#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 6.97 0.94 1.61 0.15 -1.26 -5.07 113.70 117.04 1wf8 s SER 2 Ca 0.00 1.16 -0.15 0.00 0.70 0.00 0.00 55.95 57.66 1wf8 s SER 2 Cb 0.00 -2.36 0.18 0.00 -1.71 0.00 0.00 66.02 62.13 1wf8 s SER 2 CO 0.00 0.13 1.29 -0.94 1.20 0.00 0.00 173.24 174.93 1wf8 s SER 3 N -0.34 3.35 0.00 5.45 1.04 -1.26 -5.04 113.70 116.90 1wf8 s SER 3 Ca 0.30 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wf8 s SER 3 Cb -0.18 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1wf8 s SER 3 CO 0.17 -2.60 0.00 0.61 0.98 0.00 0.00 173.24 172.40 1wf8 n GLY 4 N -3.62 -0.82 0.73 7.32 0.00 -1.26 -5.17 105.19 102.37 1wf8 n GLY 4 Ca 0.14 0.44 0.10 0.00 0.00 0.00 0.00 46.02 46.70 1wf8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf8 n SER 5 N -0.00 -4.37 0.00 1.61 2.88 -1.26 -5.06 113.62 107.42 1wf8 n SER 5 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wf8 n SER 5 Cb 0.00 -2.30 0.00 0.00 -0.75 0.00 0.00 64.21 61.16 1wf8 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf8 n SER 6 N -3.13 0.00 -3.90 -3.46 7.64 -1.26 -5.09 113.62 104.42 1wf8 n SER 6 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 1wf8 n SER 6 Cb 0.34 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 1wf8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf8 n GLY 7 N -0.21 4.33 3.34 0.23 0.00 -1.26 -5.04 105.19 106.57 1wf8 n GLY 7 Ca 0.00 -2.64 -0.22 0.00 0.00 0.00 0.00 46.02 43.16 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 -1.76 2.44 -0.79 0.99 2.01 -1.26 -3.92 118.68 116.39 1wf8 s LEU 8 Ca 0.30 -0.87 -0.20 0.00 0.01 0.00 0.00 54.13 53.37 1wf8 s LEU 8 Cb -0.01 -0.85 0.11 0.00 0.01 0.00 0.00 46.19 45.45 1wf8 s LEU 8 CO -0.10 -0.03 1.01 -0.70 1.01 0.00 0.00 176.35 177.55 1wf8 s GLU 9 N -2.82 3.35 -0.42 1.70 2.12 0.57 -4.84 118.70 118.36 1wf8 s GLU 9 Ca 0.16 -1.37 -0.19 0.00 0.36 0.00 0.00 54.97 53.93 1wf8 s GLU 9 Cb -0.06 -4.58 0.02 0.00 0.26 0.00 0.00 34.13 29.77 1wf8 s GLU 9 CO 0.07 -1.76 0.53 -0.51 -0.54 0.00 0.00 175.26 173.05 1wf8 s LEU 10 N 3.17 4.64 -0.03 2.70 2.01 -1.25 -0.69 118.68 129.23 1wf8 s LEU 10 Ca 0.26 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 53.98 1wf8 s LEU 10 Cb -0.12 -2.55 0.01 0.00 0.01 0.00 0.00 46.19 43.54 1wf8 s LEU 10 CO -0.00 -0.64 -0.08 0.72 1.01 0.00 0.00 176.35 177.35 1wf8 s PHE 11 N 2.44 0.94 0.12 0.29 -0.71 -0.77 -4.96 117.98 115.33 1wf8 s PHE 11 Ca 0.17 -0.26 -0.30 0.00 -1.04 0.00 0.00 56.93 55.50 1wf8 s PHE 11 Cb -0.16 -0.70 -0.07 0.00 -1.21 0.00 0.00 43.02 40.88 1wf8 s PHE 11 CO 0.16 -0.13 1.14 -1.25 -1.34 0.00 0.00 175.22 173.79 1wf8 s PRO 12 N 0.38 4.52 -0.11 1.99 0.04 -1.26 -1.98 135.00 138.58 1wf8 s PRO 12 Ca -0.06 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1wf8 s PRO 12 Cb -0.10 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1wf8 s PRO 12 CO 0.01 -0.08 -0.18 0.08 0.04 0.00 0.00 177.00 176.87 1wf8 s VAL 13 N 0.38 1.68 0.10 -0.36 1.01 0.49 -4.88 120.40 118.82 1wf8 s VAL 13 Ca 0.54 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1wf8 s VAL 13 Cb -0.29 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 1wf8 s VAL 13 CO 0.32 0.48 0.69 -1.61 0.00 0.00 0.00 175.10 174.98 1wf8 s GLU 14 N 0.85 4.41 -0.03 2.72 2.02 -1.26 0.16 118.70 127.57 1wf8 s GLU 14 Ca -0.09 0.96 -0.02 0.00 0.02 0.00 0.00 54.97 55.84 1wf8 s GLU 14 Cb -0.15 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.81 1wf8 s GLU 14 CO -0.00 0.52 0.07 -0.51 0.02 0.00 0.00 