#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 -0.46 -0.29 1.61 0.15 -1.26 -5.17 113.70 108.29 1wgo s SER 2 Ca 0.00 0.66 -0.19 0.00 0.70 0.00 0.00 55.95 57.12 1wgo s SER 2 Cb 0.00 1.42 0.13 0.00 -1.71 0.00 0.00 66.02 65.87 1wgo s SER 2 CO 0.00 -0.10 0.98 -0.44 1.20 0.00 0.00 173.24 174.88 1wgo s SER 3 N 2.01 -0.52 0.00 5.45 0.01 -1.26 -5.18 113.70 114.21 1wgo s SER 3 Ca -0.04 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1wgo s SER 3 Cb -0.04 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.29 1wgo s SER 3 CO -0.16 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1wgo n GLY 4 N 3.23 5.43 3.62 3.44 0.00 -1.26 -5.18 105.19 114.47 1wgo n GLY 4 Ca -0.17 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 1.00 -0.65 0.23 1.61 1.04 -1.26 -5.18 113.70 110.49 1wgo s SER 5 Ca 0.00 1.17 -0.19 0.00 0.48 0.00 0.00 55.95 57.41 1wgo s SER 5 Cb 0.00 1.15 0.03 0.00 0.10 0.00 0.00 66.02 67.30 1wgo s SER 5 CO 0.00 -0.27 0.60 -0.55 0.98 0.00 0.00 173.24 174.00 1wgo s SER 6 N 0.08 -0.29 -0.26 7.02 0.15 -1.26 -5.19 113.70 113.95 1wgo s SER 6 Ca -0.01 -0.50 -0.38 0.00 0.70 0.00 0.00 55.95 55.77 1wgo s SER 6 Cb -0.04 0.64 0.15 0.00 -1.71 0.00 0.00 66.02 65.06 1wgo s SER 6 CO 0.00 -1.16 1.33 -0.83 1.20 0.00 0.00 173.24 173.79 1wgo s GLY 7 N -2.89 -0.22 0.25 9.45 0.00 -1.26 -5.19 107.32 107.47 1wgo s GLY 7 Ca 0.10 1.84 0.01 0.00 0.00 0.00 0.00 44.72 46.67 1wgo s GLY 7 CO 0.00 0.61 0.12 0.00 0.00 0.00 0.00 173.10 173.84 1wgo n GLU 9 N -0.43 0.64 -0.54 0.00 4.71 -1.26 -5.10 120.64 118.66 1wgo n GLU 9 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1wgo n GLU 9 Cb 0.66 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 1wgo n GLU 9 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wgo n GLY 10 N 1.80 -0.95 0.00 0.62 0.00 -1.26 -5.14 105.19 100.26 1wgo n GLY 10 Ca -0.45 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.54 -1.70 3.23 -0.02 0.00 -1.26 -5.18 105.19 100.81 1wgo n GLY 11 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.58 0.06 0.49 1.61 -7.23 -1.26 -5.18 120.40 106.31 1wgo s VAL 12 Ca 0.00 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 1wgo s VAL 12 Cb 0.00 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.85 1wgo s VAL 12 CO 0.00 -0.28 0.67 -1.81 -0.31 0.00 0.00 175.10 173.37 1wgo s ASP 13 N -3.06 5.42 -0.89 4.85 1.11 -1.26 -5.02 116.67 117.83 1wgo s ASP 13 Ca 0.26 -0.48 -0.25 0.00 0.18 0.00 0.00 52.55 52.27 1wgo s ASP 13 Cb 0.06 -0.42 0.02 0.00 1.07 0.00 0.00 42.92 43.65 1wgo s ASP 13 CO 0.04 -0.99 1.52 -0.04 1.18 0.00 0.00 175.17 176.88 1wgo s MET 14 N -4.51 3.23 -0.07 8.23 -1.94 -1.26 -4.94 119.30 118.05 1wgo s MET 14 Ca 0.57 -0.60 -0.01 0.00 -1.71 0.00 0.00 55.69 53.94 1wgo s MET 14 Cb -0.09 -4.90 0.03 0.00 2.01 0.00 0.00 34.83 31.88 1wgo s MET 14 CO 0.36 -2.42 0.01 -0.65 -0.01 0.00 0.00 175.02 172.30 1wgo s GLN 15 N 5.69 0.55 -1.17 2.03 -0.21 -1.26 -5.08 119.66 120.21 1wgo s GLN 15 Ca 0.49 0.13 -0.13 0.00 0.02 0.00 0.00 55.36 55.86 1wgo s GLN 15 Cb -0.04 -0.93 0.18 0.00 1.00 0.00 0.00 33.01 33.22 1wgo s GLN 15 CO 0.01 -0.30 1.36 -1.14 -2.12 0.00 0.00 175.29 173.10 1wgo s GLN 16 N 1.97 4.07 0.19 2.91 0.74 -1.26 -5.01 119.66 123.27 1wgo s GLN 16 Ca 0.05 -2.61 -0.31 0.00 0.05 0.00 0.00 55.36 52.53 1wgo s GLN 16 Cb -0.12 -4.98 -0.11 0.00 1.10 0.00 0.00 33.01 28.90 1wgo s GLN 16 CO -0.05 -1.69 1.59 0.45 -0.55 0.00 0.00 175.29 175.04 1wgo s SER 17 N 2.68 6.54 -0.28 6.67 0.15 -1.26 -4.92 113.70 123.27 1wgo s SER 17 Ca 0.40 2.70 0.10 0.00 0.70 0.00 0.00 55.95 59.84 1wgo s SER 17 Cb -0.04 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.13 1wgo s SER 17 CO -0.02 -0.85 1.18 0.00 1.20 0.00 0.00 173.24 174.75 1wgo n GLN 18 N 3.70 3.20 -0.11 5.44 0.00 -1.26 -4.72 117.38 123.63 1wgo n GLN 18 Ca 0.13 -4.00 -0.16 0.00 0.00 0.00 0.00 57.00 52.97 1wgo n GLN 18 Cb 0.38 -2.12 -0.13 0.00 0.00 0.00 0.00 30.24 28.36 1wgo n GLN 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1wgo