#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 -0.22 0.23 1.61 0.01 -1.26 -5.19 113.70 108.89 1wgo s SER 2 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wgo s SER 2 Cb 0.00 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.71 1wgo s SER 2 CO 0.00 -0.97 0.11 -0.44 0.41 0.00 0.00 173.24 172.35 1wgo s SER 3 N -2.86 0.78 -0.10 2.44 0.01 -1.26 -5.17 113.70 107.54 1wgo s SER 3 Ca 0.08 -1.38 -0.11 0.00 1.31 0.00 0.00 55.95 55.85 1wgo s SER 3 Cb 0.00 0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.51 1wgo s SER 3 CO -0.05 -0.77 0.30 -0.83 0.41 0.00 0.00 173.24 172.30 1wgo s GLY 4 N -3.25 -0.21 -0.27 3.44 0.00 -1.26 -5.13 107.32 100.63 1wgo s GLY 4 Ca 0.38 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.89 1wgo s GLY 4 CO 0.13 0.64 -0.06 -1.35 0.00 0.00 0.00 173.10 172.45 1wgo s SER 5 N -0.06 4.42 1.03 1.64 1.04 -1.26 -5.11 113.70 115.40 1wgo s SER 5 Ca -0.02 -1.54 -0.21 0.00 0.48 0.00 0.00 55.95 54.66 1wgo s SER 5 Cb -0.03 -1.50 -0.07 0.00 0.10 0.00 0.00 66.02 64.52 1wgo s SER 5 CO 0.01 -0.24 -0.73 -1.54 0.98 0.00 0.00 173.24 171.72 1wgo n SER 6 N 4.43 -3.26 0.00 7.02 3.41 -1.26 -4.92 113.62 119.04 1wgo n SER 6 Ca -0.09 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1wgo n SER 6 Cb 0.42 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1wgo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgo n GLY 7 N 2.82 0.00 3.75 5.00 0.00 -1.26 -5.15 105.19 110.35 1wgo n GLY 7 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.79 2.08 -0.31 0.00 0.41 -1.26 -5.12 118.70 110.70 1wgo s GLU 9 Ca 0.72 -2.27 -0.10 0.00 -0.41 0.00 0.00 54.97 52.91 1wgo s GLU 9 Cb -0.26 -1.53 0.21 0.00 -1.78 0.00 0.00 34.13 30.78 1wgo s GLU 9 CO 0.39 -0.24 1.15 0.20 -0.49 0.00 0.00 175.26 176.27 1wgo s GLY 10 N -3.79 -1.91 0.17 -1.39 0.00 -1.26 -5.12 107.32 94.01 1wgo s GLY 10 Ca 0.19 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.85 1wgo s GLY 10 CO 0.10 4.42 0.00 0.61 0.00 0.00 0.00 173.10 178.22 1wgo n GLY 11 N 2.81 -5.35 3.57 0.20 0.00 -1.26 -5.08 105.19 100.08 1wgo n GLY 11 Ca 0.09 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1wgo n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgo s VAL 12 N -0.50 0.00 -0.23 1.61 0.11 -1.26 -5.17 120.40 114.97 1wgo s VAL 12 Ca 0.00 -0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 1wgo s VAL 12 Cb 0.00 -0.99 0.07 0.00 -1.53 0.00 0.00 36.38 33.93 1wgo s VAL 12 CO 0.00 -0.00 0.56 1.51 -3.33 0.00 0.00 175.10 173.84 1wgo s ASP 13 N -0.38 -0.73 0.32 3.54 1.47 -1.26 -5.17 116.67 114.46 1wgo s ASP 13 Ca -0.05 1.22 0.10 0.00 1.18 0.00 0.00 52.55 55.01 1wgo s ASP 13 Cb -0.03 1.12 -0.06 0.00 -0.34 0.00 0.00 42.92 43.61 1wgo s ASP 13 CO 0.05 -0.22 -0.14 -0.32 0.68 0.00 0.00 175.17 175.23 1wgo s MET 14 N 1.36 1.76 0.00 2.11 1.75 -1.26 -5.06 119.30 119.96 1wgo s MET 14 Ca -0.08 -1.87 0.00 0.00 -1.25 0.00 0.00 55.69 52.49 1wgo s MET 14 Cb -0.06 -1.73 0.00 0.00 2.84 0.00 0.00 34.83 35.88 1wgo s MET 14 CO -0.14 0.22 0.00 0.94 -0.65 0.00 0.00 175.02 175.38 1wgo n GLN 15 N -0.72 0.00 -3.79 4.11 7.27 -1.26 -5.02 117.38 117.97 1wgo n GLN 15 Ca -0.05 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.73 1wgo n GLN 15 Cb 0.62 -0.37 -0.06 0.00 2.41 0.00 0.00 30.24 32.84 1wgo n GLN 15 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wgo n GLN 16 N -2.40 -0.84 -0.10 3.69 0.00 -1.26 -4.77 117.38 111.69 1wgo n GLN 16 Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 57.00 56.85 1wgo n GLN 16 Cb 0.19 -3.21 -0.11 0.00 0.00 0.00 0.00 30.24 27.11 1wgo n GLN 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1wgo n SER 17 N -1.77 1.93 -2.26 2.61 7.64 -1.26 -4.37 113.62 116.15 1wgo n SER 17 Ca -0.03 0.33 -0.28 0.00 1.01 0.00 0.00 58.87 59.90 1wgo n SER 17 Cb 0.40 -0.88 0.05 0.00 -1.01 0.00 0.00 64.21 62.77 1wgo n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgo n GLN 18 N -4.17 2.36 -0.11 1.43 1.13 -1.26 -4.54 117.38 112.21 1wgo n GLN 18 Ca -0.39 -2.61 -0.11 0.00 -1.94 0.00 0.00 57.00 51.95 1wgo n GLN 18 Cb 0.81 -2.04 0.03 0.00 0.11 