#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 -0.30 0.22 1.61 0.01 -1.26 -5.19 113.70 108.79 1wgo s SER 2 Ca 0.00 -0.37 -0.22 0.00 1.31 0.00 0.00 55.95 56.67 1wgo s SER 2 Cb 0.00 0.60 0.04 0.00 0.21 0.00 0.00 66.02 66.87 1wgo s SER 2 CO 0.00 -1.07 0.66 -0.55 0.41 0.00 0.00 173.24 172.69 1wgo s SER 3 N -2.85 -0.41 0.00 2.44 0.15 -1.26 -5.15 113.70 106.62 1wgo s SER 3 Ca 0.09 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wgo s SER 3 Cb -0.03 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1wgo s SER 3 CO 0.00 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.89 1wgo n GLY 4 N -0.42 3.44 2.71 9.45 0.00 -1.26 -5.13 105.19 113.98 1wgo n GLY 4 Ca -0.10 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.76 0.17 1.61 1.04 -1.26 -5.15 113.70 111.87 1wgo s SER 5 Ca 0.00 -0.45 0.09 0.00 0.48 0.00 0.00 55.95 56.07 1wgo s SER 5 Cb 0.00 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1wgo s SER 5 CO 0.00 -0.35 -0.19 -0.44 0.98 0.00 0.00 173.24 173.24 1wgo s SER 6 N 2.28 2.78 0.00 7.02 0.01 -1.26 -5.11 113.70 119.43 1wgo s SER 6 Ca 0.07 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1wgo s SER 6 Cb -0.16 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1wgo s SER 6 CO -0.16 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1wgo n GLY 7 N 0.25 -0.31 2.96 3.44 0.00 -1.26 -5.18 105.19 105.10 1wgo n GLY 7 Ca -0.13 0.73 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.43 0.95 0.00 0.00 2.12 -1.26 -5.09 118.70 114.99 1wgo s GLU 9 Ca -0.02 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1wgo s GLU 9 Cb -0.03 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1wgo s GLU 9 CO -0.00 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 1wgo n GLY 10 N 0.43 0.85 4.15 -1.50 0.00 -1.26 -4.99 105.19 102.88 1wgo n GLY 10 Ca -0.18 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 -0.30 3.01 -0.02 0.00 -1.26 -4.95 105.19 101.67 1wgo n GLY 11 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1wgo n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgo s VAL 12 N -4.10 1.02 -0.22 1.61 1.01 -1.26 -5.13 120.40 113.34 1wgo s VAL 12 Ca 0.10 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 1wgo s VAL 12 Cb -0.05 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.47 1wgo s VAL 12 CO 0.96 0.33 0.77 1.51 0.00 0.00 0.00 175.10 178.67 1wgo s ASP 13 N 0.61 -0.67 0.57 3.32 -4.77 -1.26 -5.15 116.67 109.32 1wgo s ASP 13 Ca -0.12 1.15 -0.18 0.00 -3.30 0.00 0.00 52.55 50.09 1wgo s ASP 13 Cb -0.15 1.11 -0.13 0.00 -1.09 0.00 0.00 42.92 42.67 1wgo s ASP 13 CO 0.03 -0.32 0.01 0.23 0.70 0.00 0.00 175.17 175.82 1wgo n MET 14 N 2.12 0.13 0.03 2.11 2.81 -1.26 -4.95 117.12 118.11 1wgo n MET 14 Ca -0.15 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1wgo n MET 14 Cb 0.56 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1wgo n MET 14 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wgo n GLN 15 N 1.09 0.00 -3.71 0.03 10.64 -1.26 -5.08 117.38 119.09 1wgo n GLN 15 Ca 0.08 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.12 1wgo n GLN 15 Cb 0.48 -0.46 -0.13 0.00 -0.86 0.00 0.00 30.24 29.26 1wgo n GLN 15 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1wgo s GLN 16 N -2.00 0.17 0.12 2.61 -1.52 -1.26 -5.16 119.66 112.62 1wgo s GLN 16 Ca 0.00 0.57 -0.14 0.00 -1.95 0.00 0.00 55.36 53.84 1wgo s GLN 16 Cb 0.00 -0.12 0.03 0.00 -0.22 0.00 0.00 33.01 32.70 1wgo s GLN 16 CO 0.00 -0.20 0.35 -1.12 -0.25 0.00 0.00 175.29 174.07 1wgo s SER 17 N 1.62 -0.15 -0.99 5.90 0.01 -1.26 -5.10 113.70 113.72 1wgo s SER 17 Ca -0.06 -0.40 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 1wgo s SER 17 Cb -0.11 0.44 0.25 0.00 0.21 0.00 0.00 66.02 66.81 1wgo s SER 17 CO -0.08 -0.83 0.95 -1.10 0.41 0.00 0.00 173.24 172.59 1wgo s GLN 18 N -3.82 3.83 0.24 12.44 -1.52 -1.26 -5.04 119.66 124.53 1wgo s GLN 18 Ca 0.04 -3.07 0.03 0.00 -1.95 0.00 0.00 55.36 50.40 1wgo s GLN 18 Cb 0.02 -4.37 -0.03 0.00 -0.22 0.00 0.00 33.01 28.41 1wgo s GLN 18 CO -0.12 -1.25 