#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 -0.20 0.03 1.61 0.15 -1.26 -5.04 113.70 109.00 1wgk s SER 2 Ca 0.00 -0.49 -0.28 0.00 0.70 0.00 0.00 55.95 55.88 1wgk s SER 2 Cb 0.00 0.58 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 1wgk s SER 2 CO 0.00 -1.07 0.66 -0.55 1.20 0.00 0.00 173.24 173.48 1wgk s SER 3 N -2.95 -0.61 0.00 5.45 0.15 -1.26 -5.10 113.70 109.38 1wgk s SER 3 Ca 0.12 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1wgk s SER 3 Cb -0.03 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1wgk s SER 3 CO 0.04 -0.75 0.20 0.61 1.20 0.00 0.00 173.24 174.54 1wgk n GLY 4 N 0.36 -1.48 3.02 9.45 0.00 -1.26 -4.20 105.19 111.08 1wgk n GLY 4 Ca -0.18 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.21 4.56 -0.17 1.61 0.01 -1.26 -5.08 113.70 111.16 1wgk s SER 5 Ca 0.00 -1.81 -0.13 0.00 1.31 0.00 0.00 55.95 55.31 1wgk s SER 5 Cb 0.00 -1.53 0.05 0.00 0.21 0.00 0.00 66.02 64.74 1wgk s SER 5 CO 0.00 -0.31 0.44 -0.94 0.41 0.00 0.00 173.24 172.84 1wgk s SER 6 N 1.04 -0.49 -0.39 2.44 1.04 -1.26 -5.08 113.70 111.01 1wgk s SER 6 Ca 0.03 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.41 1wgk s SER 6 Cb -0.19 0.87 0.32 0.00 0.10 0.00 0.00 66.02 67.11 1wgk s SER 6 CO -0.08 -0.17 1.27 0.61 0.98 0.00 0.00 173.24 175.85 1wgk n GLY 7 N 3.29 -0.44 0.27 7.32 0.00 -1.26 -4.08 105.19 110.29 1wgk n GLY 7 Ca -0.16 0.42 0.18 0.00 0.00 0.00 0.00 46.02 46.46 1wgk n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1wgk h MET 8 N 2.48 0.00 -7.15 1.61 2.86 -1.94 -3.44 114.93 109.36 1wgk h MET 8 Ca -0.23 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 56.99 1wgk h MET 8 Cb 1.17 0.00 0.21 0.00 0.06 0.00 0.00 31.60 33.04 1wgk h MET 8 CO 0.04 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 178.01 1wgk s ALA 9 N -3.89 -0.42 0.15 6.32 0.00 -1.26 -5.04 121.76 117.62 1wgk s ALA 9 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1wgk s ALA 9 Cb 0.10 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1wgk s ALA 9 CO 0.32 -3.98 -0.09 0.00 0.00 0.00 0.00 175.76 172.01 1wgk s ALA 10 N -2.49 1.46 0.11 0.00 0.00 -1.26 -4.59 121.76 114.98 1wgk s ALA 10 Ca 0.68 -1.51 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1wgk s ALA 10 Cb -0.20 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 1wgk s ALA 10 CO 0.62 -0.11 1.36 -1.25 0.00 0.00 0.00 175.76 176.37 1wgk s PRO 11 N -3.76 4.34 0.16 0.00 0.04 -1.26 -4.16 135.00 130.35 1wgk s PRO 11 Ca 0.17 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1wgk s PRO 11 Cb 0.03 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1wgk s PRO 11 CO 0.01 -0.40 0.16 -0.48 0.04 0.00 0.00 177.00 176.33 1wgk s LEU 12 N 1.02 3.91 -0.09 -3.56 2.34 0.68 -4.90 118.68 118.09 1wgk s LEU 12 Ca 0.63 -0.06 0.04 0.00 0.06 0.00 0.00 54.13 54.80 1wgk s LEU 12 Cb -0.36 -2.52 -0.00 0.00 -0.56 0.00 0.00 46.19 42.75 1wgk s LEU 12 CO 0.31 0.07 -0.24 0.00 -1.06 0.00 0.00 176.35 175.43 1wgk s VAL 14 N 0.27 1.26 -0.36 0.00 -7.23 0.34 -2.02 120.40 112.65 1wgk s VAL 14 Ca -0.16 -1.38 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 1wgk s VAL 14 Cb -0.17 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 35.60 1wgk s VAL 14 CO 0.08 -0.20 0.17 -0.54 -0.31 0.00 0.00 175.10 174.31 1wgk s LYS 15 N -1.83 2.77 -0.22 4.82 1.02 -0.92 -0.96 119.74 124.43 1wgk s LYS 15 Ca 0.00 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.79 1wgk s LYS 15 Cb -0.10 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 1wgk s LYS 15 CO 0.03 -0.68 0.13 0.08 -0.92 0.00 0.00 175.35 173.99 1wgk s VAL 16 N 1.51 5.21 -0.09 3.17 1.01 -0.43 -1.98 120.40 128.80 1wgk s VAL 16 Ca 0.01 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1wgk s VAL 16 Cb -0.19 