#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf9 n SER 2 N 0.00 -1.88 -4.76 1.61 2.88 -1.26 -5.13 113.62 105.08 1wf9 n SER 2 Ca 0.00 0.59 -0.40 0.00 -1.33 0.00 0.00 58.87 57.74 1wf9 n SER 2 Cb 0.00 1.98 -0.04 0.00 -0.75 0.00 0.00 64.21 65.40 1wf9 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wf9 s SER 3 N -2.00 7.06 0.00 -3.46 0.15 -1.26 -5.02 113.70 109.17 1wf9 s SER 3 Ca 0.00 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.94 1wf9 s SER 3 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1wf9 s SER 3 CO 0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1wf9 n GLY 4 N 0.96 4.33 3.63 9.45 0.00 -1.26 -5.09 105.19 117.21 1wf9 n GLY 4 Ca 0.00 -1.30 -0.47 0.00 0.00 0.00 0.00 46.02 44.25 1wf9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf9 n SER 5 N -0.56 3.25 -4.58 1.61 7.64 -1.26 -4.83 113.62 114.89 1wf9 n SER 5 Ca 0.00 0.75 -0.36 0.00 1.01 0.00 0.00 58.87 60.27 1wf9 n SER 5 Cb 0.00 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 1wf9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wf9 s SER 6 N 5.37 5.97 0.34 6.43 0.15 -1.26 -4.85 113.70 125.85 1wf9 s SER 6 Ca 0.97 -1.93 -0.01 0.00 0.70 0.00 0.00 55.95 55.69 1wf9 s SER 6 Cb -0.64 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.08 1wf9 s SER 6 CO 0.48 -2.07 0.44 -0.83 1.20 0.00 0.00 173.24 172.46 1wf9 s GLY 7 N 5.46 1.65 -0.44 9.45 0.00 -1.26 -5.11 107.32 117.07 1wf9 s GLY 7 Ca 0.60 -1.62 -0.13 0.00 0.00 0.00 0.00 44.72 43.56 1wf9 s GLY 7 CO 0.08 -1.09 0.33 -1.59 0.00 0.00 0.00 173.10 170.83 1wf9 s THR 8 N -3.11 4.93 0.12 0.90 2.01 -1.18 -4.95 115.64 114.36 1wf9 s THR 8 Ca 0.32 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.06 1wf9 s THR 8 Cb 0.00 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 1wf9 s THR 8 CO 0.22 -0.49 0.62 -0.32 -0.69 0.00 0.00 174.62 173.95 1wf9 s MET 9 N 1.59 4.22 0.10 4.92 1.75 -1.26 -0.73 119.30 129.88 1wf9 s MET 9 Ca 0.04 0.77 0.08 0.00 -1.25 0.00 0.00 55.69 55.33 1wf9 s MET 9 Cb -0.23 -3.13 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 1wf9 s MET 9 CO 0.06 0.56 -0.21 -0.51 -0.65 0.00 0.00 175.02 174.27 1wf9 s LEU 10 N -1.41 2.29 -0.44 4.11 1.43 -0.46 -3.18 118.68 121.02 1wf9 s LEU 10 Ca 0.34 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1wf9 s LEU 10 Cb -0.19 -0.92 0.11 0.00 0.03 0.00 0.00 46.19 45.22 1wf9 s LEU 10 CO 0.20 0.07 0.29 -0.13 0.23 0.00 0.00 176.35 177.01 1wf9 s ARG 11 N -1.87 2.39 0.26 1.70 0.52 -1.21 -2.03 118.95 118.72 1wf9 s ARG 11 Ca 0.07 -1.70 -0.03 0.00 -0.52 0.00 0.00 55.73 53.55 1wf9 s ARG 11 Cb -0.10 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.53 1wf9 s ARG 11 CO 0.04 -1.10 0.49 0.14 0.02 0.00 0.00 175.30 174.89 1wf9 s VAL 12 N 1.32 5.09 -0.16 3.52 -7.23 0.42 -2.15 120.40 121.21 1wf9 s VAL 12 Ca 0.05 -0.12 -0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1wf9 s VAL 12 Cb -0.25 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 32.96 1wf9 s VAL 12 CO -0.01 -0.27 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.76 1wf9 s ARG 13 N -3.49 3.22 0.43 4.82 6.06 0.50 0.12 118.95 130.60 1wf9 s ARG 13 Ca 0.42 -0.74 0.06 0.00 -2.50 0.00 0.00 55.73 52.96 1wf9 s ARG 13 Cb -0.11 -2.66 -0.06 0.00 0.06 0.00 0.00 34.95 32.19 1wf9 s ARG 13 CO 0.30 -0.02 0.05 -1.54 -2.50 0.00 0.00 175.30 171.59 1wf9 s SER 14 N 0.91 4.05 0.45 -2.12 1.04 0.29 0.20 113.70 118.52 1wf9 s SER 14 Ca -0.03 -1.37 0.22 0.00 0.48 0.00 0.00 55.95 55.24 1wf9 s SER 14 Cb -0.15 -0.21 1.08 0.00 0.10 0.00 0.00 66.02 66.84 1wf9 s SER 14 CO -0.01 -0.56 1.93 0.08 0.98 0.00 0.00 173.24 175.65 1wf9 h ARG 15 N 1.60 0.00 0.00 4.02 0.11 -1.97 -1.60 114.38 116.54 1wf9 h ARG 15 Ca -0.44 