#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 6.27 -0.00 1.61 0.01 -1.26 -5.12 113.70 115.21 1wgk s SER 2 Ca 0.00 0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.52 1wgk s SER 2 Cb 0.00 -1.90 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1wgk s SER 2 CO 0.00 0.13 -0.16 -0.44 0.41 0.00 0.00 173.24 173.18 1wgk s SER 3 N -2.74 1.87 -0.36 2.44 0.01 -1.26 -5.09 113.70 108.58 1wgk s SER 3 Ca 0.34 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 1wgk s SER 3 Cb -0.12 -0.20 0.20 0.00 0.21 0.00 0.00 66.02 66.12 1wgk s SER 3 CO 0.28 0.18 1.02 -0.83 0.41 0.00 0.00 173.24 174.30 1wgk s GLY 4 N -0.50 -1.73 -0.30 3.44 0.00 -1.26 -5.15 107.32 101.82 1wgk s GLY 4 Ca 0.06 0.61 -0.16 0.00 0.00 0.00 0.00 44.72 45.22 1wgk s GLY 4 CO -0.00 4.20 1.14 -1.35 0.00 0.00 0.00 173.10 177.09 1wgk s SER 5 N 1.22 -0.27 0.09 1.64 1.04 -1.26 -5.05 113.70 111.12 1wgk s SER 5 Ca 0.22 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.91 1wgk s SER 5 Cb 0.08 1.14 -0.09 0.00 0.10 0.00 0.00 66.02 67.26 1wgk s SER 5 CO -0.11 -0.06 1.41 0.77 0.98 0.00 0.00 173.24 176.23 1wgk h SER 6 N 5.81 0.69 0.00 7.02 4.64 -2.03 -3.48 113.55 126.20 1wgk h SER 6 Ca -0.25 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1wgk h SER 6 Cb 1.16 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1wgk h SER 6 CO 0.20 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 1wgk n GLY 7 N 0.16 0.16 1.93 -0.77 0.00 -1.26 -4.62 105.19 100.78 1wgk n GLY 7 Ca -0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1wgk n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wgk n MET 8 N 0.00 2.33 -1.91 1.61 0.00 -1.26 -4.70 117.12 113.19 1wgk n MET 8 Ca 0.00 -3.06 -0.32 0.00 0.00 0.00 0.00 57.70 54.32 1wgk n MET 8 Cb 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 33.22 31.15 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk s ALA 9 N -3.25 2.81 0.11 3.04 0.00 -1.26 -4.98 121.76 118.23 1wgk s ALA 9 Ca 0.54 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1wgk s ALA 9 Cb 0.46 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1wgk s ALA 9 CO 0.08 -0.86 0.18 0.00 0.00 0.00 0.00 175.76 175.17 1wgk s ALA 10 N -2.77 3.78 0.25 0.00 0.00 -1.26 -4.12 121.76 117.64 1wgk s ALA 10 Ca 0.60 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 1wgk s ALA 10 Cb -0.14 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1wgk s ALA 10 CO 0.44 0.66 1.26 -1.25 0.00 0.00 0.00 175.76 176.88 1wgk s PRO 11 N -2.81 4.43 0.19 0.00 0.04 -1.26 -4.25 135.00 131.35 1wgk s PRO 11 Ca 0.32 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.47 1wgk s PRO 11 Cb -0.12 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1wgk s PRO 11 CO 0.26 -0.14 0.16 -0.48 0.04 0.00 0.00 177.00 176.84 1wgk s LEU 12 N -0.89 3.83 -0.17 -3.56 0.05 0.01 -4.92 118.68 113.04 1wgk s LEU 12 Ca 0.52 -0.16 0.01 0.00 0.05 0.00 0.00 54.13 54.54 1wgk s LEU 12 Cb -0.36 -2.41 0.01 0.00 -2.05 0.00 0.00 46.19 41.37 1wgk s LEU 12 CO 0.43 0.03 -0.17 0.00 -0.55 0.00 0.00 176.35 176.09 1wgk s VAL 14 N 1.01 1.61 -0.39 0.00 -7.23 0.52 -2.67 120.40 113.25 1wgk s VAL 14 Ca -0.02 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 1wgk s VAL 14 Cb -0.15 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1wgk s VAL 14 CO -0.04 0.45 0.38 -0.54 -0.31 0.00 0.00 175.10 175.04 1wgk s LYS 15 N -0.47 3.22 -0.15 4.82 1.02 -1.06 -0.39 119.74 126.73 1wgk s LYS 15 Ca 0.08 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 1wgk s LYS 15 Cb -0.08 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 1wgk s LYS 15 CO -0.01 -0.73 0.11 0.08 -0.92 0.00 0.00 175.35 173.88 1wgk s VAL 16 N 2.00 5.20 -0.06 3.17 1.01 -0.46 -1.97 120.40 129.29 1wgk s VAL 16 Ca 0.10 