#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgo n SER 2 N 0.00 -3.05 -4.62 1.61 7.64 -1.26 -4.88 113.62 109.06 1wgo n SER 2 Ca 0.00 -0.94 -0.36 0.00 1.01 0.00 0.00 58.87 58.58 1wgo n SER 2 Cb 0.00 -3.18 0.08 0.00 -1.01 0.00 0.00 64.21 60.11 1wgo n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgo n SER 3 N -2.79 0.57 -3.64 6.43 7.64 -1.26 -5.03 113.62 115.56 1wgo n SER 3 Ca -0.02 0.69 -0.19 0.00 1.01 0.00 0.00 58.87 60.36 1wgo n SER 3 Cb 0.55 -1.41 -0.09 0.00 -1.01 0.00 0.00 64.21 62.25 1wgo n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgo s GLY 4 N -1.59 2.18 -0.13 0.23 0.00 -1.26 -5.17 107.32 101.57 1wgo s GLY 4 Ca 0.74 -1.90 -0.17 0.00 0.00 0.00 0.00 44.72 43.38 1wgo s GLY 4 CO 0.49 -1.50 0.45 -0.45 0.00 0.00 0.00 173.10 172.09 1wgo s SER 5 N -3.36 -0.44 -0.03 1.64 0.15 -1.26 -5.17 113.70 105.24 1wgo s SER 5 Ca 0.38 0.74 -0.04 0.00 0.70 0.00 0.00 55.95 57.73 1wgo s SER 5 Cb 0.03 0.78 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1wgo s SER 5 CO 0.23 -0.27 0.10 -0.44 1.20 0.00 0.00 173.24 174.06 1wgo s SER 6 N -0.22 -0.05 0.00 5.45 0.01 -1.26 -5.16 113.70 112.48 1wgo s SER 6 Ca -0.04 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wgo s SER 6 Cb -0.03 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1wgo s SER 6 CO 0.02 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1wgo n GLY 7 N 2.57 0.85 1.02 3.44 0.00 -1.26 -5.10 105.19 106.72 1wgo n GLY 7 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1wgo n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgo n GLU 9 N -2.45 -5.24 -3.41 0.00 4.07 -1.26 -4.97 120.64 107.37 1wgo n GLU 9 Ca 0.00 0.85 -0.40 0.00 -0.06 0.00 0.00 57.16 57.55 1wgo n GLU 9 Cb 0.22 -5.82 -0.09 0.00 -0.06 0.00 0.00 31.44 25.69 1wgo n GLU 9 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1wgo s GLY 10 N -4.05 1.89 -0.39 8.31 0.00 -1.26 -5.01 107.32 106.81 1wgo s GLY 10 Ca 0.14 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1wgo s GLY 10 CO 0.72 0.96 0.35 -0.32 0.00 0.00 0.00 173.10 174.81 1wgo s GLY 11 N 1.69 0.48 -0.90 0.20 0.00 -1.26 -5.07 107.32 102.46 1wgo s GLY 11 Ca 0.13 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.05 1wgo s GLY 11 CO 0.11 2.46 1.02 0.14 0.00 0.00 0.00 173.10 176.82 1wgo s VAL 12 N 0.85 5.03 0.03 1.40 1.01 -1.26 -5.02 120.40 122.44 1wgo s VAL 12 Ca 0.23 -1.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.08 1wgo s VAL 12 Cb -0.10 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 1wgo s VAL 12 CO -0.07 -1.36 0.73 -0.62 0.00 0.00 0.00 175.10 173.78 1wgo s ASP 13 N 3.13 7.16 0.29 3.32 2.15 -1.26 -5.07 116.67 126.39 1wgo s ASP 13 Ca 0.28 1.38 0.06 0.00 0.43 0.00 0.00 52.55 54.70 1wgo s ASP 13 Cb -0.06 -2.45 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 1wgo s ASP 13 CO -0.09 0.03 -0.03 -0.04 -0.17 0.00 0.00 175.17 174.87 1wgo s MET 14 N -0.06 1.58 0.47 4.34 -1.94 -1.26 -5.17 119.30 117.26 1wgo s MET 14 Ca 0.37 -1.83 0.05 0.00 -1.71 0.00 0.00 55.69 52.57 1wgo s MET 14 Cb -0.20 -1.09 -0.04 0.00 2.01 0.00 0.00 34.83 35.52 1wgo s MET 14 CO 0.22 -0.03 0.08 -0.65 -0.01 0.00 0.00 175.02 174.63 1wgo s GLN 15 N -3.77 2.13 -1.00 2.03 -1.52 -1.26 -5.06 119.66 111.21 1wgo s GLN 15 Ca 0.31 -2.17 -0.20 0.00 -1.95 0.00 0.00 55.36 51.35 1wgo s GLN 15 Cb 0.05 -1.71 0.09 0.00 -0.22 0.00 0.00 33.01 31.23 1wgo s GLN 15 CO 0.13 -0.25 1.32 -0.65 -0.25 0.00 0.00 175.29 175.59 1wgo s GLN 16 N -3.87 3.64 -0.21 2.91 -0.21 -1.26 -4.94 119.66 115.71 1wgo s GLN 16 Ca 0.24 -1.