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.61 1wf9 h ARG 15 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 1wf9 h ARG 15 CO 0.77 0.23 -0.42 -0.44 0.10 0.00 0.00 179.97 180.21 1wf9 h ASP 16 N 0.00 0.00 -2.26 0.08 3.32 -1.95 -3.49 116.42 112.12 1wf9 h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wf9 h ASP 16 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1wf9 h ASP 16 CO 0.03 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1wf9 n GLY 17 N 1.16 -0.10 3.69 2.75 0.00 -0.60 -5.09 105.19 107.00 1wf9 n GLY 17 Ca 0.02 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1wf9 n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wf9 s LEU 18 N 0.00 4.26 0.11 0.99 2.96 -1.26 0.10 118.68 125.84 1wf9 s LEU 18 Ca 0.00 1.32 0.10 0.00 -0.22 0.00 0.00 54.13 55.33 1wf9 s LEU 18 Cb 0.00 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1wf9 s LEU 18 CO 0.00 -0.30 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.86 1wf9 s GLU 19 N 1.54 1.38 0.20 1.98 2.02 0.31 -4.92 118.70 121.23 1wf9 s GLU 19 Ca 0.42 -1.27 0.11 0.00 0.02 0.00 0.00 54.97 54.25 1wf9 s GLU 19 Cb -0.18 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1wf9 s GLU 19 CO 0.18 0.43 -0.20 -0.98 0.02 0.00 0.00 175.26 174.71 1wf9 s ARG 20 N -1.91 1.68 -0.10 1.61 1.70 -1.26 0.16 118.95 120.83 1wf9 s ARG 20 Ca 0.12 -1.50 -0.19 0.00 -0.47 0.00 0.00 55.73 53.69 1wf9 s ARG 20 Cb -0.10 -1.92 0.04 0.00 -0.57 0.00 0.00 34.95 32.41 1wf9 s ARG 20 CO 0.05 0.40 0.47 0.08 -1.08 0.00 0.00 175.30 175.22 1wf9 s VAL 21 N -1.81 0.02 -0.06 4.99 1.01 -0.86 -4.96 120.40 118.74 1wf9 s VAL 21 Ca 0.23 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1wf9 s VAL 21 Cb -0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1wf9 s VAL 21 CO 0.12 -0.09 0.45 -0.55 0.00 0.00 0.00 175.10 175.03 1wf9 s SER 22 N -0.61 6.75 0.00 3.32 0.15 -1.26 -1.36 113.70 120.69 1wf9 s SER 22 Ca -0.07 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1wf9 s SER 22 Cb -0.03 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1wf9 s SER 22 CO 0.04 0.15 0.00 1.33 1.20 0.00 0.00 173.24 175.96 1wf9 n VAL 23 N 2.79 0.00 -0.07 4.45 0.24 0.09 -4.97 118.33 120.87 1wf9 n VAL 23 Ca -0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 1wf9 n VAL 23 Cb 0.52 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 1wf9 n VAL 23 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wf9 n ASP 24 N -0.76 1.75 0.00 -1.34 9.92 -1.26 -3.12 116.55 121.75 1wf9 n ASP 24 Ca 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1wf9 n ASP 24 Cb 0.00 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1wf9 n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wf9 n GLY 25 N 1.83 -0.56 0.18 0.44 0.00 -1.26 -4.32 105.19 101.50 1wf9 n GLY 25 Ca -0.15 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.16 1wf9 n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf9 h PRO 26 N 0.00 0.00 0.00 1.61 0.13 -1.96 -2.97 132.00 128.82 1wf9 h PRO 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wf9 h PRO 26 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wf9 h PRO 26 CO 0.00 0.38 0.19 1.12 -0.23 0.00 0.00 178.00 179.46 1wf9 h HIS 27 N 0.00 0.00 -2.74 1.56 2.07 -2.01 -3.40 115.15 110.63 1wf9 h HIS 27 Ca -0.00 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.04 1wf9 h HIS 27 Cb 1.04 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.03 1wf9 h HIS 27 CO 0.00 0.00 -0.20 0.96 -3.07 0.00 0.00 177.93 175.62 1wf9 s ILE 28 N -3.86 5.02 0.40 6.12 -5.25 -1.12 -5.08 121.20 117.43 1wf9 s ILE 28 Ca -0.03 -0.51 0.08 0.00 -0.99 0.00 0.00 60.65 59.20 1wf9 s ILE 28 Cb 0.08 -3.83 -0.04 0.00 2.95 0.00 0.00 42.46 41.63 1wf9 s ILE 