#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgo s SER 2 N 0.00 4.10 0.07 1.61 0.01 -1.26 -5.13 113.70 113.10 1wgo s SER 2 Ca 0.00 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1wgo s SER 2 Cb 0.00 -0.69 0.08 0.00 0.21 0.00 0.00 66.02 65.62 1wgo s SER 2 CO 0.00 0.20 0.91 -0.44 0.41 0.00 0.00 173.24 174.32 1wgo s SER 3 N -2.00 -0.28 0.03 2.44 0.01 -1.26 -5.19 113.70 107.45 1wgo s SER 3 Ca 0.19 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wgo s SER 3 Cb -0.11 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1wgo s SER 3 CO 0.10 -0.76 0.01 0.61 0.41 0.00 0.00 173.24 173.61 1wgo n GLY 4 N -0.35 3.89 3.61 3.44 0.00 -1.26 -5.17 105.19 109.35 1wgo n GLY 4 Ca -0.08 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 1wgo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgo s SER 5 N -1.18 -0.14 0.31 1.61 1.04 -1.26 -5.19 113.70 108.88 1wgo s SER 5 Ca 0.00 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 1wgo s SER 5 Cb -0.00 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1wgo s SER 5 CO 0.00 -0.37 0.66 -0.44 0.98 0.00 0.00 173.24 174.07 1wgo s SER 6 N -2.59 -0.05 0.00 7.02 0.01 -1.26 -5.18 113.70 111.66 1wgo s SER 6 Ca 0.11 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1wgo s SER 6 Cb 0.01 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1wgo s SER 6 CO -0.04 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.83 1wgo n GLY 7 N -0.47 1.94 3.64 3.44 0.00 -1.26 -5.18 105.19 107.30 1wgo n GLY 7 Ca -0.04 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 1wgo n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgo s GLU 9 N 0.52 2.31 -0.37 0.00 0.41 -1.26 -5.10 118.70 115.22 1wgo s GLU 9 Ca 0.00 -0.89 0.07 0.00 -0.41 0.00 0.00 54.97 53.74 1wgo s GLU 9 Cb -0.04 -2.37 0.19 0.00 -1.78 0.00 0.00 34.13 30.12 1wgo s GLU 9 CO -0.11 0.55 0.63 0.20 -0.49 0.00 0.00 175.26 176.04 1wgo s GLY 10 N -1.78 -1.27 -0.08 -1.39 0.00 -1.26 -5.15 107.32 96.40 1wgo s GLY 10 Ca 0.19 0.56 -0.05 0.00 0.00 0.00 0.00 44.72 45.41 1wgo s GLY 10 CO 0.10 3.70 0.19 -0.32 0.00 0.00 0.00 173.10 176.77 1wgo s GLY 11 N 2.21 -0.11 -0.04 0.20 0.00 -1.26 -5.13 107.32 103.19 1wgo s GLY 11 Ca 0.14 0.70 -0.08 0.00 0.00 0.00 0.00 44.72 45.48 1wgo s GLY 11 CO -0.14 0.82 0.20 0.54 0.00 0.00 0.00 173.10 174.52 1wgo s VAL 12 N 0.71 0.04 0.90 1.40 0.11 -1.26 -5.15 120.40 117.14 1wgo s VAL 12 Ca -0.05 -0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 58.55 1wgo s VAL 12 Cb -0.07 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.33 1wgo s VAL 12 CO -0.04 -0.16 -0.15 -0.67 -3.33 0.00 0.00 175.10 170.75 1wgo n ASP 13 N 2.24 -3.81 -4.57 3.54 2.03 -1.26 -4.67 116.55 110.06 1wgo n ASP 13 Ca -0.17 0.33 -0.22 0.00 0.52 0.00 0.00 54.79 55.26 1wgo n ASP 13 Cb 0.57 -0.98 -0.07 0.00 -0.72 0.00 0.00 41.12 39.92 1wgo n ASP 13 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1wgo s MET 14 N -2.56 2.05 -0.20 -0.67 -1.94 -1.26 -4.63 119.30 110.09 1wgo s MET 14 Ca 0.51 -0.36 -0.09 0.00 -1.71 0.00 0.00 55.69 54.04 1wgo s MET 14 Cb -0.24 -5.03 -0.20 0.00 2.01 0.00 0.00 34.83 31.36 1wgo s MET 14 CO 0.73 -4.20 0.07 0.94 -0.01 0.00 0.00 175.02 172.55 1wgo n GLN 15 N 8.57 0.66 -3.45 2.03 -0.06 -1.26 -5.04 117.38 118.83 1wgo n GLN 15 Ca 0.43 0.30 -0.12 0.00 -2.00 0.00 0.00 57.00 55.61 1wgo n GLN 15 Cb 0.46 -1.64 -0.03 0.00 -4.06 0.00 0.00 30.24 24.98 1wgo n GLN 15 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1wgo s GLN 16 N -2.50 1.17 -0.25 3.69 1.03 -1.26 -5.18 119.66 116.35 1wgo s GLN 16 Ca -0.30 -0.32 -0.26 0.00 0.04 0.00 0.00 55.36 54.52 1wgo s GLN 16 Cb 0.08 0.54 0.12 0.00 0.03 0.00 0.00 33.01 33.79 1wgo s GLN 16 CO 0.64 -0.49 1.03 0.45 -2.54 0.00 0.00 175.29 174.39 1wgo s SER 17 N -2.44 -0.42 -1.01 12.60 0.15 -1.26 -5.07 113.70 116.25 1wgo s SER 17 Ca -0.00 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.38 1wgo s SER 17 Cb -0.01 0.73 0.32 0.00 -1.71 0.00 0.00 66.02 65.35 1wgo s SER 17 CO -0.09 -0.19 1.77 0.00 1.20 0.00 0.00 173.24 175.93 1wgo n GLN 18 N 1.85 5.31 -3.82 5.44 3.00 -1.26 -4.95 117.38 122.96 1wgo n GLN 18 Ca -0.12 -4.67 -0.13 0.00 -0.01 0.00 0.00 