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1wgk s VAL 16 Cb -0.17 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1wgk s VAL 16 CO 0.12 0.54 -0.14 -0.70 0.00 0.00 0.00 175.10 174.92 1wgk s GLU 17 N -0.35 1.81 -0.05 2.72 2.12 -0.53 -0.07 118.70 124.35 1wgk s GLU 17 Ca 0.11 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1wgk s GLU 17 Cb -0.12 -1.49 -0.03 0.00 0.26 0.00 0.00 34.13 32.75 1wgk s GLU 17 CO 0.01 0.08 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.74 1wgk s PHE 18 N 0.52 3.09 0.00 5.30 0.40 -1.13 -0.12 117.98 126.04 1wgk s PHE 18 Ca -0.13 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1wgk s PHE 18 Cb -0.15 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1wgk s PHE 18 CO 0.04 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.81 1wgk n GLY 19 N 1.83 -2.86 3.48 4.36 0.00 0.19 -4.66 105.19 107.53 1wgk n GLY 19 Ca -0.17 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.94 1.49 0.00 -0.02 0.00 -1.26 -4.08 107.32 102.51 1wgk s GLY 20 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.54 1wgk s GLY 20 CO 0.00 2.20 0.00 0.61 0.00 0.00 0.00 173.10 175.91 1wgk n GLY 21 N 5.64 1.62 0.41 0.20 0.00 -1.26 -4.94 105.19 106.86 1wgk n GLY 21 Ca 0.12 -0.23 0.22 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.00 4.61 0.00 -1.92 -0.99 119.26 122.20 1wgk h ALA 22 Ca 0.00 0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.28 1wgk h ALA 22 Cb 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 1wgk h ALA 22 CO 0.00 -0.61 0.19 1.05 0.00 0.00 0.00 179.25 179.88 1wgk h GLU 23 N 0.40 0.01 -0.75 0.00 4.11 -1.83 0.93 114.58 117.45 1wgk h GLU 23 Ca 0.57 -0.00 0.12 0.00 0.07 0.00 0.00 59.36 60.12 1wgk h GLU 23 Cb 1.44 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.60 1wgk h GLU 23 CO -0.27 0.00 0.34 -0.07 0.07 0.00 0.00 179.01 179.09 1wgk h LEU 24 N 0.01 0.39 0.00 3.06 3.38 -1.49 0.54 115.31 121.21 1wgk h LEU 24 Ca 0.68 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.74 1wgk h LEU 24 Cb 1.56 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1wgk h LEU 24 CO -0.88 0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.02 1wgk n LEU 25 N -4.92 0.00 -3.58 1.67 4.77 0.32 -2.99 117.00 112.27 1wgk n LEU 25 Ca 0.13 0.47 -0.29 0.00 -0.03 0.00 0.00 56.01 56.30 1wgk n LEU 25 Cb 0.36 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1wgk n LEU 25 CO 0.21 -0.43 -0.28 -0.36 -1.33 0.00 0.00 177.39 175.21 1wgk s PHE 26 N -2.95 1.42 -0.27 -1.77 0.40 0.17 -3.28 117.98 111.69 1wgk s PHE 26 Ca 0.01 -2.12 0.00 0.00 -0.60 0.00 0.00 56.93 54.23 1wgk s PHE 26 Cb 0.02 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1wgk s PHE 26 CO 0.05 -0.80 0.00 -3.47 0.70 0.00 0.00 175.22 171.70 1wgk n ASP 27 N 3.61 -1.30 -3.84 1.36 -0.08 -1.24 -2.20 116.55 112.85 1wgk n ASP 27 Ca 0.13 0.28 -0.31 0.00 -1.51 0.00 0.00 54.79 53.38 1wgk n ASP 27 Cb 0.37 -1.36 0.01 0.00 2.34 0.00 0.00 41.12 42.48 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 -0.35 -0.73 3.07 0.27 0.00 0.11 -4.94 105.19 102.62 1wgk n GLY 28 Ca -0.03 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.54 0.73 -0.05 1.61 1.01 -0.94 -4.81 120.40 114.40 1wgk s VAL 29 Ca 0.26 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1wgk s VAL 29 Cb -0.14 -0.71 -0.12 0.00 0.00 0.00 0.00 36.38 35.41 1wgk s VAL 29 CO 0.71 -0.15 0.70 0.11 0.00 0.00 0.00 175.10 176.47 1wgk h LYS 30 N 4.92 -0.28 -5.25 2.72 1.79 -1.91 -3.43 116.57 115.14 1wgk h LYS 30 Ca -0.35 0.02 -0.63 0.00 -2.18 0.00 0.00 60.65 57.51 1wgk h LYS 30 Cb 1.19 0.06 -0.20 0.00 -1.58 0.00 0.00 32.23 31.71 1wgk h LYS 30 CO 0.44 0.05 -0.63 0.15 -1.08 0.00 0.00 179.45 178.37 1wgk s LYS 31 N -3.15 3.76 -0.24 3.15 1.02 -1.26 -2.84 119.74 120.18 1wgk s LYS 