#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 0.32 1.61 0.01 -1.26 -5.00 113.70 115.65 1wgk s SER 2 Ca 0.00 0.65 0.03 0.00 1.31 0.00 0.00 55.95 57.94 1wgk s SER 2 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1wgk s SER 2 CO 0.00 -1.52 0.48 -0.44 0.41 0.00 0.00 173.24 172.18 1wgk s SER 3 N 4.07 6.18 0.00 2.44 0.01 -1.26 -5.10 113.70 120.04 1wgk s SER 3 Ca 0.58 0.17 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wgk s SER 3 Cb -0.12 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1wgk s SER 3 CO 0.30 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wgk n GLY 4 N -1.67 1.66 3.15 3.44 0.00 -1.26 -5.12 105.19 105.40 1wgk n GLY 4 Ca -0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1wgk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgk s SER 5 N 0.00 0.77 -0.06 1.61 1.04 -1.26 -5.08 113.70 110.73 1wgk s SER 5 Ca 0.00 -1.08 -0.24 0.00 0.48 0.00 0.00 55.95 55.10 1wgk s SER 5 Cb 0.00 0.18 -0.19 0.00 0.10 0.00 0.00 66.02 66.10 1wgk s SER 5 CO 0.00 -0.58 1.00 -1.28 0.98 0.00 0.00 173.24 173.36 1wgk h SER 6 N 2.95 -0.07 -3.81 7.02 0.87 -1.97 -3.39 113.55 115.14 1wgk h SER 6 Ca -0.35 -0.53 -0.48 0.00 -1.23 0.00 0.00 61.79 59.20 1wgk h SER 6 Cb 1.17 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1wgk h SER 6 CO 0.63 0.54 0.16 -0.83 -0.53 0.00 0.00 176.83 176.81 1wgk s GLY 7 N -3.42 2.30 -1.34 5.77 0.00 -1.26 -3.84 107.32 105.53 1wgk s GLY 7 Ca -0.15 0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.66 1wgk s GLY 7 CO 0.59 0.32 0.07 -0.13 0.00 0.00 0.00 173.10 173.96 1wgk n MET 8 N -0.55 -2.31 -1.40 2.90 0.00 -1.26 -4.88 117.12 109.62 1wgk n MET 8 Ca 0.04 0.74 -0.38 0.00 -0.00 0.00 0.00 57.70 58.11 1wgk n MET 8 Cb 0.53 -5.39 0.03 0.00 0.00 0.00 0.00 33.22 28.40 1wgk n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgk n ALA 9 N -2.33 -1.65 -2.37 -5.12 0.00 -1.25 -4.86 120.51 102.93 1wgk n ALA 9 Ca -0.17 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 52.97 1wgk n ALA 9 Cb 0.63 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1wgk n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgk s ALA 10 N -1.80 3.54 0.12 0.00 0.00 -1.26 -3.45 121.76 118.92 1wgk s ALA 10 Ca 0.66 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 1wgk s ALA 10 Cb -0.45 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 1wgk s ALA 10 CO 0.57 -0.32 1.36 -1.25 0.00 0.00 0.00 175.76 176.12 1wgk s PRO 11 N -4.62 4.34 0.16 0.00 0.04 -1.26 -4.42 135.00 129.25 1wgk s PRO 11 Ca 0.46 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 1wgk s PRO 11 Cb -0.10 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1wgk s PRO 11 CO 0.41 -0.39 0.36 -0.48 0.04 0.00 0.00 177.00 176.94 1wgk s LEU 12 N 0.90 4.26 -0.08 -3.56 0.05 -0.61 -4.86 118.68 114.78 1wgk s LEU 12 Ca 0.63 0.45 0.05 0.00 0.05 0.00 0.00 54.13 55.30 1wgk s LEU 12 Cb -0.36 -3.19 -0.01 0.00 -2.05 0.00 0.00 46.19 40.58 1wgk s LEU 12 CO 0.31 0.02 -0.22 0.00 -0.55 0.00 0.00 176.35 175.91 1wgk s VAL 14 N -0.04 0.60 -0.38 0.00 -7.23 0.20 -2.29 120.40 111.25 1wgk s VAL 14 Ca -0.06 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.35 1wgk s VAL 14 Cb -0.15 -0.55 0.01 0.00 0.56 0.00 0.00 36.38 36.25 1wgk s VAL 14 CO 0.05 -0.01 0.48 -0.54 -0.31 0.00 0.00 175.10 174.76 1wgk s LYS 15 N -0.65 3.41 -0.19 4.82 1.02 -1.04 -1.17 119.74 125.94 1wgk s LYS 15 Ca -0.01 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 1wgk s LYS 15 Cb -0.05 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 1wgk s LYS 15 CO 0.00 -0.73 0.13 0.08 -0.92 0.00 0.00 175.35 173.91 1wgk s VAL 16 N 2.30 5.37 -0.07 3.17 1.01 -0.32 -1.07 120.40 130.79 1wgk s VAL 16 Ca 0.16 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1wgk