#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 -0.44 0.15 1.61 0.15 -1.26 -5.19 113.70 108.73 1wgo s SER 2 Ca 0.00 0.71 -0.25 0.00 0.70 0.00 0.00 55.95 57.11 1wgo s SER 2 Cb 0.00 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 65.04 1wgo s SER 2 CO 0.00 -0.25 0.93 -0.94 1.20 0.00 0.00 173.24 174.18 1wgo s SER 3 N -0.32 -0.20 0.00 5.45 1.04 -1.26 -5.18 113.70 113.22 1wgo s SER 3 Ca 0.01 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1wgo s SER 3 Cb -0.03 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1wgo s SER 3 CO -0.02 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1wgo n GLY 4 N -0.45 2.07 3.51 7.32 0.00 -1.26 -5.19 105.19 111.20 1wgo n GLY 4 Ca -0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.47 0.28 1.61 1.04 -1.26 -5.19 113.70 109.71 1wgo s SER 5 Ca 0.00 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.53 1wgo s SER 5 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1wgo s SER 5 CO 0.00 -0.61 0.63 -0.55 0.98 0.00 0.00 173.24 173.69 1wgo s SER 6 N -1.88 -0.14 0.00 7.02 0.15 -1.26 -5.14 113.70 112.46 1wgo s SER 6 Ca -0.01 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1wgo s SER 6 Cb -0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1wgo s SER 6 CO -0.03 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.72 1wgo n GLY 7 N -0.44 -1.74 3.56 9.45 0.00 -1.26 -5.10 105.19 109.66 1wgo n GLY 7 Ca -0.03 0.92 -0.40 0.00 0.00 0.00 0.00 46.02 46.51 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 6.52 1.52 0.00 0.00 0.41 -1.26 -5.11 118.70 120.79 1wgo s GLU 9 Ca 0.61 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1wgo s GLU 9 Cb -0.12 -1.11 0.00 0.00 -1.78 0.00 0.00 34.13 31.12 1wgo s GLU 9 CO 0.21 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 1wgo n GLY 10 N -0.56 2.61 0.00 -1.39 0.00 -1.26 -5.14 105.19 99.45 1wgo n GLY 10 Ca -0.05 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 0.96 0.88 2.67 -0.02 0.00 -1.26 -5.11 105.19 103.31 1wgo n GLY 11 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 1.15 -0.25 1.61 1.01 -1.26 -5.07 120.40 117.59 1wgo s VAL 12 Ca 0.00 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.65 1wgo s VAL 12 Cb 0.00 -1.81 0.07 0.00 0.00 0.00 0.00 36.38 34.63 1wgo s VAL 12 CO 0.00 -0.90 -0.03 1.51 0.00 0.00 0.00 175.10 175.69 1wgo s ASP 13 N 0.56 3.89 0.01 3.32 1.47 -1.26 -5.01 116.67 119.65 1wgo s ASP 13 Ca 0.17 -1.28 -0.25 0.00 1.18 0.00 0.00 52.55 52.37 1wgo s ASP 13 Cb -0.24 -1.15 -0.18 0.00 -0.34 0.00 0.00 42.92 41.01 1wgo s ASP 13 CO -0.01 -0.27 1.36 0.24 0.68 0.00 0.00 175.17 177.18 1wgo h MET 14 N 7.96 -0.11 -6.38 2.11 2.86 -2.02 -3.46 114.93 115.89 1wgo h MET 14 Ca -0.16 0.01 -0.49 0.00 -2.06 0.00 0.00 59.70 56.99 1wgo h MET 14 Cb 1.06 0.02 -0.28 0.00 0.06 0.00 0.00 31.60 32.47 1wgo h MET 14 CO 0.42 0.22 -0.73 0.00 1.06 0.00 0.00 176.91 177.89 1wgo n GLN 15 N -4.98 -0.81 -0.06 1.72 10.64 -1.26 -4.77 117.38 117.85 1wgo n GLN 15 Ca -0.08 0.10 -0.22 0.00 -1.83 0.00 0.00 57.00 54.97 1wgo n GLN 15 Cb 0.20 -3.52 -0.12 0.00 -0.86 0.00 0.00 30.24 25.94 1wgo n GLN 15 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wgo n GLN 16 N -3.41 0.66 -3.62 2.61 10.64 -1.26 -5.03 117.38 117.97 1wgo n GLN 16 Ca 0.02 0.37 -0.09 0.00 -1.83 0.00 0.00 57.00 55.47 1wgo n GLN 16 Cb 0.40 -1.68 -0.06 0.00 -0.86 0.00 0.00 30.24 28.03 1wgo n GLN 16 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1wgo s SER 17 N -6.97 -0.40 -0.65 2.61 0.15 -1.26 -5.04 113.70 102.14 1wgo s SER 17 Ca -0.28 0.68 -0.01 0.00 0.70 0.00 0.00 55.95 57.04 1wgo s SER 17 Cb 0.07 0.67 0.47 0.00 -1.71 0.00 0.00 66.02 65.52 1wgo s SER 17 CO 0.66 -0.19 2.02 0.00 1.20 0.00 0.00 173.24 176.93 1wgo n GLN 18 N 1.77 2.67 -1.34 5.44 1.13 -1.26 -5.02 117.38 120.77 1wgo n GLN 18 Ca -0.12 -3.28 -0.44 0.00 -1.94 0.00 0.00 57.00 51.22 1wgo n GLN 18 Cb 0.56 -2.28 -0.01 0.00 0.11 0.00 0.00 30.24 28.62 1wgo n GLN 18 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1wgo n VAL 19 N -0.93 1.19 -4.18 5.09 0.24 -1.26 -4.98 118.33 113.49 1wgo n VAL 19 Ca 0.62 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 62.31 1wgo n VAL 19 Cb 0.74 -0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.01 1wgo n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgo s GLN 20 N -1.00 0.88 -0.09 7.34 -2.07 -1.26 -5.11 119.66 118.35 1wgo s GLN 20 Ca 0.61 -1.37 -0.30 0.00 -1.82 0.00 0.00 55.36 52.48 1wgo s GLN 20 Cb -0.75 -0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 30.92 1wgo s GLN 20 CO 0.60 -0.05 1.61 -1.17 -1.32 0.00 0.00 175.29 174.96 1wgo s LEU 21 N -3.07 4.25 -0.35 2.60 0.20 -1.26 -4.98 118.68 116.07 1wgo s LEU 21 Ca 0.14 2.10 -0.11 0.00 0.69 0.00 0.00 54.13 56.95 1wgo s LEU 21 Cb 0.06 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.29 1wgo s LEU 21 CO -0.03 -0.95 0.20 -1.10 -0.29 0.00 0.00 176.35 174.17 1wgo s GLN 22 N 4.07 3.12 0.32 1.98 -1.52 -1.26 -5.08 119.66 121.29 1wgo s GLN 22 Ca 0.71 -0.88 -0.21 0.00 -1.95 0.00 0.00 55.36 53.03 1wgo s GLN 22 Cb -0.31 -3.70 -0.10 0.00 -0.22 0.00 0.00 33.01 28.69 1wgo s GLN 22 CO 0.28 -0.56 0.84 0.00 -0.25 0.00 0.00 175.29 175.59 1wgo s PRO 24 N -2.50 2.57 0.14 0.00 0.04 -1.26 -4.88 135.00 129.11 1wgo s PRO 24 Ca 0.52 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 1wgo s PRO 24 Cb -0.14 -4.91 0.07 0.00 0.04 0.00 0.00 34.50 29.56 1wgo s PRO 24 CO 0.19 -3.23 0.66 -0.48 0.04 0.00 0.00 177.00 174.18 1wgo s LEU 25 N 9.86 -0.51 0.02 -3.56 0.05 -1.26 -5.18 118.68 118.10 1wgo s LEU 25 Ca 0.69 -0.06 0.04 0.00 0.05 0.00 0.00 54.13 54.86 1wgo s LEU 25 Cb -0.08 2.51 -0.02 0.00 -2.05 0.00 0.00 46.19 46.55 1wgo s LEU 25 CO 0.04 -0.94 -0.13 0.42 -0.55 0.00 0.00 176.35 175.19 1wgo s THR 26 N -3.65 1.01 0.97 5.48 -4.23 -1.26 -5.06 115.64 108.89 1wgo s THR 26 Ca 0.03 -0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 1wgo s THR 26 Cb -0.01 -0.90 0.17 0.00 1.34 0.00 0.00 72.50 73.10 1wgo s THR 26 CO -0.11 0.08 1.09 -2.16 -0.54 0.00 0.00 174.62 172.99 1wgo s PRO 27 N -0.83 0.64 -0.75 3.99 0.04 -1.26 -4.76 135.00 132.07 1wgo s PRO 27 Ca 0.02 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 61.40 1wgo s PRO 27 Cb -0.07 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1wgo s PRO 27 CO 0.01 -2.61 1.91 -1.25 0.04 0.00 0.00 177.00 175.10 1wgo s PRO 28 N -4.96 2.59 0.52 0.56 0.04 -1.26 -4.88 135.00 127.61 1wgo s PRO 28 Ca 0.65 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.88 1wgo s PRO 28 Cb -0.18 -4.72 0.03 0.00 0.04 0.00 0.00 34.50 29.66 1wgo s PRO 28 CO 0.57 -3.06 0.73 0.50 0.04 0.00 0.00 177.00 175.79 1wgo s ARG 29 N 7.03 2.62 -0.29 4.56 3.52 -1.26 -4.27 118.95 130.87 1wgo s ARG 29 Ca 0.69 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 1wgo s ARG 29 Cb -0.10 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 1wgo s ARG 29 CO 0.10 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1wgo n GLY 30 N -2.23 0.31 3.61 8.12 0.00 -1.26 -3.81 105.19 109.92 1wgo n GLY 30 Ca 0.08 -0.01 -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 -0.63 3.63 0.04 0.99 1.98 -1.26 -4.04 118.68 119.38 1wgo s LEU 31 Ca 0.00 1.53 -0.16 0.00 -2.89 0.00 0.00 54.13 52.61 1wgo s LEU 31 Cb 0.00 -3.53 0.03 0.00 0.66 0.00 0.00 46.19 43.35 1wgo s LEU 31 CO 0.00 -1.60 0.35 -1.58 -1.89 0.00 0.00 176.35 171.63 1wgo s GLN 32 N 5.46 0.84 0.15 1.98 0.74 -1.26 -4.36 119.66 123.22 1wgo s GLN 32 Ca 0.81 -0.41 0.05 0.00 0.05 0.00 0.00 55.36 55.86 1wgo s GLN 32 Cb -0.26 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1wgo s GLN 32 CO 0.33 -0.27 0.13 0.14 -0.55 0.00 0.00 175.29 175.07 1wgo s VAL 33 N -2.38 4.49 0.12 1.34 -7.23 -1.26 -4.17 120.40 111.32 1wgo s VAL 33 Ca -0.06 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.04 1wgo s VAL 33 Cb -0.01 -3.27 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 1wgo s VAL 33 CO -0.02 -0.08 0.08 -0.55 -0.31 0.00 0.00 175.10 174.23 1wgo s SER 34 N -3.02 0.28 -0.25 4.85 0.15 -0.73 -5.00 113.70 109.98 1wgo s SER 34 Ca 0.31 -1.11 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 