31 Ca -0.10 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1wgk s LYS 31 Cb 0.00 -3.05 0.05 0.00 -0.52 0.00 0.00 37.83 34.31 1wgk s LYS 31 CO 0.36 0.20 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.85 1wgk s HIS 32 N 0.51 3.14 -0.81 3.18 3.76 0.90 -4.98 115.29 120.98 1wgk s HIS 32 Ca -0.01 -2.16 -0.26 0.00 -0.15 0.00 0.00 55.06 52.49 1wgk s HIS 32 Cb -0.14 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1wgk s HIS 32 CO 0.02 -0.86 1.37 -1.14 -0.85 0.00 0.00 174.74 173.28 1wgk s GLN 33 N 1.15 3.25 0.14 1.40 0.74 -1.26 -1.35 119.66 123.73 1wgk s GLN 33 Ca -0.06 -0.43 -0.18 0.00 0.05 0.00 0.00 55.36 54.74 1wgk s GLN 33 Cb -0.18 -4.52 -0.07 0.00 1.10 0.00 0.00 33.01 29.33 1wgk s GLN 33 CO -0.07 -2.22 0.62 0.08 -0.55 0.00 0.00 175.29 173.15 1wgk s VAL 34 N 5.82 4.69 -0.53 1.34 1.01 0.48 -4.94 120.40 128.27 1wgk s VAL 34 Ca 0.40 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.59 1wgk s VAL 34 Cb -0.06 -3.86 0.16 0.00 0.00 0.00 0.00 36.38 32.61 1wgk s VAL 34 CO 0.08 0.37 0.35 0.00 0.00 0.00 0.00 175.10 175.91 1wgk s ALA 35 N -1.33 2.60 0.46 5.51 0.00 -1.26 -0.35 121.76 127.38 1wgk s ALA 35 Ca 0.36 -3.02 -0.24 0.00 0.00 0.00 0.00 51.96 49.05 1wgk s ALA 35 Cb -0.18 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.95 1wgk s ALA 35 CO 0.20 -2.05 1.30 -0.51 0.00 0.00 0.00 175.76 174.71 1wgk s LEU 36 N -0.38 4.07 0.00 0.00 1.43 0.84 -4.83 118.68 119.81 1wgk s LEU 36 Ca 0.24 2.64 -0.14 0.00 -1.03 0.00 0.00 54.13 55.84 1wgk s LEU 36 Cb -0.10 -4.07 0.21 0.00 0.03 0.00 0.00 46.19 42.26 1wgk s LEU 36 CO -0.11 -1.09 0.76 -0.81 0.23 0.00 0.00 176.35 175.34 1wgk n PRO 37 N -0.34 -2.52 -4.51 1.29 -0.04 -1.26 -0.81 135.00 126.81 1wgk n PRO 37 Ca 0.06 -1.22 -0.34 0.00 -0.04 0.00 0.00 63.50 61.96 1wgk n PRO 37 Cb 0.45 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.64 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 -3.87 1.72 0.19 0.55 0.00 -1.26 -4.16 107.32 100.49 1wgk s GLY 38 Ca 0.50 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 44.18 1wgk s GLY 38 CO 0.38 -0.39 0.55 -0.86 0.00 0.00 0.00 173.10 172.78 1wgk s GLN 39 N -0.30 1.38 0.32 2.90 -2.07 -1.26 -4.65 119.66 115.98 1wgk s GLN 39 Ca 0.05 -0.78 0.05 0.00 -1.82 0.00 0.00 55.36 52.86 1wgk s GLN 39 Cb -0.13 0.54 0.69 0.00 -1.09 0.00 0.00 33.01 33.03 1wgk s GLN 39 CO 0.02 -0.60 1.86 1.05 -1.32 0.00 0.00 175.29 176.30 1wgk h GLU 40 N 2.14 0.81 -5.72 9.60 4.11 -1.84 -3.40 114.58 120.28 1wgk h GLU 40 Ca -0.29 -0.05 -0.62 0.00 0.07 0.00 0.00 59.36 58.47 1wgk h GLU 40 Cb 1.27 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 1wgk h GLU 40 CO 0.36 0.54 -0.32 -1.21 0.07 0.00 0.00 179.01 178.45 1wgk s GLU 41 N -5.81 3.90 0.46 1.06 2.02 -1.26 -5.03 118.70 114.04 1wgk s GLU 41 Ca -0.11 0.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.80 1wgk s GLU 41 Cb 0.22 -3.28 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 1wgk s GLU 41 CO 0.80 0.56 1.17 -1.25 0.02 0.00 0.00 175.26 176.55 1wgk s PRO 42 N -0.52 3.77 -0.50 0.39 0.04 -1.26 -4.93 135.00 131.99 1wgk s PRO 42 Ca 0.19 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 1wgk s PRO 42 Cb -0.14 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1wgk s PRO 42 CO 0.07 -0.54 1.84 -1.58 0.04 0.00 0.00 177.00 176.83 1wgk s TRP 43 N -1.54 1.72 0.28 0.56 0.52 -1.26 -4.88 118.94 114.34 1wgk s TRP 43 Ca 0.63 0.76 -0.01 0.00 0.02 0.00 0.00 56.10 57.50 1wgk s TRP 43 Cb -0.29 -4.09 -0.04 0.00 -1.15 0.00 0.00 33.47 27.90 1wgk s TRP 43 CO 0.35 -2.52 0.49 -0.51 0.02 0.00 0.00 176.95 174.77 1wgk s ASP 44 N 7.37 6.36 0.11 2.95 1.01 -1.26 -1.65 116.67 131.56 1wgk s ASP 44 Ca 0.73 0.48 -0.21 0.00 0.71 0.00 0.00 52.55 54.26 1wgk s ASP 44 Cb -0.16 