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.08 1wgo s GLN 16 Cb 0.04 -5.16 0.06 0.00 1.00 0.00 0.00 33.01 28.95 1wgo s GLN 16 CO 0.13 -1.99 -0.02 -1.54 -2.12 0.00 0.00 175.29 169.75 1wgo s SER 17 N 4.22 3.36 -0.54 5.90 1.04 -1.26 -5.01 113.70 121.41 1wgo s SER 17 Ca 0.40 -0.98 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1wgo s SER 17 Cb -0.02 -0.91 0.23 0.00 0.10 0.00 0.00 66.02 65.41 1wgo s SER 17 CO -0.08 -0.26 2.30 0.00 0.98 0.00 0.00 173.24 176.18 1wgo n GLN 18 N 4.85 2.37 -1.77 4.02 6.02 -1.26 -4.98 117.38 126.62 1wgo n GLN 18 Ca -0.11 -2.55 -0.32 0.00 -0.01 0.00 0.00 57.00 54.02 1wgo n GLN 18 Cb 0.46 -2.06 0.03 0.00 1.02 0.00 0.00 30.24 29.69 1wgo n GLN 18 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wgo s VAL 19 N -3.29 3.85 -0.58 5.09 0.11 -1.26 -5.02 120.40 119.29 1wgo s VAL 19 Ca 0.51 0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 60.29 1wgo s VAL 19 Cb 0.38 -3.34 0.15 0.00 -1.53 0.00 0.00 36.38 32.04 1wgo s VAL 19 CO -0.16 -0.65 0.38 -1.10 -3.33 0.00 0.00 175.10 170.23 1wgo s GLN 20 N -4.55 2.37 -0.22 1.54 -0.21 -1.26 -5.07 119.66 112.26 1wgo s GLN 20 Ca 0.61 -2.52 -0.29 0.00 0.02 0.00 0.00 55.36 53.18 1wgo s GLN 20 Cb -0.15 -3.61 0.01 0.00 1.00 0.00 0.00 33.01 30.26 1wgo s GLN 20 CO 0.46 -1.15 1.01 -0.51 -2.12 0.00 0.00 175.29 172.99 1wgo s LEU 21 N -0.07 4.11 -0.12 2.90 1.43 -1.26 -5.03 118.68 120.64 1wgo s LEU 21 Ca 0.17 1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1wgo s LEU 21 Cb -0.22 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1wgo s LEU 21 CO -0.03 -0.64 -0.12 -1.10 0.23 0.00 0.00 176.35 174.70 1wgo s GLN 22 N 3.08 3.27 -0.01 1.70 -0.21 -1.26 -5.12 119.66 121.11 1wgo s GLN 22 Ca 0.43 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 55.16 1wgo s GLN 22 Cb -0.15 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1wgo s GLN 22 CO 0.07 0.30 0.02 0.00 -2.12 0.00 0.00 175.29 173.55 1wgo n PRO 24 N 1.44 -1.29 -0.74 0.00 -0.04 -1.26 -5.03 135.00 128.09 1wgo n PRO 24 Ca -0.15 -0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.80 1wgo n PRO 24 Cb 0.53 -0.21 0.25 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.40 0.01 1.53 0.05 -1.26 -5.07 118.68 114.34 1wgo s LEU 25 Ca 0.09 1.07 0.01 0.00 0.05 0.00 0.00 54.13 55.35 1wgo s LEU 25 Cb -0.01 -2.85 -0.01 0.00 -2.05 0.00 0.00 46.19 41.27 1wgo s LEU 25 CO 0.07 -4.31 -0.04 0.42 -0.55 0.00 0.00 176.35 171.94 1wgo s THR 26 N -2.63 0.30 0.77 5.48 -4.23 -1.26 -5.05 115.64 109.02 1wgo s THR 26 Ca 0.68 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 1wgo s THR 26 Cb -0.17 -0.31 0.06 0.00 1.34 0.00 0.00 72.50 73.41 1wgo s THR 26 CO 0.60 -0.10 1.09 -2.16 -0.54 0.00 0.00 174.62 173.51 1wgo s PRO 27 N -0.57 2.24 -0.02 3.99 0.04 -1.26 -4.68 135.00 134.74 1wgo s PRO 27 Ca -0.03 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1wgo s PRO 27 Cb -0.04 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1wgo s PRO 27 CO -0.00 -1.66 1.47 -1.25 0.04 0.00 0.00 177.00 175.60 1wgo s PRO 28 N -4.90 4.25 0.00 0.56 0.04 -1.26 -4.78 135.00 128.90 1wgo s PRO 28 Ca 0.61 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.69 1wgo s PRO 28 Cb -0.17 -3.67 -0.01 0.00 0.04 0.00 0.00 34.50 30.69 1wgo s PRO 28 CO 0.56 -0.66 -0.05 1.03 0.04 0.00 0.00 177.00 177.93 1wgo s ARG 29 N 2.84 0.36 -0.88 4.56 1.81 -1.26 -4.59 118.95 121.78 1wgo s ARG 29 Ca 0.66 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.42 1wgo s ARG 29 Cb -0.32 -0.30 0.00 0.00 -0.45 0.00 0.00 34.95 33.89 1wgo s ARG 29 CO 0.27 0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.37 1wgo n GLY 30 N 2.71 0.47 3.64 -3.53 0.00 -1.26 -2.18 105.19 105.04 1wgo n GLY 30 Ca -0.15 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.44 3.92 -0.05 0.99 1.98 -1.26 -3.97 118.68 117.85 1wgo s LEU 31 Ca 0.00 1.16 -0.29 0.00 -2.89 0.00 0.00 54.13 52.10 1wgo s LEU 31 Cb 0.00 -3.54 0.07 0.00 0.66 0.00 0.00 46.19 43.37 1wgo s LEU 31 CO 0.00 -0.97 0.64 -1.58 -1.89 0.00 0.00 176.35 172.55 1wgo s GLN 32 N 3.90 1.02 0.08 1.98 0.74 -1.26 -4.22 119.66 121.91 1wgo s GLN 32 Ca 0.51 0.22 -0.01 0.00 0.05 0.00 0.00 55.36 56.13 1wgo s GLN 32 Cb -0.15 0.48 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 1wgo s GLN 32 CO 0.19 -0.31 0.26 0.14 -0.55 0.00 0.00 175.29 175.02 1wgo s VAL 33 N -1.18 5.32 0.13 1.34 -7.23 -1.26 -4.09 120.40 113.42 1wgo s VAL 33 Ca -0.11 -0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 59.79 1wgo s VAL 33 Cb -0.01 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 1wgo s VAL 33 CO 0.09 0.11 0.04 -0.55 -0.31 0.00 0.00 175.10 174.49 1wgo s SER 34 N -2.48 0.40 -0.18 4.85 