n VAL 19 N -0.71 1.47 -4.27 -0.39 0.31 -1.26 -4.98 118.33 108.50 1wgo n VAL 19 Ca 0.37 -0.66 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 1wgo n VAL 19 Cb 0.93 -1.13 -0.10 0.00 -0.91 0.00 0.00 33.84 32.62 1wgo n VAL 19 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1wgo s GLN 20 N -2.51 2.03 0.13 5.55 -0.21 -1.26 -5.12 119.66 118.26 1wgo s GLN 20 Ca -0.26 -1.06 -0.20 0.00 0.02 0.00 0.00 55.36 53.85 1wgo s GLN 20 Cb 0.08 -2.25 -0.07 0.00 1.00 0.00 0.00 33.01 31.77 1wgo s GLN 20 CO 0.68 0.50 0.64 -0.48 -2.12 0.00 0.00 175.29 174.51 1wgo s LEU 21 N -2.14 4.49 0.10 2.90 0.05 -1.26 -5.04 118.68 117.79 1wgo s LEU 21 Ca 0.20 1.36 -0.30 0.00 0.05 0.00 0.00 54.13 55.43 1wgo s LEU 21 Cb -0.11 -3.15 -0.07 0.00 -2.05 0.00 0.00 46.19 40.82 1wgo s LEU 21 CO 0.12 0.20 1.21 0.00 -0.55 0.00 0.00 176.35 177.33 1wgo s GLN 22 N -1.37 4.45 -0.12 1.48 1.03 -1.26 -5.03 119.66 118.84 1wgo s GLN 22 Ca 0.34 1.82 -0.04 0.00 0.04 0.00 0.00 55.36 57.52 1wgo s GLN 22 Cb -0.19 -3.31 -0.03 0.00 0.03 0.00 0.00 33.01 29.51 1wgo s GLN 22 CO 0.21 -0.21 0.00 0.00 -2.54 0.00 0.00 175.29 172.76 1wgo n PRO 24 N 2.79 0.42 -4.27 0.00 -0.04 -1.26 -4.72 135.00 127.92 1wgo n PRO 24 Ca -0.18 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.05 1wgo n PRO 24 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1wgo n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wgo s LEU 25 N -2.14 3.07 0.10 1.53 1.02 -1.26 -5.14 118.68 115.86 1wgo s LEU 25 Ca 0.21 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.86 1wgo s LEU 25 Cb 0.11 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1wgo s LEU 25 CO 0.19 0.09 0.04 0.42 0.02 0.00 0.00 176.35 177.12 1wgo s THR 26 N -1.77 4.23 0.54 5.49 -4.23 -1.26 -4.85 115.64 113.79 1wgo s THR 26 Ca 0.26 -0.96 -0.20 0.00 -1.18 0.00 0.00 61.69 59.61 1wgo s THR 26 Cb -0.09 -3.05 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 1wgo s THR 26 CO 0.16 0.07 1.13 -2.16 -0.54 0.00 0.00 174.62 173.28 1wgo s PRO 27 N -2.50 3.37 0.15 3.99 0.04 -1.26 -4.56 135.00 134.23 1wgo s PRO 27 Ca 0.28 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 1wgo s PRO 27 Cb -0.11 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1wgo s PRO 27 CO 0.20 -0.84 1.33 -1.25 0.04 0.00 0.00 177.00 176.48 1wgo s PRO 28 N -3.27 4.37 0.01 0.56 0.04 -1.26 -4.93 135.00 130.52 1wgo s PRO 28 Ca 0.73 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.72 1wgo s PRO 28 Cb -0.24 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1wgo s PRO 28 CO 0.27 -0.32 0.17 0.50 0.04 0.00 0.00 177.00 177.66 1wgo s ARG 29 N 0.46 0.57 -1.81 4.56 3.52 -1.26 -4.80 118.95 120.18 1wgo s ARG 29 Ca 0.60 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 1wgo s ARG 29 Cb -0.36 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 1wgo s ARG 29 CO 0.34 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 1wgo n GLY 30 N 1.16 0.19 3.64 8.12 0.00 -1.26 -3.41 105.19 113.63 1wgo n GLY 30 Ca -0.21 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -5.40 3.99 -0.12 0.99 1.98 -1.26 -4.03 118.68 114.84 1wgo s LEU 31 Ca 0.00 1.10 -0.22 0.00 -2.89 0.00 0.00 54.13 52.12 1wgo s LEU 31 Cb 0.00 -3.50 0.05 0.00 0.66 0.00 0.00 46.19 43.41 1wgo s LEU 31 CO 0.00 -0.80 0.54 -1.58 -1.89 0.00 0.00 176.35 172.62 1wgo s GLN 32 N 3.47 0.78 0.22 1.98 -0.44 -1.25 -4.65 119.66 119.77 1wgo s GLN 32 Ca 0.44 0.40 0.03 0.00 -2.50 0.00 0.00 55.36 53.73 1wgo s GLN 32 Cb -0.13 0.37 -0.03 0.00 -1.64 0.00 0.00 33.01 31.58 1wgo s GLN 32 CO 0.13 -0.18 0.35 0.14 0.50 0.00 0.00 175.29 176.23 1wgo s VAL 33 N -0.53 5.26 0.21 1.34 -7.23 -1.26 -3.92 120.40 114.26 1wgo s VAL 33 Ca -0.06 -0.79 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 1wgo s VAL 33 Cb -0.03 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1wgo s VAL 33 CO 0.04 -0.26 0.37 -0.55 -0.31 0.00 0.00 175.10 174.40 1wgo s SER 34 N -3.67 -0.03 -0.18 4.85 0.15 -0.37 -4.98 113.70 109.47 1wgo s SER 34 