0.39 0.14 -0.25 0.00 0.00 175.29 174.20 1wgo s VAL 19 N -0.97 5.23 -0.04 1.09 -7.23 -1.26 -5.11 120.40 112.11 1wgo s VAL 19 Ca 0.27 -0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1wgo s VAL 19 Cb -0.10 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.06 1wgo s VAL 19 CO -0.09 -0.30 0.04 -1.10 -0.31 0.00 0.00 175.10 173.34 1wgo s GLN 20 N -3.78 0.03 -0.12 4.82 -0.21 -1.26 -5.13 119.66 114.00 1wgo s GLN 20 Ca 0.36 0.29 -0.06 0.00 0.02 0.00 0.00 55.36 55.97 1wgo s GLN 20 Cb -0.10 -0.50 0.05 0.00 1.00 0.00 0.00 33.01 33.46 1wgo s GLN 20 CO 0.30 -0.28 0.28 -0.51 -2.12 0.00 0.00 175.29 172.97 1wgo s LEU 21 N 1.84 0.17 0.21 2.90 1.43 -1.26 -5.16 118.68 118.81 1wgo s LEU 21 Ca 0.01 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 1wgo s LEU 21 Cb -0.12 0.86 -0.04 0.00 0.03 0.00 0.00 46.19 46.91 1wgo s LEU 21 CO -0.03 -0.18 -0.07 -1.10 0.23 0.00 0.00 176.35 175.20 1wgo s GLN 22 N 1.52 2.14 0.34 1.70 -1.52 -1.26 -5.13 119.66 117.45 1wgo s GLN 22 Ca -0.07 -1.32 -0.11 0.00 -1.95 0.00 0.00 55.36 51.90 1wgo s GLN 22 Cb -0.10 -2.16 -0.07 0.00 -0.22 0.00 0.00 33.01 30.46 1wgo s GLN 22 CO -0.09 0.41 0.71 0.00 -0.25 0.00 0.00 175.29 176.07 1wgo n PRO 24 N -0.78 0.13 -1.63 0.00 -0.04 -1.26 -5.04 135.00 126.38 1wgo n PRO 24 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1wgo n PRO 24 Cb 0.53 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.14 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 0.00 2.09 0.02 1.53 0.05 -1.26 -5.09 118.68 116.02 1wgo s LEU 25 Ca 0.00 0.78 0.03 0.00 0.05 0.00 0.00 54.13 54.99 1wgo s LEU 25 Cb 0.00 -3.03 -0.02 0.00 -2.05 0.00 0.00 46.19 41.10 1wgo s LEU 25 CO 0.00 -2.62 -0.11 0.42 -0.55 0.00 0.00 176.35 173.49 1wgo s THR 26 N -3.41 0.84 0.67 5.48 -4.23 -1.25 -5.05 115.64 108.69 1wgo s THR 26 Ca 0.66 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 60.29 1wgo s THR 26 Cb -0.12 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 72.97 1wgo s THR 26 CO 0.53 0.03 1.11 -2.16 -0.54 0.00 0.00 174.62 173.59 1wgo s PRO 27 N -0.78 2.73 -0.16 3.99 0.04 -1.26 -4.52 135.00 135.03 1wgo s PRO 27 Ca 0.01 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1wgo s PRO 27 Cb -0.06 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1wgo s PRO 27 CO 0.00 -1.30 1.57 -1.25 0.04 0.00 0.00 177.00 176.06 1wgo s PRO 28 N -4.21 3.98 0.26 0.56 0.04 -1.26 -4.90 135.00 129.47 1wgo s PRO 28 Ca 0.66 1.82 0.10 0.00 0.04 0.00 0.00 61.00 63.62 1wgo s PRO 28 Cb -0.20 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 1wgo s PRO 28 CO 0.44 -1.07 -0.16 0.50 0.04 0.00 0.00 177.00 176.74 1wgo s ARG 29 N 4.30 1.55 -1.73 4.56 6.06 -1.26 -4.44 118.95 127.99 1wgo s ARG 29 Ca 0.69 -1.72 -0.19 0.00 -2.50 0.00 0.00 55.73 52.02 1wgo s ARG 29 Cb -0.27 -1.49 0.17 0.00 0.06 0.00 0.00 34.95 33.42 1wgo s ARG 29 CO 0.27 0.24 0.71 0.41 -2.50 0.00 0.00 175.30 174.43 1wgo n GLY 30 N -0.54 -0.42 3.58 8.12 0.00 -1.26 -3.59 105.19 111.08 1wgo n GLY 30 Ca -0.06 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -7.26 3.93 0.20 0.99 1.98 -1.26 -3.32 118.68 113.94 1wgo s LEU 31 Ca 0.72 0.30 -0.07 0.00 -2.89 0.00 0.00 54.13 52.18 1wgo s LEU 31 Cb -0.40 -3.28 -0.02 0.00 0.66 0.00 0.00 46.19 43.15 1wgo s LEU 31 CO 0.95 -1.05 0.29 -1.10 -1.89 0.00 0.00 176.35 173.56 1wgo s GLN 32 N 3.83 1.30 0.27 1.98 -0.21 -1.25 -4.18 119.66 121.41 1wgo s GLN 32 Ca 0.39 -1.35 0.11 0.00 0.02 0.00 0.00 55.36 54.53 1wgo s GLN 32 Cb -0.10 0.37 -0.05 0.00 1.00 0.00 0.00 33.01 34.23 1wgo s GLN 32 CO 0.26 -0.48 -0.15 0.14 -2.12 0.00 0.00 175.29 172.93 1wgo s VAL 33 N -4.05 2.73 0.19 1.09 -7.23 -1.26 -3.78 120.40 108.09 1wgo s VAL 33 Ca 0.26 -2.25 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1wgo s VAL 33 Cb 0.03 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1wgo s VAL 33 CO 0.07 -0.37 0.30 -0.44 -0.31 0.00 0.00 175.10 174.35 1wgo s SER 34 N -3.50 0.03 -0.13 4.85 0.01 -0.51 -4.95 113.70 109.50 1wgo s SER 34 Ca 0.30 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 1wgo