28 CO 0.26 -0.52 0.25 0.42 -1.79 0.00 0.00 174.94 173.56 1wf9 s THR 29 N -2.31 2.53 0.40 8.37 -4.23 -1.26 -3.63 115.64 115.50 1wf9 s THR 29 Ca 0.40 -1.56 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1wf9 s THR 29 Cb -0.10 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.12 1wf9 s THR 29 CO 0.36 -0.02 1.82 0.58 -0.54 0.00 0.00 174.62 176.82 1wf9 h VAL 30 N 1.29 0.65 -0.03 2.29 2.07 -0.34 0.18 116.25 122.35 1wf9 h VAL 30 Ca -0.42 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1wf9 h VAL 30 Cb 1.26 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1wf9 h VAL 30 CO 0.65 0.08 -0.14 0.77 0.02 0.00 0.00 177.57 178.95 1wf9 h SER 31 N 0.47 -0.41 -0.35 0.57 4.64 -1.71 0.29 113.55 117.04 1wf9 h SER 31 Ca 0.52 0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.81 1wf9 h SER 31 Cb 1.21 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1wf9 h SER 31 CO -0.23 -0.19 -0.11 1.56 -0.87 0.00 0.00 176.83 176.98 1wf9 h GLN 32 N -0.22 0.78 0.54 4.77 4.20 -1.16 -2.01 115.11 122.02 1wf9 h GLN 32 Ca 0.06 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1wf9 h GLN 32 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1wf9 h GLN 32 CO -0.16 0.86 -0.34 1.25 -0.67 0.00 0.00 178.83 179.77 1wf9 h LEU 33 N 0.71 -0.87 0.04 1.46 6.46 -0.05 -1.16 115.31 121.89 1wf9 h LEU 33 Ca 0.12 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1wf9 h LEU 33 Cb 0.59 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1wf9 h LEU 33 CO 0.04 -0.53 -0.07 0.11 -0.62 0.00 0.00 178.44 177.37 1wf9 h LYS 34 N -0.84 -0.11 -0.68 1.25 1.57 -0.37 -1.76 116.57 115.62 1wf9 h LYS 34 Ca -0.06 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1wf9 h LYS 34 Cb 0.69 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.90 1wf9 h LYS 34 CO 0.05 -0.07 -0.19 2.41 -0.57 0.00 0.00 179.45 181.08 1wf9 n THR 35 N -2.76 -0.30 0.10 -0.16 -1.04 -0.76 0.27 114.28 109.62 1wf9 n THR 35 Ca -0.01 1.57 -0.16 0.00 -2.04 0.00 0.00 64.05 63.41 1wf9 n THR 35 Cb 0.06 -2.16 -0.09 0.00 -1.82 0.00 0.00 70.33 66.31 1wf9 n THR 35 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wf9 h LEU 36 N 0.00 -1.56 0.04 -4.42 3.38 -0.62 0.25 115.31 112.37 1wf9 h LEU 36 Ca 0.31 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1wf9 h LEU 36 Cb 0.48 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wf9 h LEU 36 CO -0.70 -0.55 -0.02 0.40 0.09 0.00 0.00 178.44 177.67 1wf9 h ILE 37 N -0.73 1.14 -1.45 1.22 2.04 0.20 0.18 117.51 120.12 1wf9 h ILE 37 Ca 0.00 -0.55 0.43 0.00 1.00 0.00 0.00 64.86 65.74 1wf9 h ILE 37 Cb 0.75 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 38.25 1wf9 h ILE 37 CO -0.30 0.14 1.00 -0.61 0.00 0.00 0.00 178.15 178.39 1wf9 h GLN 38 N -0.29 0.07 0.00 2.37 -0.00 0.41 1.94 115.11 119.61 1wf9 h GLN 38 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1wf9 h GLN 38 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1wf9 h GLN 38 CO 0.01 0.04 -0.11 0.22 0.00 0.00 0.00 178.83 178.99 1wf9 h ASP 39 N 0.07 0.00 -0.58 -0.69 3.58 -0.03 0.97 116.42 119.74 1wf9 h ASP 39 Ca 0.76 0.00 0.11 0.00 0.42 0.00 0.00 57.03 58.32 1wf9 h ASP 39 Cb 2.72 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 43.66 1wf9 h ASP 39 CO -0.17 0.20 -0.27 1.56 -2.88 0.00 0.00 179.24 177.69 1wf9 h GLN 40 N -0.30 -0.12 0.00 0.28 4.20 0.06 0.65 115.11 119.89 1wf9 h GLN 40 Ca 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1wf9 h GLN 40 Cb 0.11 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1wf9 h GLN 40 CO 0.00 -0.08 -0.05 -0.07 -0.67 0.00 0.00 178.83 177.96 1wf9 h LEU 41 N -0.12 0.00 -1.66 1.46 3.38 0.29 -3.48 115.31 115.18 1wf9 h LEU 41 Ca 0.25 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 