1wgo s SER 34 Cb -0.10 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1wgo s SER 34 CO 0.23 -0.74 0.04 -0.63 1.20 0.00 0.00 173.24 173.34 1wgo s ILE 35 N -4.01 3.91 -0.75 6.45 1.01 -1.26 -0.40 121.20 126.15 1wgo s ILE 35 Ca 0.20 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.25 1wgo s ILE 35 Cb 0.07 -2.87 -0.19 0.00 0.01 0.00 0.00 42.46 39.47 1wgo s ILE 35 CO -0.01 0.29 1.90 1.67 0.00 0.00 0.00 174.94 178.80 1wgo n GLN 36 N 4.87 0.00 0.00 2.79 -0.06 -0.89 -4.06 117.38 120.03 1wgo n GLN 36 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1wgo n GLN 36 Cb 0.50 -1.01 0.00 0.00 -4.06 0.00 0.00 30.24 25.67 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 4.65 -1.86 3.59 1.69 0.00 -1.26 -4.86 105.19 107.14 1wgo n GLY 37 Ca 0.50 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1wgo n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgo s GLU 38 N -4.55 3.12 0.23 1.61 2.12 -1.26 -4.97 118.70 115.01 1wgo s GLU 38 Ca 0.00 1.68 0.08 0.00 0.36 0.00 0.00 54.97 57.09 1wgo s GLU 38 Cb 0.00 -4.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 1wgo s GLU 38 CO 0.00 -2.11 0.06 0.00 -0.54 0.00 0.00 175.26 172.67 1wgo s ALA 39 N 8.02 3.31 -0.06 6.30 0.00 -1.26 -5.07 121.76 133.00 1wgo s ALA 39 Ca 0.90 -1.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1wgo s ALA 39 Cb -0.27 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1wgo s ALA 39 CO 0.33 0.35 -0.18 0.28 0.00 0.00 0.00 175.76 176.54 1wgo n VAL 40 N -0.68 1.29 -3.72 0.00 0.31 -1.26 -5.02 118.33 109.25 1wgo n VAL 40 Ca -0.08 0.19 -0.24 0.00 -0.01 0.00 0.00 64.34 64.21 1wgo n VAL 40 Cb 0.57 -1.94 -0.17 0.00 -0.91 0.00 0.00 33.84 31.38 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 -2.44 0.63 0.19 3.52 0.00 -1.26 -4.78 121.76 117.62 1wgo s ALA 41 Ca -0.16 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1wgo s ALA 41 Cb 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1wgo s ALA 41 CO 0.23 -0.70 0.36 0.08 0.00 0.00 0.00 175.76 175.73 1wgo s VAL 42 N 2.01 5.25 0.34 0.00 1.01 -1.16 -4.89 120.40 122.96 1wgo s VAL 42 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1wgo s VAL 42 Cb -0.14 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1wgo s VAL 42 CO -0.06 -0.16 0.70 -0.13 0.00 0.00 0.00 175.10 175.45 1wgo s ARG 43 N -3.34 3.83 -0.45 2.72 0.52 -1.26 -2.13 118.95 118.84 1wgo s ARG 43 Ca 0.37 0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 55.74 1wgo s ARG 43 Cb -0.11 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 1wgo s ARG 43 CO 0.29 0.10 1.76 -1.25 0.02 0.00 0.00 175.30 176.23 1wgo s PRO 44 N -3.40 3.10 0.00 3.54 0.04 -1.26 -3.24 135.00 133.79 1wgo s PRO 44 Ca 0.51 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1wgo s PRO 44 Cb -0.10 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1wgo s PRO 44 CO 0.25 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.56 1wgo n GLY 45 N 5.47 1.37 3.09 0.56 0.00 -1.17 -4.93 105.19 109.58 1wgo n GLY 45 Ca 0.21 0.00 -0.32 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 -0.14 2.77 -0.85 1.61 0.41 -1.20 -4.86 118.70 116.44 1wgo s GLU 46 Ca 0.00 -0.81 -0.24 0.00 -0.41 0.00 0.00 54.97 53.51 1wgo s GLU 46 Cb 0.00 -2.50 -0.17 0.00 -1.78 0.00 0.00 34.13 29.68 1wgo s GLU 46 CO 0.00 -0.25 2.29 -0.25 -0.49 0.00 0.00 175.26 176.56 1wgo n ASP 47 N 4.64 1.34 -4.75 -0.19 9.92 -1.26 -4.57 116.55 121.68 1wgo n ASP 47 Ca -0.20 -1.65 -0.40 0.00 -0.53 0.00 0.00 54.79 52.01 1wgo n ASP 47 Cb 0.49 -1.57 -0.05 0.00 -0.64 0.00 0.00 41.12 39.36 1wgo n ASP 47 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wgo s VAL 48 N 13.95 3.71 0.05 2.53 0.11 0.15 -4.69 120.40 136.22 1wgo s VAL 48 Ca 0.91 1.71 0.00 0.00 -2.93 0.00 0.00 61.98 61.67 1wgo s VAL 48 Cb -0.17 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1wgo s VAL 48 CO 0.14 0.40 0.18 -0.76 -3.33 0.00 0.00 175.10 171.74 1wgo s LEU 49 N -1.29 4.26 -0.18 2.54 2.01 -1.26 -2.17 118.68 122.59 1wgo s LEU 49 Ca 0.43 0.24 -0.01 