s SER 34 Cb -0.06 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 1wgo s SER 34 CO 0.16 -0.94 -0.07 -0.63 0.41 0.00 0.00 173.24 172.17 1wgo s ILE 35 N -4.01 3.62 0.47 1.44 1.01 -1.26 0.52 121.20 122.98 1wgo s ILE 35 Ca 0.22 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 1wgo s ILE 35 Cb 0.03 -2.55 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 1wgo s ILE 35 CO 0.04 0.52 1.38 0.00 0.00 0.00 0.00 174.94 176.89 1wgo n GLN 36 N 3.25 2.05 -2.01 2.79 6.02 -1.25 -4.61 117.38 123.63 1wgo n GLN 36 Ca -0.18 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1wgo n GLN 36 Cb 0.53 -2.57 0.00 0.00 1.02 0.00 0.00 30.24 29.22 1wgo n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wgo n GLY 37 N 0.67 -5.24 3.55 1.08 0.00 -1.26 -4.66 105.19 99.33 1wgo n GLY 37 Ca 0.07 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 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 1.01 1.52 -4.21 1.61 2.13 -1.26 -4.94 120.64 116.49 1wgo n GLU 38 Ca 0.00 0.36 -0.24 0.00 0.66 0.00 0.00 57.16 57.93 1wgo n GLU 38 Cb 0.00 -3.04 -0.07 0.00 0.27 0.00 0.00 31.44 28.60 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 8.87 3.29 0.12 4.31 0.00 -1.26 -5.05 121.76 132.04 1wgo s ALA 39 Ca 1.04 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1wgo s ALA 39 Cb -0.46 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1wgo s ALA 39 CO 0.37 0.36 0.00 0.28 0.00 0.00 0.00 175.76 176.77 1wgo n VAL 40 N -0.62 0.66 -3.66 0.00 0.31 -1.26 -5.06 118.33 108.71 1wgo n VAL 40 Ca -0.08 0.22 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 1wgo n VAL 40 Cb 0.57 -1.25 -0.17 0.00 -0.91 0.00 0.00 33.84 32.08 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 -2.00 0.61 0.34 3.52 0.00 -1.26 -4.83 121.76 118.14 1wgo s ALA 41 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1wgo s ALA 41 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1wgo s ALA 41 CO 0.00 -1.11 0.56 0.08 0.00 0.00 0.00 175.76 175.29 1wgo s VAL 42 N 2.04 5.08 0.29 0.00 1.01 -1.21 -4.85 120.40 122.78 1wgo s VAL 42 Ca 0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1wgo s VAL 42 Cb -0.16 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1wgo s VAL 42 CO -0.08 -0.53 0.63 -0.13 0.00 0.00 0.00 175.10 174.98 1wgo s ARG 43 N -4.19 3.79 -0.72 2.72 0.52 -1.26 -1.40 118.95 118.41 1wgo s ARG 43 Ca 0.41 0.32 -0.26 0.00 -0.52 0.00 0.00 55.73 55.68 1wgo s ARG 43 Cb -0.10 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 1wgo s ARG 43 CO 0.36 0.20 1.90 -1.25 0.02 0.00 0.00 175.30 176.52 1wgo s PRO 44 N -3.21 2.60 0.00 3.54 0.04 -1.25 -2.40 135.00 134.31 1wgo s PRO 44 Ca 0.49 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1wgo s PRO 44 Cb -0.11 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1wgo s PRO 44 CO 0.24 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1wgo n GLY 45 N 6.14 0.29 3.94 0.56 0.00 -1.25 -4.87 105.19 110.01 1wgo n GLY 45 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 3.28 -0.34 1.61 0.41 -1.01 -4.68 118.70 117.98 1wgo s GLU 46 Ca 0.00 -0.33 -0.16 0.00 -0.41 0.00 0.00 54.97 54.07 1wgo s GLU 46 Cb 0.00 -2.57 -0.01 0.00 -1.78 0.00 0.00 34.13 29.77 1wgo s GLU 46 CO 0.00 -0.12 0.41 -0.51 -0.49 0.00 0.00 175.26 174.56 1wgo s ASP 47 N -4.14 6.23 -0.13 -0.19 1.01 -1.26 -3.32 116.67 114.88 1wgo s ASP 47 Ca 0.45 -0.10 -0.05 0.00 0.71 0.00 0.00 52.55 53.56 1wgo s ASP 47 Cb -0.10 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1wgo s ASP 47 CO 0.38 -0.37 0.05 0.54 0.21 0.00 0.00 175.17 175.99 1wgo s VAL 48 N 2.15 4.73 0.41 -1.27 0.11 -0.77 -4.87 120.40 120.89 1wgo s VAL 48 Ca 0.14 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1wgo s VAL 48 Cb -0.16 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1wgo s VAL 48 CO 0.12 0.56 0.70 -0.76 -3.33 0.00 0.00 175.10 172.38 1wgo s LEU 49 N -0.45 3.80 -0.21 2.54 2.01 -1.26 -1.73 118.68 123.38 1wgo s LEU 49 Ca 0.09 0.82 -0.05 0.00 0.01 0.00 0.00 54.13 55.01 1wgo s LEU 49 Cb -0.12 -3.73 0.07 0.00 0.01 0.00 0.00 46.19 