1wf9 h LEU 41 Cb 0.52 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.39 1wf9 h LEU 41 CO -0.65 0.05 -0.54 0.00 0.09 0.00 0.00 178.44 177.39 1wf9 n GLN 42 N -3.12 -4.84 -4.66 1.13 1.13 0.23 -4.81 117.38 102.44 1wf9 n GLN 42 Ca 0.03 0.61 -0.24 0.00 -1.94 0.00 0.00 57.00 55.46 1wf9 n GLN 42 Cb 0.49 -4.91 -0.15 0.00 0.11 0.00 0.00 30.24 25.78 1wf9 n GLN 42 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wf9 s ILE 43 N -3.25 1.38 -0.04 5.09 1.01 0.32 -1.56 121.20 124.15 1wf9 s ILE 43 Ca 0.04 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 1wf9 s ILE 43 Cb -0.02 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1wf9 s ILE 43 CO 0.52 0.25 1.21 -2.16 0.00 0.00 0.00 174.94 174.76 1wf9 s PRO 44 N -0.78 4.36 0.14 2.79 0.04 -1.26 -3.99 135.00 136.29 1wf9 s PRO 44 Ca 0.06 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 1wf9 s PRO 44 Cb -0.07 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1wf9 s PRO 44 CO 0.00 -0.43 1.59 0.82 0.04 0.00 0.00 177.00 179.02 1wf9 h ILE 45 N 4.95 0.16 -1.83 0.56 2.04 -1.92 0.89 117.51 122.36 1wf9 h ILE 45 Ca -0.35 0.00 0.53 0.00 1.00 0.00 0.00 64.86 66.04 1wf9 h ILE 45 Cb 1.17 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 1wf9 h ILE 45 CO 0.87 0.00 1.31 0.00 0.00 0.00 0.00 178.15 180.34 1wf9 n HIS 46 N -5.43 0.03 -0.07 1.37 1.44 -1.26 0.19 115.22 111.50 1wf9 n HIS 46 Ca -0.03 0.03 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1wf9 n HIS 46 Cb 0.35 -0.50 -0.12 0.00 0.12 0.00 0.00 29.99 29.84 1wf9 n HIS 46 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wf9 n ASN 47 N -3.83 2.01 -4.56 4.39 4.13 0.16 -4.95 115.26 112.61 1wf9 n ASN 47 Ca 0.42 0.19 -0.41 0.00 1.68 0.00 0.00 54.58 56.45 1wf9 n ASN 47 Cb 1.87 -0.77 0.01 0.00 -1.54 0.00 0.00 39.78 39.35 1wf9 n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wf9 n GLN 48 N -3.74 1.08 -3.69 3.52 6.02 0.51 -3.99 117.38 117.10 1wf9 n GLN 48 Ca -0.39 0.39 -0.29 0.00 -0.01 0.00 0.00 57.00 56.71 1wf9 n GLN 48 Cb 0.93 -1.88 -0.16 0.00 1.02 0.00 0.00 30.24 30.16 1wf9 n GLN 48 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wf9 s THR 49 N -1.33 0.49 -0.16 5.09 2.01 0.17 -4.87 115.64 117.04 1wf9 s THR 49 Ca 0.64 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 1wf9 s THR 49 Cb -0.57 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1wf9 s THR 49 CO 0.57 -0.49 0.69 -0.76 -0.69 0.00 0.00 174.62 173.94 1wf9 s LEU 50 N 1.84 4.19 -0.22 4.42 2.01 -1.26 -2.31 118.68 127.34 1wf9 s LEU 50 Ca 0.05 0.99 -0.24 0.00 0.01 0.00 0.00 54.13 54.95 1wf9 s LEU 50 Cb -0.17 -3.01 0.06 0.00 0.01 0.00 0.00 46.19 43.08 1wf9 s LEU 50 CO -0.20 -0.26 0.66 -0.55 1.01 0.00 0.00 176.35 177.00 1wf9 s SER 51 N 1.08 -0.67 -0.27 2.29 0.15 -1.16 -3.67 113.70 111.45 1wf9 s SER 51 Ca 0.33 1.24 0.01 0.00 0.70 0.00 0.00 55.95 58.22 1wf9 s SER 51 Cb -0.16 1.24 0.28 0.00 -1.71 0.00 0.00 66.02 65.67 1wf9 s SER 51 CO 0.12 -0.28 1.71 0.35 1.20 0.00 0.00 173.24 176.35 1wf9 n THR 52 N 2.49 2.42 -4.12 6.45 -2.24 -1.26 -2.06 114.28 115.96 1wf9 n THR 52 Ca -0.15 -1.29 -0.15 0.00 -2.27 0.00 0.00 64.05 60.20 1wf9 n THR 52 Cb 0.56 -1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 67.66 1wf9 n THR 52 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wf9 s ASN 53 N -0.04 0.81 0.28 3.42 3.84 -1.26 -5.00 114.94 117.00 1wf9 s ASN 53 Ca 0.30 -0.37 0.25 0.00 0.21 0.00 0.00 52.86 53.25 1wf9 s ASN 53 Cb 0.25 -0.01 0.62 0.00 -0.55 0.00 0.00 41.25 41.55 1wf9 s ASN 53 CO 0.03 -0.09 1.69 0.08 -2.79 0.00 0.00 177.10 176.02 1wf9 h ARG 54 N 5.11 0.00 0.00 0.43 -0.00 -1.99 -3.13 114.38 114.80 1wf9 h ARG 54 Ca -0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.64 