0.00 0.00 30.24 29.15 1wgo n GLN 18 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wgo h VAL 19 N 1.22 1.27 -0.69 5.09 2.07 -1.96 -3.29 116.25 119.97 1wgo h VAL 19 Ca 0.47 -1.45 -0.46 0.00 0.82 0.00 0.00 66.70 66.08 1wgo h VAL 19 Cb 0.75 1.27 -0.42 0.00 -1.52 0.00 0.00 31.29 31.37 1wgo h VAL 19 CO 1.21 0.49 -0.91 0.00 0.02 0.00 0.00 177.57 178.38 1wgo n GLN 20 N -4.08 3.01 -3.62 1.57 10.64 -1.26 -5.00 117.38 118.64 1wgo n GLN 20 Ca -0.01 -3.97 -0.14 0.00 -1.83 0.00 0.00 57.00 51.05 1wgo n GLN 20 Cb 0.49 -2.06 -0.13 0.00 -0.86 0.00 0.00 30.24 27.68 1wgo n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1wgo s LEU 21 N -3.65 -0.28 -0.08 2.61 0.20 -1.24 -5.14 118.68 111.09 1wgo s LEU 21 Ca 0.43 0.44 -0.17 0.00 0.69 0.00 0.00 54.13 55.52 1wgo s LEU 21 Cb 0.38 0.66 -0.05 0.00 -0.43 0.00 0.00 46.19 46.76 1wgo s LEU 21 CO 0.01 -0.26 0.47 0.00 -0.29 0.00 0.00 176.35 176.28 1wgo s GLN 22 N 2.41 4.25 0.19 1.98 -2.07 -1.26 -4.80 119.66 120.35 1wgo s GLN 22 Ca 0.03 0.46 -0.19 0.00 -1.82 0.00 0.00 55.36 53.84 1wgo s GLN 22 Cb -0.13 -3.38 -0.08 0.00 -1.09 0.00 0.00 33.01 28.33 1wgo s GLN 22 CO -0.09 0.30 0.68 0.00 -1.32 0.00 0.00 175.29 174.85 1wgo n PRO 24 N 0.89 -1.56 -1.94 0.00 -0.04 -1.26 -5.05 135.00 126.03 1wgo n PRO 24 Ca -0.04 -0.44 -0.29 0.00 -0.04 0.00 0.00 63.50 62.70 1wgo n PRO 24 Cb 0.51 -0.41 0.11 0.00 -0.04 0.00 0.00 33.50 33.67 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 0.00 2.59 0.07 1.53 1.02 -1.26 -5.06 118.68 117.57 1wgo s LEU 25 Ca 0.18 0.60 -0.12 0.00 0.02 0.00 0.00 54.13 54.80 1wgo s LEU 25 Cb -0.02 -2.98 -0.06 0.00 0.02 0.00 0.00 46.19 43.15 1wgo s LEU 25 CO 0.14 -2.10 0.43 0.42 0.02 0.00 0.00 176.35 175.26 1wgo s THR 26 N -3.63 5.02 0.45 5.49 -4.23 -1.26 -4.58 115.64 112.91 1wgo s THR 26 Ca 0.65 0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 61.59 1wgo s THR 26 Cb -0.09 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 1wgo s THR 26 CO 0.50 0.38 1.17 -2.16 -0.54 0.00 0.00 174.62 173.96 1wgo s PRO 27 N -1.65 3.79 -0.17 3.99 0.04 -1.26 -4.66 135.00 135.08 1wgo s PRO 27 Ca 0.31 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1wgo s PRO 27 Cb -0.15 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1wgo s PRO 27 CO 0.17 -0.53 1.58 -1.25 0.04 0.00 0.00 177.00 177.00 1wgo s PRO 28 N -2.65 3.96 0.07 0.56 0.04 -1.26 -4.92 135.00 130.80 1wgo s PRO 28 Ca 0.63 1.80 0.10 0.00 0.04 0.00 0.00 61.00 63.57 1wgo s PRO 28 Cb -0.29 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 1wgo s PRO 28 CO 0.35 -1.09 -0.26 1.03 0.04 0.00 0.00 177.00 177.08 1wgo s ARG 29 N 4.34 1.59 -0.95 4.56 0.52 -1.26 -4.55 118.95 123.20 1wgo s ARG 29 Ca 0.70 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 54.72 1wgo s ARG 29 Cb -0.27 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 1wgo s ARG 29 CO 0.27 0.47 0.80 0.41 0.02 0.00 0.00 175.30 177.27 1wgo n GLY 30 N 1.47 -0.41 3.41 -3.53 0.00 -1.26 -2.89 105.19 101.98 1wgo n GLY 30 Ca -0.17 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 3.73 0.26 0.99 1.98 -1.26 -2.98 118.68 116.00 1wgo s LEU 31 Ca 0.12 -0.45 -0.16 0.00 -2.89 0.00 0.00 54.13 50.75 1wgo s LEU 31 Cb -0.02 -1.93 0.01 0.00 0.66 0.00 0.00 46.19 44.91 1wgo s LEU 31 CO 0.61 -0.13 0.57 0.00 -1.89 0.00 0.00 176.35 175.51 1wgo s GLN 32 N 1.58 1.63 0.18 1.98 1.03 -1.26 -4.37 119.66 120.43 1wgo s GLN 32 Ca 0.05 -1.14 0.11 0.00 0.04 0.00 0.00 55.36 54.42 1wgo s GLN 32 Cb -0.16 0.52 -0.04 0.00 0.03 0.00 0.00 33.01 33.36 1wgo s GLN 32 CO 0.04 -0.70 -0.22 0.14 -2.54 0.00 0.00 175.29 172.00 1wgo s VAL 33 N -3.97 2.49 0.02 3.63 -7.23 -1.26 -4.18 120.40 109.89 1wgo s VAL 33 Ca 0.18 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 1wgo s VAL 33 Cb -0.03 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1wgo s VAL 33 CO 0.08 -0.09 0.25 -0.44 -0.31 0.00 0.00 175.10 174.59 1wgo s SER 34 N -2.62 -0.07 -0.10 4.85 0.01 -1.06 -4.96 113.70 109.74 1wgo s SER 34 Ca 0.21 -0.17 -0.21 0.00 1.31 0.00 0.00 55.95 57.09 1wgo s SER 34 Cb -0.08 