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wgk s VAL 16 CO 0.05 0.38 -0.24 -0.70 0.00 0.00 0.00 175.10 174.60 1wgk s GLU 17 N 0.85 2.96 0.04 2.72 2.12 -0.57 -0.16 118.70 126.67 1wgk s GLU 17 Ca 0.07 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.56 1wgk s GLU 17 Cb -0.13 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 1wgk s GLU 17 CO 0.03 0.22 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.86 1wgk s PHE 18 N 0.25 2.91 0.04 5.30 0.40 -1.09 -1.97 117.98 123.82 1wgk s PHE 18 Ca -0.16 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1wgk s PHE 18 Cb -0.17 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1wgk s PHE 18 CO 0.08 0.42 -0.08 0.20 0.70 0.00 0.00 175.22 176.54 1wgk s GLY 19 N -1.81 0.52 0.00 4.36 0.00 -1.03 -4.69 107.32 104.68 1wgk s GLY 19 Ca 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1wgk s GLY 19 CO 0.12 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.09 1wgk n GLY 20 N 1.72 3.08 0.00 0.20 0.00 -1.26 -3.69 105.19 105.24 1wgk n GLY 20 Ca -0.21 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.04 0.33 -0.02 0.00 -1.26 -5.01 105.19 99.27 1wgk n GLY 21 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1wgk n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgk h ALA 22 N 0.00 1.72 -1.37 4.61 0.00 -1.91 0.17 119.26 122.48 1wgk h ALA 22 Ca 0.00 0.18 0.48 0.00 0.00 0.00 0.00 54.91 55.57 1wgk h ALA 22 Cb 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 1wgk h ALA 22 CO 0.00 -0.46 0.87 1.05 0.00 0.00 0.00 179.25 180.71 1wgk h GLU 23 N 0.36 0.00 -0.76 0.00 9.09 -1.83 1.12 114.58 122.56 1wgk h GLU 23 Ca 0.66 -0.00 0.07 0.00 0.05 0.00 0.00 59.36 60.14 1wgk h GLU 23 Cb 1.39 -0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.43 1wgk h GLU 23 CO -0.58 0.00 0.44 -0.07 0.05 0.00 0.00 179.01 178.85 1wgk h LEU 24 N 0.00 0.65 0.00 3.06 3.38 -0.96 0.26 115.31 121.71 1wgk h LEU 24 Ca 0.88 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.89 1wgk h LEU 24 Cb 2.82 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 43.47 1wgk h LEU 24 CO -0.49 0.41 0.00 0.18 0.09 0.00 0.00 178.44 178.63 1wgk n LEU 25 N -4.73 0.00 -3.57 1.67 4.77 0.38 -3.12 117.00 112.40 1wgk n LEU 25 Ca 0.11 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 56.06 1wgk n LEU 25 Cb 0.20 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1wgk n LEU 25 CO 0.29 -0.18 -0.28 -0.36 -1.33 0.00 0.00 177.39 175.53 1wgk s PHE 26 N -2.52 1.37 -0.12 -1.77 0.40 0.74 0.08 117.98 116.17 1wgk s PHE 26 Ca 0.10 -2.08 0.00 0.00 -0.60 0.00 0.00 56.93 54.35 1wgk s PHE 26 Cb 0.06 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1wgk s PHE 26 CO 0.14 -0.80 0.00 -0.25 0.70 0.00 0.00 175.22 175.01 1wgk n ASP 27 N 3.66 -1.26 -3.66 1.36 9.92 -1.25 -2.13 116.55 123.18 1wgk n ASP 27 Ca 0.13 0.44 -0.24 0.00 -0.53 0.00 0.00 54.79 54.59 1wgk n ASP 27 Cb 0.37 -1.23 0.01 0.00 -0.64 0.00 0.00 41.12 39.63 1wgk n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wgk n GLY 28 N -0.50 -0.74 3.02 0.44 0.00 -0.09 -4.94 105.19 102.38 1wgk n GLY 28 Ca -0.02 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.29 0.54 0.00 1.61 1.01 -0.90 -4.85 120.40 114.52 1wgk s VAL 29 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1wgk s VAL 29 Cb -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1wgk s VAL 29 CO 0.64 -0.10 0.50 0.29 0.00 0.00 0.00 175.10 176.42 1wgk n LYS 30 N 2.23 0.00 -3.60 2.72 4.76 -1.26 -4.60 118.16 118.41 1wgk n LYS 30 Ca -0.17 0.48 -0.37 0.00 -2.87 0.00 0.00 58.31 55.38 1wgk n LYS 30 Cb 0.56 -1.24 -0.09 0.00 -1.84 0.00 0.00 35.03 32.43 1wgk n LYS 30 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wgk s LYS 31 N -1.96 4.11 -0.22 1.97 1.02 -1.26 -2.67 119.74 120.72 