Ca 0.35 -0.91 -0.03 0.00 0.70 0.00 0.00 55.95 56.05 1wgo s SER 34 Cb -0.10 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1wgo s SER 34 CO 0.29 -1.01 -0.04 -0.63 1.20 0.00 0.00 173.24 173.05 1wgo s ILE 35 N -4.00 3.62 -0.77 6.45 1.01 -1.26 0.15 121.20 126.39 1wgo s ILE 35 Ca 0.21 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 1wgo s ILE 35 Cb 0.02 -2.61 -0.17 0.00 0.01 0.00 0.00 42.46 39.71 1wgo s ILE 35 CO 0.05 0.46 2.04 1.67 0.00 0.00 0.00 174.94 179.16 1wgo n GLN 36 N 4.09 0.00 0.00 2.79 -0.06 -1.05 -4.08 117.38 119.06 1wgo n GLN 36 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1wgo n GLN 36 Cb 0.52 -1.13 0.00 0.00 -4.06 0.00 0.00 30.24 25.57 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 4.94 -2.67 3.58 1.69 0.00 -1.26 -4.82 105.19 106.64 1wgo n GLY 37 Ca 0.51 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.28 1.71 -4.19 1.61 2.13 -1.26 -4.95 120.64 115.41 1wgo n GLU 38 Ca 0.00 0.41 -0.26 0.00 0.66 0.00 0.00 57.16 57.97 1wgo n GLU 38 Cb 0.00 -3.24 -0.07 0.00 0.27 0.00 0.00 31.44 28.40 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 9.12 3.28 -0.04 4.31 0.00 -1.26 -5.07 121.76 132.09 1wgo s ALA 39 Ca 1.01 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1wgo s ALA 39 Cb -0.33 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1wgo s ALA 39 CO 0.34 0.44 -0.11 0.28 0.00 0.00 0.00 175.76 176.70 1wgo n VAL 40 N -0.35 0.65 -3.81 0.00 0.31 -1.26 -5.04 118.33 108.84 1wgo n VAL 40 Ca -0.09 0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 64.34 1wgo n VAL 40 Cb 0.56 -1.70 -0.17 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.67 0.36 0.22 3.52 0.00 -1.26 -4.47 121.76 117.46 1wgo s ALA 41 Ca -0.09 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1wgo s ALA 41 Cb 0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1wgo s ALA 41 CO 0.14 -0.28 0.30 0.08 0.00 0.00 0.00 175.76 175.99 1wgo s VAL 42 N 1.57 5.06 0.32 0.00 1.01 -0.27 -4.80 120.40 123.29 1wgo s VAL 42 Ca -0.02 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1wgo s VAL 42 Cb -0.13 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1wgo s VAL 42 CO -0.03 -0.27 0.71 -0.13 0.00 0.00 0.00 175.10 175.38 1wgo s ARG 43 N -3.73 3.94 -0.64 2.72 3.00 -1.26 -0.45 118.95 122.53 1wgo s ARG 43 Ca 0.34 0.57 -0.26 0.00 0.00 0.00 0.00 55.73 56.38 1wgo s ARG 43 Cb -0.09 -2.46 -0.02 0.00 0.00 0.00 0.00 34.95 32.37 1wgo s ARG 43 CO 0.28 0.16 1.87 -1.25 0.00 0.00 0.00 175.30 176.36 1wgo s PRO 44 N -3.07 2.62 0.00 3.54 0.04 -1.25 -2.79 135.00 134.08 1wgo s PRO 44 Ca 0.53 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1wgo s PRO 44 Cb -0.10 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.99 1wgo s PRO 44 CO 0.20 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1wgo n GLY 45 N 5.80 0.98 3.63 0.56 0.00 -1.07 -4.82 105.19 110.28 1wgo n GLY 45 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 2.70 -0.35 1.61 0.41 -1.12 -4.85 118.70 117.09 1wgo s GLU 46 Ca 0.00 -0.63 -0.29 0.00 -0.41 0.00 0.00 54.97 53.64 1wgo s GLU 46 Cb 0.00 -2.59 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 1wgo s GLU 46 CO 0.00 0.63 1.31 0.34 -0.49 0.00 0.00 175.26 177.05 1wgo s ASP 47 N -1.29 6.58 -0.08 -0.19 2.15 -1.26 -3.95 116.67 118.63 1wgo s ASP 47 Ca 0.16 1.01 -0.10 0.00 0.43 0.00 0.00 52.55 54.06 1wgo s ASP 47 Cb -0.11 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.92 1wgo s ASP 47 CO 0.07 -1.20 0.23 0.54 -0.17 0.00 0.00 175.17 174.64 1wgo s VAL 48 N 4.68 5.34 -0.04 1.11 0.11 0.16 -4.90 120.40 126.86 1wgo s VAL 48 Ca 0.56 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.05 1wgo s VAL 48 Cb -0.15 -3.51 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1wgo s VAL 48 CO 0.27 0.60 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.86 1wgo s LEU 49 N -0.98 3.48 -0.26 2.54 2.01 -1.26 -2.53 118.68 121.69 1wgo s LEU 49 Ca 0.18 0.04 0.03 0.00 0.01 0.00 0.00 54.13 54.38 1wgo s LEU 49 Cb -0.14 -1.90 0.06 0.00 0.01 0.00 0.00 46.19 44.22 1wgo s LEU 49 CO 0.07 0.32 -0.10 -0.36 1.01 0.00 0.00 176.35 177.29 1wgo s PHE 50 N -0.98 3.29 -0.02 0.29 0.40 -1.12 -2.54 117.98 117.30 1wgo s PHE 50 Ca 0.16 -2.34 -0.24 0.00 -0.60 0.00 0.00 56.93 53.91 1wgo s PHE 50 Cb -0.11 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1wgo s PHE 50 CO 0.06 -0.88 0.72 0.08 0.70 0.00 0.00 175.22 175.91 1wgo s VAL 51 N 1.10 4.92 -0.06 -0.44 1.01 0.39 -2.85 120.40 124.46 1wgo s VAL 51 Ca -0.08 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.42 1wgo s VAL 51 Cb -0.20 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1wgo s VAL 51 CO -0.05 0.31 -0.07 0.54 0.00 0.00 0.00 175.10 175.82 1wgo s VAL 52 N 0.40 3.66 -0.26 2.92 0.11 -1.26 -1.23 120.40 124.74 1wgo s VAL 52 Ca 0.38 -0.53 -0.17 0.00 -2.93 0.00 0.00 61.98 58.72 1wgo s VAL 52 Cb -0.19 -2.51 0.07 0.00 -1.53 0.00 0.00 36.38 32.23 1wgo s VAL 52 CO 0.20 0.57 0.65 -0.60 -3.33 0.00 0.00 175.10 172.60 1wgo s ARG 53 N -0.89 0.70 0.04 1.54 3.52 -1.25 -4.77 118.95 117.83 1wgo s ARG 53 Ca 0.13 1.10 0.07 0.00 -0.13 0.00 0.00 55.73 56.89 1wgo s ARG 53 Cb -0.11 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.45 1wgo s ARG 53 CO 0.02 -0.13 -0.19 -1.14 -0.81 0.00 0.00 175.30 173.05 1wgo s GLN 54 N 1.25 1.27 0.09 5.12 0.74 -1.26 -3.93 119.66 122.93 1wgo s GLN 54 Ca -0.07 -0.89 -0.20 0.00 0.05 0.00 0.00 55.36 54.25 1wgo s GLN 54 Cb -0.05 -1.36 -0.09 0.00 1.10 0.00 0.00 33.01 32.61 1wgo s GLN 54 CO -0.13 0.34 1.60 0.93 -0.55 0.00 0.00 175.29 177.48 1wgo h GLU 55 N 4.89 0.31 0.00 1.67 5.08 -1.69 -3.31 114.58 121.53 1wgo h GLU 55 Ca -0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wgo h GLU 55 Cb 1.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wgo h GLU 55 CO 0.44 0.41 -0.03 1.04 -1.00 0.00 0.00 179.01 179.86 1wgo n GLN 56 N -4.80 1.91 -0.33 2.33 1.13 -1.26 -4.65 117.38 111.71 1wgo n GLN 56 Ca -0.04 -1.73 0.10 0.00 -1.94 0.00 0.00 57.00 53.39 1wgo n GLN 56 Cb 0.15 -1.08 0.28 0.00 0.11 0.00 0.00 30.24 29.70 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 -0.73 2.56 0.07 1.08 0.00 -1.25 -4.14 105.19 102.79 1wgo n GLY 57 Ca 0.05 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 1.38 0.51 -0.07 1.61 2.03 -1.25 -4.34 116.55 116.42 1wgo n ASP 58 Ca 0.21 0.20 -0.18 0.00 0.52 0.00 0.00 54.79 55.55 1wgo n ASP 58 Cb 0.58 1.04 -0.13 0.00 -0.72 0.00 0.00 41.12 41.89 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wgo n VAL 59 N -2.52 1.59 -2.44 5.18 3.14 -1.26 -4.70 118.33 117.32 1wgo n VAL 59 Ca -0.02 -0.64 -0.23 0.00 -2.96 0.00 0.00 64.34 60.48 1wgo n VAL 59 Cb 0.57 -1.42 0.05 0.00 -1.06 0.00 0.00 33.84 31.99 1wgo n VAL 59 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1wgo s LEU 60 N -6.58 3.06 -0.30 6.55 0.05 -1.26 -5.08 118.68 115.13 1wgo s LEU 60 Ca -0.27 0.20 -0.07 0.00 0.05 0.00 0.00 54.13 54.04 1wgo s LEU 60 Cb 0.08 -2.96 0.01 0.00 -2.05 0.00 0.00 46.19 41.26 1wgo s LEU 60 CO 0.69 -1.36 0.09 0.28 -0.55 0.00 0.00 176.35 175.49 1wgo s THR 61 N -2.99 4.02 0.00 5.48 -1.32 -1.26 -4.88 115.64 114.68 1wgo s THR 61 Ca 0.59 -0.67 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1wgo s THR 61 Cb -0.10 -3.07 -0.01 0.00 -1.51 0.00 0.00 72.50 67.81 1wgo s THR 61 CO 0.41 0.08 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.91 1wgo s THR 62 N 1.51 0.84 0.00 5.08 2.01 -1.26 -4.97 115.64 118.85 1wgo s THR 62 Ca 0.03 -0.55 -0.24 0.00 0.31 0.00 0.00 61.69 61.23 1wgo s THR 62 Cb -0.17 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1wgo s THR 62 CO 0.03 0.17 0.74 -0.54 -0.69 0.00 0.00 174.62 174.33 1wgo s LYS 63 N -0.43 4.47 -0.04 4.92 1.02 -1.26 -3.45 119.74 124.97 1wgo s LYS 63 Ca 0.03 1.00 0.06 0.00 0.02 0.00 0.00 55.97 57.08 1wgo s LYS 63 Cb -0.05 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1wgo s LYS 63 CO -0.00 0.20 -0.22 0.71 -0.92 0.00 0.00 175.35 175.12 1wgo s TYR 64 N 0.26 2.11 -0.32 3.18 2.02 0.35 -3.66 117.35 121.29 1wgo s