42.42 1wgo s LEU 49 CO 0.02 -0.44 0.11 -0.36 1.01 0.00 0.00 176.35 176.69 1wgo s PHE 50 N -2.50 0.22 -0.01 0.29 0.08 -0.80 -3.93 117.98 111.33 1wgo s PHE 50 Ca 0.46 -0.47 -0.20 0.00 0.12 0.00 0.00 56.93 56.83 1wgo s PHE 50 Cb -0.10 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1wgo s PHE 50 CO 0.39 -0.61 0.58 0.08 -0.10 0.00 0.00 175.22 175.55 1wgo s VAL 51 N 2.13 4.93 -0.09 -0.44 1.01 0.18 -0.33 120.40 127.80 1wgo s VAL 51 Ca 0.04 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.26 1wgo s VAL 51 Cb -0.16 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1wgo s VAL 51 CO -0.18 0.42 -0.19 0.54 0.00 0.00 0.00 175.10 175.70 1wgo s VAL 52 N -0.19 2.60 0.20 2.92 0.11 -1.26 -1.42 120.40 123.37 1wgo s VAL 52 Ca 0.30 -0.85 -0.21 0.00 -2.93 0.00 0.00 61.98 58.29 1wgo s VAL 52 Cb -0.18 -2.03 0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1wgo s VAL 52 CO 0.17 0.56 0.62 -0.60 -3.33 0.00 0.00 175.10 172.51 1wgo s ARG 53 N -0.00 1.46 0.05 1.54 3.52 -1.25 -4.80 118.95 119.47 1wgo s ARG 53 Ca -0.06 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 54.89 1wgo s ARG 53 Cb -0.15 0.58 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1wgo s ARG 53 CO 0.05 -0.65 -0.19 -1.14 -0.81 0.00 0.00 175.30 172.56 1wgo s GLN 54 N -3.83 1.24 0.23 5.12 0.74 -1.26 -3.77 119.66 118.13 1wgo s GLN 54 Ca 0.06 -0.93 -0.11 0.00 0.05 0.00 0.00 55.36 54.43 1wgo s GLN 54 Cb -0.03 -1.36 0.32 0.00 1.10 0.00 0.00 33.01 33.05 1wgo s GLN 54 CO -0.05 0.34 1.63 1.05 -0.55 0.00 0.00 175.29 177.71 1wgo h GLU 55 N 4.77 0.04 0.00 1.67 -0.00 -1.61 -3.14 114.58 116.31 1wgo h GLU 55 Ca -0.42 -0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 58.84 1wgo h GLU 55 Cb 1.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.89 1wgo h GLU 55 CO 0.43 0.03 -1.49 0.94 -0.00 0.00 0.00 179.01 178.92 1wgo n GLN 56 N -5.41 1.88 -3.64 1.06 7.27 -1.26 -5.06 117.38 112.21 1wgo n GLN 56 Ca 0.10 -0.03 -0.30 0.00 0.07 0.00 0.00 57.00 56.84 1wgo n GLN 56 Cb 0.39 -1.20 0.02 0.00 2.41 0.00 0.00 30.24 31.85 1wgo n GLN 56 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wgo n GLY 57 N 2.34 -0.68 2.55 1.69 0.00 -1.19 -4.92 105.19 104.99 1wgo n GLY 57 Ca -0.09 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.52 2.81 -3.98 1.61 -0.08 -1.26 -5.03 116.55 109.10 1wgo n ASP 58 Ca -0.21 -2.89 -0.09 0.00 -1.51 0.00 0.00 54.79 50.10 1wgo n ASP 58 Cb 0.68 -0.46 -0.10 0.00 2.34 0.00 0.00 41.12 43.59 1wgo n ASP 58 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wgo s VAL 59 N -4.10 0.15 0.31 5.18 0.11 -1.26 -3.95 120.40 116.85 1wgo s VAL 59 Ca 0.36 -1.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1wgo s VAL 59 Cb 0.39 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1wgo s VAL 59 CO -0.03 -0.70 0.07 0.00 -3.33 0.00 0.00 175.10 171.11 1wgo n LEU 60 N 0.68 0.00 -3.76 2.54 -0.00 -1.26 -4.82 117.00 110.38 1wgo n LEU 60 Ca -0.18 -2.23 -0.27 0.00 -0.00 0.00 0.00 56.01 53.33 1wgo n LEU 60 Cb 0.59 0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 44.52 1wgo n LEU 60 CO 0.24 -0.33 -0.23 0.41 -0.00 0.00 0.00 177.39 177.47 1wgo n THR 61 N -0.73 -0.36 -3.32 1.47 -1.04 -1.26 -4.84 114.28 104.21 1wgo n THR 61 Ca -0.08 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.32 1wgo n THR 61 Cb 0.44 -0.54 -0.08 0.00 -1.82 0.00 0.00 70.33 68.33 1wgo n THR 61 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wgo s THR 62 N -3.31 5.09 -0.02 12.58 2.01 -1.26 -4.78 115.64 125.96 1wgo s THR 62 Ca 0.31 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1wgo s THR 62 Cb -0.18 -4.08 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1wgo s THR 62 CO 0.73 -0.49 1.57 -0.54 -0.69 0.00 0.00 174.62 175.20 1wgo s LYS 63 N 2.10 4.21 -0.21 4.92 -0.14 -1.26 -1.72 119.74 127.64 1wgo s LYS 63 Ca 0.11 2.14 -0.02 0.00 -1.36 0.00 0.00 55.97 56.84 1wgo s LYS 63 Cb -0.18 -3.77 0.01 0.00 -1.68 0.00 0.00 37.83 32.20 1wgo s LYS 63 CO 0.12 -0.74 -0.11 0.71 -0.76 0.00 0.00 175.35 174.57 1wgo s TYR 64 N 3.23 2.90 -0.67 3.18 