#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf8 s SER 2 N 0.00 5.93 -0.09 1.61 1.04 -1.26 -5.11 113.70 115.82 1wf8 s SER 2 Ca 0.00 -0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1wf8 s SER 2 Cb 0.00 -1.59 -0.03 0.00 0.10 0.00 0.00 66.02 64.50 1wf8 s SER 2 CO 0.00 -0.10 -0.07 -0.94 0.98 0.00 0.00 173.24 173.11 1wf8 s SER 3 N -3.94 4.64 0.00 7.02 1.04 -1.26 -4.71 113.70 116.49 1wf8 s SER 3 Ca 0.35 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1wf8 s SER 3 Cb -0.08 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1wf8 s SER 3 CO 0.27 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.42 1wf8 n GLY 4 N 2.54 3.16 3.77 7.32 0.00 -1.26 -5.11 105.19 115.62 1wf8 n GLY 4 Ca -0.18 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1wf8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf8 s SER 5 N 0.00 6.71 0.20 1.61 0.01 -1.26 -4.93 113.70 116.04 1wf8 s SER 5 Ca 0.00 2.21 -0.20 0.00 1.31 0.00 0.00 55.95 59.27 1wf8 s SER 5 Cb 0.00 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.79 1wf8 s SER 5 CO 0.00 -0.54 1.58 0.28 0.41 0.00 0.00 173.24 174.97 1wf8 h SER 6 N 2.72 -1.23 -6.73 2.44 0.02 -1.99 -3.45 113.55 105.34 1wf8 h SER 6 Ca -0.48 0.25 -0.47 0.00 -0.84 0.00 0.00 61.79 60.25 1wf8 h SER 6 Cb 1.22 0.63 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1wf8 h SER 6 CO 0.63 -0.30 -0.94 0.61 -1.14 0.00 0.00 176.83 175.69 1wf8 n GLY 7 N -1.45 -0.99 3.29 -3.77 0.00 -1.26 -4.95 105.19 96.06 1wf8 n GLY 7 Ca 0.06 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 1wf8 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wf8 s LEU 8 N -5.56 2.41 -0.71 0.99 2.01 -1.26 -4.29 118.68 112.27 1wf8 s LEU 8 Ca 0.16 -1.09 -0.18 0.00 0.01 0.00 0.00 54.13 53.03 1wf8 s LEU 8 Cb -0.09 -0.36 0.14 0.00 0.01 0.00 0.00 46.19 45.89 1wf8 s LEU 8 CO 0.81 -0.38 0.79 -0.70 1.01 0.00 0.00 176.35 177.88 1wf8 s GLU 9 N -3.78 3.28 -0.41 1.70 2.12 0.49 -4.86 118.70 117.25 1wf8 s GLU 9 Ca 0.22 -1.70 -0.19 0.00 0.36 0.00 0.00 54.97 53.65 1wf8 s GLU 9 Cb 0.03 -4.43 0.02 0.00 0.26 0.00 0.00 34.13 30.01 1wf8 s GLU 9 CO 0.04 -1.51 0.55 -0.51 -0.54 0.00 0.00 175.26 173.29 1wf8 s LEU 10 N 2.02 4.58 -0.03 2.70 2.01 -1.25 -1.47 118.68 127.24 1wf8 s LEU 10 Ca 0.17 -0.37 0.02 0.00 0.01 0.00 0.00 54.13 53.95 1wf8 s LEU 10 Cb -0.17 -2.59 0.00 0.00 0.01 0.00 0.00 46.19 43.44 1wf8 s LEU 10 CO -0.01 -0.65 -0.09 0.72 1.01 0.00 0.00 176.35 177.34 1wf8 s PHE 11 N 2.51 0.94 0.16 0.29 -0.71 -0.79 -4.97 117.98 115.40 1wf8 s PHE 11 Ca 0.18 -0.24 -0.30 0.00 -1.04 0.00 0.00 56.93 55.53 1wf8 s PHE 11 Cb -0.15 -0.68 -0.07 0.00 -1.21 0.00 0.00 43.02 40.90 1wf8 s PHE 11 CO 0.16 -0.11 1.12 -1.25 -1.34 0.00 0.00 175.22 173.80 1wf8 s PRO 12 N 0.25 4.55 -0.10 1.99 0.04 -1.26 -1.96 135.00 138.52 1wf8 s PRO 12 Ca -0.04 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.76 1wf8 s PRO 12 Cb -0.09 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wf8 s PRO 12 CO 0.01 -0.00 -0.14 0.08 0.04 0.00 0.00 177.00 176.98 1wf8 s VAL 13 N 0.02 1.38 0.28 -0.36 1.01 0.55 -4.89 120.40 118.38 1wf8 s VAL 13 Ca 0.51 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1wf8 s VAL 13 Cb -0.30 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1wf8 s VAL 13 CO 0.34 0.42 0.74 -1.61 0.00 0.00 0.00 175.10 174.99 1wf8 s GLU 14 N 0.97 4.13 -0.15 2.72 2.02 -1.26 0.20 118.70 127.34 1wf8 s GLU 14 Ca -0.08 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 55.60 1wf8 s GLU 14 Cb -0.15 -2.63 0.05 0.00 0.10 0.00 0.00 34.13 31.50 1wf8 s GLU 14 CO -0.01 0.26 0.37 -0.51 0.02 0.00 0.00 175.26 175.39 1wf8 s