57.00 52.07 1wgo n GLN 18 Cb 0.56 -2.46 -0.14 0.00 0.00 0.00 0.00 30.24 28.21 1wgo n GLN 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1wgo s VAL 19 N -4.28 -0.02 -0.43 5.09 1.01 -1.26 -5.05 120.40 115.47 1wgo s VAL 19 Ca 0.39 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1wgo s VAL 19 Cb 0.19 -0.15 0.46 0.00 0.00 0.00 0.00 36.38 36.88 1wgo s VAL 19 CO -0.12 0.02 1.51 0.00 0.00 0.00 0.00 175.10 176.51 1wgo n GLN 20 N 3.38 3.27 -3.57 2.72 3.00 -1.26 -4.94 117.38 119.98 1wgo n GLN 20 Ca -0.17 -3.84 0.01 0.00 -0.01 0.00 0.00 57.00 52.99 1wgo n GLN 20 Cb 0.57 -2.28 -0.06 0.00 0.00 0.00 0.00 30.24 28.47 1wgo n GLN 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1wgo s LEU 21 N -3.69 -0.29 -0.43 1.08 1.98 -1.26 -5.13 118.68 110.94 1wgo s LEU 21 Ca 0.56 0.45 -0.19 0.00 -2.89 0.00 0.00 54.13 52.06 1wgo s LEU 21 Cb 0.45 1.40 0.02 0.00 0.66 0.00 0.00 46.19 48.72 1wgo s LEU 21 CO 0.02 -0.07 0.55 -1.10 -1.89 0.00 0.00 176.35 173.86 1wgo s GLN 22 N 1.44 3.20 -0.02 1.98 -1.52 -1.26 -5.05 119.66 118.44 1wgo s GLN 22 Ca -0.07 -0.54 0.05 0.00 -1.95 0.00 0.00 55.36 52.85 1wgo s GLN 22 Cb -0.03 -3.96 -0.01 0.00 -0.22 0.00 0.00 33.01 28.79 1wgo s GLN 22 CO -0.13 -0.94 -0.16 0.00 -0.25 0.00 0.00 175.29 173.81 1wgo s PRO 24 N -0.29 4.32 0.31 0.00 0.04 -1.26 -4.99 135.00 133.13 1wgo s PRO 24 Ca 0.04 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 1wgo s PRO 24 Cb -0.07 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1wgo s PRO 24 CO -0.00 -0.46 0.88 -0.48 0.04 0.00 0.00 177.00 176.98 1wgo s LEU 25 N 1.42 -0.00 0.03 -3.56 2.34 -1.26 -5.09 118.68 112.56 1wgo s LEU 25 Ca 0.64 -0.96 0.01 0.00 0.06 0.00 0.00 54.13 53.88 1wgo s LEU 25 Cb -0.35 2.57 -0.02 0.00 -0.56 0.00 0.00 46.19 47.83 1wgo s LEU 25 CO 0.29 -1.43 -0.05 0.42 -1.06 0.00 0.00 176.35 174.52 1wgo s THR 26 N -2.30 0.29 0.83 5.48 -4.23 -1.26 -5.06 115.64 109.39 1wgo s THR 26 Ca 0.18 -0.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1wgo s THR 26 Cb -0.04 -0.41 0.09 0.00 1.34 0.00 0.00 72.50 73.48 1wgo s THR 26 CO 0.09 -0.45 1.09 -2.16 -0.54 0.00 0.00 174.62 172.65 1wgo s PRO 27 N -1.51 1.80 0.41 3.99 0.04 -1.26 -2.72 135.00 135.75 1wgo s PRO 27 Ca -0.13 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.67 1wgo s PRO 27 Cb -0.10 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1wgo s PRO 27 CO -0.00 -1.92 1.19 -1.25 0.04 0.00 0.00 177.00 175.06 1wgo s PRO 28 N -4.92 4.02 -0.01 0.56 0.04 -1.26 -4.50 135.00 128.93 1wgo s PRO 28 Ca 0.62 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.50 1wgo s PRO 28 Cb -0.18 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1wgo s PRO 28 CO 0.56 -0.36 0.09 1.03 0.04 0.00 0.00 177.00 178.36 1wgo s ARG 29 N -2.32 0.31 -1.21 4.56 1.81 -1.26 -4.79 118.95 116.05 1wgo s ARG 29 Ca 0.57 -0.23 -0.03 0.00 -1.72 0.00 0.00 55.73 54.32 1wgo s ARG 29 Cb -0.32 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.30 1wgo s ARG 29 CO 0.40 -0.06 0.83 0.41 -0.68 0.00 0.00 175.30 176.20 1wgo n GLY 30 N 2.08 -0.55 3.52 -3.53 0.00 -1.26 -3.71 105.19 101.75 1wgo n GLY 30 Ca -0.19 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1wgo n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wgo s LEU 31 N -6.33 3.64 0.12 0.99 1.98 -1.26 -3.11 118.68 114.70 1wgo s LEU 31 Ca 0.14 -0.09 -0.24 0.00 -2.89 0.00 0.00 54.13 51.04 1wgo s LEU 31 Cb -0.03 -1.96 0.08 0.00 0.66 0.00 0.00 46.19 44.93 1wgo s LEU 31 CO 0.78 0.03 0.68 -1.58 -1.89 0.00 0.00 176.35 174.37 1wgo s GLN 32 N 1.26 1.17 0.18 1.98 0.74 -1.25 -4.63 119.66 119.10 1wgo s GLN 32 Ca 0.05 -0.43 0.07 0.00 0.05 0.00 0.00 55.36 55.10 1wgo s GLN 32 Cb -0.14 0.53 -0.04 0.00 1.10 0.00 0.00 33.01 34.46 1wgo s GLN 32 CO 0.04 -0.51 0.04 0.14 -0.55 0.00 0.00 175.29 174.45 1wgo s VAL 33 N -3.59 3.91 0.03 1.34 -7.23 -1.26 -3.76 120.40 109.84 1wgo s VAL 33 Ca 0.02 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 1wgo s VAL 33 Cb -0.01 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1wgo s VAL 33 CO -0.12 -0.13 0.12 -0.44 -0.31 0.00 0.00 175.10 174.23 1wgo s SER 34 N -3.05 0.12 -0.06 4.85 0.01 -0.01 -4.96 113.70 110.61 1wgo