2.02 -0.79 -3.75 117.35 123.47 1wgo s TYR 64 Ca 0.70 -1.28 -0.17 0.00 -0.37 0.00 0.00 57.07 55.95 1wgo s TYR 64 Cb -0.34 -2.03 0.14 0.00 -0.40 0.00 0.00 41.96 39.33 1wgo s TYR 64 CO 0.29 -0.67 0.72 -1.14 -1.57 0.00 0.00 175.55 173.18 1wgo s GLN 65 N 1.39 3.21 -0.32 -0.62 2.00 -0.65 -2.70 119.66 121.97 1wgo s GLN 65 Ca 0.05 -1.69 -0.23 0.00 -2.00 0.00 0.00 55.36 51.49 1wgo s GLN 65 Cb -0.14 -4.38 0.00 0.00 0.80 0.00 0.00 33.01 29.29 1wgo s GLN 65 CO -0.07 -1.47 0.75 0.08 -0.50 0.00 0.00 175.29 174.08 1wgo s VAL 66 N 1.93 4.81 -0.33 1.34 1.01 -1.19 -2.16 120.40 125.82 1wgo s VAL 66 Ca 0.13 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1wgo s VAL 66 Cb -0.20 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1wgo s VAL 66 CO 0.01 -0.26 0.06 -0.62 0.00 0.00 0.00 175.10 174.29 1wgo s ASP 67 N 1.66 5.11 0.07 3.32 2.15 -0.69 -3.78 116.67 124.52 1wgo s ASP 67 Ca 0.31 -1.28 -0.17 0.00 0.43 0.00 0.00 52.55 51.84 1wgo s ASP 67 Cb -0.14 -1.79 -0.12 0.00 -0.30 0.00 0.00 42.92 40.56 1wgo s ASP 67 CO 0.13 -0.31 1.36 -0.07 -0.17 0.00 0.00 175.17 176.10 1wgo h LEU 68 N 8.10 0.59 0.00 -1.34 -0.00 -1.82 -2.37 115.31 118.47 1wgo h LEU 68 Ca -0.21 -0.51 0.00 0.00 -0.00 0.00 0.00 57.88 57.16 1wgo h LEU 68 Cb 1.07 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1wgo h LEU 68 CO 0.58 0.98 0.00 0.61 -0.00 0.00 0.00 178.44 180.61 1wgo n GLY 69 N 0.28 3.31 0.19 0.83 0.00 -1.26 -4.24 105.19 104.30 1wgo n GLY 69 Ca -0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -0.44 0.00 1.61 3.58 -1.93 -3.45 116.42 115.80 1wgo h ASP 70 Ca 0.00 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1wgo h ASP 70 Cb 0.00 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 1wgo h ASP 70 CO 0.00 -0.29 -0.12 0.61 -2.88 0.00 0.00 179.24 176.56 1wgo n GLY 71 N -1.24 0.05 3.38 -0.78 0.00 -1.26 -5.13 105.19 100.20 1wgo n GLY 71 Ca -0.06 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 0.02 2.85 -0.18 1.61 5.36 -1.26 -5.09 117.98 121.29 1wgo s PHE 72 Ca 0.01 -0.64 -0.05 0.00 -0.96 0.00 0.00 56.93 55.30 1wgo s PHE 72 Cb 0.07 -1.88 0.07 0.00 -0.34 0.00 0.00 43.02 40.94 1wgo s PHE 72 CO -0.02 -0.23 0.13 0.15 -1.46 0.00 0.00 175.22 173.80 1wgo s LYS 73 N 0.45 0.10 0.06 10.12 1.02 -1.26 -3.35 119.74 126.88 1wgo s LYS 73 Ca -0.09 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.92 1wgo s LYS 73 Cb -0.16 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1wgo s LYS 73 CO 0.04 -0.66 -0.04 0.00 -0.92 0.00 0.00 175.35 173.77 1wgo s ALA 74 N 2.20 0.58 -0.29 5.17 0.00 -1.25 -5.10 121.76 123.07 1wgo s ALA 74 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1wgo s ALA 74 Cb -0.16 0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.27 1wgo s ALA 74 CO -0.10 -0.29 0.06 1.41 0.00 0.00 0.00 175.76 176.84 1wgo s MET 75 N -3.49 0.99 -0.19 0.00 1.75 -1.26 -3.14 119.30 113.96 1wgo s MET 75 Ca 0.05 -1.15 -0.11 0.00 -1.25 0.00 0.00 55.69 53.23 1wgo s MET 75 Cb 0.04 -2.32 -0.05 0.00 2.84 0.00 0.00 34.83 35.35 1wgo s MET 75 CO -0.07 -0.89 0.16 0.71 -0.65 0.00 0.00 175.02 174.28 1wgo s TYR 76 N 1.47 3.43 0.24 4.11 1.51 -1.10 -4.91 117.35 122.10 1wgo s TYR 76 Ca 0.07 0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 56.40 1wgo s TYR 76 Cb -0.18 -2.18 -0.08 0.00 -0.11 0.00 0.00 41.96 39.41 1wgo s TYR 76 CO -0.18 0.31 0.61 0.08 -1.11 0.00 0.00 175.55 175.26 1wgo s VAL 77 N 0.29 4.82 -1.14 0.71 1.01 -1.26 -1.89 120.40 122.93 1wgo s VAL 77 Ca 0.10 0.73 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 1wgo s VAL 77 Cb -0.11 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.75 1wgo s VAL 77 CO -0.00 -0.01 0.36 -3.20 0.00 0.00 0.00 175.10 172.25 1wgo n ASN 78 N 0.07 -1.22 -0.34 3.32 2.85 -0.70 -4.67 115.26 114.57 1wgo n ASN 78 Ca -0.00 -0.70 0.32 0.00 -0.11 0.00 0.00 54.58 54.09 1wgo n ASN 78 Cb 0.52 -1.08 0.59 0.00 1.24 0.00 0.00 39.78 41.05 1wgo n ASN 78 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1wgo h LEU 79 N -0.53 0.32 -0.87 1.20 5.85 -1.76 1.18 115.31 120.70 1wgo h LEU 