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1wgo s SER 34 CO 0.10 -0.51 0.60 -0.63 0.41 0.00 0.00 173.24 173.21 1wgo s ILE 35 N -2.03 5.10 -0.93 1.44 1.01 -1.26 0.13 121.20 124.66 1wgo s ILE 35 Ca -0.09 1.22 -0.16 0.00 0.00 0.00 0.00 60.65 61.62 1wgo s ILE 35 Cb -0.03 -3.94 -0.27 0.00 0.01 0.00 0.00 42.46 38.23 1wgo s ILE 35 CO -0.01 0.27 2.29 1.67 0.00 0.00 0.00 174.94 179.16 1wgo n GLN 36 N 3.87 0.18 0.00 2.79 -0.06 -0.63 -4.21 117.38 119.32 1wgo n GLN 36 Ca -0.04 -0.20 0.00 0.00 -2.00 0.00 0.00 57.00 54.76 1wgo n GLN 36 Cb 0.51 -1.80 0.00 0.00 -4.06 0.00 0.00 30.24 24.90 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 5.94 -0.82 3.59 1.69 0.00 -1.26 -4.87 105.19 109.47 1wgo n GLY 37 Ca 0.62 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -5.03 2.95 0.04 1.61 2.12 -1.26 -4.96 118.70 114.18 1wgo s GLU 38 Ca 0.00 1.78 0.04 0.00 0.36 0.00 0.00 54.97 57.15 1wgo s GLU 38 Cb 0.00 -4.39 -0.04 0.00 0.26 0.00 0.00 34.13 29.97 1wgo s GLU 38 CO 0.00 -2.31 -0.04 0.00 -0.54 0.00 0.00 175.26 172.37 1wgo s ALA 39 N 8.86 3.13 -0.11 6.30 0.00 -1.26 -5.06 121.76 133.63 1wgo s ALA 39 Ca 0.96 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 1wgo s ALA 39 Cb -0.28 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1wgo s ALA 39 CO 0.33 0.65 -0.18 0.28 0.00 0.00 0.00 175.76 176.84 1wgo n VAL 40 N 1.11 0.99 -3.70 0.00 0.31 -1.26 -4.97 118.33 110.81 1wgo n VAL 40 Ca -0.14 0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 64.25 1wgo n VAL 40 Cb 0.52 -2.09 -0.17 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.87 0.52 0.37 3.52 0.00 -1.26 -4.82 121.76 117.21 1wgo s ALA 41 Ca -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1wgo s ALA 41 Cb 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1wgo s ALA 41 CO 0.22 -0.72 0.61 0.08 0.00 0.00 0.00 175.76 175.95 1wgo s VAL 42 N 2.06 5.03 0.30 0.00 1.01 -1.21 -4.82 120.40 122.78 1wgo s VAL 42 Ca 0.04 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1wgo s VAL 42 Cb -0.14 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1wgo s VAL 42 CO -0.06 -0.58 0.76 -0.13 0.00 0.00 0.00 175.10 175.09 1wgo s ARG 43 N -4.25 4.13 -0.10 2.72 3.00 -1.26 -1.49 118.95 121.70 1wgo s ARG 43 Ca 0.43 0.80 -0.29 0.00 0.00 0.00 0.00 55.73 56.67 1wgo s ARG 43 Cb -0.10 -2.58 -0.04 0.00 0.00 0.00 0.00 34.95 32.23 1wgo s ARG 43 CO 0.37 0.23 1.53 -1.25 0.00 0.00 0.00 175.30 176.17 1wgo s PRO 44 N -2.62 4.16 0.00 3.54 0.04 -1.26 -3.21 135.00 135.66 1wgo s PRO 44 Ca 0.51 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1wgo s PRO 44 Cb -0.13 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1wgo s PRO 44 CO 0.18 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1wgo n GLY 45 N 4.02 1.81 3.31 0.56 0.00 -1.22 -5.01 105.19 108.66 1wgo n GLY 45 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 3.06 -0.73 1.61 0.41 -1.20 -4.80 118.70 116.35 1wgo s GLU 46 Ca 0.00 -0.79 -0.26 0.00 -0.41 0.00 0.00 54.97 53.51 1wgo s GLU 46 Cb 0.00 -2.41 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 1wgo s GLU 46 CO 0.00 0.26 1.98 0.16 -0.49 0.00 0.00 175.26 177.17 1wgo s ASP 47 N 0.18 5.05 0.33 -0.19 1.47 -1.26 -4.08 116.67 118.18 1wgo s ASP 47 Ca -0.11 -0.02 -0.27 0.00 1.18 0.00 0.00 52.55 53.33 1wgo s ASP 47 Cb -0.16 -2.54 -0.09 0.00 -0.34 0.00 0.00 42.92 39.79 1wgo s ASP 47 CO 0.06 -2.67 1.13 0.54 0.68 0.00 0.00 175.17 174.92 1wgo s VAL 48 N 10.13 3.36 -0.14 2.11 0.11 0.29 -4.68 120.40 131.58 1wgo s VAL 48 Ca 0.73 1.26 -0.05 0.00 -2.93 0.00 0.00 61.98 60.98 1wgo s VAL 48 Cb -0.11 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 1wgo s VAL 48 CO 0.12 0.22 0.02 -0.76 -3.33 0.00 0.00 175.10 171.37 1wgo s LEU 49 N -1.94 3.64 -0.19 2.54 2.01 -1.26 -2.00 118.68 121.48 1wgo s LEU 49 Ca 0.50 0.08 0.01 0.00 0.01 0.00 0.00 54.13 54.73 1wgo s LEU 49 Cb -0.31 -1.88 0.03 0.00 0.01 0.00 0.00 46.19 44.04 1wgo s LEU 49 CO 0.39 0.25 -0.15 -0.36 1.01 0.00 0.00 176.35 177.50 1wgo s PHE 50 N -0.12 2.67 0.16 0.29 0.08 -1.12 -1.60 117.98 118.34 1wgo s PHE 50 Ca 0.05 -1.68 -0.23 0.00 0.12 