#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 6.47 -0.05 1.61 0.15 -1.26 -5.01 113.70 115.61 1wgo s SER 2 Ca 0.00 0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.50 1wgo s SER 2 Cb 0.00 -2.41 0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1wgo s SER 2 CO 0.00 -0.94 0.44 -0.55 1.20 0.00 0.00 173.24 173.39 1wgo s SER 3 N 2.14 -0.37 -0.30 5.45 0.15 -1.26 -5.15 113.70 114.36 1wgo s SER 3 Ca 0.33 0.40 -0.13 0.00 0.70 0.00 0.00 55.95 57.24 1wgo s SER 3 Cb -0.12 0.47 0.18 0.00 -1.71 0.00 0.00 66.02 64.84 1wgo s SER 3 CO 0.23 -0.46 1.07 -0.83 1.20 0.00 0.00 173.24 174.45 1wgo s GLY 4 N -1.07 -0.49 0.05 9.45 0.00 -1.26 -5.17 107.32 108.84 1wgo s GLY 4 Ca -0.11 2.61 0.08 0.00 0.00 0.00 0.00 44.72 47.30 1wgo s GLY 4 CO 0.05 3.91 -0.21 -0.56 0.00 0.00 0.00 173.10 176.30 1wgo s SER 5 N 2.96 3.61 0.27 1.64 0.01 -1.26 -5.14 113.70 115.79 1wgo s SER 5 Ca 0.06 -0.49 0.09 0.00 1.31 0.00 0.00 55.95 56.91 1wgo s SER 5 Cb -0.08 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1wgo s SER 5 CO -0.14 0.25 0.08 -0.55 0.41 0.00 0.00 173.24 173.29 1wgo s SER 6 N -1.45 4.85 0.00 2.44 0.15 -1.26 -5.03 113.70 113.40 1wgo s SER 6 Ca 0.14 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1wgo s SER 6 Cb -0.10 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1wgo s SER 6 CO 0.05 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wgo n GLY 7 N -1.02 1.45 0.36 9.45 0.00 -1.26 -4.99 105.19 109.19 1wgo n GLY 7 Ca -0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -5.11 3.91 -0.46 0.00 -1.05 -1.26 -4.91 118.70 109.81 1wgo s GLU 9 Ca -0.11 1.05 0.07 0.00 -0.15 0.00 0.00 54.97 55.83 1wgo s GLU 9 Cb 0.08 -3.85 0.24 0.00 -0.44 0.00 0.00 34.13 30.16 1wgo s GLU 9 CO 0.51 -1.13 0.79 0.41 0.95 0.00 0.00 175.26 176.79 1wgo n GLY 10 N 4.32 0.77 2.65 -3.83 0.00 -1.26 -5.01 105.19 102.83 1wgo n GLY 10 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 1wgo n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgo n GLY 11 N 1.59 -1.83 3.92 -0.02 0.00 -1.26 -5.16 105.19 102.42 1wgo n GLY 11 Ca 0.12 1.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.85 1wgo n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wgo s VAL 12 N 0.02 5.33 0.14 1.61 -7.23 -1.26 -5.10 120.40 113.90 1wgo s VAL 12 Ca 0.22 -0.29 -0.25 0.00 -1.81 0.00 0.00 61.98 59.84 1wgo s VAL 12 Cb 0.26 -3.63 0.07 0.00 0.56 0.00 0.00 36.38 33.64 1wgo s VAL 12 CO -0.16 0.10 0.97 -0.62 -0.31 0.00 0.00 175.10 175.08 1wgo s ASP 13 N -2.53 -0.18 -1.35 4.85 -1.08 -1.26 -4.99 116.67 110.13 1wgo s ASP 13 Ca 0.37 -0.37 -0.07 0.00 -0.52 0.00 0.00 52.55 51.96 1wgo s ASP 13 Cb -0.13 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 41.82 1wgo s ASP 13 CO 0.27 -0.86 1.04 0.23 0.52 0.00 0.00 175.17 176.37 1wgo n MET 14 N -0.46 -6.78 0.04 4.34 2.81 -1.26 -4.93 117.12 110.87 1wgo n MET 14 Ca -0.06 0.76 -0.09 0.00 -1.81 0.00 0.00 57.70 56.50 1wgo n MET 14 Cb 0.61 -5.71 -0.07 0.00 -0.71 0.00 0.00 33.22 27.34 1wgo n MET 14 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1wgo h GLN 15 N -2.28 -0.20 0.00 0.03 7.50 -2.02 -3.45 115.11 114.69 1wgo h GLN 15 Ca -0.58 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 58.57 1wgo h GLN 15 Cb 1.36 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.94 1wgo h GLN 15 CO 0.57 0.19 -0.39 0.94 -1.50 0.00 0.00 178.83 178.64 1wgo n GLN 16 N -4.90 0.06 -3.60 1.46 7.27 -1.26 -4.99 117.38 111.43 1wgo n GLN 16 Ca -0.07 0.03 -0.41 0.00 0.07 0.00 0.00 57.00 56.62 1wgo n GLN 16 Cb 0.24 -0.61 -0.11 0.00 2.41 0.00 0.00 30.24 32.17 1wgo n GLN 16 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1wgo s SER 17 N -5.81 5.73 -0.97 1.69 0.15 -1.26 -5.02 113.70 108.21 1wgo s SER 17 Ca -0.04 -1.06 -0.04 0.00 0.70 0.00 0.00 55.95 55.51 1wgo s SER 17 Cb 0.01 -2.02 0.24 0.00 -1.71 0.00 0.00 66.02 62.54 1wgo s SER 17 CO 0.05 -0.41 0.89 0.00 1.20 0.00 0.00 173.24 174.97 1wgo s GLN 18 N 1.54 3.59 0.50 5.44 -2.07 -1.26 -4.63 119.66 122.77 1wgo s GLN 18 Ca 0.02 -3.27 -0.18 0.00 -1.82 0.00 0.00 55.36 50.10 1wgo s GLN 18 Cb -0.20 -4.15 -0.08 0.00 -1.09 0.00 0.00 33.01 27.49 1wgo s GLN 18 CO 0.06 -1.26 1.00 0.14 -1.32 0.00 0.00 175.29 173.92 1wgo s VAL 19 N -1.34 4.21 -0.67 3.63 -7.23 -1.26 -4.97 120.40 112.77 1wgo s VAL 19 Ca 0.29 1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 61.64 1wgo s VAL 19 Cb -0.08 -3.57 0.43 0.00 0.56 0.00 0.00 36.38 33.72 1wgo s VAL 19 CO -0.11 -0.47 1.93 0.00 -0.31 0.00 0.00 175.10 176.14 1wgo n GLN 20 N -1.31 2.81 -3.74 4.82 6.02 -1.26 -4.88 117.38 119.83 1wgo n GLN 20 Ca 0.08 -3.46 -0.26 0.00 -0.01 0.00 0.00 57.00 53.35 1wgo n GLN 20 Cb 0.53 -2.28 -0.17 0.00 1.02 0.00 0.00 30.24 29.34 1wgo n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wgo s LEU 21 N -3.86 0.87 -0.07 1.08 0.20 -1.26 -5.10 118.68 110.54 1wgo s LEU 21 Ca 0.60 -0.50 -0.29 0.00 0.69 0.00 0.00 54.13 54.63 1wgo s LEU 21 Cb 0.48 -0.51 -0.07 0.00 -0.43 0.00 0.00 46.19 45.67 1wgo s LEU 21 CO -0.10 -0.26 1.91 -1.10 -0.29 0.00 0.00 176.35 176.51 1wgo s GLN 22 N 1.92 3.88 0.02 1.98 -0.21 -1.26 -4.98 119.66 121.01 1wgo s GLN 22 Ca 0.02 2.27 0.07 0.00 0.02 0.00 0.00 55.36 57.74 1wgo s GLN 22 Cb -0.15 -4.16 -0.03 0.00 1.00 0.00 0.00 33.01 29.67 1wgo s GLN 22 CO -0.07 -1.23 -0.19 0.00 -2.12 0.00 0.00 175.29 171.68 1wgo n PRO 24 N 1.82 0.49 -4.19 0.00 -0.04 -1.26 -4.71 135.00 127.10 1wgo n PRO 24 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 1wgo n PRO 24 Cb 0.52 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 1wgo n PRO 24 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wgo s LEU 25 N -1.74 3.27 0.07 1.53 0.05 -1.26 -5.14 118.68 115.46 1wgo s LEU 25 Ca 0.17 -0.35 0.01 0.00 0.05 0.00 0.00 54.13 54.01 1wgo s LEU 25 Cb 0.08 -1.97 -0.04 0.00 -2.05 0.00 0.00 46.19 42.21 1wgo s LEU 25 CO 0.13 0.13 -0.05 0.42 -0.55 0.00 0.00 176.35 176.43 1wgo s THR 26 N -1.51 0.47 0.85 5.48 -4.23 -1.26 -5.05 115.64 110.39 1wgo s THR 26 Ca 0.25 -1.77 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 1wgo s THR 26 Cb -0.10 -1.47 0.10 0.00 1.34 0.00 0.00 72.50 72.37 1wgo s THR 26 CO 0.17 -0.87 1.09 -2.16 -0.54 0.00 0.00 174.62 172.32 1wgo s PRO 27 N -3.58 1.66 0.26 3.99 0.04 -1.26 -4.69 135.00 131.42 1wgo s PRO 27 Ca 0.07 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1wgo s PRO 27 Cb 0.04 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 1wgo s PRO 27 CO -0.06 -2.00 1.27 -1.25 0.04 0.00 0.00 177.00 174.99 1wgo s PRO 28 N -4.92 4.43 0.32 0.56 0.04 -1.26 -4.93 135.00 129.24 1wgo s PRO 28 Ca 0.62 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.75 1wgo s PRO 28 Cb -0.18 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1wgo s PRO 28 CO 0.57 -0.14 0.11 -0.98 0.04 0.00 0.00 177.00 176.60 1wgo s ARG 29 N -0.91 1.65 -1.10 4.56 1.70 -1.26 -4.71 118.95 118.88 1wgo s ARG 29 Ca 0.52 -1.95 -0.02 0.00 -0.47 0.00 0.00 55.73 53.82 1wgo s ARG 29 Cb -0.37 -0.44 0.02 0.00 -0.57 0.00 0.00 34.95 33.59 1wgo s ARG 29 CO 0.43 -0.36 0.04 0.41 -1.08 0.00 0.00 175.30 174.74 1wgo n GLY 30 N -0.66 -0.10 3.39 3.88 0.00 -1.26 -3.32 105.19 107.12 1wgo n GLY 30 Ca -0.02 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.98 4.98 0.24 0.99 1.98 -1.26 -3.27 118.68 116.36 1wgo s LEU 31 Ca 0.06 -1.05 -0.11 0.00 -2.89 0.00 0.00 54.13 50.13 1wgo s LEU 31 Cb -0.03 -2.08 -0.01 0.00 0.66 0.00 0.00 46.19 44.73 1wgo s LEU 31 CO 0.70 -0.45 0.43 0.00 -1.89 0.00 0.00 176.35 175.14 1wgo s GLN 32 N 1.59 1.50 0.23 1.98 -2.07 -1.25 -4.44 119.66 117.19 1wgo s GLN 32 Ca 0.03 -1.31 0.11 0.00 -1.82 0.00 0.00 55.36 52.38 1wgo s GLN 32 Cb -0.20 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1wgo s GLN 32 CO 0.07 -0.61 -0.20 0.14 -1.32 0.00 0.00 175.29 173.38 1wgo s VAL 33 N -4.04 2.54 0.17 3.63 -7.23 -1.26 -3.70 120.40 110.51 1wgo s VAL 33 Ca 0.25 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1wgo s VAL 33 Cb 0.00 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1wgo s VAL 33 CO 0.09 -0.23 0.25 -0.94 -0.31 0.00 0.00 175.10 173.96 1wgo s SER 34 N -3.04 0.09 -0.22 4.85 1.04 -0.38 -4.97 113.70 111.07 1wgo s SER 34 Ca 0.25 -0.98 