LEU 15 N -2.51 0.26 -0.39 1.80 1.43 0.15 -4.92 118.68 114.49 1wf8 s LEU 15 Ca 0.49 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 1wf8 s LEU 15 Cb -0.13 1.22 0.04 0.00 0.03 0.00 0.00 46.19 47.35 1wf8 s LEU 15 CO 0.19 -0.16 0.24 -1.61 0.23 0.00 0.00 176.35 175.24 1wf8 s GLU 16 N 0.89 2.80 0.39 1.70 2.02 -1.25 0.63 118.70 125.88 1wf8 s GLU 16 Ca -0.06 -1.17 -0.22 0.00 0.02 0.00 0.00 54.97 53.54 1wf8 s GLU 16 Cb -0.06 -3.80 -0.15 0.00 0.10 0.00 0.00 34.13 30.22 1wf8 s GLU 16 CO -0.07 -0.78 0.24 1.63 0.02 0.00 0.00 175.26 176.30 1wf8 n LYS 17 N 5.02 0.14 -4.60 1.61 5.02 0.50 -4.87 118.16 120.97 1wf8 n LYS 17 Ca -0.11 0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1wf8 n LYS 17 Cb 0.45 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 1wf8 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wf8 s ASP 18 N -0.99 4.13 0.58 4.39 1.01 0.48 -4.90 116.67 121.38 1wf8 s ASP 18 Ca 0.61 -1.51 0.39 0.00 0.71 0.00 0.00 52.55 52.75 1wf8 s ASP 18 Cb -0.65 0.21 1.38 0.00 1.01 0.00 0.00 42.92 44.87 1wf8 s ASP 18 CO 0.61 -0.75 1.50 1.05 0.21 0.00 0.00 175.17 177.79 1wf8 h GLU 19 N 1.41 0.00 -1.55 8.23 4.11 -1.97 1.51 114.58 126.32 1wf8 h GLU 19 Ca -0.43 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.39 1wf8 h GLU 19 Cb 1.29 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.13 1wf8 h GLU 19 CO 0.74 0.00 -0.60 -3.47 0.07 0.00 0.00 179.01 175.75 1wf8 n ASP 20 N -3.66 4.91 0.00 3.06 -0.08 -1.26 -5.08 116.55 114.44 1wf8 n ASP 20 Ca 0.32 -3.73 0.00 0.00 -1.51 0.00 0.00 54.79 49.87 1wf8 n ASP 20 Cb 1.68 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 44.64 1wf8 n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wf8 n GLY 21 N -0.49 1.41 0.43 0.27 0.00 0.52 -3.41 105.19 103.92 1wf8 n GLY 21 Ca 0.40 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1wf8 n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wf8 h LEU 22 N 0.00 -0.89 -0.01 0.99 3.38 -1.90 1.41 115.31 118.29 1wf8 h LEU 22 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wf8 h LEU 22 Cb 0.00 0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1wf8 h LEU 22 CO 0.00 -0.58 0.00 0.61 0.09 0.00 0.00 178.44 178.56 1wf8 n GLY 23 N -1.28 0.60 3.27 0.83 0.00 -1.22 -0.51 105.19 106.88 1wf8 n GLY 23 Ca -0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1wf8 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wf8 s ILE 24 N -1.25 0.09 0.06 -0.61 -4.36 -1.26 -2.55 121.20 111.32 1wf8 s ILE 24 Ca 0.00 -0.76 0.08 0.00 -0.26 0.00 0.00 60.65 59.70 1wf8 s ILE 24 Cb 0.00 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 1wf8 s ILE 24 CO 0.00 -0.42 -0.18 -0.44 0.24 0.00 0.00 174.94 174.14 1wf8 s SER 25 N -2.59 3.85 0.29 4.36 0.01 0.01 -4.90 113.70 114.74 1wf8 s SER 25 Ca 0.01 -0.46 0.10 0.00 1.31 0.00 0.00 55.95 56.91 1wf8 s SER 25 Cb 0.02 -0.60 -0.06 0.00 0.21 0.00 0.00 66.02 65.59 1wf8 s SER 25 CO -0.09 0.23 -0.13 0.27 0.41 0.00 0.00 173.24 173.93 1wf8 s ILE 26 N -1.00 2.14 -0.00 1.44 -4.36 -1.26 -1.46 121.20 116.70 1wf8 s ILE 26 Ca 0.16 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 1wf8 s ILE 26 Cb -0.11 -2.41 -0.00 0.00 1.25 0.00 0.00 42.46 41.20 1wf8 s ILE 26 CO 0.07 -0.34 -0.04 -0.51 0.24 0.00 0.00 174.94 174.35 1wf8 s ILE 27 N -2.70 0.36 -0.36 8.37 2.07 0.50 -4.42 121.20 125.03 1wf8 s ILE 27 Ca 0.30 -0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 59.18 1wf8 s ILE 27 Cb -0.00 -0.31 -0.00 0.00 0.13 0.00 0.00 42.46 42.27 1wf8 s ILE 27 CO 0.14 0.11 0.44 -0.83 -1.91 0.00 0.00 174.94 172.88 1wf8 s GLY 28 N -0.06 1.86 0.08 1.50 0.00 -1.26 -1.61 107.32 107.83 