175.26 175.36 1wf8 s LEU 15 N -0.84 1.59 -0.33 1.80 1.43 0.11 -4.93 118.68 117.50 1wf8 s LEU 15 Ca 0.33 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1wf8 s LEU 15 Cb -0.21 0.22 0.03 0.00 0.03 0.00 0.00 46.19 46.26 1wf8 s LEU 15 CO 0.22 -0.04 0.12 -1.61 0.23 0.00 0.00 176.35 175.27 1wf8 s GLU 16 N 0.23 2.80 0.66 1.70 2.02 -1.25 0.16 118.70 125.01 1wf8 s GLU 16 Ca -0.02 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 53.74 1wf8 s GLU 16 Cb -0.03 -3.49 -0.13 0.00 0.10 0.00 0.00 34.13 30.58 1wf8 s GLU 16 CO -0.01 -0.61 -0.17 1.63 0.02 0.00 0.00 175.26 176.13 1wf8 n LYS 17 N 4.87 0.06 -4.65 1.61 5.02 0.49 -4.88 118.16 120.68 1wf8 n LYS 17 Ca -0.13 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.90 1wf8 n LYS 17 Cb 0.46 -1.15 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.08 3.60 0.56 4.39 1.01 0.49 -4.91 116.67 120.73 1wf8 s ASP 18 Ca 0.54 -1.60 0.43 0.00 0.71 0.00 0.00 52.55 52.63 1wf8 s ASP 18 Cb -0.40 0.36 1.60 0.00 1.01 0.00 0.00 42.92 45.49 1wf8 s ASP 18 CO 0.69 -0.81 1.65 1.05 0.21 0.00 0.00 175.17 177.96 1wf8 h GLU 19 N 1.58 0.00 -1.40 8.23 4.11 -1.97 1.27 114.58 126.40 1wf8 h GLU 19 Ca -0.41 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.41 1wf8 h GLU 19 Cb 1.29 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.14 1wf8 h GLU 19 CO 0.70 0.00 -0.47 -3.47 0.07 0.00 0.00 179.01 175.84 1wf8 n ASP 20 N -3.96 5.22 0.00 3.06 -0.08 -1.26 -5.08 116.55 114.46 1wf8 n ASP 20 Ca 0.34 -3.74 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 1wf8 n ASP 20 Cb 1.65 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 44.58 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 -0.55 1.26 0.29 0.27 0.00 0.44 -3.64 105.19 103.25 1wf8 n GLY 21 Ca 0.43 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.58 -0.26 0.99 3.38 -1.90 1.44 115.31 118.38 1wf8 h LEU 22 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wf8 h LEU 22 Cb 0.00 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wf8 h LEU 22 CO 0.00 -0.20 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1wf8 n GLY 23 N -0.42 0.59 3.07 0.83 0.00 -1.24 -2.21 105.19 105.82 1wf8 n GLY 23 Ca -0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.46 0.37 0.06 -0.61 -4.36 -1.26 -2.31 121.20 111.62 1wf8 s ILE 24 Ca 0.00 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 59.00 1wf8 s ILE 24 Cb 0.00 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 1wf8 s ILE 24 CO 0.00 -0.71 -0.10 -0.44 0.24 0.00 0.00 174.94 173.93 1wf8 s SER 25 N -2.27 4.35 0.43 4.36 0.01 -0.52 -4.96 113.70 115.10 1wf8 s SER 25 Ca -0.02 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 56.98 1wf8 s SER 25 Cb -0.01 -0.87 -0.06 0.00 0.21 0.00 0.00 66.02 65.29 1wf8 s SER 25 CO -0.04 0.22 0.02 0.27 0.41 0.00 0.00 173.24 174.12 1wf8 s ILE 26 N -1.09 1.64 -0.11 1.44 -4.36 -1.26 -1.43 121.20 116.03 1wf8 s ILE 26 Ca 0.19 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.44 1wf8 s ILE 26 Cb -0.11 -2.74 0.03 0.00 1.25 0.00 0.00 42.46 40.89 1wf8 s ILE 26 CO 0.10 0.00 0.36 -0.51 0.24 0.00 0.00 174.94 175.13 1wf8 s ILE 27 N -2.84 0.01 -0.41 8.37 2.07 0.14 -4.24 121.20 124.30 1wf8 s ILE 27 Ca 0.27 -0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 59.21 1wf8 s ILE 27 Cb 0.07 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.13 1wf8 s ILE 27 CO 0.14 -0.06 0.51 -0.83 -1.91 0.00 0.00 174.94 172.78 1wf8 s GLY 28 N -0.20 1.83 0.13 1.50 0.00 -1.26 -2.30 107.32 107.01 