#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 7.17 0.27 1.61 0.15 -1.26 -5.05 113.70 116.58 1wgk s SER 2 Ca 0.00 1.42 0.10 0.00 0.70 0.00 0.00 55.95 58.18 1wgk s SER 2 Cb 0.00 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1wgk s SER 2 CO 0.00 -0.33 -0.17 -0.55 1.20 0.00 0.00 173.24 173.39 1wgk s SER 3 N 1.04 3.30 0.00 5.45 0.15 -1.26 -5.13 113.70 117.24 1wgk s SER 3 Ca 0.45 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1wgk s SER 3 Cb -0.18 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1wgk s SER 3 CO 0.19 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1wgk n GLY 4 N -0.57 2.03 3.54 9.45 0.00 -1.26 -4.99 105.19 113.40 1wgk n GLY 4 Ca -0.06 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1wgk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgk n SER 5 N 0.00 1.71 -4.09 1.61 7.64 -1.26 -2.31 113.62 116.91 1wgk n SER 5 Ca 0.00 -0.75 -0.34 0.00 1.01 0.00 0.00 58.87 58.80 1wgk n SER 5 Cb 0.00 -1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 61.72 1wgk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgk n SER 6 N 15.62 -3.76 -4.38 6.43 7.64 -1.26 -4.89 113.62 129.02 1wgk n SER 6 Ca 0.45 -0.92 -0.45 0.00 1.01 0.00 0.00 58.87 58.96 1wgk n SER 6 Cb 0.43 -3.21 -0.04 0.00 -1.01 0.00 0.00 64.21 60.37 1wgk n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgk s GLY 7 N -3.35 1.81 0.86 0.23 0.00 -0.98 -5.04 107.32 100.86 1wgk s GLY 7 Ca 0.68 -2.31 -0.16 0.00 0.00 0.00 0.00 44.72 42.93 1wgk s GLY 7 CO 0.89 1.61 -0.66 1.03 0.00 0.00 0.00 173.10 175.97 1wgk n MET 8 N 6.28 0.00 -4.09 2.90 0.00 -1.26 -4.91 117.12 116.03 1wgk n MET 8 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.39 1wgk n MET 8 Cb 0.43 -0.93 -0.05 0.00 0.00 0.00 0.00 33.22 32.67 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 -1.87 3.58 0.36 3.04 0.00 -1.26 -4.99 121.76 120.63 1wgk s ALA 9 Ca 0.40 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1wgk s ALA 9 Cb -0.21 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1wgk s ALA 9 CO 0.75 0.44 0.54 0.00 0.00 0.00 0.00 175.76 177.50 1wgk s ALA 10 N -1.84 3.90 0.10 0.00 0.00 -1.26 -3.77 121.76 118.89 1wgk s ALA 10 Ca 0.31 -1.16 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 1wgk s ALA 10 Cb -0.10 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 1wgk s ALA 10 CO 0.24 -0.11 1.37 -1.25 0.00 0.00 0.00 175.76 176.01 1wgk s PRO 11 N -4.31 4.33 0.04 0.00 0.04 -1.26 -4.04 135.00 129.80 1wgk s PRO 11 Ca 0.43 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1wgk s PRO 11 Cb -0.10 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1wgk s PRO 11 CO 0.34 -0.43 0.12 -0.48 0.04 0.00 0.00 177.00 176.59 1wgk s LEU 12 N 1.23 4.01 -0.02 -3.56 2.34 0.81 -4.87 118.68 118.62 1wgk s LEU 12 Ca 0.64 0.14 0.05 0.00 0.06 0.00 0.00 54.13 55.01 1wgk s LEU 12 Cb -0.35 -2.53 -0.03 0.00 -0.56 0.00 0.00 46.19 42.72 1wgk s LEU 12 CO 0.30 0.21 -0.15 0.00 -1.06 0.00 0.00 176.35 175.65 1wgk s VAL 14 N -0.81 0.22 -0.32 0.00 -7.23 0.14 0.17 120.40 112.57 1wgk s VAL 14 Ca 0.13 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 1wgk s VAL 14 Cb -0.11 -0.33 -0.01 0.00 0.56 0.00 0.00 36.38 36.49 1wgk s VAL 14 CO 0.02 -0.39 0.48 -0.54 -0.31 0.00 0.00 175.10 174.36 1wgk s LYS 15 N -1.28 3.73 -0.19 4.82 1.02 0.69 -1.08 119.74 127.45 1wgk s LYS 15 Ca -0.12 -0.09 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 1wgk s LYS 15 Cb -0.09 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.44 1wgk s LYS 15 CO -0.00 -0.54 -0.03 0.08 -0.92 0.00 0.00 175.35 173.94 1wgk s VAL 16 N 2.29 3.72 0.04 3.17 1.01 -0.42 -0.39 120.40 129.82 1wgk s VAL 16 Ca 0.18 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1wgk s VAL 16 Cb -0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1wgk s VAL 16 CO 0.12 0.45 -0.22 -0.70 0.00 0.00 0.00 175.10 174.75 1wgk s GLU 17 N 0.88 1.52 0.04 2.72 2.12 0.20 0.07 118.70 126.24 1wgk s GLU 17 Ca -0.00 -0.96 0.08 0.00 0.36 0.00 0.00 54.97 54.45 1wgk s GLU 17 Cb -0.14 -1.63 -0.03 0.00 0.26 0.00 0.00 34.13 32.59 1wgk s GLU 17 CO 0.02 0.42 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.86 1wgk s PHE 18 N -0.77 2.10 0.00 5.30 0.40 -1.13 -1.91 117.98 121.97 1wgk s PHE 18 Ca 0.08 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1wgk s PHE 18 Cb -0.09 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.17 1wgk s PHE 18 CO 0.02 0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.44 1wgk n GLY 19 N 1.89 -2.18 3.63 4.36 0.00 -0.71 -4.63 105.19 107.55 1wgk n GLY 19 Ca -0.17 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 1wgk n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgk s GLY 20 N 0.00 1.95 0.00 -0.02 0.00 -1.26 -4.02 107.32 103.97 1wgk s GLY 20 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1wgk s GLY 20 CO 0.00 1.04 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1wgk n GLY 21 N 4.26 3.30 0.24 0.20 0.00 -1.26 -4.76 105.19 107.17 1wgk n GLY 21 Ca -0.06 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 0.61 -0.96 4.61 0.00 -1.92 -3.07 119.26 118.53 1wgk h ALA 22 Ca 0.00 -0.29 0.34 0.00 0.00 0.00 0.00 54.91 54.97 1wgk h ALA 22 Cb 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 17.79 17.45 1wgk h ALA 22 CO 0.00 0.43 0.31 -0.85 0.00 0.00 0.00 179.25 179.14 1wgk n GLU 23 N -4.35 -0.07 -0.28 0.00 0.28 -1.26 0.16 120.64 115.13 1wgk n GLU 23 Ca -0.00 1.37 0.02 0.00 -0.16 0.00 0.00 57.16 58.39 1wgk n GLU 23 Cb 0.32 -2.33 0.15 0.00 1.43 0.00 0.00 31.44 31.01 1wgk n GLU 23 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1wgk h LEU 24 N 0.00 0.62 0.00 -1.84 3.38 -1.85 0.32 115.31 115.95 1wgk h LEU 24 Ca 0.72 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.73 1wgk h LEU 24 Cb 1.75 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1wgk h LEU 24 CO -0.80 0.36 0.00 0.18 0.09 0.00 0.00 178.44 178.27 1wgk n LEU 25 N -4.77 0.00 -3.65 1.67 4.77 0.43 -3.14 117.00 112.30 1wgk n LEU 25 Ca 0.12 0.46 -0.29 0.00 -0.03 0.00 0.00 56.01 56.28 1wgk n LEU 25 Cb 0.26 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 1wgk n LEU 25 CO 0.27 -0.39 -0.23 -0.36 -1.33 0.00 0.00 177.39 175.35 1wgk s PHE 26 N -2.92 1.98 0.00 -1.77 0.40 0.96 -3.88 117.98 112.74 1wgk s PHE 26 Ca 0.03 -2.51 0.00 0.00 -0.60 0.00 0.00 56.93 53.84 1wgk s PHE 26 Cb 0.03 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1wgk s PHE 26 CO 0.08 -0.75 0.00 -3.47 0.70 0.00 0.00 175.22 171.78 1wgk n ASP 27 N 3.13 -0.75 -3.83 1.36 2.03 -1.24 -1.86 116.55 115.38 1wgk n ASP 27 Ca 0.16 0.37 -0.27 0.00 0.52 0.00 0.00 54.79 55.57 1wgk n ASP 27 Cb 0.38 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wgk n GLY 28 N -0.37 -1.27 2.97 0.27 0.00 -0.11 -4.96 105.19 101.71 1wgk n GLY 28 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 1wgk n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgk s VAL 29 N -3.05 0.08 -0.00 1.61 1.01 -0.78 -4.87 120.40 114.41 1wgk s VAL 29 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1wgk s VAL 29 Cb -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 1wgk s VAL 29 CO 0.91 -0.35 0.63 0.11 0.00 0.00 0.00 175.10 176.39 1wgk h LYS 30 N 5.00 -0.03 -5.55 2.72 6.56 -1.90 -3.43 116.57 119.94 1wgk h LYS 30 Ca -0.30 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.64 1wgk h LYS 30 Cb 1.21 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.78 1wgk h LYS 30 CO 0.43 -0.02 -0.50 0.15 -2.06 0.00 0.00 179.45 177.45 1wgk s LYS 31 N -2.30 