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 1wgk s ASP 44 CO 0.26 -0.18 1.24 -0.38 0.21 0.00 0.00 175.17 176.32 1wgk n ILE 45 N -1.20 -0.45 -0.29 0.77 2.08 -1.10 -0.41 119.36 118.77 1wgk n ILE 45 Ca -0.04 1.93 -0.03 0.00 0.56 0.00 0.00 62.75 65.17 1wgk n ILE 45 Cb 0.55 -2.42 -0.00 0.00 -0.75 0.00 0.00 39.64 37.02 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 -4.55 -0.22 0.09 0.38 0.63 -1.26 -0.20 116.66 111.53 1wgk n ARG 46 Ca 0.01 1.10 -0.13 0.00 -0.92 0.00 0.00 57.85 57.92 1wgk n ARG 46 Cb 0.17 -1.63 -0.08 0.00 0.45 0.00 0.00 32.46 31.37 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 -0.21 -0.71 6.15 2.35 -1.06 -3.29 115.58 118.81 1wgk h ASN 47 Ca 0.21 -0.26 0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1wgk h ASN 47 Cb 0.39 0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.73 1wgk h ASN 47 CO -0.70 0.17 -0.42 -0.11 -1.65 0.00 0.00 177.43 174.72 1wgk n LEU 48 N -5.03 -0.75 -0.36 1.61 7.94 0.72 0.39 117.00 121.50 1wgk n LEU 48 Ca -0.09 1.40 0.05 0.00 -1.11 0.00 0.00 56.01 56.27 1wgk n LEU 48 Cb 0.24 -0.23 0.12 0.00 0.53 0.00 0.00 43.42 44.08 1wgk n LEU 48 CO 0.31 -1.10 0.65 -0.07 -1.11 0.00 0.00 177.39 176.07 1wgk h LEU 49 N 0.00 -1.01 -0.08 -1.96 -0.00 -1.26 -0.56 115.31 110.44 1wgk h LEU 49 Ca 0.11 0.30 0.02 0.00 -0.00 0.00 0.00 57.88 58.31 1wgk h LEU 49 Cb 0.29 0.64 -0.03 0.00 -0.00 0.00 0.00 40.66 41.56 1wgk h LEU 49 CO -0.67 -0.32 -0.29 0.58 -0.00 0.00 0.00 178.44 177.74 1wgk h VAL 50 N -0.00 0.00 -1.15 1.22 2.07 -0.15 0.72 116.25 118.96 1wgk h VAL 50 Ca 0.46 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.30 1wgk h VAL 50 Cb 0.71 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 1wgk h VAL 50 CO -1.02 0.00 0.78 -0.25 0.02 0.00 0.00 177.57 177.09 1wgk h TRP 51 N -0.30 0.39 0.04 1.57 7.01 -0.92 1.70 115.95 125.44 1wgk h TRP 51 Ca 0.02 0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.81 1wgk h TRP 51 Cb 0.35 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 1wgk h TRP 51 CO -0.53 0.00 -1.01 0.82 -2.79 0.00 0.00 178.44 174.93 1wgk h ILE 52 N 0.20 1.52 0.00 2.65 2.04 -0.08 -2.18 117.51 121.67 1wgk h ILE 52 Ca 0.62 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1wgk h ILE 52 Cb 1.98 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 40.72 1wgk h ILE 52 CO -0.20 0.83 -0.56 0.29 0.00 0.00 0.00 178.15 178.51 1wgk n LYS 53 N -3.58 0.07 -0.10 2.37 5.02 0.23 0.13 118.16 122.30 1wgk n LYS 53 Ca -0.05 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.05 1wgk n LYS 53 Cb 0.89 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 34.26 1wgk n LYS 53 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1wgk n LYS 54 N -1.64 0.55 -0.01 1.97 2.85 0.52 -4.46 118.16 117.94 1wgk n LYS 54 Ca 0.05 0.56 -0.02 0.00 -1.05 0.00 0.00 58.31 57.85 1wgk n LYS 54 Cb 0.36 -1.73 -0.01 0.00 -0.65 0.00 0.00 35.03 33.00 1wgk n LYS 54 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1wgk n ASN 55 N -4.44 0.47 -0.59 -5.58 0.23 -0.83 -4.61 115.26 99.91 1wgk n ASN 55 Ca -0.30 0.07 0.47 0.00 -0.53 0.00 0.00 54.58 54.29 1wgk n ASN 55 Cb 0.65 -0.38 0.78 0.00 -2.08 0.00 0.00 39.78 38.75 1wgk n ASN 55 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1wgk h LEU 56 N -0.17 0.05 -9.20 -4.53 5.85 -1.48 -3.35 115.31 102.48 1wgk h LEU 56 Ca 0.00 0.03 -0.60 0.00 0.84 0.00 0.00 57.88 58.15 1wgk h LEU 56 Cb 0.17 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.11 1wgk h LEU 56 CO 0.00 -0.04 -0.43 -0.22 -0.34 0.00 0.00 178.44 177.41 1wgk s LEU 57 N -8.32 4.18 -0.00 2.25 2.96 0.36 -4.21 118.68 115.90 1wgk s LEU 57 Ca -0.06 0.28 0.09 0.00 -0.22 0.00 0.00 54.13 54.23 1wgk s LEU 57 Cb 0.27 -2.20 -0.11 0.00 0.50 0.00 0.00 46.19 44.65 1wgk s LEU 57 CO 0.87 0.10 0.32 0.29 -1.32 0.00 0.00 176.35 176.60 1wgk n LYS 58 N 3.88 2.94 -3.27 1.98 4.76 -1.21 -4.57 118.16 122.68 1wgk n LYS 58 Ca -0.14 -0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.06 1wgk n LYS 58 Cb 0.52 -1.01 0.05 0.00 -1.84 0.00 0.00 35.03 32.75 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 -2.07 2.25 0.23 1.97 0.41 -1.26 -5.05 118.70 115.17 1wgk s GLU 59 Ca 0.01 -1.79 -0.31 0.00 -0.41 0.00 0.00 54.97 52.47 1wgk s GLU 59 Cb 0.06 -2.49 -0.14 0.00 -1.78 0.00 0.00 34.13 29.79 1wgk s GLU 59 CO 0.37 -0.86 1.40 0.54 -0.49 0.00 0.00 175.26 176.22 1wgk n ARG 60 N -2.16 1.98 0.03 1.61 1.74 -1.26 -4.92 116.66 113.68 1wgk n ARG 60 Ca 0.12 0.71 -0.13 0.00 -0.77 0.00 0.00 57.85 57.78 1wgk n ARG 60 Cb 0.63 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.62 1wgk n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1wgk h PRO 61 N 4.26 -0.11 -0.89 5.56 0.13 -1.91 -3.16 132.00 135.88 1wgk h PRO 61 Ca -0.45 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1wgk h PRO 61 Cb 1.28 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1wgk h PRO 61 CO 0.76 0.34 0.60 1.05 -0.23 0.00 0.00 178.00 180.52 1wgk h GLU 62 N -0.60 0.26 -0.92 0.86 4.11 -1.84 1.17 114.58 117.62 1wgk h GLU 62 Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1wgk h GLU 62 Cb 0.50 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1wgk h GLU 62 CO 0.02 0.17 0.56 1.25 0.07 0.00 0.00 179.01 181.08 1wgk h LEU 63 N 0.26 1.10 0.00 3.06 5.85 -1.94 -3.36 115.31 120.29 1wgk h LEU 63 Ca 0.45 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1wgk h LEU 63 Cb 1.34 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1wgk h LEU 63 CO -0.12 0.84 -0.85 0.33 -0.34 0.00 0.00 178.44 178.29 1wgk n PHE 64 N -4.36 0.09 -4.57 1.25 7.35 0.45 -5.03 117.46 112.64 1wgk n PHE 64 Ca 0.10 0.04 -0.24 0.00 -0.76 0.00 0.00 57.45 56.59 1wgk n PHE 64 Cb 0.05 -0.48 -0.14 0.00 0.35 0.00 0.00 39.48 39.27 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 -2.65 1.48 -0.54 -2.13 1.01 0.38 -4.25 121.20 114.49 1wgk s ILE 65 Ca -0.25 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 1wgk s ILE 65 Cb 0.03 -1.29 0.14 0.00 0.01 0.00 0.00 42.46 41.35 1wgk s ILE 65 CO 0.37 0.16 0.38 -1.58 0.00 0.00 0.00 174.94 174.27 1wgk s GLN 66 N -1.10 2.48 0.00 2.79 2.00 -1.23 -2.44 119.66 122.15 1wgk s GLN 66 Ca 0.06 -2.14 0.00 0.00 -2.00 0.00 0.00 55.36 51.28 1wgk s GLN 66 Cb -0.08 -3.80 0.00 0.00 0.80 0.00 0.00 33.01 29.92 1wgk s GLN 66 CO 0.01 -1.16 0.00 0.41 -0.50 0.00 0.00 175.29 174.05 1wgk n GLY 67 N 4.19 -1.44 0.46 2.59 0.00 -1.26 -4.23 105.19 105.51 1wgk n GLY 67 Ca 0.02 -1.58 0.37 0.00 0.00 0.00 0.00 46.02 44.83 1wgk n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wgk n ASP 68 N -1.97 0.10 -4.83 1.61 5.75 -1.26 -4.18 116.55 111.77 1wgk n ASP 68 Ca 0.00 1.00 -0.36 0.00 -0.01 0.00 0.00 54.79 55.42 1wgk n ASP 68 Cb 0.00 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.54 1wgk n ASP 68 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1wgk s SER 69 N -4.15 6.92 0.45 -1.12 1.04 -1.26 -4.66 113.70 110.92 1wgk s SER 69 Ca -0.05 1.19 -0.23 0.00 0.48 0.00 0.00 55.95 57.34 1wgk s SER 69 Cb 0.24 -2.33 -0.08 0.00 0.10 0.00 0.00 66.02 63.95 1wgk s SER 69 CO 0.69 0.10 1.14 0.68 0.98 0.00 0.00 173.24 176.83 1wgk s VAL 70 N -1.44 3.27 0.99 5.02 -7.23 -1.26 -3.52 120.40 116.23 1wgk s VAL 70 Ca 0.38 0.95 -0.14 0.00 -1.81 0.00 0.00 61.98 61.36 1wgk s VAL 70 Cb -0.16 -3.48 0.06 0.00 0.56 0.00 0.00 36.38 33.36 1wgk s VAL 70 CO 0.20 -0.01 0.35 0.54 -0.31 0.00 0.00 175.10 175.86 1wgk n ARG 71 N -0.41 -0.62 0.00 4.82 1.74 -1.26 -4.76 116.66 116.17 1wgk n ARG 71 Ca 0.07 -0.14 0.05 0.00 -0.77 0.00 0.00 57.85 57.05 1wgk n ARG 71 Cb 0.49 -1.84 0.30 