1wgk s LYS 31 Ca 0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 1wgk s LYS 31 Cb 0.00 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1wgk s LYS 31 CO 0.00 0.06 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.40 1wgk s HIS 32 N 1.06 2.96 -0.59 3.18 3.76 0.77 -4.97 115.29 121.46 1wgk s HIS 32 Ca 0.10 -1.22 -0.23 0.00 -0.15 0.00 0.00 55.06 53.56 1wgk s HIS 32 Cb -0.14 -2.06 0.06 0.00 1.11 0.00 0.00 32.58 31.54 1wgk s HIS 32 CO 0.05 -0.64 0.92 -0.65 -0.85 0.00 0.00 174.74 173.56 1wgk s GLN 33 N 1.41 3.22 -0.00 1.40 -0.21 -1.26 -1.31 119.66 122.90 1wgk s GLN 33 Ca 0.04 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 54.80 1wgk s GLN 33 Cb -0.15 -4.13 -0.05 0.00 1.00 0.00 0.00 33.01 29.69 1wgk s GLN 33 CO -0.05 -1.59 0.24 0.08 -2.12 0.00 0.00 175.29 171.84 1wgk s VAL 34 N 3.85 5.34 -0.56 1.09 1.01 -0.14 -4.96 120.40 126.04 1wgk s VAL 34 Ca 0.25 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1wgk s VAL 34 Cb -0.15 -3.55 0.16 0.00 0.00 0.00 0.00 36.38 32.84 1wgk s VAL 34 CO 0.15 0.36 0.39 0.00 0.00 0.00 0.00 175.10 176.00 1wgk s ALA 35 N -1.30 2.80 0.47 5.51 0.00 -1.26 -0.50 121.76 127.48 1wgk s ALA 35 Ca 0.27 -3.19 -0.25 0.00 0.00 0.00 0.00 51.96 48.79 1wgk s ALA 35 Cb -0.13 -1.95 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 1wgk s ALA 35 CO 0.16 -2.05 1.42 -0.51 0.00 0.00 0.00 175.76 174.78 1wgk s LEU 36 N -0.65 4.06 0.00 0.00 1.43 0.24 -4.78 118.68 118.99 1wgk s LEU 36 Ca 0.26 2.89 -0.08 0.00 -1.03 0.00 0.00 54.13 56.17 1wgk s LEU 36 Cb -0.07 -4.00 0.12 0.00 0.03 0.00 0.00 46.19 42.27 1wgk s LEU 36 CO -0.14 -1.26 0.42 -0.81 0.23 0.00 0.00 176.35 174.79 1wgk n PRO 37 N -0.36 -1.84 -5.04 1.29 -0.04 -1.26 -0.23 135.00 127.52 1wgk n PRO 37 Ca 0.06 -0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 62.53 1wgk n PRO 37 Cb 0.42 -0.63 -0.15 0.00 -0.04 0.00 0.00 33.50 33.11 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 -3.25 1.42 0.21 0.55 0.00 -1.26 -4.05 107.32 100.95 1wgk s GLY 38 Ca 0.27 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.88 1wgk s GLY 38 CO 0.21 -0.55 0.43 -0.86 0.00 0.00 0.00 173.10 172.33 1wgk s GLN 39 N -0.17 1.39 0.32 2.90 -2.07 -1.26 -4.83 119.66 115.94 1wgk s GLN 39 Ca -0.02 -1.14 0.10 0.00 -1.82 0.00 0.00 55.36 52.48 1wgk s GLN 39 Cb -0.14 0.45 0.90 0.00 -1.09 0.00 0.00 33.01 33.14 1wgk s GLN 39 CO 0.04 -0.57 1.73 1.49 -1.32 0.00 0.00 175.29 176.66 1wgk h GLU 40 N 2.32 0.56 -5.69 9.60 4.81 -1.88 -3.40 114.58 120.90 1wgk h GLU 40 Ca -0.28 -0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 58.25 1wgk h GLU 40 Cb 1.25 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.40 1wgk h GLU 40 CO 0.40 0.37 -0.53 -1.21 -0.73 0.00 0.00 179.01 177.31 1wgk s GLU 41 N -5.76 3.39 0.67 1.92 2.02 -1.26 -4.94 118.70 114.74 1wgk s GLU 41 Ca -0.11 -0.23 -0.15 0.00 0.02 0.00 0.00 54.97 54.51 1wgk s GLU 41 Cb 0.27 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1wgk s GLU 41 CO 0.80 0.69 1.11 -1.25 0.02 0.00 0.00 175.26 176.63 1wgk s PRO 42 N -0.81 2.76 0.01 0.39 0.04 -1.26 -4.98 135.00 131.16 1wgk s PRO 42 Ca 0.13 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1wgk s PRO 42 Cb -0.12 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1wgk s PRO 42 CO 0.03 -1.28 1.26 -1.58 0.04 0.00 0.00 177.00 175.47 1wgk s TRP 43 N -2.38 3.21 0.18 0.56 0.52 -1.26 -4.93 118.94 114.84 1wgk s TRP 43 Ca 0.66 1.14 0.11 0.00 0.02 0.00 0.00 56.10 58.03 1wgk s TRP 43 Cb -0.20 -3.49 -0.04 0.00 -1.15 0.00 0.00 33.47 28.58 1wgk s TRP 43 CO 0.43 -1.63 -0.22 -0.51 0.02 0.00 0.00 176.95 175.03 1wgk s ASP 44 N 1.38 3.56 0.22 2.95 1.01 -1.26 0.01 116.67 124.53 1wgk s ASP 44 Ca 0.59 -0.79 -0.12 0.00 0.71 0.00 0.00 52.55 52.94 1wgk s ASP 44 Cb -0.29 -0.33 0.28 0.00 1.01 0.00 0.00 42.92 43.59 1wgk s ASP 44 CO 0.26 0.13 1.34 -0.38 0.21 0.00 0.00 175.17 176.73 1wgk n ILE 45 N 0.36 -0.42 -0.09 0.77 2.08 -1.02 -0.29 119.36 120.75 1wgk n ILE 45 Ca -0.13 2.00 -0.14 0.00 0.56 0.00 0.00 62.75 65.04 1wgk n ILE 45 Cb 0.55 -2.69 -0.10 0.00 -0.75 0.00 0.00 39.64 36.65 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 -0.45 -0.95 0.38 2.43 -1.79 0.66 114.38 114.66 1wgk h ARG 46 Ca 0.34 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1wgk h ARG 46 Cb 0.56 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 1wgk h ARG 46 CO -0.87 -0.30 0.63 -0.91 -1.51 0.00 0.00 179.97 177.01 1wgk h ASN 47 N -0.46 1.08 -0.14 -3.80 -0.26 -1.00 -2.82 115.58 108.18 1wgk h ASN 47 Ca 0.06 -0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.82 1wgk h ASN 47 Cb 0.63 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 37.57 1wgk h ASN 47 CO -0.54 0.78 -0.20 0.25 -1.06 0.00 0.00 177.43 176.67 1wgk h LEU 48 N 1.28 -0.62 -0.40 1.61 5.85 0.78 -2.94 115.31 120.86 1wgk h LEU 48 Ca 0.35 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.21 1wgk h LEU 48 Cb -0.13 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1wgk h LEU 48 CO -0.08 -0.25 -0.24 0.18 -0.34 0.00 0.00 178.44 177.71 1wgk n LEU 49 N -5.34 -0.43 -0.09 2.25 7.99 0.08 -1.05 117.00 120.41 1wgk n LEU 49 Ca -0.03 1.19 -0.03 0.00 -0.01 0.00 0.00 56.01 57.14 1wgk n LEU 49 Cb 0.25 -0.33 -0.02 0.00 -0.11 0.00 0.00 43.42 43.21 1wgk n LEU 49 CO 0.19 -0.82 0.50 0.58 -1.51 0.00 0.00 177.39 176.33 1wgk h VAL 50 N 0.00 0.00 -0.93 4.08 2.07 -1.60 0.79 116.25 120.65 1wgk h VAL 50 Ca 0.06 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.81 1wgk h VAL 50 Cb 0.17 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.76 1wgk h VAL 50 CO -0.38 0.00 -0.04 -0.25 0.02 0.00 0.00 177.57 176.92 1wgk h TRP 51 N -0.02 -0.16 -0.02 1.57 7.01 -1.26 2.25 115.95 125.32 1wgk h TRP 51 Ca 0.03 0.07 -0.09 0.00 2.11 0.00 0.00 58.89 61.02 1wgk h TRP 51 Cb 0.11 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1wgk h TRP 51 CO -0.90 -0.39 -0.41 0.82 -2.79 0.00 0.00 178.44 174.78 1wgk h ILE 52 N 0.03 1.30 0.00 2.65 2.04 0.89 0.14 117.51 124.56 1wgk h ILE 52 Ca 0.53 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1wgk h ILE 52 Cb 0.99 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1wgk h ILE 52 CO -0.88 0.41 -0.54 0.29 0.00 0.00 0.00 178.15 177.43 1wgk n LYS 53 N -4.05 0.06 -0.07 2.37 5.02 0.45 0.17 118.16 122.11 1wgk n LYS 53 Ca -0.02 0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1wgk n LYS 53 Cb 0.44 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.62 0.44 0.00 1.97 5.02 0.65 -4.56 118.16 120.06 1wgk n LYS 54 Ca 0.05 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1wgk n LYS 54 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1wgk n LYS 54 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1wgk n ASN 55 N -4.36 0.00 -0.27 4.39 0.23 -0.00 -4.55 115.26 110.69 1wgk n ASN 55 Ca -0.09 0.09 0.05 0.00 -0.53 0.00 0.00 54.58 54.09 1wgk n ASN 55 Cb 0.34 -0.37 0.11 0.00 -2.08 0.00 0.00 39.78 37.78 1wgk n ASN 55 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1wgk n LEU 56 N -2.09 -0.27 -4.62 -4.53 7.94 -1.19 -3.94 117.00 108.31 1wgk n LEU 56 Ca 0.00 1.31 -0.43 0.00 -1.11 0.00 0.00 56.01 55.78 1wgk n LEU 56 Cb 0.00 -0.