79 Ca -0.36 0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1wgo h LEU 79 Cb 0.95 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 1wgo h LEU 79 CO 0.54 -0.38 0.55 0.71 -0.34 0.00 0.00 178.44 179.52 1wgo h THR 80 N 0.03 1.08 -0.38 1.05 1.35 -1.87 -2.06 112.91 112.12 1wgo h THR 80 Ca 0.84 -0.35 0.02 0.00 -0.55 0.00 0.00 66.41 66.36 1wgo h THR 80 Cb 2.27 -0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 1wgo h THR 80 CO -0.71 0.19 0.23 0.25 -0.25 0.00 0.00 175.52 175.22 1wgo h LEU 81 N 1.03 0.37 -1.84 3.87 6.46 0.11 -1.79 115.31 123.53 1wgo h LEU 81 Ca 0.37 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.11 1wgo h LEU 81 Cb 0.11 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1wgo h LEU 81 CO -0.15 0.27 -0.11 0.71 -0.62 0.00 0.00 178.44 178.53 1wgo h THR 82 N 0.46 0.99 -6.27 1.05 1.35 -1.26 -3.46 112.91 105.76 1wgo h THR 82 Ca 0.15 -0.39 -0.46 0.00 -0.55 0.00 0.00 66.41 65.15 1wgo h THR 82 Cb 0.00 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1wgo h THR 82 CO -0.07 0.11 -0.80 0.61 -0.25 0.00 0.00 175.52 175.12 1wgo n GLY 83 N -1.15 -0.38 3.22 5.82 0.00 -0.67 -4.98 105.19 107.04 1wgo n GLY 83 Ca -0.03 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.39 2.06 0.89 1.61 0.41 -1.26 -5.08 118.70 110.93 1wgo s GLU 84 Ca 0.34 -0.77 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 1wgo s GLU 84 Cb -0.17 -1.83 0.12 0.00 -1.78 0.00 0.00 34.13 30.47 1wgo s GLU 84 CO 0.84 0.37 1.09 -1.25 -0.49 0.00 0.00 175.26 175.81 1wgo s PRO 85 N -0.21 1.32 -0.42 0.39 0.04 -1.26 -4.71 135.00 130.14 1wgo s PRO 85 Ca 0.00 0.84 0.02 0.00 0.04 0.00 0.00 61.00 61.90 1wgo s PRO 85 Cb -0.11 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.73 1wgo s PRO 85 CO 0.02 -2.20 0.16 0.42 0.04 0.00 0.00 177.00 175.43 1wgo s ILE 86 N -2.93 2.63 0.17 0.56 1.01 0.55 -4.84 121.20 118.34 1wgo s ILE 86 Ca 0.63 -2.61 -0.23 0.00 0.00 0.00 0.00 60.65 58.44 1wgo s ILE 86 Cb -0.18 -2.86 -0.08 0.00 0.01 0.00 0.00 42.46 39.35 1wgo s ILE 86 CO 0.57 -0.69 0.74 0.00 0.00 0.00 0.00 174.94 175.56 1wgo s ARG 87 N 0.54 4.44 -0.22 2.79 1.70 -1.26 -1.91 118.95 125.03 1wgo s ARG 87 Ca 0.13 1.03 -0.18 0.00 -0.47 0.00 0.00 55.73 56.24 1wgo s ARG 87 Cb -0.22 -3.14 0.06 0.00 -0.57 0.00 0.00 34.95 31.08 1wgo s ARG 87 CO -0.05 0.53 0.58 -1.58 -1.08 0.00 0.00 175.30 173.69 1wgo s HIS 88 N -1.26 -0.71 -0.14 5.89 2.46 -0.70 -4.97 115.29 115.86 1wgo s HIS 88 Ca 0.37 1.63 -0.07 0.00 0.47 0.00 0.00 55.06 57.46 1wgo s HIS 88 Cb -0.21 0.30 -0.04 0.00 -0.13 0.00 0.00 32.58 32.51 1wgo s HIS 88 CO 0.24 -0.35 0.10 0.50 -2.47 0.00 0.00 174.74 172.76 1wgo s ARG 89 N 0.73 3.63 0.63 2.88 3.00 -1.26 -1.84 118.95 126.71 1wgo s ARG 89 Ca -0.03 -0.22 -0.05 0.00 -1.00 0.00 0.00 55.73 54.43 1wgo s ARG 89 Cb -0.05 -3.19 0.04 0.00 0.00 0.00 0.00 34.95 31.75 1wgo s ARG 89 CO -0.05 0.58 0.92 0.71 0.00 0.00 0.00 175.30 177.46 1wgo s TYR 90 N -0.48 3.01 -0.11 5.12 2.02 -1.21 -5.00 117.35 120.70 1wgo s TYR 90 Ca 0.11 0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 57.11 1wgo s TYR 90 Cb -0.12 -2.94 -0.05 0.00 -0.40 0.00 0.00 41.96 38.45 1wgo s TYR 90 CO 0.02 -1.09 -0.22 0.39 -1.57 0.00 0.00 175.55 173.08 1wgo n GLU 91 N -2.67 0.34 -4.34 -0.62 1.02 -1.26 -3.77 120.64 109.34 1wgo n GLU 91 Ca 0.07 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 57.09 1wgo n GLU 91 Cb 0.59 -1.09 -0.10 0.00 -0.02 0.00 0.00 31.44 30.83 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 -6.19 4.04 0.91 1.62 0.01 -1.26 -4.54 113.70 108.29 1wgo s SER 92 Ca -0.20 -0.70 -0.12 0.00 1.31 0.00 0.00 55.95 56.24 1wgo s SER 92 Cb 0.05 -0.59 0.14 0.00 0.21 0.00 0.00 66.02 65.83 1wgo s SER 92 CO 0.28 0.09 1.09 -2.16 0.41 0.00 0.00 173.24 172.95 1wgo s PRO 93 N -2.99 1.16 0.00 12.44 0.04 -1.26 -4.87 135.00 139.52 1wgo s PRO 93 Ca 0.25 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1wgo s PRO 93 Cb -0.08 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1wgo s PRO 93 CO 0.15 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1wgo