0.15 0.23 -4.95 113.70 111.73 1wgo s SER 34 Ca 0.37 -1.19 -0.03 0.00 0.70 0.00 0.00 55.95 55.80 1wgo s SER 34 Cb -0.13 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1wgo s SER 34 CO 0.27 -0.71 -0.06 -0.63 1.20 0.00 0.00 173.24 173.31 1wgo s ILE 35 N -4.00 3.43 -0.74 6.45 1.01 -1.26 0.16 121.20 126.24 1wgo s ILE 35 Ca 0.23 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1wgo s ILE 35 Cb 0.07 -2.52 -0.22 0.00 0.01 0.00 0.00 42.46 39.81 1wgo s ILE 35 CO 0.01 0.46 1.74 1.67 0.00 0.00 0.00 174.94 178.83 1wgo n GLN 36 N 4.16 0.00 0.00 2.79 -0.06 -0.97 -4.17 117.38 119.13 1wgo n GLN 36 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1wgo n GLN 36 Cb 0.52 -0.87 0.00 0.00 -4.06 0.00 0.00 30.24 25.83 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 4.34 -2.65 3.63 1.69 0.00 -1.26 -4.82 105.19 106.12 1wgo n GLY 37 Ca 0.50 -1.30 -0.46 0.00 0.00 0.00 0.00 46.02 44.75 1wgo n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wgo n GLU 38 N -1.35 2.11 -4.20 1.61 0.00 -1.26 -4.96 120.64 112.59 1wgo n GLU 38 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 57.16 57.63 1wgo n GLU 38 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 31.44 28.55 1wgo n GLU 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wgo s ALA 39 N 5.55 3.28 0.10 -1.84 0.00 -1.26 -5.05 121.76 122.54 1wgo s ALA 39 Ca 0.96 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1wgo s ALA 39 Cb -0.59 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1wgo s ALA 39 CO 0.46 0.41 0.00 0.28 0.00 0.00 0.00 175.76 176.91 1wgo n VAL 40 N -0.45 0.61 -3.86 0.00 0.31 -1.26 -5.07 118.33 108.60 1wgo n VAL 40 Ca -0.09 0.20 -0.19 0.00 -0.01 0.00 0.00 64.34 64.26 1wgo n VAL 40 Cb 0.56 -1.30 -0.17 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.39 0.17 3.52 0.00 -1.26 -4.50 121.76 118.08 1wgo s ALA 41 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1wgo s ALA 41 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1wgo s ALA 41 CO 0.00 -0.22 0.29 0.08 0.00 0.00 0.00 175.76 175.91 1wgo s VAL 42 N 1.39 5.23 0.12 0.00 1.01 -0.38 -4.83 120.40 122.94 1wgo s VAL 42 Ca -0.04 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1wgo s VAL 42 Cb -0.13 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1wgo s VAL 42 CO -0.03 -0.15 0.61 -0.13 0.00 0.00 0.00 175.10 175.40 1wgo s ARG 43 N -3.39 4.19 -1.03 2.72 3.00 -1.26 -1.01 118.95 122.17 1wgo s ARG 43 Ca 0.34 0.74 -0.24 0.00 0.00 0.00 0.00 55.73 56.57 1wgo s ARG 43 Cb -0.10 -3.11 -0.07 0.00 0.00 0.00 0.00 34.95 31.67 1wgo s ARG 43 CO 0.28 0.56 1.94 -1.25 0.00 0.00 0.00 175.30 176.83 1wgo s PRO 44 N -1.45 2.53 0.00 3.54 0.04 -1.26 -2.17 135.00 136.23 1wgo s PRO 44 Ca 0.34 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1wgo s PRO 44 Cb -0.18 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1wgo s PRO 44 CO 0.20 -3.65 0.00 0.41 0.04 0.00 0.00 177.00 174.00 1wgo n GLY 45 N 6.38 0.98 3.80 0.56 0.00 0.54 -4.81 105.19 112.63 1wgo n GLY 45 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 1wgo n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgo s GLU 46 N 0.00 4.19 -0.32 1.61 -1.05 -0.92 -4.59 118.70 117.63 1wgo s GLU 46 Ca 0.00 1.30 -0.26 0.00 -0.15 0.00 0.00 54.97 55.86 1wgo s GLU 46 Cb 0.00 -2.36 0.01 0.00 -0.44 0.00 0.00 34.13 31.34 1wgo s GLU 46 CO 0.00 -0.08 0.94 -0.51 0.95 0.00 0.00 175.26 176.56 1wgo s ASP 47 N -1.89 6.80 -0.12 0.83 1.11 -1.26 -3.86 116.67 118.29 1wgo s ASP 47 Ca 0.60 0.85 -0.10 0.00 0.18 0.00 0.00 52.55 54.08 1wgo s ASP 47 Cb -0.15 -2.48 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1wgo s ASP 47 CO 0.20 -0.76 0.20 0.54 1.18 0.00 0.00 175.17 176.53 1wgo s VAL 48 N 3.33 5.39 -0.15 -1.27 0.11 0.17 -4.84 120.40 123.14 1wgo s VAL 48 Ca 0.39 0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 59.66 1wgo s VAL 48 Cb -0.13 -3.49 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1wgo s VAL 48 CO 0.14 0.56 0.29 -0.76 -3.33 0.00 0.00 175.10 172.00 1wgo s LEU 49 N -0.64 4.25 -0.29 2.54 2.01 -1.26 -2.03 118.68 123.26 1wgo s LEU 49 Ca 0.15 0.52 -0.04 