1wf8 s GLY 28 Ca -0.04 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1wf8 s GLY 28 CO 0.02 1.29 -0.09 1.06 0.00 0.00 0.00 173.10 175.38 1wf8 s MET 29 N 2.39 0.98 -0.32 2.90 -1.94 -1.14 -5.01 119.30 117.15 1wf8 s MET 29 Ca 0.16 -1.41 -0.08 0.00 -1.71 0.00 0.00 55.69 52.66 1wf8 s MET 29 Cb -0.16 -0.46 0.01 0.00 2.01 0.00 0.00 34.83 36.24 1wf8 s MET 29 CO 0.15 0.04 0.12 0.20 -0.01 0.00 0.00 175.02 175.51 1wf8 s GLY 30 N -3.12 1.83 -0.06 -0.03 0.00 -1.26 0.96 107.32 105.64 1wf8 s GLY 30 Ca 0.15 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.22 1wf8 s GLY 30 CO -0.01 0.71 0.29 0.14 0.00 0.00 0.00 173.10 174.22 1wf8 s VAL 31 N 1.51 5.25 -1.14 1.40 1.01 -0.96 -4.42 120.40 123.04 1wf8 s VAL 31 Ca 0.02 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 1wf8 s VAL 31 Cb -0.18 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1wf8 s VAL 31 CO 0.04 0.59 0.23 0.61 0.00 0.00 0.00 175.10 176.57 1wf8 n GLY 32 N 1.96 -0.34 3.64 4.51 0.00 -1.26 -2.98 105.19 110.71 1wf8 n GLY 32 Ca -0.16 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.99 3.26 -0.72 4.61 0.00 -1.26 -4.47 121.76 119.19 1wf8 s ALA 33 Ca 0.17 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 53.08 1wf8 s ALA 33 Cb -0.10 -3.91 0.38 0.00 0.00 0.00 0.00 23.12 19.49 1wf8 s ALA 33 CO 0.80 -2.01 1.78 -0.25 0.00 0.00 0.00 175.76 176.09 1wf8 n ASP 34 N 8.95 6.80 0.00 0.00 8.00 -1.26 -4.87 116.55 134.17 1wf8 n ASP 34 Ca 0.22 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.92 1wf8 n ASP 34 Cb 0.43 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 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 -0.56 0.00 0.07 2.24 0.00 -1.26 -2.32 120.51 118.67 1wf8 n ALA 35 Ca 0.51 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.96 1wf8 n ALA 35 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 0.56 2.02 0.00 0.00 -1.26 -4.58 105.19 101.93 1wf8 n GLY 36 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.19 6.11 -4.82 0.99 4.32 -0.98 -4.96 117.00 116.47 1wf8 n LEU 37 Ca 0.00 -3.25 -0.32 0.00 -0.02 0.00 0.00 56.01 52.42 1wf8 n LEU 37 Cb 0.04 -0.78 0.02 0.00 -1.62 0.00 0.00 43.42 41.07 1wf8 n LEU 37 CO 0.04 0.96 0.71 -1.83 -1.22 0.00 0.00 177.39 176.05 1wf8 s GLU 38 N -2.73 3.30 -0.36 3.23 -1.05 -1.26 -4.11 118.70 115.72 1wf8 s GLU 38 Ca 0.47 1.07 0.01 0.00 -0.15 0.00 0.00 54.97 56.37 1wf8 s GLU 38 Cb 0.40 -2.04 0.11 0.00 -0.44 0.00 0.00 34.13 32.16 1wf8 s GLU 38 CO 0.09 -0.82 0.13 0.15 0.95 0.00 0.00 175.26 175.76 1wf8 s LYS 39 N -4.44 1.12 -0.22 -4.83 1.02 -1.16 -4.91 119.74 106.32 1wf8 s LYS 39 Ca 0.61 -1.58 -0.33 0.00 0.02 0.00 0.00 55.97 54.68 1wf8 s LYS 39 Cb -0.14 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 1wf8 s LYS 39 CO 0.43 -1.02 2.09 -0.11 -0.92 0.00 0.00 175.35 175.82 1wf8 n LEU 40 N 4.30 2.93 -4.59 3.17 7.94 -1.26 -2.28 117.00 127.21 1wf8 n LEU 40 Ca 0.02 0.55 -0.41 0.00 -1.11 0.00 0.00 56.01 55.07 1wf8 n LEU 40 Cb 0.40 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 42.89 1wf8 n LEU 40 CO 0.18 -0.47 0.30 -0.83 -1.11 0.00 0.00 177.39 175.46 1wf8 s GLY 41 N 6.44 1.80 -0.79 -3.96 0.00 0.27 0.15 107.32 111.23 1wf8 s GLY 41 Ca 1.01 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 44.72 1wf8 s GLY 41 CO 0.46 1.35 1.22 -0.42 0.00 0.00 0.00 173.10 175.71 1wf8 s ILE 42 N 2.48 4.00 0.40 0.90 -1.09 -1.22 -2.87 121.20 123.79 1wf8 s ILE 42 Ca 0.22 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.47 1wf8 s ILE 42 Cb -0.15 -4.88 -0.01 0.00 -1.58 0.00 0.00 42.46 35.84 1wf8 s ILE 42 CO 0.12 -1.75 0.59 -0.36 -1.23 0.00 0.00 174.94 172.31 1wf8 s PHE 43 N 4.91 3.22 -0.35 3.97 0.08 -0.97 -1.51 117.98 127.32 1wf8 s PHE 43 Ca 0.34 0.10 -0.20 0.00 0.12 0.00 0.00 56.93 57.28 1wf8 s PHE 43 Cb -0.08 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1wf8 s PHE 43 CO 0.07 -0.19 0.63 0.08 -0.10 0.00 0.00 175.22 175.71 1wf8 s VAL 44 N -2.40 4.89 0.14 -0.44 1.01 0.19 0.25 120.40 124.04 1wf8 s VAL 44 Ca 0.46 0.59 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 1wf8 s VAL 44 Cb -0.10 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1wf8 s VAL 44 CO 0.35 -0.31 1.62 0.50 0.00 0.00 0.00 175.10 177.26 1wf8 h LYS 45 N 8.45 0.78 -2.44 2.72 1.63 -1.42 0.82 116.57 127.11 1wf8 h LYS 45 Ca -0.26 -0.22 0.21 0.00 -0.85 0.00 0.00 60.65 59.53 1wf8 h LYS 45 Cb 1.11 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 1wf8 h LYS 45 CO 0.83 0.80 0.67 -0.08 -3.45 0.00 0.00 179.45 178.23 1wf8 s THR 46 N -5.16 0.00 -0.06 1.00 -1.32 -1.25 -4.57 115.64 104.29 1wf8 s THR 46 Ca -0.13 -0.47 0.02 0.00 -1.21 0.00 0.00 61.69 59.90 1wf8 s THR 46 Cb 0.11 -2.94 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1wf8 s THR 46 CO 0.80 0.00 -0.10 -0.69 -2.21 0.00 0.00 174.62 172.42 1wf8 s VAL 47 N -2.10 0.95 0.31 5.08 1.01 -1.26 -1.43 120.40 122.95 1wf8 s VAL 47 Ca 0.24 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1wf8 s VAL 47 Cb -0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 36.38 35.35 1wf8 s VAL 47 CO 0.04 0.31 1.48 0.41 0.00 0.00 0.00 175.10 177.34 1wf8 n THR 48 N 3.88 1.41 -2.30 3.92 -1.04 -0.98 -4.88 114.28 114.29 1wf8 n THR 48 Ca -0.24 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.00 1wf8 n THR 48 Cb 0.51 -1.79 -0.02 0.00 -1.82 0.00 0.00 70.33 67.21 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 -1.10 3.34 0.00 -2.82 2.12 -1.26 -2.47 118.70 116.52 1wf8 s GLU 49 Ca 0.61 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.69 1wf8 s GLU 49 Cb -0.54 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 29.73 1wf8 s GLU 49 CO 0.55 -1.86 0.00 0.41 -0.54 0.00 0.00 175.26 173.81 1wf8 n GLY 50 N 5.25 1.26 0.00 -1.50 0.00 -1.26 -5.09 105.19 103.85 1wf8 n GLY 50 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.06 1.23 0.13 -0.02 0.00 -1.03 -4.86 105.19 99.58 1wf8 n GLY 51 Ca 0.00 -1.81 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 1wf8 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf8 n ALA 52 N -3.00 0.88 -0.03 4.61 0.00 -0.94 -2.91 120.51 119.12 1wf8 n ALA 52 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1wf8 n ALA 52 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 19.45 18.89 1wf8 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wf8 h ALA 53 N -0.20 0.61 0.41 0.00 0.00 -1.81 -2.24 119.26 116.02 1wf8 h ALA 53 Ca -0.42 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 1wf8 h ALA 53 Cb 1.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1wf8 h ALA 53 CO -0.06 0.69 -0.20 0.37 0.00 0.00 0.00 179.25 180.05 1wf8 h GLN 54 N 0.53 -0.53 -0.85 0.00 -0.00 -1.77 -2.56 115.11 109.92 1wf8 h GLN 54 Ca 0.01 0.04 0.22 0.00 -0.00 0.00 0.00 58.65 58.92 1wf8 h GLN 54 Cb 1.11 0.12 -0.14 0.00 0.00 0.00 0.00 27.48 28.57 1wf8 h GLN 54 CO 0.11 -0.35 0.15 0.00 0.00 0.00 0.00 178.83 178.74 1wf8 h ARG 55 N -0.68 0.16 -0.22 1.69 3.08 -1.62 0.14 114.38 116.92 1wf8 h ARG 55 Ca -0.06 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1wf8 