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 1wgo s SER 34 Cb -0.07 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1wgo s SER 34 CO 0.13 -0.88 0.09 -0.63 0.98 0.00 0.00 173.24 172.93 1wgo s ILE 35 N -4.00 4.77 -0.96 -1.02 1.01 -1.26 0.18 121.20 119.92 1wgo s ILE 35 Ca 0.21 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 1wgo s ILE 35 Cb 0.04 -3.20 -0.26 0.00 0.01 0.00 0.00 42.46 39.04 1wgo s ILE 35 CO 0.02 0.38 2.43 1.67 0.00 0.00 0.00 174.94 179.44 1wgo n GLN 36 N 4.29 0.08 -0.13 2.79 -0.06 0.09 -4.06 117.38 120.38 1wgo n GLN 36 Ca -0.16 -0.04 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 1wgo n GLN 36 Cb 0.52 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.21 1wgo n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wgo n GLY 37 N 6.05 -1.53 3.54 1.69 0.00 -1.26 -4.86 105.19 108.81 1wgo n GLY 37 Ca 0.64 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1wgo n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wgo n GLU 38 N 0.98 1.43 -4.38 1.61 2.13 -1.26 -4.94 120.64 116.21 1wgo n GLU 38 Ca 0.00 0.33 -0.32 0.00 0.66 0.00 0.00 57.16 57.83 1wgo n GLU 38 Cb 0.00 -2.96 -0.10 0.00 0.27 0.00 0.00 31.44 28.65 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wgo s ALA 39 N 8.76 3.09 -0.11 4.31 0.00 -1.26 -5.06 121.76 131.49 1wgo s ALA 39 Ca 1.05 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 1wgo s ALA 39 Cb -0.51 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1wgo s ALA 39 CO 0.39 0.63 -0.20 0.28 0.00 0.00 0.00 175.76 176.86 1wgo n VAL 40 N 1.41 0.93 -3.73 0.00 0.31 -1.26 -4.97 118.33 111.01 1wgo n VAL 40 Ca -0.15 0.28 -0.27 0.00 -0.01 0.00 0.00 64.34 64.20 1wgo n VAL 40 Cb 0.52 -2.04 -0.17 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.92 0.93 0.28 3.52 0.00 -1.26 -4.76 121.76 117.55 1wgo s ALA 41 Ca -0.16 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1wgo s ALA 41 Cb 0.02 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1wgo s ALA 41 CO 0.24 -1.07 0.52 0.08 0.00 0.00 0.00 175.76 175.53 1wgo s VAL 42 N 1.89 5.08 0.37 0.00 1.01 -1.18 -4.88 120.40 122.69 1wgo s VAL 42 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1wgo s VAL 42 Cb -0.16 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 1wgo s VAL 42 CO -0.08 -0.35 0.79 -0.13 0.00 0.00 0.00 175.10 175.34 1wgo s ARG 43 N -3.67 4.00 -0.52 2.72 3.00 -1.26 -2.38 118.95 120.84 1wgo s ARG 43 Ca 0.42 0.73 -0.27 0.00 0.00 0.00 0.00 55.73 56.60 1wgo s ARG 43 Cb -0.11 -2.36 -0.02 0.00 0.00 0.00 0.00 34.95 32.46 1wgo s ARG 43 CO 0.31 0.07 1.80 -1.25 0.00 0.00 0.00 175.30 176.23 1wgo s PRO 44 N -3.23 2.91 0.00 3.54 0.04 -1.25 -3.02 135.00 133.99 1wgo s PRO 44 Ca 0.55 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1wgo s PRO 44 Cb -0.10 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1wgo s PRO 44 CO 0.20 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.27 1wgo n GLY 45 N 5.57 1.99 3.09 0.56 0.00 -1.24 -4.88 105.19 110.27 1wgo n GLY 45 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 2.43 -0.05 1.61 0.41 -1.17 -4.85 118.70 117.05 1wgo s GLU 46 Ca 0.00 -1.22 -0.34 0.00 -0.41 0.00 0.00 54.97 53.00 1wgo s GLU 46 Cb 0.00 -2.82 -0.12 0.00 -1.78 0.00 0.00 34.13 29.40 1wgo s GLU 46 CO 0.00 -0.48 1.83 -0.40 -0.49 0.00 0.00 175.26 175.71 1wgo n ASP 47 N 4.48 3.37 -4.68 -0.19 5.75 -1.26 -4.61 116.55 119.41 1wgo n ASP 47 Ca -0.16 0.99 -0.31 0.00 -0.01 0.00 0.00 54.79 55.31 1wgo n ASP 47 Cb 0.44 -1.38 -0.08 0.00 -1.03 0.00 0.00 41.12 39.07 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 3.50 4.05 -0.03 2.12 0.11 -0.12 -4.93 120.40 125.11 1wgo s VAL 48 Ca 0.90 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1wgo s VAL 48 Cb -0.69 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1wgo s VAL 48 CO 0.49 0.22 0.05 -0.76 -3.33 0.00 0.00 175.10 171.77 1wgo s LEU 49 N -2.02 3.79 -0.24 2.54 2.01 -1.26 -2.66 118.68 120.84 1wgo s LEU 49 Ca 0.23 0.13 0.02 0.00 0.01 0.00 0.00 54.13 54.52 1wgo s LEU 49 Cb -0.12 -2.12 0.05 0.00 0.01 0.00 0.00 46.19 44.01 1wgo s LEU 49 