0.00 0.01 0.00 0.00 54.13 54.77 1wgo s LEU 49 Cb -0.13 -2.37 0.03 0.00 0.01 0.00 0.00 46.19 43.73 1wgo s LEU 49 CO 0.05 0.12 0.03 -0.36 1.01 0.00 0.00 176.35 177.19 1wgo s PHE 50 N 0.38 3.17 0.04 0.29 0.08 -0.94 -2.30 117.98 118.69 1wgo s PHE 50 Ca 0.17 -1.38 -0.27 0.00 0.12 0.00 0.00 56.93 55.57 1wgo s PHE 50 Cb -0.13 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1wgo s PHE 50 CO 0.04 -0.69 0.85 0.08 -0.10 0.00 0.00 175.22 175.40 1wgo s VAL 51 N 1.39 4.74 -0.06 -0.44 1.01 0.43 -1.44 120.40 126.02 1wgo s VAL 51 Ca -0.00 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.82 1wgo s VAL 51 Cb -0.18 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 1wgo s VAL 51 CO 0.00 0.30 -0.21 0.54 0.00 0.00 0.00 175.10 175.73 1wgo s VAL 52 N 0.26 1.78 0.06 2.92 0.11 -1.26 -0.60 120.40 123.66 1wgo s VAL 52 Ca 0.43 -0.89 -0.20 0.00 -2.93 0.00 0.00 61.98 58.39 1wgo s VAL 52 Cb -0.21 -1.52 0.04 0.00 -1.53 0.00 0.00 36.38 33.16 1wgo s VAL 52 CO 0.25 0.50 0.46 -0.60 -3.33 0.00 0.00 175.10 172.38 1wgo s ARG 53 N 0.08 1.00 0.27 1.54 3.52 -1.26 -4.82 118.95 119.28 1wgo s ARG 53 Ca -0.08 -0.35 0.10 0.00 -0.13 0.00 0.00 55.73 55.27 1wgo s ARG 53 Cb -0.14 0.45 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 1wgo s ARG 53 CO 0.04 -0.36 -0.17 -0.65 -0.81 0.00 0.00 175.30 173.36 1wgo s GLN 54 N -2.66 1.60 -0.09 5.12 -0.21 -1.26 -4.04 119.66 118.12 1wgo s GLN 54 Ca -0.04 -1.75 0.20 0.00 0.02 0.00 0.00 55.36 53.79 1wgo s GLN 54 Cb -0.00 -1.57 -0.30 0.00 1.00 0.00 0.00 33.01 32.14 1wgo s GLN 54 CO -0.04 0.26 0.33 -1.91 -2.12 0.00 0.00 175.29 171.81 1wgo n GLU 55 N -0.58 0.69 -0.00 2.91 4.07 -0.93 -4.62 120.64 122.19 1wgo n GLU 55 Ca -0.06 -0.13 -0.00 0.00 -0.06 0.00 0.00 57.16 56.91 1wgo n GLU 55 Cb 0.61 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.48 1wgo n GLU 55 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1wgo n GLN 56 N -2.40 3.82 -2.35 5.31 7.27 -1.12 -4.95 117.38 122.96 1wgo n GLN 56 Ca -0.14 -0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.54 1wgo n GLN 56 Cb 0.75 -1.02 -0.03 0.00 2.41 0.00 0.00 30.24 32.35 1wgo n GLN 56 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1wgo s GLY 57 N -3.11 0.64 -0.25 1.69 0.00 -1.26 -4.76 107.32 100.27 1wgo s GLY 57 Ca -0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1wgo s GLY 57 CO 0.03 2.96 -0.24 1.34 0.00 0.00 0.00 173.10 177.19 1wgo n ASP 58 N 10.73 2.03 0.01 1.64 2.03 -1.26 -4.58 116.55 127.15 1wgo n ASP 58 Ca 0.13 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1wgo n ASP 58 Cb 0.50 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1wgo n ASP 58 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wgo n VAL 59 N -3.39 0.07 -1.28 5.18 3.14 -1.26 -4.95 118.33 115.84 1wgo n VAL 59 Ca -0.45 0.02 -0.50 0.00 -2.96 0.00 0.00 64.34 60.45 1wgo n VAL 59 Cb 0.95 -0.98 -0.07 0.00 -1.06 0.00 0.00 33.84 32.69 1wgo n VAL 59 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1wgo n LEU 60 N -2.83 0.73 -4.69 6.55 4.77 -1.26 -4.83 117.00 115.45 1wgo n LEU 60 Ca 0.00 0.89 -0.42 0.00 -0.03 0.00 0.00 56.01 56.44 1wgo n LEU 60 Cb 0.21 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1wgo n LEU 60 CO 0.00 -0.78 0.77 0.28 -1.33 0.00 0.00 177.39 176.33 1wgo s THR 61 N 1.82 4.79 -0.01 -5.08 -1.32 -1.26 -4.97 115.64 109.61 1wgo s THR 61 Ca 0.77 2.00 0.03 0.00 -1.21 0.00 0.00 61.69 63.28 1wgo s THR 61 Cb -1.09 -4.30 -0.01 0.00 -1.51 0.00 0.00 72.50 65.60 1wgo s THR 61 CO 0.58 0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 172.00 1wgo s THR 62 N 2.05 0.85 0.01 5.08 2.01 -1.26 -4.94 115.64 119.44 1wgo s THR 62 Ca 0.47 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1wgo s THR 62 Cb -0.18 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1wgo s THR 62 CO 0.17 0.24 1.31 -0.75 -0.69 0.00 0.00 174.62 174.90 1wgo s LYS 63 N -0.17 4.33 -0.10 4.92 2.20 -1.26 -4.21 119.74 125.45 1wgo s LYS 63 Ca 0.03 1.87 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 1wgo s LYS 63 Cb -0.05 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1wgo s LYS 63 CO -0.00 -0.47 -0.23 0.71 -0.36 0.00 0.00 175.35 175.00 1wgo s TYR 64 N 1.94 2.49 0.07 4.03 2.02 -1.13 -3.63 117.35 123.14 1wgo s TYR 64 Ca 0.61 -1.