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.53 1wgk n LEU 56 CO 0.00 -1.26 1.38 -0.22 -1.11 0.00 0.00 177.39 176.18 1wgk s LEU 57 N -10.47 3.82 0.00 -1.96 2.96 0.44 -4.19 118.68 109.28 1wgk s LEU 57 Ca -0.11 1.51 0.26 0.00 -0.22 0.00 0.00 54.13 55.57 1wgk s LEU 57 Cb 0.21 -3.53 0.66 0.00 0.50 0.00 0.00 46.19 44.03 1wgk s LEU 57 CO 0.59 -1.33 1.52 1.17 -1.32 0.00 0.00 176.35 176.99 1wgk n LYS 58 N 7.79 1.83 -3.20 1.98 3.00 0.11 -4.68 118.16 124.99 1wgk n LYS 58 Ca 0.19 -1.29 -0.14 0.00 -0.00 0.00 0.00 58.31 57.07 1wgk n LYS 58 Cb 0.46 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 33.98 1wgk n LYS 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wgk n GLU 59 N 0.54 1.19 -1.96 1.64 1.02 -1.22 -5.02 120.64 116.83 1wgk n GLU 59 Ca 0.16 -1.68 -0.42 0.00 -0.02 0.00 0.00 57.16 55.20 1wgk n GLU 59 Cb 0.45 0.61 -0.03 0.00 -0.02 0.00 0.00 31.44 32.46 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wgk s ARG 60 N -2.81 4.23 -0.02 3.49 1.81 -1.26 -4.94 118.95 119.45 1wgk s ARG 60 Ca 0.04 2.33 -0.25 0.00 -1.72 0.00 0.00 55.73 56.13 1wgk s ARG 60 Cb 0.00 -3.14 -0.19 0.00 -0.45 0.00 0.00 34.95 31.16 1wgk s ARG 60 CO 0.03 -0.55 1.22 -1.00 -0.68 0.00 0.00 175.30 174.32 1wgk h PRO 61 N 6.28 -0.07 -1.10 3.54 0.13 -1.85 -3.09 132.00 135.83 1wgk h PRO 61 Ca -0.44 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.02 1wgk h PRO 61 Cb 1.21 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1wgk h PRO 61 CO 0.87 0.39 0.98 1.05 -0.23 0.00 0.00 178.00 181.06 1wgk h GLU 62 N -0.56 0.00 0.09 0.86 -0.00 -1.88 0.75 114.58 113.83 1wgk h GLU 62 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1wgk h GLU 62 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.24 1wgk h GLU 62 CO 0.01 0.00 -0.04 -0.07 -0.00 0.00 0.00 179.01 178.91 1wgk h LEU 63 N 0.00 -0.10 0.21 3.06 4.07 -1.94 -3.40 115.31 117.21 1wgk h LEU 63 Ca 0.52 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1wgk h LEU 63 Cb 2.47 0.03 0.00 0.00 1.08 0.00 0.00 40.66 44.24 1wgk h LEU 63 CO -0.01 0.56 -0.10 0.15 -1.08 0.00 0.00 178.44 177.96 1wgk h PHE 64 N -0.89 -0.26 -4.06 1.13 3.57 -0.70 -3.47 116.94 112.26 1wgk h PHE 64 Ca -0.01 -0.01 -0.47 0.00 3.53 0.00 0.00 57.97 61.01 1wgk h PHE 64 Cb 0.57 0.09 -0.25 0.00 2.79 0.00 0.00 35.95 39.15 1wgk h PHE 64 CO 0.12 -0.16 -0.80 0.42 -2.23 0.00 0.00 178.31 175.66 1wgk s ILE 65 N -2.46 1.22 -0.04 1.41 1.01 0.23 -4.46 121.20 118.11 1wgk s ILE 65 Ca -0.04 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.61 1wgk s ILE 65 Cb 0.00 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1wgk s ILE 65 CO 0.12 0.03 -0.17 -1.58 0.00 0.00 0.00 174.94 173.34 1wgk s GLN 66 N -1.17 2.41 4.21 2.79 -0.44 -1.25 -2.81 119.66 123.40 1wgk s GLN 66 Ca 0.03 -0.76 0.00 0.00 -2.50 0.00 0.00 55.36 52.13 1wgk s GLN 66 Cb -0.08 -2.29 0.00 0.00 -1.64 0.00 0.00 33.01 29.00 1wgk s GLN 66 CO 0.01 0.60 0.00 0.41 0.50 0.00 0.00 175.29 176.81 1wgk n GLY 67 N 2.36 0.81 0.02 2.59 0.00 -1.26 -3.81 105.19 105.90 1wgk n GLY 67 Ca -0.17 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 1.99 0.07 -4.92 1.61 5.68 -1.26 -4.97 116.55 114.76 1wgk n ASP 68 Ca 0.00 0.03 -0.20 0.00 -0.50 0.00 0.00 54.79 54.12 1wgk n ASP 68 Cb 0.00 1.86 -0.02 0.00 -1.14 0.00 0.00 41.12 41.82 1wgk n ASP 68 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1wgk s SER 69 N -4.60 5.19 0.26 -1.12 0.01 -1.25 -4.70 113.70 107.49 1wgk s SER 69 Ca -0.07 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 1wgk s SER 69 Cb 0.14 -0.53 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 1wgk s SER 69 CO 0.90 -0.72 1.11 0.68 0.41 0.00 0.00 173.24 175.61 1wgk s VAL 70 N -2.46 3.55 1.00 3.43 -7.23 -1.26 -3.90 120.40 113.52 1wgk s VAL 70 Ca 0.50 1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 62.01 1wgk s VAL 70 Cb -0.05 -3.96 -0.02 0.00 0.56 0.00 0.00 36.38 32.91 1wgk s VAL 70 CO 0.29 0.34 -0.16 0.54 -0.31 0.00 0.00 175.10 175.80 1wgk n ARG 71 N 1.46 -0.40 0.00 4.82 1.74 -1.26 -4.78 116.66 118.24 1wgk n ARG 71 Ca -0.00 -0.09 0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1wgk n ARG 71 Cb 0.45 -1.52 0.29 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.25 0.49 -0.03 5.56 -0.04 -1.26 -2.84 135.00 136.64 1wgk n PRO 72 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1wgk n PRO 72 Cb 0.58 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.01 -0.16 3.64 0.55 0.00 -1.26 -4.98 105.19 102.97 1wgk n GLY 73 Ca 0.07 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1wgk n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgk s ILE 74 N -2.11 3.72 -0.37 -0.61 -1.09 -1.13 -3.64 121.20 115.97 1wgk s ILE 74 Ca -0.05 0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 59.03 1wgk s ILE 74 Cb 0.02 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1wgk s ILE 74 CO 0.16 -0.22 0.45 -0.76 -1.23 0.00 0.00 174.94 173.34 1wgk s LEU 75 N 4.79 4.50 0.10 2.97 1.43 0.30 -4.70 118.68 128.06 1wgk s LEU 75 Ca 0.70 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1wgk s LEU 75 Cb -0.27 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1wgk s LEU 75 CO 0.28 -0.46 0.25 0.68 0.23 0.00 0.00 176.35 177.33 1wgk s VAL 76 N 2.22 5.35 -0.07 -1.59 -7.23 -1.26 0.09 120.40 117.91 1wgk s VAL 76 Ca 0.15 -0.52 -0.03 0.00 -1.81 0.00 0.00 61.98 59.77 1wgk s VAL 76 Cb -0.16 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.13 1wgk s VAL 76 CO 0.13 0.03 0.16 -0.76 -0.31 0.00 0.00 175.10 174.35 1wgk s LEU 77 N -2.85 0.72 -0.28 1.32 1.43 0.41 -3.84 118.68 115.59 1wgk s LEU 77 Ca 0.35 0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.70 1wgk s LEU 77 Cb -0.12 0.41 -0.00 0.00 0.03 0.00 0.00 46.19 46.50 1wgk s LEU 77 CO 0.28 -0.15 0.09 -0.63 0.23 0.00 0.00 176.35 176.17 1wgk s ILE 78 N 1.13 4.14 -1.49 -0.59 1.01 -0.38 -0.32 121.20 124.70 1wgk s ILE 78 Ca -0.09 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 1wgk s ILE 78 Cb -0.11 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.35 1wgk s ILE 78 CO -0.06 0.16 1.03 0.59 0.00 0.00 0.00 174.94 176.66 1wgk n ASN 79 N 4.90 -5.26 -2.85 3.58 3.02 0.13 -1.81 115.26 116.97 1wgk n ASN 79 Ca -0.15 -0.71 -0.15 0.00 -0.03 0.00 0.00 54.58 53.55 1wgk n ASN 79 Cb 0.49 -4.18 0.07 0.00 -0.61 0.00 0.00 39.78 35.55 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 -3.02 -3.65 6.41 8.00 -1.26 -5.03 116.55 115.13 1wgk n ASP 80 Ca 0.03 -0.45 -0.06 0.00 0.71 0.00 0.00 54.79 55.02 1wgk n ASP 80 Cb 0.53 -4.00 -0.07 0.00 -0.02 0.00 0.00 41.12 37.56 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 -3.26 -1.78 -0.11 2.24 0.00 -0.75 -5.13 121.76 112.97 1wgk s ALA 81 Ca 0.13 2.26 -0.41 0.00 0.00 0.00 0.00 51.96 53.95 1wgk s ALA 81 Cb -0.06 -1.44 -0.19 0.00 0.00 0.00 0.00 23.12 21.43 1wgk s ALA 81 CO 0.56 -0.51 1.27 -3.47 0.00 0.00 0.00 175.76 173.61 1wgk n ASP 82 N 4.62 0.70 0.23 0.00 2.03 -1.26 -1.25 116.55 121.62 1wgk n ASP 82 Ca -0.18 1.15 0.10 0.00 0.52 0.00 0.00 54.79 56.38 1wgk n ASP 82 Cb 0.56 -0.98 0.57 0.00 -0.72 0.00 0.00 41.12 40.55 1wgk n ASP 82 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1wgk h TRP 83 N 3.98 0.00 -0.51 -0.67 5.08 -1.91 -2.79 115.95 119.14 1wgk h TRP 83 Ca -0.49 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.37 1wgk h TRP 83 Cb 1.39 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.54 1wgk h TRP 83 CO 0.61 0.21 -0.12 0.93 -1.28 0.00 0.00 178.44 178.78 1wgk h GLU 84 N 0.00 0.95 -0.53 0.12 5.08 -1.88 0.48 114.58 118.80 1wgk h GLU 84 Ca -0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1wgk h GLU 84 Cb 0.54 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wgk h GLU 84 CO 0.03 1.01 0.12 -0.07 -1.00 0.00 0.00 179.01 179.09 1wgk h LEU 85 N 0.84 0.76 0.00 1.33 4.07 -1.86 -3.35 115.31 117.11 1wgk h LEU 85 Ca 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1wgk h LEU 85 Cb 0.66 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1wgk h LEU 85 CO 0.05 0.76 -0.05 -0.07 -1.08 0.00 0.00 178.44 178.04 1wgk h LEU 86 N 0.78 0.00 -5.20 1.67 3.38 -1.50 -3.49 115.31 110.95 1wgk h LEU 86 Ca 0.17 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.26 1wgk h LEU 86 Cb 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.88 1wgk h LEU 86 CO 0.00 0.10 -0.12 -0.83 0.09 0.00 0.00 178.44 177.69 1wgk s GLY 87 N -2.60 -1.58 0.14 0.83 0.00 0.16 -4.75 107.32 99.51 1wgk s GLY 87 Ca -0.02 1.