n GLY 94 N -1.12 3.48 3.62 0.56 0.00 -0.73 -5.04 105.19 105.97 1wgo n GLY 94 Ca 0.07 -1.52 -0.48 0.00 0.00 0.00 0.00 46.02 44.09 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 0.11 0.51 -4.05 -0.61 -0.00 -1.26 -4.33 119.36 109.73 1wgo n ILE 95 Ca 0.00 -0.13 -0.23 0.00 -0.00 0.00 0.00 62.75 62.39 1wgo n ILE 95 Cb 0.00 -1.13 -0.04 0.00 -0.00 0.00 0.00 39.64 38.47 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 0.22 3.25 -0.37 1.39 1.51 0.53 -4.96 117.35 118.92 1wgo s TYR 96 Ca 0.76 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.76 1wgo s TYR 96 Cb -0.79 -1.51 0.09 0.00 -0.11 0.00 0.00 41.96 39.64 1wgo s TYR 96 CO 0.47 0.50 0.14 1.03 -1.11 0.00 0.00 175.55 176.59 1wgo s ARG 97 N -3.60 2.17 -0.09 -0.62 0.52 -1.26 -2.74 118.95 113.33 1wgo s ARG 97 Ca 0.33 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 53.86 1wgo s ARG 97 Cb -0.09 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1wgo s ARG 97 CO 0.26 -0.92 0.17 0.08 0.02 0.00 0.00 175.30 174.92 1wgo s VAL 98 N 1.19 5.46 0.07 3.52 1.01 -0.48 -4.16 120.40 127.01 1wgo s VAL 98 Ca 0.04 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1wgo s VAL 98 Cb -0.22 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1wgo s VAL 98 CO -0.03 0.55 -0.05 -0.94 0.00 0.00 0.00 175.10 174.63 1wgo s SER 99 N -1.23 0.81 -0.20 3.32 1.04 -0.89 -1.30 113.70 115.24 1wgo s SER 99 Ca 0.18 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 1wgo s SER 99 Cb -0.12 0.13 0.10 0.00 0.10 0.00 0.00 66.02 66.23 1wgo s SER 99 CO 0.08 -0.48 0.28 0.54 0.98 0.00 0.00 173.24 174.64 1wgo s VAL 100 N -3.37 -0.43 0.15 5.02 0.11 -0.15 -1.70 120.40 120.03 1wgo s VAL 100 Ca 0.06 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1wgo s VAL 100 Cb 0.04 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1wgo s VAL 100 CO -0.06 -0.13 0.36 -0.60 -3.33 0.00 0.00 175.10 171.34 1wgo s ARG 101 N 2.41 3.56 -0.20 1.54 3.52 -0.92 -1.46 118.95 127.42 1wgo s ARG 101 Ca 0.08 -0.21 -0.12 0.00 -0.13 0.00 0.00 55.73 55.35 1wgo s ARG 101 Cb -0.15 -2.87 0.06 0.00 -1.56 0.00 0.00 34.95 30.43 1wgo s ARG 101 CO -0.13 0.46 0.48 0.00 -0.81 0.00 0.00 175.30 175.31 1wgo s ALA 102 N -1.70 -1.25 -0.26 6.12 0.00 0.40 -1.64 121.76 123.42 1wgo s ALA 102 Ca 0.40 1.70 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 1wgo s ALA 102 Cb -0.12 -1.02 0.14 0.00 0.00 0.00 0.00 23.12 22.13 1wgo s ALA 102 CO 0.26 -0.28 0.38 -2.00 0.00 0.00 0.00 175.76 174.12 1wgo s GLU 103 N 1.28 0.37 0.25 0.00 2.12 -1.25 -0.21 118.70 121.25 1wgo s GLU 103 Ca -0.08 0.30 0.10 0.00 0.36 0.00 0.00 54.97 55.65 1wgo s GLU 103 Cb -0.07 -0.45 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 1wgo s GLU 103 CO -0.12 -0.83 -0.09 1.21 -0.54 0.00 0.00 175.26 174.88 1wgo s ASN 104 N 2.52 4.14 0.47 -1.70 3.84 0.17 -4.48 114.94 119.90 1wgo s ASN 104 Ca 0.11 -0.75 0.33 0.00 0.21 0.00 0.00 52.86 52.75 1wgo s ASN 104 Cb -0.14 -0.63 1.44 0.00 -0.55 0.00 0.00 41.25 41.37 1wgo s ASN 104 CO -0.23 0.04 1.68 0.71 -2.79 0.00 0.00 177.10 176.51 1wgo h THR 105 N 2.27 0.23 0.23 -5.21 1.35 -1.93 0.74 112.91 110.59 1wgo h THR 105 Ca -0.44 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1wgo h THR 105 Cb 1.24 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1wgo h THR 105 CO 0.58 0.02 -0.11 0.00 -0.25 0.00 0.00 175.52 175.76 1wgo h ALA 106 N 1.47 -0.31 -3.00 6.62 0.00 -1.95 -3.50 119.26 118.60 1wgo h ALA 106 Ca 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1wgo h ALA 106 Cb 2.