s SER 34 Ca 0.29 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 1wgo s SER 34 Cb -0.09 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 1wgo s SER 34 CO 0.20 -0.49 0.48 -0.63 0.41 0.00 0.00 173.24 173.21 1wgo s ILE 35 N -2.37 5.08 -0.28 1.44 1.01 -1.26 0.56 121.20 125.38 1wgo s ILE 35 Ca -0.07 0.98 -0.36 0.00 0.00 0.00 0.00 60.65 61.19 1wgo s ILE 35 Cb -0.02 -3.81 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 1wgo s ILE 35 CO -0.03 0.42 2.01 1.67 0.00 0.00 0.00 174.94 179.01 1wgo n GLN 36 N 2.92 1.29 -1.27 2.79 0.00 -1.06 -4.42 117.38 117.63 1wgo n GLN 36 Ca -0.09 0.42 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 1wgo n GLN 36 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 28.37 1wgo n GLN 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wgo n GLY 37 N 5.53 -4.32 3.59 1.69 0.00 -1.26 -4.70 105.19 105.72 1wgo n GLY 37 Ca 0.34 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1wgo n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgo s GLU 38 N -4.13 3.14 0.06 1.61 2.12 -1.26 -4.97 118.70 115.26 1wgo s GLU 38 Ca 0.00 1.46 0.04 0.00 0.36 0.00 0.00 54.97 56.83 1wgo s GLU 38 Cb 0.00 -4.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.07 1wgo s GLU 38 CO 0.00 -2.10 -0.04 0.00 -0.54 0.00 0.00 175.26 172.59 1wgo s ALA 39 N 7.76 3.15 -0.05 6.30 0.00 -1.26 -5.06 121.76 132.59 1wgo s ALA 39 Ca 0.84 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1wgo s ALA 39 Cb -0.23 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 1wgo s ALA 39 CO 0.32 0.66 -0.08 0.28 0.00 0.00 0.00 175.76 176.94 1wgo n VAL 40 N 0.97 0.46 -3.71 0.00 0.31 -1.26 -4.99 118.33 110.12 1wgo n VAL 40 Ca -0.13 0.40 -0.22 0.00 -0.01 0.00 0.00 64.34 64.38 1wgo n VAL 40 Cb 0.52 -1.78 -0.18 0.00 -0.91 0.00 0.00 33.84 31.50 1wgo n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgo s ALA 41 N -2.94 0.45 0.16 3.52 0.00 -1.26 -4.81 121.76 116.87 1wgo s ALA 41 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1wgo s ALA 41 Cb 0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1wgo s ALA 41 CO 0.10 -0.55 0.35 0.08 0.00 0.00 0.00 175.76 175.74 1wgo s VAL 42 N 2.08 5.23 0.42 0.00 1.01 -1.19 -4.80 120.40 123.15 1wgo s VAL 42 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1wgo s VAL 42 Cb -0.13 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1wgo s VAL 42 CO -0.04 -0.05 0.82 -0.13 0.00 0.00 0.00 175.10 175.70 1wgo s ARG 43 N -2.96 3.86 0.09 2.72 3.00 -1.26 -1.18 118.95 123.22 1wgo s ARG 43 Ca 0.38 0.63 -0.31 0.00 0.00 0.00 0.00 55.73 56.44 1wgo s ARG 43 Cb -0.12 -2.33 -0.07 0.00 0.00 0.00 0.00 34.95 32.43 1wgo s ARG 43 CO 0.27 -0.07 1.38 -1.25 0.00 0.00 0.00 175.30 175.64 1wgo s PRO 44 N -3.77 4.32 0.00 3.54 0.04 -1.25 -2.94 135.00 134.94 1wgo s PRO 44 Ca 0.54 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1wgo s PRO 44 Cb -0.10 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1wgo s PRO 44 CO 0.29 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1wgo n GLY 45 N 3.51 0.49 3.58 0.56 0.00 0.97 -4.94 105.19 109.36 1wgo n GLY 45 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1wgo n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgo s GLU 46 N -0.81 3.85 0.12 1.61 0.41 -1.15 -4.73 118.70 118.00 1wgo s GLU 46 Ca 0.00 -0.06 -0.31 0.00 -0.41 0.00 0.00 54.97 54.19 1wgo s GLU 46 Cb 0.00 -3.72 -0.11 0.00 -1.78 0.00 0.00 34.13 28.53 1wgo s GLU 46 CO 0.00 -0.41 1.83 -0.40 -0.49 0.00 0.00 175.26 175.79 1wgo n ASP 47 N 5.45 4.00 -4.89 -0.19 5.75 -1.26 -4.38 116.55 121.04 1wgo n ASP 47 Ca -0.07 0.99 -0.33 0.00 -0.01 0.00 0.00 54.79 55.37 1wgo n ASP 47 Cb 0.50 -1.54 -0.05 0.00 -1.03 0.00 0.00 41.12 39.00 1wgo n ASP 47 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wgo s VAL 48 N 2.66 5.32 -0.13 2.12 0.11 0.16 -4.85 120.40 125.79 1wgo s VAL 48 Ca 0.82 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.62 1wgo s VAL 48 Cb -0.49 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1wgo s VAL 48 CO 0.38 0.31 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.67 1wgo s LEU 49 N -1.96 3.33 -0.27 2.54 2.01 -1.26 -1.83 118.68 121.23 1wgo