0.00 0.00 56.93 55.19 1wgo s PHE 50 Cb -0.12 -1.80 -0.08 0.00 -0.57 0.00 0.00 43.02 40.45 1wgo s PHE 50 CO 0.02 -0.78 0.73 0.08 -0.10 0.00 0.00 175.22 175.16 1wgo s VAL 51 N 1.32 4.47 -0.04 -0.44 1.01 0.12 -1.94 120.40 124.90 1wgo s VAL 51 Ca 0.01 1.55 0.06 0.00 0.00 0.00 0.00 61.98 63.61 1wgo s VAL 51 Cb -0.15 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1wgo s VAL 51 CO -0.10 0.49 -0.22 0.54 0.00 0.00 0.00 175.10 175.80 1wgo s VAL 52 N -1.19 2.34 -0.04 2.92 0.11 -1.26 -2.57 120.40 120.71 1wgo s VAL 52 Ca 0.35 -0.99 -0.24 0.00 -2.93 0.00 0.00 61.98 58.17 1wgo s VAL 52 Cb -0.22 -1.85 0.05 0.00 -1.53 0.00 0.00 36.38 32.83 1wgo s VAL 52 CO 0.24 0.58 0.52 -0.60 -3.33 0.00 0.00 175.10 172.51 1wgo s ARG 53 N -0.55 0.88 0.09 1.54 6.06 -1.26 -4.86 118.95 120.84 1wgo s ARG 53 Ca 0.08 0.10 0.08 0.00 -2.50 0.00 0.00 55.73 53.49 1wgo s ARG 53 Cb -0.11 0.41 -0.03 0.00 0.06 0.00 0.00 34.95 35.27 1wgo s ARG 53 CO 0.00 -0.26 -0.20 -1.14 -2.50 0.00 0.00 175.30 171.21 1wgo s GLN 54 N -1.17 1.10 0.17 5.12 0.74 -1.26 -4.15 119.66 120.23 1wgo s GLN 54 Ca -0.11 -1.10 0.02 0.00 0.05 0.00 0.00 55.36 54.22 1wgo s GLN 54 Cb -0.02 -1.31 0.03 0.00 1.10 0.00 0.00 33.01 32.81 1wgo s GLN 54 CO 0.07 0.31 1.41 1.49 -0.55 0.00 0.00 175.29 178.02 1wgo h GLU 55 N 4.21 0.22 0.00 1.67 4.22 -1.42 -3.13 114.58 120.36 1wgo h GLU 55 Ca -0.45 -0.22 -0.08 0.00 0.08 0.00 0.00 59.36 58.69 1wgo h GLU 55 Cb 1.18 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1wgo h GLU 55 CO 0.40 0.93 -0.36 1.96 -2.18 0.00 0.00 179.01 179.76 1wgo h GLN 56 N 0.13 0.00 0.00 1.92 1.08 -1.88 -3.49 115.11 112.87 1wgo h GLN 56 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1wgo h GLN 56 Cb 1.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 1wgo h GLN 56 CO 0.13 0.36 0.00 0.41 -0.95 0.00 0.00 178.83 178.78 1wgo n GLY 57 N -0.15 0.35 0.05 3.46 0.00 -1.18 -4.84 105.19 102.88 1wgo n GLY 57 Ca -0.01 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 1wgo n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgo n ASP 58 N 0.00 3.07 -0.30 1.61 -0.08 -1.26 -4.53 116.55 115.06 1wgo n ASP 58 Ca 0.00 -0.04 0.14 0.00 -1.51 0.00 0.00 54.79 53.38 1wgo n ASP 58 Cb 0.00 0.11 0.27 0.00 2.34 0.00 0.00 41.12 43.84 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1wgo n VAL 59 N -2.66 -0.36 -0.80 5.18 3.14 -1.26 -4.47 118.33 117.10 1wgo n VAL 59 Ca -0.18 1.88 -0.33 0.00 -2.96 0.00 0.00 64.34 62.75 1wgo n VAL 59 Cb 0.73 -2.76 0.12 0.00 -1.06 0.00 0.00 33.84 30.87 1wgo n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgo n LEU 60 N -5.22 -0.14 -3.67 6.55 -0.00 -1.26 -5.00 117.00 108.25 1wgo n LEU 60 Ca 0.21 0.33 -0.30 0.00 -0.00 0.00 0.00 56.01 56.26 1wgo n LEU 60 Cb 0.69 -1.21 -0.15 0.00 -0.00 0.00 0.00 43.42 42.75 1wgo n LEU 60 CO -0.06 -3.60 -0.33 0.42 -0.00 0.00 0.00 177.39 173.82 1wgo s THR 61 N -2.39 0.57 -0.01 1.47 -4.23 -1.26 -4.97 115.64 104.82 1wgo s THR 61 Ca 0.57 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1wgo s THR 61 Cb -0.21 -1.45 -0.00 0.00 1.34 0.00 0.00 72.50 72.18 1wgo s THR 61 CO 0.67 -0.70 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.08 1wgo s THR 62 N 1.75 0.67 0.02 3.99 2.01 -1.26 -4.91 115.64 117.91 1wgo s THR 62 Ca 0.10 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1wgo s THR 62 Cb -0.17 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1wgo s THR 62 CO -0.28 0.19 1.20 -0.54 -0.69 0.00 0.00 174.62 174.50 1wgo s LYS 63 N -0.12 4.41 -0.11 4.92 1.02 -1.26 -3.40 119.74 125.20 1wgo s LYS 63 Ca 0.02 1.74 -0.02 0.00 0.02 0.00 0.00 55.97 57.73 1wgo s LYS 63 Cb -0.04 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1wgo s LYS 63 CO -0.00 -0.32 -0.03 0.71 -0.92 0.00 0.00 175.35 174.79 1wgo s TYR 64 N 1.44 3.05 -0.33 3.18 2.02 -0.91 -3.58 117.35 122.21 1wgo s TYR 64 Ca 0.58 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 1wgo s TYR 64 Cb -0.28 -1.83 0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1wgo s TYR 64 CO 0.27 0.26 0.04 -0.65 -1.57 0.00 0.00 175.55 173.90 1wgo s GLN 65 N -0.43 