1wf8 s GLY 28 Ca 0.01 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.61 1wf8 s GLY 28 CO -0.00 1.14 -0.12 1.06 0.00 0.00 0.00 173.10 175.18 1wf8 s MET 29 N 2.20 0.81 -0.46 2.90 -1.94 -0.60 -4.98 119.30 117.24 1wf8 s MET 29 Ca 0.15 -1.04 -0.20 0.00 -1.71 0.00 0.00 55.69 52.89 1wf8 s MET 29 Cb -0.16 -0.64 0.03 0.00 2.01 0.00 0.00 34.83 36.08 1wf8 s MET 29 CO 0.13 0.12 0.60 0.20 -0.01 0.00 0.00 175.02 176.06 1wf8 s GLY 30 N -2.09 1.76 -0.02 -0.03 0.00 -1.26 0.25 107.32 105.93 1wf8 s GLY 30 Ca 0.01 -1.43 -0.23 0.00 0.00 0.00 0.00 44.72 43.07 1wf8 s GLY 30 CO 0.01 1.45 0.69 0.14 0.00 0.00 0.00 173.10 175.39 1wf8 s VAL 31 N 2.65 4.92 0.00 1.40 1.01 0.22 -4.56 120.40 126.04 1wf8 s VAL 31 Ca 0.18 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1wf8 s VAL 31 Cb -0.16 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1wf8 s VAL 31 CO 0.16 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1wf8 n GLY 32 N 2.71 0.00 3.06 4.51 0.00 -1.26 -1.98 105.19 112.23 1wf8 n GLY 32 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1wf8 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 s ALA 33 N -0.73 2.68 -0.54 4.61 0.00 -1.26 -3.60 121.76 122.92 1wf8 s ALA 33 Ca 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 51.96 49.97 1wf8 s ALA 33 Cb 0.00 -1.72 0.43 0.00 0.00 0.00 0.00 23.12 21.83 1wf8 s ALA 33 CO 0.00 -1.36 1.61 -0.25 0.00 0.00 0.00 175.76 175.76 1wf8 n ASP 34 N 4.38 6.29 -3.76 0.00 8.00 -1.26 -4.90 116.55 125.31 1wf8 n ASP 34 Ca -0.08 -3.77 -0.31 0.00 0.71 0.00 0.00 54.79 51.33 1wf8 n ASP 34 Cb 0.42 -0.71 0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1wf8 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wf8 n ALA 35 N -0.71 -2.45 0.00 2.24 0.00 -1.26 -4.31 120.51 114.02 1wf8 n ALA 35 Ca 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1wf8 n ALA 35 Cb 0.68 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.60 1wf8 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wf8 n GLY 36 N -1.76 0.56 2.69 0.00 0.00 -1.26 -5.00 105.19 100.41 1wf8 n GLY 36 Ca -0.14 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1wf8 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wf8 n LEU 37 N 0.00 7.27 -4.66 0.99 4.77 -1.26 -4.97 117.00 119.13 1wf8 n LEU 37 Ca 0.00 -5.33 -0.35 0.00 -0.03 0.00 0.00 56.01 50.30 1wf8 n LEU 37 Cb 0.00 -1.20 -0.09 0.00 -2.33 0.00 0.00 43.42 39.80 1wf8 n LEU 37 CO 0.00 1.99 -0.25 -1.83 -1.33 0.00 0.00 177.39 175.97 1wf8 s GLU 38 N -3.92 3.78 -0.13 3.23 -1.05 -1.25 -4.00 118.70 115.36 1wf8 s GLU 38 Ca 0.39 -0.33 -0.00 0.00 -0.15 0.00 0.00 54.97 54.87 1wf8 s GLU 38 Cb 0.17 -3.15 0.03 0.00 -0.44 0.00 0.00 34.13 30.74 1wf8 s GLU 38 CO -0.09 0.39 -0.10 -1.59 0.95 0.00 0.00 175.26 174.82 1wf8 s LYS 39 N 0.04 1.82 0.08 -4.83 0.00 -0.84 -4.97 119.74 111.03 1wf8 s LYS 39 Ca 0.05 -0.40 -0.31 0.00 0.00 0.00 0.00 55.97 55.31 1wf8 s LYS 39 Cb -0.12 -1.83 -0.07 0.00 0.00 0.00 0.00 37.83 35.81 1wf8 s LYS 39 CO 0.01 -0.27 1.30 -1.17 0.00 0.00 0.00 175.35 175.21 1wf8 s LEU 40 N 1.61 4.36 -0.11 2.77 1.98 -1.26 0.73 118.68 128.76 1wf8 s LEU 40 Ca 0.04 2.15 -0.04 0.00 -2.89 0.00 0.00 54.13 53.40 1wf8 s LEU 40 Cb -0.13 -3.58 -0.03 0.00 0.66 0.00 0.00 46.19 43.11 1wf8 s LEU 40 CO -0.09 -0.57 0.03 -0.83 -1.89 0.00 0.00 176.35 173.00 1wf8 s GLY 41 N 1.16 1.90 -0.60 7.98 0.00 0.69 -0.67 107.32 117.78 1wf8 s GLY 41 Ca 0.62 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 44.43 1wf8 s GLY 41 CO 0.29 -0.43 0.53 -0.42 0.00 0.00 0.00 173.10 173.08 1wf8 s ILE 42 N -0.67 5.00 0.30 0.90 -1.09 -1.26 -1.56 121.20 122.82 1wf8 s ILE 