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.17 1wgo s TYR 64 Cb -0.30 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.53 1wgo s TYR 64 CO 0.26 -0.40 0.44 -0.65 -1.57 0.00 0.00 175.55 173.63 1wgo s GLN 65 N 0.34 3.87 -0.31 -0.62 -1.52 0.59 -0.99 119.66 121.02 1wgo s GLN 65 Ca -0.18 0.34 0.02 0.00 -1.95 0.00 0.00 55.36 53.59 1wgo s GLN 65 Cb -0.18 -3.06 0.08 0.00 -0.22 0.00 0.00 33.01 29.63 1wgo s GLN 65 CO 0.08 0.59 0.00 0.08 -0.25 0.00 0.00 175.29 175.80 1wgo s VAL 66 N -1.30 2.47 -0.31 1.09 1.01 -0.00 -3.60 120.40 119.76 1wgo s VAL 66 Ca 0.31 -1.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.34 1wgo s VAL 66 Cb -0.15 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1wgo s VAL 66 CO 0.17 -0.33 0.03 -1.81 0.00 0.00 0.00 175.10 173.16 1wgo s ASP 67 N 1.14 5.01 -0.06 3.32 1.11 -1.16 -2.34 116.67 123.69 1wgo s ASP 67 Ca 0.01 -1.21 -0.21 0.00 0.18 0.00 0.00 52.55 51.32 1wgo s ASP 67 Cb -0.20 -1.76 -0.16 0.00 1.07 0.00 0.00 42.92 41.86 1wgo s ASP 67 CO -0.05 -0.28 0.87 -0.07 1.18 0.00 0.00 175.17 176.82 1wgo h LEU 68 N 8.07 -0.15 0.00 1.23 -0.00 -1.76 -2.56 115.31 120.15 1wgo h LEU 68 Ca -0.22 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.25 1wgo h LEU 68 Cb 1.07 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1wgo h LEU 68 CO 0.56 0.43 0.00 0.61 -0.00 0.00 0.00 178.44 180.04 1wgo n GLY 69 N 0.68 -0.99 2.50 0.83 0.00 -1.21 -3.39 105.19 103.61 1wgo n GLY 69 Ca -0.08 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 1wgo n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgo n ASP 70 N 0.00 0.45 0.00 1.61 -0.08 -1.26 -4.86 116.55 112.41 1wgo n ASP 70 Ca 0.00 -2.61 0.00 0.00 -1.51 0.00 0.00 54.79 50.67 1wgo n ASP 70 Cb 0.00 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 42.85 1wgo n ASP 70 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wgo n GLY 71 N 2.53 0.84 3.16 0.27 0.00 -1.26 -5.02 105.19 105.71 1wgo n GLY 71 Ca 0.27 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 2.51 -0.18 1.61 5.36 -1.26 -5.10 117.98 120.91 1wgo s PHE 72 Ca 0.00 -1.19 -0.04 0.00 -0.96 0.00 0.00 56.93 54.74 1wgo s PHE 72 Cb 0.00 -1.71 0.06 0.00 -0.34 0.00 0.00 43.02 41.03 1wgo s PHE 72 CO 0.00 -0.54 0.06 0.15 -1.46 0.00 0.00 175.22 173.44 1wgo s LYS 73 N 0.71 0.36 0.26 10.12 1.02 -1.26 -2.93 119.74 128.02 1wgo s LYS 73 Ca -0.10 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 1wgo s LYS 73 Cb -0.16 -1.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1wgo s LYS 73 CO 0.01 -0.65 0.49 0.00 -0.92 0.00 0.00 175.35 174.28 1wgo s ALA 74 N 2.00 -0.17 -0.11 5.17 0.00 -0.99 -5.08 121.76 122.58 1wgo s ALA 74 Ca 0.01 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1wgo s ALA 74 Cb -0.16 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1wgo s ALA 74 CO -0.08 -0.85 -0.19 1.41 0.00 0.00 0.00 175.76 176.05 1wgo s MET 75 N -3.90 2.57 -0.27 0.00 1.75 -1.26 -0.82 119.30 117.37 1wgo s MET 75 Ca 0.23 -0.70 -0.09 0.00 -1.25 0.00 0.00 55.69 53.88 1wgo s MET 75 Cb -0.01 -2.07 -0.03 0.00 2.84 0.00 0.00 34.83 35.56 1wgo s MET 75 CO 0.10 0.02 0.12 0.71 -0.65 0.00 0.00 175.02 175.32 1wgo s TYR 76 N 0.74 3.14 -0.04 4.11 1.51 -0.16 -4.85 117.35 121.79 1wgo s TYR 76 Ca -0.11 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1wgo s TYR 76 Cb -0.16 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1wgo s TYR 76 CO 0.02 -0.31 -0.07 0.54 -1.11 0.00 0.00 175.55 174.62 1wgo s VAL 77 N 1.66 3.66 -0.70 0.71 0.11 -1.26 -2.82 120.40 121.77 1wgo s VAL 77 Ca 0.06 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1wgo s VAL 77 Cb -0.16 -2.53 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 1wgo s VAL 77 CO 0.06 0.52 0.00 -3.20 -3.33 0.00 0.00 175.10 169.16 1wgo n ASN 78 N 1.98 -3.28 0.17 3.54 2.85 -1.26 -4.95 115.26 114.30 1wgo n ASN 78 Ca -0.17 0.08 -0.12 0.00 -0.11 0.00 0.00 54.58 54.27 1wgo n ASN 78 Cb 0.53 -2.04 -0.07 0.00 1.24 0.00 0.00 