1wf9 h ARG 54 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.16 1wf9 h ARG 54 CO 0.45 0.00 -0.06 -0.91 -0.00 0.00 0.00 179.97 179.44 1wf9 h ASN 55 N 0.00 0.00 -0.70 0.08 2.35 -1.97 -2.11 115.58 113.22 1wf9 h ASN 55 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1wf9 h ASN 55 Cb 0.83 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.10 1wf9 h ASN 55 CO 0.00 0.06 0.16 0.25 -1.65 0.00 0.00 177.43 176.26 1wf9 h LEU 56 N 0.00 0.01 -2.10 1.61 6.46 -1.93 1.20 115.31 120.55 1wf9 h LEU 56 Ca -0.00 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1wf9 h LEU 56 Cb 0.16 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1wf9 h LEU 56 CO 0.01 -0.02 0.25 -0.07 -0.62 0.00 0.00 178.44 177.99 1wf9 h LEU 57 N 0.27 0.00 -0.04 2.25 3.38 -1.62 -0.14 115.31 119.40 1wf9 h LEU 57 Ca 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1wf9 h LEU 57 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wf9 h LEU 57 CO -0.48 0.00 -0.22 -0.07 0.09 0.00 0.00 178.44 177.76 1wf9 h LEU 58 N 0.00 0.27 -8.22 1.67 3.38 0.13 -3.44 115.31 109.10 1wf9 h LEU 58 Ca 0.14 -0.66 -0.75 0.00 0.09 0.00 0.00 57.88 56.70 1wf9 h LEU 58 Cb 0.64 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1wf9 h LEU 58 CO -0.00 0.88 1.31 0.00 0.09 0.00 0.00 178.44 180.72 1wf9 n ALA 59 N -2.48 0.37 -0.02 1.53 0.00 -0.07 -4.73 120.51 115.12 1wf9 n ALA 59 Ca -0.09 0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1wf9 n ALA 59 Cb 0.45 -2.20 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 1wf9 n ALA 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wf9 n LYS 60 N 7.49 0.87 -3.00 0.00 4.76 -1.26 -4.87 118.16 122.14 1wf9 n LYS 60 Ca 0.50 -0.07 -0.23 0.00 -2.87 0.00 0.00 58.31 55.63 1wf9 n LYS 60 Cb 0.04 -1.24 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 1wf9 n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1wf9 s SER 61 N -3.42 5.89 0.37 4.39 1.04 -1.26 -5.00 113.70 115.72 1wf9 s SER 61 Ca -0.04 0.33 0.20 0.00 0.48 0.00 0.00 55.95 56.92 1wf9 s SER 61 Cb 0.05 -1.61 0.55 0.00 0.10 0.00 0.00 66.02 65.11 1wf9 s SER 61 CO 0.41 -0.66 1.66 1.55 0.98 0.00 0.00 173.24 177.18 1wf9 h PRO 62 N 0.42 0.00 0.05 4.02 0.13 -2.01 -3.04 132.00 131.58 1wf9 h PRO 62 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1wf9 h PRO 62 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1wf9 h PRO 62 CO 0.58 0.35 -1.16 0.77 -0.23 0.00 0.00 178.00 178.30 1wf9 h SER 63 N 0.00 0.16 -0.28 1.44 0.02 -2.00 -3.29 113.55 109.60 1wf9 h SER 63 Ca -0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1wf9 h SER 63 Cb 1.01 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1wf9 h SER 63 CO 0.05 1.15 0.15 -0.78 -1.14 0.00 0.00 176.83 176.25 1wf9 h ASP 64 N 0.03 0.36 -0.11 3.07 1.82 -1.93 -1.40 116.42 118.26 1wf9 h ASP 64 Ca -0.08 -0.10 0.03 0.00 -0.39 0.00 0.00 57.03 56.49 1wf9 h ASP 64 Cb 1.87 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 41.78 1wf9 h ASP 64 CO 0.15 0.36 0.17 -0.26 -1.61 0.00 0.00 179.24 178.05 1wf9 h PHE 65 N 0.34 0.00 0.00 0.28 0.04 -1.61 0.72 116.94 116.71 1wf9 h PHE 65 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1wf9 h PHE 65 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1wf9 h PHE 65 CO -0.03 0.00 0.00 -0.07 -0.60 0.00 0.00 178.31 177.61 1wf9 h LEU 66 N 0.00 0.00 -0.87 1.54 3.38 -1.32 -2.66 115.31 115.38 1wf9 h LEU 66 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1wf9 h LEU 66 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1wf9 h LEU 66 CO -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 178.44 178.02 1wf9 h ALA 67 N 2.34 1.05 -1.99 1.53 0.00 0.50 -3.38 119.26 119.31 1wf9 h ALA 67 Ca 0.00 -0.47 -0.71 0.00 0.00 0.00 0.00 54.91 53.72 1wf9 h ALA 67 Cb 0.53 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.03 1wf9 h ALA 67 CO 0.00 0.65 0.01 -0.06 0.00 0.00 0.00 179.25 179.85 1wf9 s PHE 68 N -3.92 3.07 -0.23 0.00 0.08 -1.00 -4.86 117.98 111.11 1wf9 s PHE 68 Ca -0.03 -0.97 0.10 0.00 0.12 0.00 0.00 56.93 56.15 1wf9 s PHE 68 Cb 0.13 -3.85 0.44 0.00 -0.57 0.00 0.00 43.02 39.17 1wf9 s PHE 68 CO 0.77 -1.17 1.20 0.25 -0.10 0.00 0.00 175.22 176.17 1wf9 n THR 69 N 5.47 2.21 -0.03 0.64 -2.24 -1.26 -4.72 114.28 114.35 1wf9 n THR 69 Ca -0.10 -3.53 -0.13 0.00 -2.27 0.00 0.00 64.05 58.02 1wf9 n THR 69 Cb 0.42 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 1wf9 n THR 69 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wf9 h ASP 70 N 1.54 0.80 -0.92 3.42 5.19 -1.89 -3.33 116.42 121.23 1wf9 h ASP 70 Ca 0.14 -0.45 -0.41 0.00 -0.62 0.00 0.00 57.03 55.68 1wf9 h ASP 70 Cb 1.27 -0.23 -0.41 0.00 0.18 0.00 0.00 39.33 40.14 1wf9 h ASP 70 CO 0.32 1.22 -1.01 0.23 -3.12 0.00 0.00 179.24 176.88 1wf9 n MET 71 N -3.96 2.23 0.06 3.56 2.81 -1.24 -4.81 117.12 115.77 1wf9 n MET 71 Ca -0.04 -3.75 -0.17 0.00 -1.81 0.00 0.00 57.70 51.92 1wf9 n MET 71 Cb 0.65 -1.74 -0.14 0.00 -0.71 0.00 0.00 33.22 31.28 1wf9 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wf9 h ALA 72 N 2.66 0.27 -2.20 3.04 0.00 -1.82 -3.43 119.26 117.78 1wf9 h ALA 72 Ca 0.06 -1.12 -0.56 0.00 0.00 0.00 0.00 54.91 53.29 1wf9 h ALA 72 Cb 1.21 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1wf9 h ALA 72 CO 0.53 1.13 1.02 0.34 0.00 0.00 0.00 179.25 182.28 1wf9 s ASP 73 N -7.00 6.75 0.32 0.00 2.15 -1.26 -4.87 116.67 112.76 1wf9 s ASP 73 Ca -0.10 1.99 0.26 0.00 0.43 0.00 0.00 52.55 55.14 1wf9 s ASP 73 Cb 0.07 -2.53 0.89 0.00 -0.30 0.00 0.00 42.92 41.04 1wf9 s ASP 73 CO 0.85 -0.89 1.76 1.55 -0.17 0.00 0.00 175.17 178.28 1wf9 h PRO 74 N 9.13 0.00 -0.22 4.34 0.13 -1.94 -2.38 132.00 141.06 1wf9 h PRO 74 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1wf9 h PRO 74 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wf9 h PRO 74 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1wf9 n ASN 75 N -2.52 2.52 -4.80 1.44 4.13 -1.26 -2.34 115.26 112.42 1wf9 n ASN 75 Ca 0.03 -1.84 -0.39 0.00 1.68 0.00 0.00 54.58 54.07 1wf9 n ASN 75 Cb 0.36 -0.14 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 1wf9 n ASN 75 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wf9 s LEU 76 N -1.63 4.55 0.16 3.41 0.20 -0.90 -4.90 118.68 119.57 1wf9 s LEU 76 Ca 0.35 1.38 -0.10 0.00 0.69 0.00 0.00 54.13 56.44 1wf9 s LEU 76 Cb 0.20 -3.02 -0.07 0.00 -0.43 0.00 0.00 46.19 42.88 1wf9 s LEU 76 CO 0.29 0.26 0.49 -0.13 -0.29 0.00 0.00 176.35 176.97 1wf9 s ARG 77 N -1.13 3.82 0.48 1.98 3.00 -1.26 0.19 118.95 126.04 1wf9 s ARG 77 Ca 0.31 0.27 0.32 0.00 0.00 0.00 0.00 55.73 56.64 1wf9 s ARG 77 Cb -0.21 -2.84 1.74 0.00 0.00 0.00 0.00 34.95 33.65 1wf9 s ARG 77 CO 0.21 0.44 1.99 -0.84 0.00 0.00 0.00 175.30 177.10 1wf9 h ILE 78 N 2.45 0.00 -0.32 1.52 3.07 -1.76 -0.58 117.51 121.89 1wf9 h ILE 78 Ca -0.48 -0.02 0.04 0.00 1.55 0.00 0.00 64.86 65.95 1wf9 h ILE 78 Cb 1.18 0.75 -0.02 0.00 -0.27 0.00 0.00 36.82 38.47 1wf9 h ILE 78 CO 0.68 0.00 0.22 0.77 -1.05 0.00 0.00 178.15 178.77 1wf9 h SER 79 N 0.00 0.24 -0.73 2.16 4.64 -1.86 0.52 113.55 118.52 1wf9 h SER 79 Ca 0.00 -0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1wf9 h SER 79 Cb 0.02 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1wf9 h SER 79 CO 0.00 0.16 0.54 -1.28 -0.87 0.00 0.00 176.83 175.39 1wf9 h SER 80 N 0.27 0.00 0.00 4.97 0.87 -1.50 0.29 113.55 118.46 1wf9 h SER 80 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1wf9 h SER 80 