h ARG 55 Cb 0.42 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1wf8 h ARG 55 CO 0.09 0.10 -0.41 0.22 -1.07 0.00 0.00 179.97 178.91 1wf8 h ASP 56 N 0.16 -1.30 0.00 7.04 3.58 -1.37 -3.46 116.42 121.07 1wf8 h ASP 56 Ca 0.51 0.18 0.00 0.00 0.42 0.00 0.00 57.03 58.15 1wf8 h ASP 56 Cb 1.01 0.55 0.00 0.00 1.72 0.00 0.00 39.33 42.60 1wf8 h ASP 56 CO -0.68 -0.40 0.00 0.61 -2.88 0.00 0.00 179.24 175.89 1wf8 n GLY 57 N -1.43 0.68 0.01 -0.78 0.00 0.47 -4.96 105.19 99.18 1wf8 n GLY 57 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wf8 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wf8 h ARG 58 N 4.22 0.00 -6.45 1.61 2.47 -1.83 -3.45 114.38 110.95 1wf8 h ARG 58 Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 1wf8 h ARG 58 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1wf8 h ARG 58 CO 0.00 0.00 0.86 0.42 0.56 0.00 0.00 179.97 181.81 1wf8 s ILE 59 N -1.10 3.34 0.49 2.04 1.01 -1.26 -5.00 121.20 120.70 1wf8 s ILE 59 Ca -0.01 0.83 0.05 0.00 0.00 0.00 0.00 60.65 61.52 1wf8 s ILE 59 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1wf8 s ILE 59 CO 0.01 0.02 0.24 -1.10 0.00 0.00 0.00 174.94 174.11 1wf8 s GLN 60 N 2.08 2.24 0.43 2.79 -1.52 -1.26 -4.67 119.66 119.75 1wf8 s GLN 60 Ca 0.67 -2.03 -0.22 0.00 -1.95 0.00 0.00 55.36 51.84 1wf8 s GLN 60 Cb -0.36 -1.94 -0.10 0.00 -0.22 0.00 0.00 33.01 30.39 1wf8 s GLN 60 CO 0.29 -0.38 0.98 0.08 -0.25 0.00 0.00 175.29 176.02 1wf8 s VAL 61 N -2.73 4.13 0.00 1.09 1.01 -1.26 -3.01 120.40 119.63 1wf8 s VAL 61 Ca 0.31 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1wf8 s VAL 61 Cb 0.01 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wf8 s VAL 61 CO 0.18 -0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.65 1wf8 n ASN 62 N -0.55 0.00 -4.59 3.32 3.02 0.28 -4.94 115.26 111.80 1wf8 n ASN 62 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 1wf8 n ASN 62 Cb 0.53 -0.29 0.21 0.00 -0.61 0.00 0.00 39.78 39.62 1wf8 n ASN 62 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wf8 s ASP 63 N -2.92 2.00 -0.13 6.41 1.11 -1.16 -4.46 116.67 117.52 1wf8 s ASP 63 Ca 0.00 1.64 0.01 0.00 0.18 0.00 0.00 52.55 54.38 1wf8 s ASP 63 Cb 0.00 -2.30 0.02 0.00 1.07 0.00 0.00 42.92 41.71 1wf8 s ASP 63 CO 0.00 -3.59 -0.13 -1.58 1.18 0.00 0.00 175.17 171.05 1wf8 s GLN 64 N -4.63 2.13 -0.91 8.23 0.74 -1.26 0.53 119.66 124.48 1wf8 s GLN 64 Ca 0.67 -0.50 -0.20 0.00 0.05 0.00 0.00 55.36 55.38 1wf8 s GLN 64 Cb -0.23 -1.93 0.11 0.00 1.10 0.00 0.00 33.01 32.07 1wf8 s GLN 64 CO 0.61 -0.18 1.16 0.42 -0.55 0.00 0.00 175.29 176.75 1wf8 s ILE 65 N 1.34 4.56 0.21 -2.34 1.01 -0.57 -2.14 121.20 123.27 1wf8 s ILE 65 Ca 0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 1wf8 s ILE 65 Cb -0.13 -4.81 0.01 0.00 0.01 0.00 0.00 42.46 37.53 1wf8 s ILE 65 CO -0.07 -1.57 1.59 0.58 0.00 0.00 0.00 174.94 175.47 1wf8 h VAL 66 N 6.00 1.28 -2.88 2.92 2.07 -1.49 -3.31 116.25 120.84 1wf8 h VAL 66 Ca 0.12 -1.