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.91 0.49 -0.04 5.56 -0.04 -1.26 -2.75 135.00 135.05 1wgk n PRO 72 Ca 0.05 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 1wgk n PRO 72 Cb 0.55 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.29 3.62 0.55 0.00 -1.26 -4.96 105.19 102.83 1wgk n GLY 73 Ca 0.08 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.55 -0.49 -0.61 -1.09 -1.11 -3.90 121.20 115.35 1wgk s ILE 74 Ca -0.08 0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 58.75 1wgk s ILE 74 Cb 0.03 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.37 1wgk s ILE 74 CO 0.29 -0.27 0.63 -0.76 -1.23 0.00 0.00 174.94 173.59 1wgk s LEU 75 N 5.73 4.84 0.32 2.97 1.43 0.97 -4.77 118.68 130.17 1wgk s LEU 75 Ca 0.77 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1wgk s LEU 75 Cb -0.26 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1wgk s LEU 75 CO 0.31 -0.86 0.52 0.68 0.23 0.00 0.00 176.35 177.23 1wgk s VAL 76 N 2.68 5.12 -0.20 -1.59 -7.23 -1.26 -0.28 120.40 117.64 1wgk s VAL 76 Ca 0.17 -0.48 -0.10 0.00 -1.81 0.00 0.00 61.98 59.76 1wgk s VAL 76 Cb -0.18 -3.85 0.07 0.00 0.56 0.00 0.00 36.38 32.99 1wgk s VAL 76 CO 0.14 -0.50 0.46 -0.76 -0.31 0.00 0.00 175.10 174.13 1wgk s LEU 77 N -4.17 -0.37 -0.26 1.32 1.43 0.78 -4.13 118.68 113.29 1wgk s LEU 77 Ca 0.39 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.43 1wgk s LEU 77 Cb -0.10 1.54 -0.04 0.00 0.03 0.00 0.00 46.19 47.62 1wgk s LEU 77 CO 0.34 -0.21 0.13 -0.63 0.23 0.00 0.00 176.35 176.21 1wgk s ILE 78 N 1.73 4.84 -1.35 -0.59 1.01 -0.07 -0.68 121.20 126.09 1wgk s ILE 78 Ca -0.08 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1wgk s ILE 78 Cb -0.09 -3.28 0.09 0.00 0.01 0.00 0.00 42.46 39.20 1wgk s ILE 78 CO -0.14 0.31 0.55 0.59 0.00 0.00 0.00 174.94 176.25 1wgk n ASN 79 N 4.81 -3.59 -1.98 3.58 4.13 -0.54 -0.46 115.26 121.20 1wgk n ASN 79 Ca -0.15 -0.51 -0.10 0.00 1.68 0.00 0.00 54.58 55.50 1wgk n ASN 79 Cb 0.52 -2.97 0.04 0.00 -1.54 0.00 0.00 39.78 35.83 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 -2.36 -3.24 -3.68 6.41 9.92 -1.26 -5.04 116.55 117.30 1wgk n ASP 80 Ca 0.01 -0.26 -0.09 0.00 -0.53 0.00 0.00 54.79 53.91 1wgk n ASP 80 Cb 0.53 -2.58 -0.10 0.00 -0.64 0.00 0.00 41.12 38.33 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 -3.15 -1.15 -0.23 2.24 0.00 0.39 -5.12 121.76 114.74 1wgk s ALA 81 Ca 0.17 1.58 -0.40 0.00 0.00 0.00 0.00 51.96 53.31 1wgk s ALA 81 Cb -0.07 -1.12 -0.16 0.00 0.00 0.00 0.00 23.12 21.77 1wgk s ALA 81 CO 0.33 -0.47 1.68 -0.25 0.00 0.00 0.00 175.76 177.06 1wgk n ASP 82 N 4.71 2.26 0.25 0.00 9.92 -1.26 -0.89 116.55 131.53 1wgk n ASP 82 Ca -0.17 1.08 0.17 0.00 -0.53 0.00 0.00 54.79 55.34 1wgk n ASP 82 Cb 0.53 -1.14 0.88 0.00 -0.64 0.00 0.00 41.12 40.75 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1wgk h TRP 83 N 6.79 0.00 0.00 1.24 5.08 -1.91 -0.90 115.95 126.25 1wgk h TRP 83 Ca -0.47 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.42 1wgk h TRP 83 Cb 1.32 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.47 1wgk h TRP 83 CO 0.74 0.00 -0.39 0.93 -1.28 0.00 0.00 178.44 178.44 1wgk h GLU 84 N 0.00 0.00 0.11 0.12 5.08 -1.90 0.18 114.58 118.18 1wgk h GLU 84 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1wgk h GLU 84 Cb 0.