s VAL 16 Cb -0.16 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1wgk s VAL 16 CO 0.14 0.47 -0.12 -0.70 0.00 0.00 0.00 175.10 174.89 1wgk s GLU 17 N 0.13 1.72 -0.07 2.72 2.12 -0.47 -0.14 118.70 124.72 1wgk s GLU 17 Ca 0.09 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 1wgk s GLU 17 Cb -0.11 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 1wgk s GLU 17 CO -0.01 -0.01 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.63 1wgk s PHE 18 N 0.80 3.11 0.00 5.30 0.40 -1.14 -0.67 117.98 125.79 1wgk s PHE 18 Ca -0.12 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1wgk s PHE 18 Cb -0.15 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1wgk s PHE 18 CO 0.02 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.80 1wgk n GLY 19 N 2.06 -2.97 3.63 4.36 0.00 -0.57 -4.59 105.19 107.10 1wgk n GLY 19 Ca -0.18 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 1.89 0.00 -0.02 0.00 -1.26 -4.38 107.32 103.55 1wgk s GLY 20 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1wgk s GLY 20 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.71 1wgk n GLY 21 N 3.42 2.98 0.08 0.20 0.00 -1.26 -4.65 105.19 105.95 1wgk n GLY 21 Ca -0.17 -0.80 -0.13 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 -0.09 -0.84 4.61 0.00 -1.91 -2.91 119.26 118.13 1wgk h ALA 22 Ca 0.00 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.12 1wgk h ALA 22 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 1wgk h ALA 22 CO 0.00 -0.50 0.18 -0.85 0.00 0.00 0.00 179.25 178.08 1wgk n GLU 23 N -5.08 -0.06 -0.22 0.00 0.28 -1.26 0.18 120.64 114.47 1wgk n GLU 23 Ca -0.08 1.22 0.02 0.00 -0.16 0.00 0.00 57.16 58.15 1wgk n GLU 23 Cb 0.10 -2.02 0.13 0.00 1.43 0.00 0.00 31.44 31.08 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 0.17 0.00 -1.84 3.38 -1.82 0.60 115.31 115.80 1wgk h LEU 24 Ca 0.58 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.65 1wgk h LEU 24 Cb 1.36 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1wgk h LEU 24 CO -0.73 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.06 1wgk n LEU 25 N -5.04 0.00 -3.58 1.67 4.77 0.46 -3.14 117.00 112.15 1wgk n LEU 25 Ca 0.10 0.39 -0.29 0.00 -0.03 0.00 0.00 56.01 56.19 1wgk n LEU 25 Cb 0.33 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 1wgk n LEU 25 CO 0.19 -0.35 -0.28 -0.36 -1.33 0.00 0.00 177.39 175.26 1wgk s PHE 26 N -2.79 1.35 0.00 -1.77 0.40 0.18 -3.81 117.98 111.55 1wgk s PHE 26 Ca 0.02 -2.05 0.00 0.00 -0.60 0.00 0.00 56.93 54.31 1wgk s PHE 26 Cb 0.02 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.18 1wgk s PHE 26 CO 0.06 -0.80 0.00 -3.47 0.70 0.00 0.00 175.22 171.70 1wgk n ASP 27 N 3.72 -0.75 -3.46 1.36 2.03 -1.25 -2.22 116.55 115.99 1wgk n ASP 27 Ca 0.12 0.37 -0.24 0.00 0.52 0.00 0.00 54.79 55.56 1wgk n ASP 27 Cb 0.36 -0.85 0.01 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 -0.74 3.00 0.27 0.00 0.20 -4.95 105.19 102.60 1wgk n GLY 28 Ca 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.37 0.10 -0.05 1.61 1.01 -0.94 -4.85 120.40 114.92 1wgk s VAL 29 Ca 0.09 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1wgk s VAL 29 Cb -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 36.38 35.96 1wgk s VAL 29 CO 0.75 -0.47 0.79 0.07 0.00 0.00 0.00 175.10 176.23 1wgk h LYS 30 N 4.61 -0.30 -6.19 2.72 2.10 -1.91 -3.41 116.57 114.19 1wgk h LYS 30 Ca -0.32 0.02 -0.69 0.00 -2.00 0.00 0.00 60.65 57.67 1wgk h LYS 30 Cb 1.21 0.07 -0.25 0.00 -0.90 0.00 0.00 32.23 32.35 1wgk h LYS 30 CO 0.41 0.03 -0.79 0.15 -2.00 0.00 0.00 179.45 177.25 1wgk s LYS 31 N -3.38 2.59 -0.11 0.07 1.02 -1.26 -2.87 119.74 115.80 1wgk s LYS 31 Ca -0.11 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.15 