1.88 -0.21 -0.62 -0.21 0.18 -1.93 119.66 118.31 1wgo s GLN 65 Ca 0.07 -1.67 -0.23 0.00 0.02 0.00 0.00 55.36 53.55 1wgo s GLN 65 Cb -0.12 -3.22 -0.02 0.00 1.00 0.00 0.00 33.01 30.65 1wgo s GLN 65 CO 0.02 -0.85 0.73 0.08 -2.12 0.00 0.00 175.29 173.15 1wgo s VAL 66 N 1.04 4.93 -0.28 1.09 1.01 -1.10 -1.19 120.40 125.91 1wgo s VAL 66 Ca 0.04 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1wgo s VAL 66 Cb -0.20 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1wgo s VAL 66 CO -0.06 0.03 -0.06 -0.62 0.00 0.00 0.00 175.10 174.39 1wgo s ASP 67 N 1.28 4.63 0.07 3.32 -1.08 0.30 -3.68 116.67 121.51 1wgo s ASP 67 Ca 0.32 -1.38 -0.18 0.00 -0.52 0.00 0.00 52.55 50.79 1wgo s ASP 67 Cb -0.16 -1.61 -0.12 0.00 -1.46 0.00 0.00 42.92 39.57 1wgo s ASP 67 CO 0.10 -0.22 1.38 -0.07 0.52 0.00 0.00 175.17 176.87 1wgo h LEU 68 N 7.85 0.55 0.00 -1.34 -0.00 -1.82 -1.27 115.31 119.28 1wgo h LEU 68 Ca -0.19 -0.48 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 1wgo h LEU 68 Cb 1.05 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1wgo h LEU 68 CO 0.49 0.91 0.00 0.61 -0.00 0.00 0.00 178.44 180.45 1wgo n GLY 69 N 0.18 3.25 0.27 0.83 0.00 -1.25 -3.76 105.19 104.70 1wgo n GLY 69 Ca -0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 0.22 -0.61 0.00 1.61 3.58 -1.93 -3.44 116.42 115.84 1wgo h ASP 70 Ca 0.00 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1wgo h ASP 70 Cb 0.00 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 1wgo h ASP 70 CO 0.00 -0.41 -0.11 0.61 -2.88 0.00 0.00 179.24 176.45 1wgo n GLY 71 N -1.33 -0.05 3.41 -0.78 0.00 -1.26 -5.14 105.19 100.03 1wgo n GLY 71 Ca -0.08 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1wgo n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wgo s PHE 72 N 0.01 2.77 -0.14 1.61 5.36 -1.26 -5.09 117.98 121.24 1wgo s PHE 72 Ca 0.01 -0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 1wgo s PHE 72 Cb 0.04 -1.77 0.06 0.00 -0.34 0.00 0.00 43.02 41.01 1wgo s PHE 72 CO -0.01 -0.07 0.12 0.15 -1.46 0.00 0.00 175.22 173.95 1wgo s LYS 73 N -0.03 0.06 -0.02 10.12 1.02 -1.26 -3.57 119.74 126.06 1wgo s LYS 73 Ca -0.03 0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.03 1wgo s LYS 73 Cb -0.14 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.96 1wgo s LYS 73 CO 0.04 -0.55 0.20 0.00 -0.92 0.00 0.00 175.35 174.12 1wgo s ALA 74 N 2.21 -0.49 -0.22 5.17 0.00 -1.24 -5.11 121.76 122.08 1wgo s ALA 74 Ca 0.04 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1wgo s ALA 74 Cb -0.15 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.03 1wgo s ALA 74 CO -0.08 -0.20 -0.09 1.41 0.00 0.00 0.00 175.76 176.80 1wgo s MET 75 N -1.08 1.97 -0.22 0.00 1.75 -1.26 -2.71 119.30 117.75 1wgo s MET 75 Ca -0.12 -0.97 -0.06 0.00 -1.25 0.00 0.00 55.69 53.29 1wgo s MET 75 Cb -0.06 -2.55 -0.03 0.00 2.84 0.00 0.00 34.83 35.04 1wgo s MET 75 CO 0.02 -0.49 0.03 0.71 -0.65 0.00 0.00 175.02 174.64 1wgo s TYR 76 N 1.34 3.07 -0.15 4.11 2.02 -0.81 -4.97 117.35 121.96 1wgo s TYR 76 Ca -0.04 -0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 56.05 1wgo s TYR 76 Cb -0.17 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 1wgo s TYR 76 CO -0.07 -0.29 0.43 0.54 -1.57 0.00 0.00 175.55 174.58 1wgo s VAL 77 N 1.28 5.21 -1.12 0.71 0.11 -1.26 -2.14 120.40 123.18 1wgo s VAL 77 Ca 0.04 0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 59.90 1wgo s VAL 77 Cb -0.15 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1wgo s VAL 77 CO 0.02 0.32 0.95 0.59 -3.33 0.00 0.00 175.10 173.64 1wgo n ASN 78 N 3.87 -2.79 -0.14 3.54 5.03 -1.22 -4.91 115.26 118.65 1wgo n ASN 78 Ca -0.08 -0.55 -0.04 0.00 0.87 0.00 0.00 54.58 54.77 1wgo n ASN 78 Cb 0.51 -4.72 0.02 0.00 -1.02 0.00 0.00 39.78 34.58 1wgo n ASN 78 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1wgo h LEU 79 N -1.88 -0.62 -0.69 3.41 5.85 -1.85 -1.35 115.31 118.18 1wgo h LEU 79 Ca -0.54 0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.48 1wgo h LEU 79 Cb 1.32 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 42.57 