0.00 0.01 0.00 0.00 54.13 54.80 1wgo s LEU 49 Cb -0.30 -2.81 0.05 0.00 0.01 0.00 0.00 46.19 43.14 1wgo s LEU 49 CO 0.38 0.19 -0.01 -0.36 1.01 0.00 0.00 176.35 177.56 1wgo s PHE 50 N -1.45 1.43 0.02 0.29 0.08 -1.01 -2.09 117.98 115.26 1wgo s PHE 50 Ca 0.33 -1.03 -0.23 0.00 0.12 0.00 0.00 56.93 56.12 1wgo s PHE 50 Cb -0.13 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1wgo s PHE 50 CO 0.25 -0.62 0.68 0.08 -0.10 0.00 0.00 175.22 175.51 1wgo s VAL 51 N 1.72 4.81 -0.06 -0.44 1.01 0.46 -1.83 120.40 126.08 1wgo s VAL 51 Ca -0.01 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.46 1wgo s VAL 51 Cb -0.17 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1wgo s VAL 51 CO -0.07 0.40 -0.24 0.54 0.00 0.00 0.00 175.10 175.73 1wgo s VAL 52 N -0.19 2.14 -0.11 2.92 0.11 -1.26 -1.77 120.40 122.24 1wgo s VAL 52 Ca 0.34 -1.04 -0.27 0.00 -2.93 0.00 0.00 61.98 58.09 1wgo s VAL 52 Cb -0.19 -1.78 0.06 0.00 -1.53 0.00 0.00 36.38 32.94 1wgo s VAL 52 CO 0.20 0.57 0.63 -0.60 -3.33 0.00 0.00 175.10 172.57 1wgo s ARG 53 N -0.21 0.92 -0.13 1.54 6.06 -1.26 -4.74 118.95 121.12 1wgo s ARG 53 Ca -0.02 0.42 -0.04 0.00 -2.50 0.00 0.00 55.73 53.59 1wgo s ARG 53 Cb -0.13 0.44 -0.03 0.00 0.06 0.00 0.00 34.95 35.28 1wgo s ARG 53 CO 0.03 -0.24 0.01 -1.14 -2.50 0.00 0.00 175.30 171.47 1wgo s GLN 54 N -0.70 3.46 -0.07 5.12 0.74 -1.26 -4.25 119.66 122.69 1wgo s GLN 54 Ca -0.08 -0.41 -0.24 0.00 0.05 0.00 0.00 55.36 54.69 1wgo s GLN 54 Cb -0.02 -2.96 -0.19 0.00 1.10 0.00 0.00 33.01 30.94 1wgo s GLN 54 CO 0.06 0.47 0.90 1.49 -0.55 0.00 0.00 175.29 177.67 1wgo h GLU 55 N 5.97 -0.08 -0.28 1.67 4.57 -1.70 -3.35 114.58 121.38 1wgo h GLU 55 Ca -0.42 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1wgo h GLU 55 Cb 1.19 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1wgo h GLU 55 CO 0.61 0.53 0.00 0.94 -1.18 0.00 0.00 179.01 179.91 1wgo n GLN 56 N -4.80 2.85 -1.46 1.92 -0.06 -1.25 -4.97 117.38 109.62 1wgo n GLN 56 Ca -0.08 -2.23 -0.15 0.00 -2.00 0.00 0.00 57.00 52.54 1wgo n GLN 56 Cb 0.31 -1.40 -0.13 0.00 -4.06 0.00 0.00 30.24 24.96 1wgo n GLN 56 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wgo n GLY 57 N 0.09 -0.31 2.36 1.69 0.00 -1.26 -4.74 105.19 103.03 1wgo n GLY 57 Ca 0.13 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1wgo n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wgo n ASP 58 N 11.60 0.79 -3.61 1.61 5.68 -1.26 -5.02 116.55 126.34 1wgo n ASP 58 Ca 0.48 -2.76 -0.03 0.00 -0.50 0.00 0.00 54.79 51.99 1wgo n ASP 58 Cb 0.33 -0.63 -0.01 0.00 -1.14 0.00 0.00 41.12 39.67 1wgo n ASP 58 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1wgo s VAL 59 N -1.02 0.00 0.29 2.12 0.11 -1.26 -4.76 120.40 115.88 1wgo s VAL 59 Ca 0.34 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 1wgo s VAL 59 Cb 0.10 -1.49 -0.14 0.00 -1.53 0.00 0.00 36.38 33.32 1wgo s VAL 59 CO -0.13 0.00 0.19 0.18 -3.33 0.00 0.00 175.10 172.01 1wgo n LEU 60 N -0.31 -1.99 -4.42 2.54 7.99 -1.26 -4.76 117.00 114.79 1wgo n LEU 60 Ca -0.05 0.77 -0.39 0.00 -0.01 0.00 0.00 56.01 56.33 1wgo n LEU 60 Cb 0.61 -0.77 0.02 0.00 -0.11 0.00 0.00 43.42 43.17 1wgo n LEU 60 CO 0.11 -3.23 -0.07 0.35 -1.51 0.00 0.00 177.39 173.04 1wgo n THR 61 N -0.58 1.67 -4.25 -5.08 -2.24 -1.26 -5.00 114.28 97.54 1wgo n THR 61 Ca 0.11 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 1wgo n THR 61 Cb 0.30 -0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.71 0.97 -0.06 4.28 2.01 -1.26 -4.94 115.64 114.94 1wgo s THR 62 Ca 0.65 -1.