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.76 1wgk s GLY 87 CO 0.02 4.30 1.05 1.18 0.00 0.00 0.00 173.10 179.65 1wgk n GLU 88 N 3.60 -0.22 0.00 2.90 1.02 -0.34 -1.26 120.64 126.35 1wgk n GLU 88 Ca 0.06 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1wgk n GLU 88 Cb 0.63 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 -4.94 0.00 0.26 -4.62 4.77 -1.26 -4.51 117.00 106.70 1wgk n LEU 89 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1wgk n LEU 89 Cb 0.23 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.03 1wgk n LEU 89 CO -0.10 0.00 0.96 0.44 -1.33 0.00 0.00 177.39 177.36 1wgk h ASP 90 N 0.00 0.00 -2.90 -1.43 5.19 -1.93 -3.37 116.42 111.98 1wgk h ASP 90 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1wgk h ASP 90 Cb 0.76 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.32 1wgk h ASP 90 CO 0.00 0.13 0.89 -0.47 -3.12 0.00 0.00 179.24 176.67 1wgk s TYR 91 N -4.16 3.01 -0.43 4.55 6.14 -0.39 -4.97 117.35 121.10 1wgk s TYR 91 Ca -0.03 0.63 -0.08 0.00 0.64 0.00 0.00 57.07 58.24 1wgk s TYR 91 Cb 0.13 -3.96 0.10 0.00 0.42 0.00 0.00 41.96 38.65 1wgk s TYR 91 CO 0.59 -3.51 0.28 -0.65 0.64 0.00 0.00 175.55 172.90 1wgk s GLN 92 N 0.85 2.43 0.20 4.97 -0.21 -1.26 -2.44 119.66 124.20 1wgk s GLN 92 Ca 0.69 -1.65 -0.33 0.00 0.02 0.00 0.00 55.36 54.10 1wgk s GLN 92 Cb -0.45 -3.78 -0.14 0.00 1.00 0.00 0.00 33.01 29.64 1wgk s GLN 92 CO 0.34 -1.06 1.41 1.28 -2.12 0.00 0.00 175.29 175.13 1wgk n LEU 93 N 4.84 2.73 0.00 2.90 4.77 0.10 -4.91 117.00 127.43 1wgk n LEU 93 Ca -0.08 1.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.92 1wgk n LEU 93 Cb 0.42 -1.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1wgk n LEU 93 CO 0.39 -0.61 0.13 0.00 -1.33 0.00 0.00 177.39 175.97 1wgk n GLN 94 N 2.38 0.90 -2.35 3.23 6.02 -1.26 -4.26 117.38 122.04 1wgk n GLN 94 Ca 0.14 -1.66 -0.39 0.00 -0.01 0.00 0.00 57.00 55.08 1wgk n GLN 94 Cb 0.29 -0.01 -0.03 0.00 1.02 0.00 0.00 30.24 31.51 1wgk n GLN 94 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1wgk s ASP 95 N -2.77 6.77 -1.24 1.08 1.47 -1.26 -3.52 116.67 117.20 1wgk s ASP 95 Ca 0.26 2.33 -0.02 0.00 1.18 0.00 0.00 52.55 56.30 1wgk s ASP 95 Cb -0.02 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 1wgk s ASP 95 CO 0.16 -0.50 1.01 0.00 0.68 0.00 0.00 175.17 176.53 1wgk n GLN 96 N 0.43 -6.75 -3.15 2.11 1.13 -0.86 -4.98 117.38 105.31 1wgk n GLN 96 Ca 0.02 0.83 -0.19 0.00 -1.94 0.00 0.00 57.00 55.72 1wgk n GLN 96 Cb 0.46 -5.83 0.01 0.00 0.11 0.00 0.00 30.24 24.99 1wgk n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wgk s ASP 97 N -4.17 5.77 -0.08 1.08 1.11 -1.23 -5.00 116.67 114.14 1wgk s ASP 97 Ca 0.11 -0.17 0.01 0.00 0.18 0.00 0.00 52.55 52.67 1wgk s ASP 97 Cb -0.05 -1.05 0.02 0.00 1.07 0.00 0.00 42.92 42.91 1wgk s ASP 97 CO 0.74 -0.66 -0.07 -0.55 1.18 0.00 0.00 175.17 175.80 1wgk s SER 98 N -4.27 1.71 0.13 0.27 0.15 -1.26 -2.15 113.70 108.27 1wgk s SER 98 Ca 0.50 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 57.00 1wgk s SER 98 Cb -0.10 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 1wgk s SER 98 CO 0.34 -0.07 -0.19 -0.63 1.20 0.00 0.00 173.24 173.88 1wgk s ILE 99 N 1.28 1.68 0.01 6.45 -1.09 -0.84 0.19 121.20 