1wgk s LYS 31 Cb 0.01 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1wgk s LYS 31 CO 0.39 0.54 -0.13 -1.01 -0.92 0.00 0.00 175.35 174.23 1wgk s HIS 32 N -0.52 1.82 -0.50 3.18 3.76 0.81 -4.99 115.29 118.85 1wgk s HIS 32 Ca 0.07 -0.89 -0.25 0.00 -0.15 0.00 0.00 55.06 53.84 1wgk s HIS 32 Cb -0.12 -1.36 0.03 0.00 1.11 0.00 0.00 32.58 32.24 1wgk s HIS 32 CO 0.01 -0.50 0.91 -0.65 -0.85 0.00 0.00 174.74 173.67 1wgk s GLN 33 N 1.23 3.43 -0.03 1.40 -0.21 -1.26 -1.17 119.66 123.05 1wgk s GLN 33 Ca -0.02 -0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.27 1wgk s GLN 33 Cb -0.14 -3.98 -0.04 0.00 1.00 0.00 0.00 33.01 29.85 1wgk s GLN 33 CO -0.04 -1.32 0.15 0.08 -2.12 0.00 0.00 175.29 172.03 1wgk s VAL 34 N 3.78 5.26 -0.42 1.09 1.01 -0.32 -4.98 120.40 125.82 1wgk s VAL 34 Ca 0.33 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1wgk s VAL 34 Cb -0.11 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 33.00 1wgk s VAL 34 CO 0.23 0.39 0.26 0.00 0.00 0.00 0.00 175.10 175.98 1wgk s ALA 35 N -1.23 1.73 0.57 5.51 0.00 -1.26 -0.63 121.76 126.46 1wgk s ALA 35 Ca 0.24 -2.40 -0.20 0.00 0.00 0.00 0.00 51.96 49.60 1wgk s ALA 35 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1wgk s ALA 35 CO 0.15 -2.07 1.26 -0.51 0.00 0.00 0.00 175.76 174.59 1wgk s LEU 36 N 0.46 3.74 0.00 0.00 1.43 0.18 -4.84 118.68 119.66 1wgk s LEU 36 Ca 0.20 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.72 1wgk s LEU 36 Cb -0.19 -4.47 0.17 0.00 0.03 0.00 0.00 46.19 41.73 1wgk s LEU 36 CO -0.03 -1.58 0.60 -0.81 0.23 0.00 0.00 176.35 174.76 1wgk n PRO 37 N -1.35 -2.19 -4.98 1.29 -0.04 -1.26 -1.58 135.00 124.89 1wgk n PRO 37 Ca 0.12 -0.96 -0.32 0.00 -0.04 0.00 0.00 63.50 62.30 1wgk n PRO 37 Cb 0.48 -0.90 -0.15 0.00 -0.04 0.00 0.00 33.50 32.90 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 -3.57 1.46 0.32 0.55 0.00 -1.26 -4.03 107.32 100.78 1wgk s GLY 38 Ca 0.39 -0.97 -0.15 0.00 0.00 0.00 0.00 44.72 43.99 1wgk s GLY 38 CO 0.30 -0.51 0.66 -0.86 0.00 0.00 0.00 173.10 172.69 1wgk s GLN 39 N -0.14 1.91 0.29 2.90 -2.07 -1.22 -4.80 119.66 116.52 1wgk s GLN 39 Ca -0.02 -1.30 -0.02 0.00 -1.82 0.00 0.00 55.36 52.19 1wgk s GLN 39 Cb -0.14 0.56 0.41 0.00 -1.09 0.00 0.00 33.01 32.76 1wgk s GLN 39 CO 0.04 -0.86 1.89 0.93 -1.32 0.00 0.00 175.29 175.96 1wgk h GLU 40 N 2.07 0.96 -5.51 9.60 3.07 -1.91 -3.34 114.58 119.51 1wgk h GLU 40 Ca -0.26 -0.13 -0.59 0.00 -0.50 0.00 0.00 59.36 57.88 1wgk h GLU 40 Cb 1.25 -0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.88 1wgk h GLU 40 CO 0.34 0.74 -0.24 -1.21 -1.40 0.00 0.00 179.01 177.24 1wgk s GLU 41 N -5.54 4.24 0.43 2.33 2.02 -1.26 -4.86 118.70 116.06 1wgk s GLU 41 Ca -0.11 0.21 -0.24 0.00 0.02 0.00 0.00 54.97 54.85 1wgk s GLU 41 Cb 0.16 -3.47 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 1wgk s GLU 41 CO 0.80 0.12 1.18 -1.25 0.02 0.00 0.00 175.26 176.13 1wgk s PRO 42 N 0.82 3.92 0.18 0.39 0.04 -1.26 -4.97 135.00 134.11 1wgk s PRO 42 Ca 0.19 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1wgk s PRO 42 Cb -0.14 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 1wgk s PRO 42 CO 0.07 -0.43 1.45 -1.58 0.04 0.00 0.00 177.00 176.54 1wgk s TRP 43 N -1.45 3.13 0.18 0.56 0.52 -1.26 -4.95 118.94 115.67 1wgk s TRP 43 Ca 0.60 0.91 0.09 0.00 0.02 0.00 0.00 56.10 57.72 1wgk s TRP 43 Cb -0.30 -3.78 -0.04 0.00 -1.15 0.00 0.00 33.47 28.19 1wgk s TRP 43 CO 0.38 -2.70 -0.19 -0.51 0.02 0.00 0.00 176.95 173.95 1wgk s ASP 44 N 0.81 2.83 0.06 2.95 1.01 -1.26 -1.77 116.67 121.29 1wgk s ASP 44 Ca 0.64 -0.90 -0.11 0.00 0.71 0.00 0.00 52.55 52.89 1wgk s ASP 44 Cb -0.40 -0.18 -0.02 0.00 1.01 0.00 0.00 42.92 43.33 1wgk s ASP 44 CO 