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 1wgo s THR 62 Cb -0.50 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1wgo s THR 62 CO 0.58 -0.10 0.81 -0.54 -0.69 0.00 0.00 174.62 174.68 1wgo s LYS 63 N -1.26 4.46 -0.23 4.92 1.02 -1.26 -3.47 119.74 123.91 1wgo s LYS 63 Ca -0.01 1.08 -0.02 0.00 0.02 0.00 0.00 55.97 57.04 1wgo s LYS 63 Cb -0.08 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1wgo s LYS 63 CO 0.01 -0.03 -0.07 0.71 -0.92 0.00 0.00 175.35 175.06 1wgo s TYR 64 N 1.06 3.00 -0.44 3.18 2.02 -1.15 -3.93 117.35 121.10 1wgo s TYR 64 Ca 0.43 -1.33 -0.19 0.00 -0.37 0.00 0.00 57.07 55.60 1wgo s TYR 64 Cb -0.19 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1wgo s TYR 64 CO 0.21 -0.67 0.57 -1.14 -1.57 0.00 0.00 175.55 172.94 1wgo s GLN 65 N 1.38 3.20 -0.23 -0.62 0.74 -0.39 -3.42 119.66 120.32 1wgo s GLN 65 Ca 0.03 -0.56 -0.21 0.00 0.05 0.00 0.00 55.36 54.67 1wgo s GLN 65 Cb -0.15 -3.97 -0.02 0.00 1.10 0.00 0.00 33.01 29.97 1wgo s GLN 65 CO -0.05 -0.97 0.65 0.08 -0.55 0.00 0.00 175.29 174.45 1wgo s VAL 66 N 2.55 4.98 -0.28 1.34 1.01 -1.19 -1.59 120.40 127.22 1wgo s VAL 66 Ca 0.18 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1wgo s VAL 66 Cb -0.16 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.32 1wgo s VAL 66 CO 0.16 0.05 -0.05 -0.62 0.00 0.00 0.00 175.10 174.64 1wgo s ASP 67 N 1.36 4.68 0.03 3.32 2.15 -0.74 -3.74 116.67 123.73 1wgo s ASP 67 Ca 0.28 -1.36 -0.20 0.00 0.43 0.00 0.00 52.55 51.70 1wgo s ASP 67 Cb -0.16 -1.63 -0.16 0.00 -0.30 0.00 0.00 42.92 40.67 1wgo s ASP 67 CO 0.09 -0.23 1.27 -0.07 -0.17 0.00 0.00 175.17 176.06 1wgo h LEU 68 N 7.88 0.43 0.00 -1.34 -0.00 -1.79 -2.71 115.31 117.78 1wgo h LEU 68 Ca -0.20 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 1wgo h LEU 68 Cb 1.05 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1wgo h LEU 68 CO 0.50 0.91 0.00 0.61 -0.00 0.00 0.00 178.44 180.46 1wgo n GLY 69 N 0.44 2.81 0.20 0.83 0.00 -1.25 -4.01 105.19 104.21 1wgo n GLY 69 Ca -0.07 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 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 1.10 -0.40 0.00 1.61 1.82 -1.93 -3.46 116.42 115.16 1wgo h ASP 70 Ca 0.00 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1wgo h ASP 70 Cb 0.00 0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1wgo h ASP 70 CO 0.00 -0.15 -0.04 0.61 -1.61 0.00 0.00 179.24 178.05 1wgo n GLY 71 N 0.03 -0.32 3.19 -0.78 0.00 -1.26 -5.14 105.19 100.91 1wgo n GLY 71 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 2.64 -0.19 1.61 5.36 -1.26 -5.10 117.98 121.04 1wgo s PHE 72 Ca 0.00 -1.25 -0.03 0.00 -0.96 0.00 0.00 56.93 54.69 1wgo s PHE 72 Cb 0.00 -1.79 0.06 0.00 -0.34 0.00 0.00 43.02 40.95 1wgo s PHE 72 CO 0.00 -0.55 0.05 0.15 -1.46 0.00 0.00 175.22 173.41 1wgo s LYS 73 N 0.67 0.52 0.12 10.12 3.01 -1.26 -3.26 119.74 129.65 1wgo s LYS 73 Ca -0.11 -0.36 0.05 0.00 -1.01 0.00 0.00 55.97 54.55 1wgo s LYS 73 Cb -0.16 -2.04 -0.04 0.00 -1.01 0.00 0.00 37.83 34.58 1wgo s LYS 73 CO 0.01 -0.66 -0.13 0.00 0.51 0.00 0.00 175.35 175.08 1wgo s ALA 74 N 1.92 1.41 -0.11 5.17 0.00 -1.25 -5.09 121.76 123.81 1wgo s ALA 74 Ca -0.00 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.70 1wgo s ALA 74 Cb -0.17 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1wgo s ALA 74 CO -0.09 0.07 -0.14 1.41 0.00 0.00 0.00 175.76 177.01 1wgo s MET 75 N -2.70 2.13 0.01 0.00 1.75 -1.26 -3.17 119.30 116.06 1wgo s MET 75 Ca 0.08 -0.52 0.07 0.00 -1.25 0.00 0.00 55.69 54.07 1wgo s MET 75 Cb -0.04 -1.86 -0.02 0.00 2.84 0.00 0.00 34.83 35.75 1wgo s MET 75 CO 0.02 -0.10 -0.21 0.71 -0.65 0.00 0.00 175.02 174.79 1wgo s TYR 76 N 1.11 1.84 0.12 4.11 2.02 -1.22 -5.06 117.35 120.26 1wgo s TYR 76 Ca -0.04 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1wgo s TYR 76 Cb -0.14 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1wgo s TYR 76 CO -0.03 0.03 0.22 0.08 -1.57 0.00 0.00 175.55 174.28 1wgo s VAL 77 N -0.64 5.18 -1.07 0.71 1.01 -1.26 -2.91 120.40 121.42 1wgo s VAL 77 Ca 0.08 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1wgo s VAL 77 Cb -0.08 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.83 1wgo s VAL 77 CO 0.00 0.00 0.34 -3.20 0.00 0.00 0.00 175.10 172.25 1wgo n ASN 78 N -0.16 -1.20 -0.37 3.32 2.85 -1.23 -4.67 115.26 113.80 1wgo n ASN 78 Ca -0.07 -0.63 0.34 0.00 -0.11 0.00 0.00 54.58 54.12 1wgo n ASN 78 Cb 0.53 -1.07 0.61 0.00 1.24 0.00 0.00 39.78 41.09 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 -0.49 0.29 -0.40 1.20 5.85 -1.83 0.83 115.31 120.75 1wgo h LEU 79 Ca -0.34 0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1wgo h LEU 79 Cb 0.95 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1wgo h LEU 79 CO 0.51 -0.36 0.21 0.71 -0.34 0.00 0.00 178.44 179.17 1wgo h THR 80 N 0.03 0.99 0.16 1.05 1.35 -1.85 -0.83 112.91 113.81 1wgo h THR 80 Ca 0.85 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.57 1wgo h THR 80 Cb 2.41 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1wgo h THR 80 CO -0.65 0.08 -0.16 0.25 -0.25 0.00 0.00 175.52 174.78 1wgo h LEU 81 N 0.42 -0.42 -2.40 3.87 6.46 0.35 -1.73 115.31 121.86 1wgo h LEU 81 Ca 0.17 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1wgo h LEU 81 Cb 0.06 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1wgo h LEU 81 CO -0.11 -0.24 0.00 0.71 -0.62 0.00 0.00 178.44 178.18 1wgo h THR 82 N -0.35 0.59 -1.49 1.05 1.35 -1.27 -3.45 112.91 109.35 1wgo h THR 82 Ca 0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.63 1wgo h THR 82 Cb 0.33 1.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.66 1wgo h THR 82 CO -0.04 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 175.63 1wgo n GLY 83 N -1.35 1.06 3.76 5.82 0.00 -0.34 -4.90 105.19 109.24 1wgo n GLY 83 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.99 4.35 1.05 1.61 2.02 -1.26 -4.96 118.70 118.52 1wgo s GLU 84 Ca 0.00 0.77 -0.14 0.00 0.02 0.00 0.00 54.97 55.62 1wgo s GLU 84 Cb 0.00 -3.36 0.21 0.00 0.10 0.00 0.00 34.13 31.09 1wgo s GLU 84 CO 0.00 0.32 1.10 -1.25 0.02 0.00 0.00 175.26 175.45 1wgo s PRO 85 N -0.06 0.02 -0.36 0.39 0.04 -1.26 -4.77 135.00 129.00 1wgo s PRO 85 Ca 0.32 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1wgo s PRO 85 Cb -0.18 -1.70 0.10 0.00 0.04 0.00 0.00 34.50 32.75 1wgo s PRO 85 CO 0.18 -2.98 0.10 0.42 0.04 0.00 0.00 177.00 174.76 1wgo s ILE 86 N -2.97 2.76 0.22 0.56 1.01 -0.76 -4.87 121.20 117.15 1wgo s ILE 86 Ca 0.67 -2.10 -0.28 0.00 0.00 0.00 0.00 60.65 58.94 1wgo s ILE 86 Cb -0.17 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 1wgo s ILE 86 CO 0.57 -0.56 0.87 -0.60 0.00 0.00 0.00 174.94 175.23 1wgo s ARG 87 N 1.05 4.71 -0.24 2.79 3.52 -1.26 -2.39 118.95 127.12 1wgo s ARG 87 Ca 0.07 1.33 -0.26 0.00 -0.13 0.00 0.00 55.73 56.74 1wgo s ARG 87 Cb -0.21 -3.22 0.09 0.00 -1.56 0.00 0.00 34.95 30.05 1wgo s ARG 87 CO -0.06 0.52 0.81 -1.58 -0.81 0.00 0.00 175.30 174.18 1wgo s HIS 88 N -1.22 -0.67 0.13 5.12 2.46 -0.92 -4.97 115.29 115.22 1wgo s HIS 88 Ca 0.40 1.56 0.11 0.00 0.47 0.00 0.00 55.06 57.59 1wgo s HIS 88 Cb -0.24 0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.49 1wgo s HIS 88 CO 0.29 -0.37 -0.26 0.50 -2.47 0.00 0.00 174.74 172.43 1wgo s ARG 89 N 0.06 1.37 0.31 2.88 3.52 -1.26 -0.68 118.95 125.14 1wgo s ARG 89 Ca -0.01 -1.33 0.08 0.00 -0.13 0.00 0.00 55.73 54.35 1wgo s ARG 89 Cb -0.04 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1wgo s ARG 89 CO 0.00 0.43 0.11 0.71 -0.81 0.00 0.00 175.30 175.75 1wgo s TYR 90 N -1.08 2.76 -0.16 5.12 2.02 -1.26 -4.99 117.35 119.75 1wgo s TYR 90 Ca 0.13 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 1wgo s TYR 90 Cb -0.10 -1.48 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 1wgo s TYR 90 CO 0.06 0.44 -0.29 0.39 -1.57 0.00 0.00 175.55 174.58 1wgo n GLU 91 N -1.08 0.46 -4.14 -0.62 1.02 -1.26 -3.07 120.64 111.94 1wgo n GLU 91 Ca -0.05 0.19 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 1wgo n GLU 91 Cb 0.60 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 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 -6.28 5.07 0.83 1.62 0.01 -1.26 -4.66 113.70 109.03 1wgo s SER 92 Ca -0.27 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 1wgo s SER 92 Cb 0.06 -1.23 0.09 0.00 0.21 0.00 0.00 66.02 65.15 1wgo s SER 92 CO 0.37 0.19 1.09 -2.16 0.41 0.00 0.00 173.24 173.14 1wgo s PRO 93 N -2.22 1.82 0.00 12.44 0.04 -1.26 -4.97 135.00 140.85 1wgo s PRO 93 Ca 0.25 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1wgo