39.78 39.44 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 0.00 -0.40 0.00 1.20 5.85 -1.87 -2.94 115.31 117.15 1wgo h LEU 79 Ca -0.16 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1wgo h LEU 79 Cb 0.81 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1wgo h LEU 79 CO 0.21 0.03 0.00 0.35 -0.34 0.00 0.00 178.44 178.69 1wgo n THR 80 N -5.12 1.32 0.39 1.05 -2.24 -1.26 0.54 114.28 108.96 1wgo n THR 80 Ca -0.09 0.33 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 1wgo n THR 80 Cb 0.27 -1.27 0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1wgo n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wgo n LEU 81 N -1.38 0.62 0.00 3.22 4.32 -1.12 -4.28 117.00 118.39 1wgo n LEU 81 Ca 0.01 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1wgo n LEU 81 Cb 0.03 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1wgo n LEU 81 CO 0.03 -0.03 -0.35 0.35 -1.22 0.00 0.00 177.39 176.17 1wgo n THR 82 N -2.20 0.00 0.00 -5.08 -2.24 0.21 -5.02 114.28 99.96 1wgo n THR 82 Ca 0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1wgo n THR 82 Cb 0.48 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1wgo n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wgo n GLY 83 N 2.03 1.01 2.64 3.38 0.00 0.19 -4.94 105.19 109.49 1wgo n GLY 83 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1wgo n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgo n GLU 84 N 0.00 0.00 -0.18 1.61 -0.58 -1.26 -4.63 120.64 115.59 1wgo n GLU 84 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1wgo n GLU 84 Cb 0.00 -1.07 0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1wgo n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wgo n PRO 85 N 2.48 -1.40 -3.99 3.49 -0.04 -1.26 -4.88 135.00 129.40 1wgo n PRO 85 Ca 0.20 -0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 63.04 1wgo n PRO 85 Cb -0.02 -0.29 -0.14 0.00 -0.04 0.00 0.00 33.50 33.00 1wgo n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wgo s ILE 86 N -1.35 2.43 0.02 0.52 1.01 -0.52 -4.89 121.20 118.43 1wgo s ILE 86 Ca 0.13 -2.17 -0.26 0.00 0.00 0.00 0.00 60.65 58.34 1wgo s ILE 86 Cb -0.01 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1wgo s ILE 86 CO 0.10 -0.52 0.81 -0.60 0.00 0.00 0.00 174.94 174.73 1wgo s ARG 87 N 0.97 4.52 -0.26 2.79 3.52 -1.26 -2.21 118.95 127.02 1wgo s ARG 87 Ca 0.07 1.12 -0.25 0.00 -0.13 0.00 0.00 55.73 56.54 1wgo s ARG 87 Cb -0.20 -3.39 0.09 0.00 -1.56 0.00 0.00 34.95 29.89 1wgo s ARG 87 CO -0.07 0.19 0.85 -1.58 -0.81 0.00 0.00 175.30 173.88 1wgo s HIS 88 N 0.27 -0.64 0.20 5.12 2.46 -0.86 -4.95 115.29 116.88 1wgo s HIS 88 Ca 0.41 1.55 0.08 0.00 0.47 0.00 0.00 55.06 57.57 1wgo s HIS 88 Cb -0.20 0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.52 1wgo s HIS 88 CO 0.24 -0.33 -0.03 -0.98 -2.47 0.00 0.00 174.74 171.17 1wgo s ARG 89 N 0.22 2.26 0.09 2.88 1.70 -1.26 -0.66 118.95 124.17 1wgo s ARG 89 Ca 0.01 -1.25 0.02 0.00 -0.47 0.00 0.00 55.73 54.03 1wgo s ARG 89 Cb -0.05 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 32.06 1wgo s ARG 89 CO -0.02 0.42 0.17 0.71 -1.08 0.00 0.00 175.30 175.51 1wgo s TYR 90 N -1.89 3.38 -0.24 5.89 2.02 -1.25 -4.92 117.35 120.34 1wgo s TYR 90 Ca 0.28 0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 57.03 1wgo s TYR 90 Cb -0.08 -1.68 -0.17 0.00 -0.40 0.00 0.00 41.96 39.62 1wgo s TYR 90 CO 0.18 0.55 -0.10 -1.91 -1.57 0.00 0.00 175.55 172.71 1wgo n GLU 91 N 0.18 0.63 -4.50 -0.62 2.13 -1.26 -0.34 120.64 116.86 1wgo n GLU 91 Ca -0.07 0.30 -0.29 0.00 0.66 0.00 0.00 57.16 57.76 1wgo n GLU 91 Cb 0.52 -1.58 -0.13 0.00 0.27 0.00 0.00 31.44 30.51 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 -7.04 3.32 0.98 4.31 0.01 -1.26 -4.70 113.70 109.31 1wgo s SER 92 Ca -0.33 -0.70 -0.12 0.00 1.31 0.00 0.00 55.95 56.10 1wgo s SER 92 Cb 0.10 -0.25 0.18 0.00 0.21 0.00 0.00 66.02 66.26 1wgo s SER 92 CO 0.58 0.20 1.09 -2.16 0.41 0.00 0.00 173.24 173.36 1wgo s PRO 93 N -1.88 0.59 0.00 12.44 0.04 -1.26 -4.97 135.00 139.96 1wgo s PRO 93 Ca 0.14 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1wgo