0.35 -0.03 0.92 -0.38 0.21 0.00 0.00 175.17 176.24 1wgk n ILE 45 N 0.13 -0.24 -0.34 0.77 2.08 -0.39 0.12 119.36 121.49 1wgk n ILE 45 Ca -0.12 1.42 0.18 0.00 0.56 0.00 0.00 62.75 64.80 1wgk n ILE 45 Cb 0.58 -1.81 0.35 0.00 -0.75 0.00 0.00 39.64 38.00 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 -3.77 -0.07 0.11 0.38 1.85 -1.26 -0.70 116.66 113.20 1wgk n ARG 46 Ca 0.01 1.46 -0.11 0.00 -1.00 0.00 0.00 57.85 58.21 1wgk n ARG 46 Cb 0.09 -2.38 -0.07 0.00 -1.05 0.00 0.00 32.46 29.05 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 -0.28 -0.97 2.89 4.21 0.63 -3.24 115.58 118.82 1wgk h ASN 47 Ca 0.65 -0.24 0.34 0.00 1.21 0.00 0.00 56.30 58.26 1wgk h ASN 47 Cb 1.44 0.07 -0.18 0.00 -1.12 0.00 0.00 38.32 38.54 1wgk h ASN 47 CO -0.90 0.20 0.29 -0.11 -1.29 0.00 0.00 177.43 175.63 1wgk n LEU 48 N -5.02 0.13 -0.00 1.61 7.94 0.91 0.12 117.00 122.69 1wgk n LEU 48 Ca -0.08 1.62 -0.11 0.00 -1.11 0.00 0.00 56.01 56.33 1wgk n LEU 48 Cb 0.26 -0.70 -0.05 0.00 0.53 0.00 0.00 43.42 43.46 1wgk n LEU 48 CO 0.25 -1.74 0.62 -0.07 -1.11 0.00 0.00 177.39 175.34 1wgk h LEU 49 N 0.00 -1.15 -0.28 -1.96 -0.00 -1.27 -1.36 115.31 109.30 1wgk h LEU 49 Ca 0.71 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 58.78 1wgk h LEU 49 Cb 1.73 0.48 -0.04 0.00 -0.00 0.00 0.00 40.66 42.83 1wgk h LEU 49 CO -0.82 -0.39 -0.25 0.58 -0.00 0.00 0.00 178.44 177.56 1wgk h VAL 50 N -0.44 0.00 -0.44 1.22 2.07 -0.43 0.46 116.25 118.70 1wgk h VAL 50 Ca 0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1wgk h VAL 50 Cb 0.59 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.26 1wgk h VAL 50 CO -0.38 0.00 -0.40 -0.25 0.02 0.00 0.00 177.57 176.56 1wgk h TRP 51 N -0.11 -1.15 -0.91 1.57 7.01 -1.48 2.05 115.95 122.94 1wgk h TRP 51 Ca 0.05 0.07 0.16 0.00 2.11 0.00 0.00 58.89 61.27 1wgk h TRP 51 Cb 0.23 0.57 -0.07 0.00 -2.10 0.00 0.00 29.16 27.78 1wgk h TRP 51 CO -0.78 -0.42 0.58 0.82 -2.79 0.00 0.00 178.44 175.85 1wgk h ILE 52 N -0.29 0.80 0.00 2.65 2.04 -0.39 0.35 117.51 122.68 1wgk h ILE 52 Ca 0.16 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wgk h ILE 52 Cb 0.57 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1wgk h ILE 52 CO -0.59 0.12 -0.51 0.29 0.00 0.00 0.00 178.15 177.46 1wgk n LYS 53 N -4.58 0.16 -0.03 2.37 5.02 0.15 0.55 118.16 121.81 1wgk n LYS 53 Ca 0.18 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 1wgk n LYS 53 Cb 0.51 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.79 0.68 -3.40 116.57 117.62 1wgk h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wgk h LYS 54 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1wgk h LYS 54 CO 0.00 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.46 1wgk n ASN 55 N -3.38 0.00 -0.36 0.86 3.02 0.54 -4.40 115.26 111.54 1wgk n ASN 55 Ca -0.02 0.15 0.32 0.00 -0.03 0.00 0.00 54.58 54.99 1wgk n ASN 55 Cb 0.08 -0.45 0.55 0.00 -0.61 0.00 0.00 39.78 39.35 1wgk n ASN 55 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wgk n LEU 56 N -2.22 0.22 -4.82 3.41 7.94 -1.22 -4.06 117.00 116.24 1wgk n LEU 56 Ca 0.00 1.25 -0.37 0.00 -1.11 0.00 0.00 56.01 55.78 1wgk n LEU 56 Cb 0.00 -0.61 -0.07 0.00 0.53 0.00 0.00 43.42 43.27 1wgk n LEU 56 CO 0.00 -1.37 -0.13 -0.22 -1.11 0.00 0.00 177.39 174.56 1wgk s LEU 57 N -9.12 4.34 0.00 -1.96 2.96 0.19 -4.41 118.68 110.68 1wgk s LEU 57 Ca -0.07 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1wgk s LEU 57 Cb 0.27 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1wgk s LEU 57 CO 0.68 0.31 0.00 0.29 -1.32 0.00 0.00 176.35 176.31 1wgk n LYS 58 N 2.52 1.25 -1.42 1.98 4.76 -1.25 -4.46 118.16 121.53 1wgk n LYS 58 Ca -0.18 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.15 1wgk n LYS 