 0.00 4.36 0.00 -0.44 -4.55 107.32 106.56 1wgk s GLY 19 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1wgk s GLY 19 CO 0.02 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1wgk n GLY 20 N 4.65 1.33 2.96 0.20 0.00 -1.26 -2.79 105.19 110.28 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 -0.01 2.20 0.59 -0.02 0.00 -1.26 -4.66 105.19 102.03 1wgk n GLY 21 Ca 0.00 -0.09 0.45 0.00 0.00 0.00 0.00 46.02 46.38 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 3.34 -0.96 4.61 0.00 -1.90 0.20 119.26 124.55 1wgk h ALA 22 Ca 0.00 0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.22 1wgk h ALA 22 Cb 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 1wgk h ALA 22 CO 0.00 -1.91 0.29 1.05 0.00 0.00 0.00 179.25 178.68 1wgk h GLU 23 N 0.03 0.11 -0.94 0.00 4.11 -1.82 0.81 114.58 116.88 1wgk h GLU 23 Ca 0.85 -0.01 0.13 0.00 0.07 0.00 0.00 59.36 60.41 1wgk h GLU 23 Cb 3.14 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 32.28 1wgk h GLU 23 CO -0.18 0.07 0.56 -0.07 0.07 0.00 0.00 179.01 179.47 1wgk h LEU 24 N 0.11 0.78 -0.44 3.06 3.38 -0.91 0.50 115.31 121.79 1wgk h LEU 24 Ca 0.66 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.70 1wgk h LEU 24 Cb 1.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1wgk h LEU 24 CO -0.76 0.38 0.00 0.18 0.09 0.00 0.00 178.44 178.33 1wgk n LEU 25 N -4.72 0.20 -3.53 1.67 4.77 0.28 -2.98 117.00 112.69 1wgk n LEU 25 Ca 0.18 0.58 -0.27 0.00 -0.03 0.00 0.00 56.01 56.48 1wgk n LEU 25 Cb 0.40 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 1wgk n LEU 25 CO 0.25 -0.60 -0.22 0.49 -1.33 0.00 0.00 177.39 175.97 1wgk n PHE 26 N -1.76 0.45 -2.01 -1.77 3.01 0.15 -2.73 117.46 112.81 1wgk n PHE 26 Ca 0.00 -3.64 -0.09 0.00 1.01 0.00 0.00 57.45 54.73 1wgk n PHE 26 Cb 0.04 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1wgk n PHE 26 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wgk n ASP 27 N 2.44 -2.94 -3.69 4.37 8.00 -1.22 -2.70 116.55 120.80 1wgk n ASP 27 Ca 0.27 0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.78 1wgk n ASP 27 Cb 0.44 -2.66 0.00 0.00 -0.02 0.00 0.00 41.12 38.89 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgk n GLY 28 N -0.52 -1.10 3.08 0.44 0.00 0.46 -4.92 105.19 102.63 1wgk n GLY 28 Ca -0.11 0.50 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.96 0.17 -0.03 1.61 1.01 -1.10 -4.81 120.40 114.28 1wgk s VAL 29 Ca 0.05 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 1wgk s VAL 29 Cb -0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1wgk s VAL 29 CO 0.79 -0.79 -0.01 0.11 0.00 0.00 0.00 175.10 175.20 1wgk h LYS 30 N 3.55 0.00 -5.19 2.72 1.57 -1.91 -3.42 116.57 113.88 1wgk h LYS 30 Ca -0.33 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.83 1wgk h LYS 30 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 1wgk h LYS 30 CO 0.57 0.00 -0.36 0.15 -0.57 0.00 0.00 179.45 179.23 1wgk s LYS 31 N -1.21 4.08 -0.18 3.15 1.02 -1.26 -3.04 119.74 122.30 1wgk s LYS 31 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1wgk s LYS 31 Cb 0.00 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1wgk s LYS 31 CO 0.01 -0.05 -0.18 -1.01 -0.92 0.00 0.00 175.35 173.21 1wgk s HIS 