CO 0.15 0.30 -0.12 -0.36 1.01 0.00 0.00 176.35 177.34 1wgo s PHE 50 N -1.10 3.13 -0.02 0.29 0.08 -1.11 -0.73 117.98 118.51 1wgo s PHE 50 Ca 0.20 -2.03 -0.21 0.00 0.12 0.00 0.00 56.93 55.01 1wgo s PHE 50 Cb -0.12 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1wgo s PHE 50 CO 0.10 -0.84 0.61 0.08 -0.10 0.00 0.00 175.22 175.07 1wgo s VAL 51 N 1.19 4.95 0.05 -0.44 1.01 0.13 -3.16 120.40 124.12 1wgo s VAL 51 Ca -0.04 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1wgo s VAL 51 Cb -0.18 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1wgo s VAL 51 CO -0.07 0.38 -0.10 0.54 0.00 0.00 0.00 175.10 175.85 1wgo s VAL 52 N 0.07 3.35 0.05 2.92 0.11 -1.26 -1.25 120.40 124.39 1wgo s VAL 52 Ca 0.32 -1.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.19 1wgo s VAL 52 Cb -0.18 -2.49 0.02 0.00 -1.53 0.00 0.00 36.38 32.20 1wgo s VAL 52 CO 0.17 0.28 0.30 -0.60 -3.33 0.00 0.00 175.10 171.92 1wgo s ARG 53 N -1.70 0.81 0.17 1.54 3.52 -1.24 -4.92 118.95 117.12 1wgo s ARG 53 Ca 0.18 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 1wgo s ARG 53 Cb -0.11 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.58 1wgo s ARG 53 CO 0.09 -0.26 -0.09 -0.65 -0.81 0.00 0.00 175.30 173.58 1wgo s GLN 54 N -2.61 1.13 -0.09 5.12 -0.21 -1.26 -3.82 119.66 117.93 1wgo s GLN 54 Ca -0.05 -1.50 0.20 0.00 0.02 0.00 0.00 55.36 54.03 1wgo s GLN 54 Cb -0.01 -0.66 -0.29 0.00 1.00 0.00 0.00 33.01 33.05 1wgo s GLN 54 CO -0.04 0.05 0.34 0.39 -2.12 0.00 0.00 175.29 173.92 1wgo n GLU 55 N -0.25 0.67 -0.02 2.91 -0.58 -1.20 -4.37 120.64 117.80 1wgo n GLU 55 Ca -0.09 -0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.47 1wgo n GLU 55 Cb 0.61 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.80 1wgo n GLU 55 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1wgo h GLN 56 N 0.00 0.00 -0.25 3.49 4.15 -1.90 -3.49 115.11 117.10 1wgo h GLN 56 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1wgo h GLN 56 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1wgo h GLN 56 CO 0.01 0.51 0.00 0.41 -1.93 0.00 0.00 178.83 177.84 1wgo n GLY 57 N 1.54 1.11 3.60 2.39 0.00 -1.26 -4.37 105.19 108.20 1wgo n GLY 57 Ca -0.16 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1wgo n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgo n ASP 58 N 0.61 -1.89 -0.18 1.61 -0.08 -1.26 -4.82 116.55 110.54 1wgo n ASP 58 Ca 0.00 -0.77 0.01 0.00 -1.51 0.00 0.00 54.79 52.52 1wgo n ASP 58 Cb 0.18 -4.37 0.04 0.00 2.34 0.00 0.00 41.12 39.32 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1wgo n VAL 59 N -4.17 -0.23 -4.11 5.18 3.14 -1.26 -4.57 118.33 112.31 1wgo n VAL 59 Ca -0.28 1.13 -0.12 0.00 -2.96 0.00 0.00 64.34 62.11 1wgo n VAL 59 Cb 0.67 -1.52 -0.07 0.00 -1.06 0.00 0.00 33.84 31.86 1wgo n VAL 59 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1wgo s LEU 60 N -9.50 0.87 -0.86 6.55 1.43 -1.26 -5.07 118.68 110.85 1wgo s LEU 60 Ca -0.07 -1.28 -0.31 0.00 -1.03 0.00 0.00 54.13 51.44 1wgo s LEU 60 Cb 0.11 1.13 -0.19 0.00 0.03 0.00 0.00 46.19 47.27 1wgo s LEU 60 CO 0.36 -1.07 2.59 0.35 0.23 0.00 0.00 176.35 178.82 1wgo n THR 61 N -0.40 -0.01 -3.84 5.49 -2.24 -1.26 -4.88 114.28 107.14 1wgo n THR 61 Ca 0.01 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1wgo n THR 61 Cb 0.63 -0.92 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 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 9.25 3.60 0.19 4.28 2.01 -1.26 -4.73 115.64 128.97 1wgo s THR 62 Ca 1.28 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 1wgo s THR 62 Cb -1.09 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1wgo s THR 62 CO 0.47 0.23 1.14 -0.54 -0.69 0.00 0.00 174.62 175.23 1wgo s LYS 63 N 1.47 4.55 -0.08 4.92 -0.14 -1.25 -3.51 119.74 125.70 1wgo s LYS 63 Ca 0.03 1.79 0.04 0.00 -1.36 0.00 0.00 55.97 56.48 1wgo s LYS 63 Cb -0.16 -3.25 -0.01 0.00 -1.68 0.00 0.00 37.83 32.73 1wgo s LYS 63 CO -0.01 0.01 -0.23 0.71 -0.76 0.00 0.00 175.35 175.08 1wgo s TYR 64 N -0.24 2.54 -0.31 3.18 2.02 -1.08 -2.94 117.35 120.52 1wgo s TYR 64 Ca 0.50 -0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1wgo s TYR 64 Cb -0.31 -1.67 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 1wgo s TYR 64 CO 0.36 -0.28 0.03 -1.14 -1.57 0.00 0.00 175.55 172.95 1wgo s GLN 65 N 0.08 2.37 -0.26 -0.62 2.00 0.89 -2.33 119.66 121.78 1wgo s GLN 65 Ca -0.10 -1.33 -0.19 0.00 -2.00 0.00 0.00 55.36 51.73 1wgo s GLN 65 Cb -0.16 -3.24 -0.02 0.00 0.80 0.00 0.00 33.01 30.39 1wgo s GLN 65 CO 0.06 -0.68 0.58 0.08 -0.50 0.00 0.00 175.29 174.83 1wgo s VAL 66 N 1.24 5.02 -0.27 1.34 1.01 -1.16 -1.41 120.40 126.17 1wgo s VAL 66 Ca -0.03 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.94 1wgo s VAL 66 Cb -0.20 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1wgo s VAL 66 CO -0.01 0.03 -0.07 -1.81 0.00 0.00 0.00 175.10 173.24 1wgo s ASP 67 N 1.53 4.60 -0.09 3.32 1.01 -0.24 -3.57 116.67 123.23 1wgo s ASP 67 Ca 0.24 -1.31 -0.12 0.00 0.71 0.00 0.00 52.55 52.07 1wgo s ASP 67 Cb -0.15 -1.62 -0.09 0.00 1.01 0.00 0.00 42.92 42.07 1wgo s ASP 67 CO 0.09 -0.21 0.41 -0.07 0.21 0.00 0.00 175.17 175.59 1wgo h LEU 68 N 7.87 -0.10 0.00 1.23 -0.00 -1.78 -1.40 115.31 121.13 1wgo h LEU 68 Ca -0.21 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1wgo h LEU 68 Cb 1.05 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1wgo h LEU 68 CO 0.50 0.49 0.00 0.61 -0.00 0.00 0.00 178.44 180.04 1wgo n GLY 69 N 1.32 3.65 0.32 0.83 0.00 -1.26 -3.68 105.19 106.37 1wgo n GLY 69 Ca -0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wgo n GLY 69 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wgo h ASP 70 N 1.03 -0.66 0.00 1.61 1.82 -1.95 -3.45 116.42 114.82 1wgo h ASP 70 Ca 0.00 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 1wgo h ASP 70 Cb 0.00 0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 1wgo h ASP 70 CO 0.00 -0.36 -0.08 0.61 -1.61 0.00 0.00 179.24 177.81 1wgo n GLY 71 N -0.58 -0.21 3.14 -0.78 0.00 -1.26 -5.13 105.19 100.37 1wgo n GLY 71 Ca -0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 0.01 2.77 -0.20 1.61 5.36 -1.26 -5.09 117.98 121.18 1wgo s PHE 72 Ca 0.01 -1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 54.36 1wgo s PHE 72 Cb 0.05 -1.91 0.08 0.00 -0.34 0.00 0.00 43.02 40.89 1wgo s PHE 72 CO -0.01 -0.77 0.14 0.15 -1.46 0.00 0.00 175.22 173.27 1wgo s LYS 73 N 1.22 0.12 0.31 10.12 1.02 -1.26 -2.95 119.74 128.32 1wgo s LYS 73 Ca 0.03 -0.08 0.03 0.00 0.02 0.00 0.00 55.97 55.98 1wgo s LYS 73 Cb -0.13 -1.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1wgo s LYS 73 CO -0.11 -0.73 0.16 0.00 -0.92 0.00 0.00 175.35 173.75 1wgo s ALA 74 N 2.19 2.03 -0.09 5.17 0.00 -1.23 -5.07 121.76 124.75 1wgo s ALA 74 Ca 0.05 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.25 1wgo s ALA 74 Cb -0.16 1.14 0.04 0.00 0.00 0.00 0.00 23.12 24.13 1wgo s ALA 74 CO -0.15 -0.50 0.03 1.41 0.00 0.00 0.00 175.76 176.55 1wgo s MET 75 N -3.79 0.41 -0.15 0.00 1.75 -1.26 -2.98 119.30 113.28 1wgo s MET 75 Ca 0.35 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 1wgo s MET 75 Cb 0.05 -1.12 -0.00 0.00 2.84 0.00 0.00 34.83 36.59 1wgo s MET 75 CO 0.18 -0.39 -0.15 0.71 -0.65 0.00 0.00 175.02 174.72 1wgo s TYR 76 N 2.02 2.78 0.11 4.11 2.02 -0.98 -4.98 117.35 122.42 1wgo s TYR 76 Ca 0.04 -0.94 -0.07 0.00 -0.37 0.00 0.00 57.07 55.72 1wgo s TYR 76 Cb -0.13 -1.88 -0.06 0.00 -0.40 0.00 0.00 41.96 39.49 1wgo s TYR 76 CO -0.06 -0.41 0.38 0.54 -1.57 0.00 0.00 175.55 174.43 1wgo s VAL 77 N 0.71 5.14 -1.74 0.71 0.11 -1.26 -2.65 120.40 121.42 1wgo s VAL 77 Ca -0.07 0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1wgo s VAL 77 Cb -0.16 -3.62 0.15 0.00 -1.53 0.00 0.00 36.38 31.22 1wgo s VAL 77 CO 0.02 0.17 0.46 0.59 -3.33 0.00 0.00 175.10 173.01 1wgo n ASN 78 N 0.51 -1.24 -0.49 3.54 3.02 -1.23 -4.72 115.26 114.64 1wgo n ASN 78 Ca -0.05 -1.20 0.41 0.00 -0.03 0.00 0.00 54.58 53.70 1wgo n ASN 78 Cb 0.52 -1.88 0.72 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.28 0.12 -0.45 3.41 5.85 -1.87 1.46 115.31 122.56 1wgo h LEU 79 Ca -0.62 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 57.98 1wgo h LEU 79 Cb 1.39 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1wgo h LEU 79 CO 0.81 -0.06 -0.70 0.71 -0.34 0.00 0.00 178.44 178.86 1wgo h THR 80 N 0.06 1.38 0.19 1.05 1.35 -1.91 0.34 112.91 115.38 1wgo h THR 80 Ca 0.78 -2.