58 Cb 0.54 -0.90 0.07 0.00 -1.84 0.00 0.00 35.03 32.90 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 -1.19 0.08 -2.03 1.97 -0.58 -1.26 -5.00 120.64 112.63 1wgk n GLU 59 Ca 0.00 -1.24 -0.43 0.00 -0.42 0.00 0.00 57.16 55.08 1wgk n GLU 59 Cb 0.00 -0.39 -0.03 0.00 -0.57 0.00 0.00 31.44 30.46 1wgk n GLU 59 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wgk s ARG 60 N -3.83 3.94 0.05 3.49 1.81 -1.26 -4.90 118.95 118.24 1wgk s ARG 60 Ca 0.33 1.94 -0.19 0.00 -1.72 0.00 0.00 55.73 56.08 1wgk s ARG 60 Cb -0.02 -4.03 -0.13 0.00 -0.45 0.00 0.00 34.95 30.32 1wgk s ARG 60 CO 0.22 -1.13 1.36 -1.00 -0.68 0.00 0.00 175.30 174.07 1wgk h PRO 61 N 10.42 0.43 -1.39 3.54 0.13 -1.93 -3.17 132.00 140.03 1wgk h PRO 61 Ca -0.37 -0.22 0.42 0.00 -0.87 0.00 0.00 66.00 64.96 1wgk h PRO 61 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1wgk h PRO 61 CO 0.98 0.79 0.97 0.39 -0.23 0.00 0.00 178.00 180.90 1wgk n GLU 62 N -4.50 -0.01 -0.04 0.86 1.02 -1.10 0.14 120.64 117.00 1wgk n GLU 62 Ca -0.06 0.87 -0.10 0.00 -0.02 0.00 0.00 57.16 57.85 1wgk n GLU 62 Cb 0.38 -1.92 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 1wgk n GLU 62 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wgk h LEU 63 N 0.00 -0.03 0.28 -4.62 4.07 -1.96 -3.40 115.31 109.65 1wgk h LEU 63 Ca 0.71 -0.66 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1wgk h LEU 63 Cb 2.70 0.01 0.00 0.00 1.08 0.00 0.00 40.66 44.45 1wgk h LEU 63 CO -0.11 0.77 -0.13 0.15 -1.08 0.00 0.00 178.44 178.03 1wgk h PHE 64 N -0.95 -0.35 -3.98 1.13 3.57 0.10 -3.47 116.94 112.99 1wgk h PHE 64 Ca -0.00 -0.01 -0.37 0.00 3.53 0.00 0.00 57.97 61.12 1wgk h PHE 64 Cb 0.68 0.12 -0.23 0.00 2.79 0.00 0.00 35.95 39.31 1wgk h PHE 64 CO 0.18 -0.22 -0.77 0.42 -2.23 0.00 0.00 178.31 175.70 1wgk s ILE 65 N -2.78 0.87 -0.23 1.41 1.01 0.21 -3.85 121.20 117.84 1wgk s ILE 65 Ca -0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 1wgk s ILE 65 Cb 0.01 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.70 1wgk s ILE 65 CO 0.16 -0.17 -0.02 -1.58 0.00 0.00 0.00 174.94 173.34 1wgk s GLN 66 N -1.35 1.30 0.00 2.79 2.00 -1.23 -2.71 119.66 120.45 1wgk s GLN 66 Ca -0.03 -0.85 0.00 0.00 -2.00 0.00 0.00 55.36 52.48 1wgk s GLN 66 Cb -0.09 -2.44 0.00 0.00 0.80 0.00 0.00 33.01 31.29 1wgk s GLN 66 CO 0.01 -0.63 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 1wgk n GLY 67 N 4.78 -0.71 0.30 2.59 0.00 -1.26 -4.21 105.19 106.68 1wgk n GLY 67 Ca -0.10 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.81 1.61 3.04 -1.98 -3.40 116.42 112.88 1wgk h ASP 68 Ca 0.00 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.20 1wgk h ASP 68 Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.22 1wgk h ASP 68 CO 0.00 0.00 -0.56 -0.55 -2.04 0.00 0.00 179.24 176.09 1wgk s SER 69 N -3.97 5.69 0.33 4.15 0.15 -1.26 -4.46 113.70 114.33 1wgk s SER 69 Ca -0.02 -0.03 -0.27 0.00 0.70 0.00 0.00 55.95 56.32 1wgk s SER 69 Cb 0.06 -1.55 -0.09 0.00 -1.71 0.00 0.00 66.02 62.73 1wgk s SER 69 CO 0.20 0.10 1.10 0.68 1.20 0.00 0.00 173.24 176.51 1wgk s VAL 70 N -1.65 3.49 1.00 4.45 -7.23 -1.26 -3.53 120.40 115.67 1wgk s VAL 70 Ca 0.31 1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 61.67 1wgk s VAL 70 Cb -0.11 -3.81 -0.13 0.00 0.56 0.00 0.00 36.38 32.89 1wgk s VAL 70 CO 0.24 0.22 -0.71 0.54 -0.31 0.00 0.00 175.10 175.08 1wgk n ARG 71 N 0.67 -0.07 0.00 4.82 5.12 -1.25 -4.73 116.66 121.22 1wgk n ARG 71 Ca 0.01 -0.01 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1wgk n ARG 71 Cb 0.46 -1.13 0.18 0.00 -1.16 0.00 0.00 32.46 30.82 1wgk n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1wgk n PRO 72 N 1.86 0.49 -0.02 5.56 -0.04 -1.26 -3.07 135.00 138.51 1wgk