32 N 1.37 2.80 -0.61 3.18 3.76 0.55 -4.98 115.29 121.36 1wgk s HIS 32 Ca 0.12 -1.54 -0.26 0.00 -0.15 0.00 0.00 55.06 53.23 1wgk s HIS 32 Cb -0.14 -1.94 0.04 0.00 1.11 0.00 0.00 32.58 31.64 1wgk s HIS 32 CO 0.07 -0.77 1.11 -1.14 -0.85 0.00 0.00 174.74 173.16 1wgk s GLN 33 N 1.30 3.36 0.01 1.40 0.74 -1.26 -1.14 119.66 124.07 1wgk s GLN 33 Ca 0.05 -0.10 -0.13 0.00 0.05 0.00 0.00 55.36 55.23 1wgk s GLN 33 Cb -0.13 -4.08 -0.06 0.00 1.10 0.00 0.00 33.01 29.85 1wgk s GLN 33 CO -0.11 -1.72 0.39 0.08 -0.55 0.00 0.00 175.29 173.38 1wgk s VAL 34 N 4.71 5.07 -0.37 1.34 1.01 -0.21 -4.96 120.40 127.00 1wgk s VAL 34 Ca 0.36 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1wgk s VAL 34 Cb -0.10 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.72 1wgk s VAL 34 CO 0.20 0.52 0.17 0.00 0.00 0.00 0.00 175.10 175.99 1wgk s ALA 35 N -1.15 1.67 0.42 5.51 0.00 -1.26 -0.04 121.76 126.91 1wgk s ALA 35 Ca 0.25 -2.05 -0.23 0.00 0.00 0.00 0.00 51.96 49.94 1wgk s ALA 35 Cb -0.16 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.15 1wgk s ALA 35 CO 0.14 -1.89 1.00 -0.51 0.00 0.00 0.00 175.76 174.50 1wgk s LEU 36 N 1.05 4.04 1.15 0.00 1.43 0.44 -4.86 118.68 121.93 1wgk s LEU 36 Ca 0.14 1.88 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 1wgk s LEU 36 Cb -0.21 -4.35 0.26 0.00 0.03 0.00 0.00 46.19 41.92 1wgk s LEU 36 CO -0.12 -0.45 1.10 -2.16 0.23 0.00 0.00 176.35 174.95 1wgk s PRO 37 N -2.80 -0.78 -0.12 1.29 0.04 -1.26 0.08 135.00 131.45 1wgk s PRO 37 Ca 0.60 0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.70 1wgk s PRO 37 Cb -0.16 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1wgk s PRO 37 CO 0.21 -3.45 0.03 0.20 0.04 0.00 0.00 177.00 174.03 1wgk s GLY 38 N -3.76 1.90 0.23 0.56 0.00 -1.25 -4.14 107.32 100.86 1wgk s GLY 38 Ca 0.69 -0.77 -0.16 0.00 0.00 0.00 0.00 44.72 44.49 1wgk s GLY 38 CO 0.57 -0.33 0.52 -0.86 0.00 0.00 0.00 173.10 172.99 1wgk s GLN 39 N -0.47 1.51 0.30 2.90 -2.07 -1.25 -4.69 119.66 115.88 1wgk s GLN 39 Ca 0.09 -1.07 0.01 0.00 -1.82 0.00 0.00 55.36 52.57 1wgk s GLN 39 Cb -0.12 0.51 0.53 0.00 -1.09 0.00 0.00 33.01 32.84 1wgk s GLN 39 CO 0.02 -0.64 1.90 0.93 -1.32 0.00 0.00 175.29 176.17 1wgk h GLU 40 N 2.21 1.00 -5.83 9.60 3.07 -1.92 -3.37 114.58 119.34 1wgk h GLU 40 Ca -0.26 -0.06 -0.61 0.00 -0.50 0.00 0.00 59.36 57.93 1wgk h GLU 40 Cb 1.25 -0.23 -0.07 0.00 -0.84 0.00 0.00 28.75 28.87 1wgk h GLU 40 CO 0.35 0.66 -0.26 -1.21 -1.40 0.00 0.00 179.01 177.15 1wgk s GLU 41 N -5.92 3.96 0.29 2.33 2.02 -1.26 -4.99 118.70 115.13 1wgk s GLU 41 Ca -0.12 0.28 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 1wgk s GLU 41 Cb 0.20 -3.28 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 1wgk s GLU 41 CO 0.80 0.56 1.24 -1.25 0.02 0.00 0.00 175.26 176.64 1wgk s PRO 42 N -0.60 4.45 -0.25 0.39 0.04 -1.26 -4.93 135.00 132.84 1wgk s PRO 42 Ca 0.21 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.03 1wgk s PRO 42 Cb -0.15 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1wgk s PRO 42 CO 0.10 -0.08 2.07 -1.58 0.04 0.00 0.00 177.00 177.55 1wgk s TRP 43 N -0.89 1.38 0.11 0.56 0.52 -1.26 -4.85 118.94 114.51 1wgk s TRP 43 Ca 0.49 0.55 0.01 0.00 0.02 0.00 