3.63 -0.11 3.15 1.02 -1.26 -2.83 119.74 121.03 1wgk s LYS 31 Ca -0.00 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1wgk s LYS 31 Cb 0.00 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1wgk s LYS 31 CO 0.01 0.63 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.93 1wgk s HIS 32 N -0.59 1.87 -0.25 3.18 3.76 0.11 -4.99 115.29 118.37 1wgk s HIS 32 Ca 0.12 -0.91 -0.27 0.00 -0.15 0.00 0.00 55.06 53.86 1wgk s HIS 32 Cb -0.12 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.19 1wgk s HIS 32 CO 0.02 -0.50 0.93 -0.65 -0.85 0.00 0.00 174.74 173.69 1wgk s GLN 33 N 1.18 4.18 -0.03 1.40 -1.52 -1.26 -1.31 119.66 122.31 1wgk s GLN 33 Ca -0.03 1.08 0.01 0.00 -1.95 0.00 0.00 55.36 54.47 1wgk s GLN 33 Cb -0.14 -3.66 -0.03 0.00 -0.22 0.00 0.00 33.01 28.95 1wgk s GLN 33 CO -0.04 -0.61 -0.02 0.08 -0.25 0.00 0.00 175.29 174.44 1wgk s VAL 34 N 3.07 4.02 -0.41 1.09 1.01 -0.24 -4.99 120.40 123.95 1wgk s VAL 34 Ca 0.39 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1wgk s VAL 34 Cb -0.15 -2.74 0.13 0.00 0.00 0.00 0.00 36.38 33.62 1wgk s VAL 34 CO 0.08 0.46 0.20 0.00 0.00 0.00 0.00 175.10 175.85 1wgk s ALA 35 N -0.98 2.12 0.42 5.51 0.00 -1.26 -0.69 121.76 126.88 1wgk s ALA 35 Ca 0.17 -2.46 -0.23 0.00 0.00 0.00 0.00 51.96 49.44 1wgk s ALA 35 Cb -0.11 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.06 1wgk s ALA 35 CO 0.07 -1.98 1.07 -0.51 0.00 0.00 0.00 175.76 174.41 1wgk s LEU 36 N 0.58 4.07 0.00 0.00 1.43 0.39 -4.86 118.68 120.29 1wgk s LEU 36 Ca 0.16 2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 55.19 1wgk s LEU 36 Cb -0.23 -4.25 0.20 0.00 0.03 0.00 0.00 46.19 41.94 1wgk s LEU 36 CO -0.04 -0.61 0.71 -0.81 0.23 0.00 0.00 176.35 175.83 1wgk n PRO 37 N -0.27 -2.39 -5.04 1.29 -0.04 -1.26 -0.13 135.00 127.15 1wgk n PRO 37 Ca 0.06 -1.13 -0.32 0.00 -0.04 0.00 0.00 63.50 62.07 1wgk n PRO 37 Cb 0.50 -1.06 -0.15 0.00 -0.04 0.00 0.00 33.50 32.75 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 -3.77 1.42 0.33 0.55 0.00 -1.26 -3.97 107.32 100.62 1wgk s GLY 38 Ca 0.46 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 44.08 1wgk s GLY 38 CO 0.35 -0.52 0.61 -0.86 0.00 0.00 0.00 173.10 172.68 1wgk s GLN 39 N -0.11 1.92 0.42 2.90 -2.07 -1.25 -4.64 119.66 116.83 1wgk s GLN 39 Ca -0.03 -1.44 0.11 0.00 -1.82 0.00 0.00 55.36 52.17 1wgk s GLN 39 Cb -0.14 0.53 0.90 0.00 -1.09 0.00 0.00 33.01 33.21 1wgk s GLN 39 CO 0.04 -0.84 1.99 1.05 -1.32 0.00 0.00 175.29 176.20 1wgk h GLU 40 N 2.10 0.23 -5.46 9.60 9.09 -1.93 -3.35 114.58 124.85 1wgk h GLU 40 Ca -0.28 -0.04 -0.64 0.00 0.05 0.00 0.00 59.36 58.46 1wgk h GLU 40 Cb 1.25 -0.04 -0.14 0.00 -1.65 0.00 0.00 28.75 28.17 1wgk h GLU 40 CO 0.37 0.29 -0.56 -1.21 0.05 0.00 0.00 179.01 177.95 1wgk s GLU 41 N -4.91 3.72 0.49 1.06 8.01 -1.26 -5.01 118.70 120.81 1wgk s GLU 41 Ca -0.06 -0.31 -0.22 0.00 0.01 0.00 0.00 54.97 54.39 1wgk s GLU 41 Cb 0.16 -3.14 -0.07 0.00 -4.31 0.00 0.00 34.13 26.77 1wgk s GLU 41 CO 0.72 0.44 1.15 -1.25 0.01 0.00 0.00 175.26 176.33 1wgk s PRO 42 N -0.10 3.61 -0.14 0.39 0.04 -1.26 -4.96 135.00 132.58 1wgk s PRO 42 Ca 0.07 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1wgk s PRO 42 Cb -0.12 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1wgk s PRO 42 CO 0.01 -0.66 1.50 -1.58 0.04 0.00 0.00 177.00 176.31 1wgk s TRP 43 N -1.63 2.32 0.15 0.56 0.52 -1.26 -4.92 118.94 114.68 1wgk s TRP 43 Ca 0.67 0.57 0.07 0.00 0.02 0.00 0.00 56.10 57.43 1wgk s TRP 43 Cb -0.27 -3.80 -0.04 0.00 -1.15 0.00 0.00 33.47 28.21 1wgk s TRP 43 CO 0.32 -2.85 -0.03 -0.51 0.02 0.00 0.00 176.95 173.90 1wgk s ASP 44 N 3.09 4.70 0.13 2.95 1.01 -1.26 -1.16 116.67 126.14 1wgk s ASP 44 Ca 0.66 -0.37 -0.17 0.00 0.71 0.00 0.00 52.55 