s LEU 49 Ca 0.27 -0.05 -0.03 0.00 0.01 0.00 0.00 54.13 54.33 1wgo s LEU 49 Cb -0.13 -1.78 0.03 0.00 0.01 0.00 0.00 46.19 44.32 1wgo s LEU 49 CO 0.19 0.24 -0.02 -0.36 1.01 0.00 0.00 176.35 177.41 1wgo s PHE 50 N -0.05 3.13 -0.19 0.29 0.08 -1.04 -2.56 117.98 117.63 1wgo s PHE 50 Ca 0.02 -1.52 -0.17 0.00 0.12 0.00 0.00 56.93 55.37 1wgo s PHE 50 Cb -0.13 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1wgo s PHE 50 CO 0.02 -0.72 0.47 0.08 -0.10 0.00 0.00 175.22 174.98 1wgo s VAL 51 N 1.34 5.15 -0.04 -0.44 1.01 0.19 -2.27 120.40 125.34 1wgo s VAL 51 Ca -0.01 0.86 0.05 0.00 0.00 0.00 0.00 61.98 62.88 1wgo s VAL 51 Cb -0.18 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1wgo s VAL 51 CO -0.02 0.22 -0.17 0.54 0.00 0.00 0.00 175.10 175.66 1wgo s VAL 52 N 1.44 2.82 0.19 2.92 0.11 -1.26 -0.83 120.40 125.79 1wgo s VAL 52 Ca 0.22 -0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 1wgo s VAL 52 Cb -0.15 -2.08 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1wgo s VAL 52 CO 0.09 0.59 0.46 -0.60 -3.33 0.00 0.00 175.10 172.31 1wgo s ARG 53 N -0.70 1.34 0.15 1.54 3.52 -1.25 -4.81 118.95 118.75 1wgo s ARG 53 Ca 0.11 -0.99 0.05 0.00 -0.13 0.00 0.00 55.73 54.77 1wgo s ARG 53 Cb -0.10 0.48 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 1wgo s ARG 53 CO 0.00 -0.55 -0.12 -1.14 -0.81 0.00 0.00 175.30 172.68 1wgo s GLN 54 N -3.92 1.09 -0.10 5.12 0.74 -1.26 -3.95 119.66 117.37 1wgo s GLN 54 Ca 0.13 -1.41 -0.26 0.00 0.05 0.00 0.00 55.36 53.87 1wgo s GLN 54 Cb 0.00 -0.77 -0.22 0.00 1.10 0.00 0.00 33.01 33.13 1wgo s GLN 54 CO -0.01 0.12 0.84 1.49 -0.55 0.00 0.00 175.29 177.18 1wgo h GLU 55 N 2.95 -0.02 0.00 1.67 4.22 -1.62 -3.42 114.58 118.36 1wgo h GLU 55 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.07 1wgo h GLU 55 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wgo h GLU 55 CO 0.60 0.74 -0.88 1.04 -2.18 0.00 0.00 179.01 178.33 1wgo n GLN 56 N -4.71 3.20 -3.80 1.92 1.13 -1.26 -5.01 117.38 108.85 1wgo n GLN 56 Ca -0.09 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.67 1wgo n GLN 56 Cb 0.38 -0.94 -0.06 0.00 0.11 0.00 0.00 30.24 29.72 1wgo n GLN 56 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wgo n GLY 57 N 2.64 -0.25 0.27 1.08 0.00 -1.26 -4.76 105.19 102.92 1wgo n GLY 57 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1wgo n GLY 57 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wgo h ASP 58 N -0.75 0.86 -2.80 1.61 5.19 -1.86 -3.45 116.42 115.22 1wgo h ASP 58 Ca -0.46 -0.30 -0.55 0.00 -0.62 0.00 0.00 57.03 55.10 1wgo h ASP 58 Cb 1.04 -0.24 0.21 0.00 0.18 0.00 0.00 39.33 40.52 1wgo h ASP 58 CO 0.64 1.03 -0.93 0.55 -3.12 0.00 0.00 179.24 177.41 1wgo n VAL 59 N -4.12 0.59 -1.70 -1.35 3.14 -1.10 -4.73 118.33 109.05 1wgo n VAL 59 Ca 0.01 -0.38 -0.22 0.00 -2.96 0.00 0.00 64.34 60.79 1wgo n VAL 59 Cb 0.42 -0.42 0.15 0.00 -1.06 0.00 0.00 33.84 32.94 1wgo n VAL 59 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1wgo n LEU 60 N 0.76 0.00 -4.25 6.55 7.99 -1.26 -4.84 117.00 121.95 1wgo n LEU 60 Ca 0.06 -1.10 -0.51 0.00 -0.01 0.00 0.00 56.01 54.44 1wgo n LEU 60 Cb 0.52 -0.76 -0.13 0.00 -0.11 0.00 0.00 43.42 42.94 1wgo n LEU 60 CO 0.52 -1.21 1.89 0.35 -1.51 0.00 0.00 177.39 177.43 1wgo n THR 61 N -3.37 0.00 -4.07 -5.08 -2.24 -1.26 -4.89 114.28 93.37 1wgo n THR 61 Ca 0.12 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 1wgo n THR 61 Cb 0.43 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1wgo n THR 61 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wgo s THR 62 N 7.08 4.36 0.12 4.28 2.01 -1.26 -4.85 115.64 127.37 1wgo s THR 62 Ca 1.24 -1.