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1wf9 h SER 80 CO -0.03 0.00 -1.43 0.18 -0.53 0.00 0.00 176.83 175.02 1wf9 n LEU 81 N -4.23 0.03 -2.94 2.23 4.77 0.00 -5.03 117.00 111.84 1wf9 n LEU 81 Ca 0.15 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1wf9 n LEU 81 Cb 0.82 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.97 1wf9 n LEU 81 CO 0.37 0.01 0.05 -3.20 -1.33 0.00 0.00 177.39 173.29 1wf9 n ASN 82 N -1.83 -4.04 -4.55 -1.43 5.15 0.16 -4.89 115.26 103.83 1wf9 n ASN 82 Ca -0.02 -0.54 -0.39 0.00 -0.60 0.00 0.00 54.58 53.03 1wf9 n ASN 82 Cb 0.27 -4.28 -0.03 0.00 -0.53 0.00 0.00 39.78 35.21 1wf9 n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wf9 s LEU 83 N -5.21 3.25 0.72 1.20 2.01 -1.18 -4.97 118.68 114.50 1wf9 s LEU 83 Ca 0.20 -0.35 -0.04 0.00 0.01 0.00 0.00 54.13 53.95 1wf9 s LEU 83 Cb -0.03 -2.55 0.10 0.00 0.01 0.00 0.00 46.19 43.73 1wf9 s LEU 83 CO 0.59 -2.05 1.01 0.00 1.01 0.00 0.00 176.35 176.91 1wf9 s ALA 84 N 7.11 3.37 -0.64 4.21 0.00 -1.26 -4.89 121.76 129.66 1wf9 s ALA 84 Ca 0.50 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 1wf9 s ALA 84 Cb -0.08 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.68 1wf9 s ALA 84 CO 0.12 -1.44 2.19 -1.58 0.00 0.00 0.00 175.76 175.06 1wf9 s HIS 85 N -3.21 1.35 0.00 0.00 2.46 -1.26 -0.68 115.29 113.95 1wf9 s HIS 85 Ca 0.64 1.30 0.00 0.00 0.47 0.00 0.00 55.06 57.48 1wf9 s HIS 85 Cb -0.07 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1wf9 s HIS 85 CO 0.45 -2.18 0.00 0.41 -2.47 0.00 0.00 174.74 170.95 1wf9 n GLY 86 N 6.19 1.40 3.17 1.59 0.00 -1.19 -5.00 105.19 111.35 1wf9 n GLY 86 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 1wf9 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf9 n SER 87 N 0.00 -3.49 -4.50 1.61 7.64 0.15 -4.68 113.62 110.35 1wf9 n SER 87 Ca 0.00 0.10 -0.31 0.00 1.01 0.00 0.00 58.87 59.67 1wf9 n SER 87 Cb 0.00 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.23 1wf9 n SER 87 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1wf9 s MET 88 N -2.73 2.20 0.11 1.43 -2.45 -1.26 -3.30 119.30 113.29 1wf9 s MET 88 Ca 0.47 -0.92 -0.16 0.00 -1.25 0.00 0.00 55.69 53.83 1wf9 s MET 88 Cb -0.10 -2.27 0.03 0.00 1.25 0.00 0.00 34.83 33.74 1wf9 s MET 88 CO 0.71 0.55 0.40 0.54 1.05 0.00 0.00 175.02 178.27 1wf9 s VAL 89 N -0.95 0.07 -0.07 10.11 0.11 -0.91 -4.86 120.40 123.89 1wf9 s VAL 89 Ca 0.15 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1wf9 s VAL 89 Cb -0.11 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1wf9 s VAL 89 CO 0.06 -0.32 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.03 1wf9 s TYR 90 N -3.61 1.89 -0.30 1.54 2.02 -0.88 0.19 117.35 118.20 1wf9 s TYR 90 Ca 0.02 -0.69 -0.04 0.00 -0.37 0.00 0.00 57.07 55.99 1wf9 s TYR 90 Cb 0.02 -1.30 0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1wf9 s TYR 90 CO -0.11 -0.29 0.03 -1.17 -1.57 0.00 0.00 175.55 172.45 1wf9 s LEU 91 N 0.38 3.89 -0.20 -1.29 2.96 0.53 -3.00 118.68 121.94 1wf9 s LEU 91 Ca -0.13 -1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 52.70 1wf9 s LEU 91 Cb -0.15 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1wf9 s LEU 91 CO 0.05 -0.25 -0.13 0.00 -1.32 0.00 0.00 176.35 174.71 1wf9 s ALA 92 N 1.35 2.55 0.35 5.97 0.00 -0.98 -4.22 121.76 126.79 1wf9 s ALA 92 Ca -0.02 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1wf9 s ALA 92 Cb -0.19 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1wf9 s ALA 92 CO 0.00 -0.38 0.13 1.52 0.00 0.00 0.00 175.76 177.03 1wf9 s TYR 93 N 1.37 1.74 -0.06 0.00 1.13 -1.26 -0.66 117.35 119.61 1wf9 s TYR 93 Ca 0.05 -1.28 0.04 0.00 -1.41 0.00 0.00 57.07 54.48 1wf9 s TYR 93 Cb -0.14 -1.04 -0.02 