s PRO 93 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wgo s PRO 93 CO 0.18 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1wgo n GLY 94 N -1.16 4.33 3.63 0.56 0.00 -0.87 -5.04 105.19 106.64 1wgo n GLY 94 Ca 0.08 -1.24 -0.47 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.20 0.60 -4.19 -0.61 2.08 -1.26 -4.38 119.36 110.40 1wgo n ILE 95 Ca 0.00 -0.15 -0.25 0.00 0.56 0.00 0.00 62.75 62.91 1wgo n ILE 95 Cb 0.00 -1.22 -0.07 0.00 -0.75 0.00 0.00 39.64 37.60 1wgo n ILE 95 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1wgo s TYR 96 N 0.18 2.90 -0.28 1.39 2.02 -0.42 -4.96 117.35 118.18 1wgo s TYR 96 Ca 0.74 -0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 57.27 1wgo s TYR 96 Cb -0.75 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 1wgo s TYR 96 CO 0.47 0.53 0.02 0.50 -1.57 0.00 0.00 175.55 175.51 1wgo s ARG 97 N -3.17 2.84 -0.10 -0.62 3.00 -1.26 -2.48 118.95 117.17 1wgo s ARG 97 Ca 0.29 -1.00 0.03 0.00 -1.00 0.00 0.00 55.73 54.05 1wgo s ARG 97 Cb -0.09 -3.22 -0.01 0.00 0.00 0.00 0.00 34.95 31.64 1wgo s ARG 97 CO 0.20 -0.48 -0.21 0.08 0.00 0.00 0.00 175.30 174.89 1wgo s VAL 98 N 1.39 2.38 -0.01 7.11 1.01 -0.35 -3.80 120.40 128.13 1wgo s VAL 98 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1wgo s VAL 98 Cb -0.18 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1wgo s VAL 98 CO -0.00 0.55 0.04 -0.44 0.00 0.00 0.00 175.10 175.25 1wgo s SER 99 N 0.24 0.02 -0.20 3.32 0.01 -1.02 -0.23 113.70 115.84 1wgo s SER 99 Ca -0.14 -0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.05 1wgo s SER 99 Cb -0.17 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1wgo s SER 99 CO 0.07 -0.11 -0.14 0.54 0.41 0.00 0.00 173.24 174.01 1wgo s VAL 100 N -0.44 2.48 0.17 3.43 0.11 -0.30 -1.80 120.40 124.05 1wgo s VAL 100 Ca -0.05 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.05 1wgo s VAL 100 Cb -0.03 -2.12 -0.06 0.00 -1.53 0.00 0.00 36.38 32.64 1wgo s VAL 100 CO -0.00 0.44 0.45 -0.60 -3.33 0.00 0.00 175.10 172.06 1wgo s ARG 101 N 1.33 3.72 -0.20 1.54 3.52 -0.62 -1.55 118.95 126.69 1wgo s ARG 101 Ca 0.04 0.11 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 1wgo s ARG 101 Cb -0.14 -2.79 0.06 0.00 -1.56 0.00 0.00 34.95 30.52 1wgo s ARG 101 CO -0.09 0.42 0.49 0.00 -0.81 0.00 0.00 175.30 175.31 1wgo s ALA 102 N -1.68 -1.26 -0.25 6.12 0.00 -0.03 -1.26 121.76 123.40 1wgo s ALA 102 Ca 0.42 1.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.98 1wgo s ALA 102 Cb -0.12 -0.97 0.14 0.00 0.00 0.00 0.00 23.12 22.17 1wgo s ALA 102 CO 0.22 -0.27 0.42 -2.00 0.00 0.00 0.00 175.76 174.13 1wgo s GLU 103 N 0.97 0.38 0.47 0.00 2.12 -1.25 -0.09 118.70 121.30 1wgo s GLU 103 Ca -0.06 0.66 0.05 0.00 0.36 0.00 0.00 54.97 55.98 1wgo s GLU 103 Cb -0.06 -0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.07 1wgo s GLU 103 CO -0.08 -0.60 0.18 0.54 -0.54 0.00 0.00 175.26 174.75 1wgo s ASN 104 N 2.60 4.37 0.27 -1.70 4.22 0.77 -4.58 114.94 120.90 1wgo s ASN 104 Ca 0.13 -1.28 -0.02 0.00 -2.14 0.00 0.00 52.86 49.56 1wgo s ASN 104 Cb -0.15 -0.02 0.60 0.00 1.28 0.00 0.00 41.25 42.96 1wgo s ASN 104 CO -0.16 -0.75 1.64 0.71 -2.04 0.00 0.00 177.10 176.50 1wgo h THR 105 N 1.26 0.32 0.00 0.54 1.35 -1.94 -2.88 112.91 111.57 1wgo h THR 105 Ca -0.42 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1wgo h THR 105 Cb 1.28 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1wgo h THR 105 CO 0.69 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 1wgo n ALA 106 N -2.81 -0.28 -2.76 6.62 0.00 -1.26 -5.02 120.51 115.00 1wgo n ALA 106 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1wgo n ALA 106 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.60 5.06 3.45 0.00 0.00 -1.09 -4.91 105.19 107.10 1wgo n GLY 107 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 1.96 -0.54 -0.08 1.61 -3.43 -1.26 -0.16 115.29 113.38 1wgo s HIS 108 Ca 0.00 0.97 -0.10 0.00 -0.80 0.00 0.00 55.06 55.13 1wgo s HIS 108 Cb 0.00 0.31 0.02 0.00 -1.43 0.00 0.00 