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.05 1wf8 h VAL 66 Cb 1.03 1.41 -0.20 0.00 -1.52 0.00 0.00 31.29 32.00 1wf8 h VAL 66 CO 1.16 0.48 -0.21 -0.70 0.02 0.00 0.00 177.57 178.32 1wf8 s GLU 67 N -4.40 0.71 -0.20 1.57 2.12 -1.20 -1.96 118.70 115.34 1wf8 s GLU 67 Ca -0.09 -0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.13 1wf8 s GLU 67 Cb 0.12 0.32 0.06 0.00 0.26 0.00 0.00 34.13 34.89 1wf8 s GLU 67 CO 0.84 -0.20 0.03 0.08 -0.54 0.00 0.00 175.26 175.47 1wf8 s VAL 68 N -1.22 0.59 -0.48 3.70 1.01 0.62 0.06 120.40 124.68 1wf8 s VAL 68 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1wf8 s VAL 68 Cb -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1wf8 s VAL 68 CO 0.05 -0.23 0.00 0.47 0.00 0.00 0.00 175.10 175.39 1wf8 n ASP 69 N 5.02 -5.51 0.00 3.32 8.00 0.80 -0.08 116.55 128.11 1wf8 n ASP 69 Ca -0.09 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1wf8 n ASP 69 Cb 0.47 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 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 0.18 1.39 3.69 0.44 0.00 -1.26 -4.95 105.19 104.67 1wf8 n GLY 70 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.09 4.99 -0.18 -0.61 1.01 0.88 -5.01 121.20 120.20 1wf8 s ILE 71 Ca 0.00 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 1wf8 s ILE 71 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1wf8 s ILE 71 CO 0.00 0.17 1.35 -0.94 0.00 0.00 0.00 174.94 175.52 1wf8 s SER 72 N 0.96 6.81 -0.17 3.58 1.04 -1.26 0.23 113.70 124.89 1wf8 s SER 72 Ca 0.37 1.67 0.16 0.00 0.48 0.00 0.00 55.95 58.63 1wf8 s SER 72 Cb -0.17 -2.54 0.70 0.00 0.10 0.00 0.00 66.02 64.12 1wf8 s SER 72 CO 0.16 -0.88 1.62 0.18 0.98 0.00 0.00 173.24 175.30 1wf8 n LEU 73 N 7.01 4.90 -4.53 2.42 4.77 -0.83 -4.87 117.00 125.88 1wf8 n LEU 73 Ca 0.15 -2.73 -0.32 0.00 -0.03 0.00 0.00 56.01 53.07 1wf8 n LEU 73 Cb 0.45 -0.60 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1wf8 n LEU 73 CO 0.59 0.71 -0.43 0.54 -1.33 0.00 0.00 177.39 177.47 1wf8 s VAL 74 N -2.37 3.31 -1.01 4.08 0.11 -1.24 -3.43 120.40 119.85 1wf8 s VAL 74 Ca 0.49 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1wf8 s VAL 74 Cb 0.36 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1wf8 s VAL 74 CO 0.18 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1wf8 n GLY 75 N 1.94 0.57 3.30 6.54 0.00 0.39 -4.87 105.19 113.06 1wf8 n GLY 75 Ca -0.17 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.45 1.66 0.33 1.61 -7.23 -1.15 -4.46 120.40 108.71 1wf8 s VAL 76 Ca 0.00 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 1wf8 s VAL 76 Cb 0.00 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 1wf8 s VAL 76 CO 0.00 -0.30 1.27 0.28 -0.31 0.00 0.00 175.10 176.05 1wf8 s THR 77 N -1.91 2.83 0.27 5.32 -1.32 -1.26 -4.59 115.64 114.97 1wf8 s THR 77 Ca 0.12 0.82 0.05 0.00 -1.21 0.00 0.00 61.69 61.47 1wf8 s THR 77 Cb -0.06 -3.52 0.34 0.00 -1.51 0.00 0.00 72.50 67.75 1wf8 s THR 77 CO 0.05 0.19 1.31 1.67 -2.21 0.00 0.00 174.62 175.63 1wf8 n GLN 78 N 0.79 -0.06 0.05 7.08 0.00 -1.26 0.41 117.38 124.39 1wf8 n GLN 78 Ca 0.00 1.23 -0.10 0.00 -0.00 0.00 0.00 57.00 58.14 1wf8 n GLN 78 Cb 0.42 -2.00 -0.06 0.00 0.00 0.00 0.00 30.24 28.60 1wf8 n GLN 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1wf8 h ASN 79 N 0.00 -0.98 -0.93 1.69 4.21 -1.99 0.80 115.58 118.38 1wf8 h ASN 79 Ca 0.54 0.11 0.15 0.00 1.21 0.00 0.00 56.30 58.31 1wf8 h ASN 79 Cb 1.20 0.37 -0.15 0.00 -1.12 0.00 0.00 38.32 38.61 1wf8 h ASN 79 CO -0.76 -0.33 -0.34 0.33 -1.29 0.00 0.00 177.43 175.04 1wf8 n PHE 80 N -4.27 0.07 0.24 1.19 -0.00 0.17 -0.06 117.46 114.80 1wf8 n PHE 80 Ca -0.05 1.14 -0.17 0.00 -0.00 0.00 0.00 57.45 58.38 1wf8 n PHE 80 Cb 0.24 -0.87 -0.09 0.00 -0.00 0.00 0.00 39.48 38.76 1wf8 n PHE 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1wf8 h ALA 81 N 1.36 -0.96 -0.85 3.13 0.00 -1.00 -1.13 119.26 119.82 1wf8 h ALA 81 Ca 0.34 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1wf8 h ALA 81 Cb 