s PRO 93 Cb -0.10 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wgo s PRO 93 CO 0.05 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1wgo n GLY 94 N -1.09 3.55 3.69 0.56 0.00 -0.93 -5.01 105.19 105.95 1wgo n GLY 94 Ca 0.06 -1.52 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 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 0.01 0.15 -4.13 -0.61 -0.00 -1.26 -4.23 119.36 109.29 1wgo n ILE 95 Ca 0.00 -0.03 -0.25 0.00 -0.00 0.00 0.00 62.75 62.47 1wgo n ILE 95 Cb 0.00 -1.80 -0.06 0.00 -0.00 0.00 0.00 39.64 37.78 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 1.76 3.04 -0.43 1.39 2.02 -0.81 -4.98 117.35 119.33 1wgo s TYR 96 Ca 0.80 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 57.28 1wgo s TYR 96 Cb -0.60 -1.43 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1wgo s TYR 96 CO 0.38 0.53 0.32 0.50 -1.57 0.00 0.00 175.55 175.71 1wgo s ARG 97 N -3.31 2.90 -0.15 -0.62 3.52 -1.24 -2.78 118.95 117.28 1wgo s ARG 97 Ca 0.31 -1.24 -0.07 0.00 -0.13 0.00 0.00 55.73 54.60 1wgo s ARG 97 Cb -0.09 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 1wgo s ARG 97 CO 0.22 -0.90 0.09 0.08 -0.81 0.00 0.00 175.30 173.99 1wgo s VAL 98 N 1.61 5.05 0.29 7.11 1.01 -0.22 -3.32 120.40 131.93 1wgo s VAL 98 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1wgo s VAL 98 Cb -0.22 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1wgo s VAL 98 CO 0.07 0.54 0.35 -0.44 0.00 0.00 0.00 175.10 175.62 1wgo s SER 99 N -0.35 0.72 -0.24 3.32 0.01 -0.96 0.15 113.70 116.34 1wgo s SER 99 Ca 0.10 -1.42 -0.05 0.00 1.31 0.00 0.00 55.95 55.88 1wgo s SER 99 Cb -0.12 0.56 0.12 0.00 0.21 0.00 0.00 66.02 66.79 1wgo s SER 99 CO 0.01 -1.11 0.45 0.54 0.41 0.00 0.00 173.24 173.54 1wgo s VAL 100 N -3.57 -0.71 -0.08 3.43 0.11 -0.71 -2.99 120.40 115.88 1wgo s VAL 100 Ca 0.33 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.39 1wgo s VAL 100 Cb 0.02 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1wgo s VAL 100 CO 0.18 -0.01 0.12 -0.60 -3.33 0.00 0.00 175.10 171.45 1wgo s ARG 101 N 2.65 3.32 -0.11 1.54 3.52 -1.24 -1.49 118.95 127.15 1wgo s ARG 101 Ca 0.06 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1wgo s ARG 101 Cb -0.14 -3.07 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1wgo s ARG 101 CO -0.15 0.73 0.28 0.00 -0.81 0.00 0.00 175.30 175.35 1wgo s ALA 102 N -1.08 -0.69 -0.27 6.12 0.00 -0.22 -0.30 121.76 125.33 1wgo s ALA 102 Ca 0.18 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 1wgo s ALA 102 Cb -0.12 -0.46 0.16 0.00 0.00 0.00 0.00 23.12 22.69 1wgo s ALA 102 CO 0.08 -0.13 0.46 -2.00 0.00 0.00 0.00 175.76 174.16 1wgo s GLU 103 N 0.18 0.43 0.41 0.00 2.12 -1.24 -1.26 118.70 119.34 1wgo s GLU 103 Ca -0.00 0.66 0.07 0.00 0.36 0.00 0.00 54.97 56.07 1wgo s GLU 103 Cb -0.02 -0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.20 1wgo s GLU 103 CO 0.00 -0.67 0.13 0.54 -0.54 0.00 0.00 175.26 174.72 1wgo s ASN 104 N 2.66 4.29 0.16 -1.70 4.22 0.21 -4.55 114.94 120.23 1wgo s ASN 104 Ca 0.15 -1.13 -0.26 0.00 -2.14 0.00 0.00 52.86 49.49 1wgo s ASN 104 Cb -0.15 -0.47 0.02 0.00 1.28 0.00 0.00 41.25 41.93 1wgo s ASN 104 CO -0.19 -0.50 1.58 0.71 -2.04 0.00 0.00 177.10 176.67 1wgo h THR 105 N 1.53 0.14 0.17 0.54 1.35 -1.98 -2.69 112.91 111.98 1wgo h THR 105 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1wgo h THR 105 Cb 1.25 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1wgo h THR 105 CO 0.72 0.00 -0.33 0.00 -0.25 0.00 0.00 175.52 175.66 1wgo h ALA 106 N 0.53 -0.91 -3.00 6.62 0.00 -1.97 -3.48 119.26 117.06 1wgo h ALA 106 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wgo h ALA 106 Cb 0.57 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wgo h ALA 106 CO -0.57 -0.96 0.00 0.41 0.00 0.00 0.00 179.25 178.13 1wgo n GLY 107 N -1.33 4.06 3.46 0.00 0.00 -1.01 -4.76 105.19 105.61 1wgo n GLY 107 Ca -0.06 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.13 -0.56 0.18 1.61 -3.43 -1.26 0.67 115.29 111.37 1wgo s HIS 108 Ca 0.00 1.07 -0.08 0.00 -0.80 0.00 0.00 55.06 55.25 1wgo s