0.00 56.10 57.17 1wgk s TRP 43 Cb -0.37 -4.00 -0.04 0.00 -1.15 0.00 0.00 33.47 27.92 1wgk s TRP 43 CO 0.46 -3.74 0.25 -0.51 0.02 0.00 0.00 176.95 173.44 1wgk s ASP 44 N 7.47 6.34 0.11 2.95 1.11 -1.26 -0.34 116.67 133.05 1wgk s ASP 44 Ca 0.93 0.21 -0.21 0.00 0.18 0.00 0.00 52.55 53.66 1wgk s ASP 44 Cb -0.30 -1.93 -0.05 0.00 1.07 0.00 0.00 42.92 41.72 1wgk s ASP 44 CO 0.35 0.10 1.19 -0.38 1.18 0.00 0.00 175.17 177.60 1wgk n ILE 45 N -0.21 -0.46 -0.32 0.77 2.08 -1.15 0.86 119.36 120.94 1wgk n ILE 45 Ca -0.06 1.85 0.15 0.00 0.56 0.00 0.00 62.75 65.25 1wgk n ILE 45 Cb 0.53 -2.31 0.29 0.00 -0.75 0.00 0.00 39.64 37.39 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 -4.63 -0.07 -0.03 0.38 1.85 -1.26 0.42 116.66 113.31 1wgk n ARG 46 Ca 0.01 1.37 -0.15 0.00 -1.00 0.00 0.00 57.85 58.09 1wgk n ARG 46 Cb 0.18 -2.20 -0.09 0.00 -1.05 0.00 0.00 32.46 29.29 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 0.37 -0.44 2.89 4.21 0.17 -3.32 115.58 119.47 1wgk h ASN 47 Ca 0.57 -0.64 0.08 0.00 1.21 0.00 0.00 56.30 57.51 1wgk h ASN 47 Cb 1.20 -0.11 -0.09 0.00 -1.12 0.00 0.00 38.32 38.20 1wgk h ASN 47 CO -0.86 0.95 -0.40 0.25 -1.29 0.00 0.00 177.43 176.09 1wgk h LEU 48 N -0.19 -1.33 -0.33 1.61 5.85 0.27 -2.49 115.31 118.70 1wgk h LEU 48 Ca -0.02 0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1wgk h LEU 48 Cb 0.94 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 1wgk h LEU 48 CO 0.06 -0.35 -0.20 0.18 -0.34 0.00 0.00 178.44 177.80 1wgk n LEU 49 N -5.42 -0.35 0.00 2.25 7.99 -0.28 -1.53 117.00 119.65 1wgk n LEU 49 Ca 0.00 1.04 0.00 0.00 -0.01 0.00 0.00 56.01 57.05 1wgk n LEU 49 Cb 0.35 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1wgk n LEU 49 CO 0.04 -0.71 0.37 0.52 -1.51 0.00 0.00 177.39 176.10 1wgk n VAL 50 N -3.71 0.00 -0.29 4.08 0.31 -0.94 0.10 118.33 117.88 1wgk n VAL 50 Ca 0.01 1.11 -0.08 0.00 -0.01 0.00 0.00 64.34 65.37 1wgk n VAL 50 Cb 0.09 -1.49 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 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 -1.37 -1.02 3.52 7.01 -1.30 1.87 115.95 124.67 1wgk h TRP 51 Ca 0.00 0.09 0.25 0.00 2.11 0.00 0.00 58.89 61.34 1wgk h TRP 51 Cb 0.00 0.69 -0.09 0.00 -2.10 0.00 0.00 29.16 27.66 1wgk h TRP 51 CO -0.67 -0.27 0.65 0.82 -2.79 0.00 0.00 178.44 176.18 1wgk h ILE 52 N -0.02 0.56 0.00 2.65 2.04 -0.44 1.00 117.51 123.30 1wgk h ILE 52 Ca 0.11 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1wgk h ILE 52 Cb 0.31 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1wgk h ILE 52 CO -0.67 0.08 -0.38 0.29 0.00 0.00 0.00 178.15 177.48 1wgk n LYS 53 N -4.64 0.19 -0.02 2.37 5.02 0.25 0.14 118.16 121.47 1wgk n LYS 53 Ca 0.24 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.61 1wgk n LYS 53 Cb 0.82 -1.65 -0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1wgk n LYS 53 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1wgk h LYS 54 N 0.00 0.00 0.00 1.97 1.57 1.02 -3.40 116.57 117.73 1wgk h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wgk h LYS 54 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1wgk h LYS 54 CO 0.00 0.00 -0.02 -0.91 -0.57 0.00 0.00 179.45 177.95 1wgk h ASN 55 N -0.26 0.00 -1.32 