0.00 -1.10 0.00 0.00 41.96 39.66 1wf9 s TYR 93 CO -0.08 -0.35 -0.17 -1.83 -2.51 0.00 0.00 175.55 170.60 1wf9 s GLU 94 N -3.78 2.56 0.57 -3.49 -1.05 -1.26 -5.00 118.70 107.25 1wf9 s GLU 94 Ca 0.31 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 1wf9 s GLU 94 Cb 0.05 -2.34 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 1wf9 s GLU 94 CO 0.16 0.54 0.00 0.41 0.95 0.00 0.00 175.26 177.32 1wf9 n GLY 95 N 2.55 -2.22 2.91 -3.83 0.00 -1.26 -4.97 105.19 98.37 1wf9 n GLY 95 Ca -0.17 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 1wf9 n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wf9 n GLU 96 N -0.31 -0.16 -2.32 1.61 1.02 -1.26 -5.09 120.64 114.14 1wf9 n GLU 96 Ca 0.00 -1.93 -0.28 0.00 -0.02 0.00 0.00 57.16 54.93 1wf9 n GLU 96 Cb 0.00 -0.61 0.01 0.00 -0.02 0.00 0.00 31.44 30.82 1wf9 n GLU 96 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wf9 s ARG 97 N -4.59 3.36 0.00 3.49 0.52 -1.26 -4.95 118.95 115.52 1wf9 s ARG 97 Ca 0.51 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 1wf9 s ARG 97 Cb -0.03 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1wf9 s ARG 97 CO 0.34 -0.48 0.00 0.25 0.02 0.00 0.00 175.30 175.43 1wf9 n THR 98 N -2.53 0.00 -3.65 0.02 -2.24 -0.60 -5.04 114.28 100.25 1wf9 n THR 98 Ca 0.03 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1wf9 n THR 98 Cb 0.56 -1.99 -0.11 0.00 -2.10 0.00 0.00 70.33 66.69 1wf9 n THR 98 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wf9 s ILE 99 N -0.78 5.19 0.70 2.28 1.01 -1.26 -5.01 121.20 123.33 1wf9 s ILE 99 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 1wf9 s ILE 99 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1wf9 s ILE 99 CO 0.00 0.30 0.85 -2.11 0.00 0.00 0.00 174.94 173.98 1wf9 n ARG 100 N 4.73 0.51 0.00 2.79 1.85 -1.26 -4.85 116.66 120.43 1wf9 n ARG 100 Ca -0.15 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1wf9 n ARG 100 Cb 0.52 -2.10 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 1wf9 n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wf9 n GLY 101 N 1.28 2.24 2.84 2.89 0.00 -1.26 -5.05 105.19 108.14 1wf9 n GLY 101 Ca 0.12 -2.05 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1wf9 n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf9 s SER 102 N 0.00 1.79 -0.04 1.61 0.15 -1.26 -5.12 113.70 110.82 1wf9 s SER 102 Ca 0.00 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 1wf9 s SER 102 Cb 0.00 -0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 1wf9 s SER 102 CO 0.00 -0.14 1.11 -0.83 1.20 0.00 0.00 173.24 174.58 1wf9 s GLY 103 N 1.74 2.35 0.90 9.45 0.00 -1.26 -5.03 107.32 115.46 1wf9 s GLY 103 Ca 0.03 0.57 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 1wf9 s GLY 103 CO -0.06 2.02 1.13 2.56 0.00 0.00 0.00 173.10 178.76 1wf9 s PRO 104 N 1.79 1.21 -0.04 2.90 0.04 -1.26 -5.08 135.00 134.56 1wf9 s PRO 104 Ca 0.54 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 1wf9 s PRO 104 Cb -0.23 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wf9 s PRO 104 CO 0.23 -2.16 0.04 0.45 0.04 0.00 0.00 177.00 175.60 1wf9 s SER 105 N -4.02 0.94 0.11 6.66 0.15 -1.26 -5.13 113.70 111.15 1wf9 s SER 105 Ca 0.64 0.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.02 1wf9 s SER 105 Cb -0.15 -0.18 -0.06 0.00 -1.71 0.00 0.00 66.02 63.92 1wf9 s SER 105 CO 0.53 -0.20 1.08 -0.55 1.20 0.00 0.00 173.24 175.30 1wf9 s SER 106 N 1.82 7.29 0.00 5.45 0.15 -1.26 -5.36 113.70 121.78 1wf9 s SER 106 Ca 0.01 1.94 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1wf9 s SER 106 Cb -0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1wf9 s SER 106 CO -0.03 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.76