42 Ca 0.11 -1.91 0.06 0.00 -2.23 0.00 0.00 60.65 56.68 1wf8 s ILE 42 Cb -0.12 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 1wf8 s ILE 42 CO 0.02 -0.89 0.42 -0.36 -1.23 0.00 0.00 174.94 172.90 1wf8 s PHE 43 N 1.07 3.21 -0.50 3.97 0.08 -0.64 -1.71 117.98 123.46 1wf8 s PHE 43 Ca 0.08 -0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.77 1wf8 s PHE 43 Cb -0.23 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1wf8 s PHE 43 CO -0.01 0.16 0.72 0.08 -0.10 0.00 0.00 175.22 176.07 1wf8 s VAL 44 N -2.12 4.73 0.23 -0.44 1.01 0.39 0.19 120.40 124.39 1wf8 s VAL 44 Ca 0.41 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1wf8 s VAL 44 Cb -0.09 -4.34 0.20 0.00 0.00 0.00 0.00 36.38 32.15 1wf8 s VAL 44 CO 0.30 -0.83 1.89 0.50 0.00 0.00 0.00 175.10 176.96 1wf8 h LYS 45 N 9.05 1.17 -2.19 2.72 3.64 -1.46 1.18 116.57 130.67 1wf8 h LYS 45 Ca -0.26 -0.08 0.23 0.00 -1.27 0.00 0.00 60.65 59.26 1wf8 h LYS 45 Cb 1.09 -0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.58 1wf8 h LYS 45 CO 0.98 0.79 0.65 -0.08 -2.27 0.00 0.00 179.45 179.52 1wf8 s THR 46 N -6.07 0.00 -0.11 1.00 -1.32 -1.23 -4.62 115.64 103.30 1wf8 s THR 46 Ca -0.13 -0.48 0.02 0.00 -1.21 0.00 0.00 61.69 59.89 1wf8 s THR 46 Cb 0.16 -2.44 0.01 0.00 -1.51 0.00 0.00 72.50 68.72 1wf8 s THR 46 CO 0.80 0.00 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.35 1wf8 s VAL 47 N -2.53 1.63 0.57 5.08 1.01 -1.26 -0.81 120.40 124.10 1wf8 s VAL 47 Ca 0.18 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 1wf8 s VAL 47 Cb -0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1wf8 s VAL 47 CO 0.02 0.47 0.92 0.41 0.00 0.00 0.00 175.10 176.92 1wf8 n THR 48 N 4.01 3.36 -2.62 3.92 -1.04 -1.06 -4.87 114.28 115.98 1wf8 n THR 48 Ca -0.20 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.89 1wf8 n THR 48 Cb 0.52 -1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 1wf8 n THR 48 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1wf8 s GLU 49 N -2.58 3.32 0.00 -2.82 2.12 -1.26 -2.79 118.70 114.69 1wf8 s GLU 49 Ca 0.73 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1wf8 s GLU 49 Cb -0.44 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 29.85 1wf8 s GLU 49 CO 0.49 -1.86 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 1wf8 n GLY 50 N 5.22 0.90 1.74 -1.50 0.00 -1.26 -5.09 105.19 105.20 1wf8 n GLY 50 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1wf8 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf8 n GLY 51 N -1.97 -2.20 0.21 -0.02 0.00 -1.12 -4.71 105.19 95.39 1wf8 n GLY 51 Ca 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.41 1wf8 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 h ALA 52 N -2.21 -0.58 -0.61 4.61 0.00 -0.98 0.26 119.26 119.74 1wf8 h ALA 52 Ca -0.20 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.78 1wf8 h ALA 52 Cb 0.59 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1wf8 h ALA 52 CO 0.13 -0.55 0.47 0.00 0.00 0.00 0.00 179.25 179.31 1wf8 h ALA 53 N -1.35 2.52 0.34 0.00 0.00 -1.77 0.48 119.26 119.48 1wf8 h ALA 53 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wf8 h ALA 53 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wf8 h ALA 53 CO 0.08 -0.78 -0.16 0.37 0.00 0.00 0.00 179.25 178.75 1wf8 h GLN 54 N 0.00 -0.44 -0.41 0.00 -0.00 -1.78 -1.59 115.11 110.89 1wf8 h GLN 54 Ca 0.29 0.03 0.11 0.00 -0.00 0.00 0.00 58.65 59.08 1wf8 h GLN 54 Cb 1.23 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.79 1wf8 h GLN 54 CO -0.00 -0.29 0.29 0.00 0.00 0.00 0.00 178.83 178.82 1wf8 h ARG 55 N -0.85 0.06 0.14 1.69 3.08 -0.20 -1.31 