HIS 108 Cb 0.00 0.30 -0.01 0.00 -1.43 0.00 0.00 32.58 31.43 1wgo s HIS 108 CO 0.00 -0.49 0.28 0.34 -2.00 0.00 0.00 174.74 172.87 1wgo s ASP 109 N -0.85 0.05 -0.07 7.38 -1.08 -0.39 -4.75 116.67 116.97 1wgo s ASP 109 Ca -0.09 -0.96 -0.22 0.00 -0.52 0.00 0.00 52.55 50.76 1wgo s ASP 109 Cb -0.02 0.44 0.05 0.00 -1.46 0.00 0.00 42.92 41.93 1wgo s ASP 109 CO 0.06 -0.91 0.50 -0.70 0.52 0.00 0.00 175.17 174.65 1wgo s GLU 110 N -4.00 0.81 0.30 4.34 2.12 -1.26 -1.05 118.70 119.96 1wgo s GLU 110 Ca 0.21 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.74 1wgo s GLU 110 Cb 0.03 0.38 -0.05 0.00 0.26 0.00 0.00 34.13 34.76 1wgo s GLU 110 CO 0.03 -0.22 0.11 0.00 -0.54 0.00 0.00 175.26 174.64 1wgo s ALA 111 N -0.93 2.04 0.05 6.30 0.00 -0.55 -4.95 121.76 123.71 1wgo s ALA 111 Ca -0.10 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 49.99 1wgo s ALA 111 Cb -0.03 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1wgo s ALA 111 CO 0.06 -0.43 0.14 0.08 0.00 0.00 0.00 175.76 175.61 1wgo s VAL 112 N -3.57 0.13 -0.27 0.00 1.01 -1.26 -1.74 120.40 114.69 1wgo s VAL 112 Ca 0.35 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1wgo s VAL 112 Cb 0.07 -1.02 0.08 0.00 0.00 0.00 0.00 36.38 35.50 1wgo s VAL 112 CO 0.15 -0.60 0.73 -0.22 0.00 0.00 0.00 175.10 175.16 1wgo s LEU 113 N -2.30 -0.79 -0.13 3.92 0.20 0.12 -4.83 118.68 114.88 1wgo s LEU 113 Ca -0.02 1.43 -0.05 0.00 0.69 0.00 0.00 54.13 56.18 1wgo s LEU 113 Cb 0.01 2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 48.13 1wgo s LEU 113 CO -0.06 -0.24 0.06 -0.36 -0.29 0.00 0.00 176.35 175.46 1wgo s PHE 114 N 0.76 3.31 0.03 5.38 0.40 -1.26 -1.05 117.98 125.54 1wgo s PHE 114 Ca -0.03 0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1wgo s PHE 114 Cb -0.05 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1wgo s PHE 114 CO -0.06 0.43 -0.23 0.08 0.70 0.00 0.00 175.22 176.14 1wgo s VAL 115 N -0.48 2.40 -0.25 -0.44 1.01 -1.12 -4.99 120.40 116.54 1wgo s VAL 115 Ca 0.10 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.85 1wgo s VAL 115 Cb -0.12 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1wgo s VAL 115 CO 0.02 0.41 -0.08 -1.58 0.00 0.00 0.00 175.10 173.87 1wgo s GLN 116 N -1.16 2.64 -0.40 2.72 0.74 -1.26 -1.92 119.66 121.02 1wgo s GLN 116 Ca 0.12 -1.10 -0.08 0.00 0.05 0.00 0.00 55.36 54.36 1wgo s GLN 116 Cb -0.10 -2.93 0.07 0.00 1.10 0.00 0.00 33.01 31.15 1wgo s GLN 116 CO 0.02 -0.45 0.22 0.54 -0.55 0.00 0.00 175.29 175.07 1wgo s VAL 117 N 1.25 4.03 1.06 1.34 0.11 -1.26 -1.25 120.40 125.68 1wgo s VAL 117 Ca -0.02 -1.42 -0.20 0.00 -2.93 0.00 0.00 61.98 57.40 1wgo s VAL 117 Cb -0.17 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1wgo s VAL 117 CO -0.05 -0.46 -0.44 -0.24 -3.33 0.00 0.00 175.10 170.57 1wgo n SER 118 N 4.86 -2.80 0.00 3.54 2.88 -0.18 -2.19 113.62 119.74 1wgo n SER 118 Ca -0.10 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1wgo n SER 118 Cb 0.43 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1wgo n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgo n GLY 119 N 2.48 0.90 0.00 0.46 0.00 -1.26 -4.30 105.19 103.48 1wgo n GLY 119 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.28 1wgo n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgo n PRO 120 N -0.22 0.49 -2.26 1.61 -0.04 -1.26 -4.83 135.00 128.49 1wgo n PRO 120 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1wgo n PRO 120 Cb 0.00 -1.36 0.02 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.86 -2.43 -4.52 3.54 7.64 -1.26 -5.03 113.62 110.70 1wgo n SER 121 Ca 0.08 -0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.39 1wgo n SER 121 Cb 0.04 -1.80 -0.11 0.00 -1.01 0.00 0.00 64.21 61.33 1wgo n SER 121 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgo s SER 122 N -3.29 5.96 0.00 6.43 0.01 -1.26 -5.21 113.70 116.34 1wgo s SER 122 Ca 0.04 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1wgo s SER 122 Cb -0.01 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1wgo s SER 122 CO 0.20 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.26