0.86 2.35 -0.77 -3.38 115.58 113.06 1wgk h ASN 55 Ca 0.00 0.00 0.47 0.00 -0.55 0.00 0.00 56.30 56.22 1wgk h ASN 55 Cb 0.13 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.35 1wgk h ASN 55 CO 0.00 0.03 0.83 0.25 -1.65 0.00 0.00 177.43 176.89 1wgk h LEU 56 N -0.04 0.22 -9.51 1.61 5.85 -1.59 -3.36 115.31 108.49 1wgk h LEU 56 Ca 0.00 0.17 -0.62 0.00 0.84 0.00 0.00 57.88 58.28 1wgk h LEU 56 Cb 0.02 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1wgk h LEU 56 CO 0.00 -0.29 -0.32 -0.22 -0.34 0.00 0.00 178.44 177.27 1wgk s LEU 57 N -9.65 4.36 0.00 2.25 2.96 0.38 -4.15 118.68 114.83 1wgk s LEU 57 Ca -0.08 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1wgk s LEU 57 Cb 0.32 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.63 1wgk s LEU 57 CO 0.82 0.25 0.04 0.29 -1.32 0.00 0.00 176.35 176.43 1wgk n LYS 58 N 2.59 4.24 -3.24 1.98 4.76 -1.10 -4.47 118.16 122.92 1wgk n LYS 58 Ca -0.15 -0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.04 1wgk n LYS 58 Cb 0.53 -0.41 0.05 0.00 -1.84 0.00 0.00 35.03 33.36 1wgk n LYS 58 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wgk s GLU 59 N -0.62 2.23 0.07 1.97 2.02 -1.25 -5.04 118.70 118.08 1wgk s GLU 59 Ca 0.00 -1.79 -0.31 0.00 0.02 0.00 0.00 54.97 52.88 1wgk s GLU 59 Cb 0.00 -2.50 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 1wgk s GLU 59 CO 0.00 -0.89 1.88 0.54 0.02 0.00 0.00 175.26 176.81 1wgk n ARG 60 N -2.19 2.72 -0.03 1.61 3.00 -1.26 -4.90 116.66 115.61 1wgk n ARG 60 Ca 0.12 0.99 -0.13 0.00 -0.01 0.00 0.00 57.85 58.83 1wgk n ARG 60 Cb 0.63 -2.90 -0.09 0.00 0.00 0.00 0.00 32.46 30.10 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 9.18 0.15 -1.17 5.56 0.13 -1.92 -3.19 132.00 140.75 1wgk h PRO 61 Ca -0.48 -0.08 0.44 0.00 -0.87 0.00 0.00 66.00 65.01 1wgk h PRO 61 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 1wgk h PRO 61 CO 0.94 0.60 0.69 0.93 -0.23 0.00 0.00 178.00 180.93 1wgk h GLU 62 N -0.29 0.02 0.25 0.86 4.39 -1.84 0.96 114.58 118.94 1wgk h GLU 62 Ca 0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1wgk h GLU 62 Cb 0.57 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1wgk h GLU 62 CO 0.02 0.01 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.68 1wgk h LEU 63 N 0.02 -0.29 0.12 1.33 4.07 -1.95 -3.38 115.31 115.23 1wgk h LEU 63 Ca 0.86 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.62 1wgk h LEU 63 Cb 2.48 0.07 0.00 0.00 1.08 0.00 0.00 40.66 44.30 1wgk h LEU 63 CO -0.63 0.06 -0.06 0.15 -1.08 0.00 0.00 178.44 176.88 1wgk h PHE 64 N -0.66 -0.15 -3.65 1.13 3.57 -0.26 -3.48 116.94 113.43 1wgk h PHE 64 Ca -0.03 -0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.11 1wgk h PHE 64 Cb 0.46 0.05 -0.18 0.00 2.79 0.00 0.00 35.95 39.08 1wgk h PHE 64 CO 0.02 -0.09 -0.74 0.42 -2.23 0.00 0.00 178.31 175.69 1wgk s ILE 65 N -2.06 1.09 -0.29 1.41 1.01 0.29 -4.39 121.20 118.27 1wgk s ILE 65 Ca -0.02 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1wgk s ILE 65 Cb 0.00 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.12 1wgk s ILE 65 CO 0.07 -0.52 0.05 -1.58 0.00 0.00 0.00 174.94 172.96 1wgk s GLN 66 N -2.79 1.07 0.00 2.79 -0.44 -1.25 -2.52 119.66 116.52 1wgk s