114.38 116.99 1wf8 h ARG 55 Ca -0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1wf8 h ARG 55 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1wf8 h ARG 55 CO 0.08 0.04 -0.07 0.22 -1.07 0.00 0.00 179.97 179.17 1wf8 h ASP 56 N 0.06 -0.16 0.00 7.04 3.58 -0.07 -3.47 116.42 123.40 1wf8 h ASP 56 Ca 0.19 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1wf8 h ASP 56 Cb 0.69 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1wf8 h ASP 56 CO -0.01 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 1wf8 n GLY 57 N -0.41 2.56 0.00 -0.78 0.00 -0.50 -4.88 105.19 101.18 1wf8 n GLY 57 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1wf8 n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wf8 n ARG 58 N 0.00 0.00 -2.11 1.61 0.00 -1.26 -4.39 116.66 110.50 1wf8 n ARG 58 Ca 0.00 0.82 -0.41 0.00 -0.00 0.00 0.00 57.85 58.26 1wf8 n ARG 58 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 30.96 1wf8 n ARG 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1wf8 s ILE 59 N -2.90 2.97 0.06 5.15 1.01 -1.26 -5.02 121.20 121.21 1wf8 s ILE 59 Ca 0.00 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.48 1wf8 s ILE 59 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1wf8 s ILE 59 CO 0.00 0.11 -0.14 -1.10 0.00 0.00 0.00 174.94 173.81 1wf8 s GLN 60 N -0.01 0.84 0.53 2.79 -0.21 -1.26 -4.73 119.66 117.61 1wf8 s GLN 60 Ca 0.59 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 54.94 1wf8 s GLN 60 Cb -0.39 -0.83 -0.14 0.00 1.00 0.00 0.00 33.01 32.64 1wf8 s GLN 60 CO 0.39 0.19 -0.08 0.28 -2.12 0.00 0.00 175.29 173.95 1wf8 n VAL 61 N 1.57 0.23 -0.93 1.09 0.31 -1.26 -0.44 118.33 118.90 1wf8 n VAL 61 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1wf8 n VAL 61 Cb 0.54 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1wf8 n VAL 61 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1wf8 n ASN 62 N 2.32 -0.14 -4.77 4.52 3.02 0.41 -4.92 115.26 115.70 1wf8 n ASN 62 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1wf8 n ASN 62 Cb 0.47 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1wf8 n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wf8 s ASP 63 N -2.81 6.12 -0.38 6.41 2.15 0.42 -4.41 116.67 124.16 1wf8 s ASP 63 Ca 0.00 2.78 -0.06 0.00 0.43 0.00 0.00 52.55 55.69 1wf8 s ASP 63 Cb 0.00 -2.65 0.07 0.00 -0.30 0.00 0.00 42.92 40.05 1wf8 s ASP 63 CO 0.00 -0.99 0.18 -1.58 -0.17 0.00 0.00 175.17 172.61 1wf8 s GLN 64 N -2.33 2.44 -1.10 4.34 0.74 -1.26 0.15 119.66 122.63 1wf8 s GLN 64 Ca 0.59 -1.46 -0.22 0.00 0.05 0.00 0.00 55.36 54.32 1wf8 s GLN 64 Cb -0.41 -3.59 0.02 0.00 1.10 0.00 0.00 33.01 30.14 1wf8 s GLN 64 CO 0.52 -0.88 1.69 0.42 -0.55 0.00 0.00 175.29 176.49 1wf8 s ILE 65 N 1.33 3.85 0.24 -2.34 1.01 -0.70 -2.06 121.20 122.54 1wf8 s ILE 65 Ca 0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 1wf8 s ILE 65 Cb -0.22 -4.85 0.16 0.00 0.01 0.00 0.00 42.46 37.56 1wf8 s ILE 65 CO 0.00 -1.67 1.81 0.58 0.00 0.00 0.00 174.94 175.66 1wf8 h VAL 66 N 6.44 1.25 -3.82 2.92 2.07 -1.34 -3.38 116.25 120.39 1wf8 h VAL 66 Ca 0.26 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1wf8 h VAL 66 Cb 0.96 0.40 -0.17 0.00 -1.52 0.00 0.00 31.29 30.96 1wf8 h VAL 66 CO 1.37 0.32 -0.51 -0.70 0.02 0.00 0.00 177.57 178.07 1wf8 s GLU 67 N -5.47 0.62 -0.05 1.57 2.12 -1.15 -0.83 118.70 115.50 1wf8 s GLU 67 Ca -0.11 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.40 1wf8 s GLU 67 Cb 0.16 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.82 1wf8 s GLU 67 CO 0.82 -0.16 0.08 0.08 -0.54 0.00 0.00 175.26 175.55 1wf8 s VAL 68 N -2.79 -0.14 -1.24 