1wgo h LEU 79 CO 0.47 -0.21 -0.17 0.71 -0.34 0.00 0.00 178.44 178.90 1wgo h THR 80 N -0.08 0.31 -0.41 1.05 1.35 -1.91 -0.52 112.91 112.71 1wgo h THR 80 Ca 0.22 -0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.16 1wgo h THR 80 Cb 0.41 0.31 -0.09 0.00 -1.73 0.00 0.00 68.15 67.05 1wgo h THR 80 CO -0.51 0.00 -0.33 0.25 -0.25 0.00 0.00 175.52 174.69 1wgo h LEU 81 N 0.00 -1.09 -2.38 3.87 6.46 -1.55 0.42 115.31 121.05 1wgo h LEU 81 Ca 0.33 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 58.28 1wgo h LEU 81 Cb 0.51 0.51 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1wgo h LEU 81 CO -0.71 -0.32 -0.04 0.71 -0.62 0.00 0.00 178.44 177.47 1wgo h THR 82 N -0.25 0.36 -3.71 1.05 1.35 -1.03 -3.45 112.91 107.23 1wgo h THR 82 Ca 0.18 -0.20 -0.23 0.00 -0.55 0.00 0.00 66.41 65.61 1wgo h THR 82 Cb 0.54 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1wgo h THR 82 CO -0.55 0.04 -0.29 0.61 -0.25 0.00 0.00 175.52 175.08 1wgo n GLY 83 N -0.97 -0.37 3.61 5.82 0.00 0.15 -4.93 105.19 108.50 1wgo n GLY 83 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.85 3.08 1.20 1.61 0.41 -1.26 -5.09 118.70 113.80 1wgo s GLU 84 Ca 0.00 -0.47 -0.19 0.00 -0.41 0.00 0.00 54.97 53.90 1wgo s GLU 84 Cb 0.00 -2.77 0.29 0.00 -1.78 0.00 0.00 34.13 29.87 1wgo s GLU 84 CO 0.00 0.58 1.11 -1.25 -0.49 0.00 0.00 175.26 175.21 1wgo s PRO 85 N -0.57 -1.20 -0.52 0.39 0.04 -1.26 -4.86 135.00 127.03 1wgo s PRO 85 Ca 0.09 -0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.01 1wgo s PRO 85 Cb -0.12 -1.60 0.13 0.00 0.04 0.00 0.00 34.50 32.96 1wgo s PRO 85 CO 0.02 -3.70 0.36 0.42 0.04 0.00 0.00 177.00 174.14 1wgo s ILE 86 N -3.01 3.87 -0.33 0.56 1.01 -0.82 -4.92 121.20 117.56 1wgo s ILE 86 Ca 0.71 -2.25 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 1wgo s ILE 86 Cb -0.10 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1wgo s ILE 86 CO 0.56 -0.80 1.06 -0.60 0.00 0.00 0.00 174.94 175.16 1wgo s ARG 87 N 0.81 4.03 -0.03 2.79 3.52 -1.26 -2.80 118.95 126.01 1wgo s ARG 87 Ca 0.10 0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 56.67 1wgo s ARG 87 Cb -0.22 -3.75 0.01 0.00 -1.56 0.00 0.00 34.95 29.43 1wgo s ARG 87 CO -0.03 -0.92 0.08 -1.58 -0.81 0.00 0.00 175.30 172.03 1wgo s HIS 88 N 3.66 -0.08 0.22 5.12 2.46 -0.85 -4.98 115.29 120.85 1wgo s HIS 88 Ca 0.45 0.22 0.09 0.00 0.47 0.00 0.00 55.06 56.29 1wgo s HIS 88 Cb -0.12 -0.02 -0.04 0.00 -0.13 0.00 0.00 32.58 32.27 1wgo s HIS 88 CO 0.16 -0.06 -0.04 0.50 -2.47 0.00 0.00 174.74 172.83 1wgo s ARG 89 N 0.32 2.21 0.30 2.88 3.52 -1.26 0.11 118.95 127.03 1wgo s ARG 89 Ca -0.02 -1.32 0.09 0.00 -0.13 0.00 0.00 55.73 54.35 1wgo s ARG 89 Cb -0.03 -2.18 -0.05 0.00 -1.56 0.00 0.00 34.95 31.13 1wgo s ARG 89 CO -0.01 0.40 0.03 0.71 -0.81 0.00 0.00 175.30 175.62 1wgo s TYR 90 N -2.00 2.65 -0.18 5.12 2.02 -1.26 -4.98 117.35 118.72 1wgo s TYR 90 Ca 0.28 -0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 1wgo s TYR 90 Cb -0.08 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 40.04 1wgo s TYR 90 CO 0.18 0.52 -0.33 -1.91 -1.57 0.00 0.00 175.55 172.44 1wgo n GLU 91 N -0.97 0.50 -4.42 -0.62 2.13 -1.26 -3.42 120.64 112.59 1wgo n GLU 91 Ca -0.05 0.21 -0.24 0.00 0.66 0.00 0.00 57.16 57.74 1wgo n GLU 91 Cb 0.60 -1.37 -0.09 0.00 0.27 0.00 0.00 31.44 30.85 1wgo n GLU 91 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1wgo s SER 92 N -6.25 3.85 0.93 4.31 0.01 -1.26 -4.51 113.70 110.78 1wgo s SER 92 Ca -0.29 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 1wgo s SER 92 Cb 0.06 -0.45 0.15 0.00 0.21 0.00 0.00 66.02 65.99 1wgo s SER 92 CO 0.41 0.02 1.09 -2.16 0.41 0.00 0.00 173.24 173.01 1wgo s PRO 93 N -3.56 0.97 0.00 12.44 0.04 -1.26 -4.90 135.00 138.72 1wgo s PRO 93 Ca 0.30 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1wgo s PRO 93 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1wgo s PRO 93 CO 0.16 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1wgo n GLY 94 N -1.11 4.09 3.69 0.56 0.00 -1.09 -5.04 105.19 106.28 1wgo n GLY 94 Ca 0.06 