53.38 1wgk s ASP 44 Cb -0.27 -0.99 0.05 0.00 1.01 0.00 0.00 42.92 42.73 1wgk s ASP 44 CO 0.24 0.12 1.08 -0.38 0.21 0.00 0.00 175.17 176.44 1wgk n ILE 45 N 0.16 -0.42 -0.30 0.77 2.08 -0.81 0.35 119.36 121.19 1wgk n ILE 45 Ca -0.11 1.66 -0.02 0.00 0.56 0.00 0.00 62.75 64.84 1wgk n ILE 45 Cb 0.54 -2.12 0.01 0.00 -0.75 0.00 0.00 39.64 37.32 1wgk n ILE 45 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1wgk n ARG 46 N -4.94 -0.21 -0.02 0.38 0.63 -1.26 -0.52 116.66 110.71 1wgk n ARG 46 Ca 0.04 1.16 -0.15 0.00 -0.92 0.00 0.00 57.85 57.98 1wgk n ARG 46 Cb 0.23 -1.72 -0.12 0.00 0.45 0.00 0.00 32.46 31.30 1wgk n ARG 46 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1wgk h ASN 47 N 0.00 0.23 -0.76 6.15 2.35 -0.41 -3.32 115.58 119.83 1wgk h ASN 47 Ca 0.23 -0.79 0.15 0.00 -0.55 0.00 0.00 56.30 55.34 1wgk h ASN 47 Cb 0.42 -0.07 -0.14 0.00 0.05 0.00 0.00 38.32 38.58 1wgk h ASN 47 CO -0.74 0.99 -0.19 -0.11 -1.65 0.00 0.00 177.43 175.73 1wgk n LEU 48 N -4.49 -0.28 0.09 1.61 7.94 0.43 -0.60 117.00 121.71 1wgk n LEU 48 Ca -0.10 1.30 -0.07 0.00 -1.11 0.00 0.00 56.01 56.04 1wgk n LEU 48 Cb 0.52 -0.39 -0.04 0.00 0.53 0.00 0.00 43.42 44.04 1wgk n LEU 48 CO 0.40 -1.25 0.51 -0.07 -1.11 0.00 0.00 177.39 175.86 1wgk h LEU 49 N 0.00 -0.55 -0.73 -1.96 -0.00 -1.33 -1.09 115.31 109.65 1wgk h LEU 49 Ca 0.36 0.05 0.21 0.00 -0.00 0.00 0.00 57.88 58.50 1wgk h LEU 49 Cb 0.55 0.19 -0.14 0.00 -0.00 0.00 0.00 40.66 41.26 1wgk h LEU 49 CO -0.78 -0.24 0.04 0.52 -0.00 0.00 0.00 178.44 177.98 1wgk n VAL 50 N -3.52 -0.31 0.17 1.22 0.31 0.23 0.78 118.33 117.22 1wgk n VAL 50 Ca -0.04 1.60 -0.14 0.00 -0.01 0.00 0.00 64.34 65.76 1wgk n VAL 50 Cb 0.17 -2.36 -0.08 0.00 -0.91 0.00 0.00 33.84 30.66 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 -0.40 0.00 3.52 7.01 -1.03 -2.41 115.95 122.63 1wgk h TRP 51 Ca 0.46 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.45 1wgk h TRP 51 Cb 0.97 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 1wgk h TRP 51 CO -0.35 -0.10 0.00 0.82 -2.79 0.00 0.00 178.44 176.02 1wgk h ILE 52 N -0.68 0.00 0.00 2.65 2.04 0.17 0.80 117.51 122.49 1wgk h ILE 52 Ca -0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1wgk h ILE 52 Cb 0.47 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1wgk h ILE 52 CO 0.07 0.00 -0.29 0.29 0.00 0.00 0.00 178.15 178.22 1wgk n LYS 53 N -3.01 0.15 0.01 2.37 5.02 0.23 -0.14 118.16 122.79 1wgk n LYS 53 Ca -0.02 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1wgk n LYS 53 Cb 0.14 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 -0.14 1.97 5.02 -0.03 -4.38 118.16 118.74 1wgk n LYS 54 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1wgk n LYS 54 Cb 0.39 -0.04 0.02 0.00 -0.02 0.00 0.00 35.03 35.38 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 -0.67 0.00 4.39 2.35 0.28 -3.25 115.58 118.69 1wgk h ASN 55 Ca 0.00 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1wgk h ASN 55 Cb 0.00 0.37 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1wgk h ASN 55 CO 0.00 -0.22 -0.08 0.25 -1.65 0.00 0.00 177.43 175.72 1wgk h LEU 56 N -0.10 0.00 -9.58 1.61 5.85 -1.62 -3.46 115.31 108.01 1wgk h LEU 56 Ca 0.21 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.41 1wgk h LEU 56 Cb 0.43 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1wgk h LEU 56 CO -0.51 0.44 0.57 -0.22 -0.34 0.00 0.00 178.44 178.38 1wgk s LEU 57 N -7.58 4.41 -0.00 2.25 2.96 0.81 -4.67 118.68 116.86 1wgk s LEU 57 Ca -0.02 2.16 0.07 0.00 -0.22 0.00 0.00 54.13 56.12 1wgk s LEU 57 Cb 0.00 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1wgk s LEU 57 CO 0.04 -0.43 0.28 0.29 -1.32 0.00 0.00 176.35 175.20 1wgk n LYS 58 N 3.18 3.89 -1.57 1.98 4.76 -1.25 -3.55 