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1wgo s THR 62 Cb -1.37 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 1wgo s THR 62 CO 0.58 -0.33 0.36 -0.54 -0.69 0.00 0.00 174.62 174.00 1wgo s LYS 63 N -3.87 3.63 -0.04 4.92 -0.14 -1.26 -0.54 119.74 122.44 1wgo s LYS 63 Ca 0.34 -0.07 0.01 0.00 -1.36 0.00 0.00 55.97 54.90 1wgo s LYS 63 Cb -0.08 -2.90 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 1wgo s LYS 63 CO 0.25 0.50 -0.04 0.71 -0.76 0.00 0.00 175.35 176.01 1wgo s TYR 64 N -1.58 0.69 -0.29 3.18 1.51 0.12 -3.48 117.35 117.50 1wgo s TYR 64 Ca 0.38 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1wgo s TYR 64 Cb -0.12 -0.61 0.08 0.00 -0.11 0.00 0.00 41.96 41.20 1wgo s TYR 64 CO 0.23 -0.16 -0.03 -0.65 -1.11 0.00 0.00 175.55 173.83 1wgo s GLN 65 N 0.78 1.79 -0.09 -0.62 -0.21 -0.56 -0.60 119.66 120.15 1wgo s GLN 65 Ca -0.10 -1.49 -0.18 0.00 0.02 0.00 0.00 55.36 53.61 1wgo s GLN 65 Cb -0.13 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1wgo s GLN 65 CO 0.00 -0.73 0.49 0.08 -2.12 0.00 0.00 175.29 173.01 1wgo s VAL 66 N 1.09 5.14 -0.29 1.09 1.01 -1.13 -1.96 120.40 125.35 1wgo s VAL 66 Ca -0.00 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1wgo s VAL 66 Cb -0.19 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1wgo s VAL 66 CO -0.07 0.35 -0.02 -1.81 0.00 0.00 0.00 175.10 173.55 1wgo s ASP 67 N 0.40 4.82 0.19 3.32 1.11 -0.65 -3.56 116.67 122.30 1wgo s ASP 67 Ca 0.27 -1.30 0.00 0.00 0.18 0.00 0.00 52.55 51.70 1wgo s ASP 67 Cb -0.16 -1.69 0.10 0.00 1.07 0.00 0.00 42.92 42.25 1wgo s ASP 67 CO 0.12 -0.25 1.46 -0.07 1.18 0.00 0.00 175.17 177.61 1wgo h LEU 68 N 7.96 0.42 0.00 1.23 -0.00 -1.80 -2.58 115.31 120.55 1wgo h LEU 68 Ca -0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1wgo h LEU 68 Cb 1.06 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1wgo h LEU 68 CO 0.52 0.99 0.00 0.61 -0.00 0.00 0.00 178.44 180.56 1wgo n GLY 69 N 0.49 2.99 1.97 0.83 0.00 -1.26 -4.21 105.19 106.00 1wgo n GLY 69 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1wgo n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgo n ASP 70 N 0.25 6.68 0.00 1.61 2.03 -1.26 -4.80 116.55 121.06 1wgo n ASP 70 Ca 0.00 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.12 1wgo n ASP 70 Cb 0.00 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1wgo n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wgo n GLY 71 N 0.14 2.21 3.71 0.27 0.00 -1.26 -4.98 105.19 105.28 1wgo n GLY 71 Ca 0.35 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1wgo n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wgo s PHE 72 N -0.52 2.85 -0.02 1.61 2.19 -1.26 -5.00 117.98 117.83 1wgo s PHE 72 Ca 0.00 0.53 0.00 0.00 0.33 0.00 0.00 56.93 57.80 1wgo s PHE 72 Cb 0.00 -3.93 0.02 0.00 -1.31 0.00 0.00 43.02 37.80 1wgo s PHE 72 CO 0.00 -3.53 0.02 0.15 1.83 0.00 0.00 175.22 173.69 1wgo s LYS 73 N 1.66 -0.00 -0.00 10.12 1.02 -1.26 -3.10 119.74 128.17 1wgo s LYS 73 Ca 0.71 0.13 -0.06 0.00 0.02 0.00 0.00 55.97 56.78 1wgo s LYS 73 Cb -0.42 -0.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.68 1wgo s LYS 73 CO 0.31 -0.12 0.11 0.00 -0.92 0.00 0.00 175.35 174.73 1wgo s ALA 74 N 0.81 -0.26 -0.29 5.17 0.00 -1.23 -5.09 121.76 120.87 1wgo s ALA 74 Ca -0.07 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.81 1wgo s ALA 74 Cb -0.10 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.15 1wgo s ALA 74 CO -0.02 -0.18 -0.05 1.41 0.00 0.00 0.00 175.76 176.92 1wgo s MET 75 N -1.14 2.03 0.02 0.00 1.75 -1.26 -2.84 119.30 117.86 1wgo s MET 75 Ca -0.12 -1.50 -0.03 0.00 -1.25 0.00 0.00 55.69 52.78 1wgo s MET 75 Cb -0.07 -3.01 -0.04 0.00 2.84 0.00 0.00 34.83 34.55 1wgo s MET 75 CO 0.01 -0.69 0.22 0.71 -0.65 0.00 0.00 175.02 174.62 1wgo s TYR 76 N 1.05 3.54 -0.13 4.11 1.51 0.23 -4.98 117.35 122.69 1wgo s TYR 76 Ca -0.03 0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 1wgo s TYR 76 Cb -0.20 -1.85 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1wgo s TYR 76 CO -0.06 0.61 -0.19 0.54 -1.11 0.00 0.00 175.55 175.34 1wgo s VAL 77 N -1.39 1.86 -0.87 0.71 0.11 -1.26 0.13 120.40 119.68 1wgo s VAL 77 Ca 0.30 -0.85 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1wgo s VAL 77 Cb -0.13 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 1wgo s VAL 77 CO 0.21 0.51 0.35 0.59 -3.33 0.00 0.00 175.10 173.44 1wgo n ASN 78 N 4.19 -4.14 -0.22 3.54 3.02 0.30 -4.88 115.26 117.08 1wgo n ASN 78 Ca -0.20 -0.17 -0.11 0.00 -0.03 0.00 0.00 54.58 54.08 1wgo n ASN 78 Cb 0.51 -3.01 -0.08 0.00 -0.61 0.00 0.00 39.78 36.59 1wgo n ASN 78 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wgo h LEU 79 N -0.81 -1.69 -0.73 3.41 5.85 -1.83 0.80 115.31 120.30 1wgo h LEU 79 Ca -0.30 0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.82 1wgo h LEU 79 Cb 1.21 0.72 -0.12 0.00 0.37 0.00 0.00 40.66 42.83 1wgo h LEU 79 CO 0.32 -0.28 0.04 0.71 -0.34 0.00 0.00 178.44 178.90 1wgo h THR 80 N -0.19 0.39 0.27 1.05 1.35 -1.92 0.40 112.91 114.26 1wgo h THR 80 Ca 0.09 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 1wgo h THR 80 Cb 0.43 0.