0.57 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1wf8 h ALA 81 CO -0.93 -1.09 -0.30 0.00 0.00 0.00 0.00 179.25 176.93 1wf8 h ALA 82 N -0.56 0.29 -0.22 0.00 0.00 0.19 0.35 119.26 119.30 1wf8 h ALA 82 Ca -0.03 0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1wf8 h ALA 82 Cb 0.78 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1wf8 h ALA 82 CO -0.11 -0.54 -0.29 1.15 0.00 0.00 0.00 179.25 179.46 1wf8 h THR 83 N -0.04 0.31 0.08 0.00 2.02 -0.16 0.55 112.91 115.68 1wf8 h THR 83 Ca 0.35 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.55 1wf8 h THR 83 Cb 0.60 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1wf8 h THR 83 CO -0.88 0.00 -0.54 0.58 0.37 0.00 0.00 175.52 175.06 1wf8 h VAL 84 N -0.31 0.00 -0.19 3.16 2.07 0.81 1.71 116.25 123.49 1wf8 h VAL 84 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1wf8 h VAL 84 Cb 0.51 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1wf8 h VAL 84 CO -0.40 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.40 1wf8 h LEU 85 N -0.73 0.00 0.00 2.57 3.38 -0.34 0.92 115.31 121.11 1wf8 h LEU 85 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1wf8 h LEU 85 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1wf8 h LEU 85 CO -0.32 0.00 -0.99 -0.09 0.09 0.00 0.00 178.44 177.13 1wf8 h ARG 86 N 0.00 0.00 0.20 1.13 2.43 0.52 -3.33 114.38 115.33 1wf8 h ARG 86 Ca 0.09 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.94 1wf8 h ARG 86 Cb 0.66 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1wf8 h ARG 86 CO -0.00 0.36 -1.50 -0.91 -1.51 0.00 0.00 179.97 176.41 1wf8 h ASN 87 N 0.00 0.66 -1.89 -3.80 2.35 0.90 -3.47 115.58 110.33 1wf8 h ASN 87 Ca -0.08 -0.92 -0.52 0.00 -0.55 0.00 0.00 56.30 54.22 1wf8 h ASN 87 Cb 1.46 -0.22 0.22 0.00 0.05 0.00 0.00 38.32 39.84 1wf8 h ASN 87 CO 0.05 1.70 -1.72 0.35 -1.65 0.00 0.00 177.43 176.16 1wf8 n THR 88 N -3.75 0.00 -4.21 2.81 -2.24 0.18 -5.00 114.28 102.07 1wf8 n THR 88 Ca -0.21 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1wf8 n THR 88 Cb 1.03 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 2.30 0.73 0.00 -0.78 5.02 -1.26 -5.02 118.16 119.15 1wf8 n LYS 89 Ca -0.01 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 1wf8 n LYS 89 Cb 0.52 0.84 0.00 0.00 -0.02 0.00 0.00 35.03 36.38 1wf8 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf8 n GLY 90 N 0.88 0.00 3.75 0.72 0.00 -1.26 -3.84 105.19 105.43 1wf8 n GLY 90 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 7.40 -0.06 1.61 3.84 -1.25 0.19 114.94 126.66 1wf8 s ASN 91 Ca 0.00 2.07 -0.03 0.00 0.21 0.00 0.00 52.86 55.11 1wf8 s ASN 91 Cb 0.00 -2.61 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1wf8 s ASN 91 CO 0.00 -0.07 0.12 -0.69 -2.79 0.00 0.00 177.10 173.67 1wf8 s VAL 92 N -0.75 -0.16 -0.34 -5.21 1.01 0.41 -4.93 120.40 110.43 1wf8 s VAL 92 Ca 0.45 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 1wf8 s VAL 92 Cb -0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1wf8 s VAL 92 CO 0.35 0.13 0.43 -0.60 0.00 0.00 0.00 175.10 175.42 1wf8 s ARG 93 N 1.87 3.59 -0.21 2.72 3.52 -1.25 0.06 118.95 129.26 1wf8 s ARG 93 Ca -0.01 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 1wf8 s ARG 93 Cb -0.12 -3.81 -0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1wf8 s ARG 93 CO -0.05 -0.58 -0.02 -0.06 -0.81 0.00 0.00 175.30 173.79 1wf8 s PHE 94 N 2.18 3.00 -0.76 5.12 0.08 0.42 0.28 117.98 128.30 1wf8 s PHE 94 Ca 0.15 