118.16 125.60 1wgk n LYS 58 Ca 0.07 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.37 1wgk n LYS 58 Cb 0.45 -0.89 0.07 0.00 -1.84 0.00 0.00 35.03 32.81 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 -1.27 0.15 -1.67 1.97 -0.58 -1.26 -4.99 120.64 112.98 1wgk n GLU 59 Ca 0.01 -1.39 -0.43 0.00 -0.42 0.00 0.00 57.16 54.94 1wgk n GLU 59 Cb 0.12 -0.38 -0.03 0.00 -0.57 0.00 0.00 31.44 30.58 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 -2.02 2.80 -0.03 3.49 5.12 -1.26 -4.90 116.66 119.86 1wgk n ARG 60 Ca 0.09 1.02 -0.13 0.00 -1.93 0.00 0.00 57.85 56.90 1wgk n ARG 60 Cb 0.31 -2.95 -0.09 0.00 -1.16 0.00 0.00 32.46 28.57 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 9.86 0.17 -1.14 5.56 0.13 -1.85 -3.17 132.00 141.56 1wgk h PRO 61 Ca -0.49 -0.09 0.36 0.00 -0.87 0.00 0.00 66.00 64.92 1wgk h PRO 61 Cb 1.24 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 1wgk h PRO 61 CO 0.94 0.61 0.71 1.05 -0.23 0.00 0.00 178.00 181.08 1wgk h GLU 62 N -0.26 0.22 0.38 0.86 4.11 -1.86 0.79 114.58 118.82 1wgk h GLU 62 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1wgk h GLU 62 Cb 0.58 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wgk h GLU 62 CO 0.02 0.14 -0.18 -0.07 0.07 0.00 0.00 179.01 178.99 1wgk h LEU 63 N 0.22 -0.44 0.25 3.06 4.07 -1.95 -3.37 115.31 117.16 1wgk h LEU 63 Ca 0.74 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.59 1wgk h LEU 63 Cb 2.04 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.90 1wgk h LEU 63 CO -0.46 -0.14 -0.12 0.15 -1.08 0.00 0.00 178.44 176.78 1wgk h PHE 64 N -0.74 -0.31 -3.93 1.13 3.57 -0.87 -3.47 116.94 112.33 1wgk h PHE 64 Ca -0.05 -0.01 -0.47 0.00 3.53 0.00 0.00 57.97 60.97 1wgk h PHE 64 Cb 0.51 0.10 -0.21 0.00 2.79 0.00 0.00 35.95 39.14 1wgk h PHE 64 CO -0.00 -0.19 -0.80 0.42 -2.23 0.00 0.00 178.31 175.51 1wgk s ILE 65 N -2.71 1.36 -0.33 1.41 1.01 0.25 -4.46 121.20 117.73 1wgk s ILE 65 Ca -0.05 -1.41 -0.00 0.00 0.00 0.00 0.00 60.65 59.19 1wgk s ILE 65 Cb 0.00 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.28 1wgk s ILE 65 CO 0.15 -0.16 0.05 -1.58 0.00 0.00 0.00 174.94 173.39 1wgk s GLN 66 N -1.83 2.10 0.10 2.79 -0.44 -1.24 -2.70 119.66 118.43 1wgk s GLN 66 Ca 0.02 -1.55 0.00 0.00 -2.50 0.00 0.00 55.36 51.33 1wgk s GLN 66 Cb -0.10 -3.26 0.00 0.00 -1.64 0.00 0.00 33.01 28.02 1wgk s GLN 66 CO 0.03 -0.80 0.00 0.41 0.50 0.00 0.00 175.29 175.43 1wgk n GLY 67 N 4.52 -2.45 0.34 2.59 0.00 -1.26 -4.09 105.19 104.83 1wgk n GLY 67 Ca -0.07 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.95 1.61 3.04 -1.96 -3.41 116.42 112.75 1wgk h ASP 68 Ca 0.00 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 53.17 1wgk h ASP 68 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1wgk h ASP 68 CO 0.00 0.00 -0.42 -0.94 -2.04 0.00 0.00 179.24 175.84 1wgk s SER 69 N -4.98 6.43 0.30 4.15 1.04 -1.26 -4.64 113.70 114.75 1wgk s SER 69 Ca -0.04 0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.54 1wgk s SER 69 Cb 0.12 -2.03 -0.10 0.00 0.10 0.00 0.00 66.02 64.11 1wgk s SER 69 CO 0.38 0.18 1.13 0.68 0.98 0.00 0.00 173.24 176.60 1wgk s VAL 70 N -1.45 3.37 0.98 5.02 -7.23 -1.26 -3.67 120.40 116.16 1wgk s VAL 70 Ca 0.33 1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 61.69 1wgk s VAL 70 Cb -0.13 -3.84 -0.01 0.00 0.56 0.00 0.00 36.38 32.96 1wgk s VAL 70 CO 0.22 0.29 -0.02 0.54 -0.31 0.00 0.00 175.10 175.82 1wgk n ARG 71 N 0.98 -0.35 0.00 4.82 1.74 -1.26 -4.79 116.66 117.81 1wgk n ARG 71 Ca -0.00 -0.07 0.05 0.00 -0.77 0.00 0.00 57.85 57.06 1wgk n ARG 71 Cb 0.45 -1.59 0.31 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.52 0.49 -0.03 5.56 -0.04 -1.26 -2.58 135.00 136.62 1wgk n PRO 72 Ca 