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.06 1wgo h THR 80 CO -0.63 0.02 -0.44 0.25 -0.25 0.00 0.00 175.52 174.47 1wgo h LEU 81 N 0.14 -1.26 -1.72 3.87 6.46 -1.28 -0.77 115.31 120.75 1wgo h LEU 81 Ca 0.40 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 58.29 1wgo h LEU 81 Cb 0.71 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1wgo h LEU 81 CO -0.62 -0.55 0.00 0.71 -0.62 0.00 0.00 178.44 177.37 1wgo h THR 82 N -0.78 0.00 -7.04 1.05 1.35 -0.21 -3.46 112.91 103.82 1wgo h THR 82 Ca -0.01 -0.23 -0.61 0.00 -0.55 0.00 0.00 66.41 65.01 1wgo h THR 82 Cb 0.74 1.10 -0.21 0.00 -1.73 0.00 0.00 68.15 68.05 1wgo h THR 82 CO -0.17 0.00 -0.96 0.61 -0.25 0.00 0.00 175.52 174.76 1wgo n GLY 83 N -0.48 -0.16 3.48 5.82 0.00 0.13 -4.93 105.19 109.05 1wgo n GLY 83 Ca -0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1wgo n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgo s GLU 84 N -7.29 2.85 0.52 1.61 0.41 -1.26 -5.04 118.70 110.51 1wgo s GLU 84 Ca 0.08 -0.64 -0.20 0.00 -0.41 0.00 0.00 54.97 53.79 1wgo s GLU 84 Cb -0.05 -2.53 -0.06 0.00 -1.78 0.00 0.00 34.13 29.71 1wgo s GLU 84 CO 0.99 0.51 1.14 -1.25 -0.49 0.00 0.00 175.26 176.16 1wgo s PRO 85 N -0.42 3.45 -0.47 0.39 0.04 -1.26 -4.80 135.00 131.93 1wgo s PRO 85 Ca 0.05 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 1wgo s PRO 85 Cb -0.12 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1wgo s PRO 85 CO 0.02 -0.78 0.38 0.42 0.04 0.00 0.00 177.00 177.08 1wgo s ILE 86 N -1.72 4.97 0.26 0.56 1.01 -0.96 -4.85 121.20 120.46 1wgo s ILE 86 Ca 0.71 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1wgo s ILE 86 Cb -0.25 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1wgo s ILE 86 CO 0.28 -0.60 0.94 -0.60 0.00 0.00 0.00 174.94 174.96 1wgo s ARG 87 N 1.58 4.80 -0.30 2.79 3.52 -1.26 -2.50 118.95 127.58 1wgo s ARG 87 Ca 0.04 1.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.97 1wgo s ARG 87 Cb -0.25 -3.17 0.13 0.00 -1.56 0.00 0.00 34.95 30.10 1wgo s ARG 87 CO 0.05 0.47 0.71 -1.58 -0.81 0.00 0.00 175.30 174.13 1wgo s HIS 88 N -1.28 -1.21 -0.07 5.12 2.46 -0.76 -4.94 115.29 114.61 1wgo s HIS 88 Ca 0.43 2.14 -0.03 0.00 0.47 0.00 0.00 55.06 58.06 1wgo s HIS 88 Cb -0.24 0.73 -0.04 0.00 -0.13 0.00 0.00 32.58 32.90 1wgo s HIS 88 CO 0.30 -0.60 0.08 0.50 -2.47 0.00 0.00 174.74 172.55 1wgo s ARG 89 N 2.66 3.18 0.20 2.88 3.52 -1.26 -0.67 118.95 129.47 1wgo s ARG 89 Ca -0.06 -0.33 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 1wgo s ARG 89 Cb -0.10 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1wgo s ARG 89 CO -0.19 0.71 0.19 0.71 -0.81 0.00 0.00 175.30 175.91 1wgo s TYR 90 N -1.05 3.19 -0.14 5.12 2.02 -1.26 -4.95 117.35 120.28 1wgo s TYR 90 Ca 0.17 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.68 1wgo s TYR 90 Cb -0.12 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 1wgo s TYR 90 CO 0.07 0.51 -0.29 0.39 -1.57 0.00 0.00 175.55 174.66 1wgo n GLU 91 N -0.79 0.44 -3.90 -0.62 1.02 -1.26 -0.02 120.64 115.51 1wgo n GLU 91 Ca -0.08 0.17 -0.35 0.00 -0.02 0.00 0.00 57.16 56.89 1wgo n GLU 91 Cb 0.56 -1.27 -0.05 0.00 -0.02 0.00 0.00 31.44 30.66 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wgo s SER 92 N -5.82 6.37 0.46 1.62 1.04 -1.26 -4.41 113.70 111.70 1wgo s SER 92 Ca -0.24 0.39 -0.23 0.00 0.48 0.00 0.00 55.95 56.35 1wgo s SER 92 Cb 0.03 -2.02 -0.07 0.00 0.10 0.00 0.00 66.02 64.06 1wgo s SER 92 CO 0.36 0.32 1.16 -2.16 0.98 0.00 0.00 173.24 173.90 1wgo s PRO 93 N -1.59 3.74 0.00 4.02 0.04 -1.26 -4.97 135.00 134.98 1wgo s PRO 93 Ca 0.22 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1wgo s PRO 93 Cb -0.12 