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1wgo h ALA 106 CO -0.25 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.01 1wgo n GLY 107 N 0.28 3.37 3.52 0.00 0.00 0.25 -4.57 105.19 108.05 1wgo n GLY 107 Ca -0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.49 -0.23 0.11 1.61 -3.43 -1.26 0.44 115.29 112.04 1wgo s HIS 108 Ca 0.00 -0.10 -0.25 0.00 -0.80 0.00 0.00 55.06 53.91 1wgo s HIS 108 Cb 0.00 0.46 0.07 0.00 -1.43 0.00 0.00 32.58 31.68 1wgo s HIS 108 CO 0.00 -0.93 0.80 0.34 -2.00 0.00 0.00 174.74 172.96 1wgo s ASP 109 N -2.85 -0.37 -0.08 7.38 -1.08 0.70 -4.63 116.67 115.75 1wgo s ASP 109 Ca 0.07 -0.17 -0.25 0.00 -0.52 0.00 0.00 52.55 51.69 1wgo s ASP 109 Cb -0.01 0.51 0.06 0.00 -1.46 0.00 0.00 42.92 42.01 1wgo s ASP 109 CO -0.05 -0.87 0.57 -0.70 0.52 0.00 0.00 175.17 174.64 1wgo s GLU 110 N -3.43 0.89 0.12 4.34 2.12 -1.26 -0.45 118.70 121.03 1wgo s GLU 110 Ca 0.06 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.62 1wgo s GLU 110 Cb -0.02 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 1wgo s GLU 110 CO -0.06 -0.24 0.11 0.00 -0.54 0.00 0.00 175.26 174.53 1wgo s ALA 111 N -0.92 0.47 -0.08 6.30 0.00 -0.53 -4.89 121.76 122.11 1wgo s ALA 111 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 1wgo s ALA 111 Cb -0.02 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1wgo s ALA 111 CO 0.07 -0.51 0.19 0.08 0.00 0.00 0.00 175.76 175.59 1wgo s VAL 112 N -3.99 -0.04 -0.09 0.00 1.01 -1.26 -0.98 120.40 115.05 1wgo s VAL 112 Ca 0.17 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1wgo s VAL 112 Cb 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1wgo s VAL 112 CO -0.02 0.05 -0.18 -0.22 0.00 0.00 0.00 175.10 174.73 1wgo s LEU 113 N 1.01 1.88 -0.42 3.92 0.20 -0.42 -4.96 118.68 119.88 1wgo s LEU 113 Ca -0.07 -0.45 -0.15 0.00 0.69 0.00 0.00 54.13 54.15 1wgo s LEU 113 Cb -0.09 -1.16 0.03 0.00 -0.43 0.00 0.00 46.19 44.54 1wgo s LEU 113 CO -0.06 0.09 0.31 -0.36 -0.29 0.00 0.00 176.35 176.04 1wgo s PHE 114 N 0.58 3.24 -0.16 5.38 0.08 -1.26 -1.38 117.98 124.46 1wgo s PHE 114 Ca -0.15 -0.68 -0.18 0.00 0.12 0.00 0.00 56.93 56.04 1wgo s PHE 114 Cb -0.17 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1wgo s PHE 114 CO 0.05 -0.63 0.49 0.08 -0.10 0.00 0.00 175.22 175.11 1wgo s VAL 115 N 1.66 5.15 -0.25 -0.44 1.01 -1.11 -4.92 120.40 121.51 1wgo s VAL 115 Ca 0.05 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1wgo s VAL 115 Cb -0.20 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1wgo s VAL 115 CO 0.09 0.25 0.16 -1.58 0.00 0.00 0.00 175.10 174.02 1wgo s GLN 116 N 1.15 4.04 -0.28 2.72 0.74 -1.26 -0.35 119.66 126.43 1wgo s GLN 116 Ca 0.25 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.38 1wgo s GLN 116 Cb -0.15 -3.55 0.08 0.00 1.10 0.00 0.00 33.01 30.48 1wgo s GLN 116 CO 0.10 0.02 0.01 0.54 -0.55 0.00 0.00 175.29 175.40 1wgo s VAL 117 N 1.18 1.56 1.22 1.34 0.11 -1.26 -3.30 120.40 121.24 1wgo s VAL 117 Ca 0.07 -1.52 -0.18 0.00 -2.93 0.00 0.00 61.98 57.42 1wgo s VAL 117 Cb -0.14 -1.97 0.24 0.00 -1.53 0.00 0.00 36.38 32.98 1wgo s VAL 117 CO 0.06 -0.35 0.56 -1.20 -3.33 0.00 0.00 175.10 170.83 1wgo n SER 118 N 4.61 -2.83 -4.40 3.54 7.64 -0.49 -1.78 113.62 119.91 1wgo n SER 118 Ca -0.06 -0.39 -0.20 0.00 1.01 0.00 0.00 58.87 59.23 1wgo n SER 118 Cb 0.43 -1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 1wgo n SER 118 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgo s GLY 119 N -2.32 1.85 -0.02 0.23 0.00 -1.26 -3.85 107.32 101.94 1wgo s GLY 119 Ca 0.58 -1.93 -0.26 0.00 0.00 0.00 0.00 44.72 43.12 1wgo s GLY 119 CO 0.57 -1.75 1.24 -0.56 0.00 0.00 0.00 173.10 172.60 1wgo h PRO 120 N 2.27 -0.04 -6.07 2.90 0.13 -1.99 -3.48 132.00 125.72 1wgo h PRO 120 Ca -0.40 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.31 1wgo h PRO 120 Cb 1.24 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.42 1wgo h PRO 120 CO 0.67 0.43 -0.76 0.43 -0.23 0.00 0.00 178.00 178.55 1wgo n SER 121 N -4.88 -4.12 -4.37 1.44 7.64 -1.26 -4.91 113.62 103.16 1wgo n SER 121 Ca -0.08 -0.71 -0.45 0.00 1.01 0.00 0.00 58.87 58.63 1wgo n SER 121 Cb 0.25 -4.34 -0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1wgo n SER 121 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgo s SER 122 N -3.66 7.17 0.00 6.43 0.15 -1.26 -5.36 113.70 117.18 1wgo s SER 122 Ca 0.43 -3.29 0.07 0.00 0.70 0.00 0.00 55.95 53.86 1wgo s SER 122 Cb -0.21 -2.26 0.39 0.00 -1.71 0.00 0.00 66.02 62.23 1wgo s SER 122 CO 0.79 -0.46 0.85 0.61 1.20 0.00 0.00 173.24 176.24