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1wgk n PRO 72 Cb 0.56 -1.33 -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 -0.34 3.67 0.55 0.00 -1.26 -4.98 105.19 102.82 1wgk n GLY 73 Ca 0.08 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.21 4.52 -0.32 -0.61 -1.09 -1.07 -3.24 121.20 117.19 1wgk s ILE 74 Ca -0.03 1.83 -0.09 0.00 -2.23 0.00 0.00 60.65 60.12 1wgk s ILE 74 Cb 0.02 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1wgk s ILE 74 CO 0.28 -0.13 0.15 -0.76 -1.23 0.00 0.00 174.94 173.25 1wgk s LEU 75 N 3.08 4.15 0.20 2.97 1.43 0.14 -4.71 118.68 125.94 1wgk s LEU 75 Ca 0.49 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1wgk s LEU 75 Cb -0.19 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1wgk s LEU 75 CO 0.12 -0.22 0.38 0.68 0.23 0.00 0.00 176.35 177.54 1wgk s VAL 76 N 1.58 5.21 -0.06 -1.59 -7.23 -1.26 0.21 120.40 117.25 1wgk s VAL 76 Ca 0.04 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1wgk s VAL 76 Cb -0.17 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.08 1wgk s VAL 76 CO 0.06 -0.16 0.12 -0.76 -0.31 0.00 0.00 175.10 174.05 1wgk s LEU 77 N -3.29 0.19 -0.26 1.32 1.43 -0.14 -3.79 118.68 114.14 1wgk s LEU 77 Ca 0.38 0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.56 1wgk s LEU 77 Cb -0.11 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.23 1wgk s LEU 77 CO 0.29 -0.22 0.45 -0.63 0.23 0.00 0.00 176.35 176.47 1wgk s ILE 78 N 2.00 5.12 -1.59 -0.59 1.01 0.06 -1.08 121.20 126.13 1wgk s ILE 78 Ca 0.01 0.74 -0.07 0.00 0.00 0.00 0.00 60.65 61.33 1wgk s ILE 78 Cb -0.12 -3.77 0.07 0.00 0.01 0.00 0.00 42.46 38.65 1wgk s ILE 78 CO -0.05 0.12 0.36 0.59 0.00 0.00 0.00 174.94 175.96 1wgk n ASN 79 N 5.45 -0.64 -3.04 3.58 3.02 -0.42 -0.90 115.26 122.31 1wgk n ASN 79 Ca -0.06 -1.14 -0.14 0.00 -0.03 0.00 0.00 54.58 53.21 1wgk n ASN 79 Cb 0.50 -2.26 0.07 0.00 -0.61 0.00 0.00 39.78 37.49 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 -2.81 -3.50 -3.62 6.41 8.00 -1.26 -5.03 116.55 114.73 1wgk n ASP 80 Ca -0.18 -0.56 -0.04 0.00 0.71 0.00 0.00 54.79 54.72 1wgk n ASP 80 Cb 0.62 -4.47 -0.06 0.00 -0.02 0.00 0.00 41.12 37.19 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 -3.32 -2.07 -0.10 2.24 0.00 -0.08 -5.13 121.76 113.31 1wgk s ALA 81 Ca 0.15 2.33 -0.39 0.00 0.00 0.00 0.00 51.96 54.05 1wgk s ALA 81 Cb -0.02 -1.62 -0.17 0.00 0.00 0.00 0.00 23.12 21.32 1wgk s ALA 81 CO 0.62 -0.54 1.51 -0.25 0.00 0.00 0.00 175.76 177.11 1wgk n ASP 82 N 4.49 1.88 0.14 0.00 8.00 -1.26 -0.76 116.55 129.03 1wgk n ASP 82 Ca -0.17 1.10 0.12 0.00 0.71 0.00 0.00 54.79 56.55 1wgk n ASP 82 Cb 0.56 -1.14 0.50 0.00 -0.02 0.00 0.00 41.12 41.02 1wgk n ASP 82 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1wgk n TRP 83 N 3.77 0.84 0.08 1.24 4.27 -1.25 -2.30 117.44 124.11 1wgk n TRP 83 Ca 0.22 0.34 -0.06 0.00 -3.89 0.00 0.00 57.50 54.11 1wgk n TRP 83 Cb 0.15 -1.04 -0.05 0.00 -1.36 0.00 0.00 31.31 29.01 1wgk n TRP 83 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1wgk h GLU 84 N 0.00 0.03 0.00 -2.67 5.08 -1.88 0.28 114.58 115.42 1wgk h GLU 84 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1wgk h GLU 84 Cb 0.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1wgk h GLU 84 CO 0.00 0.92 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.60 1wgk h LEU 85 N 0.01 0.00 0.00 1.33 4.07 -1.83 -3.38 115.31 115.51 1wgk h LEU 85 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1wgk h LEU 85 Cb 1.