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1wgo h THR 80 Cb 2.80 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 71.31 1wgo h THR 80 CO -0.18 0.64 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.57 1wgo h LEU 81 N 0.25 -0.21 -0.28 3.87 -0.00 0.17 -2.97 115.31 116.14 1wgo h LEU 81 Ca -0.02 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 57.67 1wgo h LEU 81 Cb 1.27 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.96 1wgo h LEU 81 CO 0.12 -0.13 -0.79 0.71 -0.00 0.00 0.00 178.44 178.35 1wgo h THR 82 N -0.28 1.48 0.00 0.22 1.35 -1.54 -3.47 112.91 110.67 1wgo h THR 82 Ca -0.03 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1wgo h THR 82 Cb 0.22 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1wgo h THR 82 CO 0.04 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1wgo n GLY 83 N 0.95 1.40 2.78 5.82 0.00 0.11 -4.94 105.19 111.31 1wgo n GLY 83 Ca -0.00 -0.03 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 1wgo n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgo n GLU 84 N 0.00 0.00 -1.11 1.61 4.71 -1.26 -4.88 120.64 119.71 1wgo n GLU 84 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 1wgo n GLU 84 Cb 0.00 -1.16 0.22 0.00 -1.01 0.00 0.00 31.44 29.49 1wgo n GLU 84 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wgo s PRO 85 N 3.09 -0.72 -0.53 3.49 0.04 -1.26 -4.97 135.00 134.15 1wgo s PRO 85 Ca 0.85 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.87 1wgo s PRO 85 Cb -1.16 -1.64 0.13 0.00 0.04 0.00 0.00 34.50 31.87 1wgo s PRO 85 CO 0.60 -3.41 0.46 0.42 0.04 0.00 0.00 177.00 175.10 1wgo s ILE 86 N -2.99 4.91 0.21 0.56 1.01 -1.19 -4.96 121.20 118.75 1wgo s ILE 86 Ca 0.69 -1.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.43 1wgo s ILE 86 Cb -0.13 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1wgo s ILE 86 CO 0.57 -0.85 0.88 -0.60 0.00 0.00 0.00 174.94 174.94 1wgo s ARG 87 N 1.48 4.75 -0.23 2.79 3.00 -1.26 -2.74 118.95 126.74 1wgo s ARG 87 Ca 0.04 1.36 -0.18 0.00 -1.00 0.00 0.00 55.73 55.95 1wgo s ARG 87 Cb -0.28 -3.27 0.06 0.00 0.00 0.00 0.00 34.95 31.46 1wgo s ARG 87 CO 0.01 0.54 0.59 -1.58 0.00 0.00 0.00 175.30 174.86 1wgo s HIS 88 N -1.17 -0.74 0.04 5.12 2.46 -1.09 -5.02 115.29 114.89 1wgo s HIS 88 Ca 0.39 1.68 0.09 0.00 0.47 0.00 0.00 55.06 57.69 1wgo s HIS 88 Cb -0.25 0.32 -0.03 0.00 -0.13 0.00 0.00 32.58 32.50 1wgo s HIS 88 CO 0.30 -0.37 -0.25 0.50 -2.47 0.00 0.00 174.74 172.45 1wgo s ARG 89 N 0.78 1.71 0.38 2.88 3.00 -1.26 -0.95 118.95 125.49 1wgo s ARG 89 Ca -0.04 -1.06 0.08 0.00 -1.00 0.00 0.00 55.73 53.71 1wgo s ARG 89 Cb -0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 34.95 32.99 1wgo s ARG 89 CO -0.06 0.48 0.22 0.71 0.00 0.00 0.00 175.30 176.65 1wgo s TYR 90 N -0.79 2.69 0.01 5.12 2.02 -1.26 -5.01 117.35 120.13 1wgo s TYR 90 Ca 0.11 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1wgo s TYR 90 Cb -0.10 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1wgo s TYR 90 CO 0.02 0.17 -0.08 0.39 -1.57 0.00 0.00 175.55 174.48 1wgo n GLU 91 N -1.29 0.13 -4.05 -0.62 1.02 -1.26 -3.59 120.64 110.98 1wgo n GLU 91 Ca -0.01 0.05 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 1wgo n GLU 91 Cb 0.62 -0.72 -0.06 0.00 -0.02 0.00 0.00 31.44 31.27 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wgo s SER 92 N -5.88 5.66 0.99 1.62 0.01 -1.26 -4.35 113.70 110.49 1wgo s SER 92 Ca -0.07 -0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 1wgo s SER 92 Cb 0.02 -1.54 0.18 0.00 0.21 0.00 0.00 66.02 64.89 1wgo s SER 92 CO 0.10 0.11 1.09 -2.16 0.41 0.00 0.00 173.24 172.80 1wgo s PRO 93 N -2.80 0.53 0.00 12.44 0.04 -1.26 -4.88 135.00 139.07 1wgo s PRO 93 Ca 0.31 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1wgo s PRO 93 Cb -0.11 