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.36 1wgk h GLU 84 CO 0.00 0.39 -1.21 -0.07 -1.00 0.00 0.00 179.01 177.12 1wgk h LEU 85 N 0.00 0.73 0.00 1.33 4.07 -1.52 -3.40 115.31 116.52 1wgk h LEU 85 Ca -0.00 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1wgk h LEU 85 Cb 0.93 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1wgk h LEU 85 CO 0.05 1.50 -0.10 -0.07 -1.08 0.00 0.00 178.44 178.74 1wgk h LEU 86 N 0.22 0.00 -5.03 1.67 3.38 -1.55 -3.49 115.31 110.51 1wgk h LEU 86 Ca -0.17 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.99 1wgk h LEU 86 Cb 1.89 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.47 1wgk h LEU 86 CO 0.22 0.23 -0.02 -0.83 0.09 0.00 0.00 178.44 178.13 1wgk s GLY 87 N -2.87 -1.60 0.15 0.83 0.00 0.36 -4.73 107.32 99.48 1wgk s GLY 87 Ca -0.03 1.59 -0.15 0.00 0.00 0.00 0.00 44.72 46.12 1wgk s GLY 87 CO 0.04 4.47 1.13 1.18 0.00 0.00 0.00 173.10 179.92 1wgk n GLU 88 N 3.54 -0.21 0.00 2.90 1.02 0.34 -0.71 120.64 127.52 1wgk n GLU 88 Ca 0.04 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 1wgk n GLU 88 Cb 0.65 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1wgk n GLU 88 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wgk n LEU 89 N -5.03 0.00 0.17 -4.62 4.77 -1.26 -4.52 117.00 106.52 1wgk n LEU 89 Ca 0.06 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.17 1wgk n LEU 89 Cb 0.26 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.88 1wgk n LEU 89 CO -0.10 0.00 0.90 -0.78 -1.33 0.00 0.00 177.39 176.07 1wgk h ASP 90 N 0.00 0.00 -3.52 -1.43 1.82 -1.91 -3.39 116.42 107.99 1wgk h ASP 90 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1wgk h ASP 90 Cb 0.59 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.60 1wgk h ASP 90 CO 0.00 0.00 0.49 -0.47 -1.61 0.00 0.00 179.24 177.65 1wgk s TYR 91 N -3.39 3.55 -0.25 0.28 6.14 0.11 -4.92 117.35 118.87 1wgk s TYR 91 Ca 0.04 1.55 -0.06 0.00 0.64 0.00 0.00 57.07 59.24 1wgk s TYR 91 Cb 0.09 -3.31 -0.01 0.00 0.42 0.00 0.00 41.96 39.15 1wgk s TYR 91 CO 0.47 -0.74 0.04 -0.65 0.64 0.00 0.00 175.55 175.30 1wgk s GLN 92 N -0.22 3.42 0.07 4.97 -0.21 -1.26 -2.70 119.66 123.73 1wgk s GLN 92 Ca 0.51 -0.62 -0.31 0.00 0.02 0.00 0.00 55.36 54.95 1wgk s GLN 92 Cb -0.30 -3.23 -0.06 0.00 1.00 0.00 0.00 33.01 30.42 1wgk s GLN 92 CO 0.35 -0.26 1.28 -0.51 -2.12 0.00 0.00 175.29 174.02 1wgk s LEU 93 N 1.54 4.36 0.00 2.90 1.43 -0.66 -4.96 118.68 123.30 1wgk s LEU 93 Ca 0.05 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 1wgk s LEU 93 Cb -0.15 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.55 1wgk s LEU 93 CO 0.01 -0.55 0.48 0.00 0.23 0.00 0.00 176.35 176.52 1wgk n GLN 94 N 4.08 0.48 -2.12 1.70 1.13 -1.26 -4.24 117.38 117.15 1wgk n GLN 94 Ca 0.10 -1.52 -0.40 0.00 -1.94 0.00 0.00 57.00 53.25 1wgk n GLN 94 Cb 0.45 -0.25 -0.01 0.00 0.11 0.00 0.00 30.24 30.53 1wgk n GLN 94 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wgk s ASP 95 N -3.02 6.54 -1.24 1.08 -4.77 -1.26 -3.29 116.67 110.71 1wgk s ASP 95 Ca 0.33 2.61 -0.00 0.00 -3.30 0.00 0.00 52.55 52.20 1wgk s ASP 95 Cb -0.02 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1wgk s ASP 95 CO 0.22 -0.69 0.90 0.00 0.70 0.00 0.00 175.17 176.30 1wgk n GLN 96 N 0.40 -6.07 -3.77 2.11 1.13 -1.09 -4.98 117.38 105.11 1wgk n GLN 96 Ca 0.02 0.77 -0.37 0.00 -1.94 0.00 0.00 57.00 55.48 1wgk n GLN 96 Cb 0.43 -5.64 -0.06 0.00 0.11 0.00 0.00 30.24 25.09 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 -4.34 6.51 -0.22 1.08 -1.08 -1.21 -4.98 116.67 112.43 1wgk s ASP 97 Ca 0.01 0.61 -0.08 0.00 -0.52 0.00 0.00 52.55 52.57 1wgk s ASP 97 Cb -0.01 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.29 1wgk s ASP 97 CO 0.76 0.38 0.09 -0.55 0.52 0.00 0.00 175.17 176.37 1wgk s SER 98 N -1.05 5.63 0.01 -0.34 0.15 -1.26 -2.55 113.70 114.30 1wgk s SER 98 Ca 0.18 0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.92 1wgk s SER 98 Cb -0.13 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1wgk s SER 98 CO 0.07 0.09 -0.23 -0.63 1.20 0.00 0.00 173.24 173.74 1wgk s ILE 99 N 0.88 1.82 0.00 6.45 -1.09 -0.83 -1.47 121.20 126.95 1wgk s ILE 99 Ca 0.05 -1.12 