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1wgo s PRO 93 CO 0.13 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1wgo n GLY 94 N 0.43 3.91 3.62 0.56 0.00 -0.12 -4.98 105.19 108.61 1wgo n GLY 94 Ca 0.07 -0.41 -0.52 0.00 0.00 0.00 0.00 46.02 45.17 1wgo n GLY 94 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wgo n ILE 95 N -0.19 0.04 -4.17 -0.61 -0.00 -1.26 -4.30 119.36 108.87 1wgo n ILE 95 Ca 0.00 -0.01 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 1wgo n ILE 95 Cb 0.00 -0.99 -0.05 0.00 -0.00 0.00 0.00 39.64 38.59 1wgo n ILE 95 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1wgo s TYR 96 N 0.92 2.97 -0.33 1.39 2.02 0.90 -4.97 117.35 120.26 1wgo s TYR 96 Ca 0.85 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1wgo s TYR 96 Cb -0.92 -1.34 0.07 0.00 -0.40 0.00 0.00 41.96 39.38 1wgo s TYR 96 CO 0.47 0.55 0.05 1.03 -1.57 0.00 0.00 175.55 176.08 1wgo s ARG 97 N -3.73 2.20 -0.03 -0.62 0.52 -1.26 -1.75 118.95 114.28 1wgo s ARG 97 Ca 0.32 -1.48 -0.03 0.00 -0.52 0.00 0.00 55.73 54.03 1wgo s ARG 97 Cb -0.08 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1wgo s ARG 97 CO 0.23 -0.76 0.14 0.08 0.02 0.00 0.00 175.30 175.00 1wgo s VAL 98 N 1.17 5.19 0.23 3.52 1.01 0.29 -4.13 120.40 127.68 1wgo s VAL 98 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1wgo s VAL 98 Cb -0.20 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1wgo s VAL 98 CO -0.03 0.40 0.27 -0.94 0.00 0.00 0.00 175.10 174.80 1wgo s SER 99 N -1.66 0.23 -0.07 3.32 1.04 -0.97 0.25 113.70 115.84 1wgo s SER 99 Ca 0.23 -1.28 -0.17 0.00 0.48 0.00 0.00 55.95 55.21 1wgo s SER 99 Cb -0.12 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1wgo s SER 99 CO 0.14 -0.98 0.40 0.54 0.98 0.00 0.00 173.24 174.32 1wgo s VAL 100 N -3.99 0.03 -0.06 5.02 0.11 -0.07 -1.63 120.40 119.82 1wgo s VAL 100 Ca 0.33 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1wgo s VAL 100 Cb 0.04 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1wgo s VAL 100 CO 0.13 -0.14 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.06 1wgo s ARG 101 N -0.81 1.41 -0.09 1.54 3.52 -0.83 -2.15 118.95 121.55 1wgo s ARG 101 Ca -0.09 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1wgo s ARG 101 Cb -0.04 -1.21 0.02 0.00 -1.56 0.00 0.00 34.95 32.16 1wgo s ARG 101 CO 0.04 0.02 -0.08 0.00 -0.81 0.00 0.00 175.30 174.47 1wgo s ALA 102 N 0.66 1.18 -0.22 6.12 0.00 0.32 -1.50 121.76 128.31 1wgo s ALA 102 Ca -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1wgo s ALA 102 Cb -0.15 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.32 1wgo s ALA 102 CO 0.03 -0.23 0.18 -2.00 0.00 0.00 0.00 175.76 173.74 1wgo s GLU 103 N 1.35 0.17 0.48 0.00 2.12 -1.23 0.17 118.70 121.77 1wgo s GLU 103 Ca -0.02 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.34 1wgo s GLU 103 Cb -0.14 -1.30 0.02 0.00 0.26 0.00 0.00 34.13 32.98 1wgo s GLU 103 CO -0.04 -0.77 0.52 1.21 -0.54 0.00 0.00 175.26 175.64 1wgo s ASN 104 N 2.24 5.08 0.66 -1.70 2.47 0.16 -4.16 114.94 119.69 1wgo s ASN 104 Ca 0.06 -0.82 0.37 0.00 0.42 0.00 0.00 52.86 52.89 1wgo s ASN 104 Cb -0.16 -0.15 2.04 0.00 -1.45 0.00 0.00 41.25 41.53 1wgo s ASN 104 CO -0.18 -0.94 2.15 0.74 -3.72 0.00 0.00 177.10 175.14 1wgo h THR 105 N 0.69 0.00 0.00 -5.21 2.02 -1.93 -3.24 112.91 105.24 1wgo h THR 105 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1wgo h THR 105 Cb 1.28 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1wgo h THR 105 CO 0.51 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.40 1wgo n ALA 106 N -1.98 0.00 -3.00 6.16 0.00 -1.26 -5.10 120.51 115.33 1wgo n ALA 106 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wgo n ALA 106 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1wgo n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgo n GLY 107 N 2.06 6.56 3.59 0.00 0.00 -1.22 -4.83 105.19 111.35 1wgo n GLY 107 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 1wgo n GLY 107 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wgo s HIS 108 N 0.64 -0.89 0.12 1.61 -3.43 -1.26 0.38 115.29 112.47 1wgo s HIS 108 Ca 0.00 1.93 0.07 0.00 -0.80 0.00 0.00 55.06 56.26 1wgo s HIS 