n PRO 72 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1wgk n PRO 72 Cb 0.58 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.06 3.67 0.55 0.00 -1.26 -5.00 105.19 103.06 1wgk n GLY 73 Ca 0.05 -0.03 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 1wgk n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wgk n ILE 74 N -2.76 0.58 -3.50 -0.61 2.08 -1.17 -4.14 119.36 109.84 1wgk n ILE 74 Ca -0.08 -0.13 -0.42 0.00 0.56 0.00 0.00 62.75 62.68 1wgk n ILE 74 Cb 0.58 -1.96 -0.09 0.00 -0.75 0.00 0.00 39.64 37.42 1wgk n ILE 74 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wgk s LEU 75 N 4.48 5.28 0.34 1.39 1.43 0.92 -4.79 118.68 127.74 1wgk s LEU 75 Ca 0.93 -1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1wgk s LEU 75 Cb -0.65 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 1wgk s LEU 75 CO 0.50 -0.55 0.61 0.68 0.23 0.00 0.00 176.35 177.81 1wgk s VAL 76 N 1.56 5.00 -0.14 -1.59 -7.23 -1.26 -0.15 120.40 116.58 1wgk s VAL 76 Ca 0.03 0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 1wgk s VAL 76 Cb -0.23 -3.78 0.07 0.00 0.56 0.00 0.00 36.38 33.00 1wgk s VAL 76 CO 0.05 -0.47 0.30 -0.76 -0.31 0.00 0.00 175.10 173.91 1wgk s LEU 77 N -3.92 -0.29 -0.24 1.32 1.43 -0.09 -4.00 118.68 112.88 1wgk s LEU 77 Ca 0.44 0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 54.02 1wgk s LEU 77 Cb -0.10 0.86 -0.02 0.00 0.03 0.00 0.00 46.19 46.95 1wgk s LEU 77 CO 0.34 -0.23 0.61 -0.63 0.23 0.00 0.00 176.35 176.67 1wgk s ILE 78 N 2.31 5.01 -1.64 -0.59 1.01 -0.78 -1.06 121.20 125.44 1wgk s ILE 78 Ca -0.01 1.10 -0.20 0.00 0.00 0.00 0.00 60.65 61.55 1wgk s ILE 78 Cb -0.12 -3.92 0.20 0.00 0.01 0.00 0.00 42.46 38.63 1wgk s ILE 78 CO -0.10 0.06 0.49 0.59 0.00 0.00 0.00 174.94 175.98 1wgk n ASN 79 N 5.52 -1.44 -2.04 3.58 3.02 -0.98 0.55 115.26 123.47 1wgk n ASN 79 Ca -0.01 -1.10 -0.07 0.00 -0.03 0.00 0.00 54.58 53.37 1wgk n ASN 79 Cb 0.49 -1.41 0.04 0.00 -0.61 0.00 0.00 39.78 38.29 1wgk n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wgk n ASP 80 N -2.10 -2.39 -3.15 6.41 2.03 -1.26 -5.05 116.55 111.04 1wgk n ASP 80 Ca 0.08 -0.26 0.04 0.00 0.52 0.00 0.00 54.79 55.16 1wgk n ASP 80 Cb 0.41 -2.40 -0.01 0.00 -0.72 0.00 0.00 41.12 38.40 1wgk n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgk s ALA 81 N -3.15 -2.26 -0.42 -1.67 0.00 0.19 -5.12 121.76 109.34 1wgk s ALA 81 Ca 0.04 1.72 -0.39 0.00 0.00 0.00 0.00 51.96 53.33 1wgk s ALA 81 Cb -0.00 -2.21 -0.17 0.00 0.00 0.00 0.00 23.12 20.74 1wgk s ALA 81 CO 0.30 -1.40 1.40 -0.25 0.00 0.00 0.00 175.76 175.81 1wgk n ASP 82 N 5.43 0.96 0.24 0.00 8.00 -1.26 -1.87 116.55 128.05 1wgk n ASP 82 Ca -0.00 0.94 0.15 0.00 0.71 0.00 0.00 54.79 56.59 1wgk n ASP 82 Cb 0.51 -0.74 0.81 0.00 -0.02 0.00 0.00 41.12 41.69 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 4.62 0.00 -0.44 1.24 5.08 -1.92 -1.63 115.95 122.89 1wgk h TRP 83 Ca -0.33 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.58 1wgk h TRP 83 Cb 1.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.29 1wgk h TRP 83 CO 0.58 0.00 0.05 0.93 -1.28 0.00 0.00 178.44 178.72 1wgk h GLU 84 N 0.00 0.75 -0.08 0.12 5.08 -1.89 0.70 114.58 119.25 1wgk h GLU 84 Ca 0.00 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 1wgk h GLU 84 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wgk h GLU 84 CO 0.00 0.78 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.10 1wgk h LEU 85 N 0.60 0.33 0.00 1.33 -0.00 -1.64 -3.37 115.31 112.56 1wgk h LEU 85 Ca 0.13 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1wgk h LEU 85 Cb 0.41 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1wgk h LEU 85 CO 0.01 0.87 -0.01 -0.07 -0.00 0.00 0.00 178.44 179.24 1wgk h