GLN 66 Ca 0.07 -1.14 0.00 0.00 -2.50 0.00 0.00 55.36 51.79 1wgk s GLN 66 Cb -0.03 -2.38 0.00 0.00 -1.64 0.00 0.00 33.01 28.95 1wgk s GLN 66 CO 0.01 -0.85 0.00 0.41 0.50 0.00 0.00 175.29 175.36 1wgk n GLY 67 N 4.71 -1.86 0.29 2.59 0.00 -1.26 -4.45 105.19 105.21 1wgk n GLY 67 Ca -0.04 -2.07 0.18 0.00 0.00 0.00 0.00 46.02 44.10 1wgk n GLY 67 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgk h ASP 68 N 0.00 0.00 -1.92 1.61 2.03 -1.98 -3.44 116.42 112.72 1wgk h ASP 68 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 1wgk h ASP 68 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1wgk h ASP 68 CO 0.00 0.00 -0.47 -0.55 -1.03 0.00 0.00 179.24 177.19 1wgk s SER 69 N -5.59 5.29 0.27 4.15 0.15 -1.26 -4.58 113.70 112.13 1wgk s SER 69 Ca -0.00 -0.47 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 1wgk s SER 69 Cb 0.10 -1.04 -0.09 0.00 -1.71 0.00 0.00 66.02 63.28 1wgk s SER 69 CO 0.52 -0.29 1.01 0.68 1.20 0.00 0.00 173.24 176.36 1wgk s VAL 70 N -2.28 3.81 0.99 4.45 -7.23 -1.26 -3.92 120.40 114.96 1wgk s VAL 70 Ca 0.39 1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 62.20 1wgk s VAL 70 Cb -0.06 -4.11 0.02 0.00 0.56 0.00 0.00 36.38 32.79 1wgk s VAL 70 CO 0.26 0.39 0.14 0.54 -0.31 0.00 0.00 175.10 176.12 1wgk n ARG 71 N 1.22 -0.49 0.00 4.82 1.74 -1.26 -4.80 116.66 117.89 1wgk n ARG 71 Ca -0.01 -0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.01 1wgk n ARG 71 Cb 0.46 -1.71 0.32 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.18 0.49 -0.05 5.56 -0.04 -1.26 -2.86 135.00 135.67 1wgk n PRO 72 Ca 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1wgk n PRO 72 Cb 0.56 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.23 3.67 0.55 0.00 -1.26 -4.98 105.19 102.92 1wgk n GLY 73 Ca 0.08 -0.09 -0.42 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 -2.20 3.65 -0.39 -0.61 -1.09 -1.13 -3.93 121.20 115.49 1wgk s ILE 74 Ca -0.10 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.10 1wgk s ILE 74 Cb 0.03 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1wgk s ILE 74 CO 0.26 -0.04 0.34 -0.76 -1.23 0.00 0.00 174.94 173.51 1wgk s LEU 75 N 3.15 4.84 0.25 2.97 1.43 -0.06 -4.73 118.68 126.53 1wgk s LEU 75 Ca 0.67 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1wgk s LEU 75 Cb -0.32 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1wgk s LEU 75 CO 0.27 -0.43 0.38 0.68 0.23 0.00 0.00 176.35 177.48 1wgk s VAL 76 N 1.86 5.24 -0.20 -1.59 -7.23 -1.26 -0.37 120.40 116.86 1wgk s VAL 76 Ca 0.08 -0.84 -0.09 0.00 -1.81 0.00 0.00 61.98 59.32 1wgk s VAL 76 Cb -0.18 -3.84 0.08 0.00 0.56 0.00 0.00 36.38 33.00 1wgk s VAL 76 CO 0.11 -0.33 0.46 -0.76 -0.31 0.00 0.00 175.10 174.27 1wgk s LEU 77 N -3.92 -0.46 -0.31 1.32 1.43 0.46 -4.14 118.68 113.06 1wgk s LEU 77 Ca 0.35 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.35 1wgk s LEU 77 Cb -0.09 1.52 -0.02 0.00 0.03 0.00 0.00 46.19 47.62 1wgk s LEU 77 CO 0.30 -0.21 0.34 -0.63 0.23 0.00 0.00 176.35 176.38 1wgk s ILE 78 N 1.98 5.19 -1.51 -0.59 1.01 -0.12 -0.73 121.20 126.41 1wgk s ILE 78 Ca -0.06 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 1wgk s ILE 78 Cb -0.10 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1wgk