128.88 1wgk s ILE 99 Ca -0.04 -1.69 -0.03 0.00 -2.23 0.00 0.00 60.65 56.66 1wgk s ILE 99 Cb -0.14 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.10 1wgk s ILE 99 CO -0.03 -0.20 0.05 -0.22 -1.23 0.00 0.00 174.94 173.31 1wgk s LEU 100 N -2.24 1.89 -0.01 2.97 2.96 0.56 -1.50 118.68 123.31 1wgk s LEU 100 Ca 0.10 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1wgk s LEU 100 Cb -0.08 0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.95 1wgk s LEU 100 CO 0.05 -0.28 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.33 1wgk s PHE 101 N -1.18 0.97 -0.07 5.38 0.40 -0.83 -0.44 117.98 122.20 1wgk s PHE 101 Ca -0.13 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1wgk s PHE 101 Cb -0.08 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.83 1wgk s PHE 101 CO 0.00 -0.03 -0.17 0.42 0.70 0.00 0.00 175.22 176.14 1wgk s ILE 102 N -0.18 1.50 -0.59 0.64 1.09 0.11 -2.45 121.20 121.33 1wgk s ILE 102 Ca 0.03 -0.70 -0.18 0.00 -1.10 0.00 0.00 60.65 58.70 1wgk s ILE 102 Cb -0.05 -1.33 0.12 0.00 -1.06 0.00 0.00 42.46 40.15 1wgk s ILE 102 CO -0.00 0.44 0.64 -0.55 -0.10 0.00 0.00 174.94 175.36 1wgk s SER 103 N 0.47 6.23 -0.42 3.58 0.15 -1.24 -0.54 113.70 121.92 1wgk s SER 103 Ca -0.15 -1.66 0.05 0.00 0.70 0.00 0.00 55.95 54.90 1wgk s SER 103 Cb -0.16 -2.26 0.43 0.00 -1.71 0.00 0.00 66.02 62.31 1wgk s SER 103 CO 0.05 -0.99 1.12 0.35 1.20 0.00 0.00 173.24 174.98 1wgk n THR 104 N 5.34 2.39 -3.78 6.45 -2.24 -1.24 -4.94 114.28 116.27 1wgk n THR 104 Ca -0.09 -4.85 -0.13 0.00 -2.27 0.00 0.00 64.05 56.72 1wgk n THR 104 Cb 0.42 -1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.55 0.94 -0.21 3.22 0.05 -1.26 -4.86 118.68 113.01 1wgk s LEU 105 Ca 0.48 0.53 -0.17 0.00 0.05 0.00 0.00 54.13 55.02 1wgk s LEU 105 Cb 0.40 0.89 -0.19 0.00 -2.05 0.00 0.00 46.19 45.25 1wgk s LEU 105 CO -0.16 -0.10 0.10 1.41 -0.55 0.00 0.00 176.35 177.06 1wgk n HIS 106 N 3.05 0.81 -0.92 3.48 8.25 -1.26 -5.08 115.22 123.55 1wgk n HIS 106 Ca -0.14 0.31 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 1wgk n HIS 106 Cb 0.58 -1.09 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 1wgk n HIS 106 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wgk n GLY 107 N 1.51 -1.25 0.00 -1.41 0.00 -1.26 -5.05 105.19 97.72 1wgk n GLY 107 Ca -0.37 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.92 1.74 3.56 -0.02 0.00 -1.26 -5.01 105.19 101.28 1wgk n GLY 108 Ca -0.01 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 5.13 0.00 1.61 0.01 -1.26 -4.84 113.70 114.35 1wgk s SER 109 Ca 0.00 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1wgk s SER 109 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wgk s SER 109 CO 0.00 -2.81 0.00 0.61 0.41 0.00 0.00 173.24 171.45 1wgk n GLY 110 N 6.63 1.86 3.56 3.44 0.00 -1.26 -4.70 105.19 114.72 1wgk n GLY 110 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 0.02 2.54 -0.26 1.61 0.04 -1.26 -4.88 135.00 132.80 1wgk s PRO 111 Ca 0.00 -0.51 -0.02 0.00 0.04 0.00 0.00 61.00 60.51 1wgk s PRO 111 Cb 0.00 -5.11 0.08 0.00 0.04 0.00 0.00 34.50 29.51 1wgk s PRO 111 CO 0.00 -3.54 0.07 -1.12 0.04 0.00 0.00 177.00 172.45 1wgk s SER 112 N 7.65 3.54 -0.17 6.66 0.01 -1.26 -5.11 113.70 125.02 1wgk s SER 112 Ca 0.70 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1wgk s SER 112 Cb -0.05 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.46 1wgk s SER 112 CO 0.03 -0.36 -0.19 -0.55 0.41 0.00 0.00 173.24 172.57 1wgk s SER 113 N 1.73 3.08 0.00 2.44 0.15 -1.26 -5.21 113.70 114.63 1wgk s SER 113 Ca 0.04 -0.63 0.28 0.00 0.70 0.00 0.00 55.95 56.34 1wgk s SER 113 Cb -0.17 -1.45 1.02 0.00 -1.71 0.00 0.00 66.02 63.71 1wgk s SER 113 CO -0.18 -0.00 1.73 0.61 1.20 0.00 0.00 173.24 176.60