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1wgo s PRO 93 CO 0.24 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1wgo n GLY 94 N -1.08 3.89 3.67 0.56 0.00 -0.37 -5.03 105.19 106.83 1wgo n GLY 94 Ca 0.05 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.17 1.53 -4.26 -0.61 5.41 -1.26 -4.42 119.36 115.59 1wgo n ILE 95 Ca 0.00 -0.38 -0.23 0.00 1.00 0.00 0.00 62.75 63.14 1wgo n ILE 95 Cb 0.00 -1.45 -0.07 0.00 -0.71 0.00 0.00 39.64 37.42 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 -0.63 2.77 -0.36 1.39 1.51 -0.48 -4.97 117.35 116.58 1wgo s TYR 96 Ca 0.62 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1wgo s TYR 96 Cb -0.62 -1.23 0.09 0.00 -0.11 0.00 0.00 41.96 40.08 1wgo s TYR 96 CO 0.56 0.60 0.10 1.03 -1.11 0.00 0.00 175.55 176.74 1wgo s ARG 97 N -3.71 2.06 -0.07 -0.62 0.52 -1.26 -2.76 118.95 113.12 1wgo s ARG 97 Ca 0.32 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1wgo s ARG 97 Cb -0.07 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 1wgo s ARG 97 CO 0.21 -0.88 -0.06 0.08 0.02 0.00 0.00 175.30 174.67 1wgo s VAL 98 N 1.14 3.81 -0.01 3.52 1.01 -0.49 -4.01 120.40 125.36 1wgo s VAL 98 Ca 0.04 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1wgo s VAL 98 Cb -0.21 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1wgo s VAL 98 CO -0.04 0.60 0.16 -0.44 0.00 0.00 0.00 175.10 175.37 1wgo s SER 99 N -0.77 -0.03 -0.16 3.32 0.01 -0.53 -0.34 113.70 115.20 1wgo s SER 99 Ca 0.12 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1wgo s SER 99 Cb -0.11 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.39 1wgo s SER 99 CO 0.02 -0.30 -0.16 0.54 0.41 0.00 0.00 173.24 173.75 1wgo s VAL 100 N -1.03 1.71 -0.23 3.43 0.11 -0.62 -1.08 120.40 122.69 1wgo s VAL 100 Ca -0.11 -0.73 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1wgo s VAL 100 Cb -0.06 -1.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1wgo s VAL 100 CO 0.01 0.47 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.63 1wgo s ARG 101 N 1.43 3.36 -0.12 1.54 3.00 -0.50 -0.88 118.95 126.78 1wgo s ARG 101 Ca 0.05 -0.64 0.01 0.00 -1.00 0.00 0.00 55.73 54.14 1wgo s ARG 101 Cb -0.13 -3.06 0.02 0.00 0.00 0.00 0.00 34.95 31.78 1wgo s ARG 101 CO -0.11 -0.22 -0.13 0.00 0.00 0.00 0.00 175.30 174.84 1wgo s ALA 102 N 1.49 1.60 -0.08 6.12 0.00 -0.27 -0.08 121.76 130.55 1wgo s ALA 102 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1wgo s ALA 102 Cb -0.15 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1wgo s ALA 102 CO -0.02 -0.24 -0.13 -2.00 0.00 0.00 0.00 175.76 173.37 1wgo s GLU 103 N 1.29 1.82 0.46 0.00 -6.30 -1.15 0.08 118.70 114.91 1wgo s GLU 103 Ca -0.01 -0.44 0.05 0.00 -2.50 0.00 0.00 54.97 52.07 1wgo s GLU 103 Cb -0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 34.13 32.44 1wgo s GLU 103 CO -0.06 0.00 0.13 1.21 0.02 0.00 0.00 175.26 176.57 1wgo s ASN 104 N 0.76 4.26 0.20 -1.70 2.47 0.79 -3.88 114.94 117.84 1wgo s ASN 104 Ca -0.13 -1.34 -0.10 0.00 0.42 0.00 0.00 52.86 51.71 1wgo s ASN 104 Cb -0.16 -0.00 0.23 0.00 -1.45 0.00 0.00 41.25 39.87 1wgo s ASN 104 CO 0.03 -0.72 1.79 0.74 -3.72 0.00 0.00 177.10 175.22 1wgo h THR 105 N 1.35 0.91 0.08 -5.21 2.02 -1.98 -3.22 112.91 106.88 1wgo h THR 105 Ca -0.42 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1wgo h THR 105 Cb 1.28 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1wgo h THR 105 CO 0.71 0.11 -0.04 0.00 0.37 0.00 0.00 175.52 176.67 1wgo h ALA 106 N 1.35 -0.74 -3.00 6.16 0.00 -1.96 -3.49 119.26 117.58 1wgo h ALA 106 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wgo h ALA 106 Cb 0.