s ILE 78 CO -0.14 0.03 0.58 0.59 0.00 0.00 0.00 174.94 176.00 1wgk n ASN 79 N 5.33 -1.65 -3.13 3.58 3.02 -0.25 -1.27 115.26 120.89 1wgk n ASN 79 Ca -0.10 -0.99 -0.15 0.00 -0.03 0.00 0.00 54.58 53.32 1wgk n ASN 79 Cb 0.50 -3.03 0.08 0.00 -0.61 0.00 0.00 39.78 36.72 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 -2.87 -2.11 -3.64 6.41 9.92 -1.26 -5.02 116.55 117.98 1wgk n ASP 80 Ca -0.16 -0.54 -0.03 0.00 -0.53 0.00 0.00 54.79 53.53 1wgk n ASP 80 Cb 0.61 -4.56 -0.05 0.00 -0.64 0.00 0.00 41.12 36.48 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 -3.32 -2.02 -0.21 2.24 0.00 -0.40 -5.12 121.76 112.93 1wgk s ALA 81 Ca 0.01 2.37 -0.42 0.00 0.00 0.00 0.00 51.96 53.92 1wgk s ALA 81 Cb -0.00 -1.67 -0.18 0.00 0.00 0.00 0.00 23.12 21.27 1wgk s ALA 81 CO 0.64 -0.73 1.46 -0.25 0.00 0.00 0.00 175.76 176.88 1wgk n ASP 82 N 5.01 1.31 0.30 0.00 8.00 -1.26 -0.95 116.55 128.96 1wgk n ASP 82 Ca -0.15 1.14 0.19 0.00 0.71 0.00 0.00 54.79 56.68 1wgk n ASP 82 Cb 0.53 -1.02 0.88 0.00 -0.02 0.00 0.00 41.12 41.49 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 5.02 0.00 -0.22 1.24 5.08 -1.91 -2.51 115.95 122.64 1wgk h TRP 83 Ca -0.47 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.34 1wgk h TRP 83 Cb 1.36 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.52 1wgk h TRP 83 CO 0.65 0.01 -0.52 0.93 -1.28 0.00 0.00 178.44 178.23 1wgk h GLU 84 N 0.00 0.64 -0.57 0.12 5.08 -1.88 0.40 114.58 118.38 1wgk h GLU 84 Ca -0.00 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.87 1wgk h GLU 84 Cb 0.33 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1wgk h GLU 84 CO 0.00 1.01 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.90 1wgk h LEU 85 N 0.50 1.01 0.00 1.33 4.07 -1.81 -3.36 115.31 117.05 1wgk h LEU 85 Ca 0.02 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1wgk h LEU 85 Cb 1.08 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1wgk h LEU 85 CO 0.10 1.09 -0.10 -0.07 -1.08 0.00 0.00 178.44 178.38 1wgk h LEU 86 N 0.92 0.00 0.00 1.67 3.38 -1.53 -3.49 115.31 116.27 1wgk h LEU 86 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wgk h LEU 86 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1wgk h LEU 86 CO 0.04 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1wgk n GLY 87 N 1.80 -1.60 0.28 0.83 0.00 0.11 -4.73 105.19 101.89 1wgk n GLY 87 Ca -0.01 0.99 -0.04 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.23 0.00 1.61 1.02 0.50 -1.15 120.64 122.39 1wgk n GLU 88 Ca 0.00 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1wgk n GLU 88 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 -4.97 0.00 0.27 -4.62 4.77 -1.26 -4.47 117.00 106.72 1wgk n LEU 89 Ca 0.04 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1wgk n LEU 89 Cb 0.24 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.99 1wgk n LEU 89 CO -0.10 0.00 0.95 0.44 -1.33 0.00 0.00 177.39 177.35 1wgk h ASP 90 N 0.00 0.00 -3.99 -1.43 3.32 -1.91 -3.39 116.42 109.02 1wgk h ASP 90 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1wgk h ASP 90 Cb 0.31 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.96 1wgk h ASP 90 CO 0.00 0.08 0.58 -0.47 -1.72 0.00 0.00 