TYR 64 Ca 0.38 -0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 56.46 1wgo s TYR 64 Cb -0.19 -1.38 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1wgo s TYR 64 CO 0.21 -0.12 0.17 -1.14 -1.57 0.00 0.00 175.55 173.10 1wgo s GLN 65 N -0.30 3.32 -0.64 -0.62 0.74 0.79 -0.72 119.66 122.23 1wgo s GLN 65 Ca 0.02 -0.74 -0.22 0.00 0.05 0.00 0.00 55.36 54.48 1wgo s GLN 65 Cb -0.11 -3.61 0.07 0.00 1.10 0.00 0.00 33.01 30.47 1wgo s GLN 65 CO 0.01 -0.44 0.91 0.08 -0.55 0.00 0.00 175.29 175.30 1wgo s VAL 66 N 1.62 4.42 -0.38 1.34 1.01 -0.89 -2.85 120.40 124.67 1wgo s VAL 66 Ca 0.05 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1wgo s VAL 66 Cb -0.17 -4.64 0.04 0.00 0.00 0.00 0.00 36.38 31.61 1wgo s VAL 66 CO 0.07 -1.37 0.21 -0.62 0.00 0.00 0.00 175.10 173.39 1wgo s ASP 67 N 3.60 5.69 0.01 3.32 2.15 -0.97 -2.76 116.67 127.72 1wgo s ASP 67 Ca 0.21 -1.11 -0.20 0.00 0.43 0.00 0.00 52.55 51.87 1wgo s ASP 67 Cb -0.18 -2.01 -0.20 0.00 -0.30 0.00 0.00 42.92 40.23 1wgo s ASP 67 CO 0.10 -0.41 1.16 -0.07 -0.17 0.00 0.00 175.17 175.78 1wgo h LEU 68 N 8.42 0.45 0.00 -1.34 -0.00 -1.67 -2.03 115.31 119.14 1wgo h LEU 68 Ca -0.25 -0.68 0.00 0.00 -0.00 0.00 0.00 57.88 56.95 1wgo h LEU 68 Cb 1.10 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1wgo h LEU 68 CO 0.68 1.06 0.00 0.61 -0.00 0.00 0.00 178.44 180.80 1wgo n GLY 69 N 0.80 3.13 0.28 0.83 0.00 -1.26 -3.89 105.19 105.09 1wgo n GLY 69 Ca -0.09 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.47 0.00 0.00 1.61 3.58 -1.93 -3.44 116.42 116.70 1wgo h ASP 70 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wgo h ASP 70 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1wgo h ASP 70 CO 0.00 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 1wgo n GLY 71 N -1.25 0.38 3.65 -0.78 0.00 -1.26 -5.12 105.19 100.81 1wgo n GLY 71 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.33 -0.03 1.61 5.36 -1.26 -5.02 117.98 121.97 1wgo s PHE 72 Ca 0.00 1.17 -0.01 0.00 -0.96 0.00 0.00 56.93 57.14 1wgo s PHE 72 Cb 0.00 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.65 1wgo s PHE 72 CO 0.00 -0.37 0.05 0.15 -1.46 0.00 0.00 175.22 173.59 1wgo s LYS 73 N 2.72 0.00 0.25 10.12 1.02 -1.26 -1.97 119.74 130.62 1wgo s LYS 73 Ca 0.36 0.19 -0.10 0.00 0.02 0.00 0.00 55.97 56.44 1wgo s LYS 73 Cb -0.15 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.97 1wgo s LYS 73 CO 0.08 -0.13 0.43 0.00 -0.92 0.00 0.00 175.35 174.81 1wgo s ALA 74 N 0.85 0.05 -0.18 5.17 0.00 -1.11 -5.06 121.76 121.48 1wgo s ALA 74 Ca -0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1wgo s ALA 74 Cb -0.10 1.12 -0.00 0.00 0.00 0.00 0.00 23.12 24.14 1wgo s ALA 74 CO -0.03 -0.81 -0.12 1.41 0.00 0.00 0.00 175.76 176.21 1wgo s MET 75 N -3.94 3.24 -0.15 0.00 1.75 -1.26 -2.09 119.30 116.85 1wgo s MET 75 Ca 0.26 -0.72 -0.00 0.00 -1.25 0.00 0.00 55.69 53.98 1wgo s MET 75 Cb 0.00 -2.74 -0.01 0.00 2.84 0.00 0.00 34.83 34.92 1wgo s MET 75 CO 0.10 -0.08 -0.13 0.71 -0.65 0.00 0.00 175.02 174.97 1wgo s TYR 76 N 1.09 2.81 0.03 4.11 1.51 0.10 -4.99 117.35 122.01 1wgo s TYR 76 Ca 0.00 -0.79 0.07 0.00 -1.01 0.00 0.00 57.07 55.34 1wgo s TYR 76 Cb -0.14 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1wgo s TYR 76 CO -0.03 -0.32 -0.20 0.54 -1.11 0.00 0.00 175.55 174.42 1wgo s VAL 77 N 0.59 2.61 -1.34 0.71 0.11 -1.26 -0.50 120.40 121.33 1wgo s VAL 77 Ca -0.08 -1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 57.73 1wgo s VAL 77 Cb -0.16 -2.06 0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1wgo s VAL 77 CO 0.03 0.39 0.41 0.59 -3.33 0.00 0.00 175.10 173.18 1wgo n ASN 78 N 1.74 -4.54 -0.08 3.54 3.02 -1.22 -4.86 115.26 112.86 1wgo n ASN 78 Ca -0.16 -0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.07 1wgo n ASN 78 Cb 0.52 -3.74 -0.02 0.00 -0.61 0.00 0.00 39.78 35.93 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 -0.86 0.28 -1.92 3.41 5.85 -1.83 -0.79 115.31 119.45 1wgo h LEU 79 Ca -0.43 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1wgo h LEU 79 Cb 1.