3.70 1.01 0.62 -0.39 120.40 121.18 1wf8 s VAL 68 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1wf8 s VAL 68 Cb -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1wf8 s VAL 68 CO -0.05 0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.68 1wf8 n ASP 69 N 5.31 -3.28 0.00 3.32 8.00 0.51 0.18 116.55 130.59 1wf8 n ASP 69 Ca -0.03 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1wf8 n ASP 69 Cb 0.50 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 1wf8 n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wf8 n GLY 70 N -0.32 2.14 3.75 0.44 0.00 -1.26 -4.94 105.19 105.00 1wf8 n GLY 70 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1wf8 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wf8 s ILE 71 N -2.27 2.71 -0.22 -0.61 1.01 0.47 -4.98 121.20 117.31 1wf8 s ILE 71 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 60.65 61.10 1wf8 s ILE 71 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1wf8 s ILE 71 CO 0.00 0.12 0.51 -0.55 0.00 0.00 0.00 174.94 175.01 1wf8 s SER 72 N 0.09 6.51 -0.46 3.58 0.15 -1.26 0.23 113.70 122.54 1wf8 s SER 72 Ca 0.56 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.86 1wf8 s SER 72 Cb -0.41 -2.28 0.50 0.00 -1.71 0.00 0.00 66.02 62.12 1wf8 s SER 72 CO 0.46 -0.20 1.69 0.18 1.20 0.00 0.00 173.24 176.57 1wf8 n LEU 73 N 4.99 6.07 -4.66 3.45 4.77 -0.01 -4.94 117.00 126.66 1wf8 n LEU 73 Ca -0.05 -4.16 -0.35 0.00 -0.03 0.00 0.00 56.01 51.42 1wf8 n LEU 73 Cb 0.50 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1wf8 n LEU 73 CO 0.41 1.50 -0.31 -0.69 -1.33 0.00 0.00 177.39 176.97 1wf8 s VAL 74 N -4.14 4.32 -1.42 4.08 1.01 -1.25 -3.98 120.40 119.02 1wf8 s VAL 74 Ca 0.56 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1wf8 s VAL 74 Cb 0.46 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1wf8 s VAL 74 CO 0.02 0.58 1.02 0.61 0.00 0.00 0.00 175.10 177.33 1wf8 n GLY 75 N 2.41 -0.48 3.02 4.51 0.00 0.15 -4.90 105.19 109.90 1wf8 n GLY 75 Ca -0.18 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1wf8 n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wf8 s VAL 76 N -3.36 0.54 0.30 1.61 -7.23 -1.13 -4.55 120.40 106.57 1wf8 s VAL 76 Ca 0.51 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.73 1wf8 s VAL 76 Cb -0.24 -0.52 -0.10 0.00 0.56 0.00 0.00 36.38 36.07 1wf8 s VAL 76 CO 0.79 -0.10 1.34 0.28 -0.31 0.00 0.00 175.10 177.10 1wf8 s THR 77 N -0.72 2.74 0.26 5.32 -1.32 -1.26 -4.57 115.64 116.09 1wf8 s THR 77 Ca -0.03 0.70 0.03 0.00 -1.21 0.00 0.00 61.69 61.18 1wf8 s THR 77 Cb -0.06 -3.45 0.33 0.00 -1.51 0.00 0.00 72.50 67.82 1wf8 s THR 77 CO 0.00 0.15 1.26 1.67 -2.21 0.00 0.00 174.62 175.49 1wf8 n GLN 78 N 1.36 -0.06 -0.29 7.08 7.27 -1.26 0.19 117.38 131.67 1wf8 n GLN 78 Ca 0.02 1.20 0.01 0.00 0.07 0.00 0.00 57.00 58.30 1wf8 n GLN 78 Cb 0.41 -1.93 0.08 0.00 2.41 0.00 0.00 30.24 31.22 1wf8 n GLN 78 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1wf8 h ASN 79 N 0.00 -0.93 0.16 1.69 -0.73 -1.98 1.12 115.58 114.90 1wf8 h ASN 79 Ca 0.51 0.25 0.01 0.00 1.87 0.00 0.00 56.30 58.94 1wf8 h ASN 79 Cb 1.09 0.56 -0.02 0.00 0.27 0.00 0.00 38.32 40.22 1wf8 h ASN 79 CO -0.75 -0.28 -0.19 0.15 -0.37 0.00 0.00 177.43 175.99 1wf8 h PHE 80 N -0.03 -0.50 -0.57 0.67 3.04 0.17 0.26 116.94 119.99 1wf8 h PHE 80 Ca 0.36 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.38 1wf8 h PHE 80 Cb 0.60 0.20 -0.05 0.00 2.56 0.00 0.00 35.95 39.25 1wf8 h PHE 80 CO -0.68 -0.28 0.27 0.00 -2.02 0.00 0.00 178.31 175.60 1wf8 h ALA 81 N 0.39 0.74 -0.72 2.41 0.00 -0.50 0.77 119.26 122.35 1wf8 h ALA 81 Ca 0.01 