0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1wgk s ILE 99 Cb -0.13 -1.54 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1wgk s ILE 99 CO 0.03 0.38 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.77 1wgk s LEU 100 N -0.87 2.06 -0.03 2.97 2.96 0.14 -1.45 118.68 124.46 1wgk s LEU 100 Ca 0.09 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1wgk s LEU 100 Cb -0.09 -0.62 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1wgk s LEU 100 CO 0.01 0.12 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.72 1wgk s PHE 101 N -0.42 0.90 -0.03 5.38 0.40 0.83 -0.15 117.98 124.88 1wgk s PHE 101 Ca 0.04 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1wgk s PHE 101 Cb -0.05 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1wgk s PHE 101 CO -0.00 -0.12 -0.16 0.42 0.70 0.00 0.00 175.22 176.05 1wgk s ILE 102 N 0.34 1.35 -0.30 0.64 1.01 0.61 0.54 121.20 125.40 1wgk s ILE 102 Ca -0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 1wgk s ILE 102 Cb -0.10 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 1wgk s ILE 102 CO 0.01 0.39 0.11 -0.44 0.00 0.00 0.00 174.94 175.01 1wgk s SER 103 N -0.08 5.30 -0.00 3.58 0.01 -1.26 -0.02 113.70 121.23 1wgk s SER 103 Ca -0.01 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.71 1wgk s SER 103 Cb -0.10 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1wgk s SER 103 CO 0.01 -0.18 0.08 1.07 0.41 0.00 0.00 173.24 174.64 1wgk n THR 104 N 4.92 0.00 -3.15 1.44 5.66 -1.25 -4.89 114.28 117.02 1wgk n THR 104 Ca -0.14 -0.18 -0.46 0.00 -3.05 0.00 0.00 64.05 60.22 1wgk n THR 104 Cb 0.49 0.61 -0.02 0.00 -1.55 0.00 0.00 70.33 69.86 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 -2.87 5.99 -1.11 1.09 0.20 -1.26 -4.97 118.68 115.75 1wgk s LEU 105 Ca -0.00 -2.40 -0.12 0.00 0.69 0.00 0.00 54.13 52.29 1wgk s LEU 105 Cb 0.02 -2.30 0.22 0.00 -0.43 0.00 0.00 46.19 43.70 1wgk s LEU 105 CO 0.12 -0.80 1.22 -2.28 -0.29 0.00 0.00 176.35 174.32 1wgk s HIS 106 N 1.31 3.80 0.00 5.38 5.65 -1.26 -4.83 115.29 125.34 1wgk s HIS 106 Ca 0.25 -2.28 0.00 0.00 0.25 0.00 0.00 55.06 53.27 1wgk s HIS 106 Cb -0.08 -4.08 0.00 0.00 -1.18 0.00 0.00 32.58 27.25 1wgk s HIS 106 CO -0.09 -1.19 0.00 0.41 -0.65 0.00 0.00 174.74 173.22 1wgk n GLY 107 N 3.65 0.87 0.00 1.59 0.00 -1.26 -5.03 105.19 105.02 1wgk n GLY 107 Ca 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.28 3.59 -0.02 0.00 -1.26 -5.02 105.19 102.76 1wgk n GLY 108 Ca 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.87 0.00 1.61 0.01 -1.26 -5.04 113.70 104.15 1wgk s SER 109 Ca 0.00 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1wgk s SER 109 Cb 0.00 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1wgk s SER 109 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wgk n GLY 110 N 4.09 -1.24 0.00 3.44 0.00 -1.26 -4.95 105.19 105.27 1wgk n GLY 110 Ca -0.20 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 0.25 -1.68 1.61 -0.04 -1.26 -4.82 135.00 129.06 1wgk n PRO 111 Ca 0.00 0.13 -0.55 0.00 -0.04 0.00 0.00 63.50 63.04 1wgk n PRO 111 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1wgk n PRO 111 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wgk n SER 112 N -1.25 2.58 -2.38 3.54 3.41 -1.26 -4.85 113.62 113.41 1wgk n SER 112 Ca 0.08 0.99 -0.31 0.00 -0.26 0.00 0.00 58.87 59.36 1wgk n SER 112 Cb 0.11 -1.20 0.04 0.00 -0.26 0.00 0.00 64.21 62.90 1wgk n SER 112 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wgk n SER 113 N 6.11 6.36 0.00 4.04 7.64 -1.26 -5.22 113.62 131.29 1wgk n SER 113 Ca 0.27 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.38 1wgk n SER 113 Cb 0.17 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1wgk n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64