108 Cb 0.00 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 1wgo s HIS 108 CO 0.00 -0.44 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.62 1wgo s ASP 109 N 1.04 2.26 0.03 7.38 1.11 0.44 -4.92 116.67 124.01 1wgo s ASP 109 Ca -0.05 -0.76 -0.04 0.00 0.18 0.00 0.00 52.55 51.87 1wgo s ASP 109 Cb -0.05 -0.11 -0.01 0.00 1.07 0.00 0.00 42.92 43.82 1wgo s ASP 109 CO -0.10 -0.05 0.07 -0.70 1.18 0.00 0.00 175.17 175.57 1wgo s GLU 110 N -2.34 0.51 0.14 8.23 -6.30 -1.26 0.12 118.70 117.80 1wgo s GLU 110 Ca 0.08 -0.69 -0.11 0.00 -2.50 0.00 0.00 54.97 51.76 1wgo s GLU 110 Cb -0.07 0.20 0.00 0.00 0.00 0.00 0.00 34.13 34.26 1wgo s GLU 110 CO 0.04 -0.12 0.30 0.00 0.02 0.00 0.00 175.26 175.50 1wgo s ALA 111 N -2.22 -0.31 -0.03 6.30 0.00 -0.91 -4.95 121.76 119.63 1wgo s ALA 111 Ca -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1wgo s ALA 111 Cb -0.04 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1wgo s ALA 111 CO -0.03 -0.62 0.07 0.08 0.00 0.00 0.00 175.76 175.25 1wgo s VAL 112 N -3.90 -0.05 0.06 0.00 1.01 -1.26 -0.89 120.40 115.37 1wgo s VAL 112 Ca 0.10 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.37 1wgo s VAL 112 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1wgo s VAL 112 CO -0.05 0.08 -0.24 -0.22 0.00 0.00 0.00 175.10 174.67 1wgo s LEU 113 N 1.07 2.21 -0.19 3.92 0.20 0.14 -4.98 118.68 121.05 1wgo s LEU 113 Ca -0.09 -0.60 -0.03 0.00 0.69 0.00 0.00 54.13 54.10 1wgo s LEU 113 Cb -0.12 -1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 1wgo s LEU 113 CO -0.04 0.18 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.78 1wgo s PHE 114 N -0.89 2.93 0.05 5.38 0.40 -1.26 -0.54 117.98 124.04 1wgo s PHE 114 Ca 0.10 -0.85 0.03 0.00 -0.60 0.00 0.00 56.93 55.61 1wgo s PHE 114 Cb -0.10 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1wgo s PHE 114 CO 0.03 -0.45 0.01 0.08 0.70 0.00 0.00 175.22 175.59 1wgo s VAL 115 N 1.15 4.12 -0.08 -0.44 1.01 -0.71 -4.99 120.40 120.46 1wgo s VAL 115 Ca 0.02 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1wgo s VAL 115 Cb -0.14 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1wgo s VAL 115 CO -0.01 0.23 -0.11 0.00 0.00 0.00 0.00 175.10 175.20 1wgo s GLN 116 N -2.00 1.67 -0.28 2.72 -2.07 -1.26 -0.07 119.66 118.37 1wgo s GLN 116 Ca 0.23 -0.38 -0.01 0.00 -1.82 0.00 0.00 55.36 53.39 1wgo s GLN 116 Cb -0.12 -1.46 0.09 0.00 -1.09 0.00 0.00 33.01 30.43 1wgo s GLN 116 CO 0.15 -0.05 0.06 0.54 -1.32 0.00 0.00 175.29 174.67 1wgo s VAL 117 N 0.92 1.00 0.19 3.63 0.11 -1.26 -3.17 120.40 121.83 1wgo s VAL 117 Ca -0.10 -1.27 -0.13 0.00 -2.93 0.00 0.00 61.98 57.56 1wgo s VAL 117 Cb -0.15 -1.63 -0.07 0.00 -1.53 0.00 0.00 36.38 33.00 1wgo s VAL 117 CO 0.01 -0.49 0.56 -0.55 -3.33 0.00 0.00 175.10 171.30 1wgo s SER 118 N 1.58 6.75 0.81 3.54 0.15 -0.33 -0.94 113.70 125.26 1wgo s SER 118 Ca 0.05 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1wgo s SER 118 Cb -0.18 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1wgo s SER 118 CO -0.18 0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1wgo n GLY 119 N 0.38 -3.52 0.00 9.45 0.00 -1.26 -3.97 105.19 106.26 1wgo n GLY 119 Ca -0.03 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 44.89 1wgo n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgo n PRO 120 N -1.61 0.49 -1.64 1.61 -0.04 -1.26 -4.82 135.00 127.72 1wgo n PRO 120 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1wgo n PRO 120 Cb 0.00 -1.36 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 1wgo n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgo n SER 121 N -0.86 1.22 -4.11 3.54 7.64 -1.26 -4.90 113.62 114.88 1wgo n SER 121 Ca 0.08 0.80 -0.36 0.00 1.01 0.00 0.00 58.87 60.41 1wgo n SER 121 Cb 0.04 -1.45 0.06 0.00 -1.01 0.00 0.00 64.21 61.84 1wgo n SER 121 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgo n SER 122 N -1.30 -4.99 0.00 6.43 7.64 -1.26 -5.11 113.62 115.03 1wgo n SER 122 Ca 0.15 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1wgo n SER 122 Cb 0.48 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1wgo n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64