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1wf8 h ALA 81 Cb 0.39 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1wf8 h ALA 81 CO -0.07 -0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.45 1wf8 h ALA 82 N 1.33 0.99 0.11 0.00 0.00 0.16 0.25 119.26 122.10 1wf8 h ALA 82 Ca 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wf8 h ALA 82 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wf8 h ALA 82 CO -0.20 -0.04 -0.05 1.15 0.00 0.00 0.00 179.25 180.11 1wf8 h THR 83 N 0.62 0.97 0.16 0.00 2.02 0.57 -0.91 112.91 116.33 1wf8 h THR 83 Ca 0.35 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1wf8 h THR 83 Cb 0.36 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1wf8 h THR 83 CO -0.26 0.07 -0.38 0.58 0.37 0.00 0.00 175.52 175.89 1wf8 h VAL 84 N -0.27 0.22 -0.51 3.16 2.07 -0.13 0.93 116.25 121.72 1wf8 h VAL 84 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1wf8 h VAL 84 Cb 0.22 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1wf8 h VAL 84 CO 0.02 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 178.01 1wf8 h LEU 85 N -0.64 0.00 0.00 2.57 3.38 -0.47 1.18 115.31 121.33 1wf8 h LEU 85 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1wf8 h LEU 85 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1wf8 h LEU 85 CO -0.20 0.00 -0.82 0.03 0.09 0.00 0.00 178.44 177.54 1wf8 h ARG 86 N 0.00 0.00 -0.01 1.13 3.08 0.91 -3.31 114.38 116.18 1wf8 h ARG 86 Ca 0.24 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.08 1wf8 h ARG 86 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.24 1wf8 h ARG 86 CO -0.00 0.27 -0.84 -0.91 -1.07 0.00 0.00 179.97 177.42 1wf8 h ASN 87 N 0.00 0.75 -2.07 7.04 2.35 0.85 -3.46 115.58 121.04 1wf8 h ASN 87 Ca -0.05 -0.74 -0.52 0.00 -0.55 0.00 0.00 56.30 54.43 1wf8 h ASN 87 Cb 1.33 -0.23 0.24 0.00 0.05 0.00 0.00 38.32 39.71 1wf8 h ASN 87 CO 0.04 1.39 -1.74 0.35 -1.65 0.00 0.00 177.43 175.82 1wf8 n THR 88 N -4.02 0.00 -3.93 2.81 -2.24 0.25 -5.02 114.28 102.13 1wf8 n THR 88 Ca -0.11 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wf8 n THR 88 Cb 0.79 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1wf8 n THR 88 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wf8 n LYS 89 N 1.16 0.59 0.00 -0.78 4.76 -1.26 -5.03 118.16 117.59 1wf8 n LYS 89 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wf8 n LYS 89 Cb 0.61 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 1wf8 n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wf8 n GLY 90 N 1.38 0.00 3.75 0.72 0.00 -1.26 -3.87 105.19 105.91 1wf8 n GLY 90 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1wf8 n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wf8 s ASN 91 N 0.00 7.48 -0.03 1.61 3.84 -1.25 0.19 114.94 126.77 1wf8 s ASN 91 Ca 0.00 1.75 -0.01 0.00 0.21 0.00 0.00 52.86 54.81 1wf8 s ASN 91 Cb 0.00 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.17 1wf8 s ASN 91 CO 0.00 0.11 0.06 -0.69 -2.79 0.00 0.00 177.10 173.79 1wf8 s VAL 92 N -0.76 -0.04 -0.41 -5.21 1.01 0.21 -4.94 120.40 110.26 1wf8 s VAL 92 Ca 0.40 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1wf8 s VAL 92 Cb -0.24 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.08 1wf8 s VAL 92 CO 0.28 0.06 0.26 -0.60 0.00 0.00 0.00 175.10 175.10 1wf8 s ARG 93 N 0.74 2.75 -0.25 2.72 3.52 -1.25 0.30 118.95 127.48 1wf8 s ARG 93 Ca -0.06 -1.29 -0.10 0.00 -0.13 0.00 0.00 55.73 54.15 1wf8 s ARG 93 Cb -0.08 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 1wf8 s ARG 93 CO -0.03 -0.87 0.15 -0.06 -0.81 0.00 0.00 175.30 173.69 1wf8 s PHE 94 N 1.51 3.26 -0.71 5.12 