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1wgo h LEU 79 CO 0.51 0.20 0.00 0.71 -0.34 0.00 0.00 178.44 179.52 1wgo h THR 80 N 0.35 0.00 0.00 1.05 1.35 -1.86 0.63 112.91 114.42 1wgo h THR 80 Ca 0.11 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.83 1wgo h THR 80 Cb -0.01 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1wgo h THR 80 CO -0.04 0.00 -0.38 0.25 -0.25 0.00 0.00 175.52 175.10 1wgo h LEU 81 N 0.00 0.00 -1.62 3.87 6.46 -1.47 -3.36 115.31 119.19 1wgo h LEU 81 Ca 0.00 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 1wgo h LEU 81 Cb 0.12 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1wgo h LEU 81 CO 0.00 0.82 -0.21 0.71 -0.62 0.00 0.00 178.44 179.15 1wgo h THR 82 N -1.00 1.06 0.00 1.05 1.35 -1.10 -3.46 112.91 110.81 1wgo h THR 82 Ca -0.06 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1wgo h THR 82 Cb 0.54 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1wgo h THR 82 CO -0.03 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1wgo n GLY 83 N -0.86 1.64 3.52 5.82 0.00 0.20 -4.96 105.19 110.56 1wgo n GLY 83 Ca -0.02 -0.03 -0.62 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.62 1.61 -0.58 -1.26 -4.86 120.64 114.92 1wgo n GLU 84 Ca 0.00 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 1wgo n GLU 84 Cb 0.00 -1.46 0.15 0.00 -0.57 0.00 0.00 31.44 29.56 1wgo n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wgo n PRO 85 N 2.57 -2.28 -3.81 3.49 -0.04 -1.26 -4.95 135.00 128.71 1wgo n PRO 85 Ca 0.24 -1.04 -0.36 0.00 -0.04 0.00 0.00 63.50 62.31 1wgo n PRO 85 Cb 0.02 -0.97 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1wgo n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wgo s ILE 86 N -2.18 3.21 0.24 0.52 1.01 -1.13 -4.95 121.20 117.92 1wgo s ILE 86 Ca 0.42 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 1wgo s ILE 86 Cb -0.04 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1wgo s ILE 86 CO 0.32 -0.52 1.10 -0.60 0.00 0.00 0.00 174.94 175.24 1wgo s ARG 87 N 1.18 4.63 -0.02 2.79 3.52 -1.26 -2.81 118.95 126.97 1wgo s ARG 87 Ca 0.05 1.76 -0.28 0.00 -0.13 0.00 0.00 55.73 57.13 1wgo s ARG 87 Cb -0.22 -3.22 0.10 0.00 -1.56 0.00 0.00 34.95 30.04 1wgo s ARG 87 CO -0.03 0.17 0.82 -1.58 -0.81 0.00 0.00 175.30 173.87 1wgo s HIS 88 N -0.81 -0.44 0.04 5.12 2.46 -1.05 -5.02 115.29 115.58 1wgo s HIS 88 Ca 0.46 0.49 -0.05 0.00 0.47 0.00 0.00 55.06 56.44 1wgo s HIS 88 Cb -0.31 0.50 -0.01 0.00 -0.13 0.00 0.00 32.58 32.63 1wgo s HIS 88 CO 0.38 -0.56 0.07 0.50 -2.47 0.00 0.00 174.74 172.66 1wgo s ARG 89 N -2.44 0.56 0.18 2.88 3.52 -1.26 0.38 118.95 122.77 1wgo s ARG 89 Ca -0.00 -0.76 0.09 0.00 -0.13 0.00 0.00 55.73 54.92 1wgo s ARG 89 Cb -0.01 0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.56 1wgo s ARG 89 CO -0.04 -0.13 -0.09 0.71 -0.81 0.00 0.00 175.30 174.94 1wgo s TYR 90 N -2.55 2.66 -0.24 5.12 2.02 -1.25 -5.01 117.35 118.10 1wgo s TYR 90 Ca -0.05 -0.21 -0.18 0.00 -0.37 0.00 0.00 57.07 56.25 1wgo s TYR 90 Cb -0.02 -1.30 -0.16 0.00 -0.40 0.00 0.00 41.96 40.09 1wgo s TYR 90 CO -0.04 0.51 -0.05 -1.91 -1.57 0.00 0.00 175.55 172.48 1wgo n GLU 91 N 0.03 0.57 -4.43 -0.62 4.07 -1.26 -2.58 120.64 116.42 1wgo n GLU 91 Ca -0.11 0.43 -0.26 0.00 -0.06 0.00 0.00 57.16 57.17 1wgo n GLU 91 Cb 0.55 -1.63 -0.11 0.00 -0.06 0.00 0.00 31.44 30.20 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1wgo s SER 92 N -7.11 3.57 0.98 4.31 1.04 -1.26 -4.41 113.70 110.81 1wgo s SER 92 Ca -0.33 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 1wgo s SER 92 Cb 0.10 -0.31 0.18 0.00 0.10 0.00 0.00 66.02 66.08 1wgo s SER 92 CO 0.54 0.09 1.09 -2.16 0.98 0.00 0.00 173.24 173.78 1wgo s PRO 93 N -3.01 0.60 0.00 4.02 0.04 -1.26 -4.87 135.00 130.52 1wgo s PRO 93 Ca 0.25 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1wgo s PRO 93 Cb -0.07 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1wgo