LEU 86 N 0.21 0.00 0.00 1.67 3.38 -1.44 -3.49 115.31 115.65 1wgk h LEU 86 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wgk h LEU 86 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wgk h LEU 86 CO 0.10 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1wgk n GLY 87 N 1.94 -1.78 0.00 0.83 0.00 0.22 -4.78 105.19 101.62 1wgk n GLY 87 Ca -0.00 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -0.87 1.61 4.71 0.09 -0.97 120.64 125.21 1wgk n GLU 88 Ca 0.00 0.49 -0.07 0.00 -0.01 0.00 0.00 57.16 57.57 1wgk n GLU 88 Cb 0.00 -0.83 0.20 0.00 -1.01 0.00 0.00 31.44 29.79 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 -1.57 4.48 0.00 -4.62 4.77 -1.26 -4.46 117.00 114.33 1wgk n LEU 89 Ca 0.00 -3.76 0.00 0.00 -0.03 0.00 0.00 56.01 52.22 1wgk n LEU 89 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1wgk n LEU 89 CO 0.00 1.24 -0.46 -0.67 -1.33 0.00 0.00 177.39 176.16 1wgk n ASP 90 N -1.12 4.64 -4.66 -1.43 2.03 -0.90 -4.47 116.55 110.64 1wgk n ASP 90 Ca 0.37 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 55.20 1wgk n ASP 90 Cb 1.12 0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 41.96 1wgk n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgk n TYR 91 N -1.87 2.27 -3.39 -0.67 4.19 -0.14 -4.82 117.16 112.72 1wgk n TYR 91 Ca 0.00 -0.02 -0.45 0.00 3.31 0.00 0.00 57.90 60.75 1wgk n TYR 91 Cb 0.44 -2.67 -0.05 0.00 0.49 0.00 0.00 39.34 37.55 1wgk n TYR 91 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1wgk s GLN 92 N 4.40 3.00 0.56 2.98 -0.21 -1.26 -1.26 119.66 127.87 1wgk s GLN 92 Ca 0.94 -1.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.16 1wgk s GLN 92 Cb -0.67 -4.21 -0.06 0.00 1.00 0.00 0.00 33.01 29.06 1wgk s GLN 92 CO 0.50 -1.28 1.01 1.28 -2.12 0.00 0.00 175.29 174.68 1wgk n LEU 93 N 4.74 3.61 0.00 2.90 4.77 -0.73 -4.95 117.00 127.35 1wgk n LEU 93 Ca -0.04 0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 56.79 1wgk n LEU 93 Cb 0.42 -1.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.10 1wgk n LEU 93 CO 0.45 -1.65 -0.13 0.00 -1.33 0.00 0.00 177.39 174.72 1wgk n GLN 94 N -0.74 0.10 -3.81 3.23 1.13 -1.26 -4.37 117.38 111.66 1wgk n GLN 94 Ca 0.12 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1wgk n GLN 94 Cb 0.45 -0.53 0.00 0.00 0.11 0.00 0.00 30.24 30.27 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 -5.39 -0.04 -0.22 1.08 -4.77 -1.26 -4.68 116.67 101.39 1wgk s ASP 95 Ca -0.06 -0.33 -0.03 0.00 -3.30 0.00 0.00 52.55 48.84 1wgk s ASP 95 Cb 0.01 0.29 0.03 0.00 -1.09 0.00 0.00 42.92 42.15 1wgk s ASP 95 CO 0.08 -0.55 0.07 0.00 0.70 0.00 0.00 175.17 175.47 1wgk n GLN 96 N -0.66 -2.29 -3.81 2.11 1.13 -0.97 -4.83 117.38 108.06 1wgk n GLN 96 Ca -0.03 0.02 -0.35 0.00 -1.94 0.00 0.00 57.00 54.69 1wgk n GLN 96 Cb 0.61 -3.53 -0.09 0.00 0.11 0.00 0.00 30.24 27.33 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 -1.74 5.93 -0.26 1.08 1.01 -1.25 -4.96 116.67 116.48 1wgk s ASP 97 Ca 0.10 0.13 -0.11 0.00 0.71 0.00 0.00 52.55 53.38 1wgk s ASP 97 Cb -0.06 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 1wgk s ASP 97 CO 0.12 0.14 0.18 -0.55 0.21 0.00 0.00 175.17 175.27 1wgk s SER 98 N 0.59 6.07 -0.15 0.27 0.15 -1.26 -2.50 113.70 116.86 1wgk s SER 98 Ca 0.06 0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 1wgk s SER 98 Cb -0.12 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1wgk s SER 98 CO 0.01 0.01 -0.00 -0.63 1.20 0.00 0.00 173.24 173.82 1wgk s ILE 99 N 1.41 4.23 -0.03 6.45 -1.09 -0.23 -2.33 121.20 129.61 1wgk s ILE 99 Ca 0.07 -0.24 -0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1wgk s ILE 99 Cb -0.15 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1wgk s ILE 99 CO 0.08 0.50 