0.08 0.53 0.19 117.98 127.97 1wf8 s PHE 94 Ca 0.03 0.12 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 1wf8 s PHE 94 Cb -0.22 -2.28 0.18 0.00 -0.57 0.00 0.00 43.02 40.13 1wf8 s PHE 94 CO 0.05 -0.04 0.66 0.08 -0.10 0.00 0.00 175.22 175.86 1wf8 s VAL 95 N 1.27 5.45 0.54 -0.44 1.01 0.48 0.20 120.40 128.92 1wf8 s VAL 95 Ca 0.07 -2.06 -0.15 0.00 0.00 0.00 0.00 61.98 59.84 1wf8 s VAL 95 Cb -0.14 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.75 1wf8 s VAL 95 CO 0.06 -0.96 0.99 -0.63 0.00 0.00 0.00 175.10 174.56 1wf8 s ILE 96 N 0.77 4.59 -0.30 2.22 -1.09 -0.83 -0.97 121.20 125.59 1wf8 s ILE 96 Ca 0.12 1.10 0.02 0.00 -2.23 0.00 0.00 60.65 59.66 1wf8 s ILE 96 Cb -0.18 -3.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.02 1wf8 s ILE 96 CO -0.04 -0.82 0.03 -0.83 -1.23 0.00 0.00 174.94 172.05 1wf8 s GLY 97 N -3.40 1.52 0.15 6.18 0.00 -0.87 -1.89 107.32 109.01 1wf8 s GLY 97 Ca 0.58 -1.97 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1wf8 s GLY 97 CO 0.38 1.12 0.16 0.50 0.00 0.00 0.00 173.10 175.26 1wf8 s ARG 98 N 1.24 3.00 0.01 2.90 3.00 -0.54 -4.56 118.95 124.00 1wf8 s ARG 98 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 55.73 54.68 1wf8 s ARG 98 Cb -0.18 -2.71 -0.06 0.00 0.00 0.00 0.00 34.95 31.99 1wf8 s ARG 98 CO -0.12 0.50 1.50 -2.00 0.00 0.00 0.00 175.30 175.18 1wf8 s GLU 99 N -3.07 4.24 0.63 3.54 2.12 -1.26 0.19 118.70 125.09 1wf8 s GLU 99 Ca 0.32 2.09 -0.13 0.00 0.36 0.00 0.00 54.97 57.61 1wf8 s GLU 99 Cb -0.10 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 1wf8 s GLU 99 CO 0.24 -0.66 1.04 0.15 -0.54 0.00 0.00 175.26 175.49 1wf8 s LYS 100 N 2.69 3.36 1.05 4.30 1.02 -1.26 -4.83 119.74 126.07 1wf8 s LYS 100 Ca 0.68 0.94 -0.17 0.00 0.02 0.00 0.00 55.97 57.44 1wf8 s LYS 100 Cb -0.34 -2.05 0.22 0.00 -0.52 0.00 0.00 37.83 35.15 1wf8 s LYS 100 CO 0.28 -0.76 1.20 -1.25 -0.92 0.00 0.00 175.35 173.91 1wf8 s PRO 101 N -4.75 0.00 -0.33 -1.68 0.04 -1.26 -5.05 135.00 121.97 1wf8 s PRO 101 Ca 0.58 -0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.41 1wf8 s PRO 101 Cb -0.13 -1.75 0.22 0.00 0.04 0.00 0.00 34.50 32.88 1wf8 s PRO 101 CO 0.48 -2.88 1.13 0.45 0.04 0.00 0.00 177.00 176.21 1wf8 n SER 102 N -4.16 -1.38 0.00 6.66 2.88 -1.26 -5.02 113.62 111.34 1wf8 n SER 102 Ca 0.13 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 1wf8 n SER 102 Cb 0.59 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.75 1wf8 n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf8 n GLY 103 N 2.49 1.50 2.87 0.46 0.00 -1.26 -4.66 105.19 106.59 1wf8 n GLY 103 Ca 0.11 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 1wf8 n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wf8 n PRO 104 N 1.42 -1.82 -3.59 1.61 -0.04 -1.26 -5.10 135.00 126.21 1wf8 n PRO 104 Ca 0.00 -1.48 -0.04 0.00 -0.04 0.00 0.00 63.50 61.94 1wf8 n PRO 104 Cb 0.00 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1wf8 n PRO 104 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wf8 s SER 105 N -4.31 -0.17 -0.11 3.54 0.01 -1.26 -5.15 113.70 106.25 1wf8 s SER 105 Ca 0.57 -0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.64 1wf8 s SER 105 Cb -0.03 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 1wf8 s SER 105 CO 0.42 -0.37 0.30 -0.55 0.41 0.00 0.00 173.24 173.45 1wf8 s SER 106 N -2.45 6.54 0.00 2.44 0.15 -1.26 -5.29 113.70 113.82 1wf8 s SER 106 Ca 0.10 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.43 1wf8 s SER 106 Cb 0.00 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1wf8 s SER 106 CO -0.05 0.21 0.65 0.61 1.20 0.00 0.00 173.24 175.87