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wgo h ALA 106 CO -0.21 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.72 1wgo n GLY 107 N -0.20 5.56 3.61 0.00 0.00 -1.22 -4.85 105.19 108.11 1wgo n GLY 107 Ca -0.01 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 0.61 -0.89 0.28 1.61 -3.43 -1.26 -0.15 115.29 112.05 1wgo s HIS 108 Ca 0.00 1.97 0.02 0.00 -0.80 0.00 0.00 55.06 56.26 1wgo s HIS 108 Cb 0.00 0.42 -0.06 0.00 -1.43 0.00 0.00 32.58 31.52 1wgo s HIS 108 CO 0.00 -0.44 0.07 -0.51 -2.00 0.00 0.00 174.74 171.87 1wgo s ASP 109 N 0.93 1.66 0.13 7.38 1.11 0.11 -4.90 116.67 123.10 1wgo s ASP 109 Ca -0.04 -1.36 -0.22 0.00 0.18 0.00 0.00 52.55 51.11 1wgo s ASP 109 Cb -0.05 0.06 0.06 0.00 1.07 0.00 0.00 42.92 44.06 1wgo s ASP 109 CO -0.08 -0.66 0.55 -0.70 1.18 0.00 0.00 175.17 175.45 1wgo s GLU 110 N -3.97 1.19 0.19 8.23 2.12 -1.26 -1.12 118.70 124.08 1wgo s GLU 110 Ca 0.36 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 1wgo s GLU 110 Cb 0.08 0.54 -0.03 0.00 0.26 0.00 0.00 34.13 34.98 1wgo s GLU 110 CO 0.14 -0.49 0.20 0.00 -0.54 0.00 0.00 175.26 174.56 1wgo s ALA 111 N -3.49 0.65 0.02 6.30 0.00 -0.06 -4.95 121.76 120.25 1wgo s ALA 111 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1wgo s ALA 111 Cb -0.00 1.12 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 1wgo s ALA 111 CO -0.10 -0.62 -0.04 0.08 0.00 0.00 0.00 175.76 175.08 1wgo s VAL 112 N -4.08 0.22 -0.14 0.00 1.01 -1.26 -1.59 120.40 114.56 1wgo s VAL 112 Ca 0.29 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 1wgo s VAL 112 Cb 0.05 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.14 1wgo s VAL 112 CO 0.07 -0.43 0.40 -0.22 0.00 0.00 0.00 175.10 174.92 1wgo s LEU 113 N -1.37 0.49 -0.09 3.92 0.20 0.54 -4.88 118.68 117.49 1wgo s LEU 113 Ca -0.13 0.77 0.02 0.00 0.69 0.00 0.00 54.13 55.48 1wgo s LEU 113 Cb -0.09 1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 47.02 1wgo s LEU 113 CO -0.01 -0.15 -0.15 -0.36 -0.29 0.00 0.00 176.35 175.39 1wgo s PHE 114 N 0.15 2.72 -0.22 5.38 0.40 -1.26 -1.40 117.98 123.75 1wgo s PHE 114 Ca -0.01 -0.51 -0.05 0.00 -0.60 0.00 0.00 56.93 55.76 1wgo s PHE 114 Cb -0.03 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1wgo s PHE 114 CO 0.01 -0.09 0.01 0.08 0.70 0.00 0.00 175.22 175.93 1wgo s VAL 115 N -0.06 3.89 -0.34 -0.44 1.01 -1.11 -4.97 120.40 118.38 1wgo s VAL 115 Ca -0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1wgo s VAL 115 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1wgo s VAL 115 CO 0.04 0.39 0.39 -1.58 0.00 0.00 0.00 175.10 174.34 1wgo s GLN 116 N 1.38 3.61 -0.27 2.72 0.74 -1.26 -1.38 119.66 125.20 1wgo s GLN 116 Ca 0.05 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1wgo s GLN 116 Cb -0.15 -3.79 0.07 0.00 1.10 0.00 0.00 33.01 30.25 1wgo s GLN 116 CO 0.01 -0.52 -0.01 0.54 -0.55 0.00 0.00 175.29 174.75 1wgo s VAL 117 N 2.08 1.57 1.27 1.34 0.11 -1.26 -3.08 120.40 122.44 1wgo s VAL 117 Ca 0.13 -1.46 -0.20 0.00 -2.93 0.00 0.00 61.98 57.52 1wgo s VAL 117 Cb -0.16 -1.95 0.31 0.00 -1.53 0.00 0.00 36.38 33.05 1wgo s VAL 117 CO 0.12 -0.28 1.04 -0.94 -3.33 0.00 0.00 175.10 171.71 1wgo s SER 118 N 1.33 0.25 1.00 3.54 1.04 -1.00 -1.24 113.70 118.62 1wgo s SER 118 Ca -0.00 0.76 -0.13 0.00 0.48 0.00 0.00 55.95 57.06 1wgo s SER 118 Cb -0.19 -1.09 0.18 0.00 0.10 0.00 0.00 66.02 65.03 1wgo s SER 118 CO -0.09 -4.55 1.07 0.61 0.98 0.00 0.00 173.24 171.26 1wgo n GLY 119 N -0.05 -1.42 3.71 7.32 0.00 -1.26 -3.84 105.19 109.65 1wgo n GLY 119 Ca 0.12 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1wgo n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgo s PRO 120 N -5.34 1.19 -0.03 1.61 0.04 -1.26 -4.62 135.00 126.58 1wgo s PRO 120 Ca 0.61 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.19 1wgo s PRO 120 Cb -0.02 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1wgo s PRO 120 CO 0.43 -2.28 0.78 0.45 0.04 0.00 0.00 177.00 176.41 1wgo s SER 121 N -3.43 7.12 -1.62 6.66 0.15 -1.26 -3.92 113.70 117.40 1wgo s SER 121 Ca 0.64 1.35 -0.14 0.00 0.70 0.00 0.00 55.95 58.49 1wgo s SER 121 Cb -0.18 -2.46 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 1wgo s SER 121 CO 0.57 -0.13 0.74 -0.24 1.20 0.00 0.00 173.24 175.39 1wgo n SER 122 N 3.63 -2.93 -0.49 5.45 2.88 -1.26 -5.26 113.62 115.64 1wgo n SER 122 Ca 0.00 -0.98 0.14 0.00 -1.33 0.00 0.00 58.87 56.70 1wgo n SER 122 Cb 0.51 -2.97 0.52 0.00 -0.75 0.00 0.00 64.21 61.52 1wgo n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42