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.35 1wgk h LEU 85 CO 0.12 0.26 -0.67 0.18 -1.08 0.00 0.00 178.44 177.26 1wgk n LEU 86 N -3.28 1.35 0.00 1.67 4.77 -1.20 -5.05 117.00 115.26 1wgk n LEU 86 Ca 0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1wgk n LEU 86 Cb 0.53 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1wgk n LEU 86 CO 0.35 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1wgk n GLY 87 N 1.63 -1.48 0.00 -0.72 0.00 0.72 -4.82 105.19 100.52 1wgk n GLY 87 Ca -0.09 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 -0.79 1.61 4.71 0.34 -0.93 120.64 125.58 1wgk n GLU 88 Ca 0.00 0.52 -0.03 0.00 -0.01 0.00 0.00 57.16 57.64 1wgk n GLU 88 Cb 0.00 -0.90 0.23 0.00 -1.01 0.00 0.00 31.44 29.76 1wgk n GLU 88 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1wgk n LEU 89 N -1.62 4.68 -0.00 -4.62 4.77 -1.26 -4.37 117.00 114.57 1wgk n LEU 89 Ca 0.00 -3.46 0.01 0.00 -0.03 0.00 0.00 56.01 52.53 1wgk n LEU 89 Cb 0.00 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1wgk n LEU 89 CO 0.00 1.00 -0.56 -0.67 -1.33 0.00 0.00 177.39 175.84 1wgk n ASP 90 N -0.81 4.17 -4.67 -1.43 -0.08 -0.88 -4.34 116.55 108.50 1wgk n ASP 90 Ca 0.34 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.20 1wgk n ASP 90 Cb 1.13 1.05 -0.03 0.00 2.34 0.00 0.00 41.12 45.62 1wgk n ASP 90 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1wgk s TYR 91 N -2.22 2.29 -0.42 -0.67 6.14 -0.11 -4.92 117.35 117.45 1wgk s TYR 91 Ca -0.01 0.43 -0.15 0.00 0.64 0.00 0.00 57.07 57.97 1wgk s TYR 91 Cb 0.02 -3.82 0.03 0.00 0.42 0.00 0.00 41.96 38.61 1wgk s TYR 91 CO 0.15 -3.31 0.31 -0.65 0.64 0.00 0.00 175.55 172.69 1wgk s GLN 92 N 3.56 2.97 0.42 4.97 -0.21 -1.26 -1.92 119.66 128.18 1wgk s GLN 92 Ca 0.69 -1.06 -0.26 0.00 0.02 0.00 0.00 55.36 54.75 1wgk s GLN 92 Cb -0.32 -4.00 -0.09 0.00 1.00 0.00 0.00 33.01 29.60 1wgk s GLN 92 CO 0.27 -0.78 1.40 -0.51 -2.12 0.00 0.00 175.29 173.54 1wgk s LEU 93 N 1.68 4.20 0.00 2.90 1.43 -0.31 -4.95 118.68 123.63 1wgk s LEU 93 Ca 0.05 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.01 1wgk s LEU 93 Cb -0.20 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1wgk s LEU 93 CO 0.10 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.69 1wgk n GLN 94 N 0.08 0.00 -3.54 1.70 1.13 -1.26 -4.32 117.38 111.17 1wgk n GLN 94 Ca 0.04 0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.07 1wgk n GLN 94 Cb 0.42 -0.36 -0.02 0.00 0.11 0.00 0.00 30.24 30.39 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 -2.41 -0.35 -0.04 1.08 -4.77 -1.26 -4.85 116.67 104.07 1wgk s ASP 95 Ca 0.00 -0.08 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 1wgk s ASP 95 Cb 0.00 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 1wgk s ASP 95 CO 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 175.17 175.16 1wgk n GLN 96 N -0.30 -2.21 -2.32 2.11 1.13 0.45 -4.85 117.38 111.39 1wgk n GLN 96 Ca -0.09 0.02 -0.33 0.00 -1.94 0.00 0.00 57.00 54.66 1wgk n GLN 96 Cb 0.62 -4.33 -0.02 0.00 0.11 0.00 0.00 30.24 26.62 1wgk n GLN 96 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wgk s ASP 97 N -1.63 6.22 -0.20 1.08 -1.08 -1.25 -4.68 116.67 115.14 1wgk s ASP 97 Ca 0.00 1.78 -0.05 0.00 -0.52 0.00 0.00 52.55 53.76 1wgk s ASP 97 Cb 0.00 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1wgk s ASP 97 CO 0.00 -0.86 0.00 -0.55 0.52 0.00 0.00 175.17 174.28 1wgk s SER 98 N -2.59 4.82 -0.15 -0.34 0.15 -1.26 -0.23 113.70 114.10 1wgk s SER 98 Ca 0.63 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 57.09 1wgk s SER 98 Cb -0.14 -1.83 0.01 0.00 -1.71 0.00 0.00 66.02 62.36 1wgk s SER 98 CO 0.29 0.05 -0.21 -0.63 1.20 0.00 0.00 173.24 173.95 1wgk s ILE 99 N 1.06 2.02 0.23 6.45 -1.09 0.47 -1.30 121.20 129.03 1wgk s ILE 99 Ca 0.02 -0.94 0.09 0.00 -2.23 0.00 0.00 60.65 57.59 1wgk s ILE 99 Cb -0.14 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 1wgk s ILE 99 CO 0.02 0.54 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.02 