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1wgo n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wgo s ILE 95 N -1.29 2.53 0.22 -0.61 -1.09 -1.26 -4.23 121.20 115.48 1wgo s ILE 95 Ca 0.00 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 58.57 1wgo s ILE 95 Cb 0.00 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 1wgo s ILE 95 CO 0.00 0.00 0.27 -0.31 -1.23 0.00 0.00 174.94 173.67 1wgo s TYR 96 N 2.53 3.31 -0.33 3.97 2.02 0.53 -4.93 117.35 124.45 1wgo s TYR 96 Ca 0.79 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.48 1wgo s TYR 96 Cb -0.46 -1.52 0.09 0.00 -0.40 0.00 0.00 41.96 39.67 1wgo s TYR 96 CO 0.35 0.49 0.04 0.50 -1.57 0.00 0.00 175.55 175.36 1wgo s ARG 97 N -3.74 1.87 -0.14 -0.62 3.52 -1.25 -1.88 118.95 116.71 1wgo s ARG 97 Ca 0.33 -1.67 -0.07 0.00 -0.13 0.00 0.00 55.73 54.19 1wgo s ARG 97 Cb -0.09 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 1wgo s ARG 97 CO 0.27 -0.84 0.10 0.08 -0.81 0.00 0.00 175.30 174.10 1wgo s VAL 98 N 1.04 5.15 -0.01 7.11 1.01 0.23 -3.88 120.40 131.06 1wgo s VAL 98 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1wgo s VAL 98 Cb -0.20 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1wgo s VAL 98 CO -0.06 0.55 0.07 -0.55 0.00 0.00 0.00 175.10 175.12 1wgo s SER 99 N -0.45 0.03 -0.13 3.32 0.15 -0.48 0.02 113.70 116.17 1wgo s SER 99 Ca 0.11 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.66 1wgo s SER 99 Cb -0.12 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1wgo s SER 99 CO 0.02 -0.21 -0.18 0.54 1.20 0.00 0.00 173.24 174.61 1wgo s VAL 100 N -0.80 1.75 -0.06 4.45 0.11 -0.74 -0.54 120.40 124.58 1wgo s VAL 100 Ca -0.09 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1wgo s VAL 100 Cb -0.05 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1wgo s VAL 100 CO 0.00 0.49 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.53 1wgo s ARG 101 N 0.95 2.63 -0.04 1.54 3.00 -0.33 -1.35 118.95 125.35 1wgo s ARG 101 Ca -0.06 -0.68 -0.02 0.00 -1.00 0.00 0.00 55.73 53.97 1wgo s ARG 101 Cb -0.15 -2.42 0.02 0.00 0.00 0.00 0.00 34.95 32.40 1wgo s ARG 101 CO -0.02 0.58 0.09 0.00 0.00 0.00 0.00 175.30 175.94 1wgo s ALA 102 N -0.60 -0.15 -0.24 6.12 0.00 0.11 0.48 121.76 127.49 1wgo s ALA 102 Ca 0.09 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 1wgo s ALA 102 Cb -0.11 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 22.81 1wgo s ALA 102 CO 0.01 -0.10 0.09 -2.00 0.00 0.00 0.00 175.76 173.76 1wgo s GLU 103 N 0.73 0.39 0.19 0.00 2.12 -1.24 -0.22 118.70 120.68 1wgo s GLU 103 Ca -0.06 -0.49 0.07 0.00 0.36 0.00 0.00 54.97 54.85 1wgo s GLU 103 Cb -0.08 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 1wgo s GLU 103 CO -0.03 -0.82 0.03 1.21 -0.54 0.00 0.00 175.26 175.11 1wgo s ASN 104 N 1.95 4.91 0.22 -1.70 3.84 0.24 -4.55 114.94 119.86 1wgo s ASN 104 Ca 0.05 -0.37 -0.18 0.00 0.21 0.00 0.00 52.86 52.57 1wgo s ASN 104 Cb -0.17 -1.09 0.23 0.00 -0.55 0.00 0.00 41.25 39.67 1wgo s ASN 104 CO -0.20 0.07 1.56 0.74 -2.79 0.00 0.00 177.10 176.48 1wgo h THR 105 N 2.26 0.04 0.44 -5.21 2.02 -1.96 -2.05 112.91 108.45 1wgo h THR 105 Ca -0.47 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1wgo h THR 105 Cb 1.21 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1wgo h THR 105 CO 0.59 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 176.23 1wgo h ALA 106 N 1.34 -1.12 -3.00 6.16 0.00 -1.86 -3.48 119.26 117.30 1wgo h ALA 106 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wgo h ALA 106 Cb 0.59 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wgo h ALA 106 CO -0.92 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 177.65 1wgo n GLY 107 N -1.33 4.66 3.20 0.00 0.00 -0.77 -4.79 105.19 106.16 1wgo n GLY 107 Ca -0.08 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.79 0.07 0.04 1.61 -3.43 -1.26 0.83 115.29 112.37 1wgo s HIS 108 Ca 0.00 -0.38 -0.03 0.00 -0.80 0.00 0.00 55.06 53.85 1wgo s HIS 108 Cb 0.00 -0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 1wgo s HIS 108 CO 0.00 -0.50 0.03 0.16 -2.00 