s PRO 93 CO 0.12 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 174.94 1wgo n GLY 94 N -1.10 4.07 3.68 0.56 0.00 -0.31 -5.03 105.19 107.06 1wgo n GLY 94 Ca 0.06 -1.11 -0.47 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.08 0.52 -3.99 -0.61 5.41 -1.26 -4.40 119.36 114.94 1wgo n ILE 95 Ca 0.00 -0.09 -0.22 0.00 1.00 0.00 0.00 62.75 63.44 1wgo n ILE 95 Cb 0.00 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.02 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 3.66 3.39 -0.36 1.39 2.02 -0.81 -4.94 117.35 121.69 1wgo s TYR 96 Ca 0.90 -0.02 -0.05 0.00 -0.37 0.00 0.00 57.07 57.53 1wgo s TYR 96 Cb -0.66 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 39.42 1wgo s TYR 96 CO 0.48 0.46 0.13 1.03 -1.57 0.00 0.00 175.55 176.09 1wgo s ARG 97 N -3.86 2.37 -0.07 -0.62 0.52 -1.26 -2.33 118.95 113.71 1wgo s ARG 97 Ca 0.34 -1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 54.06 1wgo s ARG 97 Cb -0.09 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1wgo s ARG 97 CO 0.28 -0.83 0.11 0.08 0.02 0.00 0.00 175.30 174.96 1wgo s VAL 98 N 1.28 5.11 0.10 3.52 1.01 -0.24 -4.07 120.40 127.12 1wgo s VAL 98 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1wgo s VAL 98 Cb -0.21 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1wgo s VAL 98 CO -0.01 0.51 0.03 -0.55 0.00 0.00 0.00 175.10 175.09 1wgo s SER 99 N -1.30 0.36 -0.18 3.32 0.15 -0.76 -0.21 113.70 115.09 1wgo s SER 99 Ca 0.18 -1.12 -0.04 0.00 0.70 0.00 0.00 55.95 55.67 1wgo s SER 99 Cb -0.12 0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.53 1wgo s SER 99 CO 0.08 -0.69 0.14 0.54 1.20 0.00 0.00 173.24 174.52 1wgo s VAL 100 N -4.00 -0.19 -0.10 4.45 0.11 -0.22 -2.28 120.40 118.18 1wgo s VAL 100 Ca 0.18 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1wgo s VAL 100 Cb 0.07 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1wgo s VAL 100 CO -0.03 -0.22 0.14 -0.60 -3.33 0.00 0.00 175.10 171.06 1wgo s ARG 101 N 2.22 3.40 -0.07 1.54 3.00 -1.13 -1.44 118.95 126.47 1wgo s ARG 101 Ca 0.04 -0.18 -0.04 0.00 -1.00 0.00 0.00 55.73 54.55 1wgo s ARG 101 Cb -0.16 -3.14 0.04 0.00 0.00 0.00 0.00 34.95 31.69 1wgo s ARG 101 CO -0.10 0.76 0.17 0.00 0.00 0.00 0.00 175.30 176.13 1wgo s ALA 102 N -1.07 -0.35 -0.23 6.12 0.00 0.18 -0.14 121.76 126.26 1wgo s ALA 102 Ca 0.17 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1wgo s ALA 102 Cb -0.12 -0.46 0.09 0.00 0.00 0.00 0.00 23.12 22.63 1wgo s ALA 102 CO 0.06 -0.15 0.15 -2.00 0.00 0.00 0.00 175.76 173.82 1wgo s GLU 103 N 1.01 0.16 0.13 0.00 2.12 -1.24 -0.75 118.70 120.14 1wgo s GLU 103 Ca -0.08 -0.20 0.09 0.00 0.36 0.00 0.00 54.97 55.14 1wgo s GLU 103 Cb -0.10 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 1wgo s GLU 103 CO -0.05 -0.84 -0.14 0.54 -0.54 0.00 0.00 175.26 174.23 1wgo s ASN 104 N 2.18 4.09 0.26 -1.70 2.20 0.79 -4.68 114.94 118.07 1wgo s ASN 104 Ca 0.06 -0.54 0.07 0.00 -0.94 0.00 0.00 52.86 51.51 1wgo s ASN 104 Cb -0.16 -0.65 0.76 0.00 -2.00 0.00 0.00 41.25 39.21 1wgo s ASN 104 CO -0.22 0.15 1.21 1.07 -2.94 0.00 0.00 177.10 176.37 1wgo n THR 105 N 0.54 -0.32 0.00 0.54 5.66 -1.26 -1.24 114.28 118.19 1wgo n THR 105 Ca -0.14 1.65 0.00 0.00 -3.05 0.00 0.00 64.05 62.51 1wgo n THR 105 Cb 0.53 -2.51 0.00 0.00 -1.55 0.00 0.00 70.33 66.81 1wgo n THR 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wgo n ALA 106 N -2.95 -0.34 -3.00 1.79 0.00 -1.26 -5.00 120.51 109.75 1wgo n ALA 106 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1wgo n ALA 106 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.53 3.86 2.89 0.00 0.00 -0.38 -4.80 105.19 106.23 1wgo n GLY 107 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.90 -0.01 0.10 1.61 -3.43 -1.26 -0.15 115.29 109.26 1wgo s HIS 108 Ca 0.00 0.02 -0.04 0.00 -0.80 0.00 0.00 55.06 54.24 1wgo s HIS 108 Cb 0.00 0.00 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 1wgo s HIS 108 CO 0.00 -0.01 0.11 0.34 -2.00 