1wgk s LEU 100 N 0.95 3.18 -0.03 2.97 2.96 -0.24 -0.63 118.68 127.84 1wgk s LEU 100 Ca -0.04 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1wgk s LEU 100 Cb -0.15 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1wgk s LEU 100 CO -0.05 0.04 0.15 -0.36 -1.32 0.00 0.00 176.35 174.81 1wgk s PHE 101 N -2.05 -0.06 -0.09 5.38 0.40 -0.81 -0.97 117.98 119.78 1wgk s PHE 101 Ca 0.29 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1wgk s PHE 101 Cb -0.08 0.00 0.02 0.00 0.51 0.00 0.00 43.02 43.48 1wgk s PHE 101 CO 0.19 -0.19 -0.10 0.42 0.70 0.00 0.00 175.22 176.24 1wgk s ILE 102 N -0.67 1.10 -0.50 0.64 1.09 0.13 -1.75 121.20 121.25 1wgk s ILE 102 Ca -0.08 -0.39 -0.19 0.00 -1.10 0.00 0.00 60.65 58.90 1wgk s ILE 102 Cb -0.04 -1.06 0.06 0.00 -1.06 0.00 0.00 42.46 40.35 1wgk s ILE 102 CO 0.01 0.36 0.60 -0.55 -0.10 0.00 0.00 174.94 175.26 1wgk s SER 103 N 1.22 6.22 -0.11 3.58 0.15 -1.26 -0.68 113.70 122.83 1wgk s SER 103 Ca -0.04 -0.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.58 1wgk s SER 103 Cb -0.14 -2.28 -0.11 0.00 -1.71 0.00 0.00 66.02 61.79 1wgk s SER 103 CO -0.03 -0.85 0.36 0.71 1.20 0.00 0.00 173.24 174.64 1wgk h THR 104 N 5.85 0.68 -0.90 6.45 1.35 -1.95 -3.45 112.91 120.94 1wgk h THR 104 Ca -0.27 -1.45 -0.71 0.00 -0.55 0.00 0.00 66.41 63.43 1wgk h THR 104 Cb 1.10 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 1wgk h THR 104 CO 0.94 0.22 1.29 0.18 -0.25 0.00 0.00 175.52 177.91 1wgk n LEU 105 N -4.75 1.83 -4.80 3.87 4.32 -1.26 -4.92 117.00 111.29 1wgk n LEU 105 Ca -0.04 0.61 -0.29 0.00 -0.02 0.00 0.00 56.01 56.27 1wgk n LEU 105 Cb 0.19 -1.15 0.17 0.00 -1.62 0.00 0.00 43.42 41.01 1wgk n LEU 105 CO 0.14 -0.68 0.75 -1.00 -1.22 0.00 0.00 177.39 175.38 1wgk s HIS 106 N 6.23 1.91 0.21 -1.77 3.76 -1.26 -5.09 115.29 119.28 1wgk s HIS 106 Ca 1.10 0.62 0.03 0.00 -0.15 0.00 0.00 55.06 56.66 1wgk s HIS 106 Cb -1.06 -3.62 0.03 0.00 1.11 0.00 0.00 32.58 29.03 1wgk s HIS 106 CO 0.57 -2.68 0.22 0.41 -0.85 0.00 0.00 174.74 172.41 1wgk n GLY 107 N -2.53 2.54 3.71 -2.22 0.00 -1.26 -5.13 105.19 100.30 1wgk n GLY 107 Ca 0.10 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.73 1.92 -0.74 -0.02 0.00 -1.26 -5.07 107.32 99.42 1wgk s GLY 108 Ca 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 1wgk s GLY 108 CO 0.10 -0.84 0.58 -0.45 0.00 0.00 0.00 173.10 172.50 1wgk s SER 109 N -1.73 5.54 -0.72 1.64 0.15 -1.26 -5.02 113.70 112.30 1wgk s SER 109 Ca 0.22 -3.25 -0.19 0.00 0.70 0.00 0.00 55.95 53.43 1wgk s SER 109 Cb -0.12 -1.87 -0.18 0.00 -1.71 0.00 0.00 66.02 62.14 1wgk s SER 109 CO 0.13 -0.29 1.86 0.61 1.20 0.00 0.00 173.24 176.75 1wgk n GLY 110 N 2.96 -0.36 3.71 9.45 0.00 -1.26 -4.79 105.19 114.91 1wgk n GLY 110 Ca 0.14 0.64 -0.42 0.00 0.00 0.00 0.00 46.02 46.38 1wgk n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgk s PRO 111 N 6.17 4.33 0.09 1.61 0.04 -1.26 -5.03 135.00 140.94 1wgk s PRO 111 Ca 0.98 2.03 0.04 0.00 0.04 0.00 0.00 61.00 64.08 1wgk s PRO 111 Cb -0.84 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1wgk s PRO 111 CO 0.37 -0.44 0.06 -1.54 0.04 0.00 0.00 177.00 175.49 1wgk s SER 112 N 1.23 5.41 -0.19 6.66 1.04 -1.26 -5.11 113.70 121.47 1wgk s SER 112 Ca 0.64 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 1wgk s SER 112 Cb -0.35 -1.41 0.15 0.00 0.10 0.00 0.00 66.02 64.50 1wgk s SER 112 CO 0.30 0.17 1.11 -0.94 0.98 0.00 0.00 173.24 174.86 1wgk s SER 113 N -2.42 -0.26 0.00 7.02 1.04 -1.26 -5.32 113.70 112.51 1wgk s SER 113 Ca 0.29 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1wgk s SER 113 Cb -0.12 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1wgk s SER 113 CO 0.21 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.79