0.03 -0.22 -1.23 0.00 0.00 174.94 174.10 1wgk s LEU 100 N 0.20 3.70 -0.21 2.97 2.96 -0.23 -1.37 118.68 126.71 1wgk s LEU 100 Ca 0.00 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1wgk s LEU 100 Cb -0.13 -2.05 0.07 0.00 0.50 0.00 0.00 46.19 44.57 1wgk s LEU 100 CO 0.02 0.31 0.06 -0.36 -1.32 0.00 0.00 176.35 175.06 1wgk s PHE 101 N -1.07 0.83 -0.18 5.38 0.40 0.16 -0.91 117.98 122.59 1wgk s PHE 101 Ca 0.19 -0.81 -0.09 0.00 -0.60 0.00 0.00 56.93 55.62 1wgk s PHE 101 Cb -0.12 -1.00 -0.05 0.00 0.51 0.00 0.00 43.02 42.37 1wgk s PHE 101 CO 0.09 -0.63 0.13 0.42 0.70 0.00 0.00 175.22 175.93 1wgk s ILE 102 N 1.92 5.41 -0.06 0.64 1.01 0.78 -1.51 121.20 129.39 1wgk s ILE 102 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 1wgk s ILE 102 Cb -0.17 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1wgk s ILE 102 CO -0.12 0.48 0.44 -0.44 0.00 0.00 0.00 174.94 175.30 1wgk s SER 103 N 0.03 6.75 -0.22 3.58 0.01 -1.26 -0.05 113.70 122.53 1wgk s SER 103 Ca 0.09 0.89 0.19 0.00 1.31 0.00 0.00 55.95 58.44 1wgk s SER 103 Cb -0.11 -2.27 0.48 0.00 0.21 0.00 0.00 66.02 64.33 1wgk s SER 103 CO -0.01 0.17 1.14 0.35 0.41 0.00 0.00 173.24 175.31 1wgk n THR 104 N 2.73 1.37 -3.96 1.44 -2.24 -1.26 -4.88 114.28 107.49 1wgk n THR 104 Ca -0.11 -2.89 -0.29 0.00 -2.27 0.00 0.00 64.05 58.49 1wgk n THR 104 Cb 0.52 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 69.25 1wgk n THR 104 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wgk s LEU 105 N -3.10 1.75 0.42 3.22 1.43 -1.26 -4.92 118.68 116.22 1wgk s LEU 105 Ca 0.34 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1wgk s LEU 105 Cb 0.35 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.45 1wgk s LEU 105 CO -0.05 -0.13 0.08 -1.38 0.23 0.00 0.00 176.35 175.11 1wgk s HIS 106 N 1.54 2.46 0.00 0.29 -3.43 -1.26 -5.12 115.29 109.77 1wgk s HIS 106 Ca 0.02 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 1wgk s HIS 106 Cb -0.14 -1.83 0.00 0.00 -1.43 0.00 0.00 32.58 29.18 1wgk s HIS 106 CO -0.09 0.31 0.00 0.41 -2.00 0.00 0.00 174.74 173.37 1wgk n GLY 107 N -1.11 4.69 1.81 -1.38 0.00 -1.26 -5.15 105.19 102.78 1wgk n GLY 107 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.96 -4.87 3.54 -0.02 0.00 -1.26 -4.73 105.19 95.89 1wgk n GLY 108 Ca 0.00 -0.22 -0.65 0.00 0.00 0.00 0.00 46.02 45.16 1wgk n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgk n SER 109 N 1.26 1.04 0.00 1.61 7.64 -1.26 -4.52 113.62 119.39 1wgk n SER 109 Ca 0.00 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1wgk n SER 109 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1wgk n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgk n GLY 110 N 5.46 -1.99 0.00 0.23 0.00 -1.26 -4.93 105.19 102.69 1wgk n GLY 110 Ca 0.41 0.59 0.06 0.00 0.00 0.00 0.00 46.02 47.08 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 -1.44 0.49 -0.30 1.61 -0.04 -1.26 -4.12 135.00 129.94 1wgk n PRO 111 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1wgk n PRO 111 Cb 0.00 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 1wgk n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgk n SER 112 N -0.88 -0.66 -4.21 3.54 7.64 -1.26 -4.36 113.62 113.44 1wgk n SER 112 Ca 0.09 1.29 -0.24 0.00 1.01 0.00 0.00 58.87 61.01 1wgk n SER 112 Cb 0.04 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 1wgk n SER 112 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgk s SER 113 N -5.32 2.21 0.00 6.43 0.15 -1.26 -5.25 113.70 110.65 1wgk s SER 113 Ca -0.09 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1wgk s SER 113 Cb 0.11 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wgk s SER 113 CO 0.48 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.68