0.00 0.00 174.74 173.17 1wgo s ASP 109 N -0.02 0.27 -0.00 7.38 -1.08 0.07 -4.85 116.67 118.43 1wgo s ASP 109 Ca -0.00 -0.95 -0.22 0.00 -0.52 0.00 0.00 52.55 50.86 1wgo s ASP 109 Cb -0.00 0.30 0.05 0.00 -1.46 0.00 0.00 42.92 41.81 1wgo s ASP 109 CO 0.00 -0.72 0.50 -0.70 0.52 0.00 0.00 175.17 174.76 1wgo s GLU 110 N -3.95 0.92 0.21 4.34 -6.30 -1.26 -0.65 118.70 112.02 1wgo s GLU 110 Ca 0.13 -0.08 -0.03 0.00 -2.50 0.00 0.00 54.97 52.49 1wgo s GLU 110 Cb 0.06 0.42 -0.03 0.00 0.00 0.00 0.00 34.13 34.58 1wgo s GLU 110 CO -0.05 -0.30 0.20 0.00 0.02 0.00 0.00 175.26 175.13 1wgo s ALA 111 N -1.72 0.92 0.03 6.30 0.00 -0.52 -4.99 121.76 121.79 1wgo s ALA 111 Ca -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.28 1wgo s ALA 111 Cb -0.02 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 24.42 1wgo s ALA 111 CO 0.04 -0.64 0.04 0.08 0.00 0.00 0.00 175.76 175.28 1wgo s VAL 112 N -4.10 0.14 -0.19 0.00 1.01 -1.26 -1.05 120.40 114.94 1wgo s VAL 112 Ca 0.36 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1wgo s VAL 112 Cb 0.05 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.66 1wgo s VAL 112 CO 0.12 -0.64 0.48 -0.22 0.00 0.00 0.00 175.10 174.84 1wgo s LEU 113 N -2.07 -0.15 -0.19 3.92 0.20 0.71 -4.87 118.68 116.22 1wgo s LEU 113 Ca -0.06 1.02 -0.10 0.00 0.69 0.00 0.00 54.13 55.69 1wgo s LEU 113 Cb -0.02 1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 47.31 1wgo s LEU 113 CO -0.04 -0.19 0.13 -0.36 -0.29 0.00 0.00 176.35 175.59 1wgo s PHE 114 N 1.07 3.43 -0.33 5.38 0.40 -1.26 -1.08 117.98 125.59 1wgo s PHE 114 Ca -0.07 0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 56.52 1wgo s PHE 114 Cb -0.06 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1wgo s PHE 114 CO -0.10 0.34 0.14 0.08 0.70 0.00 0.00 175.22 176.38 1wgo s VAL 115 N 0.21 4.31 -0.44 -0.44 1.01 -0.98 -4.98 120.40 119.10 1wgo s VAL 115 Ca 0.09 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 1wgo s VAL 115 Cb -0.11 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1wgo s VAL 115 CO -0.01 -0.04 0.89 -1.58 0.00 0.00 0.00 175.10 174.35 1wgo s GLN 116 N 1.54 3.57 -0.29 2.72 -0.44 -1.26 -1.92 119.66 123.58 1wgo s GLN 116 Ca 0.03 0.18 0.03 0.00 -2.50 0.00 0.00 55.36 53.10 1wgo s GLN 116 Cb -0.18 -3.90 0.07 0.00 -1.64 0.00 0.00 33.01 27.36 1wgo s GLN 116 CO 0.05 -1.13 -0.06 0.54 0.50 0.00 0.00 175.29 175.19 1wgo s VAL 117 N 3.57 2.19 -0.11 1.34 0.11 -1.26 -1.12 120.40 125.13 1wgo s VAL 117 Ca 0.35 -1.86 -0.06 0.00 -2.93 0.00 0.00 61.98 57.48 1wgo s VAL 117 Cb -0.11 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 1wgo s VAL 117 CO 0.24 -0.21 0.14 -0.94 -3.33 0.00 0.00 175.10 170.99 1wgo s SER 118 N 1.04 6.33 0.73 3.54 1.04 0.40 -1.16 113.70 125.63 1wgo s SER 118 Ca -0.03 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1wgo s SER 118 Cb -0.20 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1wgo s SER 118 CO -0.06 0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1wgo n GLY 119 N 1.89 -2.65 3.77 7.32 0.00 -1.26 -3.94 105.19 110.31 1wgo n GLY 119 Ca -0.19 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.19 2.33 -0.13 1.61 0.04 -1.26 -4.89 135.00 130.51 1wgo s PRO 120 Ca 0.00 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 1wgo s PRO 120 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wgo s PRO 120 CO 0.00 -1.59 0.08 -1.12 0.04 0.00 0.00 177.00 174.40 1wgo s SER 121 N -3.28 5.81 -0.65 6.66 0.01 -1.26 -5.03 113.70 115.97 1wgo s SER 121 Ca 0.62 0.25 0.04 0.00 1.31 0.00 0.00 55.95 58.16 1wgo s SER 121 Cb -0.18 -1.86 0.34 0.00 0.21 0.00 0.00 66.02 64.54 1wgo s SER 121 CO 0.54 0.32 1.13 -1.54 0.41 0.00 0.00 173.24 174.10 1wgo n SER 122 N 2.57 5.04 0.00 2.44 3.41 -1.26 -5.34 113.62 120.48 1wgo n SER 122 Ca -0.18 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 1wgo n SER 122 Cb 0.54 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1wgo n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49