0.00 0.00 174.74 172.43 1wgo s ASP 109 N -2.45 0.29 -0.11 7.38 1.47 0.70 -4.69 116.67 119.25 1wgo s ASP 109 Ca -0.00 -0.67 -0.24 0.00 1.18 0.00 0.00 52.55 52.81 1wgo s ASP 109 Cb 0.02 0.19 0.06 0.00 -0.34 0.00 0.00 42.92 42.85 1wgo s ASP 109 CO -0.07 -0.49 0.58 -0.70 0.68 0.00 0.00 175.17 175.17 1wgo s GLU 110 N -2.78 0.86 0.23 2.11 2.12 -1.26 0.06 118.70 120.03 1wgo s GLU 110 Ca -0.04 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 1wgo s GLU 110 Cb -0.00 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 1wgo s GLU 110 CO -0.06 -0.21 0.25 0.00 -0.54 0.00 0.00 175.26 174.70 1wgo s ALA 111 N -0.67 0.78 0.02 6.30 0.00 -0.45 -4.92 121.76 122.81 1wgo s ALA 111 Ca -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.36 1wgo s ALA 111 Cb -0.03 1.29 -0.01 0.00 0.00 0.00 0.00 23.12 24.38 1wgo s ALA 111 CO 0.06 -0.68 0.09 0.08 0.00 0.00 0.00 175.76 175.31 1wgo s VAL 112 N -4.03 0.10 -0.18 0.00 1.01 -1.26 -1.79 120.40 114.25 1wgo s VAL 112 Ca 0.34 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1wgo s VAL 112 Cb 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.96 1wgo s VAL 112 CO 0.12 -0.46 0.53 -0.22 0.00 0.00 0.00 175.10 175.07 1wgo s LEU 113 N -1.59 -0.02 -0.12 3.92 0.20 0.10 -4.86 118.68 116.31 1wgo s LEU 113 Ca -0.13 0.99 -0.03 0.00 0.69 0.00 0.00 54.13 55.66 1wgo s LEU 113 Cb -0.07 1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 47.51 1wgo s LEU 113 CO -0.00 -0.23 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.44 1wgo s PHE 114 N 0.09 3.07 -0.24 5.38 0.40 -1.26 -0.60 117.98 124.82 1wgo s PHE 114 Ca -0.02 -0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1wgo s PHE 114 Cb -0.04 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.63 1wgo s PHE 114 CO 0.02 0.21 -0.04 0.08 0.70 0.00 0.00 175.22 176.19 1wgo s VAL 115 N -0.26 3.26 -0.36 -0.44 1.01 -0.79 -4.96 120.40 117.87 1wgo s VAL 115 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1wgo s VAL 115 Cb -0.13 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 1wgo s VAL 115 CO 0.02 0.32 0.25 -1.58 0.00 0.00 0.00 175.10 174.12 1wgo s GLN 116 N 1.43 3.30 -0.27 2.72 0.74 -1.26 -0.35 119.66 125.98 1wgo s GLN 116 Ca 0.04 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 1wgo s GLN 116 Cb -0.15 -3.84 0.04 0.00 1.10 0.00 0.00 33.01 30.16 1wgo s GLN 116 CO -0.03 -0.54 -0.04 0.54 -0.55 0.00 0.00 175.29 174.66 1wgo s VAL 117 N 1.70 2.84 1.08 1.34 0.11 -1.26 -3.29 120.40 122.91 1wgo s VAL 117 Ca 0.05 -1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 57.73 1wgo s VAL 117 Cb -0.18 -2.53 0.12 0.00 -1.53 0.00 0.00 36.38 32.26 1wgo s VAL 117 CO 0.10 0.06 0.32 -0.24 -3.33 0.00 0.00 175.10 172.02 1wgo n SER 118 N 4.63 -2.07 -4.76 3.54 2.88 -0.56 -2.69 113.62 114.59 1wgo n SER 118 Ca -0.15 0.01 -0.22 0.00 -1.33 0.00 0.00 58.87 57.18 1wgo n SER 118 Cb 0.45 -1.09 -0.05 0.00 -0.75 0.00 0.00 64.21 62.76 1wgo n SER 118 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgo s GLY 119 N -2.01 1.77 0.00 0.46 0.00 -1.26 -4.05 107.32 102.23 1wgo s GLY 119 Ca 0.59 -1.69 0.13 0.00 0.00 0.00 0.00 44.72 43.74 1wgo s GLY 119 CO 0.66 -1.66 1.18 -1.55 0.00 0.00 0.00 173.10 171.73 1wgo n PRO 120 N -1.17 0.49 -2.66 2.90 -0.04 -1.26 -4.84 135.00 128.41 1wgo n PRO 120 Ca -0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 1wgo n PRO 120 Cb 0.60 -1.41 0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1wgo n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgo n SER 121 N -0.91 -2.59 0.07 3.54 7.64 -1.26 -4.97 113.62 115.14 1wgo n SER 121 Ca 0.09 -0.33 -0.16 0.00 1.01 0.00 0.00 58.87 59.49 1wgo n SER 121 Cb 0.04 -2.91 -0.14 0.00 -1.01 0.00 0.00 64.21 60.19 1wgo n SER 121 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wgo h SER 122 N -0.88 0.36 0.00 6.43 0.02 -2.04 -3.57 113.55 113.87 1wgo h SER 122 Ca -0.31 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1wgo h SER 122 Cb 1.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1wgo h SER 122 CO 0.25 1.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.93