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 1wf8 s PHE 94 Cb -0.16 -2.09 0.19 0.00 -0.57 0.00 0.00 43.02 40.39 1wf8 s PHE 94 CO 0.12 -0.34 0.73 0.08 -0.10 0.00 0.00 175.22 175.71 1wf8 s VAL 95 N 1.15 5.43 0.47 -0.44 1.01 0.11 0.18 120.40 128.32 1wf8 s VAL 95 Ca 0.02 -2.13 -0.19 0.00 0.00 0.00 0.00 61.98 59.68 1wf8 s VAL 95 Cb -0.14 -4.46 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 1wf8 s VAL 95 CO 0.01 -1.03 0.97 -0.63 0.00 0.00 0.00 175.10 174.42 1wf8 s ILE 96 N 0.75 4.39 -0.33 2.22 -1.09 -0.84 -1.26 121.20 125.05 1wf8 s ILE 96 Ca 0.15 1.35 0.01 0.00 -2.23 0.00 0.00 60.65 59.93 1wf8 s ILE 96 Cb -0.15 -3.63 0.08 0.00 -1.58 0.00 0.00 42.46 37.18 1wf8 s ILE 96 CO -0.06 -0.45 0.04 -0.83 -1.23 0.00 0.00 174.94 172.41 1wf8 s GLY 97 N -2.50 1.85 -0.03 6.18 0.00 -0.91 -1.86 107.32 110.05 1wf8 s GLY 97 Ca 0.61 -2.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.08 1wf8 s GLY 97 CO 0.21 0.83 0.24 -1.60 0.00 0.00 0.00 173.10 172.78 1wf8 s ARG 98 N 1.09 3.57 -0.15 2.90 6.06 0.13 -4.54 118.95 128.02 1wf8 s ARG 98 Ca 0.02 -0.05 -0.29 0.00 -2.50 0.00 0.00 55.73 52.91 1wf8 s ARG 98 Cb -0.20 -3.12 -0.04 0.00 0.06 0.00 0.00 34.95 31.65 1wf8 s ARG 98 CO -0.05 0.69 1.60 -1.21 -2.50 0.00 0.00 175.30 173.83 1wf8 s GLU 99 N -1.51 3.98 0.66 5.12 2.02 -1.26 0.21 118.70 127.92 1wf8 s GLU 99 Ca 0.24 1.86 -0.13 0.00 0.02 0.00 0.00 54.97 56.96 1wf8 s GLU 99 Cb -0.13 -3.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 1wf8 s GLU 99 CO 0.13 -1.07 1.06 0.15 0.02 0.00 0.00 175.26 175.55 1wf8 s LYS 100 N 4.33 3.06 1.12 1.61 1.02 -1.25 -4.88 119.74 124.74 1wf8 s LYS 100 Ca 0.71 1.06 -0.19 0.00 0.02 0.00 0.00 55.97 57.57 1wf8 s LYS 100 Cb -0.28 -2.00 0.27 0.00 -0.52 0.00 0.00 37.83 35.30 1wf8 s LYS 100 CO 0.28 -1.01 1.24 -1.25 -0.92 0.00 0.00 175.35 173.68 1wf8 s PRO 101 N -4.65 -0.61 -0.76 -1.68 0.04 -1.26 -4.56 135.00 121.52 1wf8 s PRO 101 Ca 0.60 -0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.24 1wf8 s PRO 101 Cb -0.15 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1wf8 s PRO 101 CO 0.48 -3.25 0.65 0.43 0.04 0.00 0.00 177.00 175.35 1wf8 n SER 102 N -4.37 -4.44 0.00 6.66 7.64 -1.26 -5.02 113.62 112.84 1wf8 n SER 102 Ca 0.16 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1wf8 n SER 102 Cb 0.59 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 1wf8 n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf8 n GLY 103 N -1.26 3.38 3.57 0.23 0.00 -1.26 -5.07 105.19 104.79 1wf8 n GLY 103 Ca -0.09 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1wf8 n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf8 s PRO 104 N 1.67 3.17 0.40 1.61 0.04 -1.26 -3.93 135.00 136.69 1wf8 s PRO 104 Ca 0.00 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 59.87 1wf8 s PRO 104 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1wf8 s PRO 104 CO 0.00 -2.96 0.00 0.43 0.04 0.00 0.00 177.00 174.51 1wf8 n SER 105 N 11.38 -3.22 -4.77 6.66 7.64 -1.26 -5.12 113.62 124.94 1wf8 n SER 105 Ca 0.42 0.75 -0.38 0.00 1.01 0.00 0.00 58.87 60.67 1wf8 n SER 105 Cb 0.48 3.06 -0.05 0.00 -1.01 0.00 0.00 64.21 66.69 1wf8 n SER 105 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf8 s SER 106 N -2.50 7.16 0.00 6.43 0.01 -1.25 -5.20 113.70 118.35 1wf8 s SER 106 Ca 0.00 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1wf8 s SER 106 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wf8 s SER 106 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05