179.24 177.70 1wgk s TYR 91 N -3.76 2.69 -0.37 4.55 6.14 -0.30 -4.95 117.35 121.34 1wgk s TYR 91 Ca 0.00 1.43 0.00 0.00 0.64 0.00 0.00 57.07 59.15 1wgk s TYR 91 Cb 0.10 -3.63 0.10 0.00 0.42 0.00 0.00 41.96 38.95 1wgk s TYR 91 CO 0.56 -2.15 0.12 -0.65 0.64 0.00 0.00 175.55 174.07 1wgk s GLN 92 N -2.54 1.81 0.29 4.97 -0.21 -1.26 -2.95 119.66 119.76 1wgk s GLN 92 Ca 0.63 -1.80 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 1wgk s GLN 92 Cb -0.36 -3.38 -0.12 0.00 1.00 0.00 0.00 33.01 30.15 1wgk s GLN 92 CO 0.45 -0.97 1.60 1.28 -2.12 0.00 0.00 175.29 175.53 1wgk n LEU 93 N 4.44 4.34 0.00 2.90 4.77 0.53 -4.94 117.00 129.05 1wgk n LEU 93 Ca -0.01 1.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.96 1wgk n LEU 93 Cb 0.42 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 1wgk n LEU 93 CO 0.28 0.15 -0.04 0.00 -1.33 0.00 0.00 177.39 176.44 1wgk n GLN 94 N 2.24 1.21 -1.56 3.23 1.13 -1.26 -4.12 117.38 118.25 1wgk n GLN 94 Ca 0.09 -1.86 -0.32 0.00 -1.94 0.00 0.00 57.00 52.96 1wgk n GLN 94 Cb 0.37 0.35 0.06 0.00 0.11 0.00 0.00 30.24 31.13 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 -2.58 4.86 -1.31 1.08 -1.08 -1.26 -3.74 116.67 112.64 1wgk s ASP 95 Ca 0.08 1.93 -0.00 0.00 -0.52 0.00 0.00 52.55 54.04 1wgk s ASP 95 Cb -0.01 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1wgk s ASP 95 CO 0.05 -1.79 0.66 0.00 0.52 0.00 0.00 175.17 174.61 1wgk n GLN 96 N -2.85 -4.59 -3.75 4.34 3.00 -0.82 -4.96 117.38 107.74 1wgk n GLN 96 Ca 0.10 0.59 -0.25 0.00 -0.01 0.00 0.00 57.00 57.42 1wgk n GLN 96 Cb 0.52 -5.07 0.01 0.00 0.00 0.00 0.00 30.24 25.70 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 -4.35 4.70 -0.16 1.08 1.11 -1.19 -4.99 116.67 112.87 1wgk s ASP 97 Ca 0.01 -1.19 -0.07 0.00 0.18 0.00 0.00 52.55 51.48 1wgk s ASP 97 Cb -0.00 0.43 0.07 0.00 1.07 0.00 0.00 42.92 44.48 1wgk s ASP 97 CO 0.82 -1.16 0.36 -0.55 1.18 0.00 0.00 175.17 175.82 1wgk s SER 98 N -4.35 -0.18 -0.03 0.27 0.15 -1.26 -0.43 113.70 107.87 1wgk s SER 98 Ca 0.38 0.81 0.06 0.00 0.70 0.00 0.00 55.95 57.90 1wgk s SER 98 Cb -0.03 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.17 1wgk s SER 98 CO 0.24 -0.21 -0.21 -0.63 1.20 0.00 0.00 173.24 173.62 1wgk s ILE 99 N 2.06 2.46 -0.05 6.45 -1.09 0.22 -1.09 121.20 130.16 1wgk s ILE 99 Ca -0.04 -0.95 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1wgk s ILE 99 Cb -0.11 -1.90 -0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1wgk s ILE 99 CO -0.11 0.58 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.76 1wgk s LEU 100 N -0.65 1.97 -0.08 2.97 2.96 0.09 -1.02 118.68 124.91 1wgk s LEU 100 Ca 0.10 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1wgk s LEU 100 Cb -0.10 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1wgk s LEU 100 CO -0.00 0.18 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.68 1wgk s PHE 101 N 0.04 1.85 -0.04 5.38 0.40 -0.36 -0.41 117.98 124.84 1wgk s PHE 101 Ca -0.06 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.59 1wgk s PHE 101 Cb -0.13 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 1wgk s PHE 101 CO 0.03 -0.35 -0.24 0.42 0.70 0.00 0.00 175.22 175.78 1wgk s ILE 102 N 0.64 2.21 -0.35 0.64 1.01 0.51 -1.33 121.20 124.53 1wgk s ILE 102 Ca -0.14 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 1wgk s ILE 102 Cb -0.16 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1wgk s ILE 102 CO 0.04 0.58 0.21 -0.44 0.00 0.00 0.00 174.94 175.33 1wgk s SER 103 N -0.43 5.81 -0.28 3.58 0.01 -1.12 -0.88 113.70 120.40 1wgk s SER 103 Ca 0.04 -0.67 0.15 0.00 1.31 0.00 0.00 55.95 56.79 1wgk s SER 103 Cb -0.12 -2.07 0.48 0.00 0.21 0.00 0.00 66.02 64.53 1wgk s SER 103 CO 0.01 -0.29 1.14 1.07 0.41 0.00 0.00 173.24 175.58 1wgk n THR 104 N 5.05 1.87 -3.61 1.44 5.66 -1.25 -4.83 114.28 118.61 1wgk n THR 104 Ca -0.13 -3.58 -0.25 0.00 -3.05 0.00 0.00 64.05 57.04 1wgk n THR 104 Cb 0.48 0.10 -0.17 0.00 -1.55 0.00 0.00 70.33 69.19 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 -3.69 0.31 0.48 1.09 2.96 -1.26 -4.92 118.68 113.66 1wgk s LEU 105 Ca 0.39 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.56 1wgk s LEU 105 Cb 0.37 -0.21 -0.08 0.00 0.50 0.00 0.00 46.19 46.77 1wgk s LEU 105 CO -0.01 -0.35 0.94 -2.28 -1.32 0.00 0.00 176.35 173.34 1wgk s HIS 106 N 2.15 3.44 0.05 5.38 5.65 -1.26 -5.00 115.29 125.69 1wgk s HIS 106 Ca 0.02 1.41 -0.16 0.00 0.25 0.00 0.00 55.06 56.58 1wgk s HIS 106 Cb -0.16 -2.73 -0.07 0.00 -1.18 0.00 0.00 32.58 28.44 1wgk s HIS 106 CO -0.09 -0.28 1.26 0.78 -0.65 0.00 0.00 174.74 175.76 1wgk h GLY 107 N 1.13 -1.23 0.00 1.59 0.00 -2.00 -3.49 103.07 99.08 1wgk h GLY 107 Ca -0.47 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1wgk h GLY 107 CO 0.62 -0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1wgk n GLY 108 N -1.23 -1.60 3.59 4.60 0.00 -1.26 -5.09 105.19 104.19 1wgk n GLY 108 Ca -0.04 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 1wgk n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgk s SER 109 N -4.00 6.53 -0.31 1.61 0.01 -1.26 -4.86 113.70 111.43 1wgk s SER 109 Ca 0.00 0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.41 1wgk s SER 109 Cb 0.00 -2.54 0.21 0.00 0.21 0.00 0.00 66.02 63.90 1wgk s SER 109 CO 0.00 -1.33 1.17 -0.83 0.41 0.00 0.00 173.24 172.66 1wgk s GLY 110 N 2.66 -1.96 0.59 3.44 0.00 -1.26 -5.16 107.32 105.63 1wgk s GLY 110 Ca 0.44 0.96 -0.18 0.00 0.00 0.00 0.00 44.72 45.94 1wgk s GLY 110 CO 0.28 4.45 1.12 2.56 0.00 0.00 0.00 173.10 181.51 1wgk s PRO 111 N 1.22 3.13 0.35 2.90 0.04 -1.26 -5.06 135.00 136.32 1wgk s PRO 111 Ca 0.20 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 1wgk s PRO 111 Cb 0.13 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1wgk s PRO 111 CO -0.13 -1.01 0.54 -1.13 0.04 0.00 0.00 177.00 175.31 1wgk n SER 112 N -1.77 -1.53 -3.65 6.66 3.41 -1.26 -5.17 113.62 110.31 1wgk n SER 112 Ca 0.11 -2.78 -0.04 0.00 -0.26 0.00 0.00 58.87 55.90 1wgk n SER 112 Cb 0.51 2.76 -0.06 0.00 -0.26 0.00 0.00 64.21 67.16 1wgk n SER 112 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wgk s SER 113 N -3.09 -0.87 0.00 4.04 0.15 -1.26 -5.36 113.70 107.31 1wgk s SER 113 Ca 0.25 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1wgk s SER 113 Cb -0.02 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.20 1wgk s SER 113 CO 0.18 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.01