32.58 31.48 1wgo s HIS 108 CO 0.00 -0.52 0.27 -0.51 -2.00 0.00 0.00 174.74 171.98 1wgo s ASP 109 N -1.03 -0.25 0.00 7.38 1.01 0.87 -4.89 116.67 119.76 1wgo s ASP 109 Ca -0.10 0.43 -0.01 0.00 0.71 0.00 0.00 52.55 53.58 1wgo s ASP 109 Cb -0.02 0.50 -0.01 0.00 1.01 0.00 0.00 42.92 44.40 1wgo s ASP 109 CO 0.07 -0.16 0.01 -0.70 0.21 0.00 0.00 175.17 174.60 1wgo s GLU 110 N -0.16 0.15 0.21 8.23 2.12 -1.26 -0.85 118.70 127.14 1wgo s GLU 110 Ca -0.03 -0.22 0.11 0.00 0.36 0.00 0.00 54.97 55.19 1wgo s GLU 110 Cb -0.03 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1wgo s GLU 110 CO 0.01 -0.03 -0.21 0.00 -0.54 0.00 0.00 175.26 174.50 1wgo s ALA 111 N -0.58 2.42 0.03 6.30 0.00 -0.60 -4.96 121.76 124.37 1wgo s ALA 111 Ca -0.06 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.28 1wgo s ALA 111 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1wgo s ALA 111 CO -0.00 0.32 -0.15 0.08 0.00 0.00 0.00 175.76 176.00 1wgo s VAL 112 N -2.07 1.23 -0.09 0.00 1.01 -1.26 -1.15 120.40 118.06 1wgo s VAL 112 Ca 0.22 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1wgo s VAL 112 Cb -0.06 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1wgo s VAL 112 CO 0.10 0.10 0.36 -0.22 0.00 0.00 0.00 175.10 175.45 1wgo s LEU 113 N -0.99 0.62 -0.09 3.92 0.20 0.68 -4.92 118.68 118.09 1wgo s LEU 113 Ca 0.03 0.50 0.03 0.00 0.69 0.00 0.00 54.13 55.39 1wgo s LEU 113 Cb -0.08 1.34 -0.01 0.00 -0.43 0.00 0.00 46.19 47.01 1wgo s LEU 113 CO 0.01 -0.27 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.23 1wgo s PHE 114 N -0.45 2.60 -0.19 5.38 0.40 -1.26 -1.21 117.98 123.25 1wgo s PHE 114 Ca -0.06 -0.81 -0.06 0.00 -0.60 0.00 0.00 56.93 55.41 1wgo s PHE 114 Cb -0.04 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1wgo s PHE 114 CO 0.02 -0.28 0.02 0.08 0.70 0.00 0.00 175.22 175.77 1wgo s VAL 115 N 0.14 4.26 -0.41 -0.44 1.01 -1.03 -4.95 120.40 118.97 1wgo s VAL 115 Ca -0.11 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1wgo s VAL 115 Cb -0.16 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1wgo s VAL 115 CO 0.06 0.44 0.30 -1.58 0.00 0.00 0.00 175.10 174.32 1wgo s GLN 116 N 0.69 2.94 -0.37 2.72 0.74 -1.26 -1.31 119.66 123.82 1wgo s GLN 116 Ca 0.01 -1.08 -0.01 0.00 0.05 0.00 0.00 55.36 54.33 1wgo s GLN 116 Cb -0.14 -3.96 0.09 0.00 1.10 0.00 0.00 33.01 30.11 1wgo s GLN 116 CO 0.02 -0.78 0.12 0.54 -0.55 0.00 0.00 175.29 174.64 1wgo s VAL 117 N 1.65 3.00 0.25 1.34 0.11 -1.26 -2.97 120.40 122.52 1wgo s VAL 117 Ca 0.04 -1.96 -0.21 0.00 -2.93 0.00 0.00 61.98 56.93 1wgo s VAL 117 Cb -0.20 -3.01 -0.09 0.00 -1.53 0.00 0.00 36.38 31.56 1wgo s VAL 117 CO 0.09 -0.53 0.78 -0.94 -3.33 0.00 0.00 175.10 171.17 1wgo s SER 118 N 1.50 7.13 1.08 3.54 1.04 -0.90 -2.06 113.70 125.03 1wgo s SER 118 Ca 0.05 1.52 -0.06 0.00 0.48 0.00 0.00 55.95 57.94 1wgo s SER 118 Cb -0.21 -2.46 0.10 0.00 0.10 0.00 0.00 66.02 63.55 1wgo s SER 118 CO -0.04 0.01 0.33 0.61 0.98 0.00 0.00 173.24 175.13 1wgo n GLY 119 N 0.69 -2.68 3.77 7.32 0.00 -1.26 -4.04 105.19 108.99 1wgo n GLY 119 Ca -0.01 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.75 2.29 0.35 1.61 0.04 -1.26 -4.91 135.00 129.37 1wgo s PRO 120 Ca 0.22 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.53 1wgo s PRO 120 Cb -0.02 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1wgo s PRO 120 CO 0.17 -1.62 0.09 -1.12 0.04 0.00 0.00 177.00 174.56 1wgo s SER 121 N -3.31 4.43 0.11 6.66 0.01 -1.26 -5.15 113.70 115.19 1wgo s SER 121 Ca 0.62 -0.91 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1wgo s SER 121 Cb -0.17 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1wgo s SER 121 CO 0.55 -0.31 0.02 -0.44 0.41 0.00 0.00 173.24 173.47 1wgo s SER 122 N -3.80